USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 596 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc=-7.37e-05 (180deg=-0.207) USER MOD Single : A 2 SER OG : rot 180:sc= -0.054 USER MOD Single : A 4 SER OG : rot 180:sc= -0.153 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0.252 K(o=0.25,f=-2.8!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0127 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN :FLIP amide:sc= -4.16! C(o=-8.2!,f=-4.2!) USER MOD Single : A 43 HIS : no HE2:sc= -0.659 X(o=-0.66,f=-0.92) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 43:sc= -6.62! USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= 0.546 (180deg=0.323) USER MOD Single : A 71 SER OG : rot 180:sc= -1.77! USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.146 K(o=-0.15,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.787 7.673 24.214 1.00 0.00 N ATOM 2 CA MET A 1 -28.130 6.226 24.119 1.00 0.00 C ATOM 3 C MET A 1 -27.085 5.510 23.260 1.00 0.00 C ATOM 4 O MET A 1 -27.394 4.595 22.523 1.00 0.00 O ATOM 5 CB MET A 1 -29.512 6.068 23.478 1.00 0.00 C ATOM 6 CG MET A 1 -29.459 6.539 22.023 1.00 0.00 C ATOM 7 SD MET A 1 -30.867 5.852 21.117 1.00 0.00 S ATOM 8 CE MET A 1 -32.090 7.084 21.628 1.00 0.00 C ATOM 0 H1 MET A 1 -28.584 8.192 24.634 1.00 0.00 H new ATOM 0 H2 MET A 1 -26.944 7.791 24.811 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.593 8.047 23.263 1.00 0.00 H new ATOM 0 HA MET A 1 -28.142 5.790 25.118 1.00 0.00 H new ATOM 0 HB2 MET A 1 -29.828 5.026 23.522 1.00 0.00 H new ATOM 0 HB3 MET A 1 -30.250 6.648 24.032 1.00 0.00 H new ATOM 0 HG2 MET A 1 -29.482 7.628 21.981 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.525 6.221 21.560 1.00 0.00 H new ATOM 0 HE1 MET A 1 -33.054 6.850 21.175 1.00 0.00 H new ATOM 0 HE2 MET A 1 -32.187 7.072 22.714 1.00 0.00 H new ATOM 0 HE3 MET A 1 -31.768 8.073 21.303 1.00 0.00 H new ATOM 20 N SER A 2 -25.849 5.919 23.351 1.00 0.00 N ATOM 21 CA SER A 2 -24.784 5.263 22.541 1.00 0.00 C ATOM 22 C SER A 2 -25.076 5.468 21.053 1.00 0.00 C ATOM 23 O SER A 2 -25.972 6.200 20.681 1.00 0.00 O ATOM 24 CB SER A 2 -24.754 3.767 22.854 1.00 0.00 C ATOM 25 OG SER A 2 -25.055 3.569 24.230 1.00 0.00 O ATOM 0 H SER A 2 -25.531 6.679 23.952 1.00 0.00 H new ATOM 0 HA SER A 2 -23.818 5.704 22.785 1.00 0.00 H new ATOM 0 HB2 SER A 2 -25.477 3.239 22.232 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.772 3.355 22.622 1.00 0.00 H new ATOM 0 HG SER A 2 -25.038 2.611 24.434 1.00 0.00 H new ATOM 31 N ARG A 3 -24.327 4.827 20.197 1.00 0.00 N ATOM 32 CA ARG A 3 -24.564 4.986 18.735 1.00 0.00 C ATOM 33 C ARG A 3 -26.030 4.682 18.421 1.00 0.00 C ATOM 34 O ARG A 3 -26.479 3.559 18.533 1.00 0.00 O ATOM 35 CB ARG A 3 -23.665 4.019 17.964 1.00 0.00 C ATOM 36 CG ARG A 3 -24.055 2.578 18.299 1.00 0.00 C ATOM 37 CD ARG A 3 -22.814 1.684 18.236 1.00 0.00 C ATOM 38 NE ARG A 3 -22.365 1.557 16.820 1.00 0.00 N ATOM 39 CZ ARG A 3 -21.924 2.604 16.178 1.00 0.00 C ATOM 40 NH1 ARG A 3 -22.675 3.184 15.282 1.00 0.00 N ATOM 41 NH2 ARG A 3 -20.732 3.071 16.432 1.00 0.00 N ATOM 0 H ARG A 3 -23.562 4.201 20.447 1.00 0.00 H new ATOM 0 HA ARG A 3 -24.334 6.009 18.438 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -23.762 4.193 16.892 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -22.620 4.193 18.222 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -24.499 2.532 19.293 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -24.809 2.222 17.597 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -22.016 2.108 18.845 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -23.040 0.700 18.647 1.00 0.00 H new ATOM 0 HE ARG A 3 -22.403 0.651 16.353 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -23.607 2.819 15.084 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -22.330 4.002 14.780 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -20.145 2.618 17.132 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -20.387 3.889 15.930 1.00 0.00 H new ATOM 55 N SER A 4 -26.778 5.675 18.030 1.00 0.00 N ATOM 56 CA SER A 4 -28.216 5.447 17.711 1.00 0.00 C ATOM 57 C SER A 4 -28.348 4.760 16.346 1.00 0.00 C ATOM 58 O SER A 4 -29.000 3.742 16.232 1.00 0.00 O ATOM 59 CB SER A 4 -28.951 6.789 17.682 1.00 0.00 C ATOM 60 OG SER A 4 -28.084 7.810 18.157 1.00 0.00 O ATOM 0 H SER A 4 -26.456 6.636 17.917 1.00 0.00 H new ATOM 0 HA SER A 4 -28.655 4.806 18.476 1.00 0.00 H new ATOM 0 HB2 SER A 4 -29.277 7.016 16.667 1.00 0.00 H new ATOM 0 HB3 SER A 4 -29.847 6.740 18.301 1.00 0.00 H new ATOM 0 HG SER A 4 -28.551 8.671 18.138 1.00 0.00 H new ATOM 66 N PRO A 5 -27.726 5.340 15.351 1.00 0.00 N ATOM 67 CA PRO A 5 -27.762 4.807 13.978 1.00 0.00 C ATOM 68 C PRO A 5 -26.792 3.630 13.836 1.00 0.00 C ATOM 69 O PRO A 5 -26.223 3.163 14.803 1.00 0.00 O ATOM 70 CB PRO A 5 -27.312 5.992 13.120 1.00 0.00 C ATOM 71 CG PRO A 5 -26.513 6.930 14.057 1.00 0.00 C ATOM 72 CD PRO A 5 -26.934 6.579 15.497 1.00 0.00 C ATOM 0 HA PRO A 5 -28.743 4.428 13.691 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -26.694 5.656 12.287 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -28.170 6.510 12.692 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -25.440 6.790 13.922 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -26.729 7.975 13.834 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -26.067 6.424 16.139 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -27.524 7.378 15.946 1.00 0.00 H new ATOM 80 N ASP A 6 -26.600 3.148 12.639 1.00 0.00 N ATOM 81 CA ASP A 6 -25.669 2.002 12.437 1.00 0.00 C ATOM 82 C ASP A 6 -24.744 2.297 11.254 1.00 0.00 C ATOM 83 O ASP A 6 -25.026 3.143 10.428 1.00 0.00 O ATOM 84 CB ASP A 6 -26.475 0.734 12.148 1.00 0.00 C ATOM 85 CG ASP A 6 -27.553 0.558 13.218 1.00 0.00 C ATOM 86 OD1 ASP A 6 -28.611 1.147 13.068 1.00 0.00 O ATOM 87 OD2 ASP A 6 -27.304 -0.164 14.170 1.00 0.00 O ATOM 0 H ASP A 6 -27.048 3.498 11.792 1.00 0.00 H new ATOM 0 HA ASP A 6 -25.073 1.857 13.338 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -26.934 0.800 11.162 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -25.815 -0.134 12.135 1.00 0.00 H new ATOM 92 N ALA A 7 -23.641 1.604 11.166 1.00 0.00 N ATOM 93 CA ALA A 7 -22.697 1.843 10.038 1.00 0.00 C ATOM 94 C ALA A 7 -23.093 0.972 8.844 1.00 0.00 C ATOM 95 O ALA A 7 -22.348 0.112 8.416 1.00 0.00 O ATOM 96 CB ALA A 7 -21.277 1.487 10.482 1.00 0.00 C ATOM 0 H ALA A 7 -23.353 0.882 11.827 1.00 0.00 H new ATOM 0 HA ALA A 7 -22.736 2.893 9.747 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -20.584 1.661 9.659 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -20.995 2.109 11.331 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -21.239 0.437 10.773 1.00 0.00 H new ATOM 102 N LYS A 8 -24.262 1.184 8.303 1.00 0.00 N ATOM 103 CA LYS A 8 -24.706 0.369 7.138 1.00 0.00 C ATOM 104 C LYS A 8 -24.113 0.949 5.851 1.00 0.00 C ATOM 105 O LYS A 8 -24.387 2.074 5.485 1.00 0.00 O ATOM 106 CB LYS A 8 -26.232 0.399 7.053 1.00 0.00 C ATOM 107 CG LYS A 8 -26.781 -1.026 7.148 1.00 0.00 C ATOM 108 CD LYS A 8 -28.252 -1.034 6.724 1.00 0.00 C ATOM 109 CE LYS A 8 -28.563 -2.339 5.989 1.00 0.00 C ATOM 110 NZ LYS A 8 -28.125 -2.226 4.569 1.00 0.00 N ATOM 0 H LYS A 8 -24.929 1.888 8.619 1.00 0.00 H new ATOM 0 HA LYS A 8 -24.366 -0.659 7.262 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -26.639 1.010 7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -26.545 0.858 6.115 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -26.203 -1.693 6.509 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -26.683 -1.398 8.168 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -28.894 -0.935 7.599 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -28.460 -0.181 6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -28.053 -3.172 6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -29.632 -2.549 6.