USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 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 Set 1.1: A 80 HIS : no HD1:sc= -0.0522 X(o=-0.052,f=0) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0527) USER MOD Set 2.1: A 79 GLN : amide:sc= 0.0683 K(o=-0.34,f=-1.8) USER MOD Set 2.2: A 83 GLN : amide:sc= -0.41 X(o=-0.34,f=-0.53) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 53:sc= 0.32 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 0.214 (180deg=0.0208) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 134:sc= 1.19 (180deg=-1.8!) USER MOD Single : A 57 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.18) USER MOD Single : A 58 ASN : amide:sc= -0.0621 K(o=-0.062,f=-5.1!) USER MOD Single : A 60 THR OG1 : rot 180:sc=0.000548 USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 1.2 (180deg=0.836) USER MOD Single : A 68 ASN : amide:sc= -0.0848 K(o=-0.085,f=-1.2) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.18) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00266 USER MOD Single : A 77 GLN : amide:sc= 0.19 K(o=0.19,f=-3.8!) USER MOD Single : A 78 CYS SG : rot 70:sc= 0.526 USER MOD Single : A 87 ASN : amide:sc= 0.0267 X(o=0.027,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 38 6.127 -5.294 -9.441 1.00 0.00 N ATOM 2 CA LEU A 38 4.869 -6.061 -9.380 1.00 0.00 C ATOM 3 C LEU A 38 5.160 -7.503 -8.970 1.00 0.00 C ATOM 4 O LEU A 38 4.958 -7.869 -7.814 1.00 0.00 O ATOM 5 CB LEU A 38 4.138 -6.020 -10.732 1.00 0.00 C ATOM 6 CG LEU A 38 3.547 -4.623 -10.985 1.00 0.00 C ATOM 7 CD1 LEU A 38 3.221 -4.473 -12.473 1.00 0.00 C ATOM 8 CD2 LEU A 38 2.264 -4.436 -10.167 1.00 0.00 C ATOM 0 HA LEU A 38 4.218 -5.606 -8.633 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.830 -6.279 -11.534 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.343 -6.765 -10.744 1.00 0.00 H new ATOM 0 HG LEU A 38 4.275 -3.870 -10.685 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.802 -3.484 -12.656 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.132 -4.595 -13.059 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.497 -5.233 -12.765 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.855 -3.443 -10.354 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.533 -5.191 -10.458 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.490 -4.541 -9.106 1.00 0.00 H new ATOM 22 N GLY A 39 5.641 -8.319 -9.918 1.00 0.00 N ATOM 23 CA GLY A 39 5.967 -9.711 -9.650 1.00 0.00 C ATOM 24 C GLY A 39 7.315 -9.803 -8.943 1.00 0.00 C ATOM 25 O GLY A 39 8.279 -10.311 -9.512 1.00 0.00 O ATOM 0 H GLY A 39 5.811 -8.029 -10.881 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.191 -10.162 -9.032 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.998 -10.272 -10.584 1.00 0.00 H new ATOM 29 N LYS A 40 7.373 -9.305 -7.697 1.00 0.00 N ATOM 30 CA LYS A 40 8.598 -9.310 -6.906 1.00 0.00 C ATOM 31 C LYS A 40 9.724 -8.641 -7.705 1.00 0.00 C ATOM 32 O LYS A 40 9.481 -7.664 -8.420 1.00 0.00 O ATOM 33 CB LYS A 40 8.958 -10.755 -6.517 1.00 0.00 C ATOM 34 CG LYS A 40 7.742 -11.443 -5.880 1.00 0.00 C ATOM 35 CD LYS A 40 8.169 -12.757 -5.214 1.00 0.00 C ATOM 36 CE LYS A 40 8.662 -13.750 -6.274 1.00 0.00 C ATOM 37 NZ LYS A 40 8.898 -15.081 -5.683 1.00 0.00 N ATOM 0 H LYS A 40 6.573 -8.891 -7.219 1.00 0.00 H new ATOM 0 HA LYS A 40 8.453 -8.743 -5.986 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.280 -11.309 -7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.794 -10.755 -5.818 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.286 -10.783 -5.142 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.986 -11.640 -6.640 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.959 -12.566 -4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.330 -13.185 -4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.926 -13.829 -7.074 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.583 -13.380 -6.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.231 -15.734 -6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.618 -15.006 -4.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.012 -15.442 -5.275 1.00 0.00 H new ATOM 51 N THR A 41 10.950 -9.164 -7.589 1.00 0.00 N ATOM 52 CA THR A 41 12.089 -8.632 -8.314 1.00 0.00 C ATOM 53 C THR A 41 12.042 -9.130 -9.757 1.00 0.00 C ATOM 54 O THR A 41 12.778 -10.045 -10.126 1.00 0.00 O ATOM 55 CB THR A 41 13.384 -9.077 -7.621 1.00 0.00 C ATOM 56 OG1 THR A 41 13.356 -10.475 -7.424 1.00 0.00 O ATOM 57 CG2 THR A 41 13.516 -8.376 -6.267 1.00 0.00 C ATOM 0 H THR A 41 11.170 -9.962 -6.993 1.00 0.00 H new ATOM 0 HA THR A 41 12.058 -7.542 -8.321 1.00 0.00 H new ATOM 0 HB THR A 41 14.235 -8.812 -8.248 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.159 -10.921 -8.274 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.437 -8.696 -5.780 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.541 -7.297 -6.417 1.00 0.00 H new ATOM 0 HG23 THR A 41 12.664 -8.635 -5.638 1.00 0.00 H new ATOM 65 N ARG A 42 11.168 -8.530 -10.571 1.00 0.00 N ATOM 66 CA ARG A 42 11.027 -8.910 -11.966 1.00 0.00 C ATOM 67 C ARG A 42 12.184 -8.320 -12.772 1.00 0.00 C ATOM 68 O ARG A 42 12.321 -7.100 -12.870 1.00 0.00 O ATOM 69 CB ARG A 42 9.672 -8.417 -12.492 1.00 0.00 C ATOM 70 CG ARG A 42 9.073 -9.431 -13.477 1.00 0.00 C ATOM 71 CD ARG A 42 9.991 -9.600 -14.693 1.00 0.00 C ATOM 72 NE ARG A 42 9.293 -10.281 -15.793 1.00 0.00 N ATOM 73 CZ ARG A 42 8.473 -9.649 -16.654 1.00 0.00 C ATOM 74 NH1 ARG A 42 8.220 -8.340 -16.514 1.00 0.00 N ATOM 75 NH2 ARG A 42 7.905 -10.334 -17.656 1.00 0.00 N ATOM 0 H ARG A 42 10.547 -7.775 -10.278 1.00 0.00 H new ATOM 0 HA ARG A 42 11.059 -9.995 -12.067 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.987 -8.263 -11.659 1.00 0.00 H new ATOM 0 HB3 ARG A 42 9.796 -7.453 -12.985 1.00 0.00 H new ATOM 0 HG2 ARG A 42 8.935 -10.392 -12.981 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.088 -9.095 -13.801 1.00 0.00 H new ATOM 0 HD2 ARG A 42 10.339 -8.623 -15.029 1.00 0.00 H new ATOM 0 HD3 ARG A 42 10.874 -10.172 -14.409 1.00 0.00 H new ATOM 0 HE ARG A 42 9.437 -11.284 -15.910 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.650 -7.816 -15.752 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.598 -7.868 -17.170 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.094 -11.330 -17.764 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.283 -9.859 -18.310 1.00 0.00 H new ATOM 89 N TRP A 43 13.011 -9.198 -13.339 1.00 0.00 N ATOM 90 CA TRP A 43 14.168 -8.796 -14.130 1.00 0.00 C ATOM 91 C TRP A 43 13.818 -8.802 -15.620 1.00 0.00 C ATOM 92 O TRP A 43 12.730 -9.232 -16.005 