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 58:sc= 0.849 USER MOD Set 1.2: A 69 THR OG1 : rot -87:sc= 0.0411 USER MOD Set 1.3: A 80 TYR OH : rot -37:sc= 0.622 USER MOD Set 2.1: A 26 THR OG1 : rot -35:sc= 1.2 USER MOD Set 2.2: A 68 HIS : no HD1:sc= 0.895 K(o=2.1,f=-4.9!) USER MOD Single : A 12 MET CE :methyl 174:sc= -0.673 (180deg=-0.766) 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= -0.486 K(o=-0.49,f=-2.8!) USER MOD Single : A 17 TYR OH : rot 90:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -128:sc=-0.00356 (180deg=-0.589) USER MOD Single : A 28 THR OG1 : rot 29:sc= 0.651 USER MOD Single : A 29 CYS SG : rot 34:sc= -0.379 USER MOD Single : A 34 ASN : amide:sc= -0.0484 K(o=-0.048,f=-1.7!) USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= 0.923 (180deg=0.923) 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+ 172:sc= 1.84 (180deg=1.75) 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=-0.85) 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= 0.524 USER MOD Single : A 54 HIS : no HD1:sc= -0.0125 K(o=-0.012,f=-1.4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.335 USER MOD Single : A 65 CYS SG : rot 20:sc= 0.713 USER MOD Single : A 66 SER OG : rot 33:sc= 0.00942 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 90:sc= 0 USER MOD Single : A 73 THR OG1 : rot -56:sc= 0.834 USER MOD Single : A 79 ASN : amide:sc= -0.0207 K(o=-0.021,f=-1.9!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 131:sc= -0.0722 (180deg=-0.516) USER MOD Single : A 86 ASN : amide:sc= -0.963! C(o=-0.96!,f=-11!) USER MOD Single : A 88 GLN : amide:sc= -0.0908 X(o=-0.091,f=-0.14) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 CYS SG : rot 180:sc= 0.00704 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 MET CE :methyl -163:sc= -0.0402 (180deg=-0.387) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 7 -1.911 9.195 3.577 1.00 0.00 N ATOM 67 CA ALA A 7 -3.309 9.520 3.324 1.00 0.00 C ATOM 68 C ALA A 7 -3.744 10.735 4.134 1.00 0.00 C ATOM 69 O ALA A 7 -3.185 11.023 5.191 1.00 0.00 O ATOM 70 CB ALA A 7 -4.199 8.326 3.633 1.00 0.00 C ATOM 0 HA ALA A 7 -3.412 9.765 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.239 8.587 3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.912 7.485 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.085 8.049 4.681 1.00 0.00 H new ATOM 76 N PRO A 8 -4.749 11.446 3.632 1.00 0.00 N ATOM 77 CA PRO A 8 -5.267 12.627 4.313 1.00 0.00 C ATOM 78 C PRO A 8 -5.887 12.261 5.658 1.00 0.00 C ATOM 79 O PRO A 8 -6.468 11.186 5.813 1.00 0.00 O ATOM 80 CB PRO A 8 -6.301 13.198 3.339 1.00 0.00 C ATOM 81 CG PRO A 8 -6.684 12.039 2.482 1.00 0.00 C ATOM 82 CD PRO A 8 -5.431 11.216 2.341 1.00 0.00 C ATOM 0 HA PRO A 8 -4.489 13.352 4.550 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.164 13.603 3.868 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.881 14.010 2.745 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.485 11.459 2.940 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.047 12.372 1.510 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.654 10.161 2.183 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -4.823 11.543 1.497 1.00 0.00 H new ATOM 90 N PHE A 9 -5.757 13.158 6.628 1.00 0.00 N ATOM 91 CA PHE A 9 -6.252 12.906 7.975 1.00 0.00 C ATOM 92 C PHE A 9 -6.364 14.202 8.770 1.00 0.00 C ATOM 93 O PHE A 9 -5.499 15.071 8.683 1.00 0.00 O ATOM 94 CB PHE A 9 -5.339 11.918 8.702 1.00 0.00 C ATOM 95 CG PHE A 9 -5.725 11.678 10.135 1.00 0.00 C ATOM 96 CD1 PHE A 9 -6.823 10.891 10.450 1.00 0.00 C ATOM 97 CD2 PHE A 9 -4.992 12.238 11.169 1.00 0.00 C ATOM 98 CE1 PHE A 9 -7.179 10.670 11.766 1.00 0.00 C ATOM 99 CE2 PHE A 9 -5.344 12.018 12.487 1.00 0.00 C ATOM 100 CZ PHE A 9 -6.441 11.233 12.784 1.00 0.00 C ATOM 0 H PHE A 9 -5.312 14.068 6.506 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.248 12.471 7.891 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -5.349 10.968 8.168 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -4.315 12.291 8.669 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.406 10.446 9.657 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.135 12.854 10.942 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -8.036 10.055 11.997 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.763 12.459 13.283 1.00 0.00 H new ATOM 0 HZ PHE A 9 -6.720 11.061 13.813 1.00 0.00 H new ATOM 110 N PHE A 10 -7.435 14.322 9.550 1.00 0.00 N ATOM 111 CA PHE A 10 -7.618 15.470 10.427 1.00 0.00 C ATOM 112 C PHE A 10 -7.004 15.219 11.800 1.00 0.00 C ATOM 113 O PHE A 10 -7.613 14.576 12.654 1.00 0.00 O ATOM 114 CB PHE A 10 -9.104 15.803 10.567 1.00 0.00 C ATOM 115 CG PHE A 10 -9.736 16.302 9.298 1.00 0.00 C ATOM 116 CD1 PHE A 10 -9.408 17.548 8.786 1.00 0.00 C ATOM 117 CD2 PHE A 10 -10.658 15.523 8.615 1.00 0.00 C ATOM 118 CE1 PHE A 10 -9.989 18.007 7.620 1.00 0.00 C ATOM 119 CE2 PHE A 10 -11.241 15.981 7.447 1.00 0.00 C ATOM 120 CZ PHE A 10 -10.906 17.222 6.950 1.00 0.00 C ATOM 0 H PHE A 10 -8.189 13.636 9.591 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.105 16.320 9.976 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -9.636 14.913 10.901 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -9.226 16.558 11.344 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -8.690 18.166 9.305 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -10.924 14.549 8.999 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -9.726 18.980 7.232 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.959 15.366 6.925 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.360 17.580 6.038 1.00 0.00 H new ATOM 130 N GLU A 11 -5.793 15.729 11.999 1.00 0.00 N ATOM 131 CA GLU A 11 -5.136 15.647 13.298 1.00 0.00 C ATOM 132 C GLU A 11 -5.828 16.534 14.325 1.00 0.00 C ATOM 133 O GLU A 11 -5.677 16.341 15.530 1.00 0.00 O ATOM 134 CB GLU A 11 -3.661 16.037 13.177 1.00 0.00 C ATOM 135 CG GLU A 11 -3.421 17.521 12.936 1.00 0.00 C ATOM 136 CD GLU A 11 -1.952 17.842 12.931 1.00 0.00 C ATOM 137 OE1 GLU A 11 -1.309 17.608 13.925 1.00 0.00 O ATOM 138 OE2 GLU A 11 -1.450 18.217 11.897 1.00 0.00 O1- ATOM 0 H GLU A 11 -5.248 16.203 11.279 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.204 14.614 13.640 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.143 15.741 14.089 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.214 15.472 12.359 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -3.863 17.813 11.983 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.920 18.103 13.711 1.00 0.00 H new ATOM 145 N MET A 12 -6.591 17.509 13.838 1.00 0.00 N ATOM 146 CA MET A 12 -7.481 18.285 14.693 1.00 0.00 C ATOM 147 C MET A 12 -8.842 18.480 14.038 1.00 0.00 C ATOM 148 O MET A 12 -8.960 19.159 13.018 1.00 0.00 O ATOM 149 CB MET A 12 -6.853 19.640 15.018 1.00 0.00 C ATOM 150 CG MET A 12 -7.697 20.524 15.925 1.00 0.00 C ATOM 151 SD MET A 12 -6.880 22.078 16.337 1.00 0.00 S ATOM 152 CE MET A 12 -7.035 22.963 14.789 1.00 0.00 C ATOM 0 H MET A 12 -6.610 17.780 12.855 1.00 0.00 H new ATOM 0 HA MET A 12 -7.628 17.729 15.619 1.00 0.00 H new ATOM 0 HB2 MET A 12 -5.885 19.474 15.491 1.00 0.00 H new ATOM 0 HB3 MET A 12 -6.665 20.172 14.086 1.00 0.00 H new ATOM 0 HG2 MET A 12 -8.648 20.736 15.436 1.00 0.00 H new ATOM 0 HG3 MET A 12 -7.925 19.983 16.844 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.672 23.983 14.915 1.00 0.00 H new ATOM 0 HE2 MET A 12 -6.446 22.460 14.022 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.082 22.985 14.486 1.00 0.00 H new ATOM 162 N LYS A 13 -9.870 17.881 14.634 1.00 0.00 N ATOM 163 CA LYS A 13 -11.179 17.796 13.997 1.00 0.00 C ATOM 164 C LYS A 13 -12.132 18.851 14.548 1.00 0.00 C ATOM 165 O LYS A 13 -11.855 19.471 15.575 1.00 0.00 O ATOM 166 CB LYS A 13 -11.774 16.399 14.183 1.00 0.00 C ATOM 167 CG LYS A 13 -10.966 15.279 13.542 1.00 0.00 C ATOM 168 CD LYS A 13 -11.643 13.931 13.730 1.00 0.00 C ATOM 169 CE LYS A 13 -10.878 12.823 13.021 1.00 0.00 C ATOM 170 NZ LYS A 13 -11.545 11.501 13.172 1.00 0.00 N1+ ATOM 0 H LYS A 13 -9.821 17.448 15.556 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.044 17.985 12.932 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.869 16.197 15.250 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -12.781 16.388 13.766 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.842 15.481 12.478 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.968 15.251 13.980 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.715 13.703 14.793 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.662 13.977 13.344 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.788 13.065 11.962 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.866 12.767 13.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.992 10.774 12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.608 11.257 14.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.501 11.546 12.766 1.00 0.00 H new ATOM 184 N LEU A 14 -13.249 19.050 13.859 1.00 0.00 N ATOM 185 CA LEU A 14 -14.263 19.998 14.303 1.00 0.00 C ATOM 186 C LEU A 14 -15.190 19.371 15.333 1.00 0.00 C ATOM 187 O LEU A 14 -15.154 18.163 15.564 1.00 0.00 O ATOM 188 CB LEU A 14 -15.069 20.514 13.104 1.00 0.00 C ATOM 189 CG LEU A 14 -14.249 21.247 12.034 1.00 0.00 C ATOM 190 CD1 LEU A 14 -15.139 21.606 10.850 1.00 0.00 C ATOM 191 CD2 LEU A 14 -13.625 22.496 12.638 1.00 0.00 C ATOM 0 H LEU A 14 -13.476 18.567 12.990 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.755 20.838 14.776 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -15.575 19.670 12.636 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -15.844 21.187 13.470 1.00 0.00 H new ATOM 0 HG LEU A 14 -13.452 20.595 11.677 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.549 22.126 10.096 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.557 20.696 10.420 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.949 22.253 11.187 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.043 23.016 11.877 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -14.412 23.154 13.006 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.973 22.214 13.464 1.00 0.00 H new ATOM 203 N LYS A 15 -16.024 20.201 15.953 1.00 0.00 N ATOM 204 CA LYS A 15 -17.024 19.717 16.898 1.00 0.00 C ATOM 205 C LYS A 15 -18.377 20.375 16.653 1.00 0.00 C ATOM 206 O LYS A 15 -18.522 21.195 15.748 1.00 0.00 O ATOM 207 CB LYS A 15 -16.569 19.970 18.336 1.00 0.00 C ATOM 208 CG LYS A 15 -16.396 21.441 18.692 1.00 0.00 C ATOM 209 CD LYS A 15 -15.893 21.609 20.118 1.00 0.00 C ATOM 210 CE LYS A 15 -15.781 23.079 20.495 1.00 0.00 C ATOM 211 NZ LYS A 15 -15.307 23.259 21.894 1.00 0.00 N1+ ATOM 0 H LYS A 15 -16.027 21.212 15.818 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.134 18.643 16.746 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.295 19.527 19.017 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -15.622 19.455 18.501 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.694 21.905 17.999 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.348 21.960 18.576 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.571 21.105 20.807 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -14.920 21.130 20.221 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -15.093 23.578 19.812 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.752 23.559 20.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.244 24.274 22.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.976 22.805 22.