USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 600 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 52 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Set 1.2: A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.131 (180deg=-0.502) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 7 SER OG : rot -50:sc= 0.575 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 19 SER OG : rot 55:sc= 0.131 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 171:sc= -0.0169 (180deg=-0.121) USER MOD Single : A 26 GLN : amide:sc= -1.04 K(o=-1,f=-2!) USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0408 USER MOD Single : A 45 SER OG : rot 54:sc= 0.0966 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0.532 (180deg=0.532) USER MOD Single : A 54 HIS : no HD1:sc= -0.432 X(o=-0.43,f=-0.029) USER MOD Single : A 55 SER OG : rot 51:sc= 0.0627 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0102 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 50:sc= 0.288 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.989 7.503 -27.030 1.00 0.00 N ATOM 2 CA MET A 1 19.775 8.409 -25.879 1.00 0.00 C ATOM 3 C MET A 1 20.926 9.403 -25.746 1.00 0.00 C ATOM 4 O MET A 1 21.211 9.901 -24.656 1.00 0.00 O ATOM 5 CB MET A 1 19.614 7.599 -24.588 1.00 0.00 C ATOM 6 CG MET A 1 20.778 6.666 -24.294 1.00 0.00 C ATOM 7 SD MET A 1 20.490 5.635 -22.845 1.00 0.00 S ATOM 8 CE MET A 1 21.989 4.655 -22.836 1.00 0.00 C ATOM 0 H1 MET A 1 19.334 6.698 -26.965 1.00 0.00 H new ATOM 0 H2 MET A 1 19.815 8.020 -27.916 1.00 0.00 H new ATOM 0 H3 MET A 1 20.969 7.154 -27.019 1.00 0.00 H new ATOM 0 HA MET A 1 18.859 8.974 -26.054 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.494 8.288 -23.752 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.698 7.012 -24.652 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.955 6.028 -25.160 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.682 7.256 -24.142 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.966 3.963 -21.994 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.062 4.093 -23.767 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.853 5.313 -22.741 1.00 0.00 H new ATOM 20 N VAL A 2 21.582 9.691 -26.861 1.00 0.00 N ATOM 21 CA VAL A 2 22.669 10.656 -26.883 1.00 0.00 C ATOM 22 C VAL A 2 22.118 12.062 -27.112 1.00 0.00 C ATOM 23 O VAL A 2 21.255 12.271 -27.969 1.00 0.00 O ATOM 24 CB VAL A 2 23.712 10.303 -27.974 1.00 0.00 C ATOM 25 CG1 VAL A 2 23.040 10.113 -29.326 1.00 0.00 C ATOM 26 CG2 VAL A 2 24.798 11.366 -28.063 1.00 0.00 C ATOM 0 H VAL A 2 21.378 9.267 -27.766 1.00 0.00 H new ATOM 0 HA VAL A 2 23.171 10.623 -25.916 1.00 0.00 H new ATOM 0 HB VAL A 2 24.183 9.362 -27.689 1.00 0.00 H new ATOM 0 HG11 VAL A 2 23.793 9.866 -30.075 1.00 0.00 H new ATOM 0 HG12 VAL A 2 22.314 9.303 -29.261 1.00 0.00 H new ATOM 0 HG13 VAL A 2 22.532 11.034 -29.612 1.00 0.00 H new ATOM 0 HG21 VAL A 2 25.514 11.090 -28.837 1.00 0.00 H new ATOM 0 HG22 VAL A 2 24.347 12.327 -28.312 1.00 0.00 H new ATOM 0 HG23 VAL A 2 25.311 11.443 -27.104 1.00 0.00 H new ATOM 36 N LEU A 3 22.609 13.023 -26.338 1.00 0.00 N ATOM 37 CA LEU A 3 22.129 14.398 -26.421 1.00 0.00 C ATOM 38 C LEU A 3 22.794 15.145 -27.574 1.00 0.00 C ATOM 39 O LEU A 3 23.407 16.197 -27.380 1.00 0.00 O ATOM 40 CB LEU A 3 22.390 15.137 -25.108 1.00 0.00 C ATOM 41 CG LEU A 3 21.694 14.561 -23.876 1.00 0.00 C ATOM 42 CD1 LEU A 3 21.948 15.446 -22.669 1.00 0.00 C ATOM 43 CD2 LEU A 3 20.200 14.407 -24.118 1.00 0.00 C ATOM 0 H LEU A 3 23.341 12.875 -25.644 1.00 0.00 H new ATOM 0 HA LEU A 3 21.055 14.363 -26.605 1.00 0.00 H new ATOM 0 HB2 LEU A 3 23.464 15.147 -24.925 1.00 0.00 H new ATOM 0 HB3 LEU A 3 22.078 16.174 -25.228 1.00 0.00 H new ATOM 0 HG LEU A 3 22.108 13.572 -23.680 1.00 0.00 H new ATOM 0 HD11 LEU A 3 21.447 15.025 -21.797 1.00 0.00 H new ATOM 0 HD12 LEU A 3 23.020 15.503 -22.479 1.00 0.00 H new ATOM 0 HD13 LEU A 3 21.560 16.446 -22.863 1.00 0.00 H new ATOM 0 HD21 LEU A 3 19.728 13.995 -23.226 1.00 0.00 H new ATOM 0 HD22 LEU A 3 19.765 15.381 -24.342 1.00 0.00 H new ATOM 0 HD23 LEU A 3 20.035 13.734 -24.960 1.00 0.00 H new ATOM 55 N ARG A 4 22.663 14.597 -28.772 1.00 0.00 N ATOM 56 CA ARG A 4 23.267 15.191 -29.956 1.00 0.00 C ATOM 57 C ARG A 4 22.309 16.177 -30.615 1.00 0.00 C ATOM 58 O ARG A 4 22.724 17.028 -31.401 1.00 0.00 O ATOM 59 CB ARG A 4 23.671 14.103 -30.956 1.00 0.00 C ATOM 60 CG ARG A 4 22.511 13.233 -31.407 1.00 0.00 C ATOM 61 CD ARG A 4 22.950 12.173 -32.404 1.00 0.00 C ATOM 62 NE ARG A 4 21.855 11.267 -32.736 1.00 0.00 N ATOM 63 CZ ARG A 4 21.912 10.334 -33.687 1.00 0.00 C ATOM 64 NH1 ARG A 4 23.004 10.193 -34.430 1.00 0.00 N ATOM 65 NH2 ARG A 4 20.866 9.546 -33.899 1.00 0.00 N ATOM 0 H ARG A 4 22.142 13.739 -28.951 1.00 0.00 H new ATOM 0 HA ARG A 4 24.161 15.732 -29.644 1.00 0.00 H new ATOM 0 HB2 ARG A 4 24.123 14.573 -31.829 1.00 0.00 H new ATOM 0 HB3 ARG A 4 24.435 13.470 -30.504 1.00 0.00 H new ATOM 0 HG2 ARG A 4 22.061 12.751 -30.539 1.00 0.00 H new ATOM 0 HG3 ARG A 4 21.742 13.859 -31.859 1.00 0.00 H new ATOM 0 HD2 ARG A 4 23.314 12.654 -33.312 1.00 0.00 H new ATOM 0 HD3 ARG A 4 23.782 11.604 -31.989 1.00 0.00 H new ATOM 0 HE ARG A 4 20.988 11.353 -32.205 1.00 0.00 H new ATOM 0 HH11 ARG A 4 23.808 10.801 -34.275 1.00 0.00 H new ATOM 0 HH12 ARG A 4 23.038 9.476 -35.155 1.00 0.00 H new ATOM 0 HH21 ARG A 4 20.023 9.655 -33.336 1.00 0.00 H new ATOM 0 HH22 ARG A 4 20.905 8.831 -34.625 1.00 0.00 H new ATOM 79 N GLN A 5 21.029 16.057 -30.295 1.00 0.00 N ATOM 80 CA GLN A 5 20.012 16.932 -30.862 1.00 0.00 C ATOM 81 C GLN A 5 19.529 17.932 -29.820 1.00 0.00 C ATOM 82 O GLN A 5 19.454 19.133 -30.083 1.00 0.00 O ATOM 83 CB GLN A 5 18.830 16.112 -31.386 1.00 0.00 C ATOM 84 CG GLN A 5 19.202 15.142 -32.497 1.00 0.00 C ATOM 85 CD GLN A 5 18.031 14.299 -32.960 1.00 0.00 C ATOM 86 OE1 GLN A 5 16.878 14.724 -32.897 1.00 0.00 O ATOM 87 NE2 GLN A 5 18.320 13.097 -33.433 1.00 0.00 N ATOM 0 H GLN A 5 20.669 15.360 -29.643 1.00 0.00 H new ATOM 0 HA GLN A 5 20.457 17.478 -31.694 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.393 15.553 -30.559 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.061 16.793 -31.752 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.597 15.702 -33.344 1.00 0.00 H new ATOM 0 HG3 GLN A 5 20.000 14.486 -32.148 1.00 0.00 H new ATOM 0 HE21 GLN A 5 19.290 12.782 -33.468 1.00 0.00 H new ATOM 0 HE22 GLN A 5 17.573 12.485 -33.762 1.00 0.00 H new ATOM 96 N LEU A 6 19.205 17.428 -28.638 1.00 0.00 N ATOM 97 CA LEU A 6 18.735 18.270 -27.546 1.00 0.00 C ATOM 98 C LEU A 6 19.655 18.131 -26.341 1.00 0.00 C ATOM 99 O LEU A 6 19.491 17.225 -25.526 1.00 0.00 O ATOM 100 CB LEU A 6 17.302 17.891 -27.157 1.00 0.00 C ATOM 101 CG LEU A 6 16.251 18.069 -28.255 1.00 0.00 C ATOM 102 CD1 LEU A 6 14.904 17.539 -27.790 1.00 0.00 C ATOM 103 CD2 LEU A 6 16.133 19.532 -28.654 1.00 0.00 C ATOM 0 H LEU A 6 19.259 16.435 -28.410 1.00 0.00 H new ATOM 0 HA LEU A 6 18.744 19.307 -27.881 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.295 16.849 -26.837 1.00 0.00 H new ATOM 0 HB3 LEU A 6 17.007 18.491 -26.296 1.00 0.00 H new ATOM 0 HG LEU A 6 16.569 17.499 -29.128 1.00 0.00 H new ATOM 0 HD11 LEU A 6 14.167 17.673 -28.582 1.00 0.00 H new ATOM 0 HD12 LEU A 6 14.993 16.479 -27.552 1.00 0.00 H new ATOM 0 HD13 LEU A 6 14.585 18.085 -26.902 1.00 0.00 H new ATOM 0 HD21 LEU A 6 15.381 19.636 -29.436 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.840 20.123 -27.787 1.00 0.00 H new ATOM 0 HD23 LEU A 6 17.094 19.886 -29.026 1.00 0.00 H new ATOM 115 N SER A 7 20.628 19.020 -26.238 1.00 0.00 N ATOM 116 CA SER A 7 21.582 18.982 -25.141 1.00 0.00 C ATOM 117 C SER A 7 21.033 19.718 -23.920 1.00 0.00 C ATOM 118 O SER A 7 20.996 19.170 -22.819 1.00 0.00 O ATOM 119 CB SER A 7 22.908 19.599 -25.585 1.00 0.00 C ATOM 120 OG SER A 7 23.309 19.079 -26.844 1.00 0.00 O ATOM 0 H SER A 7 20.779 19.779 -26.902 1.00 0.00 H new ATOM 0 HA SER A 7 21.751 17.942 -24.861 1.00 0.00 H new ATOM 0 HB2 SER A 7 22.807 20.682 -25.649 1.00 0.00 H new ATOM 0 HB3 SER A 7 23.677 19.394 -24.840 1.00 0.00 H new ATOM 0 HG SER A 7 23.260 18.100 -26.824 1.00 0.00 H new ATOM 126 N ARG A 8 20.597 20.953 -24.121 1.00 0.00 N ATOM 127 CA ARG A 8 20.046 21.750 -23.032 1.00 0.00 C ATOM 128 C ARG A 8 18.540 21.900 -23.183 1.00 0.00 C ATOM 129 O ARG A 8 17.822 22.118 -22.206 1.00 0.00 O ATOM 130 CB ARG A 8 20.713 23.128 -22.975 1.00 0.00 C ATOM 131 CG ARG A 8 20.621 23.921 -24.270 1.00 0.00 C ATOM 132 CD ARG A 8 21.328 25.262 -24.151 1.00 0.00 C ATOM 133 NE ARG A 8 22.736 25.104 -23.793 1.00 0.00 N ATOM 134 CZ ARG A 8 23.580 26.116 -23.605 1.00 0.00 C ATOM 135 NH1 ARG A 8 23.170 27.371 -23.759 1.00 0.00 N ATOM 136 NH2 ARG A 8 24.840 25.873 -23.263 1.00 0.00 N ATOM 0 H ARG A 8 20.613 21.425 -25.025 1.00 0.00 H new ATOM 0 HA ARG A 8 20.250 21.228 -22.097 1.00 0.00 H new ATOM 0 HB2 ARG A 8 20.255 23.708 -22.174 1.00 0.00 H new ATOM 0 HB3 ARG A 8 21.764 23.000 -22.715 1.00 0.00 H new ATOM 0 HG2 ARG A 8 21.064 