USER MOD reduce.3.24.130724 H: found=0, std=0, add=721, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 717 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 CYS SG : rot 112:sc= 0.119 USER MOD Set 1.2: A 11 GLN : amide:sc= 0.76 K(o=0.88,f=-0.58) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 0 (180deg=-0.166) USER MOD Single : A 2 LYS NZ :NH3+ 152:sc= -0.242 (180deg=-0.88) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.04 X(o=-1,f=-0.59) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -63:sc= -1.32 USER MOD Single : A 46 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-2.2!) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot -130:sc= -0.974 USER MOD Single : A 57 ASN : amide:sc= -2.07! C(o=-2.1!,f=-5.3!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0782) USER MOD Single : A 73 GLN : amide:sc= -0.525 X(o=-0.53,f=-0.53) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -2.76! C(o=-2.8!,f=-3.4!) USER MOD Single : A 81 GLN : amide:sc= -1.25 K(o=-1.2,f=-1.8!) USER MOD Single : A 82 HIS : no HD1:sc= -0.858 K(o=-0.86,f=-0.11) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0174 USER MOD Single : A 89 HIS : no HD1:sc= 0.0463 K(o=0.046,f=-0.63) USER MOD Single : A 91 CYS SG : rot 180:sc= -0.12 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.703 5.212 18.502 1.00 0.00 N ATOM 2 CA MET A 1 -23.515 4.203 17.467 1.00 0.00 C ATOM 3 C MET A 1 -23.649 2.783 18.058 1.00 0.00 C ATOM 4 O MET A 1 -22.682 2.240 18.594 1.00 0.00 O ATOM 5 CB MET A 1 -22.146 4.375 16.777 1.00 0.00 C ATOM 6 CG MET A 1 -20.985 4.643 17.748 1.00 0.00 C ATOM 7 SD MET A 1 -19.369 4.092 17.116 1.00 0.00 S ATOM 8 CE MET A 1 -19.278 2.422 17.826 1.00 0.00 C ATOM 0 H1 MET A 1 -23.476 6.151 18.117 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.692 5.199 18.824 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.075 5.007 19.305 1.00 0.00 H new ATOM 0 HA MET A 1 -24.295 4.338 16.717 1.00 0.00 H new ATOM 0 HB2 MET A 1 -21.925 3.476 16.202 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.210 5.199 16.067 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.938 5.711 17.960 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.188 4.139 18.693 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.341 1.951 17.529 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.323 2.486 18.913 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.115 1.826 17.463 1.00 0.00 H new ATOM 19 N LYS A 2 -24.857 2.192 17.972 1.00 0.00 N ATOM 20 CA LYS A 2 -25.191 0.852 18.474 1.00 0.00 C ATOM 21 C LYS A 2 -25.875 0.016 17.370 1.00 0.00 C ATOM 22 O LYS A 2 -26.669 -0.877 17.669 1.00 0.00 O ATOM 23 CB LYS A 2 -26.083 0.973 19.728 1.00 0.00 C ATOM 24 CG LYS A 2 -26.753 2.353 19.842 1.00 0.00 C ATOM 25 CD LYS A 2 -27.546 2.517 21.146 1.00 0.00 C ATOM 26 CE LYS A 2 -26.579 2.592 22.338 1.00 0.00 C ATOM 27 NZ LYS A 2 -25.506 3.576 22.116 1.00 0.00 N ATOM 0 H LYS A 2 -25.654 2.655 17.534 1.00 0.00 H new ATOM 0 HA LYS A 2 -24.275 0.333 18.756 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -26.852 0.201 19.699 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -25.480 0.790 20.618 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -25.990 3.129 19.785 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -27.421 2.500 18.994 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -28.154 3.421 21.102 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -28.231 1.679 21.274 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -27.133 2.857 23.238 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -26.140 1.609 22.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -25.181 3.948 23.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -24.711 3.118 21.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -25.867 4.358 21.533 1.00 0.00 H new ATOM 41 N LYS A 3 -25.554 0.304 16.094 1.00 0.00 N ATOM 42 CA LYS A 3 -26.196 -0.265 14.900 1.00 0.00 C ATOM 43 C LYS A 3 -25.369 0.054 13.636 1.00 0.00 C ATOM 44 O LYS A 3 -24.759 1.121 13.546 1.00 0.00 O ATOM 45 CB LYS A 3 -27.641 0.267 14.783 1.00 0.00 C ATOM 46 CG LYS A 3 -28.620 -0.799 14.261 1.00 0.00 C ATOM 47 CD LYS A 3 -30.087 -0.418 14.502 1.00 0.00 C ATOM 48 CE LYS A 3 -30.503 0.697 13.531 1.00 0.00 C ATOM 49 NZ LYS A 3 -31.847 0.468 12.972 1.00 0.00 N ATOM 0 H LYS A 3 -24.812 0.964 15.861 1.00 0.00 H new ATOM 0 HA LYS A 3 -26.238 -1.350 14.995 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -27.976 0.617 15.759 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -27.655 1.127 14.114 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -28.457 -0.946 13.193 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -28.410 -1.751 14.749 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -30.726 -1.290 14.363 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -30.221 -0.085 15.531 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -30.484 1.655 14.050 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -29.778 0.760 12.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -32.089 1.243 12.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -31.859 -0.434 12.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -32.543 0.433 13.744 1.00 0.00 H new ATOM 63 N ALA A 4 -25.352 -0.875 12.662 1.00 0.00 N ATOM 64 CA ALA A 4 -24.729 -0.717 11.340 1.00 0.00 C ATOM 65 C ALA A 4 -23.205 -0.957 11.407 1.00 0.00 C ATOM 66 O ALA A 4 -22.583 -0.713 12.441 1.00 0.00 O ATOM 67 CB ALA A 4 -25.032 0.685 10.787 1.00 0.00 C ATOM 0 H ALA A 4 -25.789 -1.789 12.781 1.00 0.00 H new ATOM 0 HA ALA A 4 -25.151 -1.465 10.668 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -24.568 0.798 9.807 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -26.110 0.815 10.695 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -24.633 1.438 11.466 1.00 0.00 H new ATOM 73 N THR A 5 -22.607 -1.420 10.292 1.00 0.00 N ATOM 74 CA THR A 5 -21.198 -1.819 10.177 1.00 0.00 C ATOM 75 C THR A 5 -20.746 -1.746 8.701 1.00 0.00 C ATOM 76 O THR A 5 -19.673 -1.218 8.409 1.00 0.00 O ATOM 77 CB THR A 5 -21.003 -3.236 10.767 1.00 0.00 C ATOM 78 OG1 THR A 5 -19.652 -3.423 11.147 1.00 0.00 O ATOM 79 CG2 THR A 5 -21.382 -4.355 9.783 1.00 0.00 C ATOM 0 H THR A 5 -23.116 -1.529 9.415 1.00 0.00 H new ATOM 0 HA THR A 5 -20.575 -1.131 10.748 1.00 0.00 H new ATOM 0 HB THR A 5 -21.668 -3.300 11.628 1.00 0.00 H new ATOM 0 HG1 THR A 5 -19.539 -4.322 11.521 1.00 0.00 H new ATOM 0 HG21 THR A 5 -21.223 -5.324 10.256 1.00 0.00 H new ATOM 0 HG22 THR A 5 -22.431 -4.255 9.504 1.00 0.00 H new ATOM 0 HG23 THR A 5 -20.761 -4.280 8.890 1.00 0.00 H new ATOM 87 N CYS A 6 -21.584 -2.258 7.780 1.00 0.00 N ATOM 88 CA CYS A 6 -21.446 -2.215 6.316 1.00 0.00 C ATOM 89 C CYS A 6 -19.961 -2.276 5.894 1.00 0.00 C ATOM 90 O CYS A 6 -19.309 -1.244 5.731 1.00 0.00 O ATOM 91 CB CYS A 6 -22.139 -0.951 5.761 1.00 0.00 C ATOM 92 SG CYS A 6 -21.690 0.552 6.684 1.00 0.00 S ATOM 0 H CYS A 6 -22.434 -2.746 8.061 1.00 0.00 H new ATOM 0 HA CYS A 6 -21.936 -3.092 5.892 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -21.870 -0.824 4.712 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -23.220 -1.087 5.798 1.00 0.00 H new ATOM 0 HG CYS A 6 -20.981 1.332 5.924 1.00 0.00 H new ATOM 98 N LEU A 7 -19.431 -3.503 5.699 1.00 0.00 N ATOM 99 CA LEU A 7 -18.076 -3.800 5.209 1.00 0.00 C ATOM 100 C LEU A 7 -18.057 -3.903 3.667 1.00 0.00 C ATOM 101 O LEU A 7 -17.165 -4.523 3.088 1.00 0.00 O ATOM 102 CB LEU A 7 -17.574 -5.123 5.825 1.00 0.00 C ATOM 103 CG LEU A 7 -17.001 -5.017 7.255 1.00 0.00 C ATOM 104 CD1 LEU A 7 -15.649 -4.288 7.206 1.00 0.00 C ATOM 105 CD2 LEU A 7 -17.945 -4.261 8.205 1.00 0.00 C ATOM 0 H LEU A 7 -19.965 -4.351 5.889 1.00 0.00 H new ATOM 0 HA LEU A 7 -17.417 -2.985 5.509 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -18.400 -5.835 5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -16.804 -5.537 5.174 1.00 0.00 H new ATOM 0 HG LEU A 7 -16.882 -6.030 7.639 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -15.241 -4.211 8.214 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.957 -4.847 6.576 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -15.789 -3.289 6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -17.499 -4.212 9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -18.106 -3.250 7.830 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.900 -4.784 8.261 1.00 0.00 H new ATOM 117 N THR A 8 -19.072 -3.294 3.015 1.00 0.00 N ATOM 118 CA THR A 8 -19.275 -3.269 1.561 1.00 0.00 C ATOM 119 C THR A 8 -18.004 -2.771 0.839 1.00 0.00 C ATOM 120 O THR A 8 -17.048 -2.345 1.491 1.00 0.00 O ATOM 121 CB THR A 8 -20.501 -2.389 1.215 1.00 0.00 C ATOM 122 OG1 THR A 8 -20.352 -1.097 1.774 1.00 0.00 O ATOM 123 CG2 THR A 8 -21.828 -2.975 1.726 1.00 0.00 C ATOM 0 H THR A 8 -19.801 -2.786 3.516 1.00 0.00 H new ATOM 0 HA THR A 8 -19.472 -4.283 1.214 1.00 0.00 H new ATOM 0 HB THR A 8 -20.540 -2.347 0.127 1.00 0.00 H new ATOM 0 HG1 THR A 8 -21.133 -0.550 1.547 1.00 0.00 H new ATOM 0 HG21 THR A 8 -22.648 -2.312 1.452 1.00 0.00 H new ATOM 0 HG22 THR A 8 -21.989 -3.956 1.278 1.00 0.00 H new ATOM 0 HG23 THR A 8 -21.788 -3.074 2.811 1.00 0.00 H new ATOM 131 N ASP A 9 -17.986 -2.842 -0.507 1.00 0.00 N ATOM 132 CA ASP A 9 -16.803 -2.629 -1.355 1.00 0.00 C ATOM 133 C ASP A 9 -16.517 -1.124 -1.552 1.00 0.00 C ATOM 134 O ASP A 9 -15.365 -0.729 -1.740 1.00 0.00 O ATOM 135 CB ASP A 9 -16.994 -3.343 -2.709 1.00 0.00 C ATOM 136 CG ASP A 9 -17.981 -4.515 -2.643 1.00 0.00 C ATOM 137 OD1 ASP A 9 -17.556 -5.602 -2.192 1.00 0.00 O ATOM 138 OD2 ASP A 9 -19.148 -4.306 -3.043 1.00 0.00 O ATOM 0 H ASP A 9 -18.823 -3.056 -1.048 1.00 0.00 H new ATOM 0 HA ASP A 9 -15.935 -3.058 -0.854 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -17.346 -2.621 -3.446 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -16.029 -3.709 -3.058 1.00 0.00 H new ATOM 143 N ASP A 10 -17.568 -0.285 -1.487 1.00 0.00 N ATOM 144 CA ASP A 10 -17.483 1.172 -1.302 1.00 0.00 C ATOM 145 C ASP A 10 -16.407 1.541 -0.261 1.00 0.00 C ATOM 146 O ASP A 10 -15.341 2.065 -0.601 1.00 0.00 O ATOM 147 CB ASP A 10 -18.874 1.715 -0.901 1.00 0.00 C ATOM 148 CG ASP A 10 -19.874 1.752 -2.061 1.00 0.00 C ATOM 149 OD1 ASP A 10 -19.418 1.611 -3.217 1.00 0.00 O ATOM 150 OD2 ASP A 10 -21.080 1.929 -1.776 1.00 0.00 O ATOM 0 H ASP A 10 -18.530 -0.616 -1.565 1.00 0.00 H new ATOM 0 HA ASP A 10 -17.182 1.636 -2.241 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -19.280 1.096 -0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -18.760 2.721 -0.498 1.00 0.00 H new ATOM 155 N GLN A 11 -16.694 1.287 1.034 1.00 0.00 N ATOM 156 CA GLN A 11 -15.905 1.795 2.168 1.00 0.00 C ATOM 157 C GLN A 11 -14.607 0.976 2.331 1.00 0.00 C ATOM 158 O GLN A 11 -13.622 1.480 2.871 1.00 0.00 O ATOM 159 CB GLN A 11 -16.746 1.756 3.464 1.00 0.00 C ATOM 160 CG GLN A 11 -18.268 1.705 3.248 1.00 0.00 C ATOM 161 CD GLN A 11 -19.064 2.768 4.020 1.00 0.00 C ATOM 162 OE1 GLN A 11 -19.965 2.424 4.783 1.00 0.00 O ATOM 163 NE2 GLN A 11 -18.749 4.055 3.840 1.00 0.00 N ATOM 0 H GLN A 11 -17.490 0.717 1.320 1.00 0.00 H new ATOM 0 HA GLN A 11 -15.630 2.831 1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -16.447 0.885 4.047 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -16.508 2.636 4.061 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -18.474 1.819 2.184 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -18.629 0.719 3.539 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -17.997 4.311 3.201 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.261 4.780 4.342 1.00 0.00 H new ATOM 172 N ARG A 12 -14.598 -0.277 1.838 1.00 0.00 N ATOM 173 CA ARG A 12 -13.391 -1.057 1.527 1.00 0.00 C ATOM 174 C ARG A 12 -12.320 -0.155 0.874 1.00 0.00 C ATOM 175 O ARG A 12 -11.228 0.073 1.396 1.00 0.00 O ATOM 176 CB ARG A 12 -13.772 -2.230 0.599 1.00 0.00 C ATOM 177 CG ARG A 12 -14.054 -3.523 1.384 1.00 0.00 C ATOM 178 CD ARG A 12 -14.198 -4.734 0.455 1.00 0.00 C ATOM 179 NE ARG A 12 -14.232 -5.986 1.226 1.00 0.00 N ATOM 180 CZ ARG A 12 -15.219 -6.900 1.222 1.00 0.00 C ATOM 181 NH1 ARG A 12 -16.250 -6.818 0.367 1.00 0.00 N ATOM 182 NH2 ARG A 12 -15.175 -7.915 2.098 1.00 0.00 N ATOM 0 H ARG A 12 -15.458 -0.788 1.640 1.00 0.00 H new ATOM 0 HA ARG A 12 -12.967 -1.458 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -14.654 -1.960 0.018 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -12.964 -2.407 -0.111 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -13.245 -3.702 2.092 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -14.967 -3.402 1.967 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -15.111 -4.640 -0.133 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.366 -4.758 -0.249 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.428 -6.180 1.823 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -16.298 -6.049 -0.301 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -16.985 -7.525 0.385 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -14.399 -7.987 2.757 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.917 -8.615 2.105 1.00 0.00 H new ATOM 196 N TRP A 13 -12.693 0.414 -0.307 1.00 0.00 N ATOM 197 CA TRP A 13 -11.862 1.379 -1.033 1.00 0.00 C ATOM 198 C TRP A 13 -11.815 2.751 -0.328 1.00 0.00 C ATOM 199 O TRP A 13 -10.935 3.563 -0.647 1.00 0.00 O ATOM 200 CB TRP A 13 -12.333 1.544 -2.498 1.00 0.00 C ATOM 201 CG TRP A 13 -11.280 2.172 -3.378 1.00 0.00 C ATOM 202 CD1 TRP A 13 -11.357 3.365 -4.010 1.00 0.00 C ATOM 203 CD2 TRP A 13 -9.933 1.666 -3.646 1.00 0.00 C ATOM 204 NE1 TRP A 13 -10.159 3.649 -4.632 1.00 0.00 N ATOM 205 CE2 TRP A 13 -9.238 2.641 -4.433 1.00 0.00 C ATOM 206 CE3 TRP A 13 -9.223 0.490 -3.301 1.00 0.00 C ATOM 207 CZ2 TRP A 13 -7.895 2.472 -4.816 1.00 0.00 C ATOM 208 CZ3 TRP A 13 -7.901 0.272 -3.758 1.00 0.00 C ATOM 209 CH2 TRP A 13 -7.239 1.260 -4.514 1.00 0.00 C ATOM 0 H TRP A 13 -13.578 0.208 -0.769 1.00 0.00 H new ATOM 0 HA TRP A 13 -10.850 0.973 -1.040 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -12.603 0.568 -2.901 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -13.233 2.158 -2.520 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -12.229 4.002 -4.025 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -9.977 4.496 -5.170 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.698 -0.253 -2.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -7.372 3.261 -5.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -7.398 -0.655 -3.526 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -6.231 1.090 -4.862 1.00 0.00 H new ATOM 220 N GLN A 14 -12.725 3.024 0.633 1.00 0.00 N ATOM 221 CA GLN A 14 -12.616 4.187 1.538 1.00 0.00 C ATOM 222 C GLN A 14 -11.380 4.042 2.452 1.00 0.00 C ATOM 223 O GLN A 14 -10.464 4.865 2.389 1.00 0.00 O ATOM 224 CB GLN A 14 -13.912 4.348 2.358 1.00 0.00 C ATOM 225 CG GLN A 14 -13.674 4.823 3.806 1.00 0.00 C ATOM 226 CD GLN A 14 -14.394 6.123 4.194 1.00 0.00 C ATOM 227 OE1 GLN A 14 -14.001 7.196 3.739 1.00 0.00 O ATOM 228 NE2 GLN A 14 -15.433 6.059 5.033 1.00 0.00 N ATOM 0 H GLN A 14 -13.550 2.448 0.802 1.00 0.00 H new ATOM 0 HA GLN A 14 -12.484 5.091 0.943 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -14.564 5.061 1.854 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -14.439 3.394 2.380 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.991 4.033 4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -12.603 4.961 3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -15.740 5.157 5.397 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -15.919 6.912 5.309 1.00 0.00 H new ATOM 237 N SER A 15 -11.361 3.006 3.314 1.00 0.00 N ATOM 238 CA SER A 15 -10.255 2.699 4.240 1.00 0.00 C ATOM 239 C SER A 15 -8.920 2.421 3.508 1.00 0.00 C ATOM 240 O SER A 15 -7.851 2.461 4.117 1.00 0.00 O ATOM 241 CB SER A 15 -10.640 1.518 5.151 1.00 0.00 C ATOM 242 OG SER A 15 -9.898 1.518 6.354 1.00 0.00 O ATOM 0 H SER A 15 -12.134 2.344 3.387 1.00 0.00 H new ATOM 0 HA SER A 15 -10.090 3.586 4.852 1.00 0.00 H new ATOM 0 HB2 SER A 15 -11.704 1.568 5.381 1.00 0.00 H new ATOM 0 HB3 SER A 15 -10.472 0.581 4.621 1.00 0.00 H new ATOM 0 HG SER A 15 -10.171 0.756 6.906 1.00 0.00 H new ATOM 248 N VAL A 16 -9.010 2.160 2.185 1.00 0.00 N ATOM 249 CA VAL A 16 -7.879 2.068 1.252 1.00 0.00 C ATOM 250 C VAL A 16 -7.525 3.452 0.662 1.00 0.00 C ATOM 251 O VAL A 16 -6.335 3.788 0.571 1.00 0.00 O ATOM 252 CB VAL A 16 -8.202 1.050 0.124 1.00 0.00 C ATOM 253 CG1 VAL A 16 -7.112 1.029 -0.965 1.00 0.00 C ATOM 254 CG2 VAL A 16 -8.362 -0.387 0.653 1.00 0.00 C ATOM 0 H VAL A 16 -9.908 2.003 1.727 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.007 1.715 1.803 1.00 0.00 H new ATOM 0 HB VAL A 16 -9.147 1.390 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.379 0.303 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.027 2.019 -1.414 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.157 0.750 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.587 -1.057 -0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.436 -0.703 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.176 -0.420 1.377 1.00 0.00 H new ATOM 264 N LEU A 17 -8.522 4.250 0.236 1.00 0.00 N ATOM 265 CA LEU A 17 -8.338 5.595 -0.333 1.00 0.00 C ATOM 266 C LEU A 17 -7.735 6.550 0.722 1.00 0.00 C ATOM 267 O LEU A 17 -6.873 7.371 0.406 1.00 0.00 O ATOM 268 CB LEU A 17 -9.683 6.162 -0.834 1.00 0.00 C ATOM 269 CG LEU A 17 -10.001 5.889 -2.319 1.00 0.00 C ATOM 270 CD1 LEU A 17 -11.116 6.839 -2.782 1.00 0.00 C ATOM 271 CD2 LEU A 17 -8.770 6.082 -3.221 1.00 0.00 C ATOM 0 H LEU A 17 -9.501 3.969 0.280 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.652 5.514 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.484 5.744 -0.225 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.688 7.240 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.318 4.849 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.344 6.649 -3.831 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -12.010 6.672 -2.181 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.787 7.871 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.042 5.879 -4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.413 7.108 -3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.981 5.396 -2.912 1.00 0.00 H new ATOM 283 N ALA A 18 -8.192 6.415 1.984 1.00 0.00 N ATOM 284 CA ALA A 18 -7.716 7.164 3.154 1.00 0.00 C ATOM 285 C ALA A 18 -6.202 6.930 3.372 1.00 0.00 C ATOM 286 O ALA A 18 -5.525 7.733 4.012 1.00 0.00 O ATOM 287 CB ALA A 18 -8.513 6.755 4.404 1.00 0.00 C ATOM 0 H ALA A 18 -8.932 5.754 2.220 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.872 8.228 2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -8.152 7.316 5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.570 6.970 4.248 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.383 5.688 4.586 1.00 0.00 H new ATOM 293 N ARG A 19 -5.696 5.797 2.836 1.00 0.00 N ATOM 294 CA ARG A 19 -4.291 5.372 2.878 1.00 0.00 C ATOM 295 C ARG A 19 -3.940 4.767 4.258 1.00 0.00 C ATOM 296 O ARG A 19 -2.781 4.778 4.673 1.00 0.00 O ATOM 297 CB ARG A 19 -3.371 6.551 2.500 1.00 0.00 C ATOM 298 CG ARG A 19 -1.939 6.118 2.145 1.00 0.00 C ATOM 299 CD ARG A 19 -0.938 7.241 2.452 1.00 0.00 C ATOM 300 NE ARG A 19 -1.601 8.552 2.527 1.00 0.00 N ATOM 301 CZ ARG A 19 -1.597 9.488 1.559 1.00 0.00 C ATOM 302 NH1 ARG A 19 -0.954 9.291 0.396 1.00 0.00 N ATOM 303 NH2 ARG A 19 -2.248 10.644 1.758 1.00 0.00 N ATOM 0 H ARG A 19 -6.287 5.129 2.342 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.132 4.584 2.142 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.803 7.082 1.652 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.334 7.255 3.331 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.674 5.224 2.710 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.885 5.855 1.089 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.435 7.033 3.396 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.169 7.265 1.680 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.107 8.771 3.385 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.454 8.417 0.231 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.965 10.015 -0.322 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.740 10.808 2.636 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.251 11.359 1.031 1.00 0.00 H new ATOM 317 N ASP A 20 -4.971 4.260 4.968 1.00 0.00 N ATOM 318 CA ASP A 20 -4.956 3.948 6.403 1.00 0.00 C ATOM 319 C ASP A 20 -3.736 3.061 6.764 1.00 0.00 C ATOM 320 O ASP A 20 -3.807 1.841 6.610 1.00 0.00 O ATOM 321 CB ASP A 20 -6.288 3.269 6.791 1.00 0.00 C ATOM 322 CG ASP A 20 -6.344 2.832 8.259 1.00 0.00 C ATOM 323 OD1 ASP A 20 -6.221 3.722 9.129 1.00 0.00 O ATOM 324 OD2 ASP A 20 -6.506 1.613 8.489 1.00 0.00 O ATOM 0 H ASP A 20 -5.870 4.051 4.534 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.857 4.872 6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.109 3.958 6.593 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.442 2.398 6.154 1.00 0.00 H new ATOM 329 N PRO A 21 -2.596 3.655 7.208 1.00 0.00 N ATOM 330 CA PRO A 21 -1.285 2.992 7.284 1.00 0.00 C ATOM 331 C PRO A 21 -1.299 1.717 8.165 1.00 0.00 C ATOM 332 O PRO A 21 -0.459 0.830 8.021 1.00 0.00 O ATOM 333 CB PRO A 21 -0.309 4.037 7.844 1.00 0.00 C ATOM 334 CG PRO A 21 -1.194 5.117 8.461 1.00 0.00 C ATOM 335 CD PRO A 21 -2.471 5.047 7.626 1.00 0.00 C ATOM 0 HA PRO A 21 -0.988 2.646 6.294 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.354 3.598 8.589 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.323 4.448 7.057 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -1.392 4.921 9.515 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.728 6.101 8.402 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.337 5.360 8.209 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.411 5.711 6.763 1.00 0.00 H new ATOM 343 N ASN A 22 -2.269 1.664 9.103 1.00 0.00 N ATOM 344 CA ASN A 22 -2.330 0.754 10.253 1.00 0.00 C ATOM 345 C ASN A 22 -3.381 -0.356 10.023 1.00 0.00 C ATOM 346 O ASN A 22 -3.852 -0.992 10.967 1.00 0.00 O ATOM 347 CB ASN A 22 -2.668 1.560 11.527 1.00 0.00 C ATOM 348 CG ASN A 22 -2.660 0.718 12.808 1.00 0.00 C ATOM 349 OD1 ASN A 22 -1.600 0.410 13.350 1.00 0.00 O ATOM 350 ND2 ASN A 22 -3.845 0.347 13.302 1.00 0.00 N ATOM 0 H ASN A 22 -3.072 2.292 9.071 1.00 0.00 H new ATOM 0 HA ASN A 22 -1.359 0.274 10.375 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.950 2.374 11.633 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.651 2.016 11.408 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.890 -0.210 14.155 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.704 0.621 12.826 1.00 0.00 H new ATOM 357 N ALA A 23 -3.733 -0.596 8.742 1.00 0.00 N ATOM 358 CA ALA A 23 -4.696 -1.608 8.286 1.00 0.00 C ATOM 359 C ALA A 23 -3.970 -2.811 7.643 1.00 0.00 C ATOM 360 O ALA A 23 -4.547 -3.527 6.824 1.00 0.00 O ATOM 361 CB ALA A 23 -5.686 -0.976 7.295 1.00 0.00 C ATOM 0 H ALA A 23 -3.334 -0.065 7.968 1.00 0.00 H new ATOM 0 HA ALA A 23 -5.249 -1.978 9.149 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.398 -1.731 6.960 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.223 -0.163 7.785 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.141 -0.585 6.436 1.00 0.00 H new ATOM 367 N ASP A 24 -2.699 -3.035 8.043 1.00 0.00 N ATOM 368 CA ASP A 24 -1.899 -4.232 7.740 1.00 0.00 C ATOM 369 C ASP A 24 -2.468 -5.506 8.408 1.00 0.00 C ATOM 370 O ASP A 24 -1.976 -6.607 8.145 1.00 0.00 O ATOM 371 CB ASP A 24 -0.436 -3.981 8.174 1.00 0.00 C ATOM 372 CG ASP A 24 -0.057 -4.700 9.474 1.00 0.00 C ATOM 373 OD1 ASP A 24 -0.817 -4.550 10.457 1.00 0.00 O ATOM 374 OD2 ASP A 24 0.988 -5.387 9.467 1.00 0.00 O ATOM 0 H ASP A 24 -2.186 -2.358 8.608 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.939 -4.410 6.665 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.233 -4.308 7.378 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.281 -2.910 8.301 1.00 0.00 H new ATOM 379 N GLY A 25 -3.507 -5.366 9.253 1.00 0.00 N ATOM 380 CA GLY A 25 -4.142 -6.449 10.015 1.00 0.00 C ATOM 381 C GLY A 25 -5.601 -6.687 9.572 1.00 0.00 C ATOM 382 O GLY A 25 -6.080 -7.822 9.598 1.00 0.00 O ATOM 0 H GLY A 25 -3.941 -4.460 9.428 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.569 -7.367 9.886 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.120 -6.206 11.077 1.00 0.00 H new ATOM 386 N GLU A 26 -6.310 -5.610 9.185 1.00 0.00 N ATOM 387 CA GLU A 26 -7.751 -5.590 8.887 1.00 0.00 C ATOM 388 C GLU A 26 -8.044 -6.309 7.553 1.00 0.00 C ATOM 389 O GLU A 26 -9.038 -7.027 7.440 1.00 0.00 O ATOM 390 CB GLU A 26 -8.259 -4.132 8.864 1.00 0.00 C ATOM 391 CG GLU A 26 -9.766 -4.026 9.165 1.00 0.00 C ATOM 392 CD GLU A 26 -10.133 -4.239 10.639 1.00 0.00 C ATOM 393 OE1 GLU A 26 -9.323 -3.800 11.485 1.00 0.00 O ATOM 394 OE2 GLU A 26 -11.205 -4.828 10.906 1.00 0.00 O ATOM 0 H GLU A 26 -5.876 -4.695 9.067 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.284 -6.128 9.671 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.704 -3.546 9.596 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -8.056 -3.696 7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.118 -3.043 8.854 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.298 -4.761 8.561 1.00 0.00 H new ATOM 401 N PHE A 27 -7.163 -6.129 6.546 1.00 0.00 N ATOM 402 CA PHE A 27 -7.237 -6.779 5.230 1.00 0.00 C ATOM 403 C PHE A 27 -5.971 -6.507 4.383 1.00 0.00 C ATOM 404 O PHE A 27 -5.040 -5.838 4.829 1.00 0.00 O ATOM 405 CB PHE A 27 -8.482 -6.288 4.464 1.00 0.00 C ATOM 406 CG PHE A 27 -8.658 -4.776 4.391 1.00 0.00 C ATOM 407 CD1 PHE A 27 -9.139 -4.047 5.504 1.00 0.00 C ATOM 408 CD2 PHE A 27 -8.326 -4.090 3.198 1.00 0.00 C ATOM 409 CE1 PHE A 27 -9.342 -2.655 5.406 1.00 0.00 C ATOM 410 CE2 PHE A 27 -8.558 -2.701 3.093 1.00 0.00 C ATOM 411 CZ PHE A 27 -9.059 -1.983 4.197 1.00 0.00 C ATOM 0 H PHE A 27 -6.359 -5.508 6.634 1.00 0.00 H new ATOM 0 HA PHE A 27 -7.307 -7.853 5.401 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.439 -6.680 3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.367 -6.716 4.934 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -9.351 -4.558 6.431 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.895 -4.629 2.368 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -9.714 -2.103 6.256 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.351 -2.188 2.165 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.226 -0.919 4.118 1.00 0.00 H new ATOM 421 N VAL A 28 -5.971 -7.015 3.131 1.00 0.00 N ATOM 422 CA VAL A 28 -5.112 -6.588 2.017 1.00 0.00 C ATOM 423 C VAL A 28 -5.993 -6.208 0.806 1.00 0.00 C ATOM 424 O VAL A 28 -7.210 -6.404 0.843 1.00 0.00 O ATOM 425 CB VAL A 28 -4.086 -7.691 1.641 1.00 0.00 C ATOM 426 CG1 VAL A 28 -3.484 -8.359 2.895 1.00 0.00 C ATOM 427 CG2 VAL A 28 -4.687 -8.791 0.743 1.00 0.00 C ATOM 0 H VAL A 28 -6.602 -7.770 2.862 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.540 -5.714 2.328 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.305 -7.175 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.771 -9.125 2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.975 -7.608 3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.281 -8.817 3.481 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.922 -9.533 0.514 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.515 -9.273 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.050 -8.346 -0.184 1.00 0.00 H new ATOM 437 N PHE A 29 -5.389 -5.646 -0.265 1.00 0.00 N ATOM 438 CA PHE A 29 -6.030 -5.432 -1.572 1.00 0.00 C ATOM 439 C PHE A 29 -5.083 -5.799 -2.737 1.00 0.00 C ATOM 440 O PHE A 29 -3.861 -5.736 -2.602 1.00 0.00 O ATOM 441 CB PHE A 29 -6.507 -3.969 -1.708 1.00 0.00 C ATOM 442 CG PHE A 29 -5.427 -2.928 -1.977 1.00 0.00 C ATOM 443 CD1 PHE A 29 -4.676 -2.967 -3.175 1.00 0.00 C ATOM 444 CD2 PHE A 29 -5.195 -1.894 -1.041 1.00 0.00 C ATOM 445 CE1 PHE A 29 -3.701 -1.981 -3.433 1.00 0.00 C ATOM 446 CE2 PHE A 29 -4.245 -0.887 -1.320 1.00 0.00 C ATOM 447 CZ PHE A 29 -3.486 -0.941 -2.506 1.00 0.00 C ATOM 0 H PHE A 29 -4.422 -5.323 -0.239 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.896 -6.092 -1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.237 -3.921 -2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.028 -3.692 -0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.850 -3.754 -3.894 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.745 -1.874 -0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.119 -2.023 -4.342 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.100 -0.074 -0.623 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.740 -0.186 -2.705 1.00 0.00 H new ATOM 457 N ALA A 30 -5.666 -6.209 -3.885 1.00 0.00 N ATOM 458 CA ALA A 30 -5.011 -6.927 -4.988 1.00 0.00 C ATOM 459 C ALA A 30 -5.335 -6.280 -6.352 1.00 0.00 C ATOM 460 O ALA A 30 -6.500 -6.271 -6.766 1.00 0.00 O ATOM 461 CB ALA A 30 -5.445 -8.404 -4.990 1.00 0.00 C ATOM 0 H ALA A 30 -6.654 -6.037 -4.071 1.00 0.00 H new ATOM 0 HA ALA A 30 -3.934 -6.867 -4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.954 -8.926 -5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.163 -8.867 -4.045 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -6.526 -8.465 -5.116 1.00 0.00 H new ATOM 467 N VAL A 31 -4.317 -5.766 -7.069 1.00 0.00 N ATOM 468 CA VAL A 31 -4.458 -5.118 -8.383 1.00 0.00 C ATOM 469 C VAL A 31 -4.141 -6.127 -9.508 1.00 0.00 C ATOM 470 O VAL A 31 -2.975 -6.348 -9.839 1.00 0.00 O ATOM 471 CB VAL A 31 -3.544 -3.867 -8.460 1.00 0.00 C ATOM 472 CG1 VAL A 31 -3.314 -3.408 -9.913 1.00 0.00 C ATOM 473 CG2 VAL A 31 -4.116 -2.671 -7.676 1.00 0.00 C ATOM 0 H VAL A 31 -3.352 -5.792 -6.741 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.488 -4.786 -8.515 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.600 -4.179 -8.013 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.669 -2.530 -9.919 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.840 -4.211 -10.477 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.271 -3.159 -10.372 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.438 -1.822 -7.762 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.090 -2.401 -8.084 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.225 -2.943 -6.626 1.00 0.00 H new ATOM 483 N ARG A 32 -5.191 -6.752 -10.080 1.00 0.00 N ATOM 484 CA ARG A 32 -5.108 -7.907 -10.984 1.00 0.00 C ATOM 485 C ARG A 32 -4.265 -7.583 -12.237 1.00 0.00 C ATOM 486 O ARG A 32 -3.840 -8.499 -12.948 1.00 0.00 O ATOM 487 CB ARG A 32 -6.534 -8.356 -11.368 1.00 0.00 C ATOM 488 CG ARG A 32 -7.451 -7.174 -11.719 1.00 0.00 C ATOM 489 CD ARG A 32 -8.807 -7.645 -12.268 1.00 0.00 C ATOM 490 NE ARG A 32 -8.855 -7.511 -13.731 1.00 0.00 N ATOM 491 CZ ARG A 32 -8.897 -8.510 -14.631 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.881 -9.796 -14.250 1.00 0.00 N ATOM 493 NH2 ARG A 32 -8.955 -8.216 -15.939 1.00 0.00 N ATOM 0 H ARG A 32 -6.152 -6.452 -9.916 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.604 -8.725 -10.468 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.480 -9.035 -12.219 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.970 -8.916 -10.541 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.611 -6.563 -10.831 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -6.960 -6.541 -12.458 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.976 -8.685 -11.988 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.609 -7.060 -11.819 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.857 -6.561 -14.103 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.836 -10.034 -13.259 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.914 -10.536 -14.951 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -8.967 -7.242 -16.243 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.987 -8.966 -16.629 1.00 0.00 H new ATOM 507 N THR A 33 -4.037 -6.287 -12.521 1.00 0.00 N ATOM 508 CA THR A 33 -3.459 -5.776 -13.773 1.00 0.00 C ATOM 509 C THR A 33 -1.916 -5.800 -13.716 1.00 0.00 C ATOM 510 O THR A 33 -1.260 -5.978 -14.744 1.00 0.00 O ATOM 511 CB THR A 33 -3.991 -4.349 -14.052 1.00 0.00 C ATOM 512 OG1 THR A 33 -3.516 -3.881 -15.302 1.00 0.00 O ATOM 513 CG2 THR A 33 -3.574 -3.330 -12.977 1.00 0.00 C ATOM 0 H THR A 33 -4.259 -5.543 -11.860 1.00 0.00 H new ATOM 0 HA THR A 33 -3.764 -6.424 -14.595 1.00 0.00 H new ATOM 0 HB THR A 33 -5.078 -4.430 -14.048 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.861 -2.979 -15.466 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.977 -2.349 -13.229 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.962 -3.644 -12.008 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.486 -3.274 -12.931 1.00 0.00 H new ATOM 521 N THR A 34 -1.339 -5.638 -12.509 1.00 0.00 N ATOM 522 CA THR A 34 0.104 -5.699 -12.233 1.00 0.00 C ATOM 523 C THR A 34 0.493 -7.072 -11.641 1.00 0.00 C ATOM 524 O THR A 34 1.656 -7.475 -11.725 1.00 0.00 O ATOM 525 CB THR A 34 0.509 -4.545 -11.284 1.00 0.00 C ATOM 526 OG1 