1.00 0.00 O ATOM 93 CB TRP A 43 15.328 -9.753 -13.835 1.00 0.00 C ATOM 94 CG TRP A 43 16.238 -9.294 -12.741 1.00 0.00 C ATOM 95 CD1 TRP A 43 15.910 -9.184 -11.445 1.00 0.00 C ATOM 96 CD2 TRP A 43 17.626 -8.859 -12.827 1.00 0.00 C ATOM 97 NE1 TRP A 43 16.967 -8.713 -10.707 1.00 0.00 N ATOM 98 CE2 TRP A 43 18.068 -8.491 -11.516 1.00 0.00 C ATOM 99 CE3 TRP A 43 18.562 -8.728 -13.877 1.00 0.00 C ATOM 100 CZ2 TRP A 43 19.360 -8.021 -11.265 1.00 0.00 C ATOM 101 CZ3 TRP A 43 19.864 -8.247 -13.631 1.00 0.00 C ATOM 102 CH2 TRP A 43 20.262 -7.895 -12.327 1.00 0.00 C ATOM 0 H TRP A 43 12.895 -10.208 -13.261 1.00 0.00 H new ATOM 0 HA TRP A 43 14.465 -7.782 -13.863 1.00 0.00 H new ATOM 0 HB2 TRP A 43 14.921 -10.728 -13.568 1.00 0.00 H new ATOM 0 HB3 TRP A 43 15.912 -9.889 -14.745 1.00 0.00 H new ATOM 0 HD1 TRP A 43 14.942 -9.433 -11.036 1.00 0.00 H new ATOM 0 HE1 TRP A 43 16.944 -8.549 -9.701 1.00 0.00 H new ATOM 0 HE3 TRP A 43 18.276 -9.000 -14.882 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 19.659 -7.758 -10.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 20.562 -8.148 -14.449 1.00 0.00 H new ATOM 0 HH2 TRP A 43 21.262 -7.528 -12.147 1.00 0.00 H new ATOM 113 N THR A 44 14.751 -8.320 -16.452 1.00 0.00 N ATOM 114 CA THR A 44 14.564 -8.259 -17.896 1.00 0.00 C ATOM 115 C THR A 44 15.769 -8.901 -18.584 1.00 0.00 C ATOM 116 O THR A 44 16.883 -8.826 -18.072 1.00 0.00 O ATOM 117 CB THR A 44 14.400 -6.792 -18.319 1.00 0.00 C ATOM 118 OG1 THR A 44 13.449 -6.166 -17.482 1.00 0.00 O ATOM 119 CG2 THR A 44 13.922 -6.712 -19.770 1.00 0.00 C ATOM 0 H THR A 44 15.653 -7.963 -16.137 1.00 0.00 H new ATOM 0 HA THR A 44 13.668 -8.805 -18.190 1.00 0.00 H new ATOM 0 HB THR A 44 15.362 -6.288 -18.231 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.344 -5.229 -17.749 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.809 -5.667 -20.059 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.653 -7.192 -20.421 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.963 -7.220 -19.866 1.00 0.00 H new ATOM 127 N ARG A 45 15.538 -9.536 -19.745 1.00 0.00 N ATOM 128 CA ARG A 45 16.594 -10.216 -20.489 1.00 0.00 C ATOM 129 C ARG A 45 17.783 -9.283 -20.724 1.00 0.00 C ATOM 130 O ARG A 45 18.926 -9.702 -20.596 1.00 0.00 O ATOM 131 CB ARG A 45 16.042 -10.717 -21.829 1.00 0.00 C ATOM 132 CG ARG A 45 16.906 -11.879 -22.338 1.00 0.00 C ATOM 133 CD ARG A 45 16.714 -12.050 -23.848 1.00 0.00 C ATOM 134 NE ARG A 45 17.698 -11.254 -24.598 1.00 0.00 N ATOM 135 CZ ARG A 45 17.625 -11.050 -25.925 1.00 0.00 C ATOM 136 NH1 ARG A 45 16.603 -11.553 -26.633 1.00 0.00 N ATOM 137 NH2 ARG A 45 18.578 -10.343 -26.537 1.00 0.00 N ATOM 0 H ARG A 45 14.620 -9.589 -20.186 1.00 0.00 H new ATOM 0 HA ARG A 45 16.941 -11.066 -19.901 1.00 0.00 H new ATOM 0 HB2 ARG A 45 15.009 -11.044 -21.709 1.00 0.00 H new ATOM 0 HB3 ARG A 45 16.038 -9.907 -22.558 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.956 -11.687 -22.116 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.634 -12.799 -21.822 1.00 0.00 H new ATOM 0 HD2 ARG A 45 16.814 -13.102 -24.114 1.00 0.00 H new ATOM 0 HD3 ARG A 45 15.705 -11.745 -24.127 1.00 0.00 H new ATOM 0 HE ARG A 45 18.475 -10.836 -24.086 1.00 0.00 H new ATOM 0 HH11 ARG A 45 15.876 -12.094 -26.165 1.00 0.00 H new ATOM 0 HH12 ARG A 45 16.553 -11.395 -27.639 1.00 0.00 H new ATOM 0 HH21 ARG A 45 19.355 -9.961 -25.998 1.00 0.00 H new ATOM 0 HH22 ARG A 45 18.529 -10.185 -27.543 1.00 0.00 H new ATOM 151 N GLU A 46 17.508 -8.020 -21.071 1.00 0.00 N ATOM 152 CA GLU A 46 18.557 -7.041 -21.329 1.00 0.00 C ATOM 153 C GLU A 46 19.435 -6.880 -20.084 1.00 0.00 C ATOM 154 O GLU A 46 20.661 -6.918 -20.174 1.00 0.00 O ATOM 155 CB GLU A 46 17.911 -5.703 -21.726 1.00 0.00 C ATOM 156 CG GLU A 46 18.776 -4.987 -22.771 1.00 0.00 C ATOM 157 CD GLU A 46 20.136 -4.600 -22.203 1.00 0.00 C ATOM 158 OE1 GLU A 46 20.146 -3.878 -21.182 1.00 0.00 O ATOM 159 OE2 GLU A 46 21.146 -5.026 -22.799 1.00 0.00 O ATOM 0 H GLU A 46 16.561 -7.656 -21.179 1.00 0.00 H new ATOM 0 HA GLU A 46 19.191 -7.381 -22.148 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.913 -5.878 -22.127 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.794 -5.072 -20.845 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.914 -5.635 -23.636 1.00 0.00 H new ATOM 0 HG3 GLU A 46 18.260 -4.093 -23.121 1.00 0.00 H new ATOM 166 N GLU A 47 18.800 -6.703 -18.920 1.00 0.00 N ATOM 167 CA GLU A 47 19.517 -6.531 -17.668 1.00 0.00 C ATOM 168 C GLU A 47 20.313 -7.796 -17.347 1.00 0.00 C ATOM 169 O GLU A 47 21.471 -7.714 -16.947 1.00 0.00 O ATOM 170 CB GLU A 47 18.518 -6.211 -16.554 1.00 0.00 C ATOM 171 CG GLU A 47 19.185 -5.338 -15.490 1.00 0.00 C ATOM 172 CD GLU A 47 18.188 -4.965 -14.402 1.00 0.00 C ATOM 173 OE1 GLU A 47 17.580 -5.902 -13.844 1.00 0.00 O ATOM 174 OE2 GLU A 47 18.049 -3.751 -14.147 1.00 0.00 O ATOM 0 H GLU A 47 17.785 -6.676 -18.827 1.00 0.00 H new ATOM 0 HA GLU A 47 20.220 -5.703 -17.754 1.00 0.00 H new ATOM 0 HB2 GLU A 47 17.651 -5.696 -16.968 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.155 -7.135 -16.103 1.00 0.00 H new ATOM 0 HG2 GLU A 47 20.028 -5.871 -15.051 1.00 0.00 H new ATOM 0 HG3 GLU A 47 19.584 -4.434 -15.951 1.00 0.00 H new ATOM 181 N ASP A 48 19.692 -8.969 -17.532 1.00 0.00 N ATOM 182 CA ASP A 48 20.356 -10.243 -17.285 1.00 0.00 C ATOM 183 C ASP A 48 21.566 -10.377 -18.206 1.00 0.00 C ATOM 184 O ASP A 48 22.603 -10.887 -17.793 1.00 0.00 O ATOM 185 CB ASP A 48 19.372 -11.394 -17.519 1.00 0.00 C ATOM 186 CG ASP A 48 18.414 -11.546 -16.346 1.00 0.00 C ATOM 187 OD1 ASP A 48 18.919 -11.659 -15.210 1.00 0.00 O ATOM 188 OD2 ASP A 48 17.190 -11.554 -16.600 1.00 0.00 O ATOM 0 H ASP A 48 18.728 -9.055 -17.853 1.00 0.00 H new ATOM 0 HA ASP A 48 20.697 -10.282 -16.250 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.806 -11.212 -18.433 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.923 -12.323 -17.665 1.00 0.00 H new ATOM 193 N GLU A 49 21.431 -9.915 -19.453 1.00 0.00 N ATOM 194 CA GLU A 49 22.515 -9.965 -20.417 1.00 0.00 C ATOM 195 C GLU A 49 23.658 -9.072 -19.950 1.00 0.00 C ATOM 196 O GLU A 49 24.818 -9.462 -20.034 1.00 0.00 O ATOM 197 CB GLU A 49 22.008 -9.517 -21.793 1.00 0.00 C ATOM 198 CG GLU A 49 21.651 -10.740 -22.640 1.00 0.00 C ATOM 199 CD GLU A 49 21.513 -10.354 -24.104 1.00 0.00 C ATOM 200 OE1 GLU A 49 22.576 -10.224 -24.753 1.00 0.00 O ATOM 201 OE2 GLU A 49 20.353 -10.194 -24.544 1.00 0.00 O ATOM 0 H GLU A 49 20.571 -9.501 -19.813 1.00 0.00 H new ATOM 0 HA GLU A 49 22.882 -10.988 -20.499 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.134 -8.876 -21.677 