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -28.336 -3.113 4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -28.631 -1.441 4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -27.102 -2.045 4.535 1.00 0.00 H new ATOM 124 N GLU A 9 -23.305 0.191 5.159 1.00 0.00 N ATOM 125 CA GLU A 9 -22.706 0.709 3.895 1.00 0.00 C ATOM 126 C GLU A 9 -21.534 -0.181 3.472 1.00 0.00 C ATOM 127 O GLU A 9 -20.939 -0.870 4.277 1.00 0.00 O ATOM 128 CB GLU A 9 -22.206 2.137 4.117 1.00 0.00 C ATOM 129 CG GLU A 9 -23.027 3.102 3.261 1.00 0.00 C ATOM 130 CD GLU A 9 -22.156 4.294 2.857 1.00 0.00 C ATOM 131 OE1 GLU A 9 -21.021 4.348 3.299 1.00 0.00 O ATOM 132 OE2 GLU A 9 -22.641 5.131 2.115 1.00 0.00 O ATOM 0 H GLU A 9 -23.035 -0.759 5.412 1.00 0.00 H new ATOM 0 HA GLU A 9 -23.463 0.703 3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -22.292 2.404 5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -21.150 2.209 3.855 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -23.398 2.591 2.372 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -23.899 3.447 3.817 1.00 0.00 H new ATOM 139 N ASP A 10 -21.198 -0.164 2.210 1.00 0.00 N ATOM 140 CA ASP A 10 -20.064 -1.000 1.722 1.00 0.00 C ATOM 141 C ASP A 10 -19.112 -0.126 0.898 1.00 0.00 C ATOM 142 O ASP A 10 -19.349 0.113 -0.269 1.00 0.00 O ATOM 143 CB ASP A 10 -20.605 -2.131 0.844 1.00 0.00 C ATOM 144 CG ASP A 10 -19.639 -3.317 0.888 1.00 0.00 C ATOM 145 OD1 ASP A 10 -18.477 -3.098 1.191 1.00 0.00 O ATOM 146 OD2 ASP A 10 -20.076 -4.422 0.616 1.00 0.00 O ATOM 0 H ASP A 10 -21.662 0.395 1.494 1.00 0.00 H new ATOM 0 HA ASP A 10 -19.530 -1.425 2.572 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -21.591 -2.438 1.194 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -20.725 -1.784 -0.182 1.00 0.00 H new ATOM 151 N PRO A 11 -18.062 0.330 1.534 1.00 0.00 N ATOM 152 CA PRO A 11 -17.054 1.190 0.887 1.00 0.00 C ATOM 153 C PRO A 11 -16.120 0.362 -0.002 1.00 0.00 C ATOM 154 O PRO A 11 -16.380 -0.788 -0.295 1.00 0.00 O ATOM 155 CB PRO A 11 -16.292 1.799 2.066 1.00 0.00 C ATOM 156 CG PRO A 11 -16.516 0.851 3.268 1.00 0.00 C ATOM 157 CD PRO A 11 -17.781 0.032 2.953 1.00 0.00 C ATOM 0 HA PRO A 11 -17.494 1.943 0.234 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -15.230 1.891 1.836 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.658 2.801 2.289 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.656 0.196 3.411 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -16.641 1.418 4.190 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -17.615 -1.034 3.111 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -18.614 0.323 3.593 1.00 0.00 H new ATOM 165 N VAL A 12 -15.036 0.947 -0.435 1.00 0.00 N ATOM 166 CA VAL A 12 -14.081 0.209 -1.310 1.00 0.00 C ATOM 167 C VAL A 12 -13.862 -1.204 -0.764 1.00 0.00 C ATOM 168 O VAL A 12 -14.039 -1.464 0.410 1.00 0.00 O ATOM 169 CB VAL A 12 -12.745 0.955 -1.343 1.00 0.00 C ATOM 170 CG1 VAL A 12 -11.774 0.228 -2.276 1.00 0.00 C ATOM 171 CG2 VAL A 12 -12.973 2.378 -1.855 1.00 0.00 C ATOM 0 H VAL A 12 -14.770 1.908 -0.219 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.491 0.144 -2.318 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.323 0.990 -0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.823 0.761 -2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.613 -0.787 -1.914 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.193 0.192 -3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.023 2.912 -1.880 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.394 2.340 -2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.664 2.897 -1.191 1.00 0.00 H new ATOM 181 N GLU A 13 -13.473 -2.117 -1.611 1.00 0.00 N ATOM 182 CA GLU A 13 -13.238 -3.514 -1.150 1.00 0.00 C ATOM 183 C GLU A 13 -11.831 -3.950 -1.564 1.00 0.00 C ATOM 184 O GLU A 13 -11.360 -3.621 -2.635 1.00 0.00 O ATOM 185 CB GLU A 13 -14.271 -4.442 -1.793 1.00 0.00 C ATOM 186 CG GLU A 13 -15.680 -3.939 -1.470 1.00 0.00 C ATOM 187 CD GLU A 13 -16.552 -5.114 -1.027 1.00 0.00 C ATOM 188 OE1 GLU A 13 -16.422 -5.527 0.114 1.00 0.00 O ATOM 189 OE2 GLU A 13 -17.334 -5.584 -1.837 1.00 0.00 O ATOM 0 H GLU A 13 -13.308 -1.955 -2.604 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.332 -3.564 -0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.124 -4.475 -2.872 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.143 -5.459 -1.422 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.637 -3.187 -0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.116 -3.459 -2.346 1.00 0.00 H new ATOM 196 N CYS A 14 -11.150 -4.683 -0.726 1.00 0.00 N ATOM 197 CA CYS A 14 -9.773 -5.129 -1.081 1.00 0.00 C ATOM 198 C CYS A 14 -9.803 -5.843 -2.440 1.00 0.00 C ATOM 199 O CYS A 14 -10.551 -6.783 -2.622 1.00 0.00 O ATOM 200 CB CYS A 14 -9.254 -6.092 -0.014 1.00 0.00 C ATOM 201 SG CYS A 14 -7.473 -6.324 -0.236 1.00 0.00 S ATOM 0 H CYS A 14 -11.486 -4.991 0.186 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.115 -4.262 -1.137 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.460 -5.697 0.981 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.770 -7.049 -0.090 1.00 0.00 H new ATOM 206 N PRO A 15 -8.992 -5.374 -3.357 1.00 0.00 N ATOM 207 CA PRO A 15 -8.909 -5.952 -4.710 1.00 0.00 C ATOM 208 C PRO A 15 -8.038 -7.216 -4.711 1.00 0.00 C ATOM 209 O PRO A 15 -7.816 -7.818 -5.742 1.00 0.00 O ATOM 210 CB PRO A 15 -8.241 -4.846 -5.530 1.00 0.00 C ATOM 211 CG PRO A 15 -7.474 -3.956 -4.523 1.00 0.00 C ATOM 212 CD PRO A 15 -8.091 -4.225 -3.138 1.00 0.00 C ATOM 0 HA PRO A 15 -9.881 -6.251 -5.102 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.562 -5.268 -6.270 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -8.984 -4.264 -6.075 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.411 -4.195 -4.526 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.565 -2.903 -4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.324 -4.456 -2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.637 -3.356 -2.770 1.00 0.00 H new ATOM 220 N LEU A 16 -7.533 -7.617 -3.574 1.00 0.00 N ATOM 221 CA LEU A 16 -6.668 -8.835 -3.543 1.00 0.00 C ATOM 222 C LEU A 16 -7.339 -9.944 -2.726 1.00 0.00 C ATOM 223 O LEU A 16 -7.054 -11.112 -2.910 1.00 0.00 O ATOM 224 CB LEU A 16 -5.304 -8.510 -2.914 1.00 0.00 C ATOM 225 CG LEU A 16 -5.108 -6.995 -2.794 1.00 0.00 C ATOM 226 CD1 LEU A 16 -3.849 -6.710 -1.972 1.00 0.00 C ATOM 227 CD2 LEU A 16 -4.948 -6.387 -4.190 1.00 0.00 C ATOM 0 H LEU A 16 -7.679 -7.160 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.524 -9.172 -4.569 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.234 -8.970 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.507 -8.937 -3.522 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.976 -6.555 -2.302 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.707 -5.633 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.958 -7.143 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.984 -7.151 -2.467 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.809 -5.309 -4.104 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.080 -6.827 -4.681 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.841 -6.591 -4.780 1.00 0.00 H new ATOM 239 N CYS A 17 -8.217 -9.604 -1.821 1.00 0.00 N ATOM 240 CA CYS A 17 -8.878 -10.665 -1.005 1.00 0.00 C ATOM 241 C CYS A 17 -10.365 -10.345 -0.832 1.00 0.00 C ATOM 242 O CYS A 17 -11.079 -11.036 -0.135 1.00 0.00 O ATOM 243 CB CYS A 17 -8.197 -10.752 0.370 1.00 0.00 C ATOM 244 SG CYS A 17 -8.765 -9.402 1.440 1.00 0.00 S ATOM 0 H CYS A 17 -8.504 -8.648 -1.612 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.783 -11.623 -1.517 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.421 -11.712 0.834 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.115 -10.700 0.251 1.00 0.00 H new ATOM 249 N MET A 18 -10.833 -9.305 -1.460 1.00 0.00 N ATOM 250 CA MET A 18 -12.271 -8.941 -1.329 1.00 0.00 C ATOM 251 C MET A 18 -12.630 -8.784 0.151 1.00 0.00 C ATOM 252 O MET A 18 -12.720 -9.749 0.884 1.00 0.00 O ATOM 253 CB MET A 18 -13.136 -10.040 -1.950 1.00 0.00 C ATOM 254 CG MET A 18 -14.315 -9.404 -2.689 1.00 0.00 C ATOM 255 SD MET A 18 -14.796 -10.456 -4.081 1.00 0.00 S ATOM 256 CE MET A 18 -16.278 -9.534 -4.558 1.00 0.00 C ATOM 0 H MET A 18 -10.282 -8.690 -2.059 1.00 0.00 H new ATOM 0 HA MET A 18 -12.453 -7.999 -1.847 1.00 0.00 H new ATOM 0 HB2 MET A 18 -12.542 -10.640 -2.639 1.00 0.00 H new ATOM 0 HB3 MET A 18 -13.500 -10.713 -1.174 1.00 0.00 H new ATOM 0 HG2 MET A 18 -15.157 -9.275 -2.009 1.00 0.00 H new ATOM 0 HG3 MET A 18 -14.040 -8.412 -3.047 1.00 0.00 H new ATOM 0 HE1 MET A 18 -16.746 -10.016 -5.416 1.00 0.00 H new ATOM 0 HE2 MET A 18 -16.980 -9.517 -3.724 1.00 0.00 H new ATOM 0 HE3 MET A 18 -16.002 -8.513 -4.821 1.00 0.00 H new ATOM 266 N GLU A 19 -12.838 -7.577 0.597 1.00 0.00 N ATOM 267 CA GLU A 19 -13.191 -7.363 2.029 1.00 0.00 C ATOM 268 C GLU A 19 -13.662 -5.919 2.221 1.00 0.00 C ATOM 269 O GLU A 19 -13.518 -5.100 1.336 1.00 0.00 O ATOM 270 CB GLU A 19 -11.957 -7.616 2.898 1.00 0.00 C ATOM 271 CG GLU A 19 -12.239 -8.762 3.872 1.00 0.00 C ATOM 272 CD GLU A 19 -11.596 -8.450 5.224 1.00 0.00 C ATOM 273 OE1 GLU A 19 -10.779 -7.545 5.274 1.00 0.00 O ATOM 274 OE2 GLU A 19 -11.933 -9.119 6.186 1.00 0.00 O ATOM 0 H GLU A 19 -12.779 -6.729 0.033 1.00 0.00 H new ATOM 0 HA GLU A 19 -13.987 -8.049 2.319 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -11.102 -7.863 2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.697 -6.713 3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.314 -8.897 3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -11.843 -9.697 3.475 1.00 0.00 H new ATOM 281 N PRO A 20 -14.208 -5.647 3.379 1.00 0.00 N ATOM 282 CA PRO A 20 -14.705 -4.306 3.722 1.00 0.00 C ATOM 283 C PRO A 20 -13.531 -3.391 4.069 1.00 0.00 C ATOM 284 O PRO A 20 -12.862 -3.572 5.067 1.00 0.00 O ATOM 285 CB PRO A 20 -15.597 -4.549 4.939 1.00 0.00 C ATOM 286 CG PRO A 20 -15.128 -5.887 5.562 1.00 0.00 C ATOM 287 CD PRO A 20 -14.375 -6.648 4.453 1.00 0.00 C ATOM 0 HA PRO A 20 -15.243 -3.820 2.908 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -15.507 -3.733 5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -16.646 -4.602 4.648 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.479 -5.709 6.419 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.978 -6.467 5.921 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.413 -7.018 4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.942 -7.513 4.107 1.00 0.00 H new ATOM 295 N LEU