USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 731 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 55 TYR OH : rot 60:sc= 0.812 USER MOD Set 1.2: A 69 THR OG1 : rot -86:sc= 0.0727 USER MOD Set 1.3: A 80 TYR OH : rot -37:sc= 0.445 USER MOD Set 2.1: A 26 THR OG1 : rot -44:sc= 1.37 USER MOD Set 2.2: A 68 HIS : no HD1:sc= 0.893 K(o=2.3,f=-4.5!) USER MOD Single : A 12 MET CE :methyl -176:sc= -0.554 (180deg=-0.575) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HE2:sc= -0.636 K(o=-0.64,f=-2.3!) USER MOD Single : A 17 TYR OH : rot 30:sc= 0.0374 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -124:sc=-0.00353 (180deg=-0.59) USER MOD Single : A 28 THR OG1 : rot 33:sc= 0.797 USER MOD Single : A 29 CYS SG : rot 17:sc= -0.399 USER MOD Single : A 34 ASN : amide:sc= -0.0359 K(o=-0.036,f=-1.8!) USER MOD Single : A 36 LYS NZ :NH3+ 164:sc= 0.953 (180deg=0.559) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 1.88 (180deg=1.78) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0.415 USER MOD Single : A 54 HIS : no HD1:sc= -0.0268 K(o=-0.027,f=-1.6!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0942 X(o=-0.094,f=-0.13) USER MOD Single : A 64 THR OG1 : rot -160:sc= 0.379 USER MOD Single : A 65 CYS SG : rot 15:sc= 0.815 USER MOD Single : A 66 SER OG : rot 31:sc= 0.0601 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 100:sc= 0 USER MOD Single : A 73 THR OG1 : rot -56:sc= 0.854 USER MOD Single : A 79 ASN : amide:sc= -0.0233 K(o=-0.023,f=-2.1!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 169:sc= 0 (180deg=-0.139) USER MOD Single : A 86 ASN : amide:sc= -0.533! C(o=-0.53!,f=-9.8!) USER MOD Single : A 88 GLN : amide:sc= -0.0383 X(o=-0.038,f=-0.071) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -164:sc= -0.0417 (180deg=-0.373) USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 -1.679 9.930 3.768 1.00 0.00 N ATOM 67 CA ALA A 7 -3.082 10.218 3.496 1.00 0.00 C ATOM 68 C ALA A 7 -3.624 11.271 4.455 1.00 0.00 C ATOM 69 O ALA A 7 -3.155 11.394 5.587 1.00 0.00 O ATOM 70 CB ALA A 7 -3.912 8.945 3.581 1.00 0.00 C ATOM 0 HA ALA A 7 -3.153 10.616 2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.957 9.178 3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.549 8.225 2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.825 8.520 4.581 1.00 0.00 H new ATOM 76 N PRO A 8 -4.613 12.029 3.995 1.00 0.00 N ATOM 77 CA PRO A 8 -5.195 13.100 4.797 1.00 0.00 C ATOM 78 C PRO A 8 -5.901 12.543 6.029 1.00 0.00 C ATOM 79 O PRO A 8 -6.625 11.550 5.945 1.00 0.00 O ATOM 80 CB PRO A 8 -6.167 13.798 3.842 1.00 0.00 C ATOM 81 CG PRO A 8 -6.463 12.774 2.800 1.00 0.00 C ATOM 82 CD PRO A 8 -5.187 11.992 2.637 1.00 0.00 C ATOM 0 HA PRO A 8 -4.447 13.789 5.189 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.074 14.113 4.358 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.722 14.692 3.405 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.284 12.127 3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.760 13.242 1.862 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.376 10.971 2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.523 12.448 1.903 1.00 0.00 H new ATOM 90 N PHE A 9 -5.686 13.185 7.171 1.00 0.00 N ATOM 91 CA PHE A 9 -6.300 12.756 8.420 1.00 0.00 C ATOM 92 C PHE A 9 -6.509 13.932 9.364 1.00 0.00 C ATOM 93 O PHE A 9 -5.564 14.633 9.719 1.00 0.00 O ATOM 94 CB PHE A 9 -5.441 11.686 9.097 1.00 0.00 C ATOM 95 CG PHE A 9 -5.958 11.255 10.439 1.00 0.00 C ATOM 96 CD1 PHE A 9 -7.015 10.362 10.539 1.00 0.00 C ATOM 97 CD2 PHE A 9 -5.388 11.740 11.607 1.00 0.00 C ATOM 98 CE1 PHE A 9 -7.491 9.965 11.773 1.00 0.00 C ATOM 99 CE2 PHE A 9 -5.861 11.344 12.842 1.00 0.00 C ATOM 100 CZ PHE A 9 -6.914 10.456 12.926 1.00 0.00 C ATOM 0 H PHE A 9 -5.089 14.007 7.257 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.276 12.332 8.184 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.380 10.815 8.444 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.427 12.068 9.214 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.471 9.973 9.641 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.564 12.436 11.549 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.315 9.270 11.836 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -5.407 11.729 13.743 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.285 10.146 13.892 1.00 0.00 H new ATOM 110 N PHE A 10 -7.760 14.143 9.769 1.00 0.00 N ATOM 111 CA PHE A 10 -8.098 15.234 10.674 1.00 0.00 C ATOM 112 C PHE A 10 -7.566 14.970 12.078 1.00 0.00 C ATOM 113 O PHE A 10 -8.287 14.466 12.938 1.00 0.00 O ATOM 114 CB PHE A 10 -9.612 15.445 10.715 1.00 0.00 C ATOM 115 CG PHE A 10 -10.196 15.902 9.408 1.00 0.00 C ATOM 116 CD1 PHE A 10 -10.018 17.205 8.970 1.00 0.00 C ATOM 117 CD2 PHE A 10 -10.924 15.029 8.615 1.00 0.00 C ATOM 118 CE1 PHE A 10 -10.555 17.627 7.770 1.00 0.00 C ATOM 119 CE2 PHE A 10 -11.462 15.447 7.413 1.00 0.00 C ATOM 120 CZ PHE A 10 -11.277 16.746 6.990 1.00 0.00 C ATOM 0 H PHE A 10 -8.555 13.571 9.483 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.625 16.140 10.296 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -10.092 14.512 11.010 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.846 16.181 11.484 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -9.452 17.899 9.575 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -11.072 14.010 8.940 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -10.410 18.646 7.442 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -12.027 14.756 6.805 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.696 17.074 6.050 1.00 0.00 H new ATOM 130 N GLU A 11 -6.302 15.310 12.299 1.00 0.00 N ATOM 131 CA GLU A 11 -5.692 15.174 13.615 1.00 0.00 C ATOM 132 C GLU A 11 -6.291 16.166 14.605 1.00 0.00 C ATOM 133 O GLU A 11 -6.120 16.032 15.816 1.00 0.00 O ATOM 134 CB GLU A 11 -4.177 15.369 13.525 1.00 0.00 C ATOM 135 CG GLU A 11 -3.747 16.774 13.126 1.00 0.00 C ATOM 136 CD GLU A 11 -2.251 16.917 13.160 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.596 16.009 13.613 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.755 17.884 12.633 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.679 15.682 11.582 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.898 14.166 13.976 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.734 15.127 14.491 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.774 14.660 12.802 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.113 16.998 12.124 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.199 17.501 13.801 1.00 0.00 H new ATOM 145 N MET A 12 -6.997 17.164 14.083 1.00 0.00 N ATOM 146 CA MET A 12 -7.849 18.015 14.903 1.00 0.00 C ATOM 147 C MET A 12 -9.185 18.278 14.221 1.00 0.00 C ATOM 148 O MET A 12 -9.272 19.095 13.303 1.00 0.00 O ATOM 149 CB MET A 12 -7.142 19.334 15.207 1.00 0.00 C ATOM 150 CG MET A 12 -7.910 20.259 16.141 1.00 0.00 C ATOM 151 SD MET A 12 -7.022 21.792 16.487 1.00 0.00 S ATOM 152 CE MET A 12 -7.289 22.689 14.961 1.00 0.00 C ATOM 0 H MET A 12 -6.995 17.403 13.091 1.00 0.00 H new ATOM 0 HA MET A 12 -8.046 17.493 15.839 1.00 0.00 H new ATOM 0 HB2 MET A 12 -6.169 19.117 15.649 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.956 19.857 14.269 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.877 20.496 15.697 1.00 0.00 H new ATOM 0 HG3 MET A 12 -8.109 19.739 17.078 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.740 23.630 14.992 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.936 22.091 14.121 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.353 22.893 14.840 1.00 0.00 H new ATOM 162 N LYS A 13 -10.223 17.583 14.673 1.00 0.00 N ATOM 163 CA LYS A 13 -11.522 17.631 14.015 1.00 0.00 C ATOM 164 C LYS A 13 -12.368 18.785 14.548 1.00 0.00 C ATOM 165 O LYS A 13 -12.022 19.405 15.552 1.00 0.00 O ATOM 166 CB LYS A 13 -12.264 16.306 14.198 1.00 0.00 C ATOM 167 CG LYS A 13 -11.627 15.124 13.478 1.00 0.00 C ATOM 168 CD LYS A 13 -12.429 13.849 13.688 1.00 0.00 C ATOM 169 CE LYS A 13 -11.786 12.666 12.980 1.00 0.00 C ATOM 170 NZ LYS A 13 -12.564 11.412 13.174 1.00 0.00 N1+ ATOM 0 H LYS A 13 -10.189 16.979 15.494 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.351 17.797 12.951 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.321 16.079 15.263 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.287 16.424 13.842 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -11.557 15.340 12.412 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.610 14.980 13.842 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.507 13.638 14.755 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.444 13.990 13.316 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.705 12.881 11.915 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.772 12.526 13.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.092 10.630 12.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.620 11.192 14.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.524 11.536 12.793 1.00 0.00 H new ATOM 184 N LEU A 14 -13.472 19.066 13.864 1.00 0.00 N ATOM 185 CA LEU A 14 -14.402 20.095 14.305 1.00 0.00 C ATOM 186 C LEU A 14 -15.356 19.558 15.361 1.00 0.00 C ATOM 187 O LEU A 14 -15.684 18.372 15.370 1.00 0.00 O ATOM 188 CB LEU A 14 -15.184 20.650 13.108 1.00 0.00 C ATOM 189 CG LEU A 14 -14.335 21.351 12.040 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.200 21.713 10.839 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.693 22.594 12.636 1.00 0.00 C ATOM 0 H LEU A 14 -13.743 18.594 13.001 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.826 20.903 14.755 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.726 19.830 12.637 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.929 21.355 13.477 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.548 20.677 11.702 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.588 22.210 10.086 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.631 20.806 10.415 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.000 22.382 11.155 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.090 23.092 11.877 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.471 23.274 12.985 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -13.058 22.309 13.475 1.00 0.00 H new ATOM 203 N LYS A 15 -15.805 20.437 16.253 1.00 0.00 N ATOM 204 CA LYS A 15 -16.786 20.072 17.266 1.00 0.00 C ATOM 205 C LYS A 15 -18.164 20.624 16.923 1.00 0.00 C ATOM 206 O LYS A 15 -18.299 21.485 16.055 1.00 0.00 O ATOM 207 CB LYS A 15 -16.346 20.572 18.642 1.00 0.00 C ATOM 208 CG LYS A 15 -15.018 20.003 19.123 1.00 0.00 C ATOM 209 CD LYS A 15 -14.682 20.491 20.525 1.00 0.00 C ATOM 210 CE LYS A 15 -13.389 19.869 21.032 1.00 0.00 C ATOM 211 NZ LYS A 15 -13.059 20.321 22.412 1.00 0.00 N1+ ATOM 0 H LYS A 15 -15.502 21.410 16.293 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.852 18.984 17.290 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.273 21.659 18.614 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.119 20.324 19.370 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.063 18.914 19.116 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.225 20.294 18.435 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.589 21.577 20.522 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.498 20.243 21.204 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -13.479 18.783 21.017 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -12.572 20.130 20.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -12.172 19.875 22.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.948 21.355 22.