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.369 22.823 22.001 1.00 0.00 H new ATOM 225 N HIS A 16 -19.362 20.008 17.468 1.00 0.00 N ATOM 226 CA HIS A 16 -20.681 20.619 17.393 1.00 0.00 C ATOM 227 C HIS A 16 -20.669 22.031 17.963 1.00 0.00 C ATOM 228 O HIS A 16 -20.551 22.220 19.175 1.00 0.00 O ATOM 229 CB HIS A 16 -21.715 19.764 18.132 1.00 0.00 C ATOM 230 CG HIS A 16 -23.121 20.258 17.985 1.00 0.00 C ATOM 231 ND1 HIS A 16 -24.192 19.653 18.608 1.00 0.00 N ATOM 232 CD2 HIS A 16 -23.631 21.298 17.286 1.00 0.00 C ATOM 233 CE1 HIS A 16 -25.301 20.302 18.299 1.00 0.00 C ATOM 234 NE2 HIS A 16 -24.988 21.303 17.497 1.00 0.00 N ATOM 0 H HIS A 16 -19.270 19.290 18.187 1.00 0.00 H new ATOM 0 HA HIS A 16 -20.958 20.678 16.340 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -21.658 18.740 17.762 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -21.459 19.734 19.191 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -24.137 18.833 19.212 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -23.075 21.994 16.676 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -26.294 20.055 18.644 1.00 0.00 H new ATOM 242 N TYR A 17 -20.793 23.023 17.088 1.00 0.00 N ATOM 243 CA TYR A 17 -20.725 24.420 17.494 1.00 0.00 C ATOM 244 C TYR A 17 -22.119 25.007 17.682 1.00 0.00 C ATOM 245 O TYR A 17 -23.054 24.657 16.961 1.00 0.00 O ATOM 246 CB TYR A 17 -19.945 25.239 16.463 1.00 0.00 C ATOM 247 CG TYR A 17 -18.523 24.766 16.254 1.00 0.00 C ATOM 248 CD1 TYR A 17 -17.555 24.973 17.224 1.00 0.00 C ATOM 249 CD2 TYR A 17 -18.154 24.115 15.086 1.00 0.00 C ATOM 250 CE1 TYR A 17 -16.254 24.545 17.039 1.00 0.00 C ATOM 251 CE2 TYR A 17 -16.857 23.681 14.890 1.00 0.00 C ATOM 252 CZ TYR A 17 -15.909 23.898 15.870 1.00 0.00 C ATOM 253 OH TYR A 17 -14.616 23.469 15.679 1.00 0.00 O ATOM 0 H TYR A 17 -20.942 22.883 16.089 1.00 0.00 H new ATOM 0 HA TYR A 17 -20.204 24.465 18.450 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -20.473 25.203 15.510 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -19.928 26.282 16.779 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -17.822 25.478 18.141 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -18.893 23.945 14.317 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.512 24.716 17.805 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -16.586 23.175 13.975 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.520 22.556 16.021 1.00 0.00 H new ATOM 263 N LYS A 18 -22.250 25.902 18.654 1.00 0.00 N ATOM 264 CA LYS A 18 -23.511 26.593 18.892 1.00 0.00 C ATOM 265 C LYS A 18 -23.292 28.087 19.102 1.00 0.00 C ATOM 266 O LYS A 18 -22.348 28.498 19.775 1.00 0.00 O ATOM 267 CB LYS A 18 -24.230 25.990 20.099 1.00 0.00 C ATOM 268 CG LYS A 18 -24.711 24.560 19.897 1.00 0.00 C ATOM 269 CD LYS A 18 -25.496 24.062 21.102 1.00 0.00 C ATOM 270 CE LYS A 18 -25.942 22.620 20.916 1.00 0.00 C ATOM 271 NZ LYS A 18 -26.708 22.120 22.090 1.00 0.00 N1+ ATOM 0 H LYS A 18 -21.498 26.166 19.290 1.00 0.00 H new ATOM 0 HA LYS A 18 -24.135 26.464 18.007 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -23.558 26.016 20.957 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -25.087 26.617 20.346 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -25.337 24.508 19.006 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -23.855 23.908 19.724 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -24.880 24.141 21.998 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -26.368 24.697 21.258 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -26.559 22.543 20.021 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -25.069 21.988 20.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -26.994 21.134 21.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -26.111 22.169 22.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -27.555 22.707 22.227 1.00 0.00 H new ATOM 285 N ILE A 19 -24.173 28.895 18.520 1.00 0.00 N ATOM 286 CA ILE A 19 -24.051 30.346 18.603 1.00 0.00 C ATOM 287 C ILE A 19 -25.417 31.015 18.589 1.00 0.00 C ATOM 288 O ILE A 19 -26.374 30.486 18.020 1.00 0.00 O ATOM 289 CB ILE A 19 -23.203 30.910 17.449 1.00 0.00 C ATOM 290 CG1 ILE A 19 -22.767 32.345 17.758 1.00 0.00 C ATOM 291 CG2 ILE A 19 -23.980 30.856 16.143 1.00 0.00 C ATOM 292 CD1 ILE A 19 -21.748 32.448 18.868 1.00 0.00 C ATOM 0 H ILE A 19 -24.979 28.569 17.986 1.00 0.00 H new ATOM 0 HA ILE A 19 -23.552 30.564 19.547 1.00 0.00 H new ATOM 0 HB ILE A 19 -22.310 30.295 17.342 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -22.352 32.791 16.854 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -23.645 32.931 18.028 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -23.366 31.259 15.337 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -24.242 29.822 15.918 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -24.890 31.449 16.236 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -21.489 33.495 19.028 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -22.166 32.033 19.785 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -20.853 31.891 18.593 1.00 0.00 H new ATOM 304 N PHE A 20 -25.507 32.183 19.217 1.00 0.00 N ATOM 305 CA PHE A 20 -26.712 33.000 19.150 1.00 0.00 C ATOM 306 C PHE A 20 -26.792 33.759 17.833 1.00 0.00 C ATOM 307 O PHE A 20 -25.772 34.168 17.275 1.00 0.00 O ATOM 308 CB PHE A 20 -26.759 33.979 20.324 1.00 0.00 C ATOM 309 CG PHE A 20 -27.100 33.335 21.636 1.00 0.00 C ATOM 310 CD1 PHE A 20 -28.420 33.072 21.975 1.00 0.00 C ATOM 311 CD2 PHE A 20 -26.103 32.990 22.536 1.00 0.00 C ATOM 312 CE1 PHE A 20 -28.735 32.480 23.183 1.00 0.00 C ATOM 313 CE2 PHE A 20 -26.416 32.396 23.745 1.00 0.00 C ATOM 314 CZ PHE A 20 -27.732 32.142 24.068 1.00 0.00 C ATOM 0 H PHE A 20 -24.757 32.585 19.779 1.00 0.00 H new ATOM 0 HA PHE A 20 -27.571 32.332 19.210 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -25.791 34.472 20.413 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -27.494 34.755 20.109 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -29.210 33.333 21.287 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -25.070 33.187 22.290 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -29.766 32.282 23.435 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -25.630 32.131 24.436 1.00 0.00 H new ATOM 0 HZ PHE A 20 -27.977 31.679 25.012 1.00 0.00 H new ATOM 324 N GLU A 21 -28.011 33.944 17.337 1.00 0.00 N ATOM 325 CA GLU A 21 -28.226 34.626 16.065 1.00 0.00 C ATOM 326 C GLU A 21 -27.548 35.992 16.051 1.00 0.00 C ATOM 327 O GLU A 21 -27.796 36.827 16.921 1.00 0.00 O ATOM 328 CB GLU A 21 -29.722 34.778 15.783 1.00 0.00 C ATOM 329 CG GLU A 21 -30.048 35.412 14.438 1.00 0.00 C ATOM 330 CD GLU A 21 -31.532 35.554 14.246 1.00 0.00 C ATOM 331 OE1 GLU A 21 -32.267 35.099 15.089 1.00 0.00 O ATOM 332 OE2 GLU A 21 -31.930 36.215 13.315 1.00 0.00 O1- ATOM 0 H GLU A 21 -28.866 33.631 17.797 1.00 0.00 H new ATOM 0 HA GLU A 21 -27.779 34.015 15.280 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -30.190 33.795 15.830 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -30.169 35.382 16.573 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -29.575 36.392 14.371 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -29.632 34.802 13.636 1.00 0.00 H new ATOM 339 N GLY A 22 -26.694 36.213 15.058 1.00 0.00 N ATOM 340 CA GLY A 22 -26.114 37.530 14.826 1.00 0.00 C ATOM 341 C GLY A 22 -24.683 37.602 15.348 1.00 0.00 C ATOM 342 O GLY A 22 -23.930 38.510 15.000 1.00 0.00 O ATOM 0 H GLY A 22 -26.388 35.496 14.400 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -26.126 37.753 13.759 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.722 38.290 15.317 1.00 0.00 H new ATOM 346 N MET A 23 -24.315 36.637 16.186 1.00 0.00 N ATOM 347 CA MET A 23 -23.008 36.641 16.828 1.00 0.00 C ATOM 348 C MET A 23 -21.949 36.016 15.930 1.00 0.00 C ATOM 349 O MET A 23 -22.256 35.187 15.076 1.00 0.00 O ATOM 350 CB MET A 23 -23.075 35.899 18.162 1.00 0.00 C ATOM 351 CG MET A 23 -24.021 36.518 19.181 1.00 0.00 C ATOM 352 SD MET A 23 -23.518 38.177 19.679 1.00 0.00 S ATOM 353 CE MET A 23 -22.077 37.808 20.676 1.00 0.00 C ATOM 0 H MET A 23 -24.905 35.843 16.435 1.00 0.00 H new ATOM 0 HA MET A 23 -22.724 37.678 17.010 1.00 0.00 H new ATOM 0 HB2 MET A 23 -23.384 34.870 17.976 1.00 0.00 H new ATOM 0 HB3 MET A 23 -22.074 35.859 18.592 1.00 0.00 H new ATOM 0 HG2 MET A 23 -25.026 36.558 18.760 1.00 0.00 H new ATOM 0 HG3 MET A 23 -24.069 35.878 20.062 1.00 0.00 H new ATOM 0 HE1 MET A 23 -22.171 38.295 21.646 1.00 0.00 H new ATOM 0 HE2 MET A 23 -21.999 36.730 20.817 1.00 0.00 H new ATOM 0 HE3 MET A 23 -21.182 38.174 20.172 1.00 0.00 H new ATOM 363 N PRO A 24 -20.700 36.423 16.129 1.00 0.00 N ATOM 364 CA PRO A 24 -19.590 35.897 15.344 1.00 0.00 C ATOM 365 C PRO A 24 -19.219 34.486 15.790 1.00 0.00 C ATOM 366 O PRO A 24 -19.436 34.111 16.942 1.00 0.00 O ATOM 367 CB PRO A 24 -18.450 36.894 15.589 1.00 0.00 C ATOM 368 CG PRO A 24 -18.717 37.433 16.953 1.00 0.00 C ATOM 369 CD PRO A 24 -20.216 37.493 17.072 1.00 0.00 C ATOM 0 HA PRO A 24 -19.830 35.805 14.285 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.477 36.406 15.538 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.448 37.687 14.841 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.287 36.790 17.721 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.273 38.420 17.079 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -20.543 37.302 18.094 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.600 38.474 16.793 1.00 0.00 H new ATOM 377 N VAL A 25 -18.658 33.709 14.870 1.00 0.00 N ATOM 378 CA VAL A 25 -18.241 32.345 15.170 1.00 0.00 C ATOM 379 C VAL A 25 -16.855 32.058 14.600 1.00 0.00 C ATOM 380 O VAL A 25 -16.607 32.268 13.413 1.00 0.00 O ATOM 381 CB VAL A 25 -19.239 31.312 14.615 1.00 0.00 C ATOM 382 CG1 VAL A 25 -18.825 29.904 15.015 1.00 0.00 C ATOM 383 CG2 VAL A 25 -20.646 31.613 15.108 1.00 0.00 C ATOM 0 H VAL A 25 -18.481 34.001 13.909 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.211 32.256 16.256 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.233 31.377 13.527 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -19.541 29.187 14.615 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.834 29.689 14.616 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -18.803 29.826 16.102 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -21.338 30.873 14.706 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -20.666 31.575 16.197 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -20.943 32.607 14.774 1.00 0.00 H new ATOM 393 N THR A 26 -15.959 31.573 15.454 1.00 0.00 N ATOM 394 CA THR A 26 -14.604 31.234 15.030 1.00 0.00 C ATOM 395 C THR A 26 -14.297 29.763 15.306 1.00 0.00 C ATOM 396 O THR A 26 -14.452 29.290 16.430 1.00 0.00 O ATOM 397 CB THR A 26 -13.553 32.110 15.737 1.00 0.00 C ATOM 398 OG1 THR A 26 -13.798 33.490 15.434 1.00 0.00 O ATOM 399 CG2 THR A 26 -12.152 31.735 15.280 1.00 0.00 C ATOM 0 H THR A 26 -16.146 31.406 16.443 1.00 0.00 H new ATOM 0 HA THR A 26 -14.552 31.421 13.957 1.00 0.00 H new ATOM 0 HB THR A 26 -13.628 31.947 16.812 1.00 0.00 H new ATOM 0 HG1 THR A 26 -14.134 33.569 14.517 1.00 0.00 H new ATOM 0 HG21 THR A 26 -11.422 32.364 15.790 1.00 0.00 H new ATOM 0 HG22 THR A 26 -11.959 30.689 15.519 1.00 0.00 H new ATOM 0 HG23 THR A 26 -12.069 31.883 14.203 1.00 0.00 H new ATOM 407 N PHE A 27 -13.861 29.055 14.274 1.00 0.00 N ATOM 408 CA PHE A 