A 21 -13.267 -2.418 3.245 1.00 0.00 N ATOM 296 CA LEU A 21 -12.128 -1.499 3.513 1.00 0.00 C ATOM 297 C LEU A 21 -12.619 -0.256 4.256 1.00 0.00 C ATOM 298 O LEU A 21 -13.162 0.657 3.667 1.00 0.00 O ATOM 299 CB LEU A 21 -11.497 -1.078 2.184 1.00 0.00 C ATOM 300 CG LEU A 21 -10.533 -2.167 1.709 1.00 0.00 C ATOM 301 CD1 LEU A 21 -10.133 -1.900 0.257 1.00 0.00 C ATOM 302 CD2 LEU A 21 -9.286 -2.159 2.593 1.00 0.00 C ATOM 0 H LEU A 21 -13.793 -2.219 2.394 1.00 0.00 H new ATOM 0 HA LEU A 21 -11.390 -2.014 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.273 -0.913 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -10.965 -0.134 2.305 1.00 0.00 H new ATOM 0 HG LEU A 21 -11.021 -3.140 1.775 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.446 -2.677 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -11.023 -1.905 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.644 -0.928 0.187 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.597 -2.934 2.257 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.799 -1.186 2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.572 -2.351 3.627 1.00 0.00 H new ATOM 314 N GLU A 22 -12.419 -0.207 5.545 1.00 0.00 N ATOM 315 CA GLU A 22 -12.862 0.987 6.317 1.00 0.00 C ATOM 316 C GLU A 22 -12.102 2.211 5.807 1.00 0.00 C ATOM 317 O GLU A 22 -11.416 2.150 4.808 1.00 0.00 O ATOM 318 CB GLU A 22 -12.558 0.776 7.801 1.00 0.00 C ATOM 319 CG GLU A 22 -13.384 -0.400 8.328 1.00 0.00 C ATOM 320 CD GLU A 22 -14.809 0.070 8.626 1.00 0.00 C ATOM 321 OE1 GLU A 22 -14.953 1.050 9.338 1.00 0.00 O ATOM 322 OE2 GLU A 22 -15.733 -0.560 8.137 1.00 0.00 O ATOM 0 H GLU A 22 -11.970 -0.940 6.094 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.934 1.137 6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.495 0.580 7.941 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.792 1.680 8.363 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.401 -1.204 7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.926 -0.804 9.231 1.00 0.00 H new ATOM 329 N ILE A 23 -12.212 3.320 6.479 1.00 0.00 N ATOM 330 CA ILE A 23 -11.487 4.536 6.015 1.00 0.00 C ATOM 331 C ILE A 23 -9.987 4.369 6.269 1.00 0.00 C ATOM 332 O ILE A 23 -9.175 4.539 5.380 1.00 0.00 O ATOM 333 CB ILE A 23 -12.004 5.757 6.776 1.00 0.00 C ATOM 334 CG1 ILE A 23 -13.438 6.062 6.333 1.00 0.00 C ATOM 335 CG2 ILE A 23 -11.109 6.959 6.477 1.00 0.00 C ATOM 336 CD1 ILE A 23 -13.505 6.099 4.805 1.00 0.00 C ATOM 0 H ILE A 23 -12.769 3.439 7.325 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.657 4.675 4.947 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.990 5.553 7.847 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -14.118 5.303 6.719 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.761 7.018 6.745 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.477 7.830 7.019 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.089 6.740 6.791 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.122 7.165 5.407 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -14.526 6.316 4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.837 6.875 4.430 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.200 5.133 4.404 1.00 0.00 H new ATOM 348 N ASP A 24 -9.614 4.040 7.473 1.00 0.00 N ATOM 349 CA ASP A 24 -8.169 3.865 7.791 1.00 0.00 C ATOM 350 C ASP A 24 -7.579 2.736 6.939 1.00 0.00 C ATOM 351 O ASP A 24 -6.378 2.611 6.808 1.00 0.00 O ATOM 352 CB ASP A 24 -8.018 3.507 9.270 1.00 0.00 C ATOM 353 CG ASP A 24 -6.694 4.057 9.799 1.00 0.00 C ATOM 354 OD1 ASP A 24 -5.887 4.485 8.991 1.00 0.00 O ATOM 355 OD2 ASP A 24 -6.508 4.042 11.006 1.00 0.00 O ATOM 0 H ASP A 24 -10.250 3.884 8.255 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.640 4.793 7.576 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.849 3.921 9.841 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.051 2.425 9.398 1.00 0.00 H new ATOM 360 N ASP A 25 -8.409 1.911 6.367 1.00 0.00 N ATOM 361 CA ASP A 25 -7.885 0.790 5.534 1.00 0.00 C ATOM 362 C ASP A 25 -7.882 1.195 4.059 1.00 0.00 C ATOM 363 O ASP A 25 -7.174 0.626 3.253 1.00 0.00 O ATOM 364 CB ASP A 25 -8.774 -0.439 5.726 1.00 0.00 C ATOM 365 CG ASP A 25 -8.523 -1.037 7.112 1.00 0.00 C ATOM 366 OD1 ASP A 25 -7.377 -1.045 7.532 1.00 0.00 O ATOM 367 OD2 ASP A 25 -9.480 -1.474 7.730 1.00 0.00 O ATOM 0 H ASP A 25 -9.425 1.962 6.439 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.865 0.557 5.841 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -9.823 -0.162 5.622 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.561 -1.179 4.955 1.00 0.00 H new ATOM 372 N ILE A 26 -8.665 2.173 3.697 1.00 0.00 N ATOM 373 CA ILE A 26 -8.702 2.611 2.273 1.00 0.00 C ATOM 374 C ILE A 26 -7.479 3.488 1.985 1.00 0.00 C ATOM 375 O ILE A 26 -6.567 3.088 1.289 1.00 0.00 O ATOM 376 CB ILE A 26 -9.990 3.402 2.016 1.00 0.00 C ATOM 377 CG1 ILE A 26 -11.161 2.426 1.881 1.00 0.00 C ATOM 378 CG2 ILE A 26 -9.862 4.211 0.723 1.00 0.00 C ATOM 379 CD1 ILE A 26 -12.463 3.211 1.716 1.00 0.00 C ATOM 0 H ILE A 26 -9.281 2.688 4.326 1.00 0.00 H new ATOM 0 HA ILE A 26 -8.683 1.741 1.616 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.163 4.083 2.850 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.007 1.773 1.022 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.219 1.786 2.762 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -10.782 4.769 0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.027 4.906 0.810 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.685 3.535 -0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -13.297 2.516 1.620 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.618 3.846 2.588 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -12.403 3.832 0.822 1.00 0.00 H new ATOM 391 N ASN A 27 -7.451 4.678 2.518 1.00 0.00 N ATOM 392 CA ASN A 27 -6.284 5.574 2.278 1.00 0.00 C ATOM 393 C ASN A 27 -4.998 4.859 2.698 1.00 0.00 C ATOM 394 O ASN A 27 -3.910 5.236 2.307 1.00 0.00 O ATOM 395 CB ASN A 27 -6.449 6.853 3.101 1.00 0.00 C ATOM 396 CG ASN A 27 -7.778 7.523 2.745 1.00 0.00 C ATOM 397 OD1 ASN A 27 -8.832 7.036 3.102 1.00 0.00 O ATOM 398 ND2 ASN A 27 -7.773 8.629 2.051 1.00 0.00 N ATOM 0 H ASN A 27 -8.185 5.069 3.109 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.229 5.827 1.219 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -6.421 6.619 4.165 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.622 7.535 2.903 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.654 9.083 1.809 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.888 9.039 1.751 1.00 0.00 H new ATOM 405 N PHE A 28 -5.110 3.828 3.491 1.00 0.00 N ATOM 406 CA PHE A 28 -3.891 3.091 3.933 1.00 0.00 C ATOM 407 C PHE A 28 -3.411 2.175 2.805 1.00 0.00 C ATOM 408 O PHE A 28 -3.845 1.047 2.680 1.00 0.00 O ATOM 409 CB PHE A 28 -4.218 2.252 5.174 1.00 0.00 C ATOM 410 CG PHE A 28 -3.108 1.254 5.421 1.00 0.00 C ATOM 411 CD1 PHE A 28 -1.828 1.704 5.769 1.00 0.00 C ATOM 412 CD2 PHE A 28 -3.358 -0.119 5.298 1.00 0.00 C ATOM 413 CE1 PHE A 28 -0.799 0.780 5.994 1.00 0.00 C ATOM 414 CE2 PHE A 28 -2.329 -1.041 5.524 1.00 0.00 C ATOM 415 CZ PHE A 28 -1.050 -0.591 5.872 1.00 0.00 C ATOM 0 H PHE A 28 -5.992 3.464 3.852 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.105 3.805 4.179 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -4.337 2.900 6.042 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -5.165 1.730 5.033 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.634 2.762 5.864 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.345 -0.466 5.029 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.188 1.126 6.262 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -2.522 -2.099 5.430 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.256 -1.303 6.046 1.00 0.00 H new ATOM 425 N PHE A 29 -2.511 2.647 1.986 1.00 0.00 N ATOM 426 CA PHE A 29 -2.002 1.796 0.874 1.00 0.00 C ATOM 427 C PHE A 29 -0.533 1.459 1.131 1.00 0.00 C ATOM 428 O PHE A 29 0.214 2.287 1.612 1.00 0.00 O ATOM 429 CB PHE A 29 -2.115 2.551 -0.451 1.00 0.00 C ATOM 430 CG PHE A 29 -1.878 4.020 -0.212 1.00 0.00 C ATOM 431 CD1 PHE A 29 -0.574 4.509 -0.053 1.00 0.00 C ATOM 432 CD2 PHE A 29 -2.967 4.893 -0.144 1.00 0.00 C ATOM 433 CE1 PHE A 29 -0.365 5.876 0.174 1.00 0.00 C ATOM 434 CE2 PHE A 29 -2.760 6.256 0.083 1.00 0.00 C ATOM 435 CZ PHE A 29 -1.459 6.750 0.241 1.00 0.00 C ATOM 0 H PHE A 29 -2.107 3.582 2.039 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.593 0.881 0.822 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.387 2.165 -1.165 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.102 2.397 -0.887 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.267 3.834 -0.105 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.971 4.513 -0.267 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.638 6.256 0.297 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.603 6.929 0.137 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.299 7.804 0.414 1.00 0.00 H new ATOM 445 N PRO A 30 -0.158 0.254 0.791 1.00 0.00 N ATOM 446 CA PRO A 30 1.224 -0.218 0.964 1.00 0.00 C ATOM 447 C PRO A 30 2.105 0.354 -0.146 1.00 0.00 C ATOM 448 O PRO A 30 3.317 0.292 -0.088 1.00 0.00 O