23.346 -25.083 1.00 0.00 H new ATOM 0 HG3 ARG A 8 19.574 24.082 -24.526 1.00 0.00 H new ATOM 0 HD2 ARG A 8 21.252 25.798 -25.097 1.00 0.00 H new ATOM 0 HD3 ARG A 8 20.828 25.871 -23.398 1.00 0.00 H new ATOM 0 HE ARG A 8 23.096 24.156 -23.680 1.00 0.00 H new ATOM 0 HH11 ARG A 8 22.204 27.563 -24.023 1.00 0.00 H new ATOM 0 HH12 ARG A 8 23.822 28.142 -23.613 1.00 0.00 H new ATOM 0 HH21 ARG A 8 25.160 24.912 -23.145 1.00 0.00 H new ATOM 0 HH22 ARG A 8 25.488 26.648 -23.119 1.00 0.00 H new ATOM 150 N LYS A 9 18.064 21.756 -24.409 1.00 0.00 N ATOM 151 CA LYS A 9 16.645 21.894 -24.690 1.00 0.00 C ATOM 152 C LYS A 9 15.937 20.549 -24.599 1.00 0.00 C ATOM 153 O LYS A 9 14.885 20.343 -25.201 1.00 0.00 O ATOM 154 CB LYS A 9 16.431 22.540 -26.058 1.00 0.00 C ATOM 155 CG LYS A 9 16.934 23.972 -26.112 1.00 0.00 C ATOM 156 CD LYS A 9 16.718 24.603 -27.473 1.00 0.00 C ATOM 157 CE LYS A 9 17.223 26.034 -27.493 1.00 0.00 C ATOM 158 NZ LYS A 9 17.146 26.632 -28.850 1.00 0.00 N ATOM 0 H LYS A 9 18.639 21.544 -25.224 1.00 0.00 H new ATOM 0 HA LYS A 9 16.208 22.547 -23.935 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.943 21.950 -26.818 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.369 22.522 -26.302 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.422 24.564 -25.353 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.996 23.992 -25.869 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.235 24.020 -28.235 1.00 0.00 H new ATOM 0 HD3 LYS A 9 15.657 24.584 -27.723 1.00 0.00 H new ATOM 0 HE2 LYS A 9 16.637 26.635 -26.798 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.255 26.059 -27.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.500 27.609 -28.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.726 26.074 -29.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.158 26.632 -29.174 1.00 0.00 H new ATOM 172 N ALA A 10 16.533 19.635 -23.845 1.00 0.00 N ATOM 173 CA ALA A 10 15.879 18.382 -23.517 1.00 0.00 C ATOM 174 C ALA A 10 15.167 18.532 -22.182 1.00 0.00 C ATOM 175 O ALA A 10 14.087 17.981 -21.970 1.00 0.00 O ATOM 176 CB ALA A 10 16.883 17.239 -23.467 1.00 0.00 C ATOM 0 H ALA A 10 17.468 19.741 -23.451 1.00 0.00 H new ATOM 0 HA ALA A 10 15.152 18.143 -24.293 1.00 0.00 H new ATOM 0 HB1 ALA A 10 16.367 16.312 -23.219 1.00 0.00 H new ATOM 0 HB2 ALA A 10 17.366 17.137 -24.439 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.636 17.449 -22.707 1.00 0.00 H new ATOM 182 N SER A 11 15.788 19.291 -21.287 1.00 0.00 N ATOM 183 CA SER A 11 15.190 19.614 -20.006 1.00 0.00 C ATOM 184 C SER A 11 14.329 20.867 -20.137 1.00 0.00 C ATOM 185 O SER A 11 13.128 20.845 -19.857 1.00 0.00 O ATOM 186 CB SER A 11 16.281 19.821 -18.949 1.00 0.00 C ATOM 187 OG SER A 11 15.723 20.116 -17.679 1.00 0.00 O ATOM 0 H SER A 11 16.713 19.695 -21.431 1.00 0.00 H new ATOM 0 HA SER A 11 14.557 18.785 -19.690 1.00 0.00 H new ATOM 0 HB2 SER A 11 16.896 18.924 -18.878 1.00 0.00 H new ATOM 0 HB3 SER A 11 16.938 20.634 -19.257 1.00 0.00 H new ATOM 0 HG SER A 11 16.443 20.241 -17.026 1.00 0.00 H new ATOM 193 N VAL A 12 14.946 21.957 -20.581 1.00 0.00 N ATOM 194 CA VAL A 12 14.230 23.207 -20.768 1.00 0.00 C ATOM 195 C VAL A 12 13.842 23.366 -22.222 1.00 0.00 C ATOM 196 O VAL A 12 14.692 23.503 -23.100 1.00 0.00 O ATOM 197 CB VAL A 12 15.062 24.423 -20.343 1.00 0.00 C ATOM 198 CG1 VAL A 12 14.236 25.700 -20.423 1.00 0.00 C ATOM 199 CG2 VAL A 12 15.615 24.223 -18.944 1.00 0.00 C ATOM 0 H VAL A 12 15.938 21.997 -20.817 1.00 0.00 H new ATOM 0 HA VAL A 12 13.343 23.164 -20.136 1.00 0.00 H new ATOM 0 HB VAL A 12 15.901 24.523 -21.032 1.00 0.00 H new ATOM 0 HG11 VAL A 12 14.848 26.549 -20.117 1.00 0.00 H new ATOM 0 HG12 VAL A 12 13.895 25.849 -21.448 1.00 0.00 H new ATOM 0 HG13 VAL A 12 13.373 25.617 -19.762 1.00 0.00 H new ATOM 0 HG21 VAL A 12 16.203 25.095 -18.657 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.791 24.094 -18.242 1.00 0.00 H new ATOM 0 HG23 VAL A 12 16.249 23.336 -18.927 1.00 0.00 H new ATOM 209 N LYS A 13 12.555 23.353 -22.457 1.00 0.00 N ATOM 210 CA LYS A 13 12.020 23.406 -23.807 1.00 0.00 C ATOM 211 C LYS A 13 11.233 24.690 -24.023 1.00 0.00 C ATOM 212 O LYS A 13 10.823 24.997 -25.144 1.00 0.00 O ATOM 213 CB LYS A 13 11.151 22.176 -24.074 1.00 0.00 C ATOM 214 CG LYS A 13 11.942 20.876 -24.041 1.00 0.00 C ATOM 215 CD LYS A 13 11.081 19.662 -24.355 1.00 0.00 C ATOM 216 CE LYS A 13 10.041 19.403 -23.276 1.00 0.00 C ATOM 217 NZ LYS A 13 9.350 18.101 -23.477 1.00 0.00 N ATOM 0 H LYS A 13 11.845 23.306 -21.726 1.00 0.00 H new ATOM 0 HA LYS A 13 12.849 23.402 -24.515 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.355 22.131 -23.330 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.672 22.280 -25.048 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.759 20.933 -24.760 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.392 20.753 -23.056 1.00 0.00 H new ATOM 0 HD2 LYS A 13 10.581 19.811 -25.312 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.718 18.784 -24.462 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.522 19.412 -22.298 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.307 20.209 -23.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.649 17.960 -22.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.870 18.101 -24.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.047 17.330 -23.450 1.00 0.00 H new ATOM 231 N VAL A 14 11.039 25.433 -22.933 1.00 0.00 N ATOM 232 CA VAL A 14 10.387 26.737 -22.955 1.00 0.00 C ATOM 233 C VAL A 14 8.896 26.633 -23.279 1.00 0.00 C ATOM 234 O VAL A 14 8.049 26.861 -22.412 1.00 0.00 O ATOM 235 CB VAL A 14 11.070 27.702 -23.948 1.00 0.00 C ATOM 236 CG1 VAL A 14 10.435 29.080 -23.872 1.00 0.00 C ATOM 237 CG2 VAL A 14 12.565 27.784 -23.674 1.00 0.00 C ATOM 0 H VAL A 14 11.334 25.141 -22.001 1.00 0.00 H new ATOM 0 HA VAL A 14 10.489 27.141 -21.948 1.00 0.00 H new ATOM 0 HB VAL A 14 10.929 27.314 -24.957 1.00 0.00 H new ATOM 0 HG11 VAL A 14 10.929 29.747 -24.578 1.00 0.00 H new ATOM 0 HG12 VAL A 14 9.376 29.007 -24.121 1.00 0.00 H new ATOM 0 HG13 VAL A 14 10.544 29.476 -22.862 1.00 0.00 H new ATOM 0 HG21 VAL A 14 13.028 28.469 -24.384 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.730 28.147 -22.660 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.009 26.795 -23.782 1.00 0.00 H new ATOM 247 N SER A 15 8.579 26.288 -24.516 1.00 0.00 N ATOM 248 CA SER A 15 7.197 26.231 -24.959 1.00 0.00 C ATOM 249 C SER A 15 6.833 24.820 -25.405 1.00 0.00 C ATOM 250 O SER A 15 7.444 24.263 -26.322 1.00 0.00 O ATOM 251 CB SER A 15 6.964 27.228 -26.098 1.00 0.00 C ATOM 252 OG SER A 15 5.583 27.348 -26.399 1.00 0.00 O ATOM 0 H SER A 15 9.262 26.043 -25.232 1.00 0.00 H new ATOM 0 HA SER A 15 6.555 26.501 -24.121 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.364 28.203 -25.819 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.506 26.903 -26.986 1.00 0.00 H new ATOM 0 HG SER A 15 5.462 27.992 -27.128 1.00 0.00 H new ATOM 258 N LYS A 16 5.841 24.245 -24.742 1.00 0.00 N ATOM 259 CA LYS A 16 5.374 22.905 -25.056 1.00 0.00 C ATOM 260 C LYS A 16 3.852 22.914 -25.205 1.00 0.00 C ATOM 261 O LYS A 16 3.135 22.161 -24.544 1.00 0.00 O ATOM 262 CB LYS A 16 5.810 21.933 -23.955 1.00 0.00 C ATOM 263 CG LYS A 16 5.558 20.466 -24.276 1.00 0.00 C ATOM 264 CD LYS A 16 5.943 19.565 -23.112 1.00 0.00 C ATOM 265 CE LYS A 16 5.117 19.867 -21.869 1.00 0.00 C ATOM 266 NZ LYS A 16 5.528 19.031 -20.713 1.00 0.00 N ATOM 0 H LYS A 16 5.340 24.692 -23.975 1.00 0.00 H new ATOM 0 HA LYS A 16 5.812 22.575 -25.998 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.874 22.073 -23.764 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.285 22.186 -23.034 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.505 20.321 -24.516 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.129 20.183 -25.160 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.803 18.522 -23.397 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.001 19.695 -22.886 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.223 20.921 -21.610 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.062 19.696 -22.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.941 19.268 -19.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.403 18.026 -20.