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.772 -8.925 -22.297 1.00 0.00 H new ATOM 0 HG2 GLU A 49 22.422 -11.503 -22.530 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.718 -11.176 -22.284 1.00 0.00 H new ATOM 208 N LYS A 50 23.331 -7.873 -19.457 1.00 0.00 N ATOM 209 CA LYS A 50 24.337 -6.945 -18.964 1.00 0.00 C ATOM 210 C LYS A 50 25.058 -7.569 -17.769 1.00 0.00 C ATOM 211 O LYS A 50 26.285 -7.554 -17.708 1.00 0.00 O ATOM 212 CB LYS A 50 23.668 -5.622 -18.570 1.00 0.00 C ATOM 213 CG LYS A 50 23.149 -4.899 -19.819 1.00 0.00 C ATOM 214 CD LYS A 50 24.259 -4.020 -20.409 1.00 0.00 C ATOM 215 CE LYS A 50 23.836 -3.501 -21.788 1.00 0.00 C ATOM 216 NZ LYS A 50 22.587 -2.723 -21.709 1.00 0.00 N ATOM 0 H LYS A 50 22.373 -7.528 -19.391 1.00 0.00 H new ATOM 0 HA LYS A 50 25.069 -6.740 -19.745 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.844 -5.813 -17.883 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.381 -4.988 -18.044 1.00 0.00 H new ATOM 0 HG2 LYS A 50 22.816 -5.626 -20.559 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.285 -4.286 -19.563 1.00 0.00 H new ATOM 0 HD2 LYS A 50 24.464 -3.182 -19.743 1.00 0.00 H new ATOM 0 HD3 LYS A 50 25.182 -4.593 -20.494 1.00 0.00 H new ATOM 0 HE2 LYS A 50 24.629 -2.879 -22.203 1.00 0.00 H new ATOM 0 HE3 LYS A 50 23.701 -4.341 -22.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.264 -2.487 -22.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 21.857 -3.286 -21.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 22.757 -1.847 -21.176 1.00 0.00 H new ATOM 230 N LEU A 51 24.287 -8.123 -16.823 1.00 0.00 N ATOM 231 CA LEU A 51 24.844 -8.763 -15.641 1.00 0.00 C ATOM 232 C LEU A 51 25.762 -9.910 -16.061 1.00 0.00 C ATOM 233 O LEU A 51 26.871 -10.035 -15.550 1.00 0.00 O ATOM 234 CB LEU A 51 23.692 -9.268 -14.757 1.00 0.00 C ATOM 235 CG LEU A 51 24.233 -9.983 -13.505 1.00 0.00 C ATOM 236 CD1 LEU A 51 25.068 -9.016 -12.663 1.00 0.00 C ATOM 237 CD2 LEU A 51 23.060 -10.492 -12.667 1.00 0.00 C ATOM 0 H LEU A 51 23.268 -8.136 -16.862 1.00 0.00 H new ATOM 0 HA LEU A 51 25.437 -8.049 -15.069 1.00 0.00 H new ATOM 0 HB2 LEU A 51 23.063 -8.429 -14.458 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.063 -9.951 -15.328 1.00 0.00 H new ATOM 0 HG LEU A 51 24.860 -10.818 -13.817 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.445 -9.534 -11.781 1.00 0.00 H new ATOM 0 HD12 LEU A 51 25.907 -8.650 -13.255 1.00 0.00 H new ATOM 0 HD13 LEU A 51 24.448 -8.175 -12.353 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.440 -10.999 -11.780 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.436 -9.651 -12.365 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.467 -11.190 -13.258 1.00 0.00 H new ATOM 249 N LYS A 52 25.295 -10.744 -16.996 1.00 0.00 N ATOM 250 CA LYS A 52 26.070 -11.871 -17.484 1.00 0.00 C ATOM 251 C LYS A 52 27.394 -11.380 -18.063 1.00 0.00 C ATOM 252 O LYS A 52 28.451 -11.852 -17.667 1.00 0.00 O ATOM 253 CB LYS A 52 25.258 -12.626 -18.545 1.00 0.00 C ATOM 254 CG LYS A 52 26.085 -13.802 -19.084 1.00 0.00 C ATOM 255 CD LYS A 52 25.261 -14.636 -20.072 1.00 0.00 C ATOM 256 CE LYS A 52 24.147 -15.394 -19.340 1.00 0.00 C ATOM 257 NZ LYS A 52 23.496 -16.366 -20.236 1.00 0.00 N ATOM 0 H LYS A 52 24.376 -10.651 -17.428 1.00 0.00 H new ATOM 0 HA LYS A 52 26.289 -12.550 -16.660 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.326 -12.991 -18.113 1.00 0.00 H new ATOM 0 HB3 LYS A 52 24.990 -11.953 -19.359 1.00 0.00 H new ATOM 0 HG2 LYS A 52 26.982 -13.427 -19.577 1.00 0.00 H new ATOM 0 HG3 LYS A 52 26.415 -14.430 -18.257 1.00 0.00 H new ATOM 0 HD2 LYS A 52 24.827 -13.986 -20.832 1.00 0.00 H new ATOM 0 HD3 LYS A 52 25.910 -15.343 -20.590 1.00 0.00 H new ATOM 0 HE2 LYS A 52 24.562 -15.912 -18.475 1.00 0.00 H new ATOM 0 HE3 LYS A 52 23.407 -14.687 -18.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.746 -16.867 -19.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 23.082 -15.866 -21.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 24.200 -17.052 -20.574 1.00 0.00 H new ATOM 271 N LYS A 53 27.326 -10.433 -19.003 1.00 0.00 N ATOM 272 CA LYS A 53 28.512 -9.892 -19.650 1.00 0.00 C ATOM 273 C LYS A 53 29.486 -9.348 -18.602 1.00 0.00 C ATOM 274 O LYS A 53 30.686 -9.597 -18.687 1.00 0.00 O ATOM 275 CB LYS A 53 28.094 -8.795 -20.635 1.00 0.00 C ATOM 276 CG LYS A 53 27.405 -9.430 -21.851 1.00 0.00 C ATOM 277 CD LYS A 53 26.625 -8.356 -22.620 1.00 0.00 C ATOM 278 CE LYS A 53 25.912 -8.978 -23.828 1.00 0.00 C ATOM 279 NZ LYS A 53 24.968 -10.034 -23.414 1.00 0.00 N ATOM 0 H LYS A 53 26.450 -10.026 -19.331 1.00 0.00 H new ATOM 0 HA LYS A 53 29.022 -10.683 -20.200 1.00 0.00 H new ATOM 0 HB2 LYS A 53 27.418 -8.092 -20.147 1.00 0.00 H new ATOM 0 HB3 LYS A 53 28.968 -8.227 -20.955 1.00 0.00 H new ATOM 0 HG2 LYS A 53 28.147 -9.891 -22.503 1.00 0.00 H new ATOM 0 HG3 LYS A 53 26.730 -10.222 -21.527 1.00 0.00 H new ATOM 0 HD2 LYS A 53 25.895 -7.885 -21.961 1.00 0.00 H new ATOM 0 HD3 LYS A 53 27.305 -7.572 -22.954 1.00 0.00 H new ATOM 0 HE2 LYS A 53 25.375 -8.202 -24.374 1.00 0.00 H new ATOM 0 HE3 LYS A 53 26.650 -9.396 -24.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 24.064 -9.907 -23.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 25.365 -10.966 -23.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 24.809 -9.974 -22.388 1.00 0.00 H new ATOM 293 N LEU A 54 28.971 -8.609 -17.611 1.00 0.00 N ATOM 294 CA LEU A 54 29.807 -8.052 -16.558 1.00 0.00 C ATOM 295 C LEU A 54 30.512 -9.181 -15.805 1.00 0.00 C ATOM 296 O LEU A 54 31.734 -9.187 -15.714 1.00 0.00 O ATOM 297 CB LEU A 54 28.949 -7.208 -15.603 1.00 0.00 C ATOM 298 CG LEU A 54 28.632 -5.844 -16.239 1.00 0.00 C ATOM 299 CD1 LEU A 54 27.425 -5.218 -15.535 1.00 0.00 C ATOM 300 CD2 LEU A 54 29.838 -4.907 -16.097 1.00 0.00 C ATOM 0 H LEU A 54 27.979 -8.387 -17.523 1.00 0.00 H new ATOM 0 HA LEU A 54 30.566 -7.406 -16.999 1.00 0.00 H new ATOM 0 HB2 LEU A 54 28.023 -7.734 -15.373 1.00 0.00 H new ATOM 0 HB3 LEU A 54 29.476 -7.064 -14.660 1.00 0.00 H new ATOM 0 HG LEU A 54 28.409 -5.989 -17.296 1.00 0.00 H new ATOM 0 HD11 LEU A 54 27.201 -4.251 -15.987 1.00 0.00 H new ATOM 0 HD12 LEU A 54 26.562 -5.875 -15.639 1.00 0.00 H new ATOM 0 HD13 LEU A 54 27.651 -5.081 -14.478 1.00 0.00 H new ATOM 0 HD21 LEU A 54 29.605 -3.943 -16.550 1.00 0.00 H new ATOM 0 HD22 LEU A 54 30.067 -4.766 -15.041 1.00 0.00 H new ATOM 0 HD23 LEU A 54 30.700 -5.345 -16.599 1.00 0.00 H new ATOM 312 N VAL A 55 29.743 -10.136 -15.269 1.00 0.00 N ATOM 313 CA VAL A 55 30.305 -11.257 -14.520 1.00 0.00 C ATOM 314 C VAL A 55 31.359 -11.985 -15.365 