USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 442 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 23:sc= 0.556 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00641 USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= 0.396 (180deg=-0.039) USER MOD Single : A 52 LYS NZ :NH3+ 170:sc= -0.642 (180deg=-1.17) USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= -0.0629 (180deg=-0.239) USER MOD Single : A 57 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.18) USER MOD Single : A 58 ASN : amide:sc= 0.823 K(o=0.82,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 64 LYS NZ :NH3+ -110:sc= 0.954 (180deg=-0.809) USER MOD Single : A 68 ASN : amide:sc= -0.0656 K(o=-0.066,f=-1.3) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.528 X(o=-0.53,f=-0.53) USER MOD Single : A 74 THR OG1 : rot -80:sc= 0.703 USER MOD Single : A 77 GLN : amide:sc= 0.405 K(o=0.4,f=-3.7!) USER MOD Single : A 78 CYS SG : rot 92:sc= 0.247 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 80 HIS : no HD1:sc= -0.0574 X(o=-0.057,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.471 X(o=-0.47,f=-0.33) USER MOD Single : A 84 LYS NZ :NH3+ 167:sc= 1.01 (180deg=0.642) USER MOD Single : A 87 ASN : amide:sc= 0.965 K(o=0.97,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 38 3.697 -11.979 -12.214 1.00 0.00 N ATOM 2 CA LEU A 38 4.953 -11.995 -11.442 1.00 0.00 C ATOM 3 C LEU A 38 5.203 -10.619 -10.829 1.00 0.00 C ATOM 4 O LEU A 38 4.512 -9.658 -11.162 1.00 0.00 O ATOM 5 CB LEU A 38 6.140 -12.399 -12.332 1.00 0.00 C ATOM 6 CG LEU A 38 5.883 -13.758 -13.007 1.00 0.00 C ATOM 7 CD1 LEU A 38 7.086 -14.120 -13.882 1.00 0.00 C ATOM 8 CD2 LEU A 38 5.682 -14.848 -11.949 1.00 0.00 C ATOM 0 HA LEU A 38 4.858 -12.733 -10.645 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.305 -11.636 -13.093 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.048 -12.453 -11.732 1.00 0.00 H new ATOM 0 HG LEU A 38 4.983 -13.687 -13.618 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.910 -15.082 -14.363 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.225 -13.353 -14.644 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.981 -14.183 -13.263 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.501 -15.804 -12.441 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.575 -14.922 -11.329 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.826 -14.594 -11.323 1.00 0.00 H new ATOM 22 N GLY A 39 6.191 -10.529 -9.933 1.00 0.00 N ATOM 23 CA GLY A 39 6.531 -9.279 -9.276 1.00 0.00 C ATOM 24 C GLY A 39 7.688 -9.503 -8.308 1.00 0.00 C ATOM 25 O GLY A 39 8.334 -10.547 -8.356 1.00 0.00 O ATOM 0 H GLY A 39 6.770 -11.320 -9.649 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.806 -8.530 -10.019 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.665 -8.892 -8.739 1.00 0.00 H new ATOM 29 N LYS A 40 7.936 -8.514 -7.431 1.00 0.00 N ATOM 30 CA LYS A 40 9.009 -8.575 -6.439 1.00 0.00 C ATOM 31 C LYS A 40 10.372 -8.622 -7.136 1.00 0.00 C ATOM 32 O LYS A 40 10.832 -9.691 -7.536 1.00 0.00 O ATOM 33 CB LYS A 40 8.808 -9.791 -5.519 1.00 0.00 C ATOM 34 CG LYS A 40 9.759 -9.693 -4.320 1.00 0.00 C ATOM 35 CD LYS A 40 9.435 -10.790 -3.299 1.00 0.00 C ATOM 36 CE LYS A 40 9.778 -12.168 -3.877 1.00 0.00 C ATOM 37 NZ LYS A 40 9.660 -13.217 -2.848 1.00 0.00 N ATOM 0 H LYS A 40 7.393 -7.651 -7.395 1.00 0.00 H new ATOM 0 HA LYS A 40 8.980 -7.677 -5.822 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.775 -9.832 -5.174 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.996 -10.712 -6.071 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.791 -9.791 -4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.668 -8.712 -3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.999 -10.621 -2.382 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.378 -10.751 -3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.111 -12.393 -4.709 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.793 -12.157 -4.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.897 -14.140 -3.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.314 -13.011 -2.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.685 -13.241 -2.487 1.00 0.00 H new ATOM 51 N THR A 41 11.013 -7.446 -7.272 1.00 0.00 N ATOM 52 CA THR A 41 12.321 -7.317 -7.917 1.00 0.00 C ATOM 53 C THR A 41 12.350 -8.121 -9.221 1.00 0.00 C ATOM 54 O THR A 41 13.155 -9.038 -9.376 1.00 0.00 O ATOM 55 CB THR A 41 13.437 -7.763 -6.951 1.00 0.00 C ATOM 56 OG1 THR A 41 13.173 -9.058 -6.454 1.00 0.00 O ATOM 57 CG2 THR A 41 13.523 -6.784 -5.777 1.00 0.00 C ATOM 0 H THR A 41 10.633 -6.561 -6.935 1.00 0.00 H new ATOM 0 HA THR A 41 12.496 -6.271 -8.168 1.00 0.00 H new ATOM 0 HB THR A 41 14.381 -7.776 -7.495 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.573 -9.529 -7.070 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.312 -7.101 -5.096 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.747 -5.785 -6.152 1.00 0.00 H new ATOM 0 HG23 THR A 41 12.571 -6.767 -5.247 1.00 0.00 H new ATOM 65 N ARG A 42 11.460 -7.765 -10.156 1.00 0.00 N ATOM 66 CA ARG A 42 11.368 -8.441 -11.440 1.00 0.00 C ATOM 67 C ARG A 42 12.615 -8.140 -12.279 1.00 0.00 C ATOM 68 O ARG A 42 13.268 -7.114 -12.080 1.00 0.00 O ATOM 69 CB ARG A 42 10.094 -7.970 -12.155 1.00 0.00 C ATOM 70 CG ARG A 42 9.839 -8.823 -13.403 1.00 0.00 C ATOM 71 CD ARG A 42 8.451 -8.509 -13.971 1.00 0.00 C ATOM 72 NE ARG A 42 8.331 -7.089 -14.338 1.00 0.00 N ATOM 73 CZ ARG A 42 8.853 -6.567 -15.465 1.00 0.00 C ATOM 74 NH1 ARG A 42 9.560 -7.337 -16.305 1.00 0.00 N ATOM 75 NH2 ARG A 42 8.665 -5.272 -15.747 1.00 0.00 N ATOM 0 H ARG A 42 10.791 -7.004 -10.037 1.00 0.00 H new ATOM 0 HA ARG A 42 11.316 -9.520 -11.295 1.00 0.00 H new ATOM 0 HB2 ARG A 42 9.242 -8.039 -11.478 1.00 0.00 H new ATOM 0 HB3 ARG A 42 10.193 -6.922 -12.437 1.00 0.00 H new ATOM 0 HG2 ARG A 42 10.603 -8.623 -14.154 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.908 -9.881 -13.152 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.266 -9.130 -14.847 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.689 -8.762 -13.234 1.00 0.00 H new ATOM 0 HE ARG A 42 7.826 -6.467 -13.706 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.705 -8.324 -16.092 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.953 -6.936 -17.157 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.128 -4.684 -15.110 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.059 -4.873 -16.599 1.00 0.00 H new ATOM 89 N TRP A 43 12.937 -9.041 -13.216 1.00 0.00 N ATOM 90 CA TRP A 43 14.095 -8.892 -14.088 1.00 0.00 C ATOM 91 C TRP A 43 13.655 -8.923 -15.552 1.00 0.00 C ATOM 92 O TRP A 43 12.514 -9.279 -15.854 1.00 0.00 O ATOM 93 CB TRP A 43 15.089 -10.019 -13.794 1.00 0.00 C ATOM 94 CG TRP A 43 16.044 -9.723 -12.682 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.788 -9.852 -11.368 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.416 -9.237 -12.762 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.880 -9.490 -10.616 1.00 0.00 N ATOM 98 CE2 TRP A 43 17.926 -9.095 -11.432 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.290 -8.899 -13.820 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.223 -8.643 -11.173 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.597 -8.439 -13.561 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.058 -8.307 -12.240 1.00 0.00 C ATOM 0 H TRP A 43 12.399 -9.891 -13.386 1.00 0.00 H new ATOM 0 HA TRP A 43 14.579 -7.933 -13.901 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.533 -10.923 -13.548 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.658 -10.231 -14.699 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.849 -10.194 -10.958 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.915 -9.510 -9.597 1.00 0.00 H new ATOM 0 HE3 TRP A 43 17.952 -8.994 -14.