THR A 34 1.905 -4.318 -11.354 1.00 0.00 O ATOM 527 CG2 THR A 34 0.146 -4.817 -9.814 1.00 0.00 C ATOM 0 H THR A 34 -1.889 -5.454 -11.670 1.00 0.00 H new ATOM 0 HA THR A 34 0.647 -5.581 -13.171 1.00 0.00 H new ATOM 0 HB THR A 34 -0.050 -3.672 -11.620 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.148 -3.585 -10.751 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.456 -3.971 -9.200 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.932 -4.955 -9.725 1.00 0.00 H new ATOM 0 HG23 THR A 34 0.656 -5.718 -9.474 1.00 0.00 H new ATOM 535 N GLY A 35 -0.477 -7.784 -11.038 1.00 0.00 N ATOM 536 CA GLY A 35 -0.278 -9.026 -10.277 1.00 0.00 C ATOM 537 C GLY A 35 0.572 -8.792 -9.010 1.00 0.00 C ATOM 538 O GLY A 35 1.419 -9.617 -8.666 1.00 0.00 O ATOM 0 H GLY A 35 -1.455 -7.498 -11.070 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.247 -9.438 -9.994 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.210 -9.766 -10.911 1.00 0.00 H new ATOM 542 N ILE A 36 0.344 -7.653 -8.323 1.00 0.00 N ATOM 543 CA ILE A 36 0.821 -7.354 -6.967 1.00 0.00 C ATOM 544 C ILE A 36 -0.369 -7.329 -5.980 1.00 0.00 C ATOM 545 O ILE A 36 -1.520 -7.183 -6.393 1.00 0.00 O ATOM 546 CB ILE A 36 1.585 -6.000 -6.948 1.00 0.00 C ATOM 547 CG1 ILE A 36 2.554 -5.840 -8.145 1.00 0.00 C ATOM 548 CG2 ILE A 36 2.362 -5.831 -5.627 1.00 0.00 C ATOM 549 CD1 ILE A 36 3.167 -4.436 -8.260 1.00 0.00 C ATOM 0 H ILE A 36 -0.201 -6.888 -8.720 1.00 0.00 H new ATOM 0 HA ILE A 36 1.512 -8.137 -6.654 1.00 0.00 H new ATOM 0 HB ILE A 36 0.828 -5.220 -7.033 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.357 -6.571 -8.051 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.020 -6.070 -9.067 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.889 -4.877 -5.635 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.665 -5.854 -4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.082 -6.643 -5.522 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.834 -4.400 -9.121 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.372 -3.701 -8.386 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.730 -4.210 -7.355 1.00 0.00 H new ATOM 561 N PHE A 37 -0.074 -7.450 -4.670 1.00 0.00 N ATOM 562 CA PHE A 37 -0.974 -7.137 -3.551 1.00 0.00 C ATOM 563 C PHE A 37 -0.261 -6.262 -2.494 1.00 0.00 C ATOM 564 O PHE A 37 0.949 -6.380 -2.294 1.00 0.00 O ATOM 565 CB PHE A 37 -1.486 -8.439 -2.904 1.00 0.00 C ATOM 566 CG PHE A 37 -0.418 -9.309 -2.257 1.00 0.00 C ATOM 567 CD1 PHE A 37 -0.066 -9.112 -0.902 1.00 0.00 C ATOM 568 CD2 PHE A 37 0.226 -10.326 -3.002 1.00 0.00 C ATOM 569 CE1 PHE A 37 0.869 -9.967 -0.282 1.00 0.00 C ATOM 570 CE2 PHE A 37 1.217 -11.128 -2.401 1.00 0.00 C ATOM 571 CZ PHE A 37 1.529 -10.957 -1.036 1.00 0.00 C ATOM 0 H PHE A 37 0.837 -7.783 -4.354 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.822 -6.575 -3.942 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -2.228 -8.182 -2.148 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.997 -9.027 -3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.514 -8.305 -0.341 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.043 -10.488 -4.035 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.079 -9.862 0.772 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.737 -11.873 -2.985 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.274 -11.585 -0.569 1.00 0.00 H new ATOM 581 N CYS A 38 -1.027 -5.394 -1.805 1.00 0.00 N ATOM 582 CA CYS A 38 -0.574 -4.333 -0.898 1.00 0.00 C ATOM 583 C CYS A 38 -1.329 -4.390 0.451 1.00 0.00 C ATOM 584 O CYS A 38 -2.312 -5.119 0.588 1.00 0.00 O ATOM 585 CB CYS A 38 -0.787 -2.956 -1.572 1.00 0.00 C ATOM 586 SG CYS A 38 0.158 -2.757 -3.111 1.00 0.00 S ATOM 0 H CYS A 38 -2.044 -5.421 -1.875 1.00 0.00 H new ATOM 0 HA CYS A 38 0.486 -4.480 -0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -1.848 -2.823 -1.785 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -0.501 -2.169 -0.874 1.00 0.00 H new ATOM 591 N ARG A 39 -0.884 -3.571 1.421 1.00 0.00 N ATOM 592 CA ARG A 39 -1.658 -3.088 2.574 1.00 0.00 C ATOM 593 C ARG A 39 -2.390 -1.779 2.181 1.00 0.00 C ATOM 594 O ARG A 39 -1.941 -1.125 1.221 1.00 0.00 O ATOM 595 CB ARG A 39 -0.692 -2.855 3.759 1.00 0.00 C ATOM 596 CG ARG A 39 -1.385 -2.329 5.022 1.00 0.00 C ATOM 597 CD ARG A 39 -0.437 -1.656 6.016 1.00 0.00 C ATOM 598 NE ARG A 39 0.836 -2.391 6.062 1.00 0.00 N ATOM 599 CZ ARG A 39 2.046 -1.876 6.343 1.00 0.00 C ATOM 600 NH1 ARG A 39 2.201 -0.572 6.624 1.00 0.00 N ATOM 601 NH2 ARG A 39 3.114 -2.686 6.340 1.00 0.00 N ATOM 0 H ARG A 39 0.071 -3.212 1.420 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.406 -3.822 2.873 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.187 -3.792 3.995 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.078 -2.146 3.455 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.156 -1.616 4.731 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.889 -3.158 5.520 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.260 -0.622 5.722 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.890 -1.632 7.007 1.00 0.00 H new ATOM 0 HE ARG A 39 0.797 -3.390 5.861 1.00 0.00 H new ATOM 0 HH11 ARG A 39 1.392 0.049 6.627 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.128 -0.202 6.834 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.002 -3.677 6.127 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.039 -2.311 6.551 1.00 0.00 H new ATOM 615 N PRO A 40 -3.513 -1.366 2.814 1.00 0.00 N ATOM 616 CA PRO A 40 -4.382 -0.275 2.332 1.00 0.00 C ATOM 617 C PRO A 40 -3.690 1.083 2.079 1.00 0.00 C ATOM 618 O PRO A 40 -4.293 1.974 1.469 1.00 0.00 O ATOM 619 CB PRO A 40 -5.504 -0.153 3.387 1.00 0.00 C ATOM 620 CG PRO A 40 -5.568 -1.554 4.001 1.00 0.00 C ATOM 621 CD PRO A 40 -4.091 -1.950 4.018 1.00 0.00 C ATOM 0 HA PRO A 40 -4.747 -0.532 1.338 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.271 0.604 4.136 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.453 0.130 2.933 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.001 -1.544 5.001 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.169 -2.237 3.401 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.595 -1.574 4.913 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.976 -3.034 4.022 1.00 0.00 H new ATOM 629 N SER A 41 -2.428 1.248 2.521 1.00 0.00 N ATOM 630 CA SER A 41 -1.706 2.525 2.619 1.00 0.00 C ATOM 631 C SER A 41 -0.982 2.901 1.309 1.00 0.00 C ATOM 632 O SER A 41 -0.122 3.799 1.330 1.00 0.00 O ATOM 633 CB SER A 41 -0.703 2.477 3.793 1.00 0.00 C ATOM 634 OG SER A 41 -0.749 1.273 4.531 1.00 0.00 O ATOM 0 H SER A 41 -1.862 0.459 2.832 1.00 0.00 H new ATOM 0 HA SER A 41 -2.449 3.301 2.803 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.306 2.616 3.403 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.903 3.312 4.464 1.00 0.00 H new ATOM 0 HG SER A 41 -1.630 1.179 4.950 1.00 0.00 H new ATOM 640 N CYS A 42 -1.260 2.226 0.171 1.00 0.00 N ATOM 641 CA CYS A 42 -0.371 2.219 -1.009 1.00 0.00 C ATOM 642 C CYS A 42 -0.222 3.647 -1.584 1.00 0.00 C ATOM 643 O CYS A 42 -1.034 4.079 -2.403 1.00 0.00 O ATOM 644 CB CYS A 42 -0.885 1.221 -2.067 1.00 0.00 C ATOM 645 SG CYS A 42 0.417 0.722 -3.250 1.00 0.00 S ATOM 0 H CYS A 42 -2.107 1.672 0.046 1.00 0.00 H new ATOM 0 HA CYS A 42 0.621 1.887 -0.703 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.276 0.335 -1.566 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -1.715 1.670 -2.613 1.00 0.00 H new ATOM 650 N ARG A 43 0.809 4.383 -1.123 1.00 0.00 N ATOM 651 CA ARG A 43 0.941 5.844 -1.222 1.00 0.00 C ATOM 652 C ARG A 43 1.028 6.303 -2.693 1.00 0.00 C ATOM 653 O ARG A 43 0.292 7.207 -3.103 1.00 0.00 O ATOM 654 CB ARG A 43 2.171 6.303 -0.410 1.00 0.00 C ATOM 655 CG ARG A 43 3.431 6.474 -1.275 1.00 0.00 C ATOM 656 CD ARG A 43 4.499 7.328 -0.575 1.00 0.00 C ATOM 657 NE ARG A 43 5.722 6.547 -0.336 1.00 0.00 N ATOM 658 CZ ARG A 43 6.981 7.023 -0.343 1.00 0.00 C ATOM 659 NH1 ARG A 43 7.241 8.310 -0.623 1.00 0.00 N ATOM 660 NH2 ARG A 43 7.999 6.196 -0.063 1.00 0.00 N ATOM 0 H ARG A 43 1.605 3.953 -0.652 1.00 0.00 H new ATOM 0 HA ARG A 43 0.050 6.310 -0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.943 7.249 0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.373 5.576 0.376 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.846 5.494 -1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.160 6.939 -2.223 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.733 8.199 -1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.109 7.700 0.373 1.00 0.00 H new ATOM 0 HE ARG A 43 5.605 5.551 -0.147 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.476 8.950 -0.836 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.203 8.648 -0.622 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.816 5.216 0.153 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.957 6.547 -0.066 1.00 0.00 H new ATOM 674 N ALA A 44 1.929 5.695 -3.489 1.00 0.00 N ATOM 675 CA ALA A 44 1.971 5.796 -4.956 1.00 0.00 C ATOM 676 C ALA A 44 0.568 5.569 -5.565 1.00 0.00 C ATOM 677 O ALA A 44 -0.038 4.521 -5.337 1.00 0.00 O ATOM 678 CB ALA A 44 2.979 4.782 -5.521 1.00 0.00 C ATOM 0 H ALA A 44 2.670 5.102 -3.114 1.00 0.00 H new ATOM 0 HA ALA A 44 2.293 6.801 -5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.005 4.862 -6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.970 4.991 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.678 3.773 -5.239 1.00 0.00 H new ATOM 684 N ARG A 45 0.057 6.566 -6.312 1.00 0.00 N ATOM 685 CA ARG A 45 -1.355 6.733 -6.685 1.00 0.00 C ATOM 686 C ARG A 45 -1.988 5.392 -7.115 1.00 0.00 C ATOM 687 O ARG A 45 -1.927 5.016 -8.286 1.00 0.00 O ATOM 688 CB ARG A 45 -1.463 7.794 -7.802 1.00 0.00 C ATOM 689 CG ARG A 45 -0.693 7.400 -9.073 1.00 0.00 C ATOM 690 CD ARG A 45 0.764 7.883 -9.033 1.00 0.00 C ATOM 691 NE ARG A 45 0.882 9.246 -9.573 1.00 0.00 N ATOM 692 CZ ARG A 45 1.647 10.232 -9.068 1.00 0.00 C ATOM 693 NH1 ARG A 45 2.419 10.034 -7.987 1.00 0.00 N ATOM 694 NH2 ARG A 45 1.639 11.438 -9.654 1.00 0.00 N ATOM 0 H ARG A 45 0.646 7.309 -6.687 1.00 0.00 H new ATOM 0 HA ARG A 45 -1.914 7.076 -5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -2.513 7.947 -8.051 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.081 8.745 -7.432 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.713 6.316 -9.188 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.192 7.823 -9.945 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.130 7.862 -8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.392 7.204 -9.610 1.00 0.00 H new ATOM 0 HE ARG A 45 0.335 9.464 -10.406 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.434 9.122 -7.531 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.990 10.796 -7.622 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.057 11.602 -10.475 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.215 12.191 -9.279 1.00 0.00 H new ATOM 708 N HIS A 46 -2.587 4.661 -6.147 1.00 0.00 N ATOM 709 CA HIS A 46 -3.013 3.262 -6.296 1.00 