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -13.826 20.049 23.059 1.00 0.00 H new ATOM 225 N HIS A 16 -19.185 20.124 17.613 1.00 0.00 N ATOM 226 CA HIS A 16 -20.527 20.680 17.506 1.00 0.00 C ATOM 227 C HIS A 16 -20.583 22.090 18.081 1.00 0.00 C ATOM 228 O HIS A 16 -20.478 22.279 19.296 1.00 0.00 O ATOM 229 CB HIS A 16 -21.545 19.783 18.216 1.00 0.00 C ATOM 230 CG HIS A 16 -22.960 20.246 18.070 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.016 19.623 18.702 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.495 21.270 17.363 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.140 20.246 18.392 1.00 0.00 C ATOM 234 NE2 HIS A 16 -24.851 21.248 17.581 1.00 0.00 N ATOM 0 H HIS A 16 -19.107 19.333 18.253 1.00 0.00 H new ATOM 0 HA HIS A 16 -20.782 20.729 16.447 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.461 18.770 17.822 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.296 19.734 19.276 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -23.941 18.809 19.313 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -22.956 21.972 16.744 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.127 19.981 18.742 1.00 0.00 H new ATOM 242 N TYR A 17 -20.751 23.076 17.211 1.00 0.00 N ATOM 243 CA TYR A 17 -20.693 24.476 17.612 1.00 0.00 C ATOM 244 C TYR A 17 -22.089 25.065 17.767 1.00 0.00 C ATOM 245 O TYR A 17 -23.010 24.705 17.034 1.00 0.00 O ATOM 246 CB TYR A 17 -19.889 25.291 16.596 1.00 0.00 C ATOM 247 CG TYR A 17 -18.476 24.795 16.393 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.549 24.849 17.423 1.00 0.00 C ATOM 249 CD2 TYR A 17 -18.070 24.276 15.171 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.255 24.398 17.244 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.779 23.822 14.981 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.874 23.885 16.021 1.00 0.00 C ATOM 253 OH TYR A 17 -14.587 23.436 15.837 1.00 0.00 O ATOM 0 H TYR A 17 -20.930 22.932 16.217 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.194 24.524 18.580 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.410 25.275 15.639 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.855 26.330 16.924 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.843 25.250 18.381 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.776 24.226 14.355 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.546 24.447 18.057 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.480 23.420 14.024 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.233 23.101 16.687 1.00 0.00 H new ATOM 263 N LYS A 18 -22.237 25.975 18.723 1.00 0.00 N ATOM 264 CA LYS A 18 -23.502 26.668 18.930 1.00 0.00 C ATOM 265 C LYS A 18 -23.283 28.159 19.147 1.00 0.00 C ATOM 266 O LYS A 18 -22.351 28.568 19.840 1.00 0.00 O ATOM 267 CB LYS A 18 -24.253 26.069 20.121 1.00 0.00 C ATOM 268 CG LYS A 18 -24.742 24.643 19.903 1.00 0.00 C ATOM 269 CD LYS A 18 -25.582 24.161 21.077 1.00 0.00 C ATOM 270 CE LYS A 18 -26.057 22.731 20.867 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.886 22.248 22.004 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.496 26.250 19.367 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.104 26.538 18.031 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.600 26.087 20.993 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -25.109 26.703 20.351 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.331 24.594 18.987 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.888 23.980 19.768 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.997 24.221 21.995 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.443 24.817 21.205 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.636 22.673 19.945 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.194 22.077 20.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -27.189 21.270 21.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.326 22.279 22.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.723 22.857 22.107 1.00 0.00 H new ATOM 285 N ILE A 19 -24.152 28.971 18.551 1.00 0.00 N ATOM 286 CA ILE A 19 -24.024 30.422 18.637 1.00 0.00 C ATOM 287 C ILE A 19 -25.389 31.096 18.606 1.00 0.00 C ATOM 288 O ILE A 19 -26.344 30.566 18.037 1.00 0.00 O ATOM 289 CB ILE A 19 -23.161 30.983 17.492 1.00 0.00 C ATOM 290 CG1 ILE A 19 -22.703 32.407 17.818 1.00 0.00 C ATOM 291 CG2 ILE A 19 -23.931 30.956 16.182 1.00 0.00 C ATOM 292 CD1 ILE A 19 -21.681 32.481 18.929 1.00 0.00 C ATOM 0 H ILE A 19 -24.951 28.649 18.004 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.535 30.638 19.587 1.00 0.00 H new ATOM 0 HB ILE A 19 -22.278 30.353 17.383 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -22.282 32.858 16.919 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -23.572 33.003 18.096 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -23.306 31.356 15.384 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -24.209 29.929 15.945 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -24.831 31.563 16.277 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -21.406 33.522 19.102 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -22.104 32.061 19.841 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -20.794 31.914 18.646 1.00 0.00 H new ATOM 304 N PHE A 20 -25.478 32.272 19.222 1.00 0.00 N ATOM 305 CA PHE A 20 -26.679 33.093 19.136 1.00 0.00 C ATOM 306 C PHE A 20 -26.729 33.860 17.822 1.00 0.00 C ATOM 307 O PHE A 20 -25.696 34.271 17.293 1.00 0.00 O ATOM 308 CB PHE A 20 -26.747 34.064 20.315 1.00 0.00 C ATOM 309 CG PHE A 20 -27.192 33.427 21.600 1.00 0.00 C ATOM 310 CD1 PHE A 20 -28.524 33.105 21.807 1.00 0.00 C ATOM 311 CD2 PHE A 20 -26.278 33.148 22.605 1.00 0.00 C ATOM 312 CE1 PHE A 20 -28.936 32.519 22.988 1.00 0.00 C ATOM 313 CE2 PHE A 20 -26.687 32.561 23.789 1.00 0.00 C ATOM 314 CZ PHE A 20 -28.015 32.247 23.981 1.00 0.00 C ATOM 0 H PHE A 20 -24.731 32.677 19.786 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.542 32.428 19.174 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.764 34.510 20.463 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -27.431 34.875 20.066 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -29.249 33.315 21.035 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -25.236 33.392 22.462 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -29.977 32.274 23.135 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -25.965 32.349 24.564 1.00 0.00 H new ATOM 0 HZ PHE A 20 -28.335 31.789 24.905 1.00 0.00 H new ATOM 324 N GLU A 21 -27.936 34.052 17.299 1.00 0.00 N ATOM 325 CA GLU A 21 -28.116 34.703 16.007 1.00 0.00 C ATOM 326 C GLU A 21 -27.443 36.069 15.978 1.00 0.00 C ATOM 327 O GLU A 21 -27.706 36.920 16.826 1.00 0.00 O ATOM 328 CB GLU A 21 -29.604 34.845 15.680 1.00 0.00 C ATOM 329 CG GLU A 21 -29.894 35.431 14.305 1.00 0.00 C ATOM 330 CD GLU A 21 -31.371 35.577 14.073 1.00 0.00 C ATOM 331 OE1 GLU A 21 -32.129 35.178 14.924 1.00 0.00 O ATOM 332 OE2 GLU A 21 -31.742 36.188 13.099 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.804 33.766 17.751 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.645 34.075 15.251 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -30.074 33.864 15.750 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -30.071 35.476 16.436 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.412 36.404 14.213 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.465 34.789 13.536 1.00 0.00 H new ATOM 339 N GLY A 22 -26.569 36.270 14.997 1.00 0.00 N ATOM 340 CA GLY A 22 -25.974 37.578 14.760 1.00 0.00 C ATOM 341 C GLY A 22 -24.535 37.628 15.259 1.00 0.00 C ATOM 342 O GLY A 22 -23.762 38.506 14.874 1.00 0.00 O ATOM 0 H GLY A 22 -26.258 35.542 14.354 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -26.000 37.804 13.694 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.563 38.345 15.263 1.00 0.00 H new ATOM 346 N MET A 23 -24.179 36.680 16.120 1.00 0.00 N ATOM 347 CA MET A 23 -22.866 36.670 16.749 1.00 0.00 C ATOM 348 C MET A 23 -21.822 36.028 15.846 1.00 0.00 C ATOM 349 O MET A 23 -22.148 35.185 15.008 1.00 0.00 O ATOM 350 CB MET A 23 -22.928 35.933 18.086 1.00 0.00 C ATOM 351 CG MET A 23 -23.815 36.599 19.129 1.00 0.00 C ATOM 352 SD MET A 23 -23.204 38.221 19.630 1.00 0.00 S ATOM 353 CE MET A 23 -21.768 37.759 20.594 1.00 0.00 C ATOM 0 H MET A 23 -24.784 35.907 16.398 1.00 0.00 H new ATOM 0 HA MET A 23 -22.570 37.705 16.922 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.290 34.920 17.912 1.00 0.00 H new ATOM 0 HB3 MET A 23 -21.918 35.847 18.487 1.00 0.00 H new ATOM 0 HG2 MET A 23 -24.824 36.703 18.729 1.00 0.00 H new ATOM 0 HG3 MET A 23 -23.884 35.955 20.006 1.00 0.00 H new ATOM 0 HE1 MET A 23 -21.849 38.185 21.594 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.712 36.673 20.665 1.00 0.00 H new ATOM 0 HE3 MET A 23 -20.868 38.138 20.110 1.00 0.00 H new ATOM 363 N PRO A 24 -20.570 36.434 16.014 1.00 0.00 N ATOM 364 CA PRO A 24 -19.470 35.877 15.234 1.00 0.00 C ATOM 365 C PRO A 24 -19.106 34.478 15.715 1.00 0.00 C ATOM 366 O PRO A 24 -19.302 34.142 16.881 1.00 0.00 O ATOM 367 CB PRO A 24 -18.326 36.874 15.435 1.00 0.00 C ATOM 368 CG PRO A 24 -18.569 37.452 16.788 1.00 0.00 C ATOM 369 CD PRO A 24 -20.066 37.520 16.928 1.00 0.00 C ATOM 0 HA PRO A 24 -19.719 35.754 14.180 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.355 36.381 15.382 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.333 37.647 14.666 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.129 36.829 17.567 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.120 38.441 16.880 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.378 37.350 17.959 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.450 38.497 16.635 1.00 0.00 H new ATOM 377 N VAL A 25 -18.571 33.666 14.808 1.00 0.00 N ATOM 378 CA VAL A 25 -18.165 32.305 15.142 1.00 0.00 C ATOM 379 C VAL A 25 -16.805 31.975 14.541 1.00 0.00 C ATOM 380 O VAL A 25 -16.600 32.113 13.335 1.00 0.00 O ATOM 381 CB VAL A 25 -19.196 31.270 14.654 1.00 0.00 C ATOM 382 CG1 VAL A 25 -18.803 29.871 15.108 1.00 0.00 C ATOM 383 CG2 VAL A 25 -20.586 31.621 15.161 1.00 0.00 C ATOM 0 H VAL A 25 -18.409 33.927 13.835 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.102 32.254 16.229 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.211 31.289 13.564 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -19.543 29.153 14.754 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.825 29.617 14.698 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.759 29.841 16.197 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -21.301 30.879 14.806 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -20.584 31.631 16.251 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -20.871 32.605 14.790 1.00 0.00 H new ATOM 393 N THR A 26 -15.879 31.540 15.390 1.00 0.00 N ATOM 394 CA THR A 26 -14.544 31.161 14.937 1.00 0.00 C ATOM 395 C THR A 26 -14.265 29.688 15.218 1.00 0.00 C ATOM 396 O THR A 26 -14.413 29.225 16.349 1.00 0.00 O ATOM 397 CB THR A 26 -13.455 32.018 15.607 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.676 33.401 15.302 1.00 0.00 O ATOM 399 CG2 THR A 26 -12.076 31.609 15.114 1.00 0.00 C ATOM 0 H THR A 26 -16.028 31.441 16.394 1.00 0.00 H new ATOM 0 HA THR A 26 -14.516 31.334 13.861 1.00 0.00 H new ATOM 0 HB THR A 26 -13.505 31.864 16.685 1.00 0.00 H new ATOM 0 HG1 THR A 26 -13.892 33.496 14.351 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.319 32.226 15.598 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.899 30.561 15.355 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.020 31.747 14.034 1.00 0.00 H new ATOM 407 N PHE A 27 -13.861 28.962 14.186 1.00 0.00 N ATOM 408 CA PHE A 27 -13.476 27.561 14.336 1.00 0.00 C ATOM 409 C PHE A 27 -12.453 27.154 13.281 1.00 0.00 C ATOM 410 O PHE A 27 -12.377 27.762 12.214 1.00 0.00 O ATOM 411 CB PHE A 27 -14.706 26.655 14.252 1.00 0.00 C ATOM 412 CG PHE A 27 -15.533 26.871 13.016 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.464 27.897 12.955 1.00 0.00 C ATOM 414 CD2 PHE A 27 -15.382 26.046 11.911 