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.528 19.213 -20.491 1.00 0.00 H new ATOM 280 N THR A 17 3.360 23.802 -26.051 1.00 0.00 N ATOM 281 CA THR A 17 1.940 23.901 -26.317 1.00 0.00 C ATOM 282 C THR A 17 1.702 24.361 -27.752 1.00 0.00 C ATOM 283 O THR A 17 2.358 25.291 -28.225 1.00 0.00 O ATOM 284 CB THR A 17 1.249 24.875 -25.344 1.00 0.00 C ATOM 285 OG1 THR A 17 1.525 24.495 -23.990 1.00 0.00 O ATOM 286 CG2 THR A 17 -0.250 24.874 -25.573 1.00 0.00 C ATOM 0 H THR A 17 3.931 24.470 -26.569 1.00 0.00 H new ATOM 0 HA THR A 17 1.509 22.910 -26.174 1.00 0.00 H new ATOM 0 HB THR A 17 1.637 25.878 -25.525 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.083 25.120 -23.378 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.725 25.567 -24.878 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.462 25.184 -26.596 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.642 23.870 -25.409 1.00 0.00 H new ATOM 294 N TRP A 18 0.787 23.676 -28.444 1.00 0.00 N ATOM 295 CA TRP A 18 0.469 23.961 -29.846 1.00 0.00 C ATOM 296 C TRP A 18 1.671 23.681 -30.740 1.00 0.00 C ATOM 297 O TRP A 18 1.686 24.040 -31.917 1.00 0.00 O ATOM 298 CB TRP A 18 -0.003 25.409 -30.035 1.00 0.00 C ATOM 299 CG TRP A 18 -1.269 25.731 -29.302 1.00 0.00 C ATOM 300 CD1 TRP A 18 -1.405 26.574 -28.239 1.00 0.00 C ATOM 301 CD2 TRP A 18 -2.575 25.211 -29.573 1.00 0.00 C ATOM 302 NE1 TRP A 18 -2.715 26.613 -27.833 1.00 0.00 N ATOM 303 CE2 TRP A 18 -3.452 25.785 -28.635 1.00 0.00 C ATOM 304 CE3 TRP A 18 -3.088 24.318 -30.518 1.00 0.00 C ATOM 305 CZ2 TRP A 18 -4.812 25.495 -28.615 1.00 0.00 C ATOM 306 CZ3 TRP A 18 -4.439 24.030 -30.495 1.00 0.00 C ATOM 307 CH2 TRP A 18 -5.287 24.618 -29.550 1.00 0.00 C ATOM 0 H TRP A 18 0.246 22.908 -28.048 1.00 0.00 H new ATOM 0 HA TRP A 18 -0.348 23.300 -30.135 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.783 26.085 -29.698 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -0.151 25.597 -31.098 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.599 27.130 -27.783 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.080 27.169 -27.059 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -2.441 23.862 -31.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.469 25.947 -27.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.847 23.340 -31.218 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -6.339 24.374 -29.559 1.00 0.00 H new ATOM 318 N SER A 19 2.670 23.028 -30.171 1.00 0.00 N ATOM 319 CA SER A 19 3.881 22.690 -30.890 1.00 0.00 C ATOM 320 C SER A 19 3.622 21.549 -31.868 1.00 0.00 C ATOM 321 O SER A 19 3.679 20.378 -31.505 1.00 0.00 O ATOM 322 CB SER A 19 4.973 22.323 -29.885 1.00 0.00 C ATOM 323 OG SER A 19 4.412 21.705 -28.735 1.00 0.00 O ATOM 0 H SER A 19 2.662 22.719 -29.199 1.00 0.00 H new ATOM 0 HA SER A 19 4.213 23.549 -31.473 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.692 21.649 -30.352 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.520 23.219 -29.592 1.00 0.00 H new ATOM 0 HG SER A 19 3.867 20.938 -29.009 1.00 0.00 H new ATOM 329 N GLY A 20 3.312 21.905 -33.107 1.00 0.00 N ATOM 330 CA GLY A 20 2.995 20.912 -34.115 1.00 0.00 C ATOM 331 C GLY A 20 1.501 20.700 -34.244 1.00 0.00 C ATOM 332 O GLY A 20 1.008 20.397 -35.328 1.00 0.00 O ATOM 0 H GLY A 20 3.274 22.870 -33.434 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.402 21.227 -35.076 1.00 0.00 H new ATOM 0 HA3 GLY A 20 3.476 19.968 -33.859 1.00 0.00 H new ATOM 336 N THR A 21 0.796 20.899 -33.122 1.00 0.00 N ATOM 337 CA THR A 21 -0.656 20.723 -33.004 1.00 0.00 C ATOM 338 C THR A 21 -1.180 19.491 -33.762 1.00 0.00 C ATOM 339 O THR A 21 -1.194 18.388 -33.212 1.00 0.00 O ATOM 340 CB THR A 21 -1.449 22.025 -33.354 1.00 0.00 C ATOM 341 OG1 THR A 21 -2.814 21.729 -33.668 1.00 0.00 O ATOM 342 CG2 THR A 21 -0.817 22.824 -34.491 1.00 0.00 C ATOM 0 H THR A 21 1.232 21.195 -32.249 1.00 0.00 H new ATOM 0 HA THR A 21 -0.844 20.522 -31.949 1.00 0.00 H new ATOM 0 HB THR A 21 -1.410 22.648 -32.460 1.00 0.00 H new ATOM 0 HG1 THR A 21 -3.288 22.560 -33.881 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.414 23.715 -34.685 1.00 0.00 H new ATOM 0 HG22 THR A 21 0.194 23.119 -34.210 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.779 22.209 -35.390 1.00 0.00 H new ATOM 350 N LYS A 22 -1.577 19.660 -35.015 1.00 0.00 N ATOM 351 CA LYS A 22 -2.126 18.560 -35.801 1.00 0.00 C ATOM 352 C LYS A 22 -1.040 17.549 -36.143 1.00 0.00 C ATOM 353 O LYS A 22 -1.278 16.341 -36.146 1.00 0.00 O ATOM 354 CB LYS A 22 -2.780 19.089 -37.078 1.00 0.00 C ATOM 355 CG LYS A 22 -4.005 19.955 -36.824 1.00 0.00 C ATOM 356 CD LYS A 22 -5.152 19.149 -36.232 1.00 0.00 C ATOM 357 CE LYS A 22 -6.389 20.010 -36.025 1.00 0.00 C ATOM 358 NZ LYS A 22 -7.563 19.208 -35.590 1.00 0.00 N ATOM 0 H LYS A 22 -1.530 20.550 -35.512 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.887 18.059 -35.202 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.046 19.668 -37.638 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.066 18.245 -37.706 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.742 20.767 -36.145 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.327 20.413 -37.759 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.393 18.317 -36.894 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -4.843 18.719 -35.279 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.177 20.775 -35.278 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.629 20.528 -36.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.383 19.835 -35.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.783 18.494 -36.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.345 18.733 -34.691 1.00 0.00 H new ATOM 372 N LYS A 23 0.163 18.048 -36.392 1.00 0.00 N ATOM 373 CA LYS A 23 1.300 17.200 -36.719 1.00 0.00 C ATOM 374 C LYS A 23 1.938 16.662 -35.447 1.00 0.00 C ATOM 375 O LYS A 23 2.985 16.021 -35.481 1.00 0.00 O ATOM 376 CB LYS A 23 2.332 17.986 -37.529 1.00 0.00 C ATOM 377 CG LYS A 23 1.759 18.628 -38.781 1.00 0.00 C ATOM 378 CD LYS A 23 1.221 17.588 -39.751 1.00 0.00 C ATOM 379 CE LYS A 23 0.508 18.239 -40.921 1.00 0.00 C ATOM 380 NZ LYS A 23 1.386 19.189 -41.653 1.00 0.00 N ATOM 0 H LYS A 23 0.377 19.045 -36.373 1.00 0.00 H new ATOM 0 HA LYS A 23 0.947 16.361 -37.319 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.763 18.762 -36.897 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.145 17.318 -37.813 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.960 19.315 -38.504 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.531 19.219 -39.273 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.042 16.973 -40.120 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.534 16.922 -39.229 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.159 17.467 -41.607 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.374 18.767 -40.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.914 19.494 -42.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.575 20.018 -41.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.284 18.720 -41.889 1.00 0.00 H new ATOM 394 N ARG A 24 1.294 16.939 -34.326 1.00 0.00 N ATOM 395 CA ARG A 24 1.747 16.455 -33.037 1.00 0.00 C ATOM 396 C ARG A 24 0.759 15.416 -32.521 1.00 0.00 C ATOM 397 O ARG A 24 1.146 14.324 -32.107 1.00 0.00 O ATOM 398 CB ARG A 24 1.875 17.633 -32.058 1.00 0.00 C ATOM 399 CG ARG A 24 2.617 17.316 -30.766 1.00 0.00 C ATOM 400 CD ARG A 24 1.725 16.646 -29.735 1.00 0.00 C ATOM 401 NE ARG A 24 2.449 16.367 -28.498 1.00 0.00 N ATOM 402 CZ ARG A 24 1.913 15.788 -27.428 1.00 0.00 C ATOM 403 NH1 ARG A 24 0.626 15.458 -27.414 1.00 0.00 N ATOM 404 NH2 ARG A 24 2.669 15.546 -26.366 1.00 0.00 N ATOM 0 H ARG A 24 0.446 17.504 -34.286 1.00 0.00 H new ATOM 0 HA ARG A 24 2.727 15.988 -33.133 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.388 18.452 -32.563 1.00 0.00 H new ATOM 0 HB3 ARG A 24 0.876 17.989 -31.808 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.464 16.666 -30.987 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.023 18.237 -30.348 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.871 17.288 -29.520 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.330 15.716 -30.144 1.00 0.00 H new ATOM 0 HE ARG A 24 3.432 16.634 -28.452 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.042 15.649 -28.228 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.222 15.014 -26.589 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.656 15.804 -26.373 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.264 15.102 -25.542 1.00 0.00 H new ATOM 418 N ALA A 25 -0.523 15.766 -32.571 1.00 0.00 N ATOM 419 CA ALA A 25 -1.585 14.877 -32.122 1.00 0.00 C ATOM 420 C ALA A 25 -1.681 13.647 -33.016 1.00 0.00 C ATOM 421 O ALA A 25 -1.495 12.522 -32.551 1.00 0.00 O ATOM 422 CB ALA A 25 -2.916 15.616 -32.090 1.00 0.00 C ATOM 0 H ALA A 25 -0.851 16.666 -32.921 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.345 14.544 -31.112 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.700 14.938 -31.752 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -2.847 16.461 -31.405 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.155 15.978 -33.090 1.00 0.00 H new ATOM 428 N GLN A 26 -1.938 13.868 -34.304 1.00 0.00 N ATOM 429 CA GLN A 26 -2.106 12.767 -35.248 1.00 0.00 C ATOM 430 C GLN A 26 -0.839 11.932 -35.334 1.00 0.00 C ATOM 431 O GLN A 26 -0.900 10.712 -35.481 1.00 0.00 O ATOM 432 CB GLN A 26 -2.476 13.288 -36.639 1.00 0.00 C ATOM 433 CG GLN A 26 -3.822 13.994 -36.701 1.00 0.00 C ATOM 434 CD GLN A 26 -4.946 13.164 -36.112 1.00 0.00 C ATOM 435 OE1 GLN A 26 -5.275 13.291 -34.933 1.00 0.00 O ATOM 436 NE2 GLN A 26 -5.530 12.299 -36.921 1.00 0.00 N ATOM 0 H GLN