1.00 0.00 C ATOM 315 O VAL A 55 32.426 -12.321 -14.864 1.00 0.00 O ATOM 316 CB VAL A 55 29.172 -12.210 -14.101 1.00 0.00 C ATOM 317 CG1 VAL A 55 29.757 -13.518 -13.559 1.00 0.00 C ATOM 318 CG2 VAL A 55 28.326 -11.550 -13.007 1.00 0.00 C ATOM 0 H VAL A 55 28.726 -10.151 -15.343 1.00 0.00 H new ATOM 0 HA VAL A 55 30.798 -10.886 -13.621 1.00 0.00 H new ATOM 0 HB VAL A 55 28.552 -12.425 -14.972 1.00 0.00 H new ATOM 0 HG11 VAL A 55 28.946 -14.185 -13.265 1.00 0.00 H new ATOM 0 HG12 VAL A 55 30.358 -13.996 -14.333 1.00 0.00 H new ATOM 0 HG13 VAL A 55 30.383 -13.305 -12.693 1.00 0.00 H new ATOM 0 HG21 VAL A 55 27.523 -12.225 -12.710 1.00 0.00 H new ATOM 0 HG22 VAL A 55 28.954 -11.332 -12.143 1.00 0.00 H new ATOM 0 HG23 VAL A 55 27.898 -10.623 -13.388 1.00 0.00 H new ATOM 328 N GLU A 56 31.058 -12.225 -16.644 1.00 0.00 N ATOM 329 CA GLU A 56 31.980 -12.910 -17.541 1.00 0.00 C ATOM 330 C GLU A 56 33.281 -12.112 -17.680 1.00 0.00 C ATOM 331 O GLU A 56 34.359 -12.699 -17.758 1.00 0.00 O ATOM 332 CB GLU A 56 31.310 -13.101 -18.905 1.00 0.00 C ATOM 333 CG GLU A 56 30.269 -14.225 -18.816 1.00 0.00 C ATOM 334 CD GLU A 56 29.412 -14.299 -20.079 1.00 0.00 C ATOM 335 OE1 GLU A 56 29.429 -13.310 -20.845 1.00 0.00 O ATOM 336 OE2 GLU A 56 28.750 -15.345 -20.252 1.00 0.00 O ATOM 0 H GLU A 56 30.177 -11.952 -17.079 1.00 0.00 H new ATOM 0 HA GLU A 56 32.230 -13.887 -17.128 1.00 0.00 H new ATOM 0 HB2 GLU A 56 30.832 -12.173 -19.219 1.00 0.00 H new ATOM 0 HB3 GLU A 56 32.059 -13.345 -19.658 1.00 0.00 H new ATOM 0 HG2 GLU A 56 30.774 -15.178 -18.662 1.00 0.00 H new ATOM 0 HG3 GLU A 56 29.628 -14.060 -17.950 1.00 0.00 H new ATOM 343 N GLN A 57 33.181 -10.776 -17.712 1.00 0.00 N ATOM 344 CA GLN A 57 34.350 -9.918 -17.846 1.00 0.00 C ATOM 345 C GLN A 57 35.176 -9.943 -16.558 1.00 0.00 C ATOM 346 O GLN A 57 36.351 -10.303 -16.589 1.00 0.00 O ATOM 347 CB GLN A 57 33.903 -8.487 -18.178 1.00 0.00 C ATOM 348 CG GLN A 57 33.520 -8.389 -19.660 1.00 0.00 C ATOM 349 CD GLN A 57 34.751 -8.475 -20.556 1.00 0.00 C ATOM 350 OE1 GLN A 57 34.900 -9.423 -21.321 1.00 0.00 O ATOM 351 NE2 GLN A 57 35.634 -7.480 -20.461 1.00 0.00 N ATOM 0 H GLN A 57 32.297 -10.272 -17.646 1.00 0.00 H new ATOM 0 HA GLN A 57 34.977 -10.287 -18.658 1.00 0.00 H new ATOM 0 HB2 GLN A 57 33.053 -8.209 -17.555 1.00 0.00 H new ATOM 0 HB3 GLN A 57 34.706 -7.785 -17.954 1.00 0.00 H new ATOM 0 HG2 GLN A 57 32.827 -9.191 -19.913 1.00 0.00 H new ATOM 0 HG3 GLN A 57 33.000 -7.449 -19.842 1.00 0.00 H new ATOM 0 HE21 GLN A 57 35.469 -6.712 -19.811 1.00 0.00 H new ATOM 0 HE22 GLN A 57 36.475 -7.487 -21.039 1.00 0.00 H new ATOM 360 N ASN A 58 34.564 -9.557 -15.427 1.00 0.00 N ATOM 361 CA ASN A 58 35.264 -9.531 -14.142 1.00 0.00 C ATOM 362 C ASN A 58 35.109 -10.880 -13.435 1.00 0.00 C ATOM 363 O ASN A 58 36.007 -11.717 -13.502 1.00 0.00 O ATOM 364 CB ASN A 58 34.754 -8.367 -13.259 1.00 0.00 C ATOM 365 CG ASN A 58 33.276 -8.057 -13.491 1.00 0.00 C ATOM 366 OD1 ASN A 58 32.405 -8.739 -12.962 1.00 0.00 O ATOM 367 ND2 ASN A 58 32.998 -7.020 -14.282 1.00 0.00 N ATOM 0 H ASN A 58 33.589 -9.260 -15.381 1.00 0.00 H new ATOM 0 HA ASN A 58 36.325 -9.360 -14.322 1.00 0.00 H new ATOM 0 HB2 ASN A 58 34.908 -8.617 -12.209 1.00 0.00 H new ATOM 0 HB3 ASN A 58 35.345 -7.474 -13.464 1.00 0.00 H new ATOM 0 HD21 ASN A 58 32.028 -6.766 -14.468 1.00 0.00 H new ATOM 0 HD22 ASN A 58 33.756 -6.481 -14.701 1.00 0.00 H new ATOM 374 N GLY A 59 33.977 -11.088 -12.754 1.00 0.00 N ATOM 375 CA GLY A 59 33.722 -12.318 -12.021 1.00 0.00 C ATOM 376 C GLY A 59 32.798 -12.029 -10.846 1.00 0.00 C ATOM 377 O GLY A 59 32.279 -10.921 -10.722 1.00 0.00 O ATOM 0 H GLY A 59 33.219 -10.408 -12.700 1.00 0.00 H new ATOM 0 HA2 GLY A 59 33.269 -13.059 -12.680 1.00 0.00 H new ATOM 0 HA3 GLY A 59 34.661 -12.741 -11.663 1.00 0.00 H new ATOM 381 N THR A 60 32.598 -13.024 -9.977 1.00 0.00 N ATOM 382 CA THR A 60 31.752 -12.866 -8.802 1.00 0.00 C ATOM 383 C THR A 60 32.560 -12.204 -7.682 1.00 0.00 C ATOM 384 O THR A 60 32.607 -12.711 -6.561 1.00 0.00 O ATOM 385 CB THR A 60 31.230 -14.243 -8.372 1.00 0.00 C ATOM 386 OG1 THR A 60 32.321 -15.110 -8.142 1.00 0.00 O ATOM 387 CG2 THR A 60 30.341 -14.829 -9.473 1.00 0.00 C ATOM 0 H THR A 60 33.015 -13.950 -10.071 1.00 0.00 H new ATOM 0 HA THR A 60 30.898 -12.228 -9.030 1.00 0.00 H new ATOM 0 HB THR A 60 30.648 -14.135 -7.457 1.00 0.00 H new ATOM 0 HG1 THR A 60 31.988 -15.989 -7.866 1.00 0.00 H new ATOM 0 HG21 THR A 60 29.973 -15.807 -9.162 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.496 -14.164 -9.651 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.920 -14.934 -10.391 1.00 0.00 H new ATOM 395 N ASP A 61 33.199 -11.069 -8.000 1.00 0.00 N ATOM 396 CA ASP A 61 34.016 -10.331 -7.050 1.00 0.00 C ATOM 397 C ASP A 61 33.139 -9.296 -6.328 1.00 0.00 C ATOM 398 O ASP A 61 32.029 -9.622 -5.905 1.00 0.00 O ATOM 399 CB ASP A 61 35.179 -9.679 -7.814 1.00 0.00 C ATOM 400 CG ASP A 61 36.288 -9.241 -6.866 1.00 0.00 C ATOM 401 OD1 ASP A 61 37.003 -10.139 -6.373 1.00 0.00 O ATOM 402 OD2 ASP A 61 36.397 -8.015 -6.653 1.00 0.00 O ATOM 0 H ASP A 61 33.158 -10.644 -8.926 1.00 0.00 H new ATOM 0 HA ASP A 61 34.436 -10.990 -6.290 1.00 0.00 H new ATOM 0 HB2 ASP A 61 35.578 -10.384 -8.543 1.00 0.00 H new ATOM 0 HB3 ASP A 61 34.813 -8.817 -8.371 1.00 0.00 H new ATOM 407 N ASP A 62 33.627 -8.053 -6.188 1.00 0.00 N ATOM 408 CA ASP A 62 32.867 -6.995 -5.538 1.00 0.00 C ATOM 409 C ASP A 62 31.601 -6.700 -6.338 1.00 0.00 C ATOM 410 O ASP A 62 31.659 -6.098 -7.412 1.00 0.00 O ATOM 411 CB ASP A 62 33.733 -5.733 -5.397 1.00 0.00 C ATOM 412 CG ASP A 62 33.860 -5.326 -3.935 1.00 0.00 C ATOM 413 OD1 ASP A 62 32.856 -4.796 -3.408 1.00 0.00 O ATOM 414 OD2 ASP A 62 34.952 -5.550 -3.372 1.00 0.00 O ATOM 0 H ASP A 62 34.547 -7.764 -6.520 1.00 0.00 H new ATOM 0 HA ASP A 62 32.576 -7.322 -4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 62 34.723 -5.917 -5.815 1.00 0.00 H new ATOM 0 HB3 ASP A 62 33.291 -4.917 -5.969 1.00 0.00 H new ATOM 419 N TRP A 63 30.452 -7.127 -5.806 1.00 0.00 N ATOM 420 CA TRP A 63 29.172 -6.912 -6.455 1.00 0.00 C ATOM 421 C TRP A 63 28.828 -5.423 -6.486 1.00 0.00 C ATOM 422 O TRP A 63 27.962 -5.012 -7.249 1.00 0.00 O ATOM 423 CB TRP A 63 28.098 -7.711 -5.719 1.00 0.00 C ATOM 424 CG TRP A 63 28.174 -9.185 -5.949 1.00 0.00 C ATOM 425 CD1 TRP A 63 28.548 -10.104 -5.043 1.00 0.00 C ATOM 426 CD2 TRP A 63 27.885 -9.935 -7.165 1.00 0.00 C ATOM 427 NE1 TRP A 63 28.519 -11.367 -5.583 1.00 0.00 N ATOM 428 CE2 TRP A 63 28.115 -11.324 -6.905 1.00 0.00 C ATOM 429 CE3 TRP A 63 27.453 -9.590 -8.468 1.00 0.00 C ATOM 430 CZ2 TRP A 63 27.929 -12.308 -7.879 1.00 0.00 C ATOM 431 CZ3 TRP A 63 27.266 -10.581 -9.453 1.00 0.00 C ATOM 432 CH2 TRP A 63 27.503 -11.936 -9.159 1.00 0.00 C ATOM 0 H TRP A 63 30.391 -7.627 -4.919 1.00 0.00 H new ATOM 0 HA TRP A 63 29.224 -7.256 -7.488 1.00 0.00 H new ATOM 0 HB2 TRP A 63 28.183 -7.515 -4.650 1.00 0.00 H new ATOM 0 HB3 TRP A 63 27.116 -7.355 -6.032 1.00 0.00 H new ATOM 0 HD1 TRP A 63 28.833 -9.880 -4.026 1.00 0.00 H new ATOM 0 HE1 TRP A 63 28.762 -12.219 -5.078 1.00 0.00 H new ATOM 0 HE3 TRP A 63 27.264 -8.555 -8.