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.225 28.095 11.821 1.00 0.00 C ATOM 416 CE2 PHE A 27 -16.141 26.242 10.774 1.00 0.00 C ATOM 417 CZ PHE A 27 -17.063 27.266 10.729 1.00 0.00 C ATOM 0 H PHE A 27 -13.790 29.318 13.233 1.00 0.00 H new ATOM 0 HA PHE A 27 -13.017 27.445 15.318 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -14.383 25.615 14.285 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -15.330 26.823 15.130 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -16.595 28.549 13.806 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -14.663 25.241 11.940 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -17.947 28.898 11.788 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -16.012 25.593 9.920 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.658 27.419 9.841 1.00 0.00 H new ATOM 427 N THR A 28 -11.673 26.125 13.589 1.00 0.00 N ATOM 428 CA THR A 28 -10.540 25.748 12.751 1.00 0.00 C ATOM 429 C THR A 28 -10.280 24.248 12.823 1.00 0.00 C ATOM 430 O THR A 28 -10.678 23.586 13.782 1.00 0.00 O ATOM 431 CB THR A 28 -9.260 26.499 13.158 1.00 0.00 C ATOM 432 OG1 THR A 28 -8.200 26.173 12.249 1.00 0.00 O ATOM 433 CG2 THR A 28 -8.844 26.121 14.572 1.00 0.00 C ATOM 0 H THR A 28 -11.804 25.537 14.412 1.00 0.00 H new ATOM 0 HA THR A 28 -10.800 26.022 11.729 1.00 0.00 H new ATOM 0 HB THR A 28 -9.461 27.570 13.124 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.572 26.012 11.357 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.937 26.662 14.841 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.642 26.381 15.268 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.655 25.049 14.621 1.00 0.00 H new ATOM 441 N CYS A 29 -9.605 23.719 11.806 1.00 0.00 N ATOM 442 CA CYS A 29 -9.344 22.288 11.722 1.00 0.00 C ATOM 443 C CYS A 29 -7.944 22.016 11.189 1.00 0.00 C ATOM 444 O CYS A 29 -7.445 22.738 10.324 1.00 0.00 O ATOM 445 CB CYS A 29 -10.402 21.810 10.728 1.00 0.00 C ATOM 446 SG CYS A 29 -10.612 20.015 10.663 1.00 0.00 S ATOM 0 H CYS A 29 -9.229 24.262 11.029 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.393 21.785 12.688 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.358 22.266 10.987 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.136 22.168 9.733 1.00 0.00 H new ATOM 0 HG CYS A 29 -10.088 19.478 11.725 1.00 0.00 H new ATOM 452 N ARG A 30 -7.309 20.967 11.705 1.00 0.00 N ATOM 453 CA ARG A 30 -5.930 20.659 11.360 1.00 0.00 C ATOM 454 C ARG A 30 -5.809 19.255 10.773 1.00 0.00 C ATOM 455 O ARG A 30 -6.371 18.297 11.309 1.00 0.00 O ATOM 456 CB ARG A 30 -4.989 20.856 12.539 1.00 0.00 C ATOM 457 CG ARG A 30 -3.519 20.619 12.229 1.00 0.00 C ATOM 458 CD ARG A 30 -2.606 20.850 13.378 1.00 0.00 C ATOM 459 NE ARG A 30 -1.224 20.468 13.137 1.00 0.00 N ATOM 460 CZ ARG A 30 -0.282 21.285 12.626 1.00 0.00 C ATOM 461 NH1 ARG A 30 -0.575 22.516 12.269 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 0.942 20.809 12.473 1.00 0.00 N ATOM 0 H ARG A 30 -7.732 20.315 12.366 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.623 21.368 10.591 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -5.107 21.873 12.914 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.290 20.183 13.342 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.394 19.594 11.881 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.223 21.272 11.408 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.636 21.907 13.643 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.978 20.295 14.239 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.948 19.514 13.371 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.527 22.865 12.377 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.150 23.122 11.884 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.152 19.847 12.739 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.676 21.404 12.089 1.00 0.00 H new ATOM 476 N VAL A 31 -5.076 19.142 9.671 1.00 0.00 N ATOM 477 CA VAL A 31 -4.985 17.887 8.938 1.00 0.00 C ATOM 478 C VAL A 31 -3.538 17.413 8.827 1.00 0.00 C ATOM 479 O VAL A 31 -2.672 18.152 8.365 1.00 0.00 O ATOM 480 CB VAL A 31 -5.584 18.014 7.525 1.00 0.00 C ATOM 481 CG1 VAL A 31 -5.481 16.691 6.781 1.00 0.00 C ATOM 482 CG2 VAL A 31 -7.033 18.469 7.600 1.00 0.00 C ATOM 0 H VAL A 31 -4.536 19.906 9.266 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.560 17.153 9.502 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.014 18.764 6.976 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.909 16.800 5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.433 16.402 6.696 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.026 15.922 7.328 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.440 18.553 6.593 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.614 17.741 8.167 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.085 19.439 8.095 1.00 0.00 H new ATOM 492 N ALA A 32 -3.292 16.181 9.256 1.00 0.00 N ATOM 493 CA ALA A 32 -1.965 15.590 9.151 1.00 0.00 C ATOM 494 C ALA A 32 -1.773 14.894 7.808 1.00 0.00 C ATOM 495 O ALA A 32 -1.624 13.673 7.746 1.00 0.00 O ATOM 496 CB ALA A 32 -1.729 14.612 10.295 1.00 0.00 C ATOM 0 H ALA A 32 -3.993 15.573 9.679 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.233 16.395 9.218 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.733 14.178 10.203 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.809 15.138 11.246 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.475 13.819 10.255 1.00 0.00 H new ATOM 502 N GLY A 33 -1.783 15.679 6.737 1.00 0.00 N ATOM 503 CA GLY A 33 -1.662 15.138 5.389 1.00 0.00 C ATOM 504 C GLY A 33 -0.297 15.443 4.791 1.00 0.00 C ATOM 505 O GLY A 33 0.403 16.348 5.247 1.00 0.00 O ATOM 0 H GLY A 33 -1.874 16.694 6.776 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.818 14.060 5.412 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.442 15.559 4.754 1.00 0.00 H new ATOM 509 N ASN A 34 0.082 14.683 3.763 1.00 0.00 N ATOM 510 CA ASN A 34 1.341 14.913 3.059 1.00 0.00 C ATOM 511 C ASN A 34 1.273 14.389 1.644 1.00 0.00 C ATOM 512 O ASN A 34 1.312 13.179 1.407 1.00 0.00 O ATOM 513 CB ASN A 34 2.504 14.237 3.842 1.00 0.00 C ATOM 514 CG ASN A 34 3.930 14.571 3.391 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.180 14.964 2.261 1.00 0.00 O ATOM 516 ND2 ASN A 34 4.912 14.409 4.235 1.00 0.00 N ATOM 0 H ASN A 34 -0.466 13.903 3.400 1.00 0.00 H new ATOM 0 HA ASN A 34 1.524 15.986 3.004 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.408 14.509 4.893 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.373 13.157 3.779 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.870 14.610 3.948 1.00 0.00 H new ATOM 0 HD22 ASN A 34 4.722 14.082 5.182 1.00 0.00 H new ATOM 523 N PRO A 35 1.199 15.307 0.682 1.00 0.00 N ATOM 524 CA PRO A 35 1.380 16.724 0.966 1.00 0.00 C ATOM 525 C PRO A 35 0.159 17.308 1.668 1.00 0.00 C ATOM 526 O PRO A 35 -0.901 16.685 1.712 1.00 0.00 O ATOM 527 CB PRO A 35 1.608 17.354 -0.410 1.00 0.00 C ATOM 528 CG PRO A 35 1.967 16.206 -1.290 1.00 0.00 C ATOM 529 CD PRO A 35 1.199 15.030 -0.744 1.00 0.00 C ATOM 0 HA PRO A 35 2.211 16.915 1.645 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.713 17.863 -0.767 1.00 0.00 H new ATOM 0 HB3 PRO A 35 2.406 18.096 -0.380 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.696 16.406 -2.327 1.00 0.00 H new ATOM 0 HG3 PRO A 35 3.040 16.017 -1.272 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.189 14.978 -1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.685 14.082 -0.976 1.00 0.00 H new ATOM 537 N LYS A 36 0.321 18.509 2.218 1.00 0.00 N ATOM 538 CA LYS A 36 -0.774 19.184 2.908 1.00 0.00 C ATOM 539 C LYS A 36 -1.957 19.403 1.974 1.00 0.00 C ATOM 540 O LYS A 36 -1.853 20.126 0.984 1.00 0.00 O ATOM 541 CB LYS A 36 -0.303 20.520 3.484 1.00 0.00 C ATOM 542 CG LYS A 36 0.363 20.417 4.850 1.00 0.00 C ATOM 543 CD LYS A 36 1.598 19.532 4.798 1.00 0.00 C ATOM 544 CE LYS A 36 2.142 19.255 6.191 1.00 0.00 C ATOM 545 NZ LYS A 36 1.187 18.464 7.014 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.196 19.033 2.199 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.099 18.543 3.727 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.398 20.976 2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.159 21.191 3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.641 21.412 5.197 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.346 20.013 5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.352 18.590 4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.367 20.014 4.195 1.00 0.00 H new ATOM 0 HE2 LYS A 36 3.086 18.715 6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.356 20.199 6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.684 18.067 7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.415 19.081 7.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.793 17.690 6.441 1.00 0.00 H new ATOM 559 N PRO A 37 -3.083 18.773 2.294 1.00 0.00 N ATOM 560 CA PRO A 37 -4.266 18.834 1.443 1.00 0.00 C ATOM 561 C PRO A 37 -4.704 20.276 1.215 1.00 0.00 C ATOM 562 O PRO A 37 -4.480 21.145 2.054 1.00 0.00 O ATOM 563 CB PRO A 37 -5.320 18.025 2.207 1.00 0.00 C ATOM 564 CG PRO A 37 -4.527 17.077 3.039 1.00 0.00 C ATOM 565 CD PRO A 37 -3.284 17.831 3.435 1.00 0.00 C ATOM 0 HA PRO A 37 -4.091 18.431 0.445 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.945 18.670 2.825 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.985 17.495 1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.090 16.760 3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.278 16.176 2.478 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.417 18.362 4.378 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.431 17.164 3.563 1.00 0.00 H new ATOM 573 N LYS A 38 -5.330 20.523 0.067 1.00 0.00 N ATOM 574 CA LYS A 38 -5.889 21.835 -0.233 1.00 0.00 C ATOM 575 C LYS A 38 -7.229 22.040 0.460 1.00 0.00 C ATOM 576 O LYS A 38 -8.269 22.125 -0.193 1.00 0.00 O ATOM 577 CB LYS A 38 -6.047 22.016 -1.743 1.00 0.00 C ATOM 578 CG LYS A 38 -4.734 22.047 -2.514 1.00 0.00 C ATOM 579 CD LYS A 38 -4.966 22.323 -3.992 1.00 0.00 C ATOM 580 CE LYS A 38 -3.654 22.349 -4.764 1.00 0.00 C ATOM 581 NZ LYS A 38 -3.868 22.591 -6.216 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.462 19.830 -0.670 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.194 22.585 0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.663 21.205 -2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -6.587 22.944 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.083 22.815 -2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.218 21.094 -2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.620 21.557 -4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.478 23.278 -4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.009 23.128 -4.358 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.134 21.401 -4.