A 26 -2.034 14.796 -34.716 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.919 12.140 -34.882 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.701 13.977 -36.975 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.484 12.452 -37.338 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.756 14.941 -36.165 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.056 14.231 -37.739 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.228 12.225 -37.892 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.284 11.705 -36.575 1.00 0.00 H new ATOM 445 N ARG A 27 0.304 12.600 -35.232 1.00 0.00 N ATOM 446 CA ARG A 27 1.592 11.941 -35.278 1.00 0.00 C ATOM 447 C ARG A 27 1.669 10.813 -34.258 1.00 0.00 C ATOM 448 O ARG A 27 1.934 9.667 -34.612 1.00 0.00 O ATOM 449 CB ARG A 27 2.693 12.954 -35.004 1.00 0.00 C ATOM 450 CG ARG A 27 4.070 12.453 -35.362 1.00 0.00 C ATOM 451 CD ARG A 27 5.133 13.488 -35.045 1.00 0.00 C ATOM 452 NE ARG A 27 5.247 13.725 -33.608 1.00 0.00 N ATOM 453 CZ ARG A 27 5.441 14.923 -33.062 1.00 0.00 C ATOM 454 NH1 ARG A 27 5.514 16.004 -33.828 1.00 0.00 N ATOM 455 NH2 ARG A 27 5.557 15.038 -31.746 1.00 0.00 N ATOM 0 H ARG A 27 0.358 13.612 -35.115 1.00 0.00 H new ATOM 0 HA ARG A 27 1.722 11.512 -36.272 1.00 0.00 H new ATOM 0 HB2 ARG A 27 2.488 13.864 -35.567 1.00 0.00 H new ATOM 0 HB3 ARG A 27 2.675 13.222 -33.948 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.279 11.534 -34.814 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.105 12.206 -36.423 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.094 13.154 -35.436 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.892 14.423 -35.550 1.00 0.00 H new ATOM 0 HE ARG A 27 5.173 12.922 -32.984 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.421 15.919 -34.840 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.663 16.920 -33.405 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.498 14.209 -31.154 1.00 0.00 H new ATOM 0 HH22 ARG A 27 5.706 15.955 -31.325 1.00 0.00 H new ATOM 469 N ILE A 28 1.420 11.147 -32.997 1.00 0.00 N ATOM 470 CA ILE A 28 1.488 10.164 -31.926 1.00 0.00 C ATOM 471 C ILE A 28 0.396 9.116 -32.085 1.00 0.00 C ATOM 472 O ILE A 28 0.642 7.929 -31.895 1.00 0.00 O ATOM 473 CB ILE A 28 1.359 10.818 -30.533 1.00 0.00 C ATOM 474 CG1 ILE A 28 2.470 11.851 -30.328 1.00 0.00 C ATOM 475 CG2 ILE A 28 1.410 9.754 -29.439 1.00 0.00 C ATOM 476 CD1 ILE A 28 2.386 12.582 -29.005 1.00 0.00 C ATOM 0 H ILE A 28 1.170 12.088 -32.693 1.00 0.00 H new ATOM 0 HA ILE A 28 2.467 9.690 -31.997 1.00 0.00 H new ATOM 0 HB ILE A 28 0.397 11.327 -30.474 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.436 11.351 -30.396 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.431 12.579 -31.138 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.318 10.231 -28.463 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.590 9.050 -29.578 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.359 9.221 -29.494 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.206 13.297 -28.932 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.436 13.112 -28.942 1.00 0.00 H new ATOM 0 HD13 ILE A 28 2.456 11.864 -28.188 1.00 0.00 H new ATOM 488 N LEU A 29 -0.802 9.559 -32.446 1.00 0.00 N ATOM 489 CA LEU A 29 -1.935 8.653 -32.595 1.00 0.00 C ATOM 490 C LEU A 29 -1.626 7.553 -33.602 1.00 0.00 C ATOM 491 O LEU A 29 -1.733 6.370 -33.285 1.00 0.00 O ATOM 492 CB LEU A 29 -3.189 9.417 -33.023 1.00 0.00 C ATOM 493 CG LEU A 29 -3.673 10.482 -32.037 1.00 0.00 C ATOM 494 CD1 LEU A 29 -4.926 11.153 -32.561 1.00 0.00 C ATOM 495 CD2 LEU A 29 -3.923 9.876 -30.663 1.00 0.00 C ATOM 0 H LEU A 29 -1.014 10.537 -32.641 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.120 8.192 -31.625 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.993 9.896 -33.982 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.995 8.700 -33.183 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.892 11.236 -31.935 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.259 11.908 -31.849 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.712 11.627 -33.519 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.710 10.407 -32.692 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.266 10.653 -29.980 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.684 9.099 -30.741 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.998 9.442 -30.283 1.00 0.00 H new ATOM 507 N ILE A 30 -1.219 7.947 -34.803 1.00 0.00 N ATOM 508 CA ILE A 30 -0.893 6.984 -35.849 1.00 0.00 C ATOM 509 C ILE A 30 0.326 6.153 -35.453 1.00 0.00 C ATOM 510 O ILE A 30 0.326 4.930 -35.601 1.00 0.00 O ATOM 511 CB ILE A 30 -0.659 7.677 -37.222 1.00 0.00 C ATOM 512 CG1 ILE A 30 -1.994 7.982 -37.920 1.00 0.00 C ATOM 513 CG2 ILE A 30 0.217 6.824 -38.131 1.00 0.00 C ATOM 514 CD1 ILE A 30 -2.870 8.983 -37.198 1.00 0.00 C ATOM 0 H ILE A 30 -1.107 8.923 -35.077 1.00 0.00 H new ATOM 0 HA ILE A 30 -1.750 6.320 -35.960 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.142 8.616 -37.026 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.787 8.357 -38.922 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.549 7.051 -38.036 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.361 7.336 -39.082 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.184 6.661 -37.656 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.267 5.863 -38.306 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.790 9.136 -37.763 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.113 8.604 -36.205 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.339 9.931 -37.105 1.00 0.00 H new ATOM 526 N PHE A 31 1.342 6.821 -34.912 1.00 0.00 N ATOM 527 CA PHE A 31 2.572 6.158 -34.489 1.00 0.00 C ATOM 528 C PHE A 31 2.284 5.091 -33.435 1.00 0.00 C ATOM 529 O PHE A 31 2.871 4.007 -33.451 1.00 0.00 O ATOM 530 CB PHE A 31 3.549 7.199 -33.925 1.00 0.00 C ATOM 531 CG PHE A 31 4.866 6.638 -33.469 1.00 0.00 C ATOM 532 CD1 PHE A 31 5.895 6.429 -34.371 1.00 0.00 C ATOM 533 CD2 PHE A 31 5.079 6.334 -32.132 1.00 0.00 C ATOM 534 CE1 PHE A 31 7.111 5.925 -33.951 1.00 0.00 C ATOM 535 CE2 PHE A 31 6.291 5.828 -31.707 1.00 0.00 C ATOM 536 CZ PHE A 31 7.309 5.624 -32.617 1.00 0.00 C ATOM 0 H PHE A 31 1.336 7.829 -34.756 1.00 0.00 H new ATOM 0 HA PHE A 31 3.017 5.669 -35.355 1.00 0.00 H new ATOM 0 HB2 PHE A 31 3.735 7.954 -34.689 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.074 7.706 -33.085 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.746 6.663 -35.415 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.287 6.495 -31.415 1.00 0.00 H new ATOM 0 HE1 PHE A 31 7.906 5.766 -34.665 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.443 5.592 -30.664 1.00 0.00 H new ATOM 0 HZ PHE A 31 8.259 5.230 -32.287 1.00 0.00 H new ATOM 546 N LEU A 32 1.372 5.403 -32.531 1.00 0.00 N ATOM 547 CA LEU A 32 1.069 4.522 -31.419 1.00 0.00 C ATOM 548 C LEU A 32 0.052 3.450 -31.804 1.00 0.00 C ATOM 549 O LEU A 32 0.175 2.306 -31.374 1.00 0.00 O ATOM 550 CB LEU A 32 0.564 5.334 -30.221 1.00 0.00 C ATOM 551 CG LEU A 32 0.171 4.515 -28.990 1.00 0.00 C ATOM 552 CD1 LEU A 32 1.372 3.759 -28.443 1.00 0.00 C ATOM 553 CD2 LEU A 32 -0.425 5.419 -27.921 1.00 0.00 C ATOM 0 H LEU A 32 0.826 6.265 -32.547 1.00 0.00 H new ATOM 0 HA LEU A 32 1.991 4.012 -31.141 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.340 6.043 -29.932 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.300 5.918 -30.538 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.583 3.786 -29.287 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.071 3.183 -27.568 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.756 3.084 -29.208 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.150 4.468 -28.161 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.700 4.822 -27.051 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.309 6.170 -27.629 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.312 5.914 -28.316 1.00 0.00 H new ATOM 565 N LEU A 33 -0.937 3.801 -32.624 1.00 0.00 N ATOM 566 CA LEU A 33 -1.995 2.852 -32.966 1.00 0.00 C ATOM 567 C LEU A 33 -1.424 1.654 -33.715 1.00 0.00 C ATOM 568 O LEU A 33 -1.794 0.514 -33.444 1.00 0.00 O ATOM 569 CB LEU A 33 -3.140 3.528 -33.754 1.00 0.00 C ATOM 570 CG LEU A 33 -2.869 3.927 -35.215 1.00 0.00 C ATOM 571 CD1 LEU A 33 -3.093 2.755 -36.162 1.00 0.00 C ATOM 572 CD2 LEU A 33 -3.764 5.092 -35.610 1.00 0.00 C ATOM 0 H LEU A 33 -1.028 4.720 -33.058 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.429 2.488 -32.035 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.996 2.854 -33.745 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.435 4.426 -33.211 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.824 4.228 -35.293 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.893 3.071 -37.186 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.421 1.939 -35.896 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.126 2.415 -36.082 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.566 