0.00 C ATOM 710 C HIS A 46 -4.132 3.130 -7.356 1.00 0.00 C ATOM 711 O HIS A 46 -5.094 3.900 -7.345 1.00 0.00 O ATOM 712 CB HIS A 46 -3.449 2.653 -4.941 1.00 0.00 C ATOM 713 CG HIS A 46 -3.964 3.622 -3.905 1.00 0.00 C ATOM 714 ND1 HIS A 46 -4.743 4.728 -4.250 1.00 0.00 N ATOM 715 CD2 HIS A 46 -3.776 3.623 -2.544 1.00 0.00 C ATOM 716 CE1 HIS A 46 -4.983 5.353 -3.094 1.00 0.00 C ATOM 717 NE2 HIS A 46 -4.424 4.731 -2.042 1.00 0.00 N ATOM 0 H HIS A 46 -2.789 5.041 -5.222 1.00 0.00 H new ATOM 0 HA HIS A 46 -2.152 2.693 -6.647 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.226 1.913 -5.133 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.599 2.119 -4.517 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.223 2.891 -1.973 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.564 6.260 -3.014 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -4.470 5.021 -1.065 1.00 0.00 H new ATOM 725 N ALA A 47 -3.985 2.158 -8.278 1.00 0.00 N ATOM 726 CA ALA A 47 -4.968 1.788 -9.305 1.00 0.00 C ATOM 727 C ALA A 47 -6.401 1.778 -8.730 1.00 0.00 C ATOM 728 O ALA A 47 -6.592 1.509 -7.543 1.00 0.00 O ATOM 729 CB ALA A 47 -4.612 0.413 -9.893 1.00 0.00 C ATOM 0 H ALA A 47 -3.141 1.588 -8.326 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.937 2.535 -10.098 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.344 0.142 -10.654 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -3.620 0.455 -10.342 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -4.620 -0.335 -9.100 1.00 0.00 H new ATOM 735 N LEU A 48 -7.406 2.055 -9.583 1.00 0.00 N ATOM 736 CA LEU A 48 -8.818 2.224 -9.214 1.00 0.00 C ATOM 737 C LEU A 48 -9.331 0.994 -8.432 1.00 0.00 C ATOM 738 O LEU A 48 -8.763 -0.092 -8.548 1.00 0.00 O ATOM 739 CB LEU A 48 -9.674 2.433 -10.482 1.00 0.00 C ATOM 740 CG LEU A 48 -9.737 3.884 -11.010 1.00 0.00 C ATOM 741 CD1 LEU A 48 -10.777 3.967 -12.139 1.00 0.00 C ATOM 742 CD2 LEU A 48 -10.112 4.888 -9.908 1.00 0.00 C ATOM 0 H LEU A 48 -7.247 2.171 -10.584 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.903 3.102 -8.573 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.282 1.794 -11.273 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.689 2.096 -10.273 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.744 4.146 -11.376 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -10.825 4.989 -12.515 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.490 3.296 -12.948 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.755 3.675 -11.755 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.144 5.894 -10.327 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.091 4.633 -9.502 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.368 4.850 -9.112 1.00 0.00 H new ATOM 754 N ARG A 49 -10.395 1.184 -7.625 1.00 0.00 N ATOM 755 CA ARG A 49 -11.205 0.133 -6.994 1.00 0.00 C ATOM 756 C ARG A 49 -11.684 -0.909 -8.031 1.00 0.00 C ATOM 757 O ARG A 49 -11.949 -2.060 -7.684 1.00 0.00 O ATOM 758 CB ARG A 49 -12.406 0.778 -6.268 1.00 0.00 C ATOM 759 CG ARG A 49 -13.241 -0.244 -5.481 1.00 0.00 C ATOM 760 CD ARG A 49 -14.315 -0.894 -6.363 1.00 0.00 C ATOM 761 NE ARG A 49 -15.663 -0.567 -5.875 1.00 0.00 N ATOM 762 CZ ARG A 49 -16.736 -1.379 -5.918 1.00 0.00 C ATOM 763 NH1 ARG A 49 -16.674 -2.589 -6.496 1.00 0.00 N ATOM 764 NH2 ARG A 49 -17.891 -0.970 -5.376 1.00 0.00 N ATOM 0 H ARG A 49 -10.724 2.120 -7.387 1.00 0.00 H new ATOM 0 HA ARG A 49 -10.587 -0.396 -6.268 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -12.043 1.547 -5.586 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.043 1.276 -6.999 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.586 -1.015 -5.076 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.715 0.249 -4.632 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -14.203 -0.551 -7.392 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.179 -1.975 -6.371 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.797 0.358 -5.467 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -15.801 -2.910 -6.914 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -17.500 -3.187 -6.517 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.951 -0.052 -4.936 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.710 -1.577 -5.403 1.00 0.00 H new ATOM 778 N GLU A 50 -11.820 -0.475 -9.304 1.00 0.00 N ATOM 779 CA GLU A 50 -12.386 -1.240 -10.416 1.00 0.00 C ATOM 780 C GLU A 50 -11.471 -2.398 -10.849 1.00 0.00 C ATOM 781 O GLU A 50 -11.910 -3.320 -11.540 1.00 0.00 O ATOM 782 CB GLU A 50 -12.647 -0.287 -11.598 1.00 0.00 C ATOM 783 CG GLU A 50 -13.413 -0.982 -12.730 1.00 0.00 C ATOM 784 CD GLU A 50 -14.855 -0.485 -12.915 1.00 0.00 C ATOM 785 OE1 GLU A 50 -14.991 0.650 -13.422 1.00 0.00 O ATOM 786 OE2 GLU A 50 -15.791 -1.232 -12.552 1.00 0.00 O ATOM 0 H GLU A 50 -11.523 0.459 -9.587 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.322 -1.688 -10.083 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -13.215 0.576 -11.251 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.697 0.089 -11.979 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.869 -0.838 -13.663 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.433 -2.054 -12.535 1.00 0.00 H new ATOM 793 N ASN A 51 -10.181 -2.345 -10.455 1.00 0.00 N ATOM 794 CA ASN A 51 -9.145 -3.345 -10.746 1.00 0.00 C ATOM 795 C ASN A 51 -8.590 -3.969 -9.445 1.00 0.00 C ATOM 796 O ASN A 51 -7.563 -4.648 -9.471 1.00 0.00 O ATOM 797 CB ASN A 51 -8.000 -2.691 -11.546 1.00 0.00 C ATOM 798 CG ASN A 51 -8.395 -2.294 -12.980 1.00 0.00 C ATOM 799 OD1 ASN A 51 -9.096 -3.022 -13.676 1.00 0.00 O ATOM 800 ND2 ASN A 51 -7.938 -1.108 -13.405 1.00 0.00 N ATOM 0 H ASN A 51 -9.823 -1.567 -9.901 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.595 -4.142 -11.338 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.658 -1.803 -11.014 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.158 -3.382 -11.589 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.170 -0.778 -14.342 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.358 -0.536 -12.792 1.00 0.00 H new ATOM 807 N VAL A 52 -9.266 -3.710 -8.308 1.00 0.00 N ATOM 808 CA VAL A 52 -8.763 -3.884 -6.938 1.00 0.00 C ATOM 809 C VAL A 52 -9.780 -4.691 -6.102 1.00 0.00 C ATOM 810 O VAL A 52 -10.971 -4.350 -6.088 1.00 0.00 O ATOM 811 CB VAL A 52 -8.483 -2.501 -6.292 1.00 0.00 C ATOM 812 CG1 VAL A 52 -9.189 -2.346 -4.933 1.00 0.00 C ATOM 813 CG2 VAL A 52 -6.981 -2.245 -6.071 1.00 0.00 C ATOM 0 H VAL A 52 -10.223 -3.357 -8.325 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.826 -4.440 -6.967 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.875 -1.774 -7.003 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.966 -1.364 -4.517 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.266 -2.446 -5.069 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.836 -3.118 -4.250 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.842 -1.264 -5.617 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.575 -3.011 -5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.461 -2.278 -7.029 1.00 0.00 H new ATOM 823 N SER A 53 -9.339 -5.765 -5.420 1.00 0.00 N ATOM 824 CA SER A 53 -10.167 -6.622 -4.557 1.00 0.00 C ATOM 825 C SER A 53 -9.422 -7.038 -3.269 1.00 0.00 C ATOM 826 O SER A 53 -8.192 -7.028 -3.233 1.00 0.00 O ATOM 827 CB SER A 53 -10.631 -7.865 -5.339 1.00 0.00 C ATOM 828 OG SER A 53 -9.718 -8.936 -5.195 1.00 0.00 O ATOM 0 H SER A 53 -8.366 -6.068 -5.457 1.00 0.00 H new ATOM 0 HA SER A 53 -11.039 -6.043 -4.252 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.615 -8.173 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.736 -7.614 -6.395 1.00 0.00 H new ATOM 0 HG SER A 53 -10.040 -9.711 -5.701 1.00 0.00 H new ATOM 834 N PHE A 54 -10.193 -7.380 -2.214 1.00 0.00 N ATOM 835 CA PHE A 54 -9.754 -7.419 -0.811 1.00 0.00 C ATOM 836 C PHE A 54 -9.703 -8.859 -0.245 1.00 0.00 C ATOM 837 O PHE A 54 -10.615 -9.663 -0.440 1.00 0.00 O ATOM 838 CB PHE A 54 -10.694 -6.551 0.052 1.00 0.00 C ATOM 839 CG PHE A 54 -10.897 -5.129 -0.455 1.00 0.00 C ATOM 840 CD1 PHE A 54 -11.488 -4.908 -1.722 1.00 0.00 C ATOM 841 CD2 PHE A 54 -10.467 -4.026 0.315 1.00 0.00 C ATOM 842 CE1 PHE A 54 -11.558 -3.604 -2.254 1.00 0.00 C ATOM 843 CE2 PHE A 54 -10.527 -2.720 -0.222 1.00 0.00 C ATOM 844 CZ PHE A 54 -11.037 -2.516 -1.521 1.00 0.00 C ATOM 0 H PHE A 54 -11.172 -7.645 -2.325 1.00 0.00 H new ATOM 0 HA PHE A 54 -8.739 -7.023 -0.777 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.665 -7.042 0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.296 -6.507 1.066 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -11.886 -5.740 -2.283 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -10.092 -4.181 1.316 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.010 -3.438 -3.221 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -10.183 -1.879 0.362 1.00 0.00 H new ATOM 0 HZ PHE A 54 -11.029 -1.527 -1.955 1.00 0.00 H new ATOM 854 N TYR A 55 -8.615 -9.172 0.484 1.00 0.00 N ATOM 855 CA TYR A 55 -8.349 -10.374 1.281 1.00 0.00 C ATOM 856 C TYR A 55 -8.392 -10.072 2.799 1.00 0.00 C ATOM 857 O TYR A 55 -8.604 -8.937 3.221 1.00 0.00 O ATOM 858 CB TYR A 55 -6.955 -10.936 0.919 1.00 0.00 C ATOM 859 CG TYR A 55 -6.665 -10.994 -0.575 1.00 0.00 C ATOM 860 CD1 TYR A 55 -6.374 -9.823 -1.310 1.00 0.00 C ATOM 861 CD2 TYR A 55 -6.722 -12.241 -1.247 1.00 0.00 C ATOM 862 CE1 TYR A 55 -6.164 -9.892 -2.702 1.00 0.00 C ATOM 863 CE2 TYR A 55 -6.545 -12.304 -2.645 1.00 0.00 C ATOM 864 CZ TYR A 55 -6.251 -11.131 -3.373 1.00 0.00 C ATOM 865 OH TYR A 55 -6.053 -11.200 -4.722 1.00 0.00 O ATOM 0 H TYR A 55 -7.828 -8.525 0.531 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.126 -11.104 1.054 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.194 -10.322 1.400 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.863 -11.940 1.333 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.312 -8.871 -0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -6.902 -13.146 -0.686 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.936 -8.994 -3.257 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -6.634 -13.250 -3.158 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.789 -11.697 -5.136 1.00 0.00 H new ATOM 875 N ALA A 56 -8.151 -11.132 3.609 1.00 0.00 N ATOM 876 CA ALA A 56 -7.791 -11.058 5.030 1.00 0.00 C ATOM 877 C ALA A 56 -6.279 -10.803 5.221 1.00 0.00 C ATOM 878 O ALA A 56 -5.890 -10.063 6.130 1.00 0.00 O ATOM 879 CB ALA A 56 -8.210 -12.356 5.739 1.00 0.00 C ATOM 0 H ALA A 56 -8.206 -12.092 3.270 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.323 -10.216 5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.941 -12.298 6.794 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.288 -12.490 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -7.699 -13.202 5.281 1.00 0.00 H new ATOM 885 N ASN A 57 -5.426 -11.424 4.384 1.00 0.00 N ATOM 886 CA ASN A 57 -3.961 -11.423 4.503 1.00 0.00 C ATOM 887 C ASN A 57 -3.282 -11.734 3.149 1.00 0.00 C ATOM 888 O ASN