27 -13.421 27.672 14.427 1.00 0.00 C ATOM 409 C PHE A 27 -12.402 27.298 13.354 1.00 0.00 C ATOM 410 O PHE A 27 -12.332 27.935 12.304 1.00 0.00 O ATOM 411 CB PHE A 27 -14.618 26.720 14.371 1.00 0.00 C ATOM 412 CG PHE A 27 -15.456 26.873 13.134 1.00 0.00 C ATOM 413 CD1 PHE A 27 -16.413 27.872 13.044 1.00 0.00 C ATOM 414 CD2 PHE A 27 -15.288 26.017 12.055 1.00 0.00 C ATOM 415 CE1 PHE A 27 -17.185 28.013 11.908 1.00 0.00 C ATOM 416 CE2 PHE A 27 -16.058 26.157 10.916 1.00 0.00 C ATOM 417 CZ PHE A 27 -17.007 27.154 10.842 1.00 0.00 C ATOM 0 H PHE A 27 -13.802 29.414 13.321 1.00 0.00 H new ATOM 0 HA PHE A 27 -12.941 27.579 15.401 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -14.257 25.693 14.429 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -15.245 26.888 15.247 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -16.557 28.549 13.873 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -14.547 25.233 12.106 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -17.928 28.795 11.853 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -15.916 25.485 10.083 1.00 0.00 H new ATOM 0 HZ PHE A 27 -17.610 27.263 9.952 1.00 0.00 H new ATOM 427 N THR A 28 -11.615 26.265 13.630 1.00 0.00 N ATOM 428 CA THR A 28 -10.471 25.930 12.790 1.00 0.00 C ATOM 429 C THR A 28 -10.194 24.431 12.810 1.00 0.00 C ATOM 430 O THR A 28 -10.620 23.723 13.724 1.00 0.00 O ATOM 431 CB THR A 28 -9.203 26.682 13.234 1.00 0.00 C ATOM 432 OG1 THR A 28 -8.130 26.394 12.328 1.00 0.00 O ATOM 433 CG2 THR A 28 -8.800 26.264 14.641 1.00 0.00 C ATOM 0 H THR A 28 -11.748 25.645 14.429 1.00 0.00 H new ATOM 0 HA THR A 28 -10.726 26.236 11.776 1.00 0.00 H new ATOM 0 HB THR A 28 -9.413 27.751 13.230 1.00 0.00 H new ATOM 0 HG1 THR A 28 -8.495 26.201 11.439 1.00 0.00 H new ATOM 0 HG21 THR A 28 -7.902 26.806 14.938 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.609 26.494 15.335 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.600 25.193 14.659 1.00 0.00 H new ATOM 441 N CYS A 29 -9.478 23.951 11.797 1.00 0.00 N ATOM 442 CA CYS A 29 -9.170 22.532 11.682 1.00 0.00 C ATOM 443 C CYS A 29 -7.797 22.315 11.062 1.00 0.00 C ATOM 444 O CYS A 29 -7.343 23.113 10.238 1.00 0.00 O ATOM 445 CB CYS A 29 -10.269 22.022 10.749 1.00 0.00 C ATOM 446 SG CYS A 29 -10.357 20.222 10.610 1.00 0.00 S ATOM 0 H CYS A 29 -9.101 24.526 11.044 1.00 0.00 H new ATOM 0 HA CYS A 29 -9.141 22.021 12.644 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.230 22.394 11.103 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.110 22.443 9.756 1.00 0.00 H new ATOM 0 HG CYS A 29 -10.038 19.683 11.749 1.00 0.00 H new ATOM 452 N ARG A 30 -7.136 21.233 11.458 1.00 0.00 N ATOM 453 CA ARG A 30 -5.756 20.989 11.061 1.00 0.00 C ATOM 454 C ARG A 30 -5.590 19.587 10.483 1.00 0.00 C ATOM 455 O ARG A 30 -6.149 18.622 11.001 1.00 0.00 O ATOM 456 CB ARG A 30 -4.779 21.243 12.200 1.00 0.00 C ATOM 457 CG ARG A 30 -3.317 21.027 11.847 1.00 0.00 C ATOM 458 CD ARG A 30 -2.370 21.319 12.955 1.00 0.00 C ATOM 459 NE ARG A 30 -0.972 21.093 12.627 1.00 0.00 N ATOM 460 CZ ARG A 30 0.061 21.388 13.439 1.00 0.00 C ATOM 461 NH1 ARG A 30 -0.136 21.955 14.609 1.00 0.00 N1+ ATOM 462 NH2 ARG A 30 1.284 21.116 13.019 1.00 0.00 N ATOM 0 H ARG A 30 -7.536 20.509 12.055 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.515 21.705 10.275 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.907 22.268 12.547 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.037 20.590 13.034 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.181 19.993 11.531 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.065 21.657 10.994 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.496 22.358 13.259 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.633 20.701 13.814 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.759 20.682 11.718 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.083 22.178 14.914 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.658 22.171 15.211 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.426 20.694 12.101 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.086 21.328 13.612 1.00 0.00 H new ATOM 476 N VAL A 31 -4.815 19.486 9.408 1.00 0.00 N ATOM 477 CA VAL A 31 -4.642 18.220 8.708 1.00 0.00 C ATOM 478 C VAL A 31 -3.198 17.732 8.797 1.00 0.00 C ATOM 479 O VAL A 31 -2.285 18.516 9.059 1.00 0.00 O ATOM 480 CB VAL A 31 -5.045 18.337 7.226 1.00 0.00 C ATOM 481 CG1 VAL A 31 -6.531 18.635 7.100 1.00 0.00 C ATOM 482 CG2 VAL A 31 -4.227 19.417 6.535 1.00 0.00 C ATOM 0 H VAL A 31 -4.297 20.266 9.003 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.295 17.498 9.197 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.841 17.384 6.738 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -6.798 18.714 6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.104 17.830 7.560 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.758 19.575 7.603 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.525 19.486 5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.401 20.375 7.025 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.168 19.166 6.595 1.00 0.00 H new ATOM 492 N ALA A 32 -3.002 16.437 8.579 1.00 0.00 N ATOM 493 CA ALA A 32 -1.669 15.849 8.609 1.00 0.00 C ATOM 494 C ALA A 32 -1.538 14.731 7.585 1.00 0.00 C ATOM 495 O ALA A 32 -1.596 13.550 7.933 1.00 0.00 O ATOM 496 CB ALA A 32 -1.345 15.337 10.005 1.00 0.00 C ATOM 0 H ALA A 32 -3.751 15.774 8.379 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.951 16.627 8.348 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.346 14.901 10.010 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.383 16.164 10.714 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.073 14.579 10.293 1.00 0.00 H new ATOM 502 N GLY A 33 -1.365 15.103 6.324 1.00 0.00 N ATOM 503 CA GLY A 33 -1.168 14.132 5.255 1.00 0.00 C ATOM 504 C GLY A 33 0.113 14.410 4.484 1.00 0.00 C ATOM 505 O GLY A 33 0.913 15.260 4.876 1.00 0.00 O ATOM 0 H GLY A 33 -1.357 16.075 6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.131 13.127 5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.018 14.161 4.574 1.00 0.00 H new ATOM 509 N ASN A 34 0.309 13.686 3.380 1.00 0.00 N ATOM 510 CA ASN A 34 1.489 13.870 2.540 1.00 0.00 C ATOM 511 C ASN A 34 1.230 13.390 1.132 1.00 0.00 C ATOM 512 O ASN A 34 1.193 12.188 0.861 1.00 0.00 O ATOM 513 CB ASN A 34 2.695 13.113 3.167 1.00 0.00 C ATOM 514 CG ASN A 34 4.076 13.386 2.560 1.00 0.00 C ATOM 515 OD1 ASN A 34 4.215 13.796 1.417 1.00 0.00 O ATOM 516 ND2 ASN A 34 5.139 13.149 3.280 1.00 0.00 N ATOM 0 H ASN A 34 -0.335 12.968 3.049 1.00 0.00 H new ATOM 0 HA ASN A 34 1.723 14.933 2.488 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.736 13.360 4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.498 12.043 3.096 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.067 13.306 2.887 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.042 12.807 4.236 1.00 0.00 H new ATOM 523 N PRO A 35 1.072 14.339 0.212 1.00 0.00 N ATOM 524 CA PRO A 35 1.229 15.751 0.537 1.00 0.00 C ATOM 525 C PRO A 35 0.105 16.234 1.446 1.00 0.00 C ATOM 526 O PRO A 35 -0.974 15.644 1.484 1.00 0.00 O ATOM 527 CB PRO A 35 1.213 16.452 -0.825 1.00 0.00 C ATOM 528 CG PRO A 35 1.504 15.366 -1.804 1.00 0.00 C ATOM 529 CD PRO A 35 0.888 14.125 -1.220 1.00 0.00 C ATOM 0 HA PRO A 35 2.145 15.959 1.089 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.247 16.916 -1.022 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.962 17.242 -0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 35 1.078 15.594 -2.781 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.578 15.242 -1.946 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.165 14.028 -1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.388 13.220 -1.565 1.00 0.00 H new ATOM 537 N LYS A 36 0.368 17.315 2.176 1.00 0.00 N ATOM 538 CA LYS A 36 -0.619 17.871 3.095 1.00 0.00 C ATOM 539 C LYS A 36 -1.897 18.252 2.361 1.00 0.00 C ATOM 540 O LYS A 36 -1.859 18.914 1.325 1.00 0.00 O ATOM 541 CB LYS A 36 -0.047 19.088 3.824 1.00 0.00 C ATOM 542 CG LYS A 36 1.066 18.764 4.812 1.00 0.00 C ATOM 543 CD LYS A 36 1.552 20.016 5.527 1.00 0.00 C ATOM 544 CE LYS A 36 2.686 19.698 6.492 1.00 0.00 C ATOM 545 NZ LYS A 36 3.202 20.920 7.165 1.00 0.00 N1+ ATOM 0 H LYS A 36 1.253 17.821 2.149 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.863 17.103 3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.334 19.793 3.085 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.855 19.590 4.357 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.706 18.041 5.544 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.898 18.297 4.285 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.890 20.748 4.794 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.725 20.470 6.072 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.335 18.991 7.243 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.498 19.212 5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.961 20.658 7.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.576 21.578 6.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.430 21.380 7.689 1.00 0.00 H new ATOM 559 N PRO A 37 -3.034 17.834 2.912 1.00 0.00 N ATOM 560 CA PRO A 37 -4.321 18.044 2.258 1.00 0.00 C ATOM 561 C PRO A 37 -4.555 19.521 1.963 1.00 0.00 C ATOM 562 O PRO A 37 -4.214 20.385 2.768 1.00 0.00 O ATOM 563 CB PRO A 37 -5.341 17.486 3.255 1.00 0.00 C ATOM 564 CG PRO A 37 -4.592 16.439 4.004 1.00 0.00 C ATOM 565 CD PRO A 37 -3.183 16.959 4.123 1.00 0.00 C ATOM 0 HA PRO A 37 -4.388 17.551 1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.711 18.264 3.923 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -6.207 17.066 2.744 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.032 16.269 4.987 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.615 15.486 3.475 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -3.038 17.521 5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.454 16.149 4.126 1.00 0.00 H new ATOM 573 N LYS A 38 -5.141 19.801 0.803 1.00 0.00 N ATOM 574 CA LYS A 38 -5.558 21.156 0.465 1.00 0.00 C ATOM 575 C LYS A 38 -6.942 21.464 1.024 1.00 0.00 C ATOM 576 O LYS A 38 -7.952 21.271 0.351 1.00 0.00 O ATOM 577 CB LYS A 38 -5.548 21.356 -1.051 1.00 0.00 C ATOM 578 CG LYS A 38 -4.166 21.283 -1.686 1.00 0.00 C ATOM 579 CD LYS A 38 -4.237 21.478 -3.192 1.00 0.00 C ATOM 580 CE LYS A 38 -2.855 21.418 -3.825 1.00 0.00 C ATOM 581 NZ LYS A 38 -2.903 21.671 -5.292 1.00 0.00 N1+ ATOM 0 H LYS A 38 -5.337 19.107 0.082 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.847 21.846 0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.185 20.600 -1.509 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.989 22.326 -1.280 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.522 22.046 -1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.712 20.317 -1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.873 20.709 -3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.699 22.440 -3.415 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -2.207 22.155 -3.351 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.413 20.439 -3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.941 21.621 -5.