5.368 -36.646 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.809 4.800 -35.506 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.559 5.944 -34.962 1.00 0.00 H new ATOM 584 N GLU A 34 -0.496 1.908 -34.630 1.00 0.00 N ATOM 585 CA GLU A 34 0.129 0.837 -35.389 1.00 0.00 C ATOM 586 C GLU A 34 1.037 0.003 -34.494 1.00 0.00 C ATOM 587 O GLU A 34 1.183 -1.203 -34.688 1.00 0.00 O ATOM 588 CB GLU A 34 0.925 1.394 -36.567 1.00 0.00 C ATOM 589 CG GLU A 34 1.993 2.402 -36.178 1.00 0.00 C ATOM 590 CD GLU A 34 2.959 2.690 -37.307 1.00 0.00 C ATOM 591 OE1 GLU A 34 2.504 2.875 -38.454 1.00 0.00 O ATOM 592 OE2 GLU A 34 4.183 2.733 -37.052 1.00 0.00 O ATOM 0 H GLU A 34 -0.162 2.843 -34.862 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.664 0.198 -35.779 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.398 0.566 -37.095 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.235 1.865 -37.267 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.515 3.331 -35.868 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.547 2.026 -35.318 1.00 0.00 H new ATOM 599 N PHE A 35 1.646 0.664 -33.518 1.00 0.00 N ATOM 600 CA PHE A 35 2.491 -0.006 -32.543 1.00 0.00 C ATOM 601 C PHE A 35 1.655 -0.927 -31.664 1.00 0.00 C ATOM 602 O PHE A 35 2.024 -2.072 -31.422 1.00 0.00 O ATOM 603 CB PHE A 35 3.230 1.025 -31.683 1.00 0.00 C ATOM 604 CG PHE A 35 4.026 0.419 -30.562 1.00 0.00 C ATOM 605 CD1 PHE A 35 3.599 0.537 -29.249 1.00 0.00 C ATOM 606 CD2 PHE A 35 5.197 -0.275 -30.821 1.00 0.00 C ATOM 607 CE1 PHE A 35 4.325 -0.025 -28.218 1.00 0.00 C ATOM 608 CE2 PHE A 35 5.927 -0.837 -29.794 1.00 0.00 C ATOM 609 CZ PHE A 35 5.490 -0.712 -28.491 1.00 0.00 C ATOM 0 H PHE A 35 1.568 1.672 -33.382 1.00 0.00 H new ATOM 0 HA PHE A 35 3.228 -0.608 -33.075 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.899 1.604 -32.320 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.505 1.723 -31.265 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.688 1.075 -29.030 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.542 -0.377 -31.839 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.981 0.073 -27.199 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.839 -1.374 -30.009 1.00 0.00 H new ATOM 0 HZ PHE A 35 6.060 -1.152 -27.686 1.00 0.00 H new ATOM 619 N LEU A 36 0.517 -0.420 -31.204 1.00 0.00 N ATOM 620 CA LEU A 36 -0.386 -1.191 -30.357 1.00 0.00 C ATOM 621 C LEU A 36 -0.875 -2.440 -31.078 1.00 0.00 C ATOM 622 O LEU A 36 -1.005 -3.507 -30.474 1.00 0.00 O ATOM 623 CB LEU A 36 -1.583 -0.336 -29.933 1.00 0.00 C ATOM 624 CG LEU A 36 -1.251 0.870 -29.051 1.00 0.00 C ATOM 625 CD1 LEU A 36 -2.514 1.646 -28.714 1.00 0.00 C ATOM 626 CD2 LEU A 36 -0.541 0.431 -27.776 1.00 0.00 C ATOM 0 H LEU A 36 0.196 0.527 -31.405 1.00 0.00 H new ATOM 0 HA LEU A 36 0.167 -1.496 -29.469 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.089 0.020 -30.830 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.290 -0.971 -29.399 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.579 1.523 -29.608 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.260 2.500 -28.086 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.981 1.998 -29.634 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.208 0.997 -28.180 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.315 1.305 -27.166 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.185 -0.246 -27.216 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.386 -0.081 -28.034 1.00 0.00 H new ATOM 638 N LEU A 37 -1.119 -2.309 -32.375 1.00 0.00 N ATOM 639 CA LEU A 37 -1.619 -3.417 -33.180 1.00 0.00 C ATOM 640 C LEU A 37 -0.505 -4.406 -33.520 1.00 0.00 C ATOM 641 O LEU A 37 -0.747 -5.427 -34.159 1.00 0.00 O ATOM 642 CB LEU A 37 -2.260 -2.892 -34.467 1.00 0.00 C ATOM 643 CG LEU A 37 -3.405 -1.895 -34.268 1.00 0.00 C ATOM 644 CD1 LEU A 37 -3.982 -1.466 -35.607 1.00 0.00 C ATOM 645 CD2 LEU A 37 -4.492 -2.489 -33.384 1.00 0.00 C ATOM 0 H LEU A 37 -0.978 -1.443 -32.895 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.371 -3.942 -32.591 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.487 -2.417 -35.071 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.634 -3.741 -35.039 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.003 -1.013 -33.769 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.794 -0.758 -35.443 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.203 -0.993 -36.204 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.364 -2.340 -36.135 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.295 -1.763 -33.257 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.889 -3.390 -33.851 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.072 -2.740 -32.410 1.00 0.00 H new ATOM 657 N ASP A 38 0.714 -4.099 -33.099 1.00 0.00 N ATOM 658 CA ASP A 38 1.845 -4.990 -33.328 1.00 0.00 C ATOM 659 C ASP A 38 2.337 -5.569 -32.012 1.00 0.00 C ATOM 660 O ASP A 38 2.521 -6.779 -31.874 1.00 0.00 O ATOM 661 CB ASP A 38 2.988 -4.244 -34.011 1.00 0.00 C ATOM 662 CG ASP A 38 4.127 -5.168 -34.393 1.00 0.00 C ATOM 663 OD1 ASP A 38 4.087 -5.743 -35.501 1.00 0.00 O ATOM 664 OD2 ASP A 38 5.069 -5.331 -33.588 1.00 0.00 O ATOM 0 H ASP A 38 0.946 -3.241 -32.598 1.00 0.00 H new ATOM 0 HA ASP A 38 1.511 -5.800 -33.976 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.612 -3.745 -34.904 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.361 -3.466 -33.345 1.00 0.00 H new ATOM 669 N PHE A 39 2.544 -4.682 -31.049 1.00 0.00 N ATOM 670 CA PHE A 39 3.025 -5.055 -29.724 1.00 0.00 C ATOM 671 C PHE A 39 2.047 -6.004 -29.035 1.00 0.00 C ATOM 672 O PHE A 39 2.453 -6.931 -28.335 1.00 0.00 O ATOM 673 CB PHE A 39 3.229 -3.798 -28.871 1.00 0.00 C ATOM 674 CG PHE A 39 3.865 -4.055 -27.534 1.00 0.00 C ATOM 675 CD1 PHE A 39 3.090 -4.173 -26.390 1.00 0.00 C ATOM 676 CD2 PHE A 39 5.240 -4.174 -27.420 1.00 0.00 C ATOM 677 CE1 PHE A 39 3.677 -4.403 -25.160 1.00 0.00 C ATOM 678 CE2 PHE A 39 5.832 -4.404 -26.195 1.00 0.00 C ATOM 679 CZ PHE A 39 5.050 -4.518 -25.063 1.00 0.00 C ATOM 0 H PHE A 39 2.383 -3.681 -31.164 1.00 0.00 H new ATOM 0 HA PHE A 39 3.978 -5.572 -29.837 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.849 -3.093 -29.426 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.263 -3.318 -28.715 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.016 -4.084 -26.461 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.857 -4.086 -28.302 1.00 0.00 H new ATOM 0 HE1 PHE A 39 3.063 -4.493 -24.276 1.00 0.00 H new ATOM 0 HE2 PHE A 39 6.906 -4.495 -26.122 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.511 -4.697 -24.103 1.00 0.00 H new ATOM 689 N CYS A 40 0.759 -5.771 -29.239 1.00 0.00 N ATOM 690 CA CYS A 40 -0.270 -6.613 -28.652 1.00 0.00 C ATOM 691 C CYS A 40 -1.497 -6.640 -29.555 1.00 0.00 C ATOM 692 O CYS A 40 -2.485 -5.952 -29.300 1.00 0.00 O ATOM 693 CB CYS A 40 -0.633 -6.102 -27.252 1.00 0.00 C ATOM 694 SG CYS A 40 -1.831 -7.123 -26.364 1.00 0.00 S ATOM 0 H CYS A 40 0.402 -5.004 -29.808 1.00 0.00 H new ATOM 0 HA CYS A 40 0.110 -7.630 -28.557 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.278 -6.034 -26.657 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.032 -5.092 -27.341 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.063 -6.602 -25.196 1.00 0.00 H new ATOM 700 N THR A 41 -1.421 -7.426 -30.621 1.00 0.00 N ATOM 701 CA THR A 41 -2.509 -7.522 -31.581 1.00 0.00 C ATOM 702 C THR A 41 -3.555 -8.533 -31.109 1.00 0.00 C ATOM 703 O THR A 41 -3.418 -9.133 -30.040 1.00 0.00 O ATOM 704 CB THR A 41 -1.982 -7.914 -32.984 1.00 0.00 C ATOM 705 OG1 THR A 41 -3.028 -7.834 -33.963 1.00 0.00 O ATOM 706 CG2 THR A 41 -1.398 -9.320 -32.983 1.00 0.00 C ATOM 0 H THR A 41 -0.613 -8.008 -30.842 1.00 0.00 H new ATOM 0 HA THR A 41 -2.977 -6.540 -31.654 1.00 0.00 H new ATOM 0 HB THR A 41 -1.193 -7.207 -33.242 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.673 -8.084 -34.842 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.037 -9.565 -33.982 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.570 -9.370 -32.276 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.168 -10.034 -32.691 1.00 0.00 H new ATOM 714 N GLY A 42 -4.591 -8.716 -31.907 1.00 0.00 N ATOM 715 CA GLY A 42 -5.673 -9.601 -31.540 1.00 0.00 C ATOM 716 C GLY A 42 -6.958 -8.839 -31.319 1.00 0.00 C ATOM 717 O GLY A 42 -7.138 -7.754 -31.878 1.00 0.00 O ATOM 0 H GLY A 42 -4.703 -8.262 -32.813 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.819 -10.344 -32.324 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.409 -10.143 -30.632 1.00 0.00 H new ATOM 721 N GLU A 43 -7.847 -9.385 -30.507 1.00 0.00 N ATOM 722 CA GLU A 43 -9.107 -8.733 -30.221 1.00 0.00 C ATOM 723 C GLU A 43 -8.902 -7.543 -29.292 1.00 0.00 C ATOM 724 O GLU A 43 -9.090 -6.391 -29.695 1.00 0.00 O ATOM 725 CB GLU A 43 -10.086 -9.717 -29.589 1.00 0.00 C ATOM 726 CG GLU A 43 -10.447 -10.888 -30.484 1.00 0.00 C ATOM 727 CD GLU A 43 -11.556 -11.729 -29.896 1.00 0.00 C ATOM 728 OE1 GLU A 43 -12.719 -11.557 -30.314 1.00 