A 57 -3.955 -11.974 2.147 1.00 0.00 O ATOM 889 CB ASN A 57 -3.523 -12.463 5.557 1.00 0.00 C ATOM 890 CG ASN A 57 -3.830 -13.908 5.147 1.00 0.00 C ATOM 891 OD1 ASN A 57 -2.958 -14.616 4.647 1.00 0.00 O ATOM 892 ND2 ASN A 57 -5.075 -14.348 5.350 1.00 0.00 N ATOM 0 H ASN A 57 -5.753 -11.958 3.579 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.649 -10.426 4.815 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.452 -12.362 5.733 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.023 -12.246 6.501 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.328 -15.301 5.087 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.772 -13.731 5.768 1.00 0.00 H new ATOM 899 N ALA A 58 -1.931 -11.722 3.142 1.00 0.00 N ATOM 900 CA ALA A 58 -1.069 -11.733 1.953 1.00 0.00 C ATOM 901 C ALA A 58 -0.913 -13.157 1.376 1.00 0.00 C ATOM 902 O ALA A 58 -0.542 -13.311 0.209 1.00 0.00 O ATOM 903 CB ALA A 58 0.307 -11.144 2.307 1.00 0.00 C ATOM 0 H ALA A 58 -1.393 -11.704 4.008 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.540 -11.120 1.185 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.945 -11.153 1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.185 -10.119 2.656 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.768 -11.742 3.093 1.00 0.00 H new ATOM 909 N SER A 59 -1.176 -14.194 2.193 1.00 0.00 N ATOM 910 CA SER A 59 -1.254 -15.609 1.793 1.00 0.00 C ATOM 911 C SER A 59 -2.508 -15.898 0.940 1.00 0.00 C ATOM 912 O SER A 59 -2.452 -16.706 0.012 1.00 0.00 O ATOM 913 CB SER A 59 -1.209 -16.515 3.039 1.00 0.00 C ATOM 914 OG SER A 59 -2.005 -17.671 2.874 1.00 0.00 O ATOM 0 H SER A 59 -1.347 -14.062 3.190 1.00 0.00 H new ATOM 0 HA SER A 59 -0.389 -15.829 1.168 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.178 -16.808 3.239 1.00 0.00 H new ATOM 0 HB3 SER A 59 -1.555 -15.956 3.908 1.00 0.00 H new ATOM 0 HG SER A 59 -1.952 -18.223 3.682 1.00 0.00 H new ATOM 920 N GLU A 60 -3.629 -15.222 1.250 1.00 0.00 N ATOM 921 CA GLU A 60 -4.855 -15.163 0.435 1.00 0.00 C ATOM 922 C GLU A 60 -4.574 -14.428 -0.894 1.00 0.00 C ATOM 923 O GLU A 60 -5.034 -14.833 -1.961 1.00 0.00 O ATOM 924 CB GLU A 60 -5.987 -14.475 1.227 1.00 0.00 C ATOM 925 CG GLU A 60 -7.145 -15.435 1.562 1.00 0.00 C ATOM 926 CD GLU A 60 -8.510 -14.749 1.695 1.00 0.00 C ATOM 927 OE1 GLU A 60 -8.689 -13.727 0.996 1.00 0.00 O ATOM 928 OE2 GLU A 60 -9.349 -15.239 2.483 1.00 0.00 O ATOM 0 H GLU A 60 -3.708 -14.680 2.110 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.178 -16.177 0.198 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.581 -14.065 2.152 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.372 -13.636 0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.208 -16.196 0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.917 -15.950 2.495 1.00 0.00 H new ATOM 935 N ALA A 61 -3.776 -13.336 -0.809 1.00 0.00 N ATOM 936 CA ALA A 61 -3.279 -12.551 -1.945 1.00 0.00 C ATOM 937 C ALA A 61 -2.272 -13.371 -2.785 1.00 0.00 C ATOM 938 O ALA A 61 -2.229 -13.240 -4.009 1.00 0.00 O ATOM 939 CB ALA A 61 -2.632 -11.251 -1.441 1.00 0.00 C ATOM 0 H ALA A 61 -3.454 -12.972 0.088 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.122 -12.299 -2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.266 -10.674 -2.290 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -3.371 -10.664 -0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.800 -11.491 -0.780 1.00 0.00 H new ATOM 945 N LEU A 62 -1.481 -14.229 -2.113 1.00 0.00 N ATOM 946 CA LEU A 62 -0.615 -15.266 -2.700 1.00 0.00 C ATOM 947 C LEU A 62 -1.466 -16.392 -3.327 1.00 0.00 C ATOM 948 O LEU A 62 -1.136 -16.919 -4.389 1.00 0.00 O ATOM 949 CB LEU A 62 0.315 -15.848 -1.614 1.00 0.00 C ATOM 950 CG LEU A 62 1.807 -15.475 -1.745 1.00 0.00 C ATOM 951 CD1 LEU A 62 2.565 -15.973 -0.504 1.00 0.00 C ATOM 952 CD2 LEU A 62 2.454 -16.080 -3.002 1.00 0.00 C ATOM 0 H LEU A 62 -1.427 -14.216 -1.095 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.010 -14.812 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.040 -15.514 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.228 -16.934 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 62 1.867 -14.390 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.619 -15.712 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.149 -15.506 0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.465 -17.056 -0.427 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.503 -15.788 -3.048 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.381 -17.167 -2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.937 -15.715 -3.889 1.00 0.00 H new ATOM 964 N ALA A 63 -2.584 -16.740 -2.650 1.00 0.00 N ATOM 965 CA ALA A 63 -3.614 -17.685 -3.101 1.00 0.00 C ATOM 966 C ALA A 63 -4.277 -17.209 -4.413 1.00 0.00 C ATOM 967 O ALA A 63 -4.776 -18.026 -5.189 1.00 0.00 O ATOM 968 CB ALA A 63 -4.673 -17.869 -2.002 1.00 0.00 C ATOM 0 H ALA A 63 -2.796 -16.348 -1.733 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.134 -18.643 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.434 -18.571 -2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.199 -18.258 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.139 -16.909 -1.781 1.00 0.00 H new ATOM 974 N ALA A 64 -4.272 -15.885 -4.657 1.00 0.00 N ATOM 975 CA ALA A 64 -4.679 -15.242 -5.916 1.00 0.00 C ATOM 976 C ALA A 64 -3.537 -15.258 -6.956 1.00 0.00 C ATOM 977 O ALA A 64 -3.763 -14.970 -8.132 1.00 0.00 O ATOM 978 CB ALA A 64 -5.134 -13.800 -5.641 1.00 0.00 C ATOM 0 H ALA A 64 -3.972 -15.210 -3.954 1.00 0.00 H new ATOM 0 HA ALA A 64 -5.511 -15.809 -6.334 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.434 -13.329 -6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.979 -13.810 -4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.312 -13.237 -5.199 1.00 0.00 H new ATOM 984 N GLY A 65 -2.313 -15.613 -6.519 1.00 0.00 N ATOM 985 CA GLY A 65 -1.121 -15.795 -7.358 1.00 0.00 C ATOM 986 C GLY A 65 -0.389 -14.461 -7.614 1.00 0.00 C ATOM 987 O GLY A 65 0.175 -14.255 -8.690 1.00 0.00 O ATOM 0 H GLY A 65 -2.124 -15.787 -5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.440 -16.496 -6.875 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.412 -16.238 -8.310 1.00 0.00 H new ATOM 991 N PHE A 66 -0.414 -13.549 -6.622 1.00 0.00 N ATOM 992 CA PHE A 66 0.183 -12.208 -6.671 1.00 0.00 C ATOM 993 C PHE A 66 1.494 -12.158 -5.857 1.00 0.00 C ATOM 994 O PHE A 66 1.796 -13.088 -5.107 1.00 0.00 O ATOM 995 CB PHE A 66 -0.815 -11.162 -6.135 1.00 0.00 C ATOM 996 CG PHE A 66 -2.101 -11.014 -6.939 1.00 0.00 C ATOM 997 CD1 PHE A 66 -2.486 -12.020 -7.854 1.00 0.00 C ATOM 998 CD2 PHE A 66 -2.910 -9.863 -6.784 1.00 0.00 C ATOM 999 CE1 PHE A 66 -3.711 -11.914 -8.548 1.00 0.00 C ATOM 1000 CE2 PHE A 66 -4.125 -9.751 -7.493 1.00 0.00 C ATOM 1001 CZ PHE A 66 -4.527 -10.778 -8.373 1.00 0.00 C ATOM 0 H PHE A 66 -0.871 -13.739 -5.730 1.00 0.00 H new ATOM 0 HA PHE A 66 0.417 -11.977 -7.710 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.076 -11.425 -5.110 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.316 -10.194 -6.098 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.842 -12.871 -8.023 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.597 -9.069 -6.122 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.023 -12.705 -9.214 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.748 -8.878 -7.362 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.459 -10.694 -8.912 1.00 0.00 H new ATOM 1011 N ARG A 67 2.263 -11.060 -5.995 1.00 0.00 N ATOM 1012 CA ARG A 67 3.595 -10.869 -5.406 1.00 0.00 C ATOM 1013 C ARG A 67 3.657 -9.571 -4.562 1.00 0.00 C ATOM 1014 O ARG A 67 2.930 -8.624 -4.869 1.00 0.00 O ATOM 1015 CB ARG A 67 4.650 -10.832 -6.535 1.00 0.00 C ATOM 1016 CG ARG A 67 4.934 -12.219 -7.117 1.00 0.00 C ATOM 1017 CD ARG A 67 4.972 -13.343 -6.075 1.00 0.00 C ATOM 1018 NE ARG A 67 6.363 -13.583 -5.662 1.00 0.00 N ATOM 1019 CZ ARG A 67 7.386 -13.930 -6.460 1.00 0.00 C ATOM 1020 NH1 ARG A 67 7.218 -14.087 -7.783 1.00 0.00 N ATOM 1021 NH2 ARG A 67 8.595 -14.123 -5.916 1.00 0.00 N ATOM 0 H ARG A 67 1.958 -10.254 -6.541 1.00 0.00 H new ATOM 0 HA ARG A 67 3.805 -11.703 -4.737 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.304 -10.172 -7.330 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.576 -10.407 -6.149 1.00 0.00 H new ATOM 0 HG2 ARG A 67 4.170 -12.452 -7.859 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.890 -12.192 -7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 67 4.366 -13.072 -5.210 1.00 0.00 H new ATOM 0 HD3 ARG A 67 4.543 -14.254 -6.492 1.00 0.00 H new ATOM 0 HE ARG A 67 6.572 -13.475 -4.669 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.299 -13.942 -8.201 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.009 -14.351 -8.370 1.00 0.00 H new ATOM 0 HH21 ARG A 67 8.727 -14.006 -4.911 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.384 -14.387 -6.506 1.00 0.00 H new ATOM 1035 N PRO A 68 4.474 -9.508 -3.483 1.00 0.00 N ATOM 1036 CA PRO A 68 4.432 -8.457 -2.452 1.00 0.00 C ATOM 1037 C PRO A 68 5.004 -7.091 -2.893 1.00 0.00 C ATOM 1038 O PRO A 68 6.214 -6.959 -3.085 1.00 0.00 O ATOM 1039 CB PRO A 68 5.191 -9.022 -1.239 1.00 0.00 C ATOM 1040 CG PRO A 68 5.487 -10.482 -1.581 1.00 0.00 C ATOM 1041 CD PRO A 68 5.495 -10.482 -3.104 1.00 0.00 C ATOM 0 HA PRO A 68 3.391 -8.227 -2.222 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.112 -8.467 -1.060 1.00 0.00 H new ATOM 0 HB3 PRO A 68 4.592 -8.946 -0.332 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.444 -10.806 -1.172 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.726 -11.152 -1.181 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.473 -10.202 -3.494 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.265 -11.471 -3.501 1.00 0.00 H new ATOM 1049 N CYS A 69 4.126 -6.085 -3.065 1.00 0.00 N ATOM 1050 CA CYS A 69 4.422 -4.734 -3.568 1.00 0.00 C ATOM 1051 C CYS A 69 5.721 -4.188 -2.939 1.00 0.00 C ATOM 1052 O CYS A 69 6.082 -4.579 -1.825 1.00 0.00 O ATOM 1053 CB CYS A 69 3.196 -3.833 -3.293 1.00 0.00 C ATOM 1054 SG CYS A 69 3.480 -2.066 -3.653 1.00 0.00 S ATOM 0 H CYS A 69 3.137 -6.201 -2.844 1.00 0.00 H new ATOM 0 HA CYS A 69 4.599 -4.756 -4.643 1.00 0.00 H new ATOM 0 HB2 CYS A 69 2.357 -4.185 -3.893 1.00 0.00 H new ATOM 0 HB3 CYS A 69 2.907 -3.939 -2.247 1.00 0.00 H new ATOM 1059 N LYS A 70 6.419 -3.273 -3.640 1.00 0.00 N ATOM 1060 CA LYS A 70 7.783 -2.821 -3.329 1.00 0.00 C ATOM 1061 C LYS A 70 7.772 -1.773 -2.192 1.00 0.00 C ATOM 1062 O LYS A 70 8.809 -1.180 -1.890 1.00 0.00 O ATOM 1063 CB LYS A 70 8.449 -2.267 -4.606 1.00 0.00 C ATOM 1064 CG LYS A 70 9.985 -2.242 -4.510 1.00 0.00 C ATOM 1065 CD LYS A 70 10.588 -3.634 -4.275 1.00 0.00 C ATOM 1066 CE LYS A 70 10.238 -4.562 -5.449 1.00 0.00 C ATOM 1067 NZ LYS A 70 10.932 -4.170 -6.687 1.00 0.00 N ATOM 0 H LYS A 70 6.033 -2.815 -4.465 1.00 0.00 H new ATOM 0 HA LYS A 70 8.369 -3.670 -2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.152 -2.876 -5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.084 -1.257 -4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.395 -1.824 -5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.283 -1.580 -3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.670 -3.558 -4.171 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.207 -4.052 -3.344 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.505 -5.587 -5.193 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.161 -4.545 -5.