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.501 20.953 -5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.300 22.616 -5.469 1.00 0.00 H new ATOM 595 N ILE A 39 -6.980 21.938 2.267 1.00 0.00 N ATOM 596 CA ILE A 39 -8.238 22.123 2.978 1.00 0.00 C ATOM 597 C ILE A 39 -9.209 22.973 2.169 1.00 0.00 C ATOM 598 O ILE A 39 -8.890 24.095 1.778 1.00 0.00 O ATOM 599 CB ILE A 39 -8.018 22.780 4.352 1.00 0.00 C ATOM 600 CG1 ILE A 39 -7.319 21.805 5.304 1.00 0.00 C ATOM 601 CG2 ILE A 39 -9.343 23.243 4.939 1.00 0.00 C ATOM 602 CD1 ILE A 39 -6.882 22.431 6.608 1.00 0.00 C ATOM 0 H ILE A 39 -6.152 22.201 2.801 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.665 21.131 3.124 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.378 23.652 4.220 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -7.993 20.975 5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.446 21.386 4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.169 23.705 5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.804 23.969 4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.007 22.387 5.058 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.395 21.678 7.228 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.182 23.242 6.406 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -7.753 22.825 7.132 1.00 0.00 H new ATOM 614 N TYR A 40 -10.397 22.429 1.918 1.00 0.00 N ATOM 615 CA TYR A 40 -11.483 23.200 1.327 1.00 0.00 C ATOM 616 C TYR A 40 -12.670 23.303 2.278 1.00 0.00 C ATOM 617 O TYR A 40 -12.963 22.366 3.022 1.00 0.00 O ATOM 618 CB TYR A 40 -11.926 22.572 0.004 1.00 0.00 C ATOM 619 CG TYR A 40 -10.859 22.586 -1.069 1.00 0.00 C ATOM 620 CD1 TYR A 40 -10.500 23.769 -1.698 1.00 0.00 C ATOM 621 CD2 TYR A 40 -10.215 21.418 -1.449 1.00 0.00 C ATOM 622 CE1 TYR A 40 -9.526 23.788 -2.679 1.00 0.00 C ATOM 623 CE2 TYR A 40 -9.240 21.425 -2.427 1.00 0.00 C ATOM 624 CZ TYR A 40 -8.898 22.614 -3.040 1.00 0.00 C ATOM 625 OH TYR A 40 -7.928 22.627 -4.017 1.00 0.00 O ATOM 0 H TYR A 40 -10.631 21.456 2.116 1.00 0.00 H new ATOM 0 HA TYR A 40 -11.110 24.207 1.137 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -12.231 21.541 0.186 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.804 23.104 -0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -10.989 24.690 -1.417 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -10.481 20.486 -0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.258 24.717 -3.160 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -8.748 20.506 -2.711 1.00 0.00 H new ATOM 0 HH TYR A 40 -7.586 21.718 -4.150 1.00 0.00 H new ATOM 635 N TRP A 41 -13.348 24.444 2.249 1.00 0.00 N ATOM 636 CA TRP A 41 -14.544 24.646 3.060 1.00 0.00 C ATOM 637 C TRP A 41 -15.780 24.802 2.185 1.00 0.00 C ATOM 638 O TRP A 41 -15.740 25.451 1.141 1.00 0.00 O ATOM 639 CB TRP A 41 -14.374 25.873 3.960 1.00 0.00 C ATOM 640 CG TRP A 41 -13.351 25.687 5.036 1.00 0.00 C ATOM 641 CD1 TRP A 41 -12.025 25.997 4.963 1.00 0.00 C ATOM 642 CD2 TRP A 41 -13.566 25.154 6.350 1.00 0.00 C ATOM 643 NE1 TRP A 41 -11.402 25.691 6.148 1.00 0.00 N ATOM 644 CE2 TRP A 41 -12.329 25.171 7.017 1.00 0.00 C ATOM 645 CE3 TRP A 41 -14.691 24.663 7.024 1.00 0.00 C ATOM 646 CZ2 TRP A 41 -12.181 24.720 8.318 1.00 0.00 C ATOM 647 CZ3 TRP A 41 -14.540 24.212 8.330 1.00 0.00 C ATOM 648 CH2 TRP A 41 -13.321 24.238 8.958 1.00 0.00 C ATOM 0 H TRP A 41 -13.090 25.245 1.672 1.00 0.00 H new ATOM 0 HA TRP A 41 -14.681 23.764 3.686 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -14.092 26.728 3.346 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -15.333 26.113 4.419 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -11.536 26.422 4.099 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.412 25.828 6.350 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -15.656 24.635 6.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.223 24.741 8.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -15.401 23.833 8.861 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -13.243 23.876 9.973 1.00 0.00 H new ATOM 659 N PHE A 42 -16.884 24.201 2.623 1.00 0.00 N ATOM 660 CA PHE A 42 -18.184 24.449 2.011 1.00 0.00 C ATOM 661 C PHE A 42 -19.314 24.233 3.008 1.00 0.00 C ATOM 662 O PHE A 42 -19.228 23.367 3.881 1.00 0.00 O ATOM 663 CB PHE A 42 -18.381 23.548 0.790 1.00 0.00 C ATOM 664 CG PHE A 42 -18.228 22.083 1.086 1.00 0.00 C ATOM 665 CD1 PHE A 42 -16.975 21.489 1.091 1.00 0.00 C ATOM 666 CD2 PHE A 42 -19.337 21.298 1.363 1.00 0.00 C ATOM 667 CE1 PHE A 42 -16.832 20.142 1.362 1.00 0.00 C ATOM 668 CE2 PHE A 42 -19.197 19.950 1.636 1.00 0.00 C ATOM 669 CZ PHE A 42 -17.945 19.373 1.635 1.00 0.00 C ATOM 0 H PHE A 42 -16.903 23.539 3.399 1.00 0.00 H new ATOM 0 HA PHE A 42 -18.208 25.491 1.691 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -19.374 23.724 0.377 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.662 23.831 0.022 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -16.100 22.087 0.880 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -20.320 21.744 1.365 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -15.851 19.691 1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -20.068 19.349 1.850 1.00 0.00 H new ATOM 0 HZ PHE A 42 -17.835 18.320 1.848 1.00 0.00 H new ATOM 679 N LYS A 43 -20.372 25.023 2.875 1.00 0.00 N ATOM 680 CA LYS A 43 -21.473 24.996 3.833 1.00 0.00 C ATOM 681 C LYS A 43 -22.729 24.394 3.214 1.00 0.00 C ATOM 682 O LYS A 43 -23.353 25.001 2.345 1.00 0.00 O ATOM 683 CB LYS A 43 -21.767 26.407 4.351 1.00 0.00 C ATOM 684 CG LYS A 43 -22.719 26.454 5.540 1.00 0.00 C ATOM 685 CD LYS A 43 -24.161 26.629 5.089 1.00 0.00 C ATOM 686 CE LYS A 43 -25.075 26.944 6.263 1.00 0.00 C ATOM 687 NZ LYS A 43 -26.509 26.743 5.921 1.00 0.00 N1+ ATOM 0 H LYS A 43 -20.492 25.691 2.113 1.00 0.00 H new ATOM 0 HA LYS A 43 -21.171 24.366 4.670 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -20.827 26.880 4.635 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -22.189 26.999 3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -22.626 25.535 6.119 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -22.440 27.276 6.199 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -24.219 27.432 4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -24.502 25.720 4.594 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -24.811 26.309 7.109 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -24.918 27.976 6.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -27.087 26.836 6.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -26.804 27.459 5.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -26.640 25.794 5.517 1.00 0.00 H new ATOM 701 N ASP A 44 -23.092 23.200 3.667 1.00 0.00 N ATOM 702 CA ASP A 44 -24.225 22.479 3.100 1.00 0.00 C ATOM 703 C ASP A 44 -24.085 22.337 1.589 1.00 0.00 C ATOM 704 O ASP A 44 -25.080 22.345 0.862 1.00 0.00 O ATOM 705 CB ASP A 44 -25.537 23.188 3.444 1.00 0.00 C ATOM 706 CG ASP A 44 -25.932 23.102 4.912 1.00 0.00 C ATOM 707 OD1 ASP A 44 -25.324 22.343 5.628 1.00 0.00 O ATOM 708 OD2 ASP A 44 -26.728 23.905 5.340 1.00 0.00 O1- ATOM 0 H ASP A 44 -22.618 22.710 4.426 1.00 0.00 H new ATOM 0 HA ASP A 44 -24.239 21.480 3.536 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -25.453 24.238 3.164 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -26.337 22.760 2.839 1.00 0.00 H new ATOM 713 N GLY A 45 -22.850 22.204 1.122 1.00 0.00 N ATOM 714 CA GLY A 45 -22.584 21.988 -0.293 1.00 0.00 C ATOM 715 C GLY A 45 -22.257 23.299 -0.999 1.00 0.00 C ATOM 716 O GLY A 45 -21.990 23.316 -2.199 1.00 0.00 O ATOM 0 H GLY A 45 -22.014 22.242 1.706 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -21.752 21.293 -0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.452 21.526 -0.763 1.00 0.00 H new ATOM 720 N LYS A 46 -22.280 24.393 -0.244 1.00 0.00 N ATOM 721 CA LYS A 46 -22.013 25.712 -0.802 1.00 0.00 C ATOM 722 C LYS A 46 -20.550 26.098 -0.628 1.00 0.00 C ATOM 723 O LYS A 46 -20.133 26.532 0.449 1.00 0.00 O ATOM 724 CB LYS A 46 -22.915 26.762 -0.151 1.00 0.00 C ATOM 725 CG LYS A 46 -24.405 26.535 -0.372 1.00 0.00 C ATOM 726 CD LYS A 46 -25.239 27.564 0.377 1.00 0.00 C ATOM 727 CE LYS A 46 -26.725 27.368 0.119 1.00 0.00 C ATOM 728 NZ LYS A 46 -27.544 28.444 0.739 1.00 0.00 N1+ ATOM 0 H LYS A 46 -22.481 24.391 0.756 1.00 0.00 H new ATOM 0 HA LYS A 46 -22.230 25.672 -1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -22.717 26.779 0.921 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.648 27.745 -0.540 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.629 26.588 -1.437 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.675 25.533 -0.039 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.041 27.487 1.446 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -24.944 28.567 0.069 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -26.907 27.347 -0.956 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -27.037 26.401 0.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -28.550 28.273 0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -27.391 28.448 1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.264 29.364 0.344 1.00 0.00 H new ATOM 742 N GLN A 47 -19.769 25.939 -1.691 1.00 0.00 N ATOM 743 CA GLN A 47 -18.342 26.232 -1.647 1.00 0.00 C ATOM 744 C GLN A 47 -18.083 27.619 -1.078 1.00 0.00 C ATOM 745 O GLN A 47 -18.672 28.605 -1.525 1.00 0.00 O ATOM 746 CB GLN A 47 -17.729 26.125 -3.046 1.00 0.00 C ATOM 747 CG GLN A 47 -16.221 26.304 -3.080 1.00 0.00 C ATOM 748 CD GLN A 47 -15.652 26.167 -4.479 1.00 0.00 C ATOM 749 OE1 GLN A 47 -16.396 26.024 -5.455 1.00 0.00 O ATOM 750 NE2 GLN A 47 -14.330 26.205 -4.587 1.00 0.00 N ATOM 0 H GLN A 47 -20.102 25.608 -2.596 1.00 0.00 H new ATOM 0 HA GLN A 47 -17.873 25.497 -0.993 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -17.978 25.150 -3.466 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -18.187 26.876 -3.690 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -15.966 27.286 -2.682 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.756 25.565 -2.428 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -13.754 26.325 -3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.890 26.114 -5.503 1.00 0.00 H new ATOM 759 N ILE A 48 -17.196 27.694 -0.092 1.00 0.00 N ATOM 760 CA ILE A 48 -16.886 28.958 0.568 1.00 0.00 C ATOM 761 C ILE A 48 -15.606 29.566 0.017 1.00 0.00 C ATOM 762 O ILE A 48 -14.550 28.933 0.031 1.00 0.00 O ATOM 763 CB ILE A 48 -16.745 28.780 2.091 1.00 0.00 C ATOM 764 CG1 ILE A 48 -18.063 28.294 2.697 1.00 0.00 C ATOM 765 CG2 ILE A 48 -16.306 30.084 2.740 1.00 0.00 C ATOM 766 CD1 ILE A 48 -17.951 27.868 4.144 1.00 0.00 C ATOM 0 H ILE A 48 -16.678 26.893 0.269 1.00 0.00 H new ATOM 0 HA ILE A 48 -17.720 29.631 0.366 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.981 28.027 2.282 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -18.803 29.090 2.619 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -18.435 27.455 2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.211 29.941 3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -15.344 30.389 2.328 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -17.048 30.857 2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -18.926 27.537 4.502 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -17.236 27.050 4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -17.610 28.710 4.746 1.00 0.00 H new ATOM 778 N SER A 49 -15.700 30.802 -0.462 1.00 0.00 N ATOM 779 CA SER A 49 -14.528 31.539 -0.916 1.00 0.00 C ATOM 780 C SER A 49 -13.906 32.339 0.224 1.00 0.00 C ATOM 781 O SER A 49 -14.611 32.973 1.010 1.00 0.00 O ATOM 782 CB SER A 49 -14.900 32.457 -2.064 1.00 0.00 C ATOM 783 OG SER A 49 -13.829 33.271 -2.456 1.00 0.00 O ATOM 0 H SER A 49 -16.578 31.315 -0.546 1.00 0.00 H new ATOM 0 HA SER A 49 -13.787 30.819 -1.264 1.00 0.00 H new ATOM 0 HB2 SER A 49 -15.230 31.859 -2.913 1.00 0.00 H new ATOM 0 HB3 SER A 49 -15.742 33.083 -1.769 1.00 0.00 H new ATOM 0 HG SER A 49 -14.110 33.846 -3.199 1.00 0.00 H new ATOM 789 N PRO A 50 -12.579 32.300 0.310 1.00 0.00 N ATOM 790 CA PRO A 50 -11.859 33.045 1.335 1.00 0.00 C ATOM 791 C PRO A 50 -12.221 34.524 1.299 1.00 0.00 C ATOM 792 O PRO A 50 -12.306 35.125 0.227 1.00 0.00 O ATOM 793 CB PRO A 50 -10.383 32.804 1.006 1.00 0.00 C ATOM 794 CG PRO A 50 -10.373 31.506 0.271 1.00 0.00 C ATOM 795 CD PRO A 50 -11.644 31.495 -0.536 1.00 0.00 C ATOM 0 HA PRO A 50 -12.108 32.720 2.345 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.976 33.610 0.395 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.778 32.753 1.911 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.498 31.426 -0.373 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.339 30.663 0.962 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -11.502 31.942 -1.520 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.013 30.482 -0.696 1.00 0.00 H new ATOM 803 N LYS A 51 -12.428 35.108 2.473 1.00 0.00 N ATOM 804 CA LYS A 51 -12.733 36.529 2.579 1.00 0.00 C ATOM 805 C LYS A 51 -13.996 36.882 1.808 1.00 0.00 C ATOM 806 O LYS A 51 -13.975 37.728 0.914 1.00 0.00 O ATOM 807 CB LYS A 51 -11.558 37.367 2.076 1.00 0.00 C ATOM 808 CG LYS A 51 -10.267 37.177 2.861 1.00 0.00 C ATOM 809 CD LYS A 51 -9.153 38.059 2.317 1.00 0.00 C ATOM 810 CE LYS A 51 -7.868 37.885 3.114 1.00 0.00 C ATOM 811 NZ LYS A 51 -6.750 38.685 2.548 1.00 0.00 N1+ ATOM 0 H LYS A 51 -12.390 34.618 3.367 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.904 36.755 3.632 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -11.373 37.120 1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -11.838 38.420 2.110 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.440 37.412 3.911 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -9.961 36.132 2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.970 37.813 1.271 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.465 39.103 2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -8.040 38.183 4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.589 36.831 3.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.894 38.538 3.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.568 38.384 1.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.005 39.693 2.558 1.00 0.00 H new ATOM 825 N SER A 52 -15.099 36.227 2.159 1.00 0.00 N ATOM 826 CA SER A 52 -16.381 36.488 1.516 1.00 0.00 C ATOM 827 C SER A 52 -17.201 37.496 2.313 1.00 0.00 C ATOM 828 O SER A 52 -16.664 38.231 3.145 1.00 0.00 O ATOM 829 CB SER A 52 -17.154 35.195 1.348 1.00 0.00 C ATOM 830 OG SER A 52 -18.279 35.357 0.529 1.00 0.00 O ATOM 0 H SER A 52 -15.130 35.512 2.885 1.00 0.00 H new ATOM 0 HA SER A 52 -16.187 36.916 0.532 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.500 34.435 0.919 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.468 34.831 2.326 1.00 0.00 H new ATOM 0 HG SER A 52 -18.748 34.501 0.445 1.00 0.00 H new ATOM 836 N ASP A 53 -18.501 37.533 2.050 1.00 0.00 N ATOM 837 CA ASP A 53 -19.390 38.483 2.707 1.00 0.00 C ATOM 838 C ASP A 53 -19.288 38.378 4.222 1.00 0.00 C ATOM 839 O ASP A 53 -19.202 39.383 4.922 1.00 0.00 O ATOM 840 CB ASP A 53 -20.836 38.258 2.260 1.00 0.00 C ATOM 841 CG ASP A 53 -21.132 38.705 0.835 1.00 0.00 C ATOM 842 OD1 ASP A 53 -20.313 39.385 0.265 1.00 0.00 O ATOM 843 OD2 ASP A 53 -22.094 38.235 0.274 1.00 0.00 O1- ATOM 0 H ASP A 53 -18.964 36.914 1.384 1.00 0.00 H new ATOM 0 HA ASP A 53 -19.080 39.486 2.415 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -21.070 37.197 2.351 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -21.501 38.791 2.940 1.00 0.00 H new ATOM 848 N HIS A 54 -19.305 37.147 4.727 1.00 0.00 N ATOM 849 CA HIS A 54 -19.193 36.903 6.159 1.00 0.00 C ATOM 850 C HIS A 54 -18.247 35.745 6.448 1.00 0.00 C ATOM 851 O HIS A 54 -17.951 35.448 7.606 1.00 0.00 O ATOM 852 CB HIS A 54 -20.569 36.621 6.770 1.00 0.00 C ATOM 853 CG HIS A 54 -21.517 37.774 6.675 1.00 0.00 C ATOM 854 ND1 HIS A 54 -21.415 38.890 7.479 1.00 0.00 N ATOM 855 CD2 HIS A 54 -22.586 37.986 5.871 1.00 0.00 C ATOM 856 CE1 HIS A 54 -22.381 39.739 7.172 1.00 0.00 C ATOM 857 NE2 HIS A 54 -23.106 39.213 6.202 1.00 0.00 N ATOM 0 H HIS A 54 -19.396 36.302 4.163 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.783 37.804 6.616 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -21.009 35.758 6.270 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -20.443 36.351 7.819 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.960 37.315 5.111 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.549 40.700 7.636 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -23.921 39.648 5.769 1.00 0.00 H new ATOM 865 N TYR A 55 -17.778 35.092 5.391 1.00 0.00 N ATOM 866 CA TYR A 55 -16.982 33.878 5.531 1.00 0.00 C ATOM 867 C TYR A 55 -15.512 34.149 5.233 1.00 0.00 C ATOM 868 O TYR A 55 -15.086 34.128 4.079 1.00 0.00 O ATOM 869 CB TYR A 55 -17.509 32.778 4.606 1.00 0.00 C ATOM 870 CG TYR A 55 -18.896 32.293 4.962 1.00 0.00 C ATOM 871 CD1 TYR A 55 -19.428 32.518 6.224 1.00 0.00 C ATOM 872 CD2 TYR A 55 -19.675 31.615 4.035 1.00 0.00 C ATOM 873 CE1 TYR A 55 -20.698 32.077 6.552 1.00 0.00 C ATOM 874 CE2 TYR A 55 -20.940 31.170 4.353 1.00 0.00 C ATOM 875 CZ TYR A 55 -21.450 31.404 5.612 1.00 0.00 C ATOM 876 OH TYR A 55 -22.713 30.963 5.936 1.00 0.00 O ATOM 0 H TYR A 55 -17.935 35.383 4.426 1.00 0.00 H new ATOM 0 HA TYR A 55 -17.068 33.542 6.564 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -17.516 33.150 3.582 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -16.821 31.933 4.633 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -18.842 33.046 6.962 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -19.282 31.433 3.046 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -21.098 32.259 7.539 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -21.529 30.640 3.619 1.00 0.00 H new ATOM 0 HH TYR A 55 -23.265 31.725 6.210 1.00 0.00 H new ATOM 886 N THR A 56 -14.738 34.402 6.283 1.00 0.00 N ATOM 887 CA THR A 56 -13.317 34.694 6.140 1.00 0.00 C ATOM 888 C THR A 56 -12.470 33.457 6.403 1.00 0.00 C ATOM 889 O THR A 56 -12.579 32.830 7.460 1.00 0.00 O ATOM 890 CB THR A 56 -12.872 35.819 7.093 1.00 0.00 C ATOM 891 OG1 THR A 56 -13.595 37.019 6.791 1.00 0.00 O ATOM 892 CG2 THR A 56 -11.381 36.081 6.950 1.00 0.00 C ATOM 0 H THR A 56 -15.073 34.411 7.246 1.00 0.00 H new ATOM 0 HA THR A 56 -13.167 35.021 5.111 1.00 0.00 H new ATOM 0 HB THR A 56 -13.080 35.509 8.117 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.312 37.733 7.399 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.085 36.879 7.631 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.827 35.174 7.191 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.161 36.379 5.925 1.00 0.00 H new ATOM 900 N ILE A 57 -11.625 33.103 5.441 1.00 0.00 N ATOM 901 CA ILE A 57 -10.757 31.938 5.569 1.00 0.00 C ATOM 902 C ILE A 57 -9.300 32.353 5.722 1.00 0.00 C ATOM 903 O ILE A 57 -8.759 33.082 4.890 1.00 0.00 O ATOM 904 CB ILE A 57 -10.889 30.997 4.358 1.00 0.00 C ATOM 905 CG1 ILE A 57 -12.313 30.446 4.263 1.00 0.00 C ATOM 906 CG2 ILE A 57 -9.881 29.862 4.454 1.00 0.00 C ATOM 907 CD1 ILE A 57 -12.574 29.641 3.010 1.00 0.00 C ATOM 0 H ILE A 57 -11.523 33.608 4.561 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.076 31.406 6.465 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.679 31.566 3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -12.509 29.820 5.133 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -13.017 31.277 4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -9.988 29.206 3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.872 30.273 4.475 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -10.060 29.293 5.366 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -13.604 29.284 3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -12.411 30.269 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.895 28.789 2.977 1.00 0.00 H new ATOM 919 N GLN A 58 -8.666 31.883 6.794 1.00 0.00 N ATOM 920 CA GLN A 58 -7.234 32.084 6.984 1.00 0.00 C ATOM 921 C GLN A 58 -6.474 30.770 6.858 1.00 0.00 C ATOM 922 O GLN A 58 -6.894 29.742 7.393 1.00 0.00 O ATOM 923 CB GLN A 58 -6.958 32.712 8.352 1.00 0.00 C ATOM 924 CG GLN A 58 -7.539 34.105 8.527 1.00 0.00 C ATOM 925 CD GLN A 58 -7.291 34.665 9.915 1.00 0.00 C ATOM 926 OE1 GLN A 58 -6.553 34.081 10.713 1.00 0.00 O ATOM 927 NE2 GLN A 58 -7.910 35.802 10.211 1.00 0.00 N ATOM 0 H GLN A 58 -9.122 31.361 7.543 1.00 0.00 H new ATOM 0 HA GLN A 58 -6.887 32.761 6.203 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -7.364 32.061 9.126 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.880 32.758 8.507 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.102 34.774 7.785 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.612 34.075 8.337 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -8.511 36.250 9.520 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.784 36.227 11.130 1.00 0.00 H new ATOM 936 N ARG A 59 -5.352 30.806 6.149 1.00 0.00 N ATOM 937 CA ARG A 59 -4.619 29.595 5.808 1.00 0.00 C ATOM 938 C ARG A 59 -3.218 29.614 6.406 1.00 0.00 C ATOM 939 O ARG A 59 -2.335 30.326 5.925 1.00 0.00 O ATOM 940 CB ARG A 59 -4.581 29.352 4.306 1.00 0.00 C ATOM 941 CG ARG A 59 -5.888 28.861 3.704 1.00 0.00 C ATOM 942 CD ARG A 59 -5.850 28.668 2.232 1.00 0.00 C ATOM 943 NE ARG A 59 -7.123 28.284 1.643 1.00 0.00 N ATOM 944 CZ ARG A 59 -7.615 27.030 1.634 1.00 0.00 C ATOM 945 NH1 ARG A 59 -6.932 26.031 2.147 1.00 0.00 N1+ ATOM 946 NH2 ARG A 59 -8.795 26.826 1.074 1.00 0.00 N ATOM 0 H ARG A 59 -4.929 31.665 5.798 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.159 28.757 6.249 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.295 30.279 3.810 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.801 28.621 4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -6.159 27.916 4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.676 29.575 3.945 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -5.512 29.593 1.765 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.110 27.903 1.997 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.683 29.016 1.206 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -6.015 26.199 2.560 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.319 25.088 2.132 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.307 27.607 0.664 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -9.194 25.887 1.052 1.00 0.00 H new ATOM 960 N ASP A 60 -3.017 28.824 7.454 1.00 0.00 N ATOM 961 CA ASP A 60 -1.684 28.604 8.006 1.00 0.00 C ATOM 962 C ASP A 60 -0.948 27.500 7.253 1.00 0.00 C ATOM 963 O ASP A 60 -1.427 26.373 7.165 1.00 0.00 O ATOM 964 CB ASP A 60 -1.772 28.257 9.494 1.00 0.00 C ATOM 965 CG ASP A 60 -0.423 28.084 10.181 1.00 0.00 C ATOM 966 OD1 ASP A 60 0.573 28.087 9.497 1.00 0.00 O ATOM 967 OD2 ASP A 60 -0.386 28.108 11.387 1.00 0.00 O1- ATOM 0 H ASP A 60 -3.761 28.324 7.940 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.119 29.529 7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.328 29.042 10.005 