0.00 O ATOM 729 OE2 GLU A 43 -11.275 -12.555 -29.004 1.00 0.00 O ATOM 0 H GLU A 43 -7.716 -10.280 -30.035 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.521 -8.374 -31.163 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.655 -10.099 -28.664 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.998 -9.184 -29.319 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.754 -10.516 -31.462 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.565 -11.509 -30.641 1.00 0.00 H new ATOM 736 N ASP A 44 -8.497 -7.834 -28.056 1.00 0.00 N ATOM 737 CA ASP A 44 -8.331 -6.813 -27.022 1.00 0.00 C ATOM 738 C ASP A 44 -9.616 -6.008 -26.874 1.00 0.00 C ATOM 739 O ASP A 44 -9.635 -4.783 -27.011 1.00 0.00 O ATOM 740 CB ASP A 44 -7.148 -5.896 -27.339 1.00 0.00 C ATOM 741 CG ASP A 44 -6.877 -4.884 -26.240 1.00 0.00 C ATOM 742 OD1 ASP A 44 -6.698 -5.295 -25.075 1.00 0.00 O ATOM 743 OD2 ASP A 44 -6.830 -3.672 -26.541 1.00 0.00 O ATOM 0 H ASP A 44 -8.276 -8.780 -27.744 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.118 -7.311 -26.076 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -6.256 -6.502 -27.496 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.343 -5.368 -28.273 1.00 0.00 H new ATOM 748 N SER A 45 -10.695 -6.720 -26.627 1.00 0.00 N ATOM 749 CA SER A 45 -12.001 -6.111 -26.467 1.00 0.00 C ATOM 750 C SER A 45 -12.090 -5.356 -25.142 1.00 0.00 C ATOM 751 O SER A 45 -12.472 -5.916 -24.112 1.00 0.00 O ATOM 752 CB SER A 45 -13.077 -7.194 -26.559 1.00 0.00 C ATOM 753 OG SER A 45 -12.647 -8.385 -25.917 1.00 0.00 O ATOM 0 H SER A 45 -10.693 -7.736 -26.531 1.00 0.00 H new ATOM 0 HA SER A 45 -12.160 -5.385 -27.265 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.998 -6.838 -26.097 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.304 -7.400 -27.605 1.00 0.00 H new ATOM 0 HG SER A 45 -12.369 -8.180 -25.000 1.00 0.00 H new ATOM 759 N VAL A 46 -11.714 -4.082 -25.179 1.00 0.00 N ATOM 760 CA VAL A 46 -11.756 -3.226 -23.999 1.00 0.00 C ATOM 761 C VAL A 46 -13.201 -2.984 -23.567 1.00 0.00 C ATOM 762 O VAL A 46 -13.490 -2.779 -22.388 1.00 0.00 O ATOM 763 CB VAL A 46 -11.039 -1.878 -24.262 1.00 0.00 C ATOM 764 CG1 VAL A 46 -11.713 -1.101 -25.387 1.00 0.00 C ATOM 765 CG2 VAL A 46 -10.969 -1.041 -22.992 1.00 0.00 C ATOM 0 H VAL A 46 -11.374 -3.617 -26.021 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.230 -3.737 -23.193 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.020 -2.103 -24.577 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.186 -0.160 -25.546 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -11.687 -1.691 -26.303 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -12.749 -0.895 -25.117 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.461 -0.100 -23.204 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.978 -0.836 -22.635 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.417 -1.587 -22.227 1.00 0.00 H new ATOM 775 N ASP A 47 -14.104 -3.036 -24.529 1.00 0.00 N ATOM 776 CA ASP A 47 -15.521 -2.867 -24.266 1.00 0.00 C ATOM 777 C ASP A 47 -16.288 -4.083 -24.760 1.00 0.00 C ATOM 778 O ASP A 47 -16.011 -4.602 -25.842 1.00 0.00 O ATOM 779 CB ASP A 47 -16.043 -1.601 -24.945 1.00 0.00 C ATOM 780 CG ASP A 47 -17.514 -1.362 -24.674 1.00 0.00 C ATOM 781 OD1 ASP A 47 -17.858 -0.965 -23.541 1.00 0.00 O ATOM 782 OD2 ASP A 47 -18.330 -1.552 -25.595 1.00 0.00 O ATOM 0 H ASP A 47 -13.877 -3.196 -25.511 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.669 -2.767 -23.191 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -15.469 -0.743 -24.597 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.883 -1.677 -26.020 1.00 0.00 H new ATOM 787 N GLY A 48 -17.245 -4.539 -23.967 1.00 0.00 N ATOM 788 CA GLY A 48 -17.996 -5.728 -24.322 1.00 0.00 C ATOM 789 C GLY A 48 -19.200 -5.416 -25.186 1.00 0.00 C ATOM 790 O GLY A 48 -19.983 -6.313 -25.502 1.00 0.00 O ATOM 0 H GLY A 48 -17.516 -4.108 -23.083 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -17.343 -6.422 -24.851 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -18.326 -6.231 -23.413 1.00 0.00 H new ATOM 794 N LYS A 49 -19.335 -4.144 -25.566 1.00 0.00 N ATOM 795 CA LYS A 49 -20.460 -3.654 -26.362 1.00 0.00 C ATOM 796 C LYS A 49 -21.767 -3.752 -25.581 1.00 0.00 C ATOM 797 O LYS A 49 -22.164 -4.832 -25.136 1.00 0.00 O ATOM 798 CB LYS A 49 -20.567 -4.389 -27.705 1.00 0.00 C ATOM 799 CG LYS A 49 -19.345 -4.196 -28.592 1.00 0.00 C ATOM 800 CD LYS A 49 -19.588 -4.655 -30.025 1.00 0.00 C ATOM 801 CE LYS A 49 -19.905 -6.139 -30.104 1.00 0.00 C ATOM 802 NZ LYS A 49 -20.144 -6.583 -31.503 1.00 0.00 N ATOM 0 H LYS A 49 -18.659 -3.418 -25.327 1.00 0.00 H new ATOM 0 HA LYS A 49 -20.272 -2.602 -26.579 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -20.709 -5.454 -27.519 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -21.452 -4.037 -28.235 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -19.063 -3.143 -28.594 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.505 -4.750 -28.174 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -20.413 -4.085 -30.453 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.706 -4.441 -30.628 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -19.079 -6.709 -29.678 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -20.786 -6.354 -29.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.357 -7.601 -31.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.948 -6.057 -31.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -19.294 -6.402 -32.075 1.00 0.00 H new ATOM 816 N LYS A 50 -22.419 -2.608 -25.406 1.00 0.00 N ATOM 817 CA LYS A 50 -23.676 -2.532 -24.672 1.00 0.00 C ATOM 818 C LYS A 50 -24.684 -3.523 -25.250 1.00 0.00 C ATOM 819 O LYS A 50 -24.961 -3.515 -26.451 1.00 0.00 O ATOM 820 CB LYS A 50 -24.218 -1.094 -24.718 1.00 0.00 C ATOM 821 CG LYS A 50 -25.421 -0.838 -23.818 1.00 0.00 C ATOM 822 CD LYS A 50 -26.725 -1.259 -24.479 1.00 0.00 C ATOM 823 CE LYS A 50 -27.906 -1.116 -23.536 1.00 0.00 C ATOM 824 NZ LYS A 50 -29.187 -1.455 -24.206 1.00 0.00 N ATOM 0 H LYS A 50 -22.093 -1.712 -25.767 1.00 0.00 H new ATOM 0 HA LYS A 50 -23.504 -2.800 -23.629 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -23.418 -0.409 -24.436 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -24.493 -0.857 -25.746 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -25.296 -1.383 -22.882 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -25.467 0.222 -23.567 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -26.894 -0.652 -25.368 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -26.647 -2.295 -24.810 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -27.763 -1.766 -22.673 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -27.951 -0.094 -23.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -29.971 -1.346 -23.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -29.335 -0.818 -25.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -29.153 -2.439 -24.542 1.00 0.00 H new ATOM 838 N ARG A 51 -25.213 -4.378 -24.384 1.00 0.00 N ATOM 839 CA ARG A 51 -26.119 -5.441 -24.793 1.00 0.00 C ATOM 840 C ARG A 51 -27.402 -4.884 -25.400 1.00 0.00 C ATOM 841 O ARG A 51 -28.153 -4.163 -24.739 1.00 0.00 O ATOM 842 CB ARG A 51 -26.466 -6.335 -23.597 1.00 0.00 C ATOM 843 CG ARG A 51 -25.275 -7.054 -22.970 1.00 0.00 C ATOM 844 CD ARG A 51 -24.596 -8.004 -23.947 1.00 0.00 C ATOM 845 NE ARG A 51 -23.748 -7.301 -24.910 1.00 0.00 N ATOM 846 CZ ARG A 51 -23.715 -7.565 -26.213 1.00 0.00 C ATOM 847 NH1 ARG A 51 -24.523 -8.480 -26.732 1.00 0.00 N ATOM 848 NH2 ARG A 51 -22.882 -6.894 -26.999 1.00 0.00 N ATOM 0 H ARG A 51 -25.026 -4.354 -23.382 1.00 0.00 H new ATOM 0 HA ARG A 51 -25.608 -6.030 -25.555 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -26.948 -5.725 -22.833 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -27.195 -7.080 -23.917 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -24.552 -6.318 -22.620 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -25.609 -7.613 -22.096 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -23.992 -8.722 -23.392 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -25.355 -8.573 -24.483 1.00 0.00 H new ATOM 0 HE ARG A 51 -23.142 -6.559 -24.559 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -25.174 -8.985 -26.131 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -24.493 -8.678 -27.732 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -22.271 -6.180 -26.603 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -22.853 -7.093 -27.999 1.00 0.00 H new ATOM 862 N GLN A 52 -27.640 -5.216 -26.660 1.00 0.00 N ATOM 863 CA GLN A 52 -28.883 -4.864 -27.325 1.00 0.00 C ATOM 864 C GLN A 52 -29.970 -5.863 -26.954 1.00 0.00 C ATOM 865 O GLN A 52 -31.140 -5.648 -27.255 1.00 0.00 O ATOM 866 CB GLN A 52 -28.689 -4.831 -28.841 1.00 0.00 C ATOM 867 CG GLN A 52 -27.751 -3.732 -29.310 1.00 0.00 C ATOM 868 CD GLN A 52 -27.537 -3.736 -30.811 1.00 0.00 C ATOM 869 OE1 GLN A 52 -28.411 -4.140 -31.580 1.00 0.00 O