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.950 22.601 -6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.462 21.834 -6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.341 23.507 -6.349 1.00 0.00 H new ATOM 595 N ILE A 39 -7.199 22.113 1.788 1.00 0.00 N ATOM 596 CA ILE A 39 -8.420 22.127 2.584 1.00 0.00 C ATOM 597 C ILE A 39 -9.480 23.021 1.949 1.00 0.00 C ATOM 598 O ILE A 39 -9.251 24.208 1.727 1.00 0.00 O ATOM 599 CB ILE A 39 -8.151 22.605 4.024 1.00 0.00 C ATOM 600 CG1 ILE A 39 -7.335 21.561 4.789 1.00 0.00 C ATOM 601 CG2 ILE A 39 -9.462 22.893 4.742 1.00 0.00 C ATOM 602 CD1 ILE A 39 -6.849 22.036 6.140 1.00 0.00 C ATOM 0 H ILE A 39 -6.340 22.163 2.335 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.787 21.101 2.616 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.573 23.528 3.981 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.943 20.667 4.926 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.475 21.272 4.185 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.254 23.230 5.758 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.007 23.670 4.206 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.065 21.986 4.777 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.279 21.242 6.622 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.213 22.912 6.011 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.704 22.298 6.763 1.00 0.00 H new ATOM 614 N TYR A 40 -10.638 22.439 1.661 1.00 0.00 N ATOM 615 CA TYR A 40 -11.766 23.198 1.132 1.00 0.00 C ATOM 616 C TYR A 40 -12.882 23.320 2.163 1.00 0.00 C ATOM 617 O TYR A 40 -13.116 22.404 2.949 1.00 0.00 O ATOM 618 CB TYR A 40 -12.299 22.545 -0.144 1.00 0.00 C ATOM 619 CG TYR A 40 -11.298 22.503 -1.277 1.00 0.00 C ATOM 620 CD1 TYR A 40 -10.938 23.660 -1.951 1.00 0.00 C ATOM 621 CD2 TYR A 40 -10.716 21.306 -1.670 1.00 0.00 C ATOM 622 CE1 TYR A 40 -10.023 23.628 -2.986 1.00 0.00 C ATOM 623 CE2 TYR A 40 -9.800 21.262 -2.704 1.00 0.00 C ATOM 624 CZ TYR A 40 -9.457 22.427 -3.359 1.00 0.00 C ATOM 625 OH TYR A 40 -8.547 22.390 -4.390 1.00 0.00 O ATOM 0 H TYR A 40 -10.821 21.443 1.785 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.410 24.201 0.895 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.616 21.528 0.086 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -13.185 23.087 -0.475 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -11.380 24.602 -1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.984 20.393 -1.159 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.753 24.539 -3.500 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -9.356 20.322 -2.997 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.243 21.468 -4.525 1.00 0.00 H new ATOM 635 N TRP A 41 -13.567 24.457 2.151 1.00 0.00 N ATOM 636 CA TRP A 41 -14.741 24.650 2.995 1.00 0.00 C ATOM 637 C TRP A 41 -16.002 24.807 2.157 1.00 0.00 C ATOM 638 O TRP A 41 -15.994 25.465 1.116 1.00 0.00 O ATOM 639 CB TRP A 41 -14.551 25.876 3.894 1.00 0.00 C ATOM 640 CG TRP A 41 -13.492 25.692 4.938 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.171 26.000 4.822 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.666 25.161 6.257 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.510 25.695 5.985 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.409 25.179 6.885 1.00 0.00 C ATOM 645 CE3 TRP A 41 -14.768 24.672 6.969 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -12.217 24.727 8.182 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -14.577 24.222 8.270 1.00 0.00 C ATOM 648 CH2 TRP A 41 -13.339 24.247 8.858 1.00 0.00 C ATOM 0 H TRP A 41 -13.331 25.259 1.567 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.856 23.763 3.619 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.294 26.735 3.274 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.497 26.108 4.384 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.710 26.423 3.942 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.513 25.830 6.153 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -15.748 24.645 6.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.243 24.746 8.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.421 23.845 8.829 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -13.229 23.886 9.870 1.00 0.00 H new ATOM 659 N PHE A 42 -17.093 24.196 2.619 1.00 0.00 N ATOM 660 CA PHE A 42 -18.405 24.424 2.028 1.00 0.00 C ATOM 661 C PHE A 42 -19.514 24.186 3.043 1.00 0.00 C ATOM 662 O PHE A 42 -19.403 23.316 3.904 1.00 0.00 O ATOM 663 CB PHE A 42 -18.606 23.523 0.808 1.00 0.00 C ATOM 664 CG PHE A 42 -18.401 22.062 1.093 1.00 0.00 C ATOM 665 CD1 PHE A 42 -17.130 21.509 1.075 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.479 21.239 1.381 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.939 20.166 1.336 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.292 19.895 1.644 1.00 0.00 C ATOM 669 CZ PHE A 42 -18.023 19.358 1.621 1.00 0.00 C ATOM 0 H PHE A 42 -17.091 23.540 3.400 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.452 25.466 1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.614 23.670 0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.916 23.831 0.023 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.279 22.136 0.854 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.476 21.653 1.400 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.943 19.748 1.317 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -20.141 19.265 1.868 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.876 18.308 1.825 1.00 0.00 H new ATOM 679 N LYS A 43 -20.583 24.968 2.934 1.00 0.00 N ATOM 680 CA LYS A 43 -21.664 24.929 3.916 1.00 0.00 C ATOM 681 C LYS A 43 -22.923 24.314 3.321 1.00 0.00 C ATOM 682 O LYS A 43 -23.573 24.914 2.465 1.00 0.00 O ATOM 683 CB LYS A 43 -21.962 26.332 4.443 1.00 0.00 C ATOM 684 CG LYS A 43 -22.910 26.368 5.633 1.00 0.00 C ATOM 685 CD LYS A 43 -24.352 26.539 5.187 1.00 0.00 C ATOM 686 CE LYS A 43 -25.261 26.871 6.360 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.695 26.634 6.039 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.725 25.636 2.177 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.338 24.303 4.747 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -21.023 26.807 4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.389 26.927 3.636 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.812 25.446 6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.633 27.187 6.296 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.412 27.333 4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.696 25.624 4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.977 26.266 7.221 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -25.121 27.914 6.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.264 26.725 6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -27.014 27.334 5.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.810 25.677 5.648 1.00 0.00 H new ATOM 701 N ASP A 44 -23.264 23.114 3.778 1.00 0.00 N ATOM 702 CA ASP A 44 -24.401 22.380 3.229 1.00 0.00 C ATOM 703 C ASP A 44 -24.286 22.238 1.717 1.00 0.00 C ATOM 704 O ASP A 44 -25.290 22.235 1.007 1.00 0.00 O ATOM 705 CB ASP A 44 -25.715 23.074 3.594 1.00 0.00 C ATOM 706 CG ASP A 44 -26.082 22.992 5.071 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.451 22.243 5.778 1.00 0.00 O ATOM 708 OD2 ASP A 44 -26.878 23.789 5.508 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.770 22.628 4.527 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.396 21.382 3.667 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.650 24.123 3.306 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.520 22.632 3.007 1.00 0.00 H new ATOM 713 N GLY A 45 -23.056 22.123 1.230 1.00 0.00 N ATOM 714 CA GLY A 45 -22.811 21.909 -0.191 1.00 0.00 C ATOM 715 C GLY A 45 -22.531 23.228 -0.907 1.00 0.00 C ATOM 716 O GLY A 45 -22.320 23.254 -2.115 1.00 0.00 O ATOM 0 H GLY A 45 -22.211 22.175 1.800 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.964 21.235 -0.319 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.676 21.423 -0.643 1.00 0.00 H new ATOM 720 N LYS A 46 -22.531 24.318 -0.145 1.00 0.00 N ATOM 721 CA LYS A 46 -22.293 25.641 -0.706 1.00 0.00 C ATOM 722 C LYS A 46 -20.827 26.035 -0.585 1.00 0.00 C ATOM 723 O LYS A 46 -20.370 26.456 0.478 1.00 0.00 O ATOM 724 CB LYS A 46 -23.177 26.682 -0.017 1.00 0.00 C ATOM 725 CG LYS A 46 -24.672 26.450 -0.187 1.00 0.00 C ATOM 726 CD LYS A 46 -25.484 27.477 0.589 1.00 0.00 C ATOM 727 CE LYS A 46 -26.978 27.278 0.377 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.779 28.352 1.023 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.693 24.310 0.862 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.549 25.605 -1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.942 26.693 1.047 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.928 27.668 -0.408 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.932 26.502 -1.244 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.928 25.447 0.156 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.252 27.399 1.651 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -25.201 28.481 0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -27.193 27.258 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.276 26.310 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.791 28.179 0.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.594 28.356 2.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.514 29.273 0.620 1.00 0.00 H new ATOM 742 N GLN A 47 -20.090 25.898 -1.684 1.00 0.00 N ATOM 743 CA GLN A 47 -18.661 26.189 -1.690 1.00 0.00 C ATOM 744 C GLN A 47 -18.377 27.570 -1.116 1.00 0.00 C ATOM 745 O GLN A 47 -18.990 28.558 -1.515 1.00 0.00 O ATOM 746 CB GLN A 47 -18.102 26.097 -3.112 1.00 0.00 C ATOM 747 CG GLN A 47 -16.596 26.277 -3.202 1.00 0.00 C ATOM 748 CD GLN A 47 -16.081 26.148 -4.622 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.861 26.012 -5.571 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.763 26.186 -4.779 1.00 0.00 N ATOM 0 H GLN A 47 -20.460 25.587 -2.582 1.00 0.00 H new ATOM 0 HA GLN A 47 -18.170 25.446 -1.062 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -18.366 25.127 -3.532 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.585 26.854 -3.730 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -16.326 27.257 -2.808 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -16.106 25.535 -2.572 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -14.156 26.300 -3.967 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -14.358 26.101 -5.711 1.00 0.00 H new ATOM 759 N ILE A 48 -17.443 27.630 -0.170 1.00 0.00 N ATOM 760 CA ILE A 48 -17.086 28.885 0.477 1.00 0.00 C ATOM 761 C ILE A 48 -15.784 29.442 -0.080 1.00 0.00 C ATOM 762 O ILE A 48 -14.754 28.764 -0.069 1.00 0.00 O ATOM 763 CB ILE A 48 -16.953 28.716 2.001 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.290 28.291 2.612 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.459 30.006 2.638 1.00 0.00 C ATOM 766 CD1 ILE A 48 -18.196 27.876 4.062 1.00 0.00 C ATOM 0 H ILE A 48 -16.920 26.821 0.165 1.00 0.00 H new ATOM 0 HA ILE A 48 -17.894 29.587 0.268 1.00 0.00 H new ATOM 0 HB ILE A 48 -16.221 27.933 2.199 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -18.997 29.116 2.526 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.696 27.462 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.371 29.869 3.716 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.485 30.266 2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.167 30.808 2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -19.184 27.589 4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.516 27.030 4.155 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -17.821 28.710 4.656 1.00 0.00 H new ATOM 778 N SER A 49 -15.826 30.679 -0.558 1.00 0.00 N ATOM 779 CA SER A 49 -14.626 31.371 -1.010 1.00 0.00 C ATOM 780 C SER A 49 -13.980 32.154 0.125 1.00 0.00 C ATOM 781 O SER A 49 -14.667 32.810 0.908 1.00 0.00 O ATOM 782 CB SER A 49 -14.961 32.294 -2.165 1.00 0.00 C ATOM 783 OG SER A 49 -13.861 33.069 -2.556 1.00 0.00 O ATOM 0 H SER A 49 -16.683 31.226 -0.643 1.00 0.00 H new ATOM 0 HA SER A 49 -13.910 30.623 -1.349 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.307 31.703 -3.013 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.783 32.950 -1.878 1.00 0.00 H new ATOM 0 HG SER A 49 -14.118 33.648 -3.303 1.00 0.00 H new ATOM 789 N PRO A 50 -12.656 32.080 0.211 1.00 0.00 N ATOM 790 CA PRO A 50 -11.911 32.812 1.225 1.00 0.00 C ATOM 791 C PRO A 50 -12.235 34.301 1.181 1.00 0.00 C ATOM 792 O PRO A 50 -12.341 34.888 0.105 1.00 0.00 O ATOM 793 CB PRO A 50 -10.444 32.528 0.888 1.00 0.00 C ATOM 794 CG PRO A 50 -10.475 