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.344 27.336 9.607 1.00 0.00 H new ATOM 972 N LEU A 61 0.216 27.839 6.708 1.00 0.00 N ATOM 973 CA LEU A 61 0.933 26.943 5.809 1.00 0.00 C ATOM 974 C LEU A 61 1.419 25.703 6.544 1.00 0.00 C ATOM 975 O LEU A 61 1.844 24.727 5.923 1.00 0.00 O ATOM 976 CB LEU A 61 2.113 27.676 5.160 1.00 0.00 C ATOM 977 CG LEU A 61 1.730 28.823 4.217 1.00 0.00 C ATOM 978 CD1 LEU A 61 2.984 29.532 3.721 1.00 0.00 C ATOM 979 CD2 LEU A 61 0.925 28.274 3.048 1.00 0.00 C ATOM 0 H LEU A 61 0.683 28.730 6.874 1.00 0.00 H new ATOM 0 HA LEU A 61 0.244 26.623 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.752 28.073 5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.708 26.952 4.603 1.00 0.00 H new ATOM 0 HG LEU A 61 1.118 29.547 4.756 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.702 30.345 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.534 29.936 4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.615 28.823 3.185 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.653 29.090 2.378 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.524 27.543 2.505 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.020 27.795 3.422 1.00 0.00 H new ATOM 991 N ASP A 62 1.356 25.738 7.870 1.00 0.00 N ATOM 992 CA ASP A 62 1.739 24.598 8.691 1.00 0.00 C ATOM 993 C ASP A 62 0.809 23.418 8.460 1.00 0.00 C ATOM 994 O ASP A 62 1.163 22.269 8.733 1.00 0.00 O ATOM 995 CB ASP A 62 1.747 24.980 10.172 1.00 0.00 C ATOM 996 CG ASP A 62 2.926 25.846 10.594 1.00 0.00 C ATOM 997 OD1 ASP A 62 3.857 25.959 9.832 1.00 0.00 O ATOM 998 OD2 ASP A 62 2.821 26.510 11.598 1.00 0.00 O1- ATOM 0 H ASP A 62 1.041 26.550 8.401 1.00 0.00 H new ATOM 0 HA ASP A 62 2.746 24.301 8.399 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.823 25.509 10.403 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.750 24.068 10.769 1.00 0.00 H new ATOM 1003 N GLY A 63 -0.388 23.701 7.957 1.00 0.00 N ATOM 1004 CA GLY A 63 -1.375 22.661 7.691 1.00 0.00 C ATOM 1005 C GLY A 63 -2.676 22.936 8.433 1.00 0.00 C ATOM 1006 O GLY A 63 -3.493 22.035 8.627 1.00 0.00 O ATOM 0 H GLY A 63 -0.698 24.644 7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.569 22.605 6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.978 21.692 7.994 1.00 0.00 H new ATOM 1010 N THR A 64 -2.864 24.182 8.849 1.00 0.00 N ATOM 1011 CA THR A 64 -4.065 24.580 9.578 1.00 0.00 C ATOM 1012 C THR A 64 -4.835 25.657 8.829 1.00 0.00 C ATOM 1013 O THR A 64 -4.243 26.568 8.254 1.00 0.00 O ATOM 1014 CB THR A 64 -3.726 25.096 10.988 1.00 0.00 C ATOM 1015 OG1 THR A 64 -2.989 24.094 11.703 1.00 0.00 O ATOM 1016 CG2 THR A 64 -4.997 25.430 11.755 1.00 0.00 C ATOM 0 H THR A 64 -2.198 24.939 8.694 1.00 0.00 H new ATOM 0 HA THR A 64 -4.686 23.688 9.665 1.00 0.00 H new ATOM 0 HB THR A 64 -3.124 26.000 10.892 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.773 24.425 12.600 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.737 25.793 12.749 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.552 26.201 11.221 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.613 24.535 11.845 1.00 0.00 H new ATOM 1024 N CYS A 65 -6.158 25.545 8.839 1.00 0.00 N ATOM 1025 CA CYS A 65 -7.016 26.550 8.219 1.00 0.00 C ATOM 1026 C CYS A 65 -8.188 26.906 9.126 1.00 0.00 C ATOM 1027 O CYS A 65 -8.841 26.025 9.689 1.00 0.00 O ATOM 1028 CB CYS A 65 -7.509 25.843 6.956 1.00 0.00 C ATOM 1029 SG CYS A 65 -8.425 26.903 5.812 1.00 0.00 S ATOM 0 H CYS A 65 -6.661 24.769 9.269 1.00 0.00 H new ATOM 0 HA CYS A 65 -6.500 27.490 8.020 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.651 25.421 6.433 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -8.146 25.008 7.247 1.00 0.00 H new ATOM 0 HG CYS A 65 -8.143 28.149 6.054 1.00 0.00 H new ATOM 1035 N SER A 66 -8.449 28.201 9.266 1.00 0.00 N ATOM 1036 CA SER A 66 -9.499 28.679 10.154 1.00 0.00 C ATOM 1037 C SER A 66 -10.617 29.360 9.372 1.00 0.00 C ATOM 1038 O SER A 66 -10.360 30.152 8.468 1.00 0.00 O ATOM 1039 CB SER A 66 -8.919 29.630 11.183 1.00 0.00 C ATOM 1040 OG SER A 66 -9.911 30.201 11.992 1.00 0.00 O ATOM 0 H SER A 66 -7.946 28.939 8.774 1.00 0.00 H new ATOM 0 HA SER A 66 -9.927 27.818 10.667 1.00 0.00 H new ATOM 0 HB2 SER A 66 -8.205 29.095 11.809 1.00 0.00 H new ATOM 0 HB3 SER A 66 -8.367 30.421 10.675 1.00 0.00 H new ATOM 0 HG SER A 66 -10.639 29.557 12.121 1.00 0.00 H new ATOM 1046 N LEU A 67 -11.857 29.044 9.730 1.00 0.00 N ATOM 1047 CA LEU A 67 -13.016 29.658 9.092 1.00 0.00 C ATOM 1048 C LEU A 67 -13.801 30.509 10.083 1.00 0.00 C ATOM 1049 O LEU A 67 -14.294 30.006 11.091 1.00 0.00 O ATOM 1050 CB LEU A 67 -13.918 28.580 8.480 1.00 0.00 C ATOM 1051 CG LEU A 67 -15.220 29.096 7.853 1.00 0.00 C ATOM 1052 CD1 LEU A 67 -14.905 30.050 6.708 1.00 0.00 C ATOM 1053 CD2 LEU A 67 -16.050 27.919 7.363 1.00 0.00 C ATOM 0 H LEU A 67 -12.085 28.367 10.458 1.00 0.00 H new ATOM 0 HA LEU A 67 -12.659 30.312 8.296 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -13.352 28.046 7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -14.169 27.856 9.255 1.00 0.00 H new ATOM 0 HG LEU A 67 -15.794 29.641 8.602 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -15.835 30.411 6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -14.330 30.895 7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -14.324 29.527 5.948 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -16.975 28.286 6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -15.485 27.361 6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -16.286 27.266 8.203 1.00 0.00 H new ATOM 1065 N HIS A 68 -13.913 31.801 9.787 1.00 0.00 N ATOM 1066 CA HIS A 68 -14.609 32.730 10.668 1.00 0.00 C ATOM 1067 C HIS A 68 -15.902 33.233 10.032 1.00 0.00 C ATOM 1068 O HIS A 68 -15.895 33.743 8.914 1.00 0.00 O ATOM 1069 CB HIS A 68 -13.705 33.914 11.025 1.00 0.00 C ATOM 1070 CG HIS A 68 -14.397 34.983 11.812 1.00 0.00 C ATOM 1071 ND1 HIS A 68 -14.715 34.837 13.145 1.00 0.00 N ATOM 1072 CD2 HIS A 68 -14.831 36.214 11.453 1.00 0.00 C ATOM 1073 CE1 HIS A 68 -15.317 35.934 13.573 1.00 0.00 C ATOM 1074 NE2 HIS A 68 -15.399 36.784 12.566 1.00 0.00 N ATOM 0 H HIS A 68 -13.530 32.227 8.943 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.864 32.192 11.581 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.852 33.549 11.597 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -13.311 34.349 10.106 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -14.746 36.664 10.475 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -15.680 36.105 14.576 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -15.817 37.714 12.608 1.00 0.00 H new ATOM 1082 N THR A 69 -17.005 33.079 10.755 1.00 0.00 N ATOM 1083 CA THR A 69 -18.273 33.683 10.355 1.00 0.00 C ATOM 1084 C THR A 69 -18.518 34.988 11.098 1.00 0.00 C ATOM 1085 O THR A 69 -18.676 34.999 12.320 1.00 0.00 O ATOM 1086 CB THR A 69 -19.457 32.731 10.606 1.00 0.00 C ATOM 1087 OG1 THR A 69 -19.282 31.533 9.839 1.00 0.00 O ATOM 1088 CG2 THR A 69 -20.767 33.395 10.211 1.00 0.00 C ATOM 0 H THR A 69 -17.048 32.542 11.621 1.00 0.00 H new ATOM 0 HA THR A 69 -18.202 33.884 9.286 1.00 0.00 H new ATOM 0 HB THR A 69 -19.490 32.488 11.668 1.00 0.00 H new ATOM 0 HG1 THR A 69 -19.661 31.659 8.944 1.00 0.00 H new ATOM 0 HG21 THR A 69 -21.593 32.708 10.395 1.00 0.00 H new ATOM 0 HG22 THR A 69 -20.909 34.300 10.802 1.00 0.00 H new ATOM 0 HG23 THR A 69 -20.739 33.654 9.153 1.00 0.00 H new ATOM 1096 N THR A 70 -18.546 36.090 10.356 1.00 0.00 N ATOM 1097 CA THR A 70 -18.672 37.415 10.955 1.00 0.00 C ATOM 1098 C THR A 70 -19.986 37.557 11.712 1.00 0.00 C ATOM 1099 O THR A 70 -20.014 38.068 12.833 1.00 0.00 O ATOM 1100 CB THR A 70 -18.580 38.526 9.894 1.00 0.00 C ATOM 1101 OG1 THR A 70 -17.291 38.490 9.270 1.00 0.00 O ATOM 1102 CG2 THR A 70 -18.793 39.892 10.531 1.00 0.00 C ATOM 0 H THR A 70 -18.483 36.092 9.338 1.00 0.00 H new ATOM 0 HA THR A 70 -17.842 37.522 11.653 1.00 0.00 H new ATOM 0 HB THR A 70 -19.357 38.359 9.148 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.235 39.197 8.594 1.00 0.00 H new ATOM 0 HG21 THR A 70 -18.724 40.665 9.766 1.00 0.00 H new ATOM 0 HG22 THR A 70 -19.779 39.927 10.995 1.00 0.00 H new ATOM 0 HG23 THR A 70 -18.029 40.063 11.289 1.00 0.00 H new ATOM 1110 N ALA A 71 -21.070 37.098 11.097 1.00 0.00 N ATOM 1111 CA ALA A 71 -22.400 37.229 11.685 1.00 0.00 C ATOM 1112 C ALA A 71 -23.255 36.008 11.389 1.00 0.00 C ATOM 1113 O ALA A 71 -23.981 35.974 10.393 1.00 0.00 O ATOM 1114 CB ALA A 71 -23.079 38.493 11.176 1.00 0.00 C ATOM 0 H ALA A 71 -21.055 36.631 10.190 1.00 0.00 H new ATOM 0 HA ALA A 71 -22.287 37.302 12.767 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -24.070 38.579 11.622 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -22.481 39.362 11.450 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -23.173 38.444 10.091 1.00 0.00 H new ATOM 1120 N SER A 72 -23.168 35.005 12.258 1.00 0.00 N ATOM 1121 CA SER A 72 -23.871 33.744 12.046 1.00 0.00 C ATOM 1122 C SER A 72 -25.361 33.891 12.328 1.00 0.00 C ATOM 1123 O SER A 72 -25.776 33.997 13.480 1.00 0.00 O ATOM 1124 CB SER A 72 -23.272 32.659 12.920 1.00 0.00 C ATOM 1125 OG SER A 72 -23.922 31.430 12.752 1.00 0.00 O ATOM 0 H SER A 72 -22.617 35.041 13.116 1.00 0.00 H new ATOM 0 HA SER A 72 -23.754 33.461 11.000 1.00 0.00 H new ATOM 0 HB2 SER A 72 -22.214 32.545 12.682 1.00 0.00 H new ATOM 0 HB3 SER A 72 -23.333 32.961 13.966 1.00 0.00 H new ATOM 0 HG SER A 72 -23.485 30.924 12.035 1.00 0.00 H new ATOM 1131 N THR A 73 -26.161 33.890 11.267 1.00 0.00 N ATOM 1132 CA THR A 73 -27.608 34.001 11.400 1.00 0.00 C ATOM 1133 C THR A 73 -28.290 32.666 11.119 1.00 0.00 C ATOM 1134 O THR A 73 -27.629 31.667 10.844 1.00 0.00 O ATOM 1135 CB THR A 73 -28.181 35.070 10.450 1.00 0.00 C ATOM 1136 OG1 THR A 73 -27.980 34.663 9.090 1.00 0.00 O ATOM 1137 CG2 THR A 73 -27.499 36.409 10.681 1.00 0.00 C ATOM 0 H THR A 73 -25.831 33.813 10.305 1.00 0.00 H new ATOM 0 HA THR A 73 -27.809 34.298 12.429 1.00 0.00 H new ATOM 0 HB THR A 73 -29.247 35.178 10.650 1.00 0.00 H new ATOM 0 HG1 THR A 73 -27.027 34.496 8.936 1.00 0.00 H new ATOM 0 HG21 THR A 73 -27.916 37.152 10.001 1.00 0.00 H new ATOM 0 HG22 THR A 73 -27.662 36.727 11.711 1.00 0.00 H new ATOM 0 HG23 THR A 73 -26.429 36.309 10.497 1.00 0.00 H new ATOM 1145 N LEU A 74 -29.617 32.660 11.192 1.00 0.00 N ATOM 1146 CA LEU A 74 -30.386 31.442 10.978 1.00 0.00 C ATOM 1147 C LEU A 74 -30.195 30.907 9.564 1.00 0.00 C ATOM 1148 O LEU A 74 -30.347 29.711 9.316 1.00 0.00 O ATOM 1149 CB LEU A 74 -31.873 31.700 11.255 1.00 0.00 C ATOM 1150 CG LEU A 74 -32.218 32.025 12.713 1.00 0.00 C ATOM 1151 CD1 LEU A 74 -33.690 32.401 12.830 1.00 0.00 C ATOM 1152 CD2 LEU A 74 -31.896 30.826 13.593 1.00 0.00 C ATOM 0 H LEU A 74 -30.181 33.485 11.398 1.00 0.00 H new ATOM 0 HA LEU A 74 -30.021 30.686 11.673 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -32.205 32.526 10.627 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -32.441 30.821 10.951 1.00 0.00 H new ATOM 0 HG LEU A 74 -31.621 32.874 13.047 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -33.926 32.630 13.869 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -33.893 33.275 12.211 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -34.306 31.567 12.494 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -32.142 31.059 14.629 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -32.481 29.967 13.265 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -30.834 