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 28.112 -13.347 -7.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 26.938 -10.297 -10.442 1.00 0.00 H new ATOM 0 HH2 TRP A 63 27.356 -12.688 -9.920 1.00 0.00 H new ATOM 443 N LYS A 64 29.510 -4.614 -5.663 1.00 0.00 N ATOM 444 CA LYS A 64 29.282 -3.179 -5.631 1.00 0.00 C ATOM 445 C LYS A 64 29.581 -2.582 -7.009 1.00 0.00 C ATOM 446 O LYS A 64 28.801 -1.786 -7.525 1.00 0.00 O ATOM 447 CB LYS A 64 30.180 -2.549 -4.558 1.00 0.00 C ATOM 448 CG LYS A 64 29.684 -1.134 -4.220 1.00 0.00 C ATOM 449 CD LYS A 64 29.141 -1.089 -2.781 1.00 0.00 C ATOM 450 CE LYS A 64 27.884 -1.963 -2.644 1.00 0.00 C ATOM 451 NZ LYS A 64 26.762 -1.427 -3.436 1.00 0.00 N ATOM 0 H LYS A 64 30.225 -4.939 -5.012 1.00 0.00 H new ATOM 0 HA LYS A 64 28.241 -2.971 -5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 64 30.177 -3.168 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 64 31.210 -2.507 -4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 64 30.499 -0.419 -4.331 1.00 0.00 H new ATOM 0 HG3 LYS A 64 28.903 -0.838 -4.920 1.00 0.00 H new ATOM 0 HD2 LYS A 64 29.907 -1.435 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 64 28.906 -0.060 -2.508 1.00 0.00 H new ATOM 0 HE2 LYS A 64 28.109 -2.978 -2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 64 27.594 -2.023 -1.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 25.904 -1.981 -3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 26.598 -0.433 -3.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 26.991 -1.488 -4.449 1.00 0.00 H new ATOM 465 N VAL A 65 30.715 -2.977 -7.599 1.00 0.00 N ATOM 466 CA VAL A 65 31.126 -2.489 -8.908 1.00 0.00 C ATOM 467 C VAL A 65 30.074 -2.860 -9.952 1.00 0.00 C ATOM 468 O VAL A 65 29.645 -2.016 -10.736 1.00 0.00 O ATOM 469 CB VAL A 65 32.489 -3.103 -9.268 1.00 0.00 C ATOM 470 CG1 VAL A 65 32.902 -2.664 -10.675 1.00 0.00 C ATOM 471 CG2 VAL A 65 33.547 -2.643 -8.263 1.00 0.00 C ATOM 0 H VAL A 65 31.366 -3.641 -7.180 1.00 0.00 H new ATOM 0 HA VAL A 65 31.220 -1.403 -8.887 1.00 0.00 H new ATOM 0 HB VAL A 65 32.407 -4.189 -9.237 1.00 0.00 H new ATOM 0 HG11 VAL A 65 33.868 -3.102 -10.924 1.00 0.00 H new ATOM 0 HG12 VAL A 65 32.155 -2.999 -11.395 1.00 0.00 H new ATOM 0 HG13 VAL A 65 32.977 -1.577 -10.710 1.00 0.00 H new ATOM 0 HG21 VAL A 65 34.511 -3.081 -8.523 1.00 0.00 H new ATOM 0 HG22 VAL A 65 33.624 -1.556 -8.288 1.00 0.00 H new ATOM 0 HG23 VAL A 65 33.261 -2.964 -7.261 1.00 0.00 H new ATOM 481 N ILE A 66 29.666 -4.129 -9.956 1.00 0.00 N ATOM 482 CA ILE A 66 28.684 -4.630 -10.904 1.00 0.00 C ATOM 483 C ILE A 66 27.345 -3.904 -10.707 1.00 0.00 C ATOM 484 O ILE A 66 26.660 -3.591 -11.680 1.00 0.00 O ATOM 485 CB ILE A 66 28.549 -6.152 -10.713 1.00 0.00 C ATOM 486 CG1 ILE A 66 29.893 -6.818 -11.067 1.00 0.00 C ATOM 487 CG2 ILE A 66 27.445 -6.701 -11.622 1.00 0.00 C ATOM 488 CD1 ILE A 66 29.926 -8.266 -10.581 1.00 0.00 C ATOM 0 H ILE A 66 30.009 -4.833 -9.302 1.00 0.00 H new ATOM 0 HA ILE A 66 29.006 -4.436 -11.927 1.00 0.00 H new ATOM 0 HB ILE A 66 28.288 -6.368 -9.677 1.00 0.00 H new ATOM 0 HG12 ILE A 66 30.046 -6.788 -12.146 1.00 0.00 H new ATOM 0 HG13 ILE A 66 30.712 -6.259 -10.614 1.00 0.00 H new ATOM 0 HG21 ILE A 66 27.358 -7.778 -11.479 1.00 0.00 H new ATOM 0 HG22 ILE A 66 26.497 -6.224 -11.372 1.00 0.00 H new ATOM 0 HG23 ILE A 66 27.693 -6.492 -12.663 1.00 0.00 H new ATOM 0 HD11 ILE A 66 30.884 -8.716 -10.842 1.00 0.00 H new ATOM 0 HD12 ILE A 66 29.797 -8.290 -9.499 1.00 0.00 H new ATOM 0 HD13 ILE A 66 29.121 -8.827 -11.055 1.00 0.00 H new ATOM 500 N ALA A 67 26.980 -3.633 -9.447 1.00 0.00 N ATOM 501 CA ALA A 67 25.734 -2.951 -9.126 1.00 0.00 C ATOM 502 C ALA A 67 25.750 -1.519 -9.661 1.00 0.00 C ATOM 503 O ALA A 67 24.726 -1.026 -10.123 1.00 0.00 O ATOM 504 CB ALA A 67 25.531 -2.953 -7.611 1.00 0.00 C ATOM 0 H ALA A 67 27.540 -3.881 -8.632 1.00 0.00 H new ATOM 0 HA ALA A 67 24.906 -3.478 -9.601 1.00 0.00 H new ATOM 0 HB1 ALA A 67 24.599 -2.443 -7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 67 25.487 -3.981 -7.251 1.00 0.00 H new ATOM 0 HB3 ALA A 67 26.363 -2.437 -7.132 1.00 0.00 H new ATOM 510 N ASN A 68 26.909 -0.849 -9.599 1.00 0.00 N ATOM 511 CA ASN A 68 27.029 0.524 -10.082 1.00 0.00 C ATOM 512 C ASN A 68 26.625 0.601 -11.557 1.00 0.00 C ATOM 513 O ASN A 68 26.003 1.575 -11.977 1.00 0.00 O ATOM 514 CB ASN A 68 28.469 1.023 -9.897 1.00 0.00 C ATOM 515 CG ASN A 68 28.858 1.092 -8.421 1.00 0.00 C ATOM 516 OD1 ASN A 68 27.997 1.136 -7.545 1.00 0.00 O ATOM 517 ND2 ASN A 68 30.163 1.103 -8.149 1.00 0.00 N ATOM 0 H ASN A 68 27.772 -1.239 -9.219 1.00 0.00 H new ATOM 0 HA ASN A 68 26.360 1.162 -9.504 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.155 0.359 -10.423 1.00 0.00 H new ATOM 0 HB3 ASN A 68 28.573 2.010 -10.347 1.00 0.00 H new ATOM 0 HD21 ASN A 68 30.482 1.149 -7.181 1.00 0.00 H new ATOM 0 HD22 ASN A 68 30.843 1.065 -8.909 1.00 0.00 H new ATOM 524 N TYR A 69 26.979 -0.427 -12.341 1.00 0.00 N ATOM 525 CA TYR A 69 26.654 -0.464 -13.763 1.00 0.00 C ATOM 526 C TYR A 69 25.200 -0.900 -13.985 1.00 0.00 C ATOM 527 O TYR A 69 24.707 -0.826 -15.110 1.00 0.00 O ATOM 528 CB TYR A 69 27.614 -1.422 -14.476 1.00 0.00 C ATOM 529 CG TYR A 69 29.064 -0.980 -14.425 1.00 0.00 C ATOM 530 CD1 TYR A 69 29.434 0.284 -14.923 1.00 0.00 C ATOM 531 CD2 TYR A 69 30.044 -1.834 -13.887 1.00 0.00 C ATOM 532 CE1 TYR A 69 30.777 0.692 -14.879 1.00 0.00 C ATOM 533 CE2 TYR A 69 31.388 -1.424 -13.847 1.00 0.00 C ATOM 534 CZ TYR A 69 31.754 -0.162 -14.340 1.00 0.00 C ATOM 535 OH TYR A 69 33.058 0.234 -14.298 1.00 0.00 O ATOM 0 H TYR A 69 27.492 -1.243 -12.008 1.00 0.00 H new ATOM 0 HA TYR A 69 26.766 0.538 -14.176 1.00 0.00 H new ATOM 0 HB2 TYR A 69 27.528 -2.411 -14.025 1.00 0.00 H new ATOM 0 HB3 TYR A 69 27.309 -1.519 -15.518 1.00 0.00 H new ATOM 0 HD1 TYR A 69 28.684 0.940 -15.339 1.00 0.00 H new ATOM 0 HD2 TYR A 69 29.764 -2.804 -13.505 1.00 0.00 H new ATOM 0 HE1 TYR A 69 31.059 1.663 -15.260 1.00 0.00 H new ATOM 0 HE2 TYR A 69 32.140 -2.081 -13.436 1.00 0.00 H new ATOM 0 HH TYR A 69 33.602 -0.474 -13.894 1.00 0.00 H new ATOM 545 N LEU A 70 24.516 -1.353 -12.920 1.00 0.00 N ATOM 546 CA LEU A 70 23.129 -1.801 -13.009 1.00 0.00 C ATOM 547 C LEU A 70 22.270 -1.027 -12.001 1.00 0.00 C ATOM 548 O LEU A 70 21.999 -1.526 -10.910 1.00 0.00 O ATOM 549 CB LEU A 70 23.062 -3.308 -12.717 1.00 0.00 C ATOM 550 CG LEU A 70 23.854 -4.103 -13.766 1.00 0.00 C ATOM 551 CD1 LEU A 70 23.959 -5.559 -13.314 1.00 0.00 C ATOM 552 CD2 LEU A 70 23.143 -4.048 -15.122 1.00 0.00 C ATOM 0 H LEU A 70 24.912 -1.416 -11.982 1.00 0.00 H new ATOM 0 HA LEU A 70 22.746 -1.614 -14.012 1.00 0.00 H new ATOM 0 HB2 LEU A 70 23.463 -3.509 -11.723 1.00 0.00 H new ATOM 0 HB3 LEU A 70 22.023 -3.636 -12.714 1.00 0.00 H new ATOM 0 HG LEU A 70 24.848 -3.667 -13.868 1.00 0.00 H new ATOM 0 HD11 LEU A 70 24.520 -6.130 -14.054 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.473 -5.606 -12.354 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.959 -5.981 -13.212 1.00 0.00 H new ATOM 0 HD21 LEU A 70 23.715 -4.615 -15.856 1.00 0.00 H new ATOM 0 HD22 LEU A 70 22.146 -4.478 -15.028 1.00 0.00 H new ATOM 0 HD23 LEU A 70 23.061 -3.011 -15.448 1.00 0.00 H new ATOM 564 N PRO A 71 21.833 0.198 -12.356 1.00 0.00 N ATOM 565 CA PRO A 71 21.011 1.007 -11.481 1.00 0.00 C ATOM 566 C PRO A 71 19.716 0.270 -11.130 1.00 0.00 C ATOM 567 O PRO A 71 19.216 -0.518 -11.929 1.00 0.00 O ATOM 568 CB PRO A 71 20.735 2.306 -12.245 1.00 0.00 C ATOM 569 CG PRO A 71 21.463 2.199 -13.591 1.00 0.00 C ATOM 570 CD PRO A 71 22.130 0.824 -13.627 1.00 0.00 C ATOM 0 HA PRO A 71 21.508 1.216 -10.534 1.00 0.00 H new ATOM 0 HB2 PRO A 71 19.664 2.445 -12.396 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.092 3.168 -11.681 1.00 0.00 H new ATOM 0 HG2 PRO A 71 20.763 2.310 -14.419 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.205 2.991 -13.693 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.746 0.227 -14.454 1.00 0.00 H new ATOM 0 HD3 PRO A 71 23.206 0.917 -13.773 1.00 0.00 H new ATOM 578 N ASN A 72 19.187 0.539 -9.923 1.00 0.00 N ATOM 579 CA ASN A 72 17.953 -0.080 -9.418 1.00 0.00 C ATOM 580 C ASN A 72 18.189 -1.543 -9.012 1.00 0.00 C ATOM 581 O ASN A 72 17.259 -2.200 -8.539 1.00 0.00 O ATOM 582 CB ASN A 72 16.818 0.015 -10.454 1.00 0.00 C ATOM 583 CG ASN A 72 16.698 1.425 -11.023 1.00 0.00 C ATOM 584 OD1 ASN A 72 16.238 2.334 -10.339 1.00 0.00 O ATOM 585 ND2 ASN A 72 17.110 1.605 -12.277 1.00 0.00 N ATOM 0 H ASN A 72 19.609 1.197 -9.268 1.00 0.00 H new ATOM 0 HA ASN A 72 17.651 0.474 -8.530 1.00 0.00 H new ATOM 0 HB2 ASN A 72 17.003 -0.691 -11.264 1.00 0.00 H new ATOM 0 HB3 ASN A 72 15.875 -0.273 -9.990 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.050 2.528 -12.706 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.486 0.819 -12.808 1.00 0.00 H new ATOM 592 N ARG A 73 19.421 -2.051 -9.189 1.00 0.00 N ATOM 593 CA ARG A 73 19.764 -3.420 -8.819 1.00 0.00 C ATOM 594 C ARG A 73 20.916 -3.384 -7.821 1.00 0.00 C ATOM 595 O ARG A 73 22.071 -3.221 -8.208 1.00 0.00 O ATOM 596 CB ARG A 73 20.148 -4.222 -10.074 1.00 0.00 C ATOM 597 CG ARG A 73 18.998 -4.206 -11.092 1.00 0.00 C ATOM 598 CD ARG A 73 17.806 -5.012 -10.557 1.00 0.00 C ATOM 599 NE ARG A 73 16.616 -4.159 -10.404 1.00 0.00 N ATOM 600 CZ ARG A 73 15.548 -4.194 -11.227 1.00 0.00 C ATOM 601 NH1 ARG A 73 15.575 -4.899 -12.364 1.00 0.00 N ATOM 602 NH2 ARG A 73 14.444 -3.511 -10.901 1.00 0.00 N ATOM 0 H ARG A 73 20.196 -1.523 -9.590 1.00 0.00 H new ATOM 0 HA ARG A 73 18.907 -3.910 -8.357 1.00 0.00 H new ATOM 0 HB2 ARG A 73 21.046 -3.798 -10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 73 20.384 -5.250 -9.798 1.00 0.00 H new ATOM 0 HG2 ARG A 73 18.692 -3.179 -11.290 1.00 0.00 H new ATOM 0 HG3 ARG A 73 19.335 -4.627 -12.039 1.00 0.00 H new ATOM 0 HD2 ARG A 73 17.583 -5.833 -11.238 1.00 0.00 H new ATOM 0 HD3 ARG A 73 18.065 -5.456 -9.596 1.00 0.00 H new ATOM 0 HE ARG A 73 16.598 -3.500 -9.626 1.00 0.00 H new ATOM 0 HH11 ARG A 73 16.413 -5.421 -12.620 1.00 0.00 H new ATOM 0 HH12 ARG A 73 14.758 -4.914 -12.974 1.00 0.00 H new ATOM 0 HH21 ARG A 73 14.415 -2.970 -10.037 1.00 0.00 H new ATOM 0 HH22 ARG A 73 13.631 -3.531 -11.517 1.00 0.00 H new ATOM 616 N THR A 74 20.595 -3.529 -6.531 1.00 0.00 N ATOM 617 CA THR A 74 21.596 -3.498 -5.478 1.00 0.00 C ATOM 618 C THR A 74 22.517 -4.708 -5.599 1.00 0.00 C ATOM 619 O THR A 74 22.136 -5.726 -6.170 1.00 0.00 O ATOM 620 CB THR A 74 20.900 -3.487 -4.112 1.00 0.00 C ATOM 621 OG1 THR A 74 20.002 -4.574 -4.030 1.00 0.00 O ATOM 622 CG2 THR A 74 20.129 -2.176 -3.932 1.00 0.00 C ATOM 0 H THR A 74 19.641 -3.669 -6.197 1.00 0.00 H new ATOM 0 HA THR A 74 22.199 -2.595 -5.575 1.00 0.00 H new ATOM 0 HB THR A 74 21.652 -3.574 -3.327 1.00 0.00 H new ATOM 0 HG1 THR A 74 19.559 -4.567 -3.156 1.00 0.00 H new ATOM 0 HG21 THR A 74 19.637 -2.174 -2.960 1.00 0.00 H new ATOM 0 HG22 THR A 74 20.821 -1.336 -3.990 1.00 0.00 H new ATOM 0 HG23 THR A 74 19.380 -2.084 -4.718 1.00 0.00 H new ATOM 630 N ASP A 75 23.731 -4.589 -5.051 1.00 0.00 N ATOM 631 CA ASP A 75 24.719 -5.660 -5.076 1.00 0.00 C ATOM 632 C ASP A 75 24.110 -6.957 -4.545 1.00 0.00 C ATOM 633 O ASP A 75 24.337 -8.026 -5.111 1.00 0.00 O ATOM 634 CB ASP A 75 25.935 -5.241 -4.238 1.00 0.00 C ATOM 635 CG ASP A 75 25.511 -4.622 -2.910 1.00 0.00 C ATOM 636 OD1 ASP A 75 25.053 -3.455 -2.949 1.00 0.00 O ATOM 637 OD2 ASP A 75 25.653 -5.319 -1.887 1.00 0.00 O ATOM 0 H ASP A 75 24.052 -3.744 -4.578 1.00 0.00 H new ATOM 0 HA ASP A 75 25.039 -5.839 -6.102 1.00 0.00 H new ATOM 0 HB2 ASP A 75 26.566 -6.110 -4.051 1.00 0.00 H new ATOM 0 HB3 ASP A 75 26.536 -4.525 -4.799 1.00 0.00 H new ATOM 642 N VAL A 76 23.332 -6.861 -3.462 1.00 0.00 N ATOM 643 CA VAL A 76 22.681 -8.020 -2.877 1.00 0.00 C ATOM 644 C VAL A 76 21.777 -8.685 -3.916 1.00 0.00 C ATOM 645 O VAL A 76 21.769 -9.909 -4.034 1.00 0.00 O ATOM 646 CB VAL A 76 21.868 -7.586 -1.646 1.00 0.00 C ATOM 647 CG1 VAL A 76 21.074 -8.778 -1.098 1.00 0.00 C ATOM 648 CG2 VAL A 76 22.814 -7.070 -0.558 1.00 0.00 C ATOM 0 H VAL A 76 23.142 -5.984 -2.976 1.00 0.00 H new ATOM 0 HA VAL A 76 23.433 -8.743 -2.562 1.00 0.00 H new ATOM 0 HB VAL A 76 21.179 -6.794 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 76 20.501 -8.463 -0.226 1.00 0.00 H new ATOM 0 HG12 VAL A 76 20.394 -9.146 -1.866 1.00 0.00 H new ATOM 0 HG13 VAL A 76 21.762 -9.573 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 76 22.234 -6.763 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 76 23.506 -7.862 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 76 23.376 -6.217 -0.939 1.00 0.00 H new ATOM 658 N GLN A 77 21.014 -7.877 -4.668 1.00 