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.576 -8.554 -10.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.249 -8.186 -14.384 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.058 -7.946 -12.050 1.00 0.00 H new ATOM 113 N THR A 44 14.570 -8.544 -16.455 1.00 0.00 N ATOM 114 CA THR A 44 14.306 -8.523 -17.887 1.00 0.00 C ATOM 115 C THR A 44 15.496 -9.129 -18.624 1.00 0.00 C ATOM 116 O THR A 44 16.601 -9.162 -18.090 1.00 0.00 O ATOM 117 CB THR A 44 14.073 -7.078 -18.348 1.00 0.00 C ATOM 118 OG1 THR A 44 15.189 -6.284 -17.999 1.00 0.00 O ATOM 119 CG2 THR A 44 12.817 -6.512 -17.683 1.00 0.00 C ATOM 0 H THR A 44 15.513 -8.244 -16.205 1.00 0.00 H new ATOM 0 HA THR A 44 13.413 -9.108 -18.107 1.00 0.00 H new ATOM 0 HB THR A 44 13.940 -7.067 -19.430 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.040 -5.362 -18.295 1.00 0.00 H new ATOM 0 HG21 THR A 44 12.660 -5.486 -18.016 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.955 -7.119 -17.958 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.940 -6.527 -16.600 1.00 0.00 H new ATOM 127 N ARG A 45 15.268 -9.603 -19.856 1.00 0.00 N ATOM 128 CA ARG A 45 16.322 -10.203 -20.666 1.00 0.00 C ATOM 129 C ARG A 45 17.482 -9.220 -20.835 1.00 0.00 C ATOM 130 O ARG A 45 18.641 -9.620 -20.815 1.00 0.00 O ATOM 131 CB ARG A 45 15.750 -10.589 -22.035 1.00 0.00 C ATOM 132 CG ARG A 45 16.699 -11.567 -22.745 1.00 0.00 C ATOM 133 CD ARG A 45 16.826 -11.190 -24.225 1.00 0.00 C ATOM 134 NE ARG A 45 17.824 -10.123 -24.414 1.00 0.00 N ATOM 135 CZ ARG A 45 17.847 -9.306 -25.486 1.00 0.00 C ATOM 136 NH1 ARG A 45 16.882 -9.374 -26.415 1.00 0.00 N ATOM 137 NH2 ARG A 45 18.842 -8.424 -25.627 1.00 0.00 N ATOM 0 H ARG A 45 14.355 -9.579 -20.311 1.00 0.00 H new ATOM 0 HA ARG A 45 16.698 -11.096 -20.167 1.00 0.00 H new ATOM 0 HB2 ARG A 45 14.768 -11.047 -21.912 1.00 0.00 H new ATOM 0 HB3 ARG A 45 15.611 -9.696 -22.645 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.680 -11.545 -22.270 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.322 -12.585 -22.651 1.00 0.00 H new ATOM 0 HD2 ARG A 45 17.113 -12.068 -24.804 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.859 -10.860 -24.604 1.00 0.00 H new ATOM 0 HE ARG A 45 18.536 -9.996 -23.695 1.00 0.00 H new ATOM 0 HH11 ARG A 45 16.123 -10.048 -26.313 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.907 -8.752 -27.223 1.00 0.00 H new ATOM 0 HH21 ARG A 45 19.580 -8.371 -24.925 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.863 -7.804 -26.437 1.00 0.00 H new ATOM 151 N GLU A 46 17.160 -7.932 -21.007 1.00 0.00 N ATOM 152 CA GLU A 46 18.166 -6.898 -21.195 1.00 0.00 C ATOM 153 C GLU A 46 19.059 -6.802 -19.955 1.00 0.00 C ATOM 154 O GLU A 46 20.281 -6.897 -20.061 1.00 0.00 O ATOM 155 CB GLU A 46 17.464 -5.558 -21.477 1.00 0.00 C ATOM 156 CG GLU A 46 18.109 -4.870 -22.687 1.00 0.00 C ATOM 157 CD GLU A 46 19.554 -4.479 -22.401 1.00 0.00 C ATOM 158 OE1 GLU A 46 19.796 -3.950 -21.294 1.00 0.00 O ATOM 159 OE2 GLU A 46 20.396 -4.709 -23.294 1.00 0.00 O ATOM 0 H GLU A 46 16.200 -7.587 -21.019 1.00 0.00 H new ATOM 0 HA GLU A 46 18.801 -7.149 -22.045 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.404 -5.727 -21.667 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.532 -4.912 -20.602 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.075 -5.538 -23.548 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.536 -3.981 -22.950 1.00 0.00 H new ATOM 166 N GLU A 47 18.446 -6.613 -18.778 1.00 0.00 N ATOM 167 CA GLU A 47 19.190 -6.487 -17.533 1.00 0.00 C ATOM 168 C GLU A 47 19.995 -7.764 -17.272 1.00 0.00 C ATOM 169 O GLU A 47 21.163 -7.692 -16.898 1.00 0.00 O ATOM 170 CB GLU A 47 18.215 -6.203 -16.383 1.00 0.00 C ATOM 171 CG GLU A 47 18.969 -5.601 -15.188 1.00 0.00 C ATOM 172 CD GLU A 47 19.089 -4.082 -15.303 1.00 0.00 C ATOM 173 OE1 GLU A 47 19.063 -3.590 -16.450 1.00 0.00 O ATOM 174 OE2 GLU A 47 19.202 -3.441 -14.234 1.00 0.00 O ATOM 0 H GLU A 47 17.434 -6.545 -18.670 1.00 0.00 H new ATOM 0 HA GLU A 47 19.892 -5.656 -17.606 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.438 -5.515 -16.716 1.00 0.00 H new ATOM 0 HB3 GLU A 47 17.717 -7.125 -16.082 1.00 0.00 H new ATOM 0 HG2 GLU A 47 18.450 -5.856 -14.264 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.964 -6.041 -15.126 1.00 0.00 H new ATOM 181 N ASP A 48 19.369 -8.932 -17.473 1.00 0.00 N ATOM 182 CA ASP A 48 20.035 -10.213 -17.270 1.00 0.00 C ATOM 183 C ASP A 48 21.264 -10.306 -18.171 1.00 0.00 C ATOM 184 O ASP A 48 22.339 -10.680 -17.712 1.00 0.00 O ATOM 185 CB ASP A 48 19.061 -11.360 -17.574 1.00 0.00 C ATOM 186 CG ASP A 48 18.177 -11.673 -16.372 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.745 -11.814 -15.270 1.00 0.00 O ATOM 188 OD2 ASP A 48 16.947 -11.775 -16.573 1.00 0.00 O ATOM 0 H ASP A 48 18.398 -9.009 -17.777 1.00 0.00 H new ATOM 0 HA ASP A 48 20.356 -10.292 -16.231 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.437 -11.093 -18.427 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.622 -12.251 -17.856 1.00 0.00 H new ATOM 193 N GLU A 49 21.103 -9.966 -19.453 1.00 0.00 N ATOM 194 CA GLU A 49 22.199 -10.009 -20.408 1.00 0.00 C ATOM 195 C GLU A 49 23.339 -9.110 -19.930 1.00 0.00 C ATOM 196 O GLU A 49 24.497 -9.528 -19.916 1.00 0.00 O ATOM 197 CB GLU A 49 21.687 -9.563 -21.780 1.00 0.00 C ATOM 198 CG GLU A 49 22.784 -9.745 -22.834 1.00 0.00 C ATOM 199 CD GLU A 49 22.322 -9.235 -24.192 1.00 0.00 C ATOM 200 OE1 GLU A 49 21.089 -9.227 -24.410 1.00 0.00 O ATOM 201 OE2 GLU A 49 23.209 -8.862 -24.988 1.00 0.00 O ATOM 0 H GLU A 49 20.215 -9.657 -19.849 1.00 0.00 H new ATOM 0 HA GLU A 49 22.582 -11.026 -20.490 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.807 -10.144 -22.055 1.00 0.00 H new ATOM 0 HB3 GLU A 49 21.379 -8.518 -21.740 1.00 0.00 H new ATOM 0 HG2 GLU A 49 23.682 -9.210 -22.526 1.00 0.00 H new ATOM 0 HG3 GLU A 49 23.051 -10.799 -22.909 1.00 0.00 H new ATOM 208 N LYS A 50 23.008 -7.876 -19.533 1.00 0.00 N ATOM 209 CA LYS A 50 24.002 -6.932 -19.049 1.00 0.00 C ATOM 210 C LYS A 50 24.723 -7.525 -17.839 1.00 0.00 C ATOM 211 O LYS A 50 25.947 -7.438 -17.743 1.00 0.00 O ATOM 212 CB LYS A 50 23.320 -5.608 -18.680 1.00 0.00 C ATOM 213 CG LYS A 50 22.766 -4.928 -19.939 1.00 0.00 C ATOM 214 CD LYS A 50 23.865 -4.100 -20.615 1.00 0.00 C ATOM 215 CE LYS A 50 23.426 -3.713 -22.031 1.00 0.00 C ATOM 216 NZ LYS A 50 22.194 -2.905 -22.008 1.00 0.00 N ATOM 0 H LYS A 50 22.054 -7.514 -19.540 1.00 0.00 H new ATOM 0 HA LYS A 50 24.736 -6.737 -19.831 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.512 -5.792 -17.972 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.033 -4.949 -18.186 1.00 0.00 H new ATOM 0 HG2 LYS A 50 22.388 -5.680 -20.632 1.00 0.00 H new ATOM 0 HG3 LYS A 50 21.926 -4.286 -19.675 1.00 0.00 H new ATOM 0 HD2 LYS A 50 24.069 -3.203 -20.030 1.00 0.00 H new ATOM 0 HD3 LYS A 50 24.792 -4.673 -20.655 1.00 0.00 H new ATOM 0 HE2 LYS A 50 24.222 -3.152 -22.520 1.00 0.00 H new ATOM 0 HE3 LYS A 50 23.261 -4.614 -22.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 21.819 -2.816 -22.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.486 -3.369 -21.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.406 -1.959 -21.630 1.00 0.00 H new ATOM 230 N LEU A 51 23.962 -8.132 -16.917 1.00 0.00 N ATOM 231 CA LEU A 51 24.529 -8.736 -15.725 1.00 0.00 C ATOM 232 C LEU A 51 25.512 -9.833 -16.121 1.00 0.00 C ATOM 233 O LEU A 51 26.621 -9.877 -15.606 1.00 0.00 O ATOM 234 CB LEU A 51 23.401 -9.301 -14.848 1.00 0.00 C ATOM 235 CG LEU A 51 23.967 -9.813 -13.513 1.00 0.00 C ATOM 236 CD1 LEU A 51 24.265 -8.633 -12.585 1.00 0.00 C ATOM 237 CD2 LEU A 51 22.947 -10.735 -12.845 1.00 0.00 C ATOM 0 H LEU A 51 22.947 -8.212 -16.984 1.00 0.00 H new ATOM 0 HA LEU A 51 25.069 -7.982 -15.152 1.00 0.00 H new ATOM 0 HB2 LEU A 51 22.655 -8.529 -14.662 1.00 0.00 H new ATOM 0 HB3 LEU A 51 22.896 -10.113 -15.372 1.00 0.00 H new ATOM 0 HG LEU A 51 24.889 -10.362 -13.705 1.00 0.00 H new ATOM 0 HD11 LEU A 51 24.666 -9.004 -11.642 1.00 0.00 H new ATOM 0 HD12 LEU A 51 24.996 -7.975 -13.056 1.00 0.00 H new ATOM 0 HD13 LEU A 51 23.346 -8.078 -12.396 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.349 -11.097 -11.899 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.025 -10.184 -12.660 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.739 -11.582 -13.499 1.00 0.00 H new ATOM 249 N LYS A 52 25.105 -10.719 -17.040 1.00 0.00 N ATOM 250 CA LYS A 52 25.959 -11.809 -17.491 1.00 0.00 C ATOM 251 C LYS A 52 27.292 -11.256 -17.987 1.00 0.00 C ATOM 252 O LYS A 52 28.348 -11.707 -17.557 1.00 0.00 O ATOM 253 CB LYS A 52 25.260 -12.595 -18.608 1.00 0.00 C ATOM 254 CG LYS A 52 23.974 -13.251 -18.076 1.00 0.00 C ATOM 255 CD LYS A 52 24.016 -14.772 -18.294 1.00 0.00 C ATOM 256 CE LYS A 52 23.523 -15.122 -19.705 1.00 0.00 C ATOM 257 NZ LYS A 52 24.342 -14.472 -20.745 1.00 0.00 N ATOM 0 H LYS A 52 24.186 -10.696 -17.482 1.00 0.00 H new ATOM 0 HA LYS A 52 26.148 -12.482 -16.655 1.00 0.00 H new ATOM 0 HB2 LYS A 52 25.020 -11.928 -19.436 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.931 -13.360 -18.999 1.00 0.00 H new ATOM 0 HG2 LYS A 52 23.860 -13.033 -17.014 1.00 0.00 H new ATOM 0 HG3 LYS A 52 23.107 -12.829 -18.583 1.00 0.00 H new ATOM 0 HD2 LYS A 52 25.033 -15.138 -18.156 1.00 0.00 H new ATOM 0 HD3 LYS A 52 23.394 -15.270 -17.550 1.00 0.00 H new ATOM 0 HE2 LYS A 52 23.551 -16.203 -19.843 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.483 -14.813 -19.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 24.092 -14.860 -21.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 24.164 -13.447 -20.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 25.349 -14.650 -20.555 1.00 0.00 H new ATOM 271 N LYS A 53 27.238 -10.277 -18.895 1.00 0.00 N ATOM 272 CA LYS A 53 28.438 -9.678 -19.458 1.00 0.00 C ATOM 273 C LYS A 53 29.325 -9.111 -18.346 1.00 0.00 C ATOM 274 O LYS A 53 30.521 -9.389 -18.306 1.00 0.00 O ATOM 275 CB LYS A 53 28.040 -8.576 -20.446 1.00 0.00 C ATOM 276 CG LYS A 53 27.404 -9.203 -21.695 1.00 0.00 C ATOM 277 CD LYS A 53 26.918 -8.101 -22.649 1.00 0.00 C ATOM 278 CE LYS A 53 27.923 -7.901 -23.791 1.00 0.00 C ATOM 279 NZ LYS A 53 29.229 -7.436 -23.287 1.00 0.00 N ATOM 0 H LYS A 53 26.367 -9.885 -19.254 1.00 0.00 H new ATOM 0 HA LYS A 53 29.008 -10.442 -19.987 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.337 -7.889 -19.975 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.917 -7.993 -20.727 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.129 -9.840 -22.202 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.568 -9.840 -21.406 1.00 0.00 H new ATOM 0 HD2 LYS A 53 25.943 -8.368 -23.057 1.00 0.00 H new ATOM 0 HD3 LYS A 53 26.790 -7.167 -22.101 1.00 0.00 H new ATOM 0 HE2 LYS A 53 28.053 -8.839 -24.331 1.00 0.00 H new ATOM 0 HE3 LYS A 53 27.527 -7.176 -24.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 29.846 -7.198 -24.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 29.092 -6.593 -22.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 29.671 -8.189 -22.722 1.00 0.00 H new ATOM 293 N LEU A 54 28.739 -8.311 -17.448 1.00 0.00 N ATOM 294 CA LEU A 54 29.487 -7.680 -16.366 1.00 0.00 C ATOM 295 C LEU A 54 30.130 -8.729 -15.455 1.00 0.00 C ATOM 296 O LEU A 54 31.285 -8.577 -15.067 1.00 0.00 O ATOM 297 CB LEU A 54 28.548 -6.775 -15.560 1.00 0.00 C ATOM 298 CG LEU A 54 28.192 -5.519 -16.370 1.00 0.00 C ATOM 299 CD1 LEU A 54 26.948 -4.864 -15.768 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.356 -4.523 -16.332 1.00 0.00 C ATOM 0 H LEU A 54 27.744 -8.087 -17.454 1.00 0.00 H new ATOM 0 HA LEU A 54 30.289 -7.080 -16.797 1.00 0.00 H new ATOM 0 HB2 LEU A 54 27.640 -7.320 -15.303 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.024 -6.488 -14.622 1.00 0.00 H new ATOM 0 HG LEU A 54 27.998 -5.804 -17.404 1.00 0.00 H new ATOM 0 HD11 LEU A 54 26.693 -3.972 -16.341 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.115 -5.567 -15.800 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.148 -4.586 -14.733 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.095 -3.636 -16.909 1.00 0.00 H new ATOM 0 HD22 LEU A 54 29.558 -4.238 -15.299 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.245 -4.986 -16.761 1.00 0.00 H new ATOM 312 N VAL A 55 29.385 -9.783 -15.107 1.00 0.00 N ATOM 313 CA VAL A 55 29.885 -10.830 -14.222 1.00 0.00 C ATOM 314 C VAL A 55 31.051 -11.568 -14.879 1.00 0.00 C ATOM 315 O VAL A 55 32.094 -11.743 -14.258 1.00 0.00 O ATOM 316 CB VAL A 55 28.742 -11.800 -13.878 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.308 -13.075 -13.243 1.00 0.00 C ATOM 318 CG2 VAL A 55 27.786 -11.132 -12.887 1.00 0.00 C ATOM 0 H VAL A 55 28.428 -9.930 -15.429 1.00 0.00 H new ATOM 0 