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 10.791 -4.903 -7.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.547 -3.267 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.949 -4.063 -6.496 1.00 0.00 H new ATOM 1081 N ARG A 71 6.597 -1.531 -1.581 1.00 0.00 N ATOM 1082 CA ARG A 71 6.266 -0.361 -0.750 1.00 0.00 C ATOM 1083 C ARG A 71 5.512 -0.782 0.529 1.00 0.00 C ATOM 1084 O ARG A 71 5.868 -0.363 1.631 1.00 0.00 O ATOM 1085 CB ARG A 71 5.426 0.616 -1.605 1.00 0.00 C ATOM 1086 CG ARG A 71 5.803 2.088 -1.399 1.00 0.00 C ATOM 1087 CD ARG A 71 6.815 2.566 -2.449 1.00 0.00 C ATOM 1088 NE ARG A 71 8.187 2.506 -1.923 1.00 0.00 N ATOM 1089 CZ ARG A 71 9.291 2.964 -2.542 1.00 0.00 C ATOM 1090 NH1 ARG A 71 9.246 3.437 -3.797 1.00 0.00 N ATOM 1091 NH2 ARG A 71 10.463 2.946 -1.890 1.00 0.00 N ATOM 0 H ARG A 71 5.814 -2.180 -1.658 1.00 0.00 H new ATOM 0 HA ARG A 71 7.181 0.133 -0.423 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.548 0.362 -2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 71 4.371 0.482 -1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.906 2.704 -1.451 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.223 2.220 -0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.737 1.947 -3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.580 3.588 -2.747 1.00 0.00 H new ATOM 0 HE ARG A 71 8.314 2.078 -1.006 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.361 3.455 -4.304 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.097 3.778 -4.244 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.510 2.588 -0.936 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.307 3.290 -2.348 1.00 0.00 H new ATOM 1105 N CYS A 72 4.453 -1.606 0.373 1.00 0.00 N ATOM 1106 CA CYS A 72 3.450 -1.925 1.399 1.00 0.00 C ATOM 1107 C CYS A 72 3.757 -3.278 2.075 1.00 0.00 C ATOM 1108 O CYS A 72 3.910 -3.343 3.296 1.00 0.00 O ATOM 1109 CB CYS A 72 2.040 -1.900 0.768 1.00 0.00 C ATOM 1110 SG CYS A 72 1.866 -0.507 -0.387 1.00 0.00 S ATOM 0 H CYS A 72 4.271 -2.084 -0.509 1.00 0.00 H new ATOM 0 HA CYS A 72 3.487 -1.169 2.184 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.856 -2.837 0.243 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.288 -1.822 1.553 1.00 0.00 H new ATOM 1115 N GLN A 73 3.865 -4.355 1.273 1.00 0.00 N ATOM 1116 CA GLN A 73 4.353 -5.677 1.687 1.00 0.00 C ATOM 1117 C GLN A 73 5.891 -5.653 1.873 1.00 0.00 C ATOM 1118 O GLN A 73 6.585 -5.102 1.016 1.00 0.00 O ATOM 1119 CB GLN A 73 3.938 -6.691 0.600 1.00 0.00 C ATOM 1120 CG GLN A 73 3.025 -7.823 1.108 1.00 0.00 C ATOM 1121 CD GLN A 73 2.017 -7.397 2.188 1.00 0.00 C ATOM 1122 OE1 GLN A 73 1.203 -6.512 1.941 1.00 0.00 O ATOM 1123 NE2 GLN A 73 2.058 -8.003 3.381 1.00 0.00 N ATOM 0 H GLN A 73 3.605 -4.323 0.287 1.00 0.00 H new ATOM 0 HA GLN A 73 3.920 -5.963 2.645 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.426 -6.158 -0.201 1.00 0.00 H new ATOM 0 HB3 GLN A 73 4.837 -7.131 0.167 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.477 -8.237 0.262 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.648 -8.623 1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 73 2.746 -8.735 3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 73 1.402 -7.732 4.113 1.00 0.00 H new ATOM 1132 N PRO A 74 6.448 -6.199 2.984 1.00 0.00 N ATOM 1133 CA PRO A 74 7.867 -6.068 3.354 1.00 0.00 C ATOM 1134 C PRO A 74 8.828 -6.314 2.169 1.00 0.00 C ATOM 1135 O PRO A 74 9.194 -7.458 1.894 1.00 0.00 O ATOM 1136 CB PRO A 74 8.095 -7.085 4.484 1.00 0.00 C ATOM 1137 CG PRO A 74 6.724 -7.183 5.147 1.00 0.00 C ATOM 1138 CD PRO A 74 5.768 -7.042 3.962 1.00 0.00 C ATOM 0 HA PRO A 74 8.084 -5.048 3.671 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.425 -8.049 4.097 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.858 -6.744 5.184 1.00 0.00 H new ATOM 0 HG2 PRO A 74 6.591 -8.133 5.664 1.00 0.00 H new ATOM 0 HG3 PRO A 74 6.574 -6.395 5.885 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.530 -8.017 3.536 1.00 0.00 H new ATOM 0 HD3 PRO A 74 4.826 -6.592 4.274 1.00 0.00 H new ATOM 1146 N ASP A 75 9.228 -5.235 1.469 1.00 0.00 N ATOM 1147 CA ASP A 75 10.105 -5.257 0.291 1.00 0.00 C ATOM 1148 C ASP A 75 11.061 -4.045 0.284 1.00 0.00 C ATOM 1149 O ASP A 75 12.249 -4.193 0.585 1.00 0.00 O ATOM 1150 CB ASP A 75 9.239 -5.307 -0.989 1.00 0.00 C ATOM 1151 CG ASP A 75 9.621 -6.449 -1.937 1.00 0.00 C ATOM 1152 OD1 ASP A 75 10.769 -6.423 -2.435 1.00 0.00 O ATOM 1153 OD2 ASP A 75 8.762 -7.334 -2.144 1.00 0.00 O ATOM 0 H ASP A 75 8.936 -4.291 1.721 1.00 0.00 H new ATOM 0 HA ASP A 75 10.730 -6.149 0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.192 -5.414 -0.706 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.331 -4.359 -1.519 1.00 0.00 H new ATOM 1158 N LYS A 76 10.545 -2.843 -0.037 1.00 0.00 N ATOM 1159 CA LYS A 76 11.240 -1.556 0.128 1.00 0.00 C ATOM 1160 C LYS A 76 10.337 -0.554 0.880 1.00 0.00 C ATOM 1161 O LYS A 76 9.849 0.410 0.289 1.00 0.00 O ATOM 1162 CB LYS A 76 11.666 -1.024 -1.258 1.00 0.00 C ATOM 1163 CG LYS A 76 13.013 -0.280 -1.238 1.00 0.00 C ATOM 1164 CD LYS A 76 13.786 -0.460 -2.554 1.00 0.00 C ATOM 1165 CE LYS A 76 14.446 0.861 -2.978 1.00 0.00 C ATOM 1166 NZ LYS A 76 14.677 0.920 -4.432 1.00 0.00 N ATOM 0 H LYS A 76 9.609 -2.740 -0.428 1.00 0.00 H new ATOM 0 HA LYS A 76 12.139 -1.693 0.729 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.731 -1.859 -1.956 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.894 -0.353 -1.635 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.839 0.781 -1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.618 -0.646 -0.409 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.547 -1.231 -2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.108 -0.802 -3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.813 1.696 -2.677 1.00 0.00 H new ATOM 0 HE3 LYS A 76 15.395 0.976 -2.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.124 1.827 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.302 0.139 -4.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.769 0.836 -4.932 1.00 0.00 H new ATOM 1180 N ALA A 77 10.134 -0.781 2.193 1.00 0.00 N ATOM 1181 CA ALA A 77 9.506 0.150 3.140 1.00 0.00 C ATOM 1182 C ALA A 77 10.495 1.251 3.582 1.00 0.00 C ATOM 1183 O ALA A 77 11.670 1.217 3.211 1.00 0.00 O ATOM 1184 CB ALA A 77 8.981 -0.624 4.360 1.00 0.00 C ATOM 0 H ALA A 77 10.416 -1.655 2.637 1.00 0.00 H new ATOM 0 HA ALA A 77 8.670 0.638 2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.516 0.071 5.059 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.244 -1.359 4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.810 -1.134 4.852 1.00 0.00 H new ATOM 1190 N ASN A 78 10.009 2.233 4.366 1.00 0.00 N ATOM 1191 CA ASN A 78 10.811 3.210 5.116 1.00 0.00 C ATOM 1192 C ASN A 78 11.175 4.426 4.228 1.00 0.00 C ATOM 1193 O ASN A 78 11.402 4.247 3.030 1.00 0.00 O ATOM 1194 CB ASN A 78 12.099 2.540 5.639 1.00 0.00 C ATOM 1195 CG ASN A 78 12.642 3.188 6.918 1.00 0.00 C ATOM 1196 OD1 ASN A 78 11.898 3.419 7.869 1.00 0.00 O ATOM 1197 ND2 ASN A 78 13.943 3.490 6.944 1.00 0.00 N ATOM 0 H ASN A 78 9.007 2.370 4.497 1.00 0.00 H new ATOM 0 HA ASN A 78 10.218 3.565 5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 78 11.900 1.486 5.830 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.864 2.585 4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.349 3.927 7.772 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.531 3.284 6.136 1.00 0.00 H new ATOM 1204 N PRO A 79 11.202 5.671 4.768 1.00 0.00 N ATOM 1205 CA PRO A 79 11.260 6.916 3.985 1.00 0.00 C ATOM 1206 C PRO A 79 12.631 7.124 3.301 1.00 0.00 C ATOM 1207 O PRO A 79 13.637 6.582 3.761 1.00 0.00 O ATOM 1208 CB PRO A 79 10.961 8.040 4.989 1.00 0.00 C ATOM 1209 CG PRO A 79 11.485 7.473 6.309 1.00 0.00 C ATOM 1210 CD PRO A 79 11.121 5.993 6.189 1.00 0.00 C ATOM 0 HA PRO A 79 10.541 6.894 3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 79 11.467 8.967 4.719 1.00 0.00 H new ATOM 0 HB3 PRO A 79 9.895 8.262 5.040 1.00 0.00 H new ATOM 0 HG2 PRO A 79 12.559 7.621 6.418 1.00 0.00 H new ATOM 0 HG3 PRO A 79 11.010 7.941 7.171 1.00 0.00 H new ATOM 0 HD2 PRO A 79 11.807 5.375 6.769 1.00 0.00 H new ATOM 0 HD3 PRO A 79 10.119 5.805 6.575 1.00 0.00 H new ATOM 1218 N ARG A 80 12.659 7.925 2.220 1.00 0.00 N ATOM 1219 CA ARG A 80 13.787 8.139 1.299 1.00 0.00 C ATOM 1220 C ARG A 80 14.764 6.943 1.288 1.00 0.00 C ATOM 1221 O ARG A 80 14.468 5.899 0.706 1.00 0.00 O ATOM 1222 CB ARG A 80 14.507 9.447 1.694 1.00 0.00 C ATOM 1223 CG ARG A 80 15.743 9.741 0.831 1.00 0.00 C ATOM 1224 CD ARG A 80 16.873 10.368 1.659 1.00 0.00 C ATOM 1225 NE ARG A 80 17.703 11.252 0.827 1.00 0.00 N ATOM 1226 CZ ARG A 80 18.271 12.405 1.227 1.00 0.00 C ATOM 1227 NH1 ARG A 80 18.194 12.817 2.502 1.00 0.00 N ATOM 1228 NH2 ARG A 80 18.929 13.157 0.333 1.00 0.00 N ATOM 0 H ARG A 80 11.842 8.474 1.951 1.00 0.00 H new ATOM 0 HA ARG A 80 13.401 8.224 0.283 1.00 0.00 H new ATOM 0 HB2 ARG A 80 13.807 10.279 1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 80 14.808 9.387 2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 80 16.096 8.817 0.373 1.00 0.00 H new ATOM 0 HG3 ARG A 80 15.469 10.415 0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 80 16.450 10.934 2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 80 17.492 9.582 2.092 1.00 0.00 H new ATOM 0 HE ARG A 80 17.862 10.966 -0.139 1.00 0.00 H new ATOM 0 HH11 ARG A 80 17.697 12.253 3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 80 18.632 13.694 2.782 1.00 0.00 H new ATOM 0 HH21 ARG A 80 18.995 12.853 -0.639 1.00 0.00 H new ATOM 0 HH22 ARG A 80 19.363 14.033 0.624 1.00 0.00 H new ATOM 1242 N GLN A 81 15.941 7.115 1.925 1.00 0.00 N ATOM 1243 CA GLN A 81 17.053 6.156 1.950 1.00 0.00 C ATOM 1244 C GLN A 81 17.366 5.635 0.531 1.00 0.00 C ATOM 1245 O GLN A 81 17.253 4.436 0.270 1.00 0.00 O ATOM 1246 CB GLN A 81 16.706 5.004 2.916 1.00 0.00 C ATOM 1247 CG GLN A 81 17.932 4.460 3.675 1.00 0.00 C ATOM 1248 CD GLN A 81 19.285 4.796 3.032 1.00 0.00 C ATOM 1249 OE1 GLN A 81 19.528 4.421 1.886 1.00 0.00 O ATOM 1250 NE2 GLN A 81 20.173 5.498 3.742 1.00 0.00 N ATOM 0 H GLN A 81 16.146 7.962 2.456 1.00 0.00 H new ATOM 0 HA GLN A 81 17.954 6.654 2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 81 15.966 5.353 3.636 1.00 0.00 H new ATOM 0 HB3 GLN A 81 16.245 4.192 2.353 1.00 0.00 H new ATOM 0 HG2 GLN A 81 17.919 4.856 4.690 1.00 0.00 H new ATOM 0 HG3 GLN A 81 17.842 3.377 3.755 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.946 