0.00 N ATOM 659 CA GLN A 77 20.094 -8.397 -5.665 1.00 0.00 C ATOM 660 C GLN A 77 20.869 -8.990 -6.840 1.00 0.00 C ATOM 661 O GLN A 77 20.498 -10.041 -7.349 1.00 0.00 O ATOM 662 CB GLN A 77 19.155 -7.283 -6.135 1.00 0.00 C ATOM 663 CG GLN A 77 17.880 -7.905 -6.718 1.00 0.00 C ATOM 664 CD GLN A 77 16.977 -6.849 -7.346 1.00 0.00 C ATOM 665 OE1 GLN A 77 16.447 -7.056 -8.435 1.00 0.00 O ATOM 666 NE2 GLN A 77 16.799 -5.718 -6.662 1.00 0.00 N ATOM 0 H GLN A 77 21.023 -6.860 -4.597 1.00 0.00 H new ATOM 0 HA GLN A 77 19.494 -9.191 -5.221 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.905 -6.627 -5.301 1.00 0.00 H new ATOM 0 HB3 GLN A 77 19.650 -6.668 -6.887 1.00 0.00 H new ATOM 0 HG2 GLN A 77 18.148 -8.649 -7.469 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.337 -8.428 -5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 77 17.259 -5.589 -5.761 1.00 0.00 H new ATOM 0 HE22 GLN A 77 16.203 -4.982 -7.040 1.00 0.00 H new ATOM 675 N CYS A 78 21.949 -8.321 -7.267 1.00 0.00 N ATOM 676 CA CYS A 78 22.768 -8.807 -8.369 1.00 0.00 C ATOM 677 C CYS A 78 23.298 -10.195 -8.023 1.00 0.00 C ATOM 678 O CYS A 78 23.244 -11.111 -8.845 1.00 0.00 O ATOM 679 CB CYS A 78 23.926 -7.837 -8.632 1.00 0.00 C ATOM 680 SG CYS A 78 23.256 -6.228 -9.120 1.00 0.00 S ATOM 0 H CYS A 78 22.270 -7.442 -6.861 1.00 0.00 H new ATOM 0 HA CYS A 78 22.165 -8.870 -9.275 1.00 0.00 H new ATOM 0 HB2 CYS A 78 24.539 -7.733 -7.737 1.00 0.00 H new ATOM 0 HB3 CYS A 78 24.573 -8.228 -9.417 1.00 0.00 H new ATOM 0 HG CYS A 78 22.673 -5.673 -8.099 1.00 0.00 H new ATOM 686 N GLN A 79 23.805 -10.348 -6.795 1.00 0.00 N ATOM 687 CA GLN A 79 24.319 -11.620 -6.325 1.00 0.00 C ATOM 688 C GLN A 79 23.188 -12.648 -6.279 1.00 0.00 C ATOM 689 O GLN A 79 23.352 -13.771 -6.751 1.00 0.00 O ATOM 690 CB GLN A 79 24.941 -11.426 -4.940 1.00 0.00 C ATOM 691 CG GLN A 79 25.587 -12.734 -4.477 1.00 0.00 C ATOM 692 CD GLN A 79 26.475 -12.509 -3.258 1.00 0.00 C ATOM 693 OE1 GLN A 79 27.639 -12.902 -3.256 1.00 0.00 O ATOM 694 NE2 GLN A 79 25.926 -11.876 -2.220 1.00 0.00 N ATOM 0 H GLN A 79 23.866 -9.594 -6.110 1.00 0.00 H new ATOM 0 HA GLN A 79 25.086 -11.990 -7.006 1.00 0.00 H new ATOM 0 HB2 GLN A 79 25.688 -10.632 -4.974 1.00 0.00 H new ATOM 0 HB3 GLN A 79 24.177 -11.115 -4.228 1.00 0.00 H new ATOM 0 HG2 GLN A 79 24.811 -13.460 -4.236 1.00 0.00 H new ATOM 0 HG3 GLN A 79 26.179 -13.157 -5.288 1.00 0.00 H new ATOM 0 HE21 GLN A 79 24.955 -11.567 -2.266 1.00 0.00 H new ATOM 0 HE22 GLN A 79 26.477 -11.701 -1.380 1.00 0.00 H new ATOM 703 N HIS A 80 22.037 -12.257 -5.710 1.00 0.00 N ATOM 704 CA HIS A 80 20.882 -13.143 -5.599 1.00 0.00 C ATOM 705 C HIS A 80 20.265 -13.420 -6.971 1.00 0.00 C ATOM 706 O HIS A 80 19.413 -14.295 -7.087 1.00 0.00 O ATOM 707 CB HIS A 80 19.839 -12.519 -4.665 1.00 0.00 C ATOM 708 CG HIS A 80 19.944 -13.033 -3.256 1.00 0.00 C ATOM 709 ND1 HIS A 80 18.859 -13.062 -2.390 1.00 0.00 N ATOM 710 CD2 HIS A 80 20.987 -13.557 -2.533 1.00 0.00 C ATOM 711 CE1 HIS A 80 19.300 -13.588 -1.232 1.00 0.00 C ATOM 712 NE2 HIS A 80 20.593 -13.916 -1.254 1.00 0.00 N ATOM 0 H HIS A 80 21.887 -11.327 -5.320 1.00 0.00 H new ATOM 0 HA HIS A 80 21.216 -14.094 -5.184 1.00 0.00 H new ATOM 0 HB2 HIS A 80 19.960 -11.436 -4.663 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.841 -12.727 -5.050 1.00 0.00 H new ATOM 0 HD2 HIS A 80 21.991 -13.675 -2.914 1.00 0.00 H new ATOM 0 HE1 HIS A 80 18.668 -13.731 -0.368 1.00 0.00 H new ATOM 0 HE2 HIS A 80 21.155 -14.330 -0.510 1.00 0.00 H new ATOM 720 N ARG A 81 20.683 -12.688 -8.006 1.00 0.00 N ATOM 721 CA ARG A 81 20.173 -12.908 -9.344 1.00 0.00 C ATOM 722 C ARG A 81 21.055 -13.931 -10.049 1.00 0.00 C ATOM 723 O ARG A 81 20.556 -14.932 -10.562 1.00 0.00 O ATOM 724 CB ARG A 81 20.135 -11.580 -10.116 1.00 0.00 C ATOM 725 CG ARG A 81 19.659 -11.809 -11.561 1.00 0.00 C ATOM 726 CD ARG A 81 18.247 -12.406 -11.570 1.00 0.00 C ATOM 727 NE ARG A 81 17.691 -12.409 -12.927 1.00 0.00 N ATOM 728 CZ ARG A 81 16.531 -13.006 -13.245 1.00 0.00 C ATOM 729 NH1 ARG A 81 15.820 -13.639 -12.302 1.00 0.00 N ATOM 730 NH2 ARG A 81 16.083 -12.970 -14.506 1.00 0.00 N ATOM 0 H ARG A 81 21.373 -11.940 -7.934 1.00 0.00 H new ATOM 0 HA ARG A 81 19.155 -13.295 -9.297 1.00 0.00 H new ATOM 0 HB2 ARG A 81 19.467 -10.880 -9.614 1.00 0.00 H new ATOM 0 HB3 ARG A 81 21.126 -11.127 -10.121 1.00 0.00 H new ATOM 0 HG2 ARG A 81 19.665 -10.865 -12.107 1.00 0.00 H new ATOM 0 HG3 ARG A 81 20.347 -12.479 -12.076 1.00 0.00 H new ATOM 0 HD2 ARG A 81 18.275 -13.424 -11.182 1.00 0.00 H new ATOM 0 HD3 ARG A 81 17.600 -11.830 -10.908 1.00 0.00 H new ATOM 0 HE ARG A 81 18.211 -11.934 -13.665 1.00 0.00 H new ATOM 0 HH11 ARG A 81 16.160 -13.668 -11.341 1.00 0.00 H new ATOM 0 HH12 ARG A 81 14.939 -14.092 -12.546 1.00 0.00 H new ATOM 0 HH21 ARG A 81 16.623 -12.489 -15.225 1.00 0.00 H new ATOM 0 HH22 ARG A 81 15.202 -13.424 -14.747 1.00 0.00 H new ATOM 744 N TRP A 82 22.371 -13.682 -10.081 1.00 0.00 N ATOM 745 CA TRP A 82 23.286 -14.573 -10.766 1.00 0.00 C ATOM 746 C TRP A 82 23.508 -15.862 -9.972 1.00 0.00 C ATOM 747 O TRP A 82 23.206 -16.941 -10.472 1.00 0.00 O ATOM 748 CB TRP A 82 24.621 -13.884 -11.033 1.00 0.00 C ATOM 749 CG TRP A 82 25.554 -14.747 -11.814 1.00 0.00 C ATOM 750 CD1 TRP A 82 26.507 -15.536 -11.297 1.00 0.00 C ATOM 751 CD2 TRP A 82 25.595 -14.983 -13.252 1.00 0.00 C ATOM 752 NE1 TRP A 82 27.134 -16.257 -12.279 1.00 0.00 N ATOM 753 CE2 TRP A 82 26.611 -15.953 -13.522 1.00 0.00 C ATOM 754 CE3 TRP A 82 24.870 -14.491 -14.362 1.00 0.00 C ATOM 755 CZ2 TRP A 82 26.888 -16.408 -14.813 1.00 0.00 C ATOM 756 CZ3 TRP A 82 25.147 -14.951 -15.666 1.00 0.00 C ATOM 757 CH2 TRP A 82 26.152 -15.910 -15.888 1.00 0.00 C ATOM 0 H TRP A 82 22.813 -12.875 -9.641 1.00 0.00 H new ATOM 0 HA TRP A 82 22.831 -14.835 -11.721 1.00 0.00 H new ATOM 0 HB2 TRP A 82 24.446 -12.956 -11.577 1.00 0.00 H new ATOM 0 HB3 TRP A 82 25.085 -13.615 -10.084 1.00 0.00 H new ATOM 0 HD1 TRP A 82 26.748 -15.595 -10.246 1.00 0.00 H new ATOM 0 HE1 TRP A 82 27.885 -16.927 -12.115 1.00 0.00 H new ATOM 0 HE3 TRP A 82 24.095 -13.754 -14.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 27.666 -17.139 -14.