ATOM 449 CB PRO A 30 1.103 -1.740 0.842 1.00 0.00 C ATOM 450 CG PRO A 30 -0.202 -2.009 0.054 1.00 0.00 C ATOM 451 CD PRO A 30 -1.070 -0.746 0.200 1.00 0.00 C ATOM 0 HA PRO A 30 1.676 0.087 1.908 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.965 -2.158 0.322 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.067 -2.208 1.826 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.013 -2.212 -0.995 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.720 -2.883 0.448 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.455 -0.414 -0.764 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.932 -0.927 0.842 1.00 0.00 H new ATOM 459 N CYS A 31 1.500 0.913 -1.159 1.00 0.00 N ATOM 460 CA CYS A 31 2.293 1.491 -2.278 1.00 0.00 C ATOM 461 C CYS A 31 1.809 2.915 -2.569 1.00 0.00 C ATOM 462 O CYS A 31 0.739 3.314 -2.156 1.00 0.00 O ATOM 463 CB CYS A 31 2.106 0.625 -3.522 1.00 0.00 C ATOM 464 SG CYS A 31 3.244 1.174 -4.814 1.00 0.00 S ATOM 0 H CYS A 31 0.488 0.994 -1.259 1.00 0.00 H new ATOM 0 HA CYS A 31 3.348 1.519 -2.004 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.290 -0.422 -3.281 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.077 0.694 -3.875 1.00 0.00 H new ATOM 469 N THR A 32 2.595 3.689 -3.268 1.00 0.00 N ATOM 470 CA THR A 32 2.185 5.089 -3.574 1.00 0.00 C ATOM 471 C THR A 32 1.414 5.145 -4.899 1.00 0.00 C ATOM 472 O THR A 32 0.747 6.118 -5.191 1.00 0.00 O ATOM 473 CB THR A 32 3.433 5.971 -3.675 1.00 0.00 C ATOM 474 OG1 THR A 32 3.096 7.202 -4.301 1.00 0.00 O ATOM 475 CG2 THR A 32 4.502 5.252 -4.498 1.00 0.00 C ATOM 0 H THR A 32 3.503 3.412 -3.640 1.00 0.00 H new ATOM 0 HA THR A 32 1.537 5.450 -2.775 1.00 0.00 H new ATOM 0 HB THR A 32 3.819 6.168 -2.675 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.895 7.766 -4.364 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.390 5.880 -4.569 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.762 4.311 -4.014 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.118 5.052 -5.498 1.00 0.00 H new ATOM 483 N CYS A 33 1.497 4.122 -5.709 1.00 0.00 N ATOM 484 CA CYS A 33 0.761 4.157 -7.007 1.00 0.00 C ATOM 485 C CYS A 33 -0.736 4.337 -6.742 1.00 0.00 C ATOM 486 O CYS A 33 -1.417 5.049 -7.453 1.00 0.00 O ATOM 487 CB CYS A 33 1.006 2.863 -7.791 1.00 0.00 C ATOM 488 SG CYS A 33 0.236 1.465 -6.940 1.00 0.00 S ATOM 0 H CYS A 33 2.035 3.274 -5.531 1.00 0.00 H new ATOM 0 HA CYS A 33 1.124 4.996 -7.601 1.00 0.00 H new ATOM 0 HB2 CYS A 33 0.598 2.956 -8.797 1.00 0.00 H new ATOM 0 HB3 CYS A 33 2.077 2.690 -7.896 1.00 0.00 H new ATOM 493 N GLY A 34 -1.255 3.713 -5.718 1.00 0.00 N ATOM 494 CA GLY A 34 -2.706 3.873 -5.411 1.00 0.00 C ATOM 495 C GLY A 34 -3.390 2.508 -5.347 1.00 0.00 C ATOM 496 O GLY A 34 -4.599 2.409 -5.422 1.00 0.00 O ATOM 0 H GLY A 34 -0.740 3.102 -5.084 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.828 4.393 -4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.180 4.489 -6.175 1.00 0.00 H new ATOM 500 N TYR A 35 -2.639 1.452 -5.195 1.00 0.00 N ATOM 501 CA TYR A 35 -3.272 0.107 -5.111 1.00 0.00 C ATOM 502 C TYR A 35 -3.640 -0.173 -3.655 1.00 0.00 C ATOM 503 O TYR A 35 -3.374 -1.233 -3.124 1.00 0.00 O ATOM 504 CB TYR A 35 -2.298 -0.960 -5.613 1.00 0.00 C ATOM 505 CG TYR A 35 -3.081 -2.158 -6.094 1.00 0.00 C ATOM 506 CD1 TYR A 35 -4.112 -1.988 -7.026 1.00 0.00 C ATOM 507 CD2 TYR A 35 -2.780 -3.436 -5.609 1.00 0.00 C ATOM 508 CE1 TYR A 35 -4.842 -3.096 -7.473 1.00 0.00 C ATOM 509 CE2 TYR A 35 -3.509 -4.543 -6.055 1.00 0.00 C ATOM 510 CZ TYR A 35 -4.540 -4.375 -6.987 1.00 0.00 C ATOM 511 OH TYR A 35 -5.260 -5.466 -7.427 1.00 0.00 O ATOM 0 H TYR A 35 -1.621 1.462 -5.126 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.168 0.083 -5.731 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.687 -0.560 -6.423 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -1.616 -1.252 -4.814 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.344 -1.002 -7.400 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.985 -3.567 -4.890 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.637 -2.965 -8.192 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -3.276 -5.529 -5.680 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.923 -6.277 -6.993 1.00 0.00 H new ATOM 521 N GLN A 36 -4.245 0.783 -3.006 1.00 0.00 N ATOM 522 CA GLN A 36 -4.631 0.595 -1.574 1.00 0.00 C ATOM 523 C GLN A 36 -5.238 -0.797 -1.387 1.00 0.00 C ATOM 524 O GLN A 36 -5.946 -1.298 -2.238 1.00 0.00 O ATOM 525 CB GLN A 36 -5.662 1.658 -1.151 1.00 0.00 C ATOM 526 CG GLN A 36 -5.499 2.922 -2.000 1.00 0.00 C ATOM 527 CD GLN A 36 -6.226 4.091 -1.332 1.00 0.00 C ATOM 528 OE1 GLN A 36 -7.426 3.913 -0.858 1.00 0.00 O flip ATOM 529 NE2 GLN A 36 -5.695 5.180 -1.246 1.00 0.00 N flip ATOM 0 H GLN A 36 -4.490 1.689 -3.404 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.740 0.698 -0.955 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -6.671 1.262 -1.266 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.533 1.901 -0.096 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.441 3.159 -2.117 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -5.901 2.755 -2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.755 5.320 -1.617 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.189 5.955 -0.803 1.00 0.00 H new ATOM 538 N ILE A 37 -4.966 -1.425 -0.274 1.00 0.00 N ATOM 539 CA ILE A 37 -5.526 -2.782 -0.026 1.00 0.00 C ATOM 540 C ILE A 37 -5.950 -2.894 1.440 1.00 0.00 C ATOM 541 O ILE A 37 -6.020 -1.911 2.151 1.00 0.00 O ATOM 542 CB ILE A 37 -4.462 -3.838 -0.331 1.00 0.00 C ATOM 543 CG1 ILE A 37 -3.192 -3.528 0.466 1.00 0.00 C ATOM 544 CG2 ILE A 37 -4.140 -3.821 -1.826 1.00 0.00 C ATOM 545 CD1 ILE A 37 -2.535 -4.839 0.901 1.00 0.00 C ATOM 0 H ILE A 37 -4.379 -1.055 0.474 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.390 -2.943 -0.670 1.00 0.00 H new ATOM 0 HB ILE A 37 -4.837 -4.822 -0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.500 -2.946 -0.143 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.436 -2.923 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -3.382 -4.573 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.043 -4.041 -2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.765 -2.837 -2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.630 -4.622 1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.228 -5.404 1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.278 -5.427 0.020 1.00 0.00 H new ATOM 557 N CYS A 38 -6.234 -4.082 1.899 1.00 0.00 N ATOM 558 CA CYS A 38 -6.651 -4.248 3.319 1.00 0.00 C ATOM 559 C CYS A 38 -5.410 -4.497 4.186 1.00 0.00 C ATOM 560 O CYS A 38 -4.291 -4.361 3.734 1.00 0.00 O ATOM 561 CB CYS A 38 -7.636 -5.424 3.428 1.00 0.00 C ATOM 562 SG CYS A 38 -6.742 -7.001 3.460 1.00 0.00 S ATOM 0 H CYS A 38 -6.195 -4.943 1.353 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.148 -3.344 3.671 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.236 -5.321 4.332 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.326 -5.407 2.584 1.00 0.00 H new ATOM 567 N ARG A 39 -5.598 -4.856 5.427 1.00 0.00 N ATOM 568 CA ARG A 39 -4.425 -5.107 6.315 1.00 0.00 C ATOM 569 C ARG A 39 -4.019 -6.584 6.238 1.00 0.00 C ATOM 570 O ARG A 39 -2.854 -6.910 6.121 1.00 0.00 O ATOM 571 CB ARG A 39 -4.795 -4.753 7.757 1.00 0.00 C ATOM 572 CG ARG A 39 -4.269 -3.355 8.089 1.00 0.00 C ATOM 573 CD ARG A 39 -2.744 -3.397 8.203 1.00 0.00 C ATOM 574 NE ARG A 39 -2.263 -2.219 8.982 1.00 0.00 N ATOM 575 CZ ARG A 39 -2.949 -1.786 10.006 1.00 0.00 C ATOM 576 NH1 ARG A 39 -3.708 -0.731 9.883 1.00 0.00 N ATOM 577 NH2 ARG A 39 -2.875 -2.407 11.151 1.00 0.00 N ATOM 0 H ARG A 39 -6.510 -4.986 5.864 1.00 0.00 H new ATOM 0 HA ARG A 39 -3.588 -4.489 5.989 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.877 -4.786 7.885 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.370 -5.486 8.443 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.567 -2.649 7.314 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.705 -3.004 9.024 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.432 -4.320 8.692 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.296 -3.395 7.209 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.397 -1.751 8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.765 -0.245 8.988 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.244 -0.392 10.682 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.281 -3.231 11.247 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.411 -2.069 11.950 1.00 0.00 H new ATOM 591 N PHE A 40 -4.968 -7.478 6.304 1.00 0.00 N ATOM 592 CA PHE A 40 -4.634 -8.931 6.238 1.00 0.00 C ATOM 593 C PHE A 40 -3.843 -9.221 4.959 1.00 0.00 C ATOM 594 O PHE A 40 -3.207 -10.248 4.831 1.00 0.00 O ATOM 595 CB PHE A 40 -5.926 -9.753 6.231 1.00 0.00 C ATOM 596 CG PHE A 40 -6.615 -9.623 7.568 1.00 0.00 C ATOM 597 CD1 PHE A 40 -5.894 -9.825 8.751 1.00 0.00 C ATOM 598 CD2 PHE A 40 -7.976 -9.300 7.626 1.00 0.00 C ATOM 599 CE1 PHE A 40 -6.534 -9.705 9.991 1.00 0.00 C ATOM 600 CE2 PHE A 40 -8.617 -9.180 8.865 1.00 0.00 C ATOM 601 CZ PHE A 40 -7.895 -9.382 10.048 1.00 0.00 C ATOM 0 H PHE A 40 -5.961 -7.266 6.401 1.00 0.00 H new ATOM 0 HA PHE A 40 -4.033 -9.201 7.106 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.585 -9.406 5.435 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -5.702 -10.800 6.026 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -4.844 -10.073 8.707 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -8.532 -9.143 6.714 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.978 -9.862 10.903 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -9.667 -8.932 8.908 1.00 0.00 H new ATOM 0 HZ PHE A 40 -8.388 -9.289 11.004 1.00 0.00 H new ATOM 611 N CYS A 41 -3.880 -8.326 4.009 1.00 0.00 N ATOM 612 CA CYS A 41 -3.131 -8.552 2.741 1.00 0.00 C ATOM 613 C CYS A 41 -1.713 -7.995 2.881 1.00 0.00 C ATOM 614 O CYS A 41 -0.747 -8.637 2.522 1.00 0.00 O ATOM 615 CB CYS A 41 -3.851 -7.846 1.589 1.00 0.00 C ATOM 616 SG CYS A 41 -5.050 -8.979 0.838 1.00 0.00 S ATOM 0 H CYS A 41 -4.397 -7.448 4.057 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.081 -9.621 2.533 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -4.359 -6.954 1.956 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -3.129 -7.517 0.842 1.00 0.00 H new ATOM 621 N TRP A 42 -1.579 -6.807 3.406 1.00 0.00 N ATOM 622 CA TRP A 42 -0.221 -6.216 3.572 1.00 0.00 C ATOM 623 C TRP A 42 0.523 -6.962 4.682 1.00 0.00 C ATOM 624 O TRP A 42 1.717 -6.811 4.854 1.00 0.00 O ATOM 625 CB TRP A 42 -0.344 -4.736 3.948 1.00 0.00 C ATOM 626 CG TRP A 42 0.996 -4.215 4.364 1.00 0.00 C ATOM 627 CD1 TRP A 42 1.979 -3.841 3.514 1.00 0.00 C ATOM 628 CD2 TRP A 42 1.516 -4.009 5.709 1.00 0.00 C ATOM 629 NE1 TRP A 42 3.069 -3.417 4.253 1.00 0.00 N ATOM 630 CE2 TRP A 42 2.833 -3.500 5.610 1.00 0.00 C ATOM 631 CE3 TRP A 42 0.979 -4.209 6.996 1.00 0.00 C ATOM 632 CZ2 TRP A 42 3.591 -3.202 6.744 1.00 0.00 C ATOM 633 CZ3 TRP A 42 1.738 -3.910 8.139 1.00 0.00 C ATOM 634 CH2 TRP A 42 3.042 -3.407 8.013 1.00 0.00 C ATOM 0 H TRP A 42 -2.350 -6.221 3.727 1.00 0.00 H new ATOM 0 HA TRP A 42 0.330 -6.305 2.636 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.721 -4.164 3.100 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.062 -4.614 4.759 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.922 -3.869 2.436 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.942 -3.083 3.844 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.024 -4.595 7.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.594 -2.816 6.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.316 -4.068 9.120 1.00 0.00 H new ATOM 0 HH2 TRP A 42 3.621 -3.178 8.896 1.00 0.00 H new ATOM 645 N HIS A 43 -0.175 -7.763 5.439 1.00 0.00 N ATOM 646 CA HIS A 43 0.489 -8.516 6.540 1.00 0.00 C ATOM 647 C HIS A 43 1.179 -9.758 5.969 1.00 0.00 C ATOM 648 O HIS A 43 1.810 -10.510 6.684 1.00 0.00 O ATOM 649 CB HIS A 43 -0.560 -8.946 7.567 1.00 0.00 C ATOM 650 CG HIS A 43 -0.669 -7.899 8.641 1.00 0.00 C ATOM 651 ND1 HIS A 43 -0.489 -8.196 9.982 1.00 0.00 N ATOM 652 CD2 HIS A 43 -0.938 -6.554 8.587 1.00 0.00 C ATOM 653 CE1 HIS A 43 -0.651 -7.055 10.675 1.00 0.00 C ATOM 654 NE2 HIS A 43 -0.926 -6.023 9.874 1.00 0.00 N ATOM 0 H HIS A 43 -1.177 -7.929 5.343 1.00 0.00 H new ATOM 0 HA HIS A 43 1.230 -7.877 7.020 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -1.525 -9.085 7.080 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.283 -9.905 8.006 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -0.273 -9.113 10.373 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.130 -5.993 7.684 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.569 -6.982 11.749 1.00 0.00 H new ATOM 662 N ARG A 44 1.063 -9.980 4.689 1.00 0.00 N ATOM 663 CA ARG A 44 1.713 -11.175 4.081 1.00 0.00 C ATOM 664 C ARG A 44 2.738 -10.724 3.038 1.00 0.00 C ATOM 665 O ARG A 44 3.756 -11.358 2.840 1.00 0.00 O ATOM 666 CB ARG A 44 0.648 -12.043 3.407 1.00 0.00 C ATOM 667 CG ARG A 44 0.349 -13.260 4.286 1.00 0.00 C ATOM 668 CD ARG A 44 -0.308 -12.803 5.590 1.00 0.00 C ATOM 669 NE ARG A 44 -0.305 -13.927 6.568 1.00 0.00 N ATOM 670 CZ ARG A 44 -0.448 -13.685 7.844 1.00 0.00 C ATOM 671 NH1 ARG A 44 0.597 -13.658 8.625 1.00 0.00 N ATOM 672 NH2 ARG A 44 -1.637 -13.470 8.336 1.00 0.00 N ATOM 0 H ARG A 44 0.547 -9.387 4.039 1.00 0.00 H new ATOM 0 HA ARG A 44 2.216 -11.751 4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.261 -11.464 3.248 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.995 -12.366 2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.309 -13.950 3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.271 -13.801 4.501 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.230 -11.948 6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.330 -12.475 5.399 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.191 -14.886 6.241 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.526 -13.826 8.239 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.485 -13.469 9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -2.453 -13.491 7.725 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -1.750 -13.281 9.332 1.00 0.00 H new ATOM 686 N ILE A 45 2.477 -9.635 2.368 1.00 0.00 N ATOM 687 CA ILE A 45 3.435 -9.145 1.337 1.00 0.00 C ATOM 688 C ILE A 45 4.693 -8.602 2.023 1.00 0.00 C ATOM 689 O ILE A 45 5.801 -8.823 1.576 1.00 0.00 O ATOM 690 CB ILE A 45 2.772 -8.034 0.521 1.00 0.00 C ATOM 691 CG1 ILE A 45 1.581 -8.607 -0.250 1.00 0.00 C ATOM 692 CG2 ILE A 45 3.782 -7.452 -0.468 1.00 0.00 C ATOM 693 CD1 ILE A 45 0.437 -7.591 -0.248 1.00 0.00 C ATOM 0 H ILE A 45 1.641 -9.063 2.490 1.00 0.00 H new ATOM 0 HA ILE A 45 3.714 -9.965 0.676 1.00 0.00 H new ATOM 0 HB ILE A 45 2.428 -7.249 1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.874 -8.839 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.253 -9.541 0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.308 -6.661 -1.049 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.632 -7.042 0.078 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.128 -8.238 -1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.412 -7.998 -0.797 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.138 -7.381 0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.769 -6.669 -0.725 1.00 0.00 H new ATOM 705 N ARG A 46 4.533 -7.891 3.106 1.00 0.00 N ATOM 706 CA ARG A 46 5.722 -7.339 3.815 1.00 0.00 C ATOM 707 C ARG A 46 6.300 -8.401 4.756 1.00 0.00 C ATOM 708 O ARG A 46 7.197 -8.135 5.530 1.00 0.00 O ATOM 709 CB ARG A 46 5.306 -6.114 4.632 1.00 0.00 C ATOM 710 CG ARG A 46 5.876 -4.848 3.988 1.00 0.00 C ATOM 711 CD ARG A 46 7.405 -4.894 4.036 1.00 0.00 C ATOM 712 NE ARG A 46 7.853 -5.206 5.424 1.00 0.00 N ATOM 713 CZ ARG A 46 7.719 -4.318 6.374 1.00 0.00 C ATOM 714 NH1 ARG A 46 7.475 -3.070 6.079 1.00 0.00 N ATOM 715 NH2 ARG A 46 7.830 -4.681 7.624 1.00 0.00 N ATOM 0 H ARG A 46 3.632 -7.669 3.530 1.00 0.00 H new ATOM 0 HA ARG A 46 6.476 -7.053 3.082 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.219 -6.050 4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 46 5.668 -6.208 5.656 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.536 -4.768 2.955 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.512 -3.965 4.513 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.778 -5.649 3.344 1.00 0.00 H new ATOM 0 HD3 ARG A 46 7.818 -3.937 3.716 1.00 0.00 H new ATOM 0 HE ARG A 46 8.265 -6.115 5.633 1.00 0.00 H new ATOM 0 HH11 ARG A 46 7.388 -2.784 5.104 1.00 0.00 H new ATOM 0 HH12 ARG A 46 7.371 -2.381 6.824 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.021 -5.656 7.857 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.726 -3.990 8.367 1.00 0.00 H new ATOM 729 N THR A 47 5.794 -9.604 4.695 1.00 0.00 N ATOM 730 CA THR A 47 6.317 -10.678 5.590 1.00 0.00 C ATOM 731 C THR A 47 6.567 -11.947 4.774 1.00 0.00 C ATOM 732 O THR A 47 7.693 -12.296 4.480 1.00 0.00 O ATOM 733 CB THR A 47 5.289 -10.970 6.687 1.00 0.00 C ATOM 734 OG1 THR A 47 5.009 -9.774 7.402 1.00 0.00 O ATOM 735 CG2 THR A 47 5.846 -12.022 7.648 1.00 0.00 C ATOM 0 H THR A 47 5.043 -9.889 4.066 1.00 0.00 H new ATOM 0 HA THR A 47 7.252 -10.350 6.044 1.00 0.00 H new ATOM 0 HB THR A 47 4.372 -11.347 6.233 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.350 -9.959 8.103 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.112 -12.228 8.427 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.059 -12.939 7.099 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.764 -11.650 8.103 1.00 0.00 H new ATOM 743 N ASP A 48 5.525 -12.642 4.409 1.00 0.00 N ATOM 744 CA ASP A 48 5.703 -13.889 3.613 1.00 0.00 C ATOM 745 C ASP A 48 6.698 -13.632 2.480 1.00 0.00 C ATOM 746 O ASP A 48 7.566 -14.438 2.207 1.00 0.00 O ATOM 747 CB ASP A 48 4.356 -14.313 3.024 1.00 0.00 C ATOM 748 CG ASP A 48 4.210 -15.832 3.126 1.00 0.00 C ATOM 749 OD1 ASP A 48 5.189 -16.480 3.457 1.00 0.00 O ATOM 750 OD2 ASP A 48 3.122 -16.320 2.871 1.00 0.00 O ATOM 0 H ASP A 48 4.558 -12.400 4.627 1.00 0.00 H new ATOM 0 HA ASP A 48 6.083 -14.682 4.257 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.543 -13.822 3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.288 -14.000 1.982 1.00 0.00 H new ATOM 755 N GLU A 49 6.580 -12.515 1.818 1.00 0.00 N ATOM 756 CA GLU A 49 7.520 -12.204 0.705 1.00 0.00 C ATOM 757 C GLU A 49 8.372 -10.989 1.084 