31.226 0.162 1.00 0.00 C ATOM 795 CD PRO A 50 -11.751 31.246 -0.637 1.00 0.00 C ATOM 0 HA PRO A 50 -12.161 32.502 2.240 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -10.018 33.318 0.269 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.834 32.466 1.789 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.606 31.117 -0.487 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.460 30.387 0.858 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.604 31.684 -1.624 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.149 30.243 -0.789 1.00 0.00 H new ATOM 803 N LYS A 51 -12.385 34.906 2.354 1.00 0.00 N ATOM 804 CA LYS A 51 -12.643 36.336 2.449 1.00 0.00 C ATOM 805 C LYS A 51 -13.906 36.723 1.691 1.00 0.00 C ATOM 806 O LYS A 51 -13.872 37.568 0.796 1.00 0.00 O ATOM 807 CB LYS A 51 -11.447 37.131 1.920 1.00 0.00 C ATOM 808 CG LYS A 51 -10.155 36.916 2.696 1.00 0.00 C ATOM 809 CD LYS A 51 -9.018 37.743 2.118 1.00 0.00 C ATOM 810 CE LYS A 51 -7.728 37.534 2.897 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.586 38.272 2.291 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.332 34.427 3.253 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.793 36.577 3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.279 36.861 0.877 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.695 38.192 1.938 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.307 37.184 3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.887 35.860 2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.862 37.471 1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.288 38.799 2.136 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -7.868 37.864 3.926 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.494 36.470 2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.727 38.103 2.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.435 37.939 1.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -6.797 39.290 2.280 1.00 0.00 H new ATOM 825 N SER A 52 -15.021 36.096 2.054 1.00 0.00 N ATOM 826 CA SER A 52 -16.303 36.390 1.426 1.00 0.00 C ATOM 827 C SER A 52 -17.089 37.417 2.230 1.00 0.00 C ATOM 828 O SER A 52 -16.526 38.128 3.065 1.00 0.00 O ATOM 829 CB SER A 52 -17.109 35.116 1.265 1.00 0.00 C ATOM 830 OG SER A 52 -18.244 35.309 0.466 1.00 0.00 O ATOM 0 H SER A 52 -15.062 35.381 2.780 1.00 0.00 H new ATOM 0 HA SER A 52 -16.109 36.815 0.441 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.481 34.343 0.821 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.414 34.754 2.247 1.00 0.00 H new ATOM 0 HG SER A 52 -18.735 34.465 0.386 1.00 0.00 H new ATOM 836 N ASP A 53 -18.388 37.494 1.970 1.00 0.00 N ATOM 837 CA ASP A 53 -19.246 38.469 2.636 1.00 0.00 C ATOM 838 C ASP A 53 -19.150 38.344 4.151 1.00 0.00 C ATOM 839 O ASP A 53 -19.027 39.339 4.859 1.00 0.00 O ATOM 840 CB ASP A 53 -20.699 38.301 2.185 1.00 0.00 C ATOM 841 CG ASP A 53 -20.976 38.772 0.763 1.00 0.00 C ATOM 842 OD1 ASP A 53 -20.132 39.429 0.202 1.00 0.00 O ATOM 843 OD2 ASP A 53 -21.952 38.342 0.197 1.00 0.00 O1- ATOM 0 H ASP A 53 -18.872 36.893 1.303 1.00 0.00 H new ATOM 0 HA ASP A 53 -18.901 39.464 2.354 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -20.972 37.249 2.266 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.345 38.851 2.869 1.00 0.00 H new ATOM 848 N HIS A 54 -19.211 37.108 4.641 1.00 0.00 N ATOM 849 CA HIS A 54 -19.122 36.847 6.072 1.00 0.00 C ATOM 850 C HIS A 54 -18.209 35.666 6.362 1.00 0.00 C ATOM 851 O HIS A 54 -17.939 35.345 7.520 1.00 0.00 O ATOM 852 CB HIS A 54 -20.512 36.590 6.664 1.00 0.00 C ATOM 853 CG HIS A 54 -21.436 37.764 6.561 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.320 38.874 7.371 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.490 38.000 5.746 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.265 39.744 7.057 1.00 0.00 C ATOM 857 NE2 HIS A 54 -22.987 39.237 6.075 1.00 0.00 N ATOM 0 H HIS A 54 -19.322 36.273 4.066 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.696 37.734 6.541 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -20.963 35.738 6.154 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.405 36.314 7.713 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.869 37.339 4.980 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.420 40.705 7.524 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.786 39.691 5.632 1.00 0.00 H new ATOM 865 N TYR A 55 -17.739 35.015 5.303 1.00 0.00 N ATOM 866 CA TYR A 55 -16.972 33.780 5.441 1.00 0.00 C ATOM 867 C TYR A 55 -15.502 34.008 5.122 1.00 0.00 C ATOM 868 O TYR A 55 -15.095 33.985 3.960 1.00 0.00 O ATOM 869 CB TYR A 55 -17.545 32.691 4.530 1.00 0.00 C ATOM 870 CG TYR A 55 -18.941 32.246 4.907 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.436 32.463 6.187 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.761 31.613 3.984 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.712 32.058 6.535 1.00 0.00 C ATOM 874 CE2 TYR A 55 -21.035 31.206 4.323 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.507 31.431 5.599 1.00 0.00 C ATOM 876 OH TYR A 55 -22.778 31.030 5.942 1.00 0.00 O ATOM 0 H TYR A 55 -17.875 35.321 4.340 1.00 0.00 H new ATOM 0 HA TYR A 55 -17.049 33.452 6.478 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.556 33.059 3.504 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -16.881 31.827 4.552 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.815 32.955 6.921 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.396 31.436 2.983 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -21.083 32.232 7.534 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.660 30.714 3.592 1.00 0.00 H new ATOM 0 HH TYR A 55 -23.304 31.810 6.216 1.00 0.00 H new ATOM 886 N THR A 56 -14.704 34.227 6.163 1.00 0.00 N ATOM 887 CA THR A 56 -13.276 34.475 5.994 1.00 0.00 C ATOM 888 C THR A 56 -12.463 33.217 6.268 1.00 0.00 C ATOM 889 O THR A 56 -12.584 32.601 7.329 1.00 0.00 O ATOM 890 CB THR A 56 -12.783 35.602 6.920 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.478 36.817 6.609 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.288 35.819 6.748 1.00 0.00 C ATOM 0 H THR A 56 -15.022 34.238 7.132 1.00 0.00 H new ATOM 0 HA THR A 56 -13.132 34.780 4.958 1.00 0.00 H new ATOM 0 HB THR A 56 -12.981 35.316 7.953 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.165 37.533 7.200 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.958 36.619 7.410 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.756 34.900 6.996 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.077 36.093 5.714 1.00 0.00 H new ATOM 900 N ILE A 57 -11.633 32.832 5.304 1.00 0.00 N ATOM 901 CA ILE A 57 -10.812 31.632 5.431 1.00 0.00 C ATOM 902 C ILE A 57 -9.338 31.983 5.579 1.00 0.00 C ATOM 903 O ILE A 57 -8.759 32.655 4.723 1.00 0.00 O ATOM 904 CB ILE A 57 -10.987 30.696 4.221 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.436 30.213 4.125 1.00 0.00 C ATOM 906 CG2 ILE A 57 -10.033 29.515 4.319 1.00 0.00 C ATOM 907 CD1 ILE A 57 -12.734 29.421 2.872 1.00 0.00 C ATOM 0 H ILE A 57 -11.511 33.334 4.425 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.150 31.117 6.330 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.750 31.253 3.315 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.662 29.597 4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.100 31.076 4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.170 28.864 3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.005 29.878 4.340 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.239 28.956 5.232 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -13.780 29.114 2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.541 30.040 1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.096 28.538 2.840 1.00 0.00 H new ATOM 919 N GLN A 58 -8.734 31.530 6.673 1.00 0.00 N ATOM 920 CA GLN A 58 -7.294 31.662 6.860 1.00 0.00 C ATOM 921 C GLN A 58 -6.580 30.344 6.586 1.00 0.00 C ATOM 922 O GLN A 58 -6.990 29.289 7.075 1.00 0.00 O ATOM 923 CB GLN A 58 -6.980 32.133 8.283 1.00 0.00 C ATOM 924 CG GLN A 58 -7.483 33.531 8.600 1.00 0.00 C ATOM 925 CD GLN A 58 -6.790 34.597 7.773 1.00 0.00 C ATOM 926 OE1 GLN A 58 -5.558 34.666 7.729 1.00 0.00 O ATOM 927 NE2 GLN A 58 -7.577 35.440 7.115 1.00 0.00 N ATOM 0 H GLN A 58 -9.219 31.069 7.443 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.934 32.405 6.148 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.420 31.431 8.992 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.901 32.104 8.434 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -8.557 33.577 8.420 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.328 33.739 9.659 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.591 35.347 7.179 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.168 36.181 6.545 1.00 0.00 H new ATOM 936 N ARG A 59 -5.510 30.408 5.801 1.00 0.00 N ATOM 937 CA ARG A 59 -4.806 29.213 5.363 1.00 0.00 C ATOM 938 C ARG A 59 -3.390 29.168 5.924 1.00 0.00 C ATOM 939 O ARG A 59 -2.522 29.931 5.503 1.00 0.00 O ATOM 940 CB ARG A 59 -4.810 29.071 3.847 1.00 0.00 C ATOM 941 CG ARG A 59 -6.181 28.856 3.228 1.00 0.00 C ATOM 942 CD ARG A 59 -6.188 28.843 1.743 1.00 0.00 C ATOM 943 NE ARG A 59 -7.480 28.541 1.149 1.00 0.00 N ATOM 944 CZ ARG A 59 -7.697 28.385 -0.172 1.00 0.00 C ATOM 945 NH1 ARG A 59 -6.723 28.538 -1.041 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -8.923 28.097 -0.573 1.00 0.00 N ATOM 0 H ARG A 59 -5.111 31.281 5.455 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.349 28.356 5.763 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.367 29.967 3.412 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.169 28.233 3.573 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.585 27.910 3.589 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.851 29.643 3.576 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.855 29.816 1.382 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.462 28.108 1.395 1.00 0.00 H new ATOM 0 HE ARG A 59 -8.278 28.440 1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.785 28.778 -0.719 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -6.905 28.416 -2.037 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.673 27.999 0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.119 27.973 -1.566 1.00 0.00 H new ATOM 960 N ASP A 60 -3.166 28.272 6.877 1.00 0.00 N ATOM 961 CA ASP A 60 -1.821 28.008 7.380 1.00 0.00 C ATOM 962 C ASP A 60 -1.183 26.832 6.652 1.00 0.00 C ATOM 963 O ASP A 60 -1.707 25.719 6.671 1.00 0.00 O ATOM 964 CB ASP A 60 -1.855 27.739 8.886 1.00 0.00 C ATOM 965 CG ASP A 60 -0.484 27.558 9.524 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.480 27.482 8.800 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.393 27.652 10.725 1.00 0.00 O1- ATOM 0 H ASP A 60 -3.898 27.715 7.318 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.215 28.894 7.193 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.365 28.566 9.379 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.449 26.844 9.069 1.00 0.00 H new ATOM 972 N LEU A 61 -0.047 27.084 6.011 1.00 0.00 N ATOM 973 CA LEU A 61 0.581 26.095 5.142 1.00 0.00 C ATOM 974 C LEU A 61 1.092 24.906 5.942 1.00 0.00 C ATOM 975 O LEU A 61 1.454 23.874 5.373 1.00 0.00 O ATOM 976 CB LEU A 61 1.727 26.737 4.349 1.00 0.00 C ATOM 977 CG LEU A 61 1.301 27.814 3.343 1.00 0.00 C ATOM 978 CD1 LEU A 61 2.530 28.443 2.701 1.00 0.00 C ATOM 979 CD2 LEU A 61 0.398 27.196 2.286 1.00 0.00 C ATOM 0 H LEU A 61 0.459 27.967 6.077 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.172 25.731 4.443 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.432 27.179 5.053 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.261 25.952 3.813 1.00 0.00 H new ATOM 0 HG LEU A 61 0.748 28.597 3.862 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.218 