HA VAL A 55 30.252 -10.380 -13.299 1.00 0.00 H new ATOM 0 HB VAL A 55 28.209 -12.057 -14.794 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.491 -13.756 -13.003 1.00 0.00 H new ATOM 0 HG12 VAL A 55 29.989 -13.559 -13.943 1.00 0.00 H new ATOM 0 HG13 VAL A 55 29.847 -12.819 -12.331 1.00 0.00 H new ATOM 0 HG21 VAL A 55 26.976 -11.819 -12.643 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.328 -10.872 -11.977 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.372 -10.228 -13.334 1.00 0.00 H new ATOM 328 N GLU A 56 30.873 -12.004 -16.128 1.00 0.00 N ATOM 329 CA GLU A 56 31.910 -12.737 -16.842 1.00 0.00 C ATOM 330 C GLU A 56 33.171 -11.879 -16.984 1.00 0.00 C ATOM 331 O GLU A 56 34.282 -12.388 -16.856 1.00 0.00 O ATOM 332 CB GLU A 56 31.381 -13.159 -18.218 1.00 0.00 C ATOM 333 CG GLU A 56 30.287 -14.225 -18.060 1.00 0.00 C ATOM 334 CD GLU A 56 30.858 -15.528 -17.512 1.00 0.00 C ATOM 335 OE1 GLU A 56 31.762 -16.077 -18.178 1.00 0.00 O ATOM 336 OE2 GLU A 56 30.379 -15.951 -16.436 1.00 0.00 O ATOM 0 H GLU A 56 30.017 -11.860 -16.663 1.00 0.00 H new ATOM 0 HA GLU A 56 32.175 -13.630 -16.276 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.981 -12.292 -18.744 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.197 -13.552 -18.825 1.00 0.00 H new ATOM 0 HG2 GLU A 56 29.510 -13.856 -17.390 1.00 0.00 H new ATOM 0 HG3 GLU A 56 29.814 -14.410 -19.025 1.00 0.00 H new ATOM 343 N GLN A 57 32.999 -10.578 -17.252 1.00 0.00 N ATOM 344 CA GLN A 57 34.125 -9.669 -17.419 1.00 0.00 C ATOM 345 C GLN A 57 34.843 -9.452 -16.085 1.00 0.00 C ATOM 346 O GLN A 57 36.054 -9.644 -15.998 1.00 0.00 O ATOM 347 CB GLN A 57 33.622 -8.332 -17.980 1.00 0.00 C ATOM 348 CG GLN A 57 33.297 -8.477 -19.472 1.00 0.00 C ATOM 349 CD GLN A 57 34.566 -8.647 -20.302 1.00 0.00 C ATOM 350 OE1 GLN A 57 34.757 -9.676 -20.944 1.00 0.00 O ATOM 351 NE2 GLN A 57 35.434 -7.635 -20.290 1.00 0.00 N ATOM 0 H GLN A 57 32.085 -10.137 -17.357 1.00 0.00 H new ATOM 0 HA GLN A 57 34.837 -10.107 -18.119 1.00 0.00 H new ATOM 0 HB2 GLN A 57 32.734 -8.011 -17.436 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.379 -7.561 -17.838 1.00 0.00 H new ATOM 0 HG2 GLN A 57 32.644 -9.337 -19.622 1.00 0.00 H new ATOM 0 HG3 GLN A 57 32.751 -7.598 -19.815 1.00 0.00 H new ATOM 0 HE21 GLN A 57 35.234 -6.798 -19.742 1.00 0.00 H new ATOM 0 HE22 GLN A 57 36.298 -7.698 -20.829 1.00 0.00 H new ATOM 360 N ASN A 58 34.097 -9.042 -15.051 1.00 0.00 N ATOM 361 CA ASN A 58 34.673 -8.768 -13.740 1.00 0.00 C ATOM 362 C ASN A 58 34.818 -10.069 -12.950 1.00 0.00 C ATOM 363 O ASN A 58 35.902 -10.646 -12.899 1.00 0.00 O ATOM 364 CB ASN A 58 33.785 -7.766 -12.987 1.00 0.00 C ATOM 365 CG ASN A 58 33.793 -6.402 -13.668 1.00 0.00 C ATOM 366 OD1 ASN A 58 34.631 -5.558 -13.363 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.856 -6.186 -14.592 1.00 0.00 N ATOM 0 H ASN A 58 33.089 -8.894 -15.104 1.00 0.00 H new ATOM 0 HA ASN A 58 35.664 -8.332 -13.862 1.00 0.00 H new ATOM 0 HB2 ASN A 58 32.764 -8.145 -12.939 1.00 0.00 H new ATOM 0 HB3 ASN A 58 34.136 -7.665 -11.960 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.816 -5.290 -15.078 1.00 0.00 H new ATOM 0 HD22 ASN A 58 32.180 -6.917 -14.813 1.00 0.00 H new ATOM 374 N GLY A 59 33.724 -10.523 -12.331 1.00 0.00 N ATOM 375 CA GLY A 59 33.724 -11.740 -11.537 1.00 0.00 C ATOM 376 C GLY A 59 32.611 -11.675 -10.497 1.00 0.00 C ATOM 377 O GLY A 59 31.927 -10.658 -10.379 1.00 0.00 O ATOM 0 H GLY A 59 32.819 -10.054 -12.370 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.582 -12.607 -12.182 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.688 -11.864 -11.044 1.00 0.00 H new ATOM 381 N THR A 60 32.434 -12.763 -9.739 1.00 0.00 N ATOM 382 CA THR A 60 31.413 -12.835 -8.700 1.00 0.00 C ATOM 383 C THR A 60 32.001 -12.382 -7.357 1.00 0.00 C ATOM 384 O THR A 60 31.584 -12.864 -6.304 1.00 0.00 O ATOM 385 CB THR A 60 30.900 -14.279 -8.611 1.00 0.00 C ATOM 386 OG1 THR A 60 31.990 -15.154 -8.410 1.00 0.00 O ATOM 387 CG2 THR A 60 30.182 -14.657 -9.909 1.00 0.00 C ATOM 0 H THR A 60 32.993 -13.611 -9.831 1.00 0.00 H new ATOM 0 HA THR A 60 30.582 -12.174 -8.945 1.00 0.00 H new ATOM 0 HB THR A 60 30.204 -14.360 -7.776 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.663 -16.076 -8.351 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.820 -15.683 -9.839 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.339 -13.985 -10.067 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.875 -14.573 -10.746 1.00 0.00 H new ATOM 395 N ASP A 61 32.976 -11.460 -7.403 1.00 0.00 N ATOM 396 CA ASP A 61 33.639 -10.958 -6.208 1.00 0.00 C ATOM 397 C ASP A 61 32.890 -9.724 -5.679 1.00 0.00 C ATOM 398 O ASP A 61 31.782 -9.856 -5.160 1.00 0.00 O ATOM 399 CB ASP A 61 35.103 -10.647 -6.558 1.00 0.00 C ATOM 400 CG ASP A 61 35.879 -10.176 -5.334 1.00 0.00 C ATOM 401 OD1 ASP A 61 35.997 -10.986 -4.390 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.339 -9.016 -5.371 1.00 0.00 O ATOM 0 H ASP A 61 33.320 -11.048 -8.271 1.00 0.00 H new ATOM 0 HA ASP A 61 33.628 -11.703 -5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.577 -11.537 -6.971 1.00 0.00 H new ATOM 0 HB3 ASP A 61 35.139 -9.879 -7.331 1.00 0.00 H new ATOM 407 N ASP A 62 33.489 -8.529 -5.811 1.00 0.00 N ATOM 408 CA ASP A 62 32.868 -7.294 -5.353 1.00 0.00 C ATOM 409 C ASP A 62 31.660 -6.962 -6.230 1.00 0.00 C ATOM 410 O ASP A 62 31.797 -6.350 -7.291 1.00 0.00 O ATOM 411 CB ASP A 62 33.906 -6.152 -5.375 1.00 0.00 C ATOM 412 CG ASP A 62 34.088 -5.536 -3.990 1.00 0.00 C ATOM 413 OD1 ASP A 62 34.315 -6.313 -3.041 1.00 0.00 O ATOM 414 OD2 ASP A 62 33.995 -4.288 -3.910 1.00 0.00 O ATOM 0 H ASP A 62 34.408 -8.401 -6.235 1.00 0.00 H new ATOM 0 HA ASP A 62 32.517 -7.418 -4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.862 -6.534 -5.733 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.587 -5.382 -6.078 1.00 0.00 H new ATOM 419 N TRP A 63 30.469 -7.366 -5.776 1.00 0.00 N ATOM 420 CA TRP A 63 29.231 -7.107 -6.496 1.00 0.00 C ATOM 421 C TRP A 63 28.951 -5.603 -6.549 1.00 0.00 C ATOM 422 O TRP A 63 28.175 -5.147 -7.386 1.00 0.00 O ATOM 423 CB TRP A 63 28.094 -7.867 -5.817 1.00 0.00 C ATOM 424 CG TRP A 63 28.162 -9.345 -6.021 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.645 -10.242 -5.145 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.760 -10.121 -7.187 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.585 -11.514 -5.661 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.041 -11.501 -6.933 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.189 -9.803 -8.440 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.772 -12.503 -7.869 1.00 0.00 C ATOM 431 CZ3 TRP A 63 26.914 -10.811 -9.386 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.208 -12.156 -9.102 1.00 0.00 C ATOM 0 H TRP A 63 30.343 -7.879 -4.903 1.00 0.00 H new ATOM 0 HA TRP A 63 29.318 -7.456 -7.525 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.112 -7.654 -4.748 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.142 -7.499 -6.199 1.00 0.00 H new ATOM 0 HD1 TRP A 63 29.029 -9.996 -4.166 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.899 -12.353 -5.173 1.00 0.00 H new ATOM 0 HE3 TRP A 63 26.960 -8.774 -8.676 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 27.997 -13.535 -7.