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 24.583 -14.564 -16.501 1.00 0.00 H new ATOM 0 HH2 TRP A 82 26.353 -16.260 -16.890 1.00 0.00 H new ATOM 768 N GLN A 83 24.047 -15.756 -8.745 1.00 0.00 N ATOM 769 CA GLN A 83 24.358 -16.932 -7.927 1.00 0.00 C ATOM 770 C GLN A 83 23.088 -17.505 -7.296 1.00 0.00 C ATOM 771 O GLN A 83 23.068 -17.801 -6.102 1.00 0.00 O ATOM 772 CB GLN A 83 25.366 -16.547 -6.834 1.00 0.00 C ATOM 773 CG GLN A 83 26.661 -16.032 -7.468 1.00 0.00 C ATOM 774 CD GLN A 83 27.777 -15.916 -6.431 1.00 0.00 C ATOM 775 OE1 GLN A 83 28.926 -16.235 -6.718 1.00 0.00 O ATOM 776 NE2 GLN A 83 27.439 -15.459 -5.225 1.00 0.00 N ATOM 0 H GLN A 83 24.275 -14.866 -8.302 1.00 0.00 H new ATOM 0 HA GLN A 83 24.795 -17.699 -8.567 1.00 0.00 H new ATOM 0 HB2 GLN A 83 24.938 -15.780 -6.188 1.00 0.00 H new ATOM 0 HB3 GLN A 83 25.579 -17.411 -6.205 1.00 0.00 H new ATOM 0 HG2 GLN A 83 26.971 -16.707 -8.266 1.00 0.00 H new ATOM 0 HG3 GLN A 83 26.483 -15.058 -7.925 1.00 0.00 H new ATOM 0 HE21 GLN A 83 26.471 -15.205 -5.029 1.00 0.00 H new ATOM 0 HE22 GLN A 83 28.149 -15.363 -4.499 1.00 0.00 H new ATOM 785 N LYS A 84 22.032 -17.660 -8.095 1.00 0.00 N ATOM 786 CA LYS A 84 20.772 -18.195 -7.616 1.00 0.00 C ATOM 787 C LYS A 84 19.923 -18.683 -8.791 1.00 0.00 C ATOM 788 O LYS A 84 19.184 -19.655 -8.648 1.00 0.00 O ATOM 789 CB LYS A 84 20.028 -17.109 -6.827 1.00 0.00 C ATOM 790 CG LYS A 84 19.408 -17.695 -5.552 1.00 0.00 C ATOM 791 CD LYS A 84 20.495 -17.909 -4.489 1.00 0.00 C ATOM 792 CE LYS A 84 19.852 -18.083 -3.109 1.00 0.00 C ATOM 793 NZ LYS A 84 19.421 -16.786 -2.553 1.00 0.00 N ATOM 0 H LYS A 84 22.032 -17.418 -9.086 1.00 0.00 H new ATOM 0 HA LYS A 84 20.964 -19.045 -6.961 1.00 0.00 H new ATOM 0 HB2 LYS A 84 20.717 -16.305 -6.566 1.00 0.00 H new ATOM 0 HB3 LYS A 84 19.247 -16.671 -7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 84 18.641 -17.022 -5.169 1.00 0.00 H new ATOM 0 HG3 LYS A 84 18.918 -18.642 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 84 21.089 -18.789 -4.736 1.00 0.00 H new ATOM 0 HD3 LYS A 84 21.176 -17.058 -4.477 1.00 0.00 H new ATOM 0 HE2 LYS A 84 18.994 -18.751 -3.186 1.00 0.00 H new ATOM 0 HE3 LYS A 84 20.563 -18.554 -2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 19.553 -16.790 -1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 19.990 -16.023 -2.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.417 -16.630 -2.773 1.00 0.00 H new ATOM 807 N VAL A 85 20.017 -17.997 -9.952 1.00 0.00 N ATOM 808 CA VAL A 85 19.209 -18.337 -11.119 1.00 0.00 C ATOM 809 C VAL A 85 20.106 -18.684 -12.311 1.00 0.00 C ATOM 810 O VAL A 85 20.042 -19.800 -12.824 1.00 0.00 O ATOM 811 CB VAL A 85 18.279 -17.157 -11.453 1.00 0.00 C ATOM 812 CG1 VAL A 85 17.279 -17.579 -12.533 1.00 0.00 C ATOM 813 CG2 VAL A 85 17.513 -16.723 -10.196 1.00 0.00 C ATOM 0 H VAL A 85 20.647 -17.207 -10.094 1.00 0.00 H new ATOM 0 HA VAL A 85 18.602 -19.214 -10.897 1.00 0.00 H new ATOM 0 HB VAL A 85 18.880 -16.324 -11.816 1.00 0.00 H new ATOM 0 HG11 VAL A 85 16.622 -16.742 -12.768 1.00 0.00 H new ATOM 0 HG12 VAL A 85 17.819 -17.879 -13.431 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.684 -18.417 -12.170 1.00 0.00 H new ATOM 0 HG21 VAL A 85 16.857 -15.888 -10.440 1.00 0.00 H new ATOM 0 HG22 VAL A 85 16.916 -17.557 -9.827 1.00 0.00 H new ATOM 0 HG23 VAL A 85 18.221 -16.415 -9.426 1.00 0.00 H new ATOM 823 N LEU A 86 20.934 -17.730 -12.761 1.00 0.00 N ATOM 824 CA LEU A 86 21.804 -17.951 -13.911 1.00 0.00 C ATOM 825 C LEU A 86 22.874 -18.982 -13.558 1.00 0.00 C ATOM 826 O LEU A 86 23.564 -18.844 -12.551 1.00 0.00 O ATOM 827 CB LEU A 86 22.478 -16.636 -14.340 1.00 0.00 C ATOM 828 CG LEU A 86 21.510 -15.696 -15.094 1.00 0.00 C ATOM 829 CD1 LEU A 86 20.852 -16.422 -16.274 1.00 0.00 C ATOM 830 CD2 LEU A 86 20.434 -15.159 -14.148 1.00 0.00 C ATOM 0 H LEU A 86 21.015 -16.803 -12.343 1.00 0.00 H new ATOM 0 HA LEU A 86 21.198 -18.321 -14.738 1.00 0.00 H new ATOM 0 HB2 LEU A 86 22.864 -16.124 -13.458 1.00 0.00 H new ATOM 0 HB3 LEU A 86 23.333 -16.860 -14.978 1.00 0.00 H new ATOM 0 HG LEU A 86 22.090 -14.858 -15.480 1.00 0.00 H new ATOM 0 HD11 LEU A 86 20.175 -15.740 -16.789 1.00 0.00 H new ATOM 0 HD12 LEU A 86 21.622 -16.762 -16.967 1.00 0.00 H new ATOM 0 HD13 LEU A 86 20.291 -17.281 -15.906 1.00 0.00 H new ATOM 0 HD21 LEU A 86 19.763 -14.499 -14.698 1.00 0.00 H new ATOM 0 HD22 LEU A 86 19.866 -15.992 -13.733 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.906 -14.603 -13.338 1.00 0.00 H new ATOM 842 N ASN A 87 23.012 -20.012 -14.398 1.00 0.00 N ATOM 843 CA ASN A 87 24.004 -21.053 -14.188 1.00 0.00 C ATOM 844 C ASN A 87 24.312 -21.734 -15.526 1.00 0.00 C ATOM 845 O ASN A 87 23.670 -22.725 -15.874 1.00 0.00 O ATOM 846 CB ASN A 87 23.470 -22.063 -13.164 1.00 0.00 C ATOM 847 CG ASN A 87 24.535 -23.096 -12.802 1.00 0.00 C ATOM 848 OD1 ASN A 87 25.153 -23.007 -11.746 1.00 0.00 O ATOM 849 ND2 ASN A 87 24.748 -24.076 -13.679 1.00 0.00 N ATOM 0 H ASN A 87 22.441 -20.141 -15.234 1.00 0.00 H new ATOM 0 HA ASN A 87 24.927 -20.623 -13.799 1.00 0.00 H new ATOM 0 HB2 ASN A 87 23.148 -21.538 -12.265 1.00 0.00 H new ATOM 0 HB3 ASN A 87 22.593 -22.567 -13.570 1.00 0.00 H new ATOM 0 HD21 ASN A 87 25.449 -24.791 -13.484 1.00 0.00 H new ATOM 0 HD22 ASN A 87 24.211 -24.111 -14.545 1.00 0.00 H new ATOM 856 N PRO A 88 25.294 -21.206 -16.285 1.00 0.00 N ATOM 857 CA PRO A 88 25.675 -21.770 -17.564 1.00 0.00 C ATOM 858 C PRO A 88 26.173 -23.205 -17.388 1.00 0.00 C ATOM 859 O PRO A 88 26.733 -23.549 -16.345 1.00 0.00 O ATOM 860 CB PRO A 88 26.778 -20.858 -18.114 1.00 0.00 C ATOM 861 CG PRO A 88 26.970 -19.725 -17.097 1.00 0.00 C ATOM 862 CD PRO A 88 26.059 -20.036 -15.909 1.00 0.00 C ATOM 0 HA PRO A 88 24.832 -21.819 -18.253 1.00 0.00 H new ATOM 0 HB2 PRO A 88 27.705 -21.414 -18.252 1.00 0.00 H new ATOM 0 HB3 PRO A 88 26.498 -20.458 -19.089 1.00 0.00 H new ATOM 0 HG2 PRO A 88 28.011 -19.663 -16.780 1.00 0.00 H new ATOM 0 HG3 PRO A 88 26.714 -18.762 -17.539 1.00 0.00 H new ATOM 0 HD2 PRO A 88 26.644 -20.225 -15.009 1.00 0.00 H new ATOM 0 HD3 PRO A 88 25.402 -19.194 -15.691 1.00 0.00 H new ATOM 870 N GLU A 89 25.967 -24.040 -18.413 1.00 0.00 N ATOM 871 CA GLU A 89 26.385 -25.433 -18.378 1.00 0.00 C ATOM 872 C GLU A 89 27.895 -25.525 -18.613 1.00 0.00 C ATOM 873 O GLU A 89 28.340 -25.996 -19.656 1.00 0.00 O ATOM 874 CB GLU A 89 25.616 -26.218 -19.447 1.00 0.00 C ATOM 875 CG GLU A 89 24.118 -26.205 -19.125 1.00 0.00 C ATOM 876 CD GLU A 89 23.336 -26.999 -20.165 1.00 0.00 C ATOM 877 OE1 GLU A 89 23.342 -28.243 -20.051 1.00 0.00 O ATOM 878 OE2 GLU A 89 22.749 -26.345 -21.053 1.00 0.00 O ATOM 0 H GLU A 89 25.508 -23.765 -19.282 1.00 0.00 H new ATOM 0 HA GLU A 89 26.165 -25.863 -17.401 1.00 0.00 H new ATOM 0 HB2 GLU A 89 25.790 -25.778 -20.429 1.00 0.00 H new ATOM 0 HB3 GLU A 89 25.979 -27.245 -19.489 1.00 0.00 H new ATOM 0 HG2 GLU A 89 23.950 -26.629 -18.135 1.00 0.00 H new ATOM 0 HG3 GLU A 89 23.756 -25.177 -19.097 1.00 0.00 H new HETATM 885 N NH2 A 90 28.679 -25.073 -17.636 1.00 0.00 N TER 888 NH2 A 90