29.206 1.988 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.150 28.899 3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.103 27.675 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.096 27.962 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.937 26.406 1.764 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.487 26.777 2.764 1.00 0.00 H new ATOM 991 N ASP A 62 1.126 25.052 7.261 1.00 0.00 N ATOM 992 CA ASP A 62 1.547 23.973 8.145 1.00 0.00 C ATOM 993 C ASP A 62 0.572 22.804 8.083 1.00 0.00 C ATOM 994 O ASP A 62 0.925 21.670 8.411 1.00 0.00 O ATOM 995 CB ASP A 62 1.674 24.477 9.584 1.00 0.00 C ATOM 996 CG ASP A 62 2.498 23.576 10.496 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.636 23.326 10.180 1.00 0.00 O ATOM 998 OD2 ASP A 62 2.039 23.275 11.572 1.00 0.00 O1- ATOM 0 H ASP A 62 0.866 25.912 7.744 1.00 0.00 H new ATOM 0 HA ASP A 62 2.523 23.624 7.807 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.125 25.469 9.570 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.676 24.586 10.007 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.658 23.085 7.665 1.00 0.00 N ATOM 1004 CA GLY A 63 -1.675 22.049 7.530 1.00 0.00 C ATOM 1005 C GLY A 63 -2.915 22.389 8.349 1.00 0.00 C ATOM 1006 O GLY A 63 -3.744 21.522 8.623 1.00 0.00 O ATOM 0 H GLY A 63 -0.974 24.022 7.414 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.948 21.937 6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.270 21.092 7.858 1.00 0.00 H new ATOM 1010 N THR A 64 -3.037 23.652 8.735 1.00 0.00 N ATOM 1011 CA THR A 64 -4.206 24.124 9.472 1.00 0.00 C ATOM 1012 C THR A 64 -4.958 25.193 8.691 1.00 0.00 C ATOM 1013 O THR A 64 -4.349 26.059 8.064 1.00 0.00 O ATOM 1014 CB THR A 64 -3.815 24.691 10.850 1.00 0.00 C ATOM 1015 OG1 THR A 64 -3.133 23.684 11.608 1.00 0.00 O ATOM 1016 CG2 THR A 64 -5.052 25.145 11.610 1.00 0.00 C ATOM 0 H THR A 64 -2.339 24.372 8.550 1.00 0.00 H new ATOM 0 HA THR A 64 -4.855 23.260 9.615 1.00 0.00 H new ATOM 0 HB THR A 64 -3.159 25.548 10.701 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.165 23.914 12.560 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.757 25.543 12.581 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.564 25.921 11.041 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.722 24.298 11.753 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.284 25.120 8.731 1.00 0.00 N ATOM 1025 CA CYS A 65 -7.122 26.124 8.085 1.00 0.00 C ATOM 1026 C CYS A 65 -8.296 26.514 8.980 1.00 0.00 C ATOM 1027 O CYS A 65 -8.922 25.657 9.606 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.615 25.400 6.832 1.00 0.00 C ATOM 1029 SG CYS A 65 -8.369 26.477 5.591 1.00 0.00 S ATOM 0 H CYS A 65 -6.801 24.378 9.203 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.593 27.052 7.870 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.775 24.875 6.377 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.342 24.643 7.127 1.00 0.00 H new ATOM 0 HG CYS A 65 -8.069 27.715 5.851 1.00 0.00 H new ATOM 1035 N SER A 66 -8.589 27.809 9.029 1.00 0.00 N ATOM 1036 CA SER A 66 -9.606 28.328 9.936 1.00 0.00 C ATOM 1037 C SER A 66 -10.709 29.050 9.171 1.00 0.00 C ATOM 1038 O SER A 66 -10.437 29.817 8.248 1.00 0.00 O ATOM 1039 CB SER A 66 -8.972 29.256 10.954 1.00 0.00 C ATOM 1040 OG SER A 66 -9.926 29.848 11.792 1.00 0.00 O ATOM 0 H SER A 66 -8.137 28.518 8.452 1.00 0.00 H new ATOM 0 HA SER A 66 -10.059 27.485 10.459 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.257 28.697 11.557 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.412 30.034 10.435 1.00 0.00 H new ATOM 0 HG SER A 66 -10.681 29.235 11.913 1.00 0.00 H new ATOM 1046 N LEU A 67 -11.953 28.802 9.564 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.097 29.463 8.947 1.00 0.00 C ATOM 1048 C LEU A 67 -13.845 30.327 9.955 1.00 0.00 C ATOM 1049 O LEU A 67 -14.334 29.828 10.971 1.00 0.00 O ATOM 1050 CB LEU A 67 -14.041 28.424 8.330 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.337 28.990 7.735 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -15.012 29.960 6.606 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.207 27.849 7.230 1.00 0.00 C ATOM 0 H LEU A 67 -12.195 28.147 10.308 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.724 30.116 8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.504 27.889 7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.301 27.693 9.095 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.884 29.533 8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.938 30.357 6.189 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.408 30.780 6.994 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.458 29.438 5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -17.127 28.253 6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.669 27.293 6.462 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.449 27.182 8.058 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.927 31.624 9.673 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.589 32.561 10.568 1.00 0.00 C ATOM 1067 C HIS A 68 -15.871 33.104 9.947 1.00 0.00 C ATOM 1068 O HIS A 68 -15.863 33.625 8.832 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.651 33.718 10.929 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.307 34.798 11.731 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.673 34.628 13.049 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.666 36.061 11.401 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -15.227 35.741 13.496 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -15.235 36.624 12.516 1.00 0.00 N ATOM 0 H HIS A 68 -13.542 32.048 8.829 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.850 32.021 11.478 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.803 33.325 11.490 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.252 34.151 10.011 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.530 36.536 10.441 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.608 35.901 14.494 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.605 37.573 12.577 1.00 0.00 H new ATOM 1082 N THR A 69 -16.975 32.977 10.677 1.00 0.00 N ATOM 1083 CA THR A 69 -18.234 33.603 10.282 1.00 0.00 C ATOM 1084 C THR A 69 -18.447 34.916 11.023 1.00 0.00 C ATOM 1085 O THR A 69 -18.554 34.941 12.250 1.00 0.00 O ATOM 1086 CB THR A 69 -19.436 32.676 10.545 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.293 31.475 9.778 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.736 33.367 10.161 1.00 0.00 C ATOM 0 H THR A 69 -17.024 32.446 11.546 1.00 0.00 H new ATOM 0 HA THR A 69 -18.167 33.797 9.211 1.00 0.00 H new ATOM 0 HB THR A 69 -19.464 32.435 11.608 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.661 31.614 8.881 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.574 32.698 10.353 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.854 34.275 10.752 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.712 33.624 9.102 1.00 0.00 H new ATOM 1096 N THR A 70 -18.507 36.010 10.270 1.00 0.00 N ATOM 1097 CA THR A 70 -18.624 37.339 10.856 1.00 0.00 C ATOM 1098 C THR A 70 -19.931 37.493 11.624 1.00 0.00 C ATOM 1099 O THR A 70 -19.948 38.013 12.740 1.00 0.00 O ATOM 1100 CB THR A 70 -18.540 38.439 9.782 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.256 38.393 9.146 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.744 39.811 10.406 1.00 0.00 C ATOM 0 H THR A 70 -18.476 36.001 9.250 1.00 0.00 H new ATOM 0 HA THR A 70 -17.787 37.451 11.546 1.00 0.00 H new ATOM 0 HB THR A 70 -19.324 38.266 9.045 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.205 39.093 8.462 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.681 40.576 9.632 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.725 39.853 10.879 1.00 0.00 H new ATOM 0 HG23 THR A 70 -17.972 39.989 11.155 1.00 0.00 H new ATOM 1110 N ALA A 71 -21.020 37.032 11.021 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.344 37.179 11.619 1.00 0.00 C ATOM 1112 C ALA A 71 -23.211 35.958 11.340 1.00 0.00 C ATOM 1113 O ALA A 71 -23.951 35.922 10.354 1.00 0.00 O ATOM 1114 CB ALA A 71 -23.021 38.440 11.105 1.00 0.00 C ATOM 0 H ALA A 71 -21.014 36.554 10.120 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.219 37.264 12.699 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -24.007 38.535 11.560 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.416 39.309 11.364 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.126 38.381 10.022 1.00 0.00 H new ATOM 1120 N SER A 72 -23.115 34.958 12.212 1.00 0.00 N ATOM 1121 CA SER A 72 -23.834 33.703 12.019 1.00 0.00 C ATOM 1122 C SER A 72 -25.313 33.860 12.346 1.00 0.00 C ATOM 1123 O SER A 72 -25.691 33.975 13.511 1.00 0.00 O ATOM 1124 CB SER A 72 -23.217 32.613 12.873 1.00 0.00 C ATOM 1125 OG SER A 72 -23.885 31.390 12.728 1.00 0.00 O ATOM 0 H SER A 72 -22.547 34.993 13.058 1.00 0.00 H new ATOM 0 HA SER A 72 -23.752 33.421 10.969 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.169 32.488 12.600 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.240 32.916 13.920 1.00 0.00 H new ATOM 0 HG SER A 72 -23.385 30.815 12.112 1.00 0.00 H new ATOM 1131 N THR A 73 -26.145 33.861 11.309 1.00 0.00 N ATOM 1132 CA THR A 73 -27.585 33.986 11.488 1.00 0.00 C ATOM 1133 C THR A 73 -28.290 32.655 11.251 1.00 0.00 C ATOM 1134 O THR A 73 -27.648 31.649 10.952 1.00 0.00 O ATOM 1135 CB THR A 73 -28.182 35.046 10.543 1.00 0.00 C ATOM 1136 OG1 THR A 73 -28.035 34.614 9.184 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.475 36.380 10.726 1.00 0.00 C ATOM 0 H THR A 73 -25.846 33.777 10.338 1.00 0.00 H new ATOM 0 HA THR A 73 -27.746 34.299 12.520 1.00 0.00 H new ATOM 0 HB THR A 73 -29.239 35.170 10.780 1.00 0.00 H new ATOM 0 HG1 THR A 73 -27.089 34.441 8.996 1.00 0.00 H new ATOM 0 HG21 THR A 73 -27.909 37.117 10.051 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.594 36.717 11.756 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.415 36.263 10.503 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.612 32.658 11.393 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.399 31.439 11.230 1.00 0.00 C ATOM 1147 C LEU A 74 -30.263 30.877 9.820 1.00 0.00 C ATOM 1148 O LEU A 74 -30.418 29.678 9.603 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.872 31.713 11.555 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.166 32.049 13.022 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.626 32.452 13.184 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.839 30.847 13.895 1.00 0.00 C ATOM 0 H LEU A 74 -30.160 33.488 11.620 1.00 0.00 H new ATOM 0 HA LEU A 74 -30.014 30.693 11.926 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -32.217 32.540 10.934 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.458 30.838 11.275 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.544 32.888 13.333 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.824 32.689 14.229 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.832 33.328 12.568 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.268 31.629 12.870 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -32.048 31.087 14.938 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.450 29.998 13.588 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.784 30.594 13.786 1.00 0.00 H new ATOM 1164 N ASP A 75 -29.972 31.754 8.866 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.718 31.337 7.494 1.00 0.00 C ATOM 1166 C ASP A 75 -28.315 30.758 7.345 1.00 0.00 C ATOM 1167 O ASP A 75 -28.032 30.026 6.395 1.00 0.00 O ATOM 1168 CB ASP A 75 -29.909 32.512 6.531 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.360 32.923 6.320 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.230 32.174 6.695 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.587 34.044 5.931 1.00 0.00 O1- ATOM 0 H ASP A 75 -29.906 32.760 