1.00 0.00 C ATOM 758 O GLU A 49 8.705 -10.790 2.236 1.00 0.00 O ATOM 759 CB GLU A 49 6.719 -11.907 -0.567 1.00 0.00 C ATOM 760 CG GLU A 49 5.845 -10.671 -0.343 1.00 0.00 C ATOM 761 CD GLU A 49 4.667 -10.693 -1.317 1.00 0.00 C ATOM 762 OE1 GLU A 49 3.762 -11.483 -1.104 1.00 0.00 O ATOM 763 OE2 GLU A 49 4.687 -9.919 -2.259 1.00 0.00 O ATOM 0 H GLU A 49 5.872 -11.803 2.000 1.00 0.00 H new ATOM 0 HA GLU A 49 8.175 -13.057 0.525 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.396 -11.740 -1.405 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.097 -12.764 -0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.480 -10.652 0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.434 -9.765 -0.489 1.00 0.00 H new ATOM 770 N ASN A 50 8.732 -10.177 0.129 1.00 0.00 N ATOM 771 CA ASN A 50 9.566 -8.981 0.438 1.00 0.00 C ATOM 772 C ASN A 50 8.665 -7.818 0.859 1.00 0.00 C ATOM 773 O ASN A 50 8.937 -7.125 1.819 1.00 0.00 O ATOM 774 CB ASN A 50 10.359 -8.585 -0.810 1.00 0.00 C ATOM 775 CG ASN A 50 11.227 -7.364 -0.505 1.00 0.00 C ATOM 776 OD1 ASN A 50 11.150 -6.801 0.569 1.00 0.00 O ATOM 777 ND2 ASN A 50 12.055 -6.924 -1.414 1.00 0.00 N ATOM 0 H ASN A 50 8.484 -10.290 -0.854 1.00 0.00 H new ATOM 0 HA ASN A 50 10.252 -9.216 1.252 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.985 -9.416 -1.133 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.677 -8.362 -1.630 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.637 -6.108 -1.222 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.120 -7.396 -2.316 1.00 0.00 H new ATOM 784 N GLY A 51 7.596 -7.596 0.147 1.00 0.00 N ATOM 785 CA GLY A 51 6.682 -6.473 0.503 1.00 0.00 C ATOM 786 C GLY A 51 6.598 -5.499 -0.673 1.00 0.00 C ATOM 787 O GLY A 51 6.631 -4.295 -0.503 1.00 0.00 O ATOM 0 H GLY A 51 7.315 -8.143 -0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.691 -6.858 0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.048 -5.958 1.391 1.00 0.00 H new ATOM 791 N LEU A 52 6.498 -6.013 -1.868 1.00 0.00 N ATOM 792 CA LEU A 52 6.421 -5.122 -3.057 1.00 0.00 C ATOM 793 C LEU A 52 4.958 -4.873 -3.425 1.00 0.00 C ATOM 794 O LEU A 52 4.051 -5.407 -2.820 1.00 0.00 O ATOM 795 CB LEU A 52 7.125 -5.782 -4.244 1.00 0.00 C ATOM 796 CG LEU A 52 8.640 -5.757 -4.034 1.00 0.00 C ATOM 797 CD1 LEU A 52 9.338 -6.161 -5.334 1.00 0.00 C ATOM 798 CD2 LEU A 52 9.081 -4.345 -3.641 1.00 0.00 C ATOM 0 H LEU A 52 6.466 -7.012 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 52 6.906 -4.175 -2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.782 -6.811 -4.355 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.869 -5.260 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 52 8.907 -6.455 -3.240 1.00 0.00 H new ATOM 0 HD11 LEU A 52 10.418 -6.144 -5.188 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.026 -7.166 -5.617 1.00 0.00 H new ATOM 0 HD13 LEU A 52 9.068 -5.461 -6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.161 -4.329 -3.492 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.814 -3.646 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.583 -4.052 -2.717 1.00 0.00 H new ATOM 810 N CYS A 53 4.734 -4.065 -4.419 1.00 0.00 N ATOM 811 CA CYS A 53 3.341 -3.765 -4.857 1.00 0.00 C ATOM 812 C CYS A 53 2.923 -4.771 -5.940 1.00 0.00 C ATOM 813 O CYS A 53 3.583 -4.886 -6.954 1.00 0.00 O ATOM 814 CB CYS A 53 3.298 -2.346 -5.426 1.00 0.00 C ATOM 815 SG CYS A 53 1.612 -1.937 -5.939 1.00 0.00 S ATOM 0 H CYS A 53 5.463 -3.593 -4.954 1.00 0.00 H new ATOM 0 HA CYS A 53 2.657 -3.842 -4.012 1.00 0.00 H new ATOM 0 HB2 CYS A 53 3.642 -1.634 -4.676 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.975 -2.265 -6.276 1.00 0.00 H new ATOM 820 N PRO A 54 1.845 -5.477 -5.696 1.00 0.00 N ATOM 821 CA PRO A 54 1.329 -6.486 -6.640 1.00 0.00 C ATOM 822 C PRO A 54 0.529 -5.825 -7.770 1.00 0.00 C ATOM 823 O PRO A 54 -0.180 -6.485 -8.503 1.00 0.00 O ATOM 824 CB PRO A 54 0.414 -7.352 -5.770 1.00 0.00 C ATOM 825 CG PRO A 54 0.007 -6.478 -4.558 1.00 0.00 C ATOM 826 CD PRO A 54 1.044 -5.343 -4.461 1.00 0.00 C ATOM 0 HA PRO A 54 2.123 -7.053 -7.127 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.465 -7.673 -6.330 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.930 -8.254 -5.442 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.997 -6.074 -4.692 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -0.006 -7.069 -3.642 1.00 0.00 H new ATOM 0 HD2 PRO A 54 0.562 -4.367 -4.403 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.665 -5.446 -3.571 1.00 0.00 H new ATOM 834 N ALA A 55 0.628 -4.531 -7.917 1.00 0.00 N ATOM 835 CA ALA A 55 -0.139 -3.852 -9.000 1.00 0.00 C ATOM 836 C ALA A 55 0.814 -3.071 -9.908 1.00 0.00 C ATOM 837 O ALA A 55 0.661 -3.055 -11.113 1.00 0.00 O ATOM 838 CB ALA A 55 -1.152 -2.890 -8.379 1.00 0.00 C ATOM 0 H ALA A 55 1.203 -3.919 -7.338 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.660 -4.604 -9.593 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.714 -2.393 -9.170 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.839 -3.447 -7.741 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.627 -2.144 -7.783 1.00 0.00 H new ATOM 844 N CYS A 56 1.793 -2.417 -9.345 1.00 0.00 N ATOM 845 CA CYS A 56 2.744 -1.637 -10.187 1.00 0.00 C ATOM 846 C CYS A 56 4.170 -2.166 -9.986 1.00 0.00 C ATOM 847 O CYS A 56 5.078 -1.827 -10.719 1.00 0.00 O ATOM 848 CB CYS A 56 2.662 -0.150 -9.803 1.00 0.00 C ATOM 849 SG CYS A 56 3.639 0.178 -8.311 1.00 0.00 S ATOM 0 H CYS A 56 1.975 -2.389 -8.342 1.00 0.00 H new ATOM 0 HA CYS A 56 2.479 -1.747 -11.239 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.027 0.464 -10.626 1.00 0.00 H new ATOM 0 HB3 CYS A 56 1.623 0.131 -9.633 1.00 0.00 H new ATOM 854 N ARG A 57 4.369 -2.996 -8.997 1.00 0.00 N ATOM 855 CA ARG A 57 5.731 -3.553 -8.744 1.00 0.00 C ATOM 856 C ARG A 57 6.638 -2.469 -8.158 1.00 0.00 C ATOM 857 O ARG A 57 7.486 -1.919 -8.833 1.00 0.00 O ATOM 858 CB ARG A 57 6.333 -4.070 -10.050 1.00 0.00 C ATOM 859 CG ARG A 57 6.846 -5.497 -9.844 1.00 0.00 C ATOM 860 CD ARG A 57 5.925 -6.484 -10.563 1.00 0.00 C ATOM 861 NE ARG A 57 6.198 -7.865 -10.075 1.00 0.00 N ATOM 862 CZ ARG A 57 5.293 -8.505 -9.388 1.00 0.00 C ATOM 863 NH1 ARG A 57 4.455 -7.844 -8.637 1.00 0.00 N ATOM 864 NH2 ARG A 57 5.223 -9.806 -9.453 1.00 0.00 N ATOM 0 H ARG A 57 3.646 -3.313 -8.352 1.00 0.00 H new ATOM 0 HA ARG A 57 5.648 -4.376 -8.034 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.583 -4.052 -10.841 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.149 -3.421 -10.369 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.862 -5.587 -10.227 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.885 -5.730 -8.780 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.882 -6.223 -10.382 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.085 -6.429 -11.640 1.00 0.00 H new ATOM 0 HE ARG A 57 7.093 -8.310 -10.278 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.508 -6.827 -8.587 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.747 -8.345 -8.100 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.876 -10.323 -10.041 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.515 -10.306 -8.915 1.00 0.00 H new ATOM 878 N LYS A 58 6.469 -2.167 -6.903 1.00 0.00 N ATOM 879 CA LYS A 58 7.319 -1.133 -6.251 1.00 0.00 C ATOM 880 C LYS A 58 7.380 -1.426 -4.750 1.00 0.00 C ATOM 881 O LYS A 58 6.453 -1.976 -4.192 1.00 0.00 O ATOM 882 CB LYS A 58 6.714 0.253 -6.484 1.00 0.00 C ATOM 883 CG LYS A 58 7.569 1.017 -7.498 1.00 0.00 C ATOM 884 CD LYS A 58 6.791 2.228 -8.014 1.00 0.00 C ATOM 885 CE LYS A 58 7.770 3.332 -8.419 1.00 0.00 C ATOM 886 NZ LYS A 58 7.010 4.576 -8.732 1.00 0.00 N ATOM 0 H LYS A 58 5.772 -2.596 -6.295 1.00 0.00 H new ATOM 0 HA LYS A 58 8.323 -1.155 -6.674 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.692 0.159 -6.851 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.666 0.803 -5.544 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.500 1.341 -7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.838 0.364 -8.328 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.177 1.942 -8.868 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.114 2.594 -7.242 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.479 3.519 -7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.350 3.019 -9.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.673 5.328 -9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.350 4.392 -9.