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.474 -10.548 -10.337 1.00 0.00 H new ATOM 0 HH2 TRP A 63 26.999 -12.921 -9.835 1.00 0.00 H new ATOM 443 N LYS A 64 29.597 -4.836 -5.664 1.00 0.00 N ATOM 444 CA LYS A 64 29.467 -3.389 -5.642 1.00 0.00 C ATOM 445 C LYS A 64 29.849 -2.818 -7.013 1.00 0.00 C ATOM 446 O LYS A 64 29.218 -1.879 -7.490 1.00 0.00 O ATOM 447 CB LYS A 64 30.377 -2.840 -4.537 1.00 0.00 C ATOM 448 CG LYS A 64 30.540 -1.321 -4.678 1.00 0.00 C ATOM 449 CD LYS A 64 31.153 -0.729 -3.395 1.00 0.00 C ATOM 450 CE LYS A 64 32.357 -1.562 -2.924 1.00 0.00 C ATOM 451 NZ LYS A 64 33.360 -1.728 -3.994 1.00 0.00 N ATOM 0 H LYS A 64 30.221 -5.207 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 64 28.438 -3.096 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 64 29.956 -3.077 -3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.353 -3.322 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 64 31.178 -1.094 -5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 64 29.571 -0.861 -4.873 1.00 0.00 H new ATOM 0 HD2 LYS A 64 31.467 0.299 -3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 64 30.399 -0.697 -2.609 1.00 0.00 H new ATOM 0 HE2 LYS A 64 32.820 -1.078 -2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 64 32.014 -2.542 -2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 33.364 -2.717 -4.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 33.122 -1.105 -4.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 34.301 -1.479 -3.629 1.00 0.00 H new ATOM 465 N VAL A 65 30.882 -3.393 -7.645 1.00 0.00 N ATOM 466 CA VAL A 65 31.333 -2.946 -8.956 1.00 0.00 C ATOM 467 C VAL A 65 30.198 -3.108 -9.967 1.00 0.00 C ATOM 468 O VAL A 65 29.886 -2.181 -10.710 1.00 0.00 O ATOM 469 CB VAL A 65 32.563 -3.765 -9.378 1.00 0.00 C ATOM 470 CG1 VAL A 65 32.960 -3.412 -10.814 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.733 -3.456 -8.442 1.00 0.00 C ATOM 0 H VAL A 65 31.418 -4.171 -7.261 1.00 0.00 H new ATOM 0 HA VAL A 65 31.613 -1.893 -8.916 1.00 0.00 H new ATOM 0 HB VAL A 65 32.317 -4.825 -9.321 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.833 -3.997 -11.105 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.132 -3.637 -11.486 1.00 0.00 H new ATOM 0 HG13 VAL A 65 33.199 -2.350 -10.875 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.604 -4.038 -8.744 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.971 -2.394 -8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.459 -3.716 -7.419 1.00 0.00 H new ATOM 481 N ILE A 66 29.583 -4.292 -9.988 1.00 0.00 N ATOM 482 CA ILE A 66 28.491 -4.580 -10.902 1.00 0.00 C ATOM 483 C ILE A 66 27.318 -3.635 -10.617 1.00 0.00 C ATOM 484 O ILE A 66 26.681 -3.141 -11.547 1.00 0.00 O ATOM 485 CB ILE A 66 28.090 -6.056 -10.753 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.248 -6.942 -11.249 1.00 0.00 C ATOM 487 CG2 ILE A 66 26.833 -6.341 -11.582 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.113 -8.358 -10.696 1.00 0.00 C ATOM 0 H ILE A 66 29.830 -5.069 -9.375 1.00 0.00 H new ATOM 0 HA ILE A 66 28.802 -4.415 -11.934 1.00 0.00 H new ATOM 0 HB ILE A 66 27.880 -6.273 -9.706 1.00 0.00 H new ATOM 0 HG12 ILE A 66 29.251 -6.970 -12.339 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.201 -6.513 -10.938 1.00 0.00 H new ATOM 0 HG21 ILE A 66 26.554 -7.389 -11.472 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.016 -5.710 -11.233 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.033 -6.127 -12.632 1.00 0.00 H new ATOM 0 HD11 ILE A 66 29.940 -8.970 -11.057 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.133 -8.327 -9.607 1.00 0.00 H new ATOM 0 HD13 ILE A 66 28.169 -8.790 -11.029 1.00 0.00 H new ATOM 500 N ALA A 67 27.043 -3.376 -9.333 1.00 0.00 N ATOM 501 CA ALA A 67 25.969 -2.474 -8.942 1.00 0.00 C ATOM 502 C ALA A 67 26.244 -1.067 -9.482 1.00 0.00 C ATOM 503 O ALA A 67 25.322 -0.374 -9.902 1.00 0.00 O ATOM 504 CB ALA A 67 25.846 -2.457 -7.418 1.00 0.00 C ATOM 0 H ALA A 67 27.555 -3.783 -8.550 1.00 0.00 H new ATOM 0 HA ALA A 67 25.027 -2.823 -9.365 1.00 0.00 H new ATOM 0 HB1 ALA A 67 25.042 -1.782 -7.125 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.624 -3.462 -7.060 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.784 -2.115 -6.981 1.00 0.00 H new ATOM 510 N ASN A 68 27.518 -0.646 -9.477 1.00 0.00 N ATOM 511 CA ASN A 68 27.896 0.670 -9.982 1.00 0.00 C ATOM 512 C ASN A 68 27.638 0.747 -11.490 1.00 0.00 C ATOM 513 O ASN A 68 27.318 1.816 -12.005 1.00 0.00 O ATOM 514 CB ASN A 68 29.374 0.947 -9.676 1.00 0.00 C ATOM 515 CG ASN A 68 29.633 1.038 -8.174 1.00 0.00 C ATOM 516 OD1 ASN A 68 28.706 1.199 -7.383 1.00 0.00 O ATOM 517 ND2 ASN A 68 30.903 0.936 -7.780 1.00 0.00 N ATOM 0 H ASN A 68 28.299 -1.202 -9.128 1.00 0.00 H new ATOM 0 HA ASN A 68 27.290 1.428 -9.486 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.989 0.155 -10.104 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.676 1.879 -10.154 1.00 0.00 H new ATOM 0 HD21 ASN A 68 31.135 0.991 -6.788 1.00 0.00 H new ATOM 0 HD22 ASN A 68 31.642 0.803 -8.470 1.00 0.00 H new ATOM 524 N TYR A 69 27.771 -0.387 -12.196 1.00 0.00 N ATOM 525 CA TYR A 69 27.543 -0.428 -13.637 1.00 0.00 C ATOM 526 C TYR A 69 26.042 -0.479 -13.928 1.00 0.00 C ATOM 527 O TYR A 69 25.600 0.024 -14.959 1.00 0.00 O ATOM 528 CB TYR A 69 28.250 -1.647 -14.241 1.00 0.00 C ATOM 529 CG TYR A 69 29.730 -1.428 -14.488 1.00 0.00 C ATOM 530 CD1 TYR A 69 30.149 -0.448 -15.407 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.686 -2.208 -13.812 1.00 0.00 C ATOM 532 CE1 TYR A 69 31.518 -0.246 -15.645 1.00 0.00 C ATOM 533 CE2 TYR A 69 32.056 -2.006 -14.053 1.00 0.00 C ATOM 534 CZ TYR A 69 32.471 -1.025 -14.968 1.00 0.00 C ATOM 535 OH TYR A 69 33.801 -0.832 -15.201 1.00 0.00 O ATOM 0 H TYR A 69 28.035 -1.283 -11.787 1.00 0.00 H new ATOM 0 HA TYR A 69 27.953 0.474 -14.091 1.00 0.00 H new ATOM 0 HB2 TYR A 69 28.124 -2.498 -13.572 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.767 -1.907 -15.183 1.00 0.00 H new ATOM 0 HD1 TYR A 69 29.417 0.149 -15.930 1.00 0.00 H new ATOM 0 HD2 TYR A 69 30.367 -2.962 -13.108 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.838 0.508 -16.349 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.790 -2.605 -13.534 1.00 0.00 H new ATOM 0 HH TYR A 69 34.323 -1.452 -14.650 1.00 0.00 H new ATOM 545 N LEU A 70 25.262 -1.081 -13.016 1.00 0.00 N ATOM 546 CA LEU A 70 23.812 -1.170 -13.158 1.00 0.00 C ATOM 547 C LEU A 70 23.145 -0.492 -11.959 1.00 0.00 C ATOM 548 O LEU A 70 22.816 -1.170 -10.985 1.00 0.00 O ATOM 549 CB LEU A 70 23.391 -2.647 -13.231 1.00 0.00 C ATOM 550 CG LEU A 70 23.824 -3.277 -14.565 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.599 -4.790 -14.501 1.00 0.00 C ATOM 552 CD2 LEU A 70 22.999 -2.695 -15.720 1.00 0.00 C ATOM 0 H LEU A 70 25.622 -1.515 -12.166 1.00 0.00 H new ATOM 0 HA LEU A 70 23.500 -0.668 -14.074 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.837 -3.198 -12.403 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.309 -2.727 -13.121 1.00 0.00 H new ATOM 0 HG LEU A 70 24.878 -3.060 -14.736 1.00 0.00 H new ATOM 0 HD11 LEU A 70 23.904 -5.243 -15.444 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.190 -5.212 -13.688 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.543 -4.994 -14.325 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.316 -3.150 -16.659 1.00 0.00 H new ATOM 0 HD22 LEU A 70 21.942 -2.904 -15.554 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.152 -1.617 -15.769 1.00 0.00 H new ATOM 564 N PRO A 71 22.942 0.849 -12.019 1.00 0.00 N ATOM 565 CA PRO A 71 22.314 1.607 -10.947 1.00 0.00 C ATOM 566 C PRO A 71 20.799 1.332 -10.911 1.00 0.00 C ATOM 567 O PRO A 71 19.986 2.240 -11.071 1.00 0.00 O ATOM 568 CB PRO A 71 22.628 3.076 -11.264 1.00 0.00 C ATOM 569 CG PRO A 71 23.049 3.116 -12.737 1.00 0.00 C ATOM 570 CD PRO A 71 23.337 1.671 -13.146 1.00 0.00 C ATOM 0 HA PRO A 71 22.687 1.331 -9.961 1.00 0.00 H new ATOM 0 HB2 PRO A 71 21.756 3.706 -11.091 1.00 0.00 H new ATOM 0 HB3 PRO A 71 23.424 3.451 -10.621 1.00 0.00 H new ATOM 0 HG2 PRO A 71 22.259 3.544 -13.355 1.00 0.00 H new ATOM 0 HG3 PRO A 71 23.932 3.740 -12.871 1.00 0.00 H new ATOM 0 HD2 PRO A 71 22.777 1.400 -14.041 1.00 0.00 H new ATOM 0 HD3 PRO A 71 24.393 1.534 -13.377 1.00 0.00 H new ATOM 578 N ASN A 72 20.438 0.065 -10.698 1.00 0.00 N ATOM 579 CA ASN A 72 19.054 -0.376 -10.639 1.00 0.00 C ATOM 580 C ASN A 72 18.993 -1.611 -9.750 1.00 0.00 C ATOM 581 O ASN A 72 18.181 -1.682 -8.829 1.00 0.00 O ATOM 582 CB ASN A 72 18.552 -0.708 -12.051 1.00 0.00 C ATOM 583 CG ASN A 72 18.412 0.548 -12.904 1.00 0.00 C ATOM 584 OD1 ASN A 72 19.252 0.817 -13.760 1.00 0.00 O ATOM 585 ND2 ASN A 72 17.347 1.317 -12.672 1.00 0.00 N ATOM 0 H ASN A 72 21.111 -0.689 -10.561 1.00 0.00 H new ATOM 0 HA ASN A 72 18.419 0.410 -10.230 1.00 0.00 H new ATOM 0 HB2 ASN A 72 19.244 -1.400 -12.531 1.00 0.00 H new ATOM 0 HB3 ASN A 72 17.589 -1.214 -11.986 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.204 2.168 -13.216 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.675 1.054 -11.951 1.00 0.00 H new ATOM 592 N ARG A 73 19.873 -2.580 -10.034 1.00 0.00 N ATOM 593 CA ARG A 73 19.973 -3.804 -9.259 1.00 0.00 C ATOM 594 C ARG A 73 21.140 -3.659 -8.284 1.00 0.00 C ATOM 595 O ARG A 73 22.293 -3.616 -8.706 1.00 0.00 O ATOM 596 CB ARG A 73 20.201 -4.995 -10.206 1.00 0.00 C ATOM 597 CG ARG A 73 19.150 -5.008 -11.325 1.00 0.00 C ATOM 598 CD ARG A 73 17.743 -5.092 -10.728 1.00 0.00 C ATOM 599 NE ARG A 73 16.770 -5.633 -11.692 1.00 0.00 N ATOM 600 CZ ARG A 73 16.182 -4.893 -12.654 1.00 0.00 C ATOM 601 NH1 ARG A 73 16.753 -3.768 -13.096 1.00 0.00 N ATOM 602 NH2 ARG A 73 15.014 -5.287 -13.172 1.00 0.00 N ATOM 0 H ARG A 73 20.532 -2.528 -10.810 1.00 0.00 H new ATOM 0 HA ARG A 73 19.053 -3.983 -8.702 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.200 -4.936 -10.639 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.152 -5.928 -9.644 1.00 0.00 H new ATOM 0 HG2 ARG A 73 19.242 -4.107 -11.931 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.323 -5.857 -11.987 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.763 -5.723 -9.839 1.00 0.00 H new ATOM 0 HD3 ARG A 73 17.424 -4.100 -10.408 1.00 0.00 H new ATOM 0 HE ARG A 73 16.527 -6.622 -11.629 1.00 0.00 H new ATOM 0 HH11 ARG A 73 17.644 -3.460 -12.705 1.00 0.00 H new ATOM 0 HH12 ARG A 73 16.298 -3.217 -13.824 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.572 -6.144 -12.839 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.565 -4.731 -13.900 1.00 0.00 H new ATOM 616 N THR A 74 20.844 -3.575 -6.981 1.00 0.00 N ATOM 617 CA THR A 74 21.883 -3.415 -5.970 1.00 0.00 C ATOM 618 C THR A 74 22.761 -4.669 -5.916 1.00 0.00 C ATOM 619 O THR A 74 22.438 -5.691 -6.518 1.00 0.00 O ATOM 620 CB THR A 74 21.241 -3.109 -4.604 1.00 0.00 C ATOM 621 OG1 THR A 74 22.238 -2.690 -3.690 1.00 0.00 O ATOM 622 CG2 THR A 74 20.533 -4.347 -4.051 1.00 0.00 C ATOM 0 H THR A 74 19.895 -3.616 -6.608 1.00 0.00 H new ATOM 0 HA THR A 74 22.524 -2.574 -6.234 1.00 0.00 H new ATOM 0 HB THR A 74 20.507 -2.315 -4.738 1.00 0.00 H new ATOM 0 HG1 THR A 74 22.707 -3.474 -3.335 1.00 0.00 H new ATOM 0 HG21 THR A 74 20.086 -4.110 -3.086 1.00 0.00 H new ATOM 0 HG22 THR A 74 19.753 -4.660 -4.745 1.00 0.00 H new ATOM 0 HG23 THR A 74 21.255 -5.154 -3.928 1.00 0.00 H new ATOM 630 N ASP A 75 23.875 -4.573 -5.189 1.00 0.00 N ATOM 631 CA ASP A 75 24.832 -5.663 -5.044 1.00 0.00 C ATOM 632 C ASP A 75 24.138 -6.965 -4.617 1.00 0.00 C ATOM 633 O ASP A 75 24.358 -8.007 -5.229 1.00 0.00 O ATOM 634 CB ASP A 75 25.907 -5.251 -4.024 1.00 0.00 C ATOM 635 CG ASP A 75 25.314 -4.968 -2.639 1.00 0.00 C ATOM 636 OD1 ASP A 75 24.187 -4.413 -2.593 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.999 -5.311 -1.654 1.00 0.00 O ATOM 0 H ASP A 75 24.138 -3.728 -4.681 1.00 0.00 H new ATOM 0 HA ASP A 75 25.301 -5.855 -6.009 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.651 -6.043 -3.944 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.425 -4.362 -4.384 1.00 0.00 H new ATOM 642 N VAL A 76 23.307 -6.906 -3.569 1.00 0.00 N ATOM 643 CA VAL A 76 22.607 -8.084 -3.065 1.00 0.00 C ATOM 644 C VAL A 76 21.713 -8.681 -4.156 1.00 0.00 C ATOM 645 O VAL A 76 21.692 -9.895 -4.345 1.00 0.00 O ATOM 646 CB VAL A 76 21.777 -7.698 -1.829 1.00 0.00 C ATOM 647 CG1 VAL A 76 20.980 -8.912 -1.338 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.707 -7.220 -0.709 1.00 0.00 C ATOM 0 H VAL A 76 23.105 -6.049 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 76 23.337 -8.841 -2.777 1.00 0.00 H new ATOM 0 HB VAL A 76 21.090 -6.897 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.394 -8.633 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.311 -9.252 -2.129 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.667 -9.716 -1.073 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.115 -6.948 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.398 -8.020 -0.444 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.271 -6.352 -1.050 1.00 0.00 H new ATOM 658 N GLN A 77 20.972 -7.825 -4.869 1.00 0.00 N ATOM 659 CA GLN A 77 20.066 -8.269 -5.919 1.00 0.00 C ATOM 660 C GLN A 77 20.860 -8.912 -7.064 1.00 0.00 C ATOM 661 O GLN A 77 20.442 -9.931 -7.610 1.00 0.00 