30.593 13.516 1.00 0.00 H new ATOM 1164 N ASP A 75 -29.857 31.799 8.639 1.00 0.00 N ATOM 1165 CA ASP A 75 -29.543 31.405 7.274 1.00 0.00 C ATOM 1166 C ASP A 75 -28.130 30.834 7.178 1.00 0.00 C ATOM 1167 O ASP A 75 -27.804 30.125 6.228 1.00 0.00 O ATOM 1168 CB ASP A 75 -29.696 32.595 6.324 1.00 0.00 C ATOM 1169 CG ASP A 75 -31.139 33.001 6.053 1.00 0.00 C ATOM 1170 OD1 ASP A 75 -32.020 32.239 6.375 1.00 0.00 O ATOM 1171 OD2 ASP A 75 -31.357 34.126 5.673 1.00 0.00 O1- ATOM 0 H ASP A 75 -29.794 32.802 8.812 1.00 0.00 H new ATOM 0 HA ASP A 75 -30.247 30.626 6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -29.163 33.449 6.742 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -29.215 32.352 5.376 1.00 0.00 H new ATOM 1176 N ASP A 76 -27.304 31.148 8.168 1.00 0.00 N ATOM 1177 CA ASP A 76 -25.941 30.633 8.219 1.00 0.00 C ATOM 1178 C ASP A 76 -25.869 29.345 9.029 1.00 0.00 C ATOM 1179 O ASP A 76 -24.870 28.626 8.983 1.00 0.00 O ATOM 1180 CB ASP A 76 -24.996 31.681 8.814 1.00 0.00 C ATOM 1181 CG ASP A 76 -24.897 32.968 8.005 1.00 0.00 C ATOM 1182 OD1 ASP A 76 -24.623 32.889 6.830 1.00 0.00 O ATOM 1183 OD2 ASP A 76 -25.250 33.999 8.524 1.00 0.00 O1- ATOM 0 H ASP A 76 -27.554 31.757 8.947 1.00 0.00 H new ATOM 0 HA ASP A 76 -25.629 30.412 7.198 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -25.331 31.924 9.822 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -24.001 31.246 8.905 1.00 0.00 H new ATOM 1188 N ASP A 77 -26.933 29.058 9.772 1.00 0.00 N ATOM 1189 CA ASP A 77 -27.065 27.776 10.458 1.00 0.00 C ATOM 1190 C ASP A 77 -26.999 26.616 9.473 1.00 0.00 C ATOM 1191 O ASP A 77 -27.736 26.579 8.489 1.00 0.00 O ATOM 1192 CB ASP A 77 -28.376 27.724 11.246 1.00 0.00 C ATOM 1193 CG ASP A 77 -28.559 26.462 12.078 1.00 0.00 C ATOM 1194 OD1 ASP A 77 -27.896 25.490 11.802 1.00 0.00 O ATOM 1195 OD2 ASP A 77 -29.242 26.524 13.071 1.00 0.00 O1- ATOM 0 H ASP A 77 -27.717 29.695 9.915 1.00 0.00 H new ATOM 0 HA ASP A 77 -26.230 27.681 11.153 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -28.424 28.590 11.906 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -29.209 27.809 10.548 1.00 0.00 H new ATOM 1200 N GLY A 78 -26.107 25.670 9.744 1.00 0.00 N ATOM 1201 CA GLY A 78 -25.920 24.518 8.868 1.00 0.00 C ATOM 1202 C GLY A 78 -24.567 23.858 9.107 1.00 0.00 C ATOM 1203 O GLY A 78 -23.913 24.109 10.119 1.00 0.00 O ATOM 0 H GLY A 78 -25.501 25.678 10.564 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -26.716 23.794 9.040 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -25.995 24.833 7.827 1.00 0.00 H new ATOM 1207 N ASN A 79 -24.151 23.013 8.169 1.00 0.00 N ATOM 1208 CA ASN A 79 -22.943 22.219 8.335 1.00 0.00 C ATOM 1209 C ASN A 79 -21.808 22.759 7.476 1.00 0.00 C ATOM 1210 O ASN A 79 -21.833 22.645 6.251 1.00 0.00 O ATOM 1211 CB ASN A 79 -23.192 20.756 8.018 1.00 0.00 C ATOM 1212 CG ASN A 79 -24.244 20.119 8.884 1.00 0.00 C ATOM 1213 OD1 ASN A 79 -24.114 20.065 10.112 1.00 0.00 O ATOM 1214 ND2 ASN A 79 -25.242 19.566 8.245 1.00 0.00 N ATOM 0 H ASN A 79 -24.636 22.862 7.284 1.00 0.00 H new ATOM 0 HA ASN A 79 -22.649 22.294 9.382 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -23.491 20.666 6.974 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -22.258 20.205 8.131 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -25.961 19.060 8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -25.301 19.641 7.229 1.00 0.00 H new ATOM 1221 N TYR A 80 -20.810 23.349 8.128 1.00 0.00 N ATOM 1222 CA TYR A 80 -19.633 23.859 7.427 1.00 0.00 C ATOM 1223 C TYR A 80 -18.614 22.755 7.187 1.00 0.00 C ATOM 1224 O TYR A 80 -17.544 22.742 7.796 1.00 0.00 O ATOM 1225 CB TYR A 80 -18.994 25.002 8.221 1.00 0.00 C ATOM 1226 CG TYR A 80 -19.861 26.236 8.326 1.00 0.00 C ATOM 1227 CD1 TYR A 80 -20.943 26.277 9.195 1.00 0.00 C ATOM 1228 CD2 TYR A 80 -19.592 27.359 7.557 1.00 0.00 C ATOM 1229 CE1 TYR A 80 -21.736 27.403 9.293 1.00 0.00 C ATOM 1230 CE2 TYR A 80 -20.380 28.492 7.646 1.00 0.00 C ATOM 1231 CZ TYR A 80 -21.451 28.508 8.516 1.00 0.00 C ATOM 1232 OH TYR A 80 -22.239 29.632 8.613 1.00 0.00 O ATOM 0 H TYR A 80 -20.792 23.486 9.139 1.00 0.00 H new ATOM 0 HA TYR A 80 -19.958 24.237 6.458 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -18.761 24.648 9.225 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -18.049 25.273 7.751 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -21.168 25.414 9.804 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -18.753 27.348 6.877 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -22.574 27.419 9.974 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -20.159 29.358 7.039 1.00 0.00 H new ATOM 0 HH TYR A 80 -23.173 29.366 8.743 1.00 0.00 H new ATOM 1242 N THR A 81 -18.951 21.830 6.296 1.00 0.00 N ATOM 1243 CA THR A 81 -18.141 20.633 6.087 1.00 0.00 C ATOM 1244 C THR A 81 -16.777 20.986 5.510 1.00 0.00 C ATOM 1245 O THR A 81 -16.676 21.792 4.583 1.00 0.00 O ATOM 1246 CB THR A 81 -18.842 19.633 5.148 1.00 0.00 C ATOM 1247 OG1 THR A 81 -20.110 19.261 5.703 1.00 0.00 O ATOM 1248 CG2 THR A 81 -17.988 18.388 4.964 1.00 0.00 C ATOM 0 H THR A 81 -19.781 21.885 5.705 1.00 0.00 H new ATOM 0 HA THR A 81 -18.009 20.168 7.064 1.00 0.00 H new ATOM 0 HB THR A 81 -18.988 20.108 4.178 1.00 0.00 H new ATOM 0 HG1 THR A 81 -20.556 18.626 5.104 1.00 0.00 H new ATOM 0 HG21 THR A 81 -18.498 17.692 4.298 1.00 0.00 H new ATOM 0 HG22 THR A 81 -17.027 18.667 4.531 1.00 0.00 H new ATOM 0 HG23 THR A 81 -17.826 17.912 5.931 1.00 0.00 H new ATOM 1256 N ILE A 82 -15.732 20.379 6.060 1.00 0.00 N ATOM 1257 CA ILE A 82 -14.377 20.592 5.568 1.00 0.00 C ATOM 1258 C ILE A 82 -13.846 19.347 4.871 1.00 0.00 C ATOM 1259 O ILE A 82 -14.072 18.224 5.320 1.00 0.00 O ATOM 1260 CB ILE A 82 -13.417 20.983 6.706 1.00 0.00 C ATOM 1261 CG1 ILE A 82 -11.964 20.906 6.229 1.00 0.00 C ATOM 1262 CG2 ILE A 82 -13.631 20.084 7.914 1.00 0.00 C ATOM 1263 CD1 ILE A 82 -10.959 21.368 7.258 1.00 0.00 C ATOM 0 H ILE A 82 -15.798 19.735 6.848 1.00 0.00 H new ATOM 0 HA ILE A 82 -14.426 21.413 4.852 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.629 22.011 7.001 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -11.737 19.877 5.950 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.854 21.512 5.330 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.944 20.374 8.709 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -14.658 20.186 8.266 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -13.445 19.047 7.634 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -9.953 21.284 6.847 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -11.158 22.407 7.520 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.040 20.747 8.150 1.00 0.00 H new ATOM 1275 N MET A 83 -13.134 19.551 3.763 1.00 0.00 N ATOM 1276 CA MET A 83 -12.645 18.446 2.949 1.00 0.00 C ATOM 1277 C MET A 83 -11.127 18.458 2.858 1.00 0.00 C ATOM 1278 O MET A 83 -10.530 19.434 2.396 1.00 0.00 O ATOM 1279 CB MET A 83 -13.259 18.507 1.551 1.00 0.00 C ATOM 1280 CG MET A 83 -12.754 17.437 0.594 1.00 0.00 C ATOM 1281 SD MET A 83 -13.625 17.450 -0.986 1.00 0.00 S ATOM 1282 CE MET A 83 -13.083 19.018 -1.658 1.00 0.00 C ATOM 0 H MET A 83 -12.884 20.475 3.410 1.00 0.00 H new ATOM 0 HA MET A 83 -12.946 17.515 3.429 1.00 0.00 H new ATOM 0 HB2 MET A 83 -14.342 18.416 1.639 1.00 0.00 H new ATOM 0 HB3 MET A 83 -13.055 19.487 1.121 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.689 17.586 0.418 1.00 0.00 H new ATOM 0 HG3 MET A 83 -12.867 16.457 1.058 1.00 0.00 H new ATOM 0 HE1 MET A 83 -12.740 18.876 -2.683 1.00 0.00 H new ATOM 0 HE2 MET A 83 -13.913 19.724 -1.648 1.00 0.00 H new ATOM 0 HE3 MET A 83 -12.266 19.410 -1.053 1.00 0.00 H new ATOM 1292 N ALA A 84 -10.501 17.370 3.299 1.00 0.00 N ATOM 1293 CA ALA A 84 -9.054 17.235 3.219 1.00 0.00 C ATOM 1294 C ALA A 84 -8.633 16.616 1.889 1.00 0.00 C ATOM 1295 O ALA A 84 -8.098 15.509 1.851 1.00 0.00 O ATOM 1296 CB ALA A 84 -8.534 16.402 4.383 1.00 0.00 C ATOM 0 H ALA A 84 -10.976 16.569 3.716 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.617 18.232 3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.450 16.310 4.309 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.794 16.889 5.323 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.985 15.410 4.351 1.00 0.00 H new ATOM 1302 N ALA A 85 -8.877 17.339 0.802 1.00 0.00 N ATOM 1303 CA ALA A 85 -8.614 16.824 -0.536 1.00 0.00 C ATOM 1304 C ALA A 85 -7.126 16.858 -0.858 1.00 0.00 C ATOM 1305 O ALA A 85 -6.489 17.907 -0.775 1.00 0.00 O ATOM 1306 CB ALA A 85 -9.406 17.612 -1.571 1.00 0.00 C ATOM 0 H ALA A 85 -9.257 18.285 0.822 1.00 0.00 H new ATOM 0 HA ALA A 85 -8.936 15.783 -0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -9.200 17.216 -2.565 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -10.471 17.523 -1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -9.114 18.662 -1.530 1.00 0.00 H new ATOM 1312 N ASN A 86 -6.581 15.703 -1.225 1.00 0.00 N ATOM 1313 CA ASN A 86 -5.204 15.626 -1.703 1.00 0.00 C ATOM 1314 C ASN A 86 -5.028 14.477 -2.685 1.00 0.00 C ATOM 1315 O ASN A 86 -5.966 13.728 -2.955 1.00 0.00 O ATOM 1316 CB ASN A 86 -4.223 15.487 -0.554 1.00 0.00 C ATOM 1317 CG ASN A 86 -4.202 14.117 0.062 1.00 0.00 C ATOM 1318 OD1 ASN A 86 -4.906 13.204 -0.382 1.00 0.00 O ATOM 1319 ND2 ASN A 86 -3.458 13.989 1.132 1.00 0.00 N ATOM 0 H ASN A 86 -7.070 14.808 -1.201 1.00 0.00 H new ATOM 0 HA ASN A 86 -4.991 16.561 -2.221 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.222 15.730 -0.911 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.473 16.218 0.215 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -3.442 13.104 1.639 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -2.894 14.774 1.458 1.00 0.00 H new ATOM 1326 N PRO A 87 -3.819 14.342 -3.220 1.00 0.00 N ATOM 1327 CA PRO A 87 -3.544 13.353 -4.255 1.00 0.00 C ATOM 1328 C PRO A 87 -3.866 11.945 -3.771 1.00 0.00 C ATOM 1329 O PRO A 87 -4.147 11.051 -4.569 1.00 0.00 O ATOM 1330 CB PRO A 87 -2.052 13.532 -4.556 1.00 0.00 C ATOM 1331 CG PRO A 87 -1.772 14.955 -4.209 1.00 0.00 C ATOM 1332 CD PRO A 87 -2.637 15.253 -3.015 1.00 0.00 C ATOM 0 HA PRO A 87 -4.158 13.491 -5.145 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.442 12.851 -3.962 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.831 13.327 -5.603 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.717 15.102 -3.977 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -2.010 15.617 -5.042 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.121 15.040 -2.079 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.935 16.301 -2.984 1.00 0.00 H new ATOM 1340 N GLN A 88 -3.826 11.756 -2.456 1.00 0.00 N ATOM 1341 CA GLN A 88 -3.918 10.421 -1.871 1.00 0.00 C ATOM 1342 C GLN A 88 -5.354 10.075 -1.510 1.00 0.00 C ATOM 1343 O GLN A 88 -5.647 8.956 -1.091 1.00 0.00 O ATOM 1344 CB GLN A 88 -3.036 10.318 -0.623 1.00 0.00 C ATOM 1345 CG GLN A 88 -1.563 10.585 -0.879 1.00 0.00 C ATOM 1346 CD GLN A 88 -0.970 9.631 -1.900 1.00 0.00 C ATOM 1347 OE1 GLN A 88 -1.160 8.415 -1.816 1.00 0.00 O ATOM 1348 NE2 GLN A 88 -0.241 10.178 -2.866 1.00 0.00 N ATOM 0 H GLN A 88 -3.731 12.509 -1.775 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.567 9.710 -2.619 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.398 11.025 0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -3.144 9.321 -0.196 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.438 11.610 -1.228 