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 6.475 4.877 -7.892 1.00 0.00 H new ATOM 900 N PRO A 59 8.472 -1.059 -4.137 1.00 0.00 N ATOM 901 CA PRO A 59 8.678 -1.288 -2.699 1.00 0.00 C ATOM 902 C PRO A 59 7.829 -0.319 -1.869 1.00 0.00 C ATOM 903 O PRO A 59 7.950 0.885 -1.980 1.00 0.00 O ATOM 904 CB PRO A 59 10.177 -1.035 -2.504 1.00 0.00 C ATOM 905 CG PRO A 59 10.626 -0.152 -3.693 1.00 0.00 C ATOM 906 CD PRO A 59 9.592 -0.373 -4.814 1.00 0.00 C ATOM 0 HA PRO A 59 8.381 -2.286 -2.376 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.367 -0.534 -1.554 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.731 -1.974 -2.486 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.666 0.898 -3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.626 -0.429 -4.027 1.00 0.00 H new ATOM 0 HD2 PRO A 59 9.273 0.572 -5.255 1.00 0.00 H new ATOM 0 HD3 PRO A 59 10.002 -0.980 -5.621 1.00 0.00 H new ATOM 914 N TYR A 60 6.966 -0.846 -1.040 1.00 0.00 N ATOM 915 CA TYR A 60 6.097 0.028 -0.198 1.00 0.00 C ATOM 916 C TYR A 60 6.917 1.197 0.352 1.00 0.00 C ATOM 917 O TYR A 60 8.102 1.064 0.586 1.00 0.00 O ATOM 918 CB TYR A 60 5.537 -0.792 0.966 1.00 0.00 C ATOM 919 CG TYR A 60 4.759 -1.974 0.433 1.00 0.00 C ATOM 920 CD1 TYR A 60 4.257 -1.957 -0.875 1.00 0.00 C ATOM 921 CD2 TYR A 60 4.537 -3.088 1.251 1.00 0.00 C ATOM 922 CE1 TYR A 60 3.534 -3.053 -1.363 1.00 0.00 C ATOM 923 CE2 TYR A 60 3.814 -4.183 0.764 1.00 0.00 C ATOM 924 CZ TYR A 60 3.313 -4.165 -0.544 1.00 0.00 C ATOM 925 OH TYR A 60 2.596 -5.241 -1.024 1.00 0.00 O ATOM 0 H TYR A 60 6.825 -1.848 -0.910 1.00 0.00 H new ATOM 0 HA TYR A 60 5.278 0.417 -0.803 1.00 0.00 H new ATOM 0 HB2 TYR A 60 6.351 -1.138 1.603 1.00 0.00 H new ATOM 0 HB3 TYR A 60 4.891 -0.169 1.584 1.00 0.00 H new ATOM 0 HD1 TYR A 60 4.428 -1.098 -1.507 1.00 0.00 H new ATOM 0 HD2 TYR A 60 4.924 -3.103 2.259 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.147 -3.039 -2.371 1.00 0.00 H new ATOM 0 HE2 TYR A 60 3.642 -5.041 1.396 1.00 0.00 H new ATOM 0 HH TYR A 60 2.881 -5.441 -1.940 1.00 0.00 H new ATOM 935 N PRO A 61 6.257 2.313 0.545 1.00 0.00 N ATOM 936 CA PRO A 61 6.896 3.531 1.071 1.00 0.00 C ATOM 937 C PRO A 61 7.014 3.459 2.600 1.00 0.00 C ATOM 938 O PRO A 61 6.775 4.428 3.294 1.00 0.00 O ATOM 939 CB PRO A 61 5.932 4.645 0.657 1.00 0.00 C ATOM 940 CG PRO A 61 4.553 3.975 0.443 1.00 0.00 C ATOM 941 CD PRO A 61 4.816 2.469 0.247 1.00 0.00 C ATOM 0 HA PRO A 61 7.908 3.681 0.694 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.874 5.414 1.427 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.272 5.133 -0.256 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.903 4.146 1.301 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.049 4.396 -0.427 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.203 1.867 0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.583 2.152 -0.770 1.00 0.00 H new ATOM 949 N GLU A 62 7.374 2.321 3.129 1.00 0.00 N ATOM 950 CA GLU A 62 7.500 2.195 4.610 1.00 0.00 C ATOM 951 C GLU A 62 8.978 2.215 5.001 1.00 0.00 C ATOM 952 O GLU A 62 9.599 1.185 5.174 1.00 0.00 O ATOM 953 CB GLU A 62 6.868 0.878 5.065 1.00 0.00 C ATOM 954 CG GLU A 62 5.347 0.965 4.921 1.00 0.00 C ATOM 955 CD GLU A 62 4.678 0.295 6.123 1.00 0.00 C ATOM 956 OE1 GLU A 62 5.395 -0.146 7.005 1.00 0.00 O ATOM 957 OE2 GLU A 62 3.460 0.233 6.139 1.00 0.00 O ATOM 0 H GLU A 62 7.586 1.474 2.601 1.00 0.00 H new ATOM 0 HA GLU A 62 6.988 3.029 5.090 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.254 0.052 4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.135 0.674 6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.037 2.008 4.854 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.031 0.479 3.998 1.00 0.00 H new ATOM 964 N ASP A 63 9.547 3.381 5.143 1.00 0.00 N ATOM 965 CA ASP A 63 10.986 3.470 5.524 1.00 0.00 C ATOM 966 C ASP A 63 11.175 4.608 6.535 1.00 0.00 C ATOM 967 O ASP A 63 11.170 5.765 6.165 1.00 0.00 O ATOM 968 CB ASP A 63 11.824 3.756 4.276 1.00 0.00 C ATOM 969 CG ASP A 63 12.183 2.438 3.587 1.00 0.00 C ATOM 970 OD1 ASP A 63 11.627 1.422 3.969 1.00 0.00 O ATOM 971 OD2 ASP A 63 13.009 2.468 2.690 1.00 0.00 O ATOM 0 H ASP A 63 9.077 4.277 5.012 1.00 0.00 H new ATOM 0 HA ASP A 63 11.305 2.528 5.970 1.00 0.00 H new ATOM 0 HB2 ASP A 63 11.268 4.397 3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 63 12.732 4.294 4.550 1.00 0.00 H new ATOM 976 N PRO A 64 11.337 4.247 7.784 1.00 0.00 N ATOM 977 CA PRO A 64 11.531 5.223 8.871 1.00 0.00 C ATOM 978 C PRO A 64 12.966 5.759 8.863 1.00 0.00 C ATOM 979 O PRO A 64 13.362 6.513 9.731 1.00 0.00 O ATOM 980 CB PRO A 64 11.256 4.409 10.139 1.00 0.00 C ATOM 981 CG PRO A 64 11.479 2.925 9.762 1.00 0.00 C ATOM 982 CD PRO A 64 11.345 2.837 8.230 1.00 0.00 C ATOM 0 HA PRO A 64 10.884 6.096 8.783 1.00 0.00 H new ATOM 0 HB2 PRO A 64 11.924 4.709 10.946 1.00 0.00 H new ATOM 0 HB3 PRO A 64 10.237 4.571 10.492 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.463 2.587 10.085 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.745 2.286 10.253 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.175 2.285 7.789 1.00 0.00 H new ATOM 0 HD3 PRO A 64 10.429 2.322 7.939 1.00 0.00 H new ATOM 990 N ALA A 65 13.748 5.380 7.890 1.00 0.00 N ATOM 991 CA ALA A 65 15.154 5.871 7.828 1.00 0.00 C ATOM 992 C ALA A 65 15.975 5.205 8.934 1.00 0.00 C ATOM 993 O ALA A 65 16.647 5.863 9.703 1.00 0.00 O ATOM 994 CB ALA A 65 15.174 7.389 8.021 1.00 0.00 C ATOM 0 H ALA A 65 13.474 4.751 7.135 1.00 0.00 H new ATOM 0 HA ALA A 65 15.583 5.623 6.857 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.202 7.748 7.976 1.00 0.00 H new ATOM 0 HB2 ALA A 65 14.589 7.864 7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.745 7.638 8.992 1.00 0.00 H new ATOM 1000 N VAL A 66 15.926 3.903 9.020 1.00 0.00 N ATOM 1001 CA VAL A 66 16.705 3.197 10.076 1.00 0.00 C ATOM 1002 C VAL A 66 17.277 1.898 9.504 1.00 0.00 C ATOM 1003 O VAL A 66 18.473 1.683 9.504 1.00 0.00 O ATOM 1004 CB VAL A 66 15.790 2.874 11.259 1.00 0.00 C ATOM 1005 CG1 VAL A 66 16.639 2.446 12.457 1.00 0.00 C ATOM 1006 CG2 VAL A 66 14.977 4.117 11.627 1.00 0.00 C ATOM 0 H VAL A 66 15.381 3.299 8.405 1.00 0.00 H new ATOM 0 HA VAL A 66 17.520 3.837 10.414 1.00 0.00 H new ATOM 0 HB VAL A 66 15.113 2.064 10.986 1.00 0.00 H new ATOM 0 HG11 VAL A 66 15.988 2.216 13.300 1.00 0.00 H new ATOM 0 HG12 VAL A 66 17.219 1.562 12.194 1.00 0.00 H new ATOM 0 HG13 VAL A 66 17.316 3.255 12.731 1.00 0.00 H new ATOM 0 HG21 VAL A 66 14.324 3.889 12.470 1.00 0.00 H new ATOM 0 HG22 VAL A 66 15.654 4.926 11.901 1.00 0.00 H new ATOM 0 HG23 VAL A 66 14.373 4.423 10.773 1.00 0.00 H new ATOM 1016 N TYR A 67 16.434 1.029 9.017 1.00 0.00 N ATOM 1017 CA TYR A 67 16.932 -0.255 8.446 1.00 0.00 C ATOM 1018 C TYR A 67 16.644 -0.294 6.943 1.00 0.00 C ATOM 1019 O TYR A 67 15.505 -0.264 6.518 1.00 0.00 O ATOM 1020 CB TYR A 67 16.225 -1.427 9.131 1.00 0.00 C ATOM 1021 CG TYR A 67 17.140 -2.032 10.170 1.00 0.00 C ATOM 1022 CD1 TYR A 67 17.443 -1.322 11.337 1.00 0.00 C ATOM 1023 CD2 TYR A 67 17.685 -3.305 9.964 1.00 0.00 C ATOM 1024 CE1 TYR A 67 18.290 -1.884 12.300 1.00 0.00 C ATOM 1025 CE2 TYR A 67 18.532 -3.868 10.926 1.00 0.00 C ATOM 1026 CZ TYR A 67 18.835 -3.158 12.093 1.00 0.00 C ATOM 1027 OH TYR A 67 19.670 -3.713 13.042 1.00 0.00 O ATOM 0 H TYR A 67 15.422 1.152 8.990 1.00 0.00 H new ATOM 0 HA TYR A 67 18.007 -0.331 8.611 1.00 0.00 H new ATOM 0 HB2 TYR A 67 15.302 -1.085 9.599 1.00 0.00 H new ATOM 0 HB3 TYR A 67 15.948 -2.180 8.393 1.00 0.00 H new ATOM 0 HD1 TYR A 67 17.023 -0.340 11.495 1.00 0.00 H new ATOM 0 HD2 TYR A 67 17.452 -3.853 9.063 1.00 0.00 H new ATOM 0 HE1 TYR A 67 18.523 -1.336 13.201 1.00 0.00 H new ATOM 0 HE2 TYR A 67 18.952 -4.850 10.767 1.00 0.00 H new ATOM 0 HH TYR A 67 19.960 -4.600 12.744 1.00 0.00 H new ATOM 1037 N LYS A 68 17.668 -0.361 6.134 1.00 0.00 N ATOM 1038 CA LYS A 68 17.456 -0.404 4.658 1.00 0.00 C ATOM 1039 C LYS A 68 18.776 -0.106 3.937 1.00 0.00 C ATOM 1040 O LYS A 68 19.195 -0.862 3.083 1.00 0.00 O ATOM 1041 CB LYS A 68 16.410 0.638 4.252 1.00 0.00 C ATOM 1042 CG LYS A 68 15.210 -0.067 3.615 1.00 0.00 C ATOM 1043 CD LYS A 68 15.263 0.107 2.096 1.00 0.00 C ATOM 1044 CE LYS A 68 15.813 -1.167 1.453 1.00 0.00 C ATOM 1045 NZ LYS A 68 17.146 -0.883 0.850 1.00 0.00 N ATOM 0 H LYS A 68 18.643 -0.388 6.432 1.00 0.00 H new ATOM 0 HA LYS A 68 17.104 -1.397 4.379 1.00 0.00 H new ATOM 0 HB2 LYS A 68 16.090 1.207 5.125 1.00 0.00 H new ATOM 0 HB3 LYS A 68 16.843 1.349 3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 68 15.219 -1.127 3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 68 14.281 0.347 4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 68 14.267 0.321 1.709 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.894 0.958 1.839 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.900 -1.956 2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 68 15.125 -1.527 0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 17.384 -1.629 0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 17.119 0.036 0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 17.867 -0.858 1.599 1.00 0.00 H new ATOM 1059 N PRO A 69 19.393 0.993 4.299 1.00 0.00 N ATOM 1060 CA PRO A 69 20.669 1.421 3.698 1.00 0.00 C ATOM 1061 C PRO A 69 21.836 0.625 4.292 1.00 0.00 C ATOM 1062 O PRO A 69 22.457 -0.176 3.622 1.00 0.00 O ATOM 1063 CB PRO A 69 20.768 2.899 4.079 1.00 0.00 C ATOM 1064 CG PRO A 69 19.868 3.091 5.322 1.00 0.00 C ATOM 1065 CD PRO A 69 18.879 1.909 5.339 1.00 0.00 C ATOM 0 HA PRO A 69 20.710 1.260 2.621 1.00 0.00 H new ATOM 0 HB2 PRO A 69 21.799 3.175 4.300 1.00 0.00 H new ATOM 0 HB3 PRO A 69 20.437 3.535 3.258 1.00 0.00 H new ATOM 0 HG2 PRO A 69 20.466 3.109 6.233 1.00 0.00 H new ATOM 0 HG3 PRO A 69 19.335 4.041 5.271 1.00 0.00 H new ATOM 0 HD2 PRO A 69 18.851 1.427 6.316 1.00 0.00 H new ATOM 0 HD3 PRO A 69 17.863 2.236 5.116 1.00 0.00 H new ATOM 1073 N LEU A 70 22.138 0.841 5.543 1.00 0.00 