O ATOM 662 CB GLN A 77 19.246 -7.063 -6.403 1.00 0.00 C ATOM 663 CG GLN A 77 18.235 -7.479 -7.481 1.00 0.00 C ATOM 664 CD GLN A 77 17.331 -8.617 -7.013 1.00 0.00 C ATOM 665 OE1 GLN A 77 17.209 -9.632 -7.694 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.695 -8.446 -5.855 1.00 0.00 N ATOM 0 H GLN A 77 20.987 -6.814 -4.731 1.00 0.00 H new ATOM 0 HA GLN A 77 19.382 -9.026 -5.535 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.720 -6.615 -5.560 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.915 -6.301 -6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 77 17.623 -6.619 -7.754 1.00 0.00 H new ATOM 0 HG3 GLN A 77 18.770 -7.788 -8.379 1.00 0.00 H new ATOM 0 HE21 GLN A 77 16.827 -7.586 -5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.076 -9.175 -5.500 1.00 0.00 H new ATOM 675 N CYS A 78 22.007 -8.321 -7.419 1.00 0.00 N ATOM 676 CA CYS A 78 22.857 -8.854 -8.477 1.00 0.00 C ATOM 677 C CYS A 78 23.392 -10.222 -8.060 1.00 0.00 C ATOM 678 O CYS A 78 23.362 -11.167 -8.845 1.00 0.00 O ATOM 679 CB CYS A 78 24.015 -7.890 -8.750 1.00 0.00 C ATOM 680 SG CYS A 78 23.391 -6.445 -9.642 1.00 0.00 S ATOM 0 H CYS A 78 22.364 -7.470 -6.984 1.00 0.00 H new ATOM 0 HA CYS A 78 22.274 -8.965 -9.391 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.476 -7.582 -7.812 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.788 -8.388 -9.336 1.00 0.00 H new ATOM 0 HG CYS A 78 23.055 -5.521 -8.791 1.00 0.00 H new ATOM 686 N GLN A 79 23.878 -10.321 -6.816 1.00 0.00 N ATOM 687 CA GLN A 79 24.407 -11.566 -6.285 1.00 0.00 C ATOM 688 C GLN A 79 23.320 -12.637 -6.304 1.00 0.00 C ATOM 689 O GLN A 79 23.570 -13.766 -6.722 1.00 0.00 O ATOM 690 CB GLN A 79 24.926 -11.329 -4.864 1.00 0.00 C ATOM 691 CG GLN A 79 25.595 -12.601 -4.335 1.00 0.00 C ATOM 692 CD GLN A 79 26.378 -12.319 -3.057 1.00 0.00 C ATOM 693 OE1 GLN A 79 26.122 -11.333 -2.371 1.00 0.00 O ATOM 694 NE2 GLN A 79 27.337 -13.188 -2.737 1.00 0.00 N ATOM 0 H GLN A 79 23.912 -9.541 -6.160 1.00 0.00 H new ATOM 0 HA GLN A 79 25.235 -11.914 -6.903 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.639 -10.504 -4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.103 -11.042 -4.210 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.837 -13.360 -4.141 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.265 -13.006 -5.094 1.00 0.00 H new ATOM 0 HE21 GLN A 79 27.516 -13.994 -3.336 1.00 0.00 H new ATOM 0 HE22 GLN A 79 27.892 -13.047 -1.893 1.00 0.00 H new ATOM 703 N HIS A 80 22.108 -12.276 -5.858 1.00 0.00 N ATOM 704 CA HIS A 80 20.981 -13.195 -5.859 1.00 0.00 C ATOM 705 C HIS A 80 20.718 -13.673 -7.278 1.00 0.00 C ATOM 706 O HIS A 80 20.463 -14.855 -7.492 1.00 0.00 O ATOM 707 CB HIS A 80 19.742 -12.497 -5.294 1.00 0.00 C ATOM 708 CG HIS A 80 19.686 -12.527 -3.792 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.610 -12.020 -3.078 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.549 -13.005 -2.836 1.00 0.00 C ATOM 711 CE1 HIS A 80 18.880 -12.218 -1.775 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.051 -12.816 -1.557 1.00 0.00 N ATOM 0 H HIS A 80 21.892 -11.349 -5.492 1.00 0.00 H new ATOM 0 HA HIS A 80 21.212 -14.056 -5.232 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.729 -11.461 -5.632 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.848 -12.974 -5.695 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.499 -13.471 -3.054 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.211 -11.921 -0.981 1.00 0.00 H new ATOM 0 HE2 HIS A 80 20.477 -13.072 -0.666 1.00 0.00 H new ATOM 720 N ARG A 81 20.788 -12.755 -8.251 1.00 0.00 N ATOM 721 CA ARG A 81 20.570 -13.093 -9.648 1.00 0.00 C ATOM 722 C ARG A 81 21.822 -13.777 -10.225 1.00 0.00 C ATOM 723 O ARG A 81 22.210 -13.519 -11.360 1.00 0.00 O ATOM 724 CB ARG A 81 20.213 -11.809 -10.420 1.00 0.00 C ATOM 725 CG ARG A 81 19.640 -12.135 -11.814 1.00 0.00 C ATOM 726 CD ARG A 81 18.229 -12.717 -11.702 1.00 0.00 C ATOM 727 NE ARG A 81 17.621 -12.831 -13.033 1.00 0.00 N ATOM 728 CZ ARG A 81 16.353 -13.217 -13.236 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.603 -13.636 -12.208 1.00 0.00 N ATOM 730 NH2 ARG A 81 15.836 -13.183 -14.470 1.00 0.00 N ATOM 0 H ARG A 81 20.995 -11.770 -8.086 1.00 0.00 H new ATOM 0 HA ARG A 81 19.743 -13.796 -9.744 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.485 -11.231 -9.851 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.102 -11.187 -10.526 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.618 -11.231 -12.423 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.292 -12.846 -12.322 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.269 -13.697 -11.227 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.614 -12.080 -11.067 1.00 0.00 H new ATOM 0 HE ARG A 81 18.193 -12.605 -13.846 1.00 0.00 H new ATOM 0 HH11 ARG A 81 15.996 -13.662 -11.267 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.639 -13.929 -12.366 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.406 -12.864 -15.253 1.00 0.00 H new ATOM 0 HH22 ARG A 81 14.872 -13.476 -14.627 1.00 0.00 H new ATOM 744 N TRP A 82 22.447 -14.666 -9.442 1.00 0.00 N ATOM 745 CA TRP A 82 23.589 -15.424 -9.905 1.00 0.00 C ATOM 746 C TRP A 82 23.884 -16.567 -8.947 1.00 0.00 C ATOM 747 O TRP A 82 23.685 -17.730 -9.289 1.00 0.00 O ATOM 748 CB TRP A 82 24.821 -14.530 -10.086 1.00 0.00 C ATOM 749 CG TRP A 82 25.857 -15.180 -10.936 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.826 -15.999 -10.501 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.997 -15.147 -12.386 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.550 -16.504 -11.554 1.00 0.00 N ATOM 753 CE2 TRP A 82 27.072 -16.013 -12.756 1.00 0.00 C ATOM 754 CE3 TRP A 82 25.313 -14.492 -13.437 1.00 0.00 C ATOM 755 CZ2 TRP A 82 27.432 -16.229 -14.088 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.684 -14.701 -14.781 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.738 -15.571 -15.103 1.00 0.00 C ATOM 0 H TRP A 82 22.170 -14.870 -8.482 1.00 0.00 H new ATOM 0 HA TRP A 82 23.344 -15.841 -10.882 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.521 -13.585 -10.538 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.246 -14.296 -9.110 1.00 0.00 H new ATOM 0 HD1 TRP A 82 27.012 -16.230 -9.463 1.00 0.00 H new ATOM 0 HE1 TRP A 82 28.332 -17.152 -11.462 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.497 -13.824 -13.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 28.242 -16.901 -14.