9.019 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.437 30.557 7.244 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.352 33.370 6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.474 32.250 5.566 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.444 31.092 8.289 1.00 0.00 N ATOM 1177 CA ASP A 76 -26.079 30.571 8.289 1.00 0.00 C ATOM 1178 C ASP A 76 -25.980 29.287 9.105 1.00 0.00 C ATOM 1179 O ASP A 76 -24.967 28.590 9.062 1.00 0.00 O ATOM 1180 CB ASP A 76 -25.104 31.618 8.836 1.00 0.00 C ATOM 1181 CG ASP A 76 -25.025 32.895 8.010 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -24.812 32.798 6.825 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.333 33.937 8.535 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.656 31.720 9.064 1.00 0.00 H new ATOM 0 HA ASP A 76 -25.810 30.342 7.258 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.399 31.875 9.853 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.110 31.175 8.895 1.00 0.00 H new ATOM 1188 N ASP A 77 -27.037 28.983 9.849 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.133 27.711 10.557 1.00 0.00 C ATOM 1190 C ASP A 77 -27.072 26.536 9.591 1.00 0.00 C ATOM 1191 O ASP A 77 -27.836 26.467 8.630 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.425 27.648 11.377 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.581 26.387 12.211 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.914 25.420 11.923 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.244 26.444 13.219 1.00 0.00 O1- ATOM 0 H ASP A 77 -27.840 29.599 9.978 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.280 27.643 11.233 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.463 28.513 12.039 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.275 27.728 10.699 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.154 25.611 9.852 1.00 0.00 N ATOM 1201 CA GLY A 78 -25.974 24.443 8.995 1.00 0.00 C ATOM 1202 C GLY A 78 -24.610 23.800 9.219 1.00 0.00 C ATOM 1203 O GLY A 78 -23.940 24.073 10.212 1.00 0.00 O ATOM 0 H GLY A 78 -25.522 25.647 10.652 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.760 23.715 9.198 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -26.073 24.737 7.950 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.206 22.944 8.285 1.00 0.00 N ATOM 1208 CA ASN A 79 -22.983 22.168 8.437 1.00 0.00 C ATOM 1209 C ASN A 79 -21.872 22.714 7.551 1.00 0.00 C ATOM 1210 O ASN A 79 -21.919 22.580 6.328 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.219 20.699 8.138 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.248 20.058 9.028 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.100 20.019 10.255 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.249 19.484 8.410 1.00 0.00 N ATOM 0 H ASN A 79 -24.709 22.771 7.415 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.670 22.258 9.477 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.534 20.595 7.100 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.277 20.161 8.241 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -25.953 18.975 8.944 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.325 19.546 7.395 1.00 0.00 H new ATOM 1221 N TYR A 80 -20.873 23.331 8.174 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.723 23.854 7.444 1.00 0.00 C ATOM 1223 C TYR A 80 -18.695 22.767 7.177 1.00 0.00 C ATOM 1224 O TYR A 80 -17.610 22.767 7.757 1.00 0.00 O ATOM 1225 CB TYR A 80 -19.080 25.007 8.220 1.00 0.00 C ATOM 1226 CG TYR A 80 -19.955 26.235 8.331 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -21.000 26.286 9.239 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.727 27.343 7.526 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -21.801 27.407 9.346 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.523 28.471 7.623 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.559 28.498 8.535 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.354 29.616 8.636 1.00 0.00 O ATOM 0 H TYR A 80 -20.836 23.481 9.182 1.00 0.00 H new ATOM 0 HA TYR A 80 -20.079 24.225 6.483 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -18.828 24.661 9.222 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.145 25.282 7.733 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.192 25.434 9.875 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.916 27.324 6.813 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.611 27.430 10.060 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.335 29.325 6.989 1.00 0.00 H new ATOM 0 HH TYR A 80 -23.281 29.344 8.801 1.00 0.00 H new ATOM 1242 N THR A 81 -19.041 21.836 6.294 1.00 0.00 N ATOM 1243 CA THR A 81 -18.226 20.646 6.071 1.00 0.00 C ATOM 1244 C THR A 81 -16.870 21.012 5.483 1.00 0.00 C ATOM 1245 O THR A 81 -16.782 21.817 4.555 1.00 0.00 O ATOM 1246 CB THR A 81 -18.928 19.646 5.132 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.188 19.260 5.696 1.00 0.00 O ATOM 1248 CG2 THR A 81 -18.067 18.409 4.931 1.00 0.00 C ATOM 0 H THR A 81 -19.883 21.883 5.719 1.00 0.00 H new ATOM 0 HA THR A 81 -18.083 20.176 7.044 1.00 0.00 H new ATOM 0 HB THR A 81 -19.086 20.127 4.167 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.634 18.625 5.097 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.579 17.714 4.265 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.113 18.698 4.491 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.892 17.927 5.893 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.814 20.415 6.027 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.468 20.626 5.515 1.00 0.00 C ATOM 1258 C ILE A 82 -13.936 19.373 4.829 1.00 0.00 C ATOM 1259 O ILE A 82 -14.157 18.257 5.298 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.496 21.039 6.636 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -12.047 20.822 6.193 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.790 20.258 7.908 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -11.024 21.293 7.201 1.00 0.00 C ATOM 0 H ILE A 82 -15.867 19.780 6.824 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.532 21.434 4.787 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.636 22.100 6.844 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.891 19.761 6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.883 21.345 5.251 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -13.094 20.562 8.690 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.811 20.461 8.232 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.676 19.191 7.715 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.021 21.106 6.816 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.152 22.361 7.377 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.160 20.752 8.137 1.00 0.00 H new ATOM 1275 N MET A 83 -13.240 19.565 3.713 1.00 0.00 N ATOM 1276 CA MET A 83 -12.701 18.451 2.943 1.00 0.00 C ATOM 1277 C MET A 83 -11.199 18.594 2.744 1.00 0.00 C ATOM 1278 O MET A 83 -10.728 19.573 2.165 1.00 0.00 O ATOM 1279 CB MET A 83 -13.407 18.355 1.592 1.00 0.00 C ATOM 1280 CG MET A 83 -12.891 17.241 0.690 1.00 0.00 C ATOM 1281 SD MET A 83 -13.830 17.095 -0.843 1.00 0.00 S ATOM 1282 CE MET A 83 -13.297 18.570 -1.707 1.00 0.00 C ATOM 0 H MET A 83 -13.036 20.484 3.321 1.00 0.00 H new ATOM 0 HA MET A 83 -12.880 17.534 3.504 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.473 18.203 1.763 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.300 19.307 1.071 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.843 17.427 0.453 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.933 16.294 1.229 1.00 0.00 H new ATOM 0 HE1 MET A 83 -13.633 18.526 -2.743 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.723 19.449 -1.224 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.209 18.634 -1.681 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.446 17.611 3.228 1.00 0.00 N ATOM 1293 CA ALA A 84 -8.999 17.600 3.057 1.00 0.00 C ATOM 1294 C ALA A 84 -8.601 16.831 1.802 1.00 0.00 C ATOM 1295 O ALA A 84 -8.275 15.649 1.862 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.325 17.001 4.284 1.00 0.00 C ATOM 0 H ALA A 84 -10.815 16.811 3.742 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.664 18.631 2.941 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.244 17.000 4.141 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.574 17.596 5.163 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.673 15.978 4.428 1.00 0.00 H new ATOM 1302 N ALA A 85 -8.627 17.518 0.661 1.00 0.00 N ATOM 1303 CA ALA A 85 -8.349 16.883 -0.620 1.00 0.00 C ATOM 1304 C ALA A 85 -6.888 17.052 -1.015 1.00 0.00 C ATOM 1305 O ALA A 85 -6.403 18.174 -1.176 1.00 0.00 O ATOM 1306 CB ALA A 85 -9.265 17.443 -1.699 1.00 0.00 C ATOM 0 H ALA A 85 -8.838 18.514 0.601 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.544 15.816 -0.516 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.045 16.959 -2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.304 17.255 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.103 18.517 -1.793 1.00 0.00 H new ATOM 1312 N ASN A 86 -6.189 15.933 -1.173 1.00 0.00 N ATOM 1313 CA ASN A 86 -4.817 15.951 -1.665 1.00 0.00 C ATOM 1314 C ASN A 86 -4.557 14.788 -2.614 1.00 0.00 C ATOM 1315 O ASN A 86 -5.447 13.981 -2.879 1.00 0.00 O ATOM 1316 CB ASN A 86 -3.815 15.927 -0.523 1.00 0.00 C ATOM 1317 CG ASN A 86 -3.630 14.568 0.090 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -4.312 13.602 -0.271 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -2.767 14.505 1.072 1.00 0.00 N ATOM 0 H ASN A 86 -6.551 15.002 -0.967 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.686 16.883 -2.214 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -2.852 16.285 -0.888 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.142 16.623 0.250 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -2.633 13.630 1.578 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.228 15.331 1.331 1.00 0.00 H new ATOM 1326 N PRO A 87 -3.332 14.708 -3.124 1.00 0.00 N ATOM 1327 CA PRO A 87 -2.983 13.708 -4.123 1.00 0.00 C ATOM 1328 C PRO A 87 -3.216 12.298 -3.598 1.00 0.00 C ATOM 1329 O PRO A 87 -3.432 11.362 -4.368 1.00 0.00 O ATOM 1330 CB PRO A 87 -1.503 13.976 -4.418 1.00 0.00 C ATOM 1331 CG PRO A 87 -1.318 15.422 -4.109 1.00 0.00 C ATOM 1332 CD PRO A 87 -2.213 15.694 -2.928 1.00 0.00 C ATOM 0 HA PRO A 87 -3.597 13.777 -5.021 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.856 13.352 -3.801 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.259 13.758 -5.458 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.277 15.644 -3.873 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.591 16.044 -4.961 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.695 15.535 -1.982 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.576 16.722 -2.924 1.00 0.00 H new ATOM 1340 N GLN A 88 -3.175 12.152 -2.277 1.00 0.00 N ATOM 1341 CA GLN A 88 -3.221 10.834 -1.649 1.00 0.00 C ATOM 1342 C GLN A 88 -4.647 10.445 -1.287 1.00 0.00 C ATOM 1343 O GLN A 88 -4.880 9.402 -0.682 1.00 0.00 O ATOM 1344 CB GLN A 88 -2.344 10.807 -0.394 1.00 0.00 C ATOM 1345 CG GLN A 88 -0.888 11.156 -0.645 1.00 0.00 C ATOM 1346 CD GLN A 88 -0.235 10.229 -1.653 1.00 0.00 C ATOM 1347 OE1 GLN A 88 -0.347 9.004 -1.554 1.00 0.00 O ATOM 1348 NE2 GLN A 88 0.456 10.809 -2.628 1.00 0.00 N ATOM 0 H GLN A 88 -3.110 12.930 -1.620 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.839 10.111 -2.370 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.753 11.505 0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.396 9.813 0.051 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.820 12.183 -1.003 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -0.339 11.110 0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.522 11.826 -2.671 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.921 10.237 -3.334 1.00 0.00 H new ATOM 