N ATOM 1074 CA LEU A 70 23.264 0.099 6.176 1.00 0.00 C ATOM 1075 C LEU A 70 24.562 0.407 5.430 1.00 0.00 C ATOM 1076 O LEU A 70 25.502 -0.363 5.451 1.00 0.00 O ATOM 1077 CB LEU A 70 22.985 -1.404 6.114 1.00 0.00 C ATOM 1078 CG LEU A 70 22.724 -1.935 7.525 1.00 0.00 C ATOM 1079 CD1 LEU A 70 23.883 -1.540 8.443 1.00 0.00 C ATOM 1080 CD2 LEU A 70 21.423 -1.334 8.061 1.00 0.00 C ATOM 0 H LEU A 70 21.654 1.499 6.154 1.00 0.00 H new ATOM 0 HA LEU A 70 23.361 0.408 7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 70 22.123 -1.598 5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 70 23.834 -1.924 5.670 1.00 0.00 H new ATOM 0 HG LEU A 70 22.640 -3.021 7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 70 23.696 -1.919 9.448 1.00 0.00 H new ATOM 0 HD12 LEU A 70 24.811 -1.966 8.061 1.00 0.00 H new ATOM 0 HD13 LEU A 70 23.968 -0.454 8.474 1.00 0.00 H new ATOM 0 HD21 LEU A 70 21.235 -1.711 9.066 1.00 0.00 H new ATOM 0 HD22 LEU A 70 21.509 -0.248 8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 70 20.597 -1.614 7.408 1.00 0.00 H new ATOM 1092 N SER A 71 24.621 1.531 4.772 1.00 0.00 N ATOM 1093 CA SER A 71 25.856 1.897 4.023 1.00 0.00 C ATOM 1094 C SER A 71 26.281 0.725 3.134 1.00 0.00 C ATOM 1095 O SER A 71 25.864 0.613 1.999 1.00 0.00 O ATOM 1096 CB SER A 71 26.977 2.221 5.013 1.00 0.00 C ATOM 1097 OG SER A 71 26.635 1.704 6.293 1.00 0.00 O ATOM 0 H SER A 71 23.865 2.214 4.720 1.00 0.00 H new ATOM 0 HA SER A 71 25.658 2.770 3.401 1.00 0.00 H new ATOM 0 HB2 SER A 71 27.917 1.787 4.671 1.00 0.00 H new ATOM 0 HB3 SER A 71 27.127 3.299 5.071 1.00 0.00 H new ATOM 0 HG SER A 71 27.351 1.908 6.930 1.00 0.00 H new ATOM 1103 N GLN A 72 27.109 -0.149 3.640 1.00 0.00 N ATOM 1104 CA GLN A 72 27.558 -1.310 2.822 1.00 0.00 C ATOM 1105 C GLN A 72 27.192 -2.612 3.539 1.00 0.00 C ATOM 1106 O GLN A 72 27.430 -2.769 4.720 1.00 0.00 O ATOM 1107 CB GLN A 72 29.073 -1.241 2.628 1.00 0.00 C ATOM 1108 CG GLN A 72 29.399 -0.259 1.502 1.00 0.00 C ATOM 1109 CD GLN A 72 30.603 0.596 1.899 1.00 0.00 C ATOM 1110 OE1 GLN A 72 30.565 1.805 1.790 1.00 0.00 O ATOM 1111 NE2 GLN A 72 31.678 0.016 2.360 1.00 0.00 N ATOM 0 H GLN A 72 27.493 -0.108 4.584 1.00 0.00 H new ATOM 0 HA GLN A 72 27.066 -1.282 1.850 1.00 0.00 H new ATOM 0 HB2 GLN A 72 29.555 -0.923 3.553 1.00 0.00 H new ATOM 0 HB3 GLN A 72 29.465 -2.229 2.388 1.00 0.00 H new ATOM 0 HG2 GLN A 72 29.614 -0.803 0.582 1.00 0.00 H new ATOM 0 HG3 GLN A 72 28.538 0.378 1.301 1.00 0.00 H new ATOM 0 HE21 GLN A 72 31.710 -0.999 2.452 1.00 0.00 H new ATOM 0 HE22 GLN A 72 32.486 0.578 2.629 1.00 0.00 H new ATOM 1120 N GLU A 73 26.616 -3.547 2.833 1.00 0.00 N ATOM 1121 CA GLU A 73 26.235 -4.837 3.476 1.00 0.00 C ATOM 1122 C GLU A 73 26.303 -5.966 2.445 1.00 0.00 C ATOM 1123 O GLU A 73 25.491 -6.870 2.447 1.00 0.00 O ATOM 1124 CB GLU A 73 24.810 -4.733 4.022 1.00 0.00 C ATOM 1125 CG GLU A 73 23.829 -4.562 2.860 1.00 0.00 C ATOM 1126 CD GLU A 73 22.893 -3.387 3.149 1.00 0.00 C ATOM 1127 OE1 GLU A 73 23.264 -2.268 2.838 1.00 0.00 O ATOM 1128 OE2 GLU A 73 21.820 -3.627 3.678 1.00 0.00 O ATOM 0 H GLU A 73 26.393 -3.474 1.840 1.00 0.00 H new ATOM 0 HA GLU A 73 26.925 -5.051 4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 73 24.562 -5.628 4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 73 24.732 -3.887 4.705 1.00 0.00 H new ATOM 0 HG2 GLU A 73 24.375 -4.386 1.933 1.00 0.00 H new ATOM 0 HG3 GLU A 73 23.251 -5.475 2.721 1.00 0.00 H new ATOM 1135 N GLU A 74 27.264 -5.921 1.564 1.00 0.00 N ATOM 1136 CA GLU A 74 27.380 -6.994 0.537 1.00 0.00 C ATOM 1137 C GLU A 74 28.433 -8.013 0.979 1.00 0.00 C ATOM 1138 O GLU A 74 29.301 -7.718 1.778 1.00 0.00 O ATOM 1139 CB GLU A 74 27.798 -6.377 -0.800 1.00 0.00 C ATOM 1140 CG GLU A 74 26.552 -6.073 -1.636 1.00 0.00 C ATOM 1141 CD GLU A 74 26.964 -5.362 -2.927 1.00 0.00 C ATOM 1142 OE1 GLU A 74 28.124 -5.000 -3.035 1.00 0.00 O ATOM 1143 OE2 GLU A 74 26.113 -5.191 -3.783 1.00 0.00 O ATOM 0 H GLU A 74 27.973 -5.189 1.511 1.00 0.00 H new ATOM 0 HA GLU A 74 26.417 -7.493 0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 74 28.366 -5.462 -0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 74 28.452 -7.062 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 74 26.024 -6.997 -1.870 1.00 0.00 H new ATOM 0 HG3 GLU A 74 25.864 -5.448 -1.068 1.00 0.00 H new ATOM 1150 N LEU A 75 28.367 -9.212 0.465 1.00 0.00 N ATOM 1151 CA LEU A 75 29.364 -10.250 0.854 1.00 0.00 C ATOM 1152 C LEU A 75 29.338 -11.387 -0.169 1.00 0.00 C ATOM 1153 O LEU A 75 28.309 -11.705 -0.732 1.00 0.00 O ATOM 1154 CB LEU A 75 29.027 -10.803 2.244 1.00 0.00 C ATOM 1155 CG LEU A 75 27.516 -10.731 2.482 1.00 0.00 C ATOM 1156 CD1 LEU A 75 27.024 -12.064 3.051 1.00 0.00 C ATOM 1157 CD2 LEU A 75 27.212 -9.611 3.480 1.00 0.00 C ATOM 0 H LEU A 75 27.664 -9.517 -0.208 1.00 0.00 H new ATOM 0 HA LEU A 75 30.358 -9.803 0.879 1.00 0.00 H new ATOM 0 HB2 LEU A 75 29.368 -11.835 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 75 29.552 -10.231 3.009 1.00 0.00 H new ATOM 0 HG LEU A 75 27.009 -10.529 1.539 1.00 0.00 H new ATOM 0 HD11 LEU A 75 25.948 -12.013 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 75 27.242 -12.864 2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 75 27.531 -12.266 3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 75 26.137 -9.558 3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 75 27.720 -9.816 4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 75 27.563 -8.660 3.078 1.00 0.00 H new ATOM 1169 N GLN A 76 30.462 -12.002 -0.414 1.00 0.00 N ATOM 1170 CA GLN A 76 30.501 -13.117 -1.402 1.00 0.00 C ATOM 1171 C GLN A 76 31.511 -14.172 -0.943 1.00 0.00 C ATOM 1172 O GLN A 76 32.035 -14.929 -1.736 1.00 0.00 O ATOM 1173 CB GLN A 76 30.924 -12.570 -2.767 1.00 0.00 C ATOM 1174 CG GLN A 76 31.917 -11.420 -2.574 1.00 0.00 C ATOM 1175 CD GLN A 76 32.777 -11.269 -3.829 1.00 0.00 C ATOM 1176 OE1 GLN A 76 32.662 -12.044 -4.757 1.00 0.00 O ATOM 1177 NE2 GLN A 76 33.643 -10.294 -3.898 1.00 0.00 N ATOM 0 H GLN A 76 31.355 -11.781 0.027 1.00 0.00 H new ATOM 0 HA GLN A 76 29.512 -13.570 -1.479 1.00 0.00 H new ATOM 0 HB2 GLN A 76 31.380 -13.361 -3.362 1.00 0.00 H new ATOM 0 HB3 GLN A 76 30.050 -12.221 -3.317 1.00 0.00 H new ATOM 0 HG2 GLN A 76 31.380 -10.492 -2.375 1.00 0.00 H new ATOM 0 HG3 GLN A 76 32.550 -11.614 -1.708 1.00 0.00 H new ATOM 0 HE21 GLN A 76 33.741 -9.642 -3.119 1.00 0.00 H new ATOM 0 HE22 GLN A 76 34.222 -10.184 -4.731 1.00 0.00 H new ATOM 1186 N ARG A 77 31.791 -14.225 0.331 1.00 0.00 N ATOM 1187 CA ARG A 77 32.768 -15.230 0.836 1.00 0.00 C ATOM 1188 C ARG A 77 32.080 -16.160 1.837 1.00 0.00 C ATOM 1189 O ARG A 77 32.334 -17.347 1.872 1.00 0.00 O ATOM 1190 CB ARG A 77 33.926 -14.509 1.529 1.00 0.00 C ATOM 1191 CG ARG A 77 35.244 -15.197 1.171 1.00 0.00 C ATOM 1192 CD ARG A 77 35.692 -14.750 -0.222 1.00 0.00 C ATOM 1193 NE ARG A 77 36.065 -15.944 -1.030 1.00 0.00 N ATOM 1194 CZ ARG A 77 36.670 -15.792 -2.176 1.00 0.00 C ATOM 1195 NH1 ARG A 77 37.973 -15.803 -2.233 1.00 0.00 N ATOM 1196 NH2 ARG A 77 35.970 -15.628 -3.266 1.00 0.00 N ATOM 0 H ARG A 77 31.386 -13.617 1.042 1.00 0.00 H new ATOM 0 HA ARG A 77 33.148 -15.816 -0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 77 33.954 -13.464 1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 77 33.780 -14.519 2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 77 36.008 -14.948 1.907 1.00 0.00 H new ATOM 0 HG3 ARG A 77 35.119 -16.280 1.194 1.00 0.00 H new ATOM 0 HD2 ARG A 77 34.890 -14.200 -0.715 1.00 0.00 H new ATOM 0 HD3 ARG A 77 36.541 -14.072 -0.142 1.00 0.00 H new ATOM 0 HE ARG A 77 35.848 -16.880 -0.688 1.00 0.00 H new ATOM 0 HH11 ARG A 77 38.520 -15.931 -1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 77 38.445 -15.684 -3.129 1.00 0.00 H new ATOM 0 HH21 ARG A 77 34.951 -15.619 -3.221 1.00 0.00 H new ATOM 0 HH22 ARG A 77 36.442 -15.509 -4.162 1.00 0.00 H new ATOM 1210 N ILE A 78 31.210 -15.629 2.651 1.00 0.00 N ATOM 1211 CA ILE A 78 30.508 -16.483 3.650 1.00 0.00 C ATOM 1212 C ILE A 78 28.995 -16.347 3.467 1.00 0.00 C ATOM 1213 O ILE A 78 28.491 -16.851 2.477 1.00 0.00 O ATOM 1214 CB ILE A 78 30.896 -16.037 5.061 1.00 0.00 C ATOM 1215 CG1 ILE A 78 32.356 -15.574 5.064 1.00 0.00 C ATOM 1216 CG2 ILE A 78 30.732 -17.207 6.032 1.00 0.00 C ATOM 1217 CD1 ILE A 78 32.765 -15.178 6.483 1.00 0.00 C ATOM 1218 OXT ILE A 78 28.367 -15.740 4.318 1.00 0.00 O ATOM 0 H ILE A 78 30.955 -14.642 2.668 1.00 0.00 H new ATOM 0 HA ILE A 78 30.796 -17.524 3.506 1.00 0.00 H new ATOM 0 HB ILE A 78 30.251 -15.215 5.372 1.00 0.00 H new ATOM 0 HG12 ILE A 78 33.002 -16.372 4.698 1.00 0.00 H new ATOM 0 HG13 ILE A 78 32.481 -14.727 4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 78 31.009 -16.888 7.037 1.00 0.00 H new ATOM 0 HG22 ILE A 78 29.694 -17.539 6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 78 31.376 -18.030 5.722 1.00 0.00 H new ATOM 0 HD11 ILE A 78 33.804 -14.849 6.484 1.00 0.00 H new ATOM 0 HD12 ILE A 78 32.127 -14.366 6.832 1.00 0.00 H new ATOM 0 HD13 ILE A 78 32.656 -16.036 7.146 1.00 0.00 H new TER 1230 ILE A 78 HETATM 1231 ZN ZN A 79 -7.018 -7.910 1.364 1.00 0.00 ZN HETATM 1232 ZN ZN A 80 2.130 0.211 -6.573 1.00 0.00 ZN