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.013 10.498 0.058 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.111 11.189 -2.896 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.188 9.587 -3.578 1.00 0.00 H new ATOM 1357 N GLY A 89 -6.252 11.043 -1.678 1.00 0.00 N ATOM 1358 CA GLY A 89 -7.662 10.841 -1.376 1.00 0.00 C ATOM 1359 C GLY A 89 -8.278 12.087 -0.751 1.00 0.00 C ATOM 1360 O GLY A 89 -7.765 13.195 -0.923 1.00 0.00 O ATOM 0 H GLY A 89 -6.025 11.976 -2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.199 10.586 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.773 9.997 -0.695 1.00 0.00 H new ATOM 1364 N ARG A 90 -9.378 11.900 -0.030 1.00 0.00 N ATOM 1365 CA ARG A 90 -10.035 13.002 0.661 1.00 0.00 C ATOM 1366 C ARG A 90 -10.756 12.514 1.911 1.00 0.00 C ATOM 1367 O ARG A 90 -11.221 11.372 1.966 1.00 0.00 O ATOM 1368 CB ARG A 90 -10.970 13.779 -0.255 1.00 0.00 C ATOM 1369 CG ARG A 90 -12.146 12.980 -0.793 1.00 0.00 C ATOM 1370 CD ARG A 90 -13.066 13.756 -1.664 1.00 0.00 C ATOM 1371 NE ARG A 90 -14.239 13.021 -2.108 1.00 0.00 N ATOM 1372 CZ ARG A 90 -15.229 13.541 -2.861 1.00 0.00 C ATOM 1373 NH1 ARG A 90 -15.209 14.803 -3.226 1.00 0.00 N1+ ATOM 1374 NH2 ARG A 90 -16.232 12.752 -3.205 1.00 0.00 N ATOM 0 H ARG A 90 -9.833 10.995 0.091 1.00 0.00 H new ATOM 0 HA ARG A 90 -9.255 13.696 0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.354 14.642 0.289 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.394 14.163 -1.097 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.764 12.128 -1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -12.712 12.579 0.047 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -13.393 14.645 -1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.515 14.099 -2.540 1.00 0.00 H new ATOM 0 HE ARG A 90 -14.319 12.043 -1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -14.437 15.405 -2.940 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.966 15.181 -3.796 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -16.242 11.778 -2.901 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -16.996 13.117 -3.774 1.00 0.00 H new ATOM 1388 N VAL A 91 -10.851 13.381 2.913 1.00 0.00 N ATOM 1389 CA VAL A 91 -11.594 13.072 4.127 1.00 0.00 C ATOM 1390 C VAL A 91 -12.585 14.180 4.462 1.00 0.00 C ATOM 1391 O VAL A 91 -12.250 15.363 4.415 1.00 0.00 O ATOM 1392 CB VAL A 91 -10.652 12.858 5.326 1.00 0.00 C ATOM 1393 CG1 VAL A 91 -11.449 12.510 6.575 1.00 0.00 C ATOM 1394 CG2 VAL A 91 -9.640 11.764 5.020 1.00 0.00 C ATOM 0 H VAL A 91 -10.421 14.306 2.907 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.139 12.147 3.936 1.00 0.00 H new ATOM 0 HB VAL A 91 -10.112 13.787 5.509 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -10.767 12.362 7.412 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.137 13.324 6.806 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -12.015 11.595 6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -8.982 11.626 5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.164 10.831 4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -9.047 12.049 4.151 1.00 0.00 H new ATOM 1404 N SER A 92 -13.810 13.790 4.802 1.00 0.00 N ATOM 1405 CA SER A 92 -14.865 14.749 5.101 1.00 0.00 C ATOM 1406 C SER A 92 -15.160 14.802 6.592 1.00 0.00 C ATOM 1407 O SER A 92 -15.335 13.767 7.239 1.00 0.00 O ATOM 1408 CB SER A 92 -16.122 14.397 4.328 1.00 0.00 C ATOM 1409 OG SER A 92 -17.204 15.215 4.681 1.00 0.00 O ATOM 0 H SER A 92 -14.096 12.814 4.877 1.00 0.00 H new ATOM 0 HA SER A 92 -14.521 15.737 4.794 1.00 0.00 H new ATOM 0 HB2 SER A 92 -15.929 14.493 3.260 1.00 0.00 H new ATOM 0 HB3 SER A 92 -16.381 13.354 4.513 1.00 0.00 H new ATOM 0 HG SER A 92 -17.993 14.957 4.160 1.00 0.00 H new ATOM 1415 N CYS A 93 -15.212 16.011 7.139 1.00 0.00 N ATOM 1416 CA CYS A 93 -15.596 16.207 8.532 1.00 0.00 C ATOM 1417 C CYS A 93 -16.624 17.323 8.671 1.00 0.00 C ATOM 1418 O CYS A 93 -16.445 18.415 8.132 1.00 0.00 O ATOM 1419 CB CYS A 93 -14.276 16.607 9.193 1.00 0.00 C ATOM 1420 SG CYS A 93 -14.394 16.930 10.969 1.00 0.00 S ATOM 0 H CYS A 93 -14.993 16.872 6.638 1.00 0.00 H new ATOM 0 HA CYS A 93 -16.059 15.325 8.975 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -13.547 15.814 9.029 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -13.893 17.500 8.699 1.00 0.00 H new ATOM 0 HG CYS A 93 -13.223 17.258 11.429 1.00 0.00 H new ATOM 1426 N THR A 94 -17.701 17.041 9.395 1.00 0.00 N ATOM 1427 CA THR A 94 -18.838 17.952 9.461 1.00 0.00 C ATOM 1428 C THR A 94 -18.555 19.124 10.390 1.00 0.00 C ATOM 1429 O THR A 94 -18.126 18.931 11.531 1.00 0.00 O ATOM 1430 CB THR A 94 -20.113 17.229 9.934 1.00 0.00 C ATOM 1431 OG1 THR A 94 -20.415 16.151 9.040 1.00 0.00 O ATOM 1432 CG2 THR A 94 -21.288 18.194 9.975 1.00 0.00 C ATOM 0 H THR A 94 -17.811 16.189 9.945 1.00 0.00 H new ATOM 0 HA THR A 94 -18.998 18.328 8.450 1.00 0.00 H new ATOM 0 HB THR A 94 -19.941 16.839 10.937 1.00 0.00 H new ATOM 0 HG1 THR A 94 -21.225 15.691 9.344 1.00 0.00 H new ATOM 0 HG21 THR A 94 -22.181 17.666 10.311 1.00 0.00 H new ATOM 0 HG22 THR A 94 -21.066 19.008 10.665 1.00 0.00 H new ATOM 0 HG23 THR A 94 -21.460 18.600 8.978 1.00 0.00 H new ATOM 1440 N GLY A 95 -18.789 20.334 9.899 1.00 0.00 N ATOM 1441 CA GLY A 95 -18.619 21.535 10.708 1.00 0.00 C ATOM 1442 C GLY A 95 -19.959 22.045 11.225 1.00 0.00 C ATOM 1443 O GLY A 95 -20.319 23.201 11.004 1.00 0.00 O ATOM 0 H GLY A 95 -19.098 20.510 8.943 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.960 21.320 11.549 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -18.136 22.311 10.115 1.00 0.00 H new ATOM 1447 N ARG A 96 -20.693 21.176 11.914 1.00 0.00 N ATOM 1448 CA ARG A 96 -22.023 21.515 12.404 1.00 0.00 C ATOM 1449 C ARG A 96 -22.002 22.802 13.218 1.00 0.00 C ATOM 1450 O ARG A 96 -21.361 22.871 14.267 1.00 0.00 O ATOM 1451 CB ARG A 96 -22.654 20.373 13.185 1.00 0.00 C ATOM 1452 CG ARG A 96 -24.081 20.627 13.646 1.00 0.00 C ATOM 1453 CD ARG A 96 -24.727 19.463 14.305 1.00 0.00 C ATOM 1454 NE ARG A 96 -26.120 19.671 14.667 1.00 0.00 N ATOM 1455 CZ ARG A 96 -26.862 18.807 15.386 1.00 0.00 C ATOM 1456 NH1 ARG A 96 -26.362 17.660 15.790 1.00 0.00 N1+ ATOM 1457 NH2 ARG A 96 -28.114 19.131 15.655 1.00 0.00 N ATOM 0 H ARG A 96 -20.388 20.231 12.145 1.00 0.00 H new ATOM 0 HA ARG A 96 -22.651 21.685 11.530 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -22.642 19.477 12.565 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -22.037 20.164 14.059 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -24.082 21.469 14.339 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -24.681 20.922 12.785 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -24.663 18.603 13.639 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -24.165 19.213 15.204 1.00 0.00 H new ATOM 0 HE ARG A 96 -26.567 20.533 14.354 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -25.399 17.414 15.560 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -26.937 17.016 16.334 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -28.495 20.016 15.320 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -28.700 18.496 16.198 1.00 0.00 H new ATOM 1471 N LEU A 97 -22.701 23.820 12.728 1.00 0.00 N ATOM 1472 CA LEU A 97 -22.914 25.042 13.497 1.00 0.00 C ATOM 1473 C LEU A 97 -24.399 25.366 13.615 1.00 0.00 C ATOM 1474 O LEU A 97 -25.052 25.697 12.623 1.00 0.00 O ATOM 1475 CB LEU A 97 -22.162 26.212 12.850 1.00 0.00 C ATOM 1476 CG LEU A 97 -22.434 27.587 13.474 1.00 0.00 C ATOM 1477 CD1 LEU A 97 -21.987 27.598 14.930 1.00 0.00 C ATOM 1478 CD2 LEU A 97 -21.705 28.660 12.678 1.00 0.00 C ATOM 0 H LEU A 97 -23.130 23.824 11.802 1.00 0.00 H new ATOM 0 HA LEU A 97 -22.524 24.883 14.502 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.092 26.011 12.905 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -22.425 26.252 11.793 1.00 0.00 H new ATOM 0 HG LEU A 97 -23.504 27.794 13.444 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -22.184 28.578 15.364 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -22.537 26.838 15.485 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.919 27.385 14.984 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -21.899 29.637 13.122 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -20.634 28.460 12.694 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -22.060 28.653 11.647 1.00 0.00 H new ATOM 1490 N MET A 98 -24.926 25.266 14.829 1.00 0.00 N ATOM 1491 CA MET A 98 -26.333 25.556 15.080 1.00 0.00 C ATOM 1492 C MET A 98 -26.516 26.972 15.614 1.00 0.00 C ATOM 1493 O MET A 98 -25.719 27.450 16.423 1.00 0.00 O ATOM 1494 CB MET A 98 -26.913 24.540 16.062 1.00 0.00 C ATOM 1495 CG MET A 98 -26.895 23.102 15.565 1.00 0.00 C ATOM 1496 SD MET A 98 -27.913 22.861 14.096 1.00 0.00 S ATOM 1497 CE MET A 98 -29.550 23.114 14.774 1.00 0.00 C ATOM 0 H MET A 98 -24.400 24.986 15.657 1.00 0.00 H new ATOM 0 HA MET A 98 -26.869 25.481 14.134 1.00 0.00 H new ATOM 0 HB2 MET A 98 -26.353 24.596 16.996 1.00 0.00 H new ATOM 0 HB3 MET A 98 -27.942 24.820 16.290 1.00 0.00 H new ATOM 0 HG2 MET A 98 -25.868 22.812 15.342 1.00 0.00 H new ATOM 0 HG3 MET A 98 -27.248 22.443 16.359 1.00 0.00 H new ATOM 0 HE1 MET A 98 -30.295 22.712 14.087 1.00 0.00 H new ATOM 0 HE2 MET A 98 -29.629 22.604 15.734 1.00 0.00 H new ATOM 0 HE3 MET A 98 -29.725 24.181 14.914 1.00 0.00 H new ATOM 1507 N VAL A 99 -27.571 27.637 15.158 1.00 0.00 N ATOM 1508 CA VAL A 99 -27.823 29.025 15.533 1.00 0.00 C ATOM 1509 C VAL A 99 -29.129 29.155 16.309 1.00 0.00 C ATOM 1510 O VAL A 99 -30.188 28.753 15.833 1.00 0.00 O ATOM 1511 CB VAL A 99 -27.875 29.944 14.298 1.00 0.00 C ATOM 1512 CG1 VAL A 99 -28.163 31.379 14.714 1.00 0.00 C ATOM 1513 CG2 VAL A 99 -26.569 29.868 13.521 1.00 0.00 C ATOM 0 H VAL A 99 -28.267 27.238 14.528 1.00 0.00 H new ATOM 0 HA VAL A 99 -26.994 29.336 16.168 1.00 0.00 H new ATOM 0 HB VAL A 99 -28.682 29.603 13.650 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -28.196 32.015 13.829 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -29.123 31.423 15.229 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -27.376 31.729 15.383 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -26.624 30.524 12.652 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -25.746 30.183 14.162 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -26.401 28.843 13.192 1.00 0.00 H new ATOM 1523 N GLN A 100 -29.042 29.724 17.509 1.00 0.00 N ATOM 1524 CA GLN A 100 -30.225 29.990 18.314 1.00 0.00 C ATOM 1525 C GLN A 100 -30.896 31.292 17.890 1.00 0.00 C ATOM 1526 O GLN A 100 -30.286 32.360 17.932 1.00 0.00 O ATOM 1527 CB GLN A 100 -29.859 30.054 19.799 1.00 0.00 C ATOM 1528 CG GLN A 100 -30.953 30.620 20.687 1.00 0.00 C ATOM 1529 CD GLN A 100 -32.176 29.725 20.740 1.00 0.00 C ATOM 1530 OE1 GLN A 100 -32.074 28.526 21.014 1.00 0.00 O ATOM 1531 NE2 GLN A 100 -33.343 30.302 20.473 1.00 0.00 N ATOM 0 H GLN A 100 -28.164 30.009 17.943 1.00 0.00 H new ATOM 0 HA GLN A 100 -30.927 29.172 18.155 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -29.610 29.050 20.144 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -28.962 30.662 19.914 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -30.563 30.758 21.696 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -31.242 31.605 20.320 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -33.381 31.297 20.251 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -34.201 29.750 20.490 1.00 0.00 H new