1357 N GLY A 89 -5.600 11.293 -1.663 1.00 0.00 N ATOM 1358 CA GLY A 89 -7.009 11.023 -1.407 1.00 0.00 C ATOM 1359 C GLY A 89 -7.684 12.209 -0.732 1.00 0.00 C ATOM 1360 O GLY A 89 -7.082 13.274 -0.580 1.00 0.00 O ATOM 0 H GLY A 89 -5.421 12.173 -2.146 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -7.515 10.799 -2.346 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.104 10.140 -0.775 1.00 0.00 H new ATOM 1364 N ARG A 90 -8.934 12.020 -0.328 1.00 0.00 N ATOM 1365 CA ARG A 90 -9.708 13.088 0.298 1.00 0.00 C ATOM 1366 C ARG A 90 -10.589 12.549 1.418 1.00 0.00 C ATOM 1367 O ARG A 90 -10.989 11.382 1.396 1.00 0.00 O ATOM 1368 CB ARG A 90 -10.521 13.878 -0.717 1.00 0.00 C ATOM 1369 CG ARG A 90 -11.600 13.082 -1.432 1.00 0.00 C ATOM 1370 CD ARG A 90 -12.373 13.860 -2.434 1.00 0.00 C ATOM 1371 NE ARG A 90 -13.486 13.136 -3.030 1.00 0.00 N ATOM 1372 CZ ARG A 90 -14.294 13.632 -3.988 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -14.144 14.860 -4.433 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -15.260 12.857 -4.451 1.00 0.00 N ATOM 0 H ARG A 90 -9.435 11.137 -0.422 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.994 13.782 0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.989 14.721 -0.209 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.841 14.292 -1.462 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.137 12.230 -1.930 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.290 12.681 -0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.756 14.763 -1.958 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -11.697 14.180 -3.227 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.667 12.188 -2.700 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -13.407 15.454 -4.053 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -14.765 15.219 -5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -15.377 11.913 -4.083 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -15.888 13.203 -5.176 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.886 13.399 2.389 1.00 0.00 N ATOM 1389 CA VAL A 91 -11.736 13.014 3.511 1.00 0.00 C ATOM 1390 C VAL A 91 -12.449 14.225 4.103 1.00 0.00 C ATOM 1391 O VAL A 91 -11.858 15.294 4.245 1.00 0.00 O ATOM 1392 CB VAL A 91 -10.927 12.314 4.619 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -9.820 13.226 5.128 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -11.840 11.897 5.762 1.00 0.00 C ATOM 0 H VAL A 91 -10.552 14.362 2.425 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.476 12.316 3.119 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.470 11.419 4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.259 12.715 5.910 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.150 13.478 4.306 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.258 14.139 5.532 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -11.252 11.404 6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -12.325 12.779 6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.599 11.209 5.389 1.00 0.00 H new ATOM 1404 N SER A 92 -13.718 14.049 4.447 1.00 0.00 N ATOM 1405 CA SER A 92 -14.556 15.160 4.885 1.00 0.00 C ATOM 1406 C SER A 92 -14.838 15.083 6.378 1.00 0.00 C ATOM 1407 O SER A 92 -14.711 14.021 6.993 1.00 0.00 O ATOM 1408 CB SER A 92 -15.854 15.174 4.103 1.00 0.00 C ATOM 1409 OG SER A 92 -16.630 14.034 4.349 1.00 0.00 O ATOM 0 H SER A 92 -14.191 13.146 4.431 1.00 0.00 H new ATOM 0 HA SER A 92 -14.016 16.087 4.694 1.00 0.00 H new ATOM 0 HB2 SER A 92 -16.425 16.064 4.366 1.00 0.00 H new ATOM 0 HB3 SER A 92 -15.634 15.239 3.037 1.00 0.00 H new ATOM 0 HG SER A 92 -17.458 14.083 3.827 1.00 0.00 H new ATOM 1415 N CYS A 93 -15.219 16.215 6.962 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.658 16.251 8.352 1.00 0.00 C ATOM 1417 C CYS A 93 -16.695 17.341 8.576 1.00 0.00 C ATOM 1418 O CYS A 93 -16.542 18.466 8.095 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.368 16.573 9.105 1.00 0.00 C ATOM 1420 SG CYS A 93 -14.561 16.708 10.899 1.00 0.00 S ATOM 0 H CYS A 93 -15.232 17.121 6.493 1.00 0.00 H new ATOM 0 HA CYS A 93 -16.134 15.325 8.673 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.633 15.798 8.889 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -13.964 17.511 8.724 1.00 0.00 H new ATOM 0 HG CYS A 93 -13.411 16.980 11.440 1.00 0.00 H new ATOM 1426 N THR A 94 -17.754 17.006 9.306 1.00 0.00 N ATOM 1427 CA THR A 94 -18.894 17.902 9.456 1.00 0.00 C ATOM 1428 C THR A 94 -18.557 19.078 10.361 1.00 0.00 C ATOM 1429 O THR A 94 -18.036 18.896 11.462 1.00 0.00 O ATOM 1430 CB THR A 94 -20.121 17.165 10.027 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.468 16.071 9.167 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.306 18.110 10.142 1.00 0.00 C ATOM 0 H THR A 94 -17.846 16.120 9.803 1.00 0.00 H new ATOM 0 HA THR A 94 -19.134 18.272 8.459 1.00 0.00 H new ATOM 0 HB THR A 94 -19.871 16.791 11.020 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.247 15.602 9.532 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.163 17.572 10.547 1.00 0.00 H new ATOM 0 HG22 THR A 94 -21.050 18.936 10.806 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.556 18.501 9.156 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.854 20.285 9.894 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.644 21.490 10.686 1.00 0.00 C ATOM 1442 C GLY A 95 -19.961 22.014 11.247 1.00 0.00 C ATOM 1443 O GLY A 95 -20.319 23.172 11.033 1.00 0.00 O ATOM 0 H GLY A 95 -19.243 20.455 8.966 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.956 21.276 11.504 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.177 22.258 10.069 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.675 21.156 11.966 1.00 0.00 N ATOM 1448 CA ARG A 96 -21.996 21.498 12.479 1.00 0.00 C ATOM 1449 C ARG A 96 -21.959 22.789 13.286 1.00 0.00 C ATOM 1450 O ARG A 96 -21.311 22.858 14.329 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.612 20.360 13.280 1.00 0.00 C ATOM 1452 CG ARG A 96 -24.035 20.610 13.756 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.672 19.443 14.418 1.00 0.00 C ATOM 1454 NE ARG A 96 -26.060 19.650 14.798 1.00 0.00 N ATOM 1455 CZ ARG A 96 -26.797 18.775 15.510 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.298 17.621 15.890 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -28.046 19.100 15.797 1.00 0.00 N ATOM 0 H ARG A 96 -20.360 20.216 12.207 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.640 21.663 11.616 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.602 19.458 12.669 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -21.983 20.164 14.148 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -24.031 21.450 14.451 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.645 20.906 12.902 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.616 18.585 13.748 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -24.098 19.189 15.309 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.507 20.519 14.505 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.338 17.375 15.647 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -26.870 16.971 16.429 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.426 19.992 15.481 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.629 18.459 16.334 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.653 23.809 12.797 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.857 25.034 13.564 1.00 0.00 C ATOM 1473 C LEU A 97 -24.340 25.369 13.680 1.00 0.00 C ATOM 1474 O LEU A 97 -24.991 25.705 12.689 1.00 0.00 O ATOM 1475 CB LEU A 97 -22.095 26.198 12.918 1.00 0.00 C ATOM 1476 CG LEU A 97 -22.369 27.578 13.531 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -21.948 27.592 14.994 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -21.619 28.642 12.743 1.00 0.00 C ATOM 0 H LEU A 97 -23.085 23.813 11.873 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.469 24.873 14.570 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.026 25.994 12.985 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.347 26.232 11.858 1.00 0.00 H new ATOM 0 HG LEU A 97 -23.436 27.793 13.482 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -22.146 28.575 15.420 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.513 26.838 15.542 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.883 27.372 15.068 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -21.814 29.622 13.178 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.549 28.435 12.779 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -21.956 28.632 11.706 1.00 0.00 H new ATOM 1490 N MET A 98 -24.869 25.273 14.894 1.00 0.00 N ATOM 1491 CA MET A 98 -26.274 25.571 15.144 1.00 0.00 C ATOM 1492 C MET A 98 -26.453 26.992 15.665 1.00 0.00 C ATOM 1493 O MET A 98 -25.644 27.485 16.452 1.00 0.00 O ATOM 1494 CB MET A 98 -26.857 24.567 16.137 1.00 0.00 C ATOM 1495 CG MET A 98 -26.814 23.119 15.669 1.00 0.00 C ATOM 1496 SD MET A 98 -27.799 22.839 14.184 1.00 0.00 S ATOM 1497 CE MET A 98 -29.453 23.082 14.826 1.00 0.00 C ATOM 0 H MET A 98 -24.345 24.991 15.722 1.00 0.00 H new ATOM 0 HA MET A 98 -26.810 25.489 14.198 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.313 24.648 17.078 1.00 0.00 H new ATOM 0 HB3 MET A 98 -27.892 24.838 16.343 1.00 0.00 H new ATOM 0 HG2 MET A 98 -25.780 22.835 15.473 1.00 0.00 H new ATOM 0 HG3 MET A 98 -27.176 22.472 16.468 1.00 0.00 H new ATOM 0 HE1 MET A 98 -30.180 22.674 14.123 1.00 0.00 H new ATOM 0 HE2 MET A 98 -29.550 22.573 15.785 1.00 0.00 H new ATOM 0 HE3 MET A 98 -29.638 24.148 14.961 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.518 27.651 15.219 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.778 29.036 15.596 1.00 0.00 C ATOM 1509 C VAL A 99 -29.087 29.161 16.361 1.00 0.00 C ATOM 1510 O VAL A 99 -30.142 28.739 15.884 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.824 29.959 14.363 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -28.101 31.394 14.784 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.521 29.874 13.585 1.00 0.00 C ATOM 0 H VAL A 99 -28.216 27.247 14.595 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.954 29.346 16.239 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.634 29.627 13.714 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -28.130 32.033 13.901 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -29.060 31.443 15.300 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.311 31.736 15.453 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.571 30.532 12.718 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.694 30.181 14.226 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.362 28.848 13.253 1.00 0.00 H new ATOM 1523 N GLN A 100 -29.018 29.744 17.554 1.00 0.00 N ATOM 1524 CA GLN A 100 -30.205 29.975 18.365 1.00 0.00 C ATOM 1525 C GLN A 100 -30.681 31.416 18.245 1.00 0.00 C ATOM 1526 O GLN A 100 -29.915 32.356 18.444 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.921 29.645 19.834 1.00 0.00 C ATOM 1528 CG GLN A 100 -31.124 29.798 20.749 1.00 0.00 C ATOM 1529 CD GLN A 100 -30.826 29.371 22.174 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -29.741 28.863 22.470 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -31.790 29.569 23.064 1.00 0.00 N ATOM 0 H GLN A 100 -28.149 30.065 17.980 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.993 29.319 17.995 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -29.556 28.620 19.901 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -29.121 30.293 20.192 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -31.450 30.838 20.745 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -31.951 29.204 20.360 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -32.672 29.993 22.775 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -31.649 29.298 24.037 1.00 0.00 H new