5.797 4.690 1.00 0.00 H new ATOM 0 HE22 GLN A 81 21.078 5.735 3.335 1.00 0.00 H new ATOM 1259 N HIS A 82 17.776 6.539 -0.380 1.00 0.00 N ATOM 1260 CA HIS A 82 18.139 6.247 -1.773 1.00 0.00 C ATOM 1261 C HIS A 82 19.645 5.934 -1.910 1.00 0.00 C ATOM 1262 O HIS A 82 20.052 5.229 -2.835 1.00 0.00 O ATOM 1263 CB HIS A 82 17.717 7.418 -2.694 1.00 0.00 C ATOM 1264 CG HIS A 82 16.263 7.799 -2.550 1.00 0.00 C ATOM 1265 ND1 HIS A 82 15.246 6.850 -2.680 1.00 0.00 N ATOM 1266 CD2 HIS A 82 15.699 9.021 -2.292 1.00 0.00 C ATOM 1267 CE1 HIS A 82 14.115 7.535 -2.490 1.00 0.00 C ATOM 1268 NE2 HIS A 82 14.332 8.839 -2.255 1.00 0.00 N ATOM 0 H HIS A 82 17.865 7.529 -0.153 1.00 0.00 H new ATOM 0 HA HIS A 82 17.598 5.354 -2.087 1.00 0.00 H new ATOM 0 HB2 HIS A 82 18.337 8.287 -2.472 1.00 0.00 H new ATOM 0 HB3 HIS A 82 17.912 7.144 -3.731 1.00 0.00 H new ATOM 0 HD2 HIS A 82 16.226 9.952 -2.145 1.00 0.00 H new ATOM 0 HE1 HIS A 82 13.132 7.088 -2.522 1.00 0.00 H new ATOM 0 HE2 HIS A 82 13.625 9.554 -2.083 1.00 0.00 H new ATOM 1276 N ARG A 83 20.470 6.469 -0.989 1.00 0.00 N ATOM 1277 CA ARG A 83 21.938 6.458 -1.047 1.00 0.00 C ATOM 1278 C ARG A 83 22.459 7.411 -2.145 1.00 0.00 C ATOM 1279 O ARG A 83 22.780 6.966 -3.249 1.00 0.00 O ATOM 1280 CB ARG A 83 22.428 5.013 -1.277 1.00 0.00 C ATOM 1281 CG ARG A 83 23.921 4.837 -0.956 1.00 0.00 C ATOM 1282 CD ARG A 83 24.578 3.804 -1.881 1.00 0.00 C ATOM 1283 NE ARG A 83 25.906 4.261 -2.318 1.00 0.00 N ATOM 1284 CZ ARG A 83 27.029 4.242 -1.578 1.00 0.00 C ATOM 1285 NH1 ARG A 83 27.011 3.862 -0.290 1.00 0.00 N ATOM 1286 NH2 ARG A 83 28.190 4.610 -2.137 1.00 0.00 N ATOM 0 H ARG A 83 20.116 6.937 -0.155 1.00 0.00 H new ATOM 0 HA ARG A 83 22.336 6.819 -0.098 1.00 0.00 H new ATOM 0 HB2 ARG A 83 21.844 4.332 -0.657 1.00 0.00 H new ATOM 0 HB3 ARG A 83 22.248 4.733 -2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 83 24.431 5.795 -1.058 1.00 0.00 H new ATOM 0 HG3 ARG A 83 24.036 4.523 0.081 1.00 0.00 H new ATOM 0 HD2 ARG A 83 24.670 2.851 -1.361 1.00 0.00 H new ATOM 0 HD3 ARG A 83 23.943 3.633 -2.751 1.00 0.00 H new ATOM 0 HE ARG A 83 25.982 4.625 -3.268 1.00 0.00 H new ATOM 0 HH11 ARG A 83 26.133 3.580 0.146 1.00 0.00 H new ATOM 0 HH12 ARG A 83 27.875 3.855 0.252 1.00 0.00 H new ATOM 0 HH21 ARG A 83 28.216 4.901 -3.114 1.00 0.00 H new ATOM 0 HH22 ARG A 83 29.048 4.599 -1.585 1.00 0.00 H new ATOM 1300 N LEU A 84 22.541 8.718 -1.838 1.00 0.00 N ATOM 1301 CA LEU A 84 22.935 9.809 -2.747 1.00 0.00 C ATOM 1302 C LEU A 84 22.902 11.188 -2.044 1.00 0.00 C ATOM 1303 O LEU A 84 21.823 11.708 -1.756 1.00 0.00 O ATOM 1304 CB LEU A 84 22.022 9.834 -3.990 1.00 0.00 C ATOM 1305 CG LEU A 84 22.713 10.192 -5.323 1.00 0.00 C ATOM 1306 CD1 LEU A 84 21.948 9.524 -6.477 1.00 0.00 C ATOM 1307 CD2 LEU A 84 22.762 11.709 -5.568 1.00 0.00 C ATOM 0 H LEU A 84 22.323 9.059 -0.902 1.00 0.00 H new ATOM 0 HA LEU A 84 23.962 9.615 -3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 84 21.556 8.854 -4.095 1.00 0.00 H new ATOM 0 HB3 LEU A 84 21.220 10.551 -3.814 1.00 0.00 H new ATOM 0 HG LEU A 84 23.740 9.832 -5.271 1.00 0.00 H new ATOM 0 HD11 LEU A 84 22.429 9.771 -7.423 1.00 0.00 H new ATOM 0 HD12 LEU A 84 21.953 8.443 -6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.919 9.884 -6.488 1.00 0.00 H new ATOM 0 HD21 LEU A 84 23.258 11.908 -6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 84 21.747 12.106 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 84 23.316 12.190 -4.762 1.00 0.00 H new ATOM 1319 N ASP A 85 24.086 11.762 -1.760 1.00 0.00 N ATOM 1320 CA ASP A 85 24.278 12.968 -0.943 1.00 0.00 C ATOM 1321 C ASP A 85 24.743 14.160 -1.808 1.00 0.00 C ATOM 1322 O ASP A 85 24.056 15.180 -1.880 1.00 0.00 O ATOM 1323 CB ASP A 85 25.285 12.658 0.189 1.00 0.00 C ATOM 1324 CG ASP A 85 24.632 12.553 1.571 1.00 0.00 C ATOM 1325 OD1 ASP A 85 23.479 12.070 1.629 1.00 0.00 O ATOM 1326 OD2 ASP A 85 25.294 12.962 2.550 1.00 0.00 O ATOM 0 H ASP A 85 24.966 11.382 -2.108 1.00 0.00 H new ATOM 0 HA ASP A 85 23.326 13.257 -0.498 1.00 0.00 H new ATOM 0 HB2 ASP A 85 25.796 11.722 -0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 85 26.045 13.439 0.213 1.00 0.00 H new ATOM 1331 N LYS A 86 25.912 14.025 -2.463 1.00 0.00 N ATOM 1332 CA LYS A 86 26.437 14.952 -3.475 1.00 0.00 C ATOM 1333 C LYS A 86 27.015 16.217 -2.802 1.00 0.00 C ATOM 1334 O LYS A 86 26.860 17.323 -3.323 1.00 0.00 O ATOM 1335 CB LYS A 86 25.325 15.305 -4.486 1.00 0.00 C ATOM 1336 CG LYS A 86 25.815 15.251 -5.943 1.00 0.00 C ATOM 1337 CD LYS A 86 25.446 13.933 -6.638 1.00 0.00 C ATOM 1338 CE LYS A 86 26.530 12.878 -6.367 1.00 0.00 C ATOM 1339 NZ LYS A 86 26.511 11.799 -7.369 1.00 0.00 N ATOM 0 H LYS A 86 26.537 13.237 -2.293 1.00 0.00 H new ATOM 0 HA LYS A 86 27.250 14.470 -4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 86 24.492 14.614 -4.361 1.00 0.00 H new ATOM 0 HB3 LYS A 86 24.946 16.304 -4.270 1.00 0.00 H new ATOM 0 HG2 LYS A 86 25.385 16.084 -6.499 1.00 0.00 H new ATOM 0 HG3 LYS A 86 26.897 15.379 -5.964 1.00 0.00 H new ATOM 0 HD2 LYS A 86 24.482 13.578 -6.275 1.00 0.00 H new ATOM 0 HD3 LYS A 86 25.343 14.094 -7.711 1.00 0.00 H new ATOM 0 HE2 LYS A 86 27.510 13.356 -6.367 1.00 0.00 H new ATOM 0 HE3 LYS A 86 26.383 12.453 -5.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 27.257 11.109 -7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 25.585 11.325 -7.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 26.677 12.200 -8.314 1.00 0.00 H new ATOM 1353 N ILE A 87 27.685 16.046 -1.646 1.00 0.00 N ATOM 1354 CA ILE A 87 28.485 17.072 -0.962 1.00 0.00 C ATOM 1355 C ILE A 87 29.786 16.426 -0.438 1.00 0.00 C ATOM 1356 O ILE A 87 29.929 16.206 0.766 1.00 0.00 O ATOM 1357 CB ILE A 87 27.678 17.725 0.193 1.00 0.00 C ATOM 1358 CG1 ILE A 87 26.516 16.828 0.679 1.00 0.00 C ATOM 1359 CG2 ILE A 87 27.133 19.101 -0.242 1.00 0.00 C ATOM 1360 CD1 ILE A 87 25.586 17.506 1.697 1.00 0.00 C ATOM 0 H ILE A 87 27.682 15.156 -1.147 1.00 0.00 H new ATOM 0 HA ILE A 87 28.737 17.865 -1.666 1.00 0.00 H new ATOM 0 HB ILE A 87 28.366 17.853 1.029 1.00 0.00 H new ATOM 0 HG12 ILE A 87 25.927 16.515 -0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 87 26.931 15.925 1.127 1.00 0.00 H new ATOM 0 HG21 ILE A 87 26.570 19.545 0.579 1.00 0.00 H new ATOM 0 HG22 ILE A 87 27.964 19.754 -0.507 1.00 0.00 H new ATOM 0 HG23 ILE A 87 26.479 18.977 -1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 87 24.798 16.812 1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 87 26.159 17.794 2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 87 25.140 18.394 1.248 1.00 0.00 H new ATOM 1372 N THR A 88 30.733 16.125 -1.348 1.00 0.00 N ATOM 1373 CA THR A 88 32.049 15.543 -1.052 1.00 0.00 C ATOM 1374 C THR A 88 32.832 16.464 -0.092 1.00 0.00 C ATOM 1375 O THR A 88 32.481 17.634 0.071 1.00 0.00 O ATOM 1376 CB THR A 88 32.824 15.299 -2.369 1.00 0.00 C ATOM 1377 OG1 THR A 88 32.704 16.424 -3.220 1.00 0.00 O ATOM 1378 CG2 THR A 88 32.328 14.063 -3.138 1.00 0.00 C ATOM 0 H THR A 88 30.593 16.288 -2.345 1.00 0.00 H new ATOM 0 HA THR A 88 31.920 14.581 -0.556 1.00 0.00 H new ATOM 0 HB THR A 88 33.862 15.129 -2.083 1.00 0.00 H new ATOM 0 HG1 THR A 88 33.199 16.261 -4.050 1.00 0.00 H new ATOM 0 HG21 THR A 88 32.910 13.945 -4.052 1.00 0.00 H new ATOM 0 HG22 THR A 88 32.446 13.176 -2.516 1.00 0.00 H new ATOM 0 HG23 THR A 88 31.276 14.191 -3.392 1.00 0.00 H new ATOM 1386 N HIS A 89 33.891 15.930 0.546 1.00 0.00 N ATOM 1387 CA HIS A 89 34.652 16.571 1.628 1.00 0.00 C ATOM 1388 C HIS A 89 35.840 17.388 1.074 1.00 0.00 C ATOM 1389 O HIS A 89 36.936 16.851 0.904 1.00 0.00 O ATOM 1390 CB HIS A 89 35.120 15.511 2.654 1.00 0.00 C ATOM 1391 CG HIS A 89 34.151 14.365 2.817 1.00 0.00 C ATOM 1392 ND1 HIS A 89 34.201 13.246 1.982 1.00 0.00 N ATOM 1393 CD2 HIS A 89 33.129 14.202 3.715 1.00 0.00 C ATOM 1394 CE1 HIS A 89 33.212 12.457 2.410 1.00 0.00 C ATOM 1395 NE2 HIS A 89 32.541 12.983 3.447 1.00 0.00 N ATOM 0 H HIS A 89 34.251 15.005 0.311 1.00 0.00 H new ATOM 0 HA HIS A 89 33.995 17.274 2.140 1.00 0.00 H new ATOM 0 HB2 HIS A 89 36.088 15.117 2.343 1.00 0.00 H new ATOM 0 HB3 HIS A 89 35.268 15.992 3.621 1.00 0.00 H new ATOM 0 HD2 HIS A 89 32.838 14.898 4.488 1.00 0.00 H new ATOM 0 HE1 HIS A 89 32.977 11.499 1.969 1.00 0.00 H new ATOM 0 HE2 HIS A 89 31.752 12.564 3.940 1.00 0.00 H new ATOM 1403 N ALA A 90 35.615 18.685 0.792 1.00 0.00 N ATOM 1404 CA ALA A 90 36.634 19.658 0.372 1.00 0.00 C ATOM 1405 C ALA A 90 36.146 21.102 0.619 1.00 0.00 C ATOM 1406 O ALA A 90 36.599 21.759 1.557 1.00 0.00 O ATOM 1407 CB ALA A 90 36.979 19.460 -1.114 1.00 0.00 C ATOM 0 H ALA A 90 34.684 19.096 0.853 1.00 0.00 H new ATOM 0 HA ALA A 90 37.532 19.493 0.967 1.00 0.00 H new ATOM 0 HB1 ALA A 90 37.735 20.187 -1.412 1.00 0.00 H new ATOM 0 HB2 ALA A 90 37.365 18.452 -1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 90 36.082 19.601 -1.718 1.00 0.00 H new ATOM 1413 N CYS A 91 35.224 21.593 -0.233 1.00 0.00 N ATOM 1414 CA CYS A 91 34.601 22.921 -0.146 1.00 0.00 C ATOM 1415 C CYS A 91 33.580 22.961 1.012 1.00 0.00 C ATOM 1416 O CYS A 91 33.026 21.927 1.388 1.00 0.00 O ATOM 1417 CB CYS A 91 33.941 23.273 -1.494 1.00 0.00 C ATOM 1418 SG CYS A 91 33.425 25.016 -1.554 1.00 0.00 S ATOM 0 H CYS A 91 34.883 21.053 -1.028 1.00 0.00 H new ATOM 0 HA CYS A 91 35.366 23.668 0.065 1.00 0.00 H new ATOM 0 HB2 CYS A 91 34.641 23.072 -2.305 1.00 0.00 H new ATOM 0 HB3 CYS A 91 33.075 22.631 -1.654 1.00 0.00 H new ATOM 0 HG CYS A 91 32.878 25.267 -2.706 1.00 0.00 H new ATOM 1424 N ARG A 92 33.335 24.161 1.574 1.00 0.00 N ATOM 1425 CA ARG A 92 32.409 24.410 2.688 1.00 0.00 C ATOM 1426 C ARG A 92 31.465 25.572 2.342 1.00 0.00 C ATOM 1427 O ARG A 92 30.325 25.598 2.804 1.00 0.00 O ATOM 1428 CB ARG A 92 33.217 24.700 3.986 1.00 0.00 C ATOM 1429 CG ARG A 92 34.488 25.576 3.801 1.00 0.00 C ATOM 1430 CD ARG A 92 34.752 26.477 5.019 1.00 0.00 C ATOM 1431 NE ARG A 92 34.225 25.823 6.252 1.00 0.00 N ATOM 1432 CZ ARG A 92 34.903 24.982 7.027 1.00 0.00 C ATOM 1433 NH1 ARG A 92 36.116 24.580 6.767 1.00 0.00 N ATOM 1434 NH2 ARG A 92 34.330 24.536 8.099 1.00 0.00 N ATOM 1435 OXT ARG A 92 31.912 26.624 1.482 1.00 0.00 O ATOM 0 H ARG A 92 33.795 25.012 1.250 1.00 0.00 H new ATOM 0 HA ARG A 92 31.797 23.525 2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 92 32.558 25.193 4.701 1.00 0.00 H new ATOM 0 HB3 ARG A 92 33.514 23.749 4.429 1.00 0.00 H new ATOM 0 HG2 ARG A 92 35.351 24.931 3.634 1.00 0.00 H new ATOM 0 HG3 ARG A 92 34.375 26.195 2.911 1.00 0.00 H new ATOM 0 HD2 ARG A 92 35.821 26.661 5.122 1.00 0.00 H new ATOM 0 HD3 ARG A 92 34.274 27.446 4.877 1.00 0.00 H new ATOM 0 HE ARG A 92 33.266 26.039 6.523 1.00 0.00 H new ATOM 0 HH11 ARG A 92 36.595 24.913 5.930 1.00 0.00 H new ATOM 0 HH12 ARG A 92 36.586 23.933 7.400 1.00 0.00 H new ATOM 0 HH21 ARG A 92 33.382 24.831 8.331 1.00 0.00 H new ATOM 0 HH22 ARG A 92 34.827 23.890 8.712 1.00 0.00 H new TER 1449 ARG A 92 HETATM 1450 ZN ZN A 93 1.673 -1.013 -2.569 1.00 0.00 ZN