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 25.153 -14.188 -15.569 1.00 0.00 H new ATOM 0 HH2 TRP A 82 27.011 -15.730 -16.136 1.00 0.00 H new ATOM 768 N GLN A 83 24.356 -16.242 -7.746 1.00 0.00 N ATOM 769 CA GLN A 83 24.696 -17.247 -6.755 1.00 0.00 C ATOM 770 C GLN A 83 23.458 -18.067 -6.378 1.00 0.00 C ATOM 771 O GLN A 83 23.589 -19.123 -5.762 1.00 0.00 O ATOM 772 CB GLN A 83 25.290 -16.558 -5.521 1.00 0.00 C ATOM 773 CG GLN A 83 26.599 -15.839 -5.893 1.00 0.00 C ATOM 774 CD GLN A 83 27.671 -16.816 -6.373 1.00 0.00 C ATOM 775 OE1 GLN A 83 28.305 -16.587 -7.398 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.876 -17.904 -5.630 1.00 0.00 N ATOM 0 H GLN A 83 24.511 -15.282 -7.439 1.00 0.00 H new ATOM 0 HA GLN A 83 25.435 -17.932 -7.171 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.575 -15.842 -5.116 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.480 -17.295 -4.740 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.401 -15.106 -6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.970 -15.290 -5.027 1.00 0.00 H new ATOM 0 HE21 GLN A 83 27.326 -18.055 -4.784 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.583 -18.585 -5.907 1.00 0.00 H new ATOM 785 N LYS A 84 22.258 -17.582 -6.749 1.00 0.00 N ATOM 786 CA LYS A 84 21.015 -18.273 -6.449 1.00 0.00 C ATOM 787 C LYS A 84 20.286 -18.686 -7.740 1.00 0.00 C ATOM 788 O LYS A 84 19.118 -19.077 -7.673 1.00 0.00 O ATOM 789 CB LYS A 84 20.128 -17.350 -5.604 1.00 0.00 C ATOM 790 CG LYS A 84 19.281 -18.189 -4.638 1.00 0.00 C ATOM 791 CD LYS A 84 18.062 -17.384 -4.151 1.00 0.00 C ATOM 792 CE LYS A 84 17.096 -17.073 -5.311 1.00 0.00 C ATOM 793 NZ LYS A 84 16.879 -18.247 -6.179 1.00 0.00 N ATOM 0 H LYS A 84 22.136 -16.708 -7.260 1.00 0.00 H new ATOM 0 HA LYS A 84 21.237 -19.184 -5.892 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.746 -16.648 -5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.480 -16.759 -6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.948 -19.100 -5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 84 19.887 -18.494 -3.785 1.00 0.00 H new ATOM 0 HD2 LYS A 84 17.537 -17.946 -3.379 1.00 0.00 H new ATOM 0 HD3 LYS A 84 18.397 -16.453 -3.695 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.140 -16.739 -4.907 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.496 -16.251 -5.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 16.068 -18.070 -6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 17.730 -18.417 -6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 16.686 -19.083 -5.591 1.00 0.00 H new ATOM 807 N VAL A 85 20.953 -18.607 -8.915 1.00 0.00 N ATOM 808 CA VAL A 85 20.321 -19.002 -10.177 1.00 0.00 C ATOM 809 C VAL A 85 21.364 -19.145 -11.320 1.00 0.00 C ATOM 810 O VAL A 85 21.661 -20.270 -11.716 1.00 0.00 O ATOM 811 CB VAL A 85 19.157 -18.033 -10.518 1.00 0.00 C ATOM 812 CG1 VAL A 85 19.509 -16.585 -10.145 1.00 0.00 C ATOM 813 CG2 VAL A 85 18.797 -18.124 -12.005 1.00 0.00 C ATOM 0 H VAL A 85 21.914 -18.277 -9.007 1.00 0.00 H new ATOM 0 HA VAL A 85 19.885 -19.994 -10.061 1.00 0.00 H new ATOM 0 HB VAL A 85 18.292 -18.334 -9.928 1.00 0.00 H new ATOM 0 HG11 VAL A 85 18.674 -15.931 -10.396 1.00 0.00 H new ATOM 0 HG12 VAL A 85 19.709 -16.523 -9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 85 20.394 -16.272 -10.698 1.00 0.00 H new ATOM 0 HG21 VAL A 85 17.979 -17.437 -12.224 1.00 0.00 H new ATOM 0 HG22 VAL A 85 19.666 -17.857 -12.607 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.490 -19.142 -12.243 1.00 0.00 H new ATOM 823 N LEU A 86 21.918 -18.036 -11.862 1.00 0.00 N ATOM 824 CA LEU A 86 22.890 -18.131 -12.963 1.00 0.00 C ATOM 825 C LEU A 86 24.209 -18.681 -12.434 1.00 0.00 C ATOM 826 O LEU A 86 24.904 -18.007 -11.685 1.00 0.00 O ATOM 827 CB LEU A 86 23.153 -16.751 -13.620 1.00 0.00 C ATOM 828 CG LEU A 86 22.018 -16.277 -14.553 1.00 0.00 C ATOM 829 CD1 LEU A 86 21.340 -17.453 -15.248 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.993 -15.461 -13.763 1.00 0.00 C ATOM 0 H LEU A 86 21.711 -17.085 -11.559 1.00 0.00 H new ATOM 0 HA LEU A 86 22.470 -18.797 -13.717 1.00 0.00 H new ATOM 0 HB2 LEU A 86 23.300 -16.008 -12.836 1.00 0.00 H new ATOM 0 HB3 LEU A 86 24.081 -16.801 -14.189 1.00 0.00 H new ATOM 0 HG LEU A 86 22.458 -15.645 -15.324 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.546 -17.084 -15.897 1.00 0.00 H new ATOM 0 HD12 LEU A 86 22.074 -17.995 -15.845 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.915 -18.122 -14.500 1.00 0.00 H new ATOM 0 HD21 LEU A 86 20.197 -15.132 -14.431 1.00 0.00 H new ATOM 0 HD22 LEU A 86 20.570 -16.078 -12.970 1.00 0.00 H new ATOM 0 HD23 LEU A 86 21.481 -14.591 -13.324 1.00 0.00 H new ATOM 842 N ASN A 87 24.561 -19.903 -12.836 1.00 0.00 N ATOM 843 CA ASN A 87 25.810 -20.517 -12.422 1.00 0.00 C ATOM 844 C ASN A 87 26.231 -21.562 -13.456 1.00 0.00 C ATOM 845 O ASN A 87 25.889 -22.727 -13.320 1.00 0.00 O ATOM 846 CB ASN A 87 25.628 -21.159 -11.041 1.00 0.00 C ATOM 847 CG ASN A 87 26.944 -21.742 -10.533 1.00 0.00 C ATOM 848 OD1 ASN A 87 27.748 -21.031 -9.936 1.00 0.00 O ATOM 849 ND2 ASN A 87 27.166 -23.036 -10.769 1.00 0.00 N ATOM 0 H ASN A 87 23.991 -20.484 -13.451 1.00 0.00 H new ATOM 0 HA ASN A 87 26.593 -19.761 -12.354 1.00 0.00 H new ATOM 0 HB2 ASN A 87 25.259 -20.415 -10.335 1.00 0.00 H new ATOM 0 HB3 ASN A 87 24.875 -21.945 -11.098 1.00 0.00 H new ATOM 0 HD21 ASN A 87 28.031 -23.472 -10.449 1.00 0.00 H new ATOM 0 HD22 ASN A 87 26.471 -23.590 -11.269 1.00 0.00 H new ATOM 856 N PRO A 88 26.975 -21.148 -14.497 1.00 0.00 N ATOM 857 CA PRO A 88 27.441 -22.052 -15.524 1.00 0.00 C ATOM 858 C PRO A 88 28.542 -22.955 -14.963 1.00 0.00 C ATOM 859 O PRO A 88 29.682 -22.519 -14.812 1.00 0.00 O ATOM 860 CB PRO A 88 27.968 -21.155 -16.650 1.00 0.00 C ATOM 861 CG PRO A 88 28.047 -19.732 -16.079 1.00 0.00 C ATOM 862 CD PRO A 88 27.378 -19.773 -14.704 1.00 0.00 C ATOM 0 HA PRO A 88 26.653 -22.712 -15.888 1.00 0.00 H new ATOM 0 HB2 PRO A 88 28.948 -21.492 -16.987 1.00 0.00 H new ATOM 0 HB3 PRO A 88 27.305 -21.189 -17.515 1.00 0.00 H new ATOM 0 HG2 PRO A 88 29.084 -19.405 -15.996 1.00 0.00 H new ATOM 0 HG3 PRO A 88 27.541 -19.023 -16.735 1.00 0.00 H new ATOM 0 HD2 PRO A 88 28.067 -19.447 -13.925 1.00 0.00 H new ATOM 0 HD3 PRO A 88 26.518 -19.105 -14.669 1.00 0.00 H new ATOM 870 N GLU A 89 28.200 -24.215 -14.654 1.00 0.00 N ATOM 871 CA GLU A 89 29.165 -25.171 -14.122 1.00 0.00 C ATOM 872 C GLU A 89 30.325 -25.334 -15.103 1.00 0.00 C ATOM 873 O GLU A 89 31.487 -25.290 -14.709 1.00 0.00 O ATOM 874 CB GLU A 89 28.481 -26.526 -13.881 1.00 0.00 C ATOM 875 CG GLU A 89 27.584 -26.465 -12.634 1.00 0.00 C ATOM 876 CD GLU A 89 26.296 -25.688 -12.891 1.00 0.00 C ATOM 877 OE1 GLU A 89 25.884 -25.633 -14.074 1.00 0.00 O ATOM 878 OE2 GLU A 89 25.745 -25.164 -11.897 1.00 0.00 O ATOM 0 H GLU A 89 27.258 -24.590 -14.766 1.00 0.00 H new ATOM 0 HA GLU A 89 29.553 -24.799 -13.173 1.00 0.00 H new ATOM 0 HB2 GLU A 89 27.885 -26.798 -14.752 1.00 0.00 H new ATOM 0 HB3 GLU A 89 29.235 -27.303 -13.756 1.00 0.00 H new ATOM 0 HG2 GLU A 89 27.338 -27.478 -12.315 1.00 0.00 H new ATOM 0 HG3 GLU A 89 28.132 -25.997 -11.816 1.00 0.00 H new HETATM 885 N NH2 A 90 30.005 -25.525 -16.383 1.00 0.00 N TER 888 NH2 A 90