ATOM 870 NE2 GLN A 52 -26.368 -3.284 -31.240 1.00 0.00 N ATOM 0 H GLN A 52 -26.983 -5.732 -27.245 1.00 0.00 H new ATOM 0 HA GLN A 52 -29.187 -3.870 -26.996 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -28.300 -5.794 -29.170 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -29.659 -4.698 -29.320 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -28.154 -2.765 -29.009 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -26.789 -3.846 -28.811 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -25.670 -2.958 -30.571 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -26.165 -3.262 -32.239 1.00 0.00 H new ATOM 879 N ARG A 53 -29.556 -6.946 -26.285 1.00 0.00 N ATOM 880 CA ARG A 53 -30.461 -7.954 -25.713 1.00 0.00 C ATOM 881 C ARG A 53 -31.625 -8.304 -26.642 1.00 0.00 C ATOM 882 O ARG A 53 -32.796 -8.160 -26.280 1.00 0.00 O ATOM 883 CB ARG A 53 -30.974 -7.517 -24.328 1.00 0.00 C ATOM 884 CG ARG A 53 -31.623 -6.141 -24.298 1.00 0.00 C ATOM 885 CD ARG A 53 -32.186 -5.807 -22.930 1.00 0.00 C ATOM 886 NE ARG A 53 -32.849 -4.504 -22.928 1.00 0.00 N ATOM 887 CZ ARG A 53 -33.998 -4.254 -22.304 1.00 0.00 C ATOM 888 NH1 ARG A 53 -34.593 -5.199 -21.588 1.00 0.00 N ATOM 889 NH2 ARG A 53 -34.548 -3.051 -22.389 1.00 0.00 N ATOM 0 H ARG A 53 -28.570 -7.151 -26.123 1.00 0.00 H new ATOM 0 HA ARG A 53 -29.873 -8.864 -25.594 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -31.696 -8.253 -23.974 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -30.140 -7.526 -23.627 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -30.888 -5.387 -24.581 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -32.422 -6.101 -25.038 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -32.895 -6.578 -22.629 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -31.382 -5.809 -22.194 1.00 0.00 H new ATOM 0 HE ARG A 53 -32.404 -3.740 -23.436 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -34.170 -6.124 -21.513 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -35.473 -5.000 -21.113 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -34.091 -2.318 -22.932 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -35.428 -2.858 -21.911 1.00 0.00 H new ATOM 903 N HIS A 54 -31.289 -8.766 -27.839 1.00 0.00 N ATOM 904 CA HIS A 54 -32.282 -9.237 -28.798 1.00 0.00 C ATOM 905 C HIS A 54 -31.861 -10.587 -29.356 1.00 0.00 C ATOM 906 O HIS A 54 -30.690 -10.788 -29.685 1.00 0.00 O ATOM 907 CB HIS A 54 -32.466 -8.246 -29.953 1.00 0.00 C ATOM 908 CG HIS A 54 -33.346 -7.079 -29.632 1.00 0.00 C ATOM 909 ND1 HIS A 54 -34.714 -7.177 -29.495 1.00 0.00 N ATOM 910 CD2 HIS A 54 -33.047 -5.779 -29.440 1.00 0.00 C ATOM 911 CE1 HIS A 54 -35.215 -5.986 -29.232 1.00 0.00 C ATOM 912 NE2 HIS A 54 -34.224 -5.118 -29.193 1.00 0.00 N ATOM 0 H HIS A 54 -30.327 -8.825 -28.172 1.00 0.00 H new ATOM 0 HA HIS A 54 -33.233 -9.329 -28.273 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -31.487 -7.875 -30.256 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -32.885 -8.777 -30.808 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -32.062 -5.338 -29.474 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -36.259 -5.760 -29.075 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -34.317 -4.119 -29.009 1.00 0.00 H new ATOM 921 N SER A 55 -32.808 -11.503 -29.464 1.00 0.00 N ATOM 922 CA SER A 55 -32.530 -12.834 -29.978 1.00 0.00 C ATOM 923 C SER A 55 -32.317 -12.804 -31.489 1.00 0.00 C ATOM 924 O SER A 55 -33.266 -12.907 -32.270 1.00 0.00 O ATOM 925 CB SER A 55 -33.671 -13.782 -29.607 1.00 0.00 C ATOM 926 OG SER A 55 -34.936 -13.166 -29.806 1.00 0.00 O ATOM 0 H SER A 55 -33.781 -11.348 -29.201 1.00 0.00 H new ATOM 0 HA SER A 55 -31.609 -13.198 -29.523 1.00 0.00 H new ATOM 0 HB2 SER A 55 -33.606 -14.688 -30.210 1.00 0.00 H new ATOM 0 HB3 SER A 55 -33.571 -14.085 -28.565 1.00 0.00 H new ATOM 0 HG SER A 55 -34.978 -12.790 -30.710 1.00 0.00 H new ATOM 932 N GLY A 56 -31.067 -12.638 -31.891 1.00 0.00 N ATOM 933 CA GLY A 56 -30.737 -12.596 -33.296 1.00 0.00 C ATOM 934 C GLY A 56 -29.483 -11.790 -33.551 1.00 0.00 C ATOM 935 O GLY A 56 -28.865 -11.281 -32.613 1.00 0.00 O ATOM 0 H GLY A 56 -30.271 -12.531 -31.263 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -30.599 -13.611 -33.668 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -31.568 -12.162 -33.852 1.00 0.00 H new ATOM 939 N LEU A 57 -29.107 -11.674 -34.813 1.00 0.00 N ATOM 940 CA LEU A 57 -27.921 -10.923 -35.194 1.00 0.00 C ATOM 941 C LEU A 57 -28.296 -9.885 -36.240 1.00 0.00 C ATOM 942 O LEU A 57 -28.138 -8.682 -36.031 1.00 0.00 O ATOM 943 CB LEU A 57 -26.844 -11.885 -35.729 1.00 0.00 C ATOM 944 CG LEU A 57 -25.410 -11.335 -35.829 1.00 0.00 C ATOM 945 CD1 LEU A 57 -25.263 -10.351 -36.981 1.00 0.00 C ATOM 946 CD2 LEU A 57 -25.005 -10.679 -34.521 1.00 0.00 C ATOM 0 H LEU A 57 -29.609 -12.093 -35.596 1.00 0.00 H new ATOM 0 HA LEU A 57 -27.513 -10.408 -34.324 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -26.826 -12.766 -35.087 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -27.149 -12.219 -36.720 1.00 0.00 H new ATOM 0 HG LEU A 57 -24.747 -12.177 -36.027 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -24.237 -9.985 -37.018 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -25.505 -10.850 -37.919 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -25.942 -9.512 -36.831 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -23.989 -10.295 -34.606 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -25.686 -9.857 -34.300 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -25.049 -11.413 -33.717 1.00 0.00 H new ATOM 958 N THR A 58 -28.803 -10.359 -37.363 1.00 0.00 N ATOM 959 CA THR A 58 -29.237 -9.489 -38.435 1.00 0.00 C ATOM 960 C THR A 58 -30.697 -9.088 -38.241 1.00 0.00 C ATOM 961 O THR A 58 -31.066 -7.923 -38.395 1.00 0.00 O ATOM 962 CB THR A 58 -29.064 -10.193 -39.790 1.00 0.00 C ATOM 963 OG1 THR A 58 -29.681 -11.487 -39.748 1.00 0.00 O ATOM 964 CG2 THR A 58 -27.592 -10.346 -40.139 1.00 0.00 C ATOM 0 H THR A 58 -28.924 -11.353 -37.555 1.00 0.00 H new ATOM 0 HA THR A 58 -28.622 -8.589 -38.419 1.00 0.00 H new ATOM 0 HB THR A 58 -29.542 -9.581 -40.555 1.00 0.00 H new ATOM 0 HG1 THR A 58 -29.569 -11.931 -40.615 1.00 0.00 H new ATOM 0 HG21 THR A 58 -27.497 -10.847 -41.102 1.00 0.00 H new ATOM 0 HG22 THR A 58 -27.127 -9.362 -40.194 1.00 0.00 H new ATOM 0 HG23 THR A 58 -27.096 -10.939 -39.371 1.00 0.00 H new ATOM 972 N GLU A 59 -31.513 -10.067 -37.888 1.00 0.00 N ATOM 973 CA GLU A 59 -32.926 -9.857 -37.646 1.00 0.00 C ATOM 974 C GLU A 59 -33.195 -9.899 -36.142 1.00 0.00 C ATOM 975 O GLU A 59 -33.591 -10.930 -35.592 1.00 0.00 O ATOM 976 CB GLU A 59 -33.720 -10.937 -38.380 1.00 0.00 C ATOM 977 CG GLU A 59 -35.221 -10.742 -38.342 1.00 0.00 C ATOM 978 CD GLU A 59 -35.951 -11.766 -39.183 1.00 0.00 C ATOM 979 OE1 GLU A 59 -36.328 -11.435 -40.327 1.00 0.00 O ATOM 980 OE2 GLU A 59 -36.130 -12.909 -38.713 1.00 0.00 O ATOM 0 H GLU A 59 -31.210 -11.033 -37.761 1.00 0.00 H new ATOM 0 HA GLU A 59 -33.236 -8.881 -38.020 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -33.396 -10.966 -39.420 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -33.480 -11.907 -37.944 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -35.568 -10.807 -37.311 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -35.465 -9.741 -38.698 1.00 0.00 H new ATOM 987 N GLN A 60 -32.985 -8.769 -35.483 1.00 0.00 N ATOM 988 CA GLN A 60 -33.019 -8.703 -34.028 1.00 0.00 C ATOM 989 C GLN A 60 -34.402 -8.320 -33.524 1.00 0.00 C ATOM 990 O GLN A 60 -34.548 -7.440 -32.678 1.00 0.00 O ATOM 991 CB GLN A 60 -31.987 -7.695 -33.519 1.00 0.00 C ATOM 992 CG GLN A 60 -30.567 -7.989 -33.961 1.00 0.00 C ATOM 993 CD GLN A 60 -29.567 -6.998 -33.397 1.00 0.00 C ATOM 994 OE1 GLN A 60 -29.005 -7.209 -32.321 1.00 0.00 O ATOM 995 NE2 GLN A 60 -29.343 -5.909 -34.113 1.00 0.00 N ATOM 0 H GLN A 60 -32.787 -7.877 -35.937 1.00 0.00 H new ATOM 0 HA GLN A 60 -32.777 -9.694 -33.645 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -32.265 -6.700 -33.865 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -32.021 -7.675 -32.430 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -30.293 -8.996 -33.646 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -30.517 -7.971 -35.050 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -29.829 -5.772 -34.999 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -28.684 -5.206 -33.779 1.00 0.00 H new ATOM 1004 N THR A 61 -35.411 -8.982 -34.049 1.00 0.00 N ATOM 1005 CA THR A 61 -36.779 -8.732 -33.631 1.00 0.00 C ATOM 1006 C THR A 61 -37.548 -10.041 -33.466 1.00 0.00 C ATOM 1007 O THR A 61 -37.833 -10.467 -32.346 1.00 0.00 O ATOM 1008 CB THR A 61 -37.508 -7.824 -34.638 1.00 0.00 C ATOM 1009 OG1 THR A 61 -36.725 -6.647 -34.886 1.00 0.00 O ATOM 1010 CG2 THR A 61 -38.877 -7.425 -34.113 1.00 0.00 C ATOM 0 H THR A 61 -35.312 -9.699 -34.768 1.00 0.00 H new ATOM 0 HA THR A 61 -36.739 -8.224 -32.667 1.00 0.00 H new ATOM 0 HB THR A 61 -37.641 -8.378 -35.567 1.00 0.00 H new ATOM 0 HG1 THR A 61 -37.192 -6.073 -35.528 1.00 0.00 H new ATOM 0 HG21 THR A 61 -39.373 -6.784 -34.841 1.00 0.00 H new ATOM 0 HG22 THR A 61 -39.478 -8.319 -33.948 1.00 0.00 H new ATOM 0 HG23 THR A 61 -38.763 -6.886 -33.173 1.00 0.00 H new ATOM 1018 N TYR A 62 -37.870 -10.674 -34.584 1.00 0.00 N ATOM 1019 CA TYR A 62 -38.600 -11.931 -34.579 1.00 0.00 C ATOM 1020 C TYR A 62 -38.390 -12.618 -35.916 1.00 0.00 C ATOM 1021 O TYR A 62 -38.244 -11.944 -36.934 1.00 0.00 O ATOM 1022 CB TYR A 62 -40.095 -11.675 -34.339 1.00 0.00 C ATOM 1023 CG TYR A 62 -40.898 -12.931 -34.066 1.00 0.00 C ATOM 1024 CD1 TYR A 62 -40.953 -13.473 -32.789 1.00 0.00 C ATOM 1025 CD2 TYR A 62 -41.601 -13.571 -35.080 1.00 0.00 C ATOM 1026 CE1 TYR A 62 -41.684 -14.615 -32.529 1.00 0.00 C ATOM 1027 CE2 TYR A 62 -42.337 -14.715 -34.827 1.00 0.00 C ATOM 1028 CZ TYR A 62 -42.374 -15.233 -33.550 1.00 0.00 C ATOM 1029 OH TYR A 62 -43.106 -16.370 -33.288 1.00 0.00 O ATOM 0 H TYR A 62 -37.634 -10.332 -35.516 1.00 0.00 H new ATOM 0 HA TYR A 62 -38.233 -12.570 -33.776 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -40.206 -10.994 -33.495 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -40.512 -11.172 -35.211 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -40.415 -12.993 -31.985 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -41.572 -13.169 -36.082 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -41.715 -15.023 -31.529 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -42.879 -15.199 -35.625 1.00 0.00 H new ATOM 0 HH TYR A 62 -43.533 -16.681 -34.113 1.00 0.00 H new ATOM 1039 N SER A 63 -38.346 -13.946 -35.906 1.00 0.00 N ATOM 1040 CA SER A 63 -38.130 -14.717 -37.121 1.00 0.00 C ATOM 1041 C SER A 63 -39.259 -14.479 -38.122 1.00 0.00 C ATOM 1042 O SER A 63 -40.341 -15.065 -38.016 1.00 0.00 O ATOM 1043 CB SER A 63 -38.007 -16.202 -36.777 1.00 0.00 C ATOM 1044 OG SER A 63 -39.100 -16.629 -35.980 1.00 0.00 O ATOM 0 H SER A 63 -38.458 -14.511 -35.064 1.00 0.00 H new ATOM 0 HA SER A 63 -37.201 -14.388 -37.587 1.00 0.00 H new ATOM 0 HB2 SER A 63 -37.969 -16.790 -37.694 1.00 0.00 H new ATOM 0 HB3 SER A 63 -37.072 -16.380 -36.245 1.00 0.00 H new ATOM 0 HG SER A 63 -39.940 -16.339 -36.394 1.00 0.00 H new ATOM 1050 N ALA A 64 -38.999 -13.615 -39.092 1.00 0.00 N ATOM 1051 CA ALA A 64 -40.012 -13.203 -40.045 1.00 0.00 C ATOM 1052 C ALA A 64 -39.547 -13.453 -41.470 1.00 0.00 C ATOM 1053 O ALA A 64 -39.158 -12.533 -42.189 1.00 0.00 O ATOM 1054 CB ALA A 64 -40.361 -11.737 -39.847 1.00 0.00 C ATOM 0 H ALA A 64 -38.086 -13.184 -39.238 1.00 0.00 H new ATOM 0 HA ALA A 64 -40.908 -13.799 -39.871 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -41.122 -11.443 -40.570 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -40.742 -11.587 -38.837 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -39.469 -11.128 -39.992 1.00 0.00 H new ATOM 1060 N LEU A 65 -39.562 -14.711 -41.855 1.00 0.00 N ATOM 1061 CA LEU A 65 -39.232 -15.106 -43.216 1.00 0.00 C ATOM 1062 C LEU A 65 -40.402 -14.809 -44.147 1.00 0.00 C ATOM 1063 O LEU A 65 -41.500 -15.328 -43.943 1.00 0.00 O ATOM 1064 CB LEU A 65 -38.892 -16.605 -43.282 1.00 0.00 C ATOM 1065 CG LEU A 65 -37.513 -17.024 -42.745 1.00 0.00 C ATOM 1066 CD1 LEU A 65 -36.405 -16.281 -43.472 1.00 0.00 C ATOM 1067 CD2 LEU A 65 -37.410 -16.803 -41.242 1.00 0.00 C ATOM 0 H LEU A 65 -39.801 -15.489 -41.240 1.00 0.00 H new ATOM 0 HA LEU A 65 -38.361 -14.533 -43.533 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -39.654 -17.152 -42.727 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -38.964 -16.925 -44.321 1.00 0.00 H new ATOM 0 HG LEU A 65 -37.396 -18.091 -42.933 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -35.438 -16.592 -43.077 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -36.452 -16.509 -44.537 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -36.529 -15.208 -43.325 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -36.423 -17.110 -40.896 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -37.561 -15.747 -41.018 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -38.172 -17.394 -40.734 1.00 0.00 H new ATOM 1079 N PRO A 66 -40.199 -13.949 -45.161 1.00 0.00 N ATOM 1080 CA PRO A 66 -41.213 -13.691 -46.186 1.00 0.00 C ATOM 1081 C PRO A 66 -41.505 -14.960 -46.973 1.00 0.00 C ATOM 1082 O PRO A 66 -40.726 -15.341 -47.851 1.00 0.00 O ATOM 1083 CB PRO A 66 -40.573 -12.629 -47.089 1.00 0.00 C ATOM 1084 CG PRO A 66 -39.441 -12.065 -46.300 1.00 0.00 C ATOM 1085 CD PRO A 66 -38.975 -13.167 -45.390 1.00 0.00 C ATOM 0 HA PRO A 66 -42.163 -13.362 -45.765 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -40.220 -13.068 -48.022 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -41.292 -11.854 -47.353 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -38.635 -11.735 -46.956 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -39.761 -11.195 -45.726 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -38.193 -13.769 -45.853 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -38.567 -12.775 -44.458 1.00 0.00 H new ATOM 1093 N GLU A 67 -42.618 -15.614 -46.639 1.00 0.00 N ATOM 1094 CA GLU A 67 -42.937 -16.937 -47.166 1.00 0.00 C ATOM 1095 C GLU A 67 -41.884 -17.933 -46.688 1.00 0.00 C ATOM 1096 O GLU A 67 -40.887 -18.174 -47.372 1.00 0.00 O ATOM 1097 CB GLU A 67 -43.018 -16.923 -48.697 1.00 0.00 C ATOM 1098 CG GLU A 67 -44.081 -15.981 -49.237 1.00 0.00 C ATOM 1099 CD GLU A 67 -45.490 -16.448 -48.933 1.00 0.00 C ATOM 1100 OE1 GLU A 67 -46.185 -16.882 -49.875 1.00 0.00 O ATOM 1101 OE2 GLU A 67 -45.910 -16.385 -47.759 1.00 0.00 O ATOM 0 H GLU A 67 -43.319 -15.242 -45.999 1.00 0.00 H new ATOM 0 HA GLU A 67 -43.917 -17.238 -46.795 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -42.048 -16.635 -49.102 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -43.224 -17.933 -49.052 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -43.932 -14.989 -48.810 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -43.960 -15.885 -50.316 1.00 0.00 H new ATOM 1108 N PRO A 68 -42.082 -18.496 -45.482 1.00 0.00 N ATOM 1109 CA PRO A 68 -41.103 -19.378 -44.834 1.00 0.00 C ATOM 1110 C PRO A 68 -40.849 -20.670 -45.605 1.00 0.00 C ATOM 1111 O PRO A 68 -41.504 -21.690 -45.376 1.00 0.00 O ATOM 1112 CB PRO A 68 -41.734 -19.689 -43.468 1.00 0.00 C ATOM 1113 CG PRO A 68 -42.783 -18.648 -43.274 1.00 0.00 C ATOM 1114 CD PRO A 68 -43.279 -18.309 -44.648 1.00 0.00 C ATOM 0 HA PRO A 68 -40.127 -18.897 -44.772 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -42.165 -20.690 -43.453 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -40.990 -19.650 -42.673 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -43.593 -19.021 -42.647 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -42.374 -17.768 -42.777 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -44.094 -18.964 -44.957 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -43.654 -17.287 -44.702 1.00 0.00 H new ATOM 1122 N LYS A 69 -39.892 -20.618 -46.517 1.00 0.00 N ATOM 1123 CA LYS A 69 -39.469 -21.792 -47.266 1.00 0.00 C ATOM 1124 C LYS A 69 -38.487 -22.593 -46.424 1.00 0.00 C ATOM 1125 O LYS A 69 -38.384 -23.816 -46.543 1.00 0.00 O ATOM 1126 CB LYS A 69 -38.812 -21.360 -48.579 1.00 0.00 C ATOM 1127 CG LYS A 69 -39.647 -20.364 -49.365 1.00 0.00 C ATOM 1128 CD LYS A 69 -38.877 -19.780 -50.538 1.00 0.00 C ATOM 1129 CE LYS A 69 -39.623 -18.608 -51.155 1.00 0.00 C ATOM 1130 NZ LYS A 69 -38.850 -17.965 -52.250 1.00 0.00 N ATOM 0 H LYS A 69 -39.388 -19.765 -46.759 1.00 0.00 H new ATOM 0 HA LYS A 69 -40.334 -22.413 -47.498 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -37.839 -20.919 -48.363 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -38.633 -22.241 -49.195 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -40.549 -20.855 -49.731 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -39.968 -19.559 -48.705 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -37.893 -19.453 -50.204 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -38.718 -20.551 -51.292 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -40.581 -18.953 -51.543 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -39.839 -17.870 -50.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -39.397 -17.171 -52.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -37.946 -17.612 -51.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -38.666 -18.661 -53.000 1.00 0.00 H new ATOM 1144 N ALA A 70 -37.787 -21.879 -45.555 1.00 0.00 N ATOM 1145 CA ALA A 70 -36.828 -22.460 -44.643 1.00 0.00 C ATOM 1146 C ALA A 70 -36.720 -21.573 -43.412 1.00 0.00 C ATOM 1147 O ALA A 70 -36.822 -20.349 -43.509 1.00 0.00 O ATOM 1148 CB ALA A 70 -35.474 -22.616 -45.318 1.00 0.00 C ATOM 0 H ALA A 70 -37.874 -20.867 -45.467 1.00 0.00 H new ATOM 0 HA ALA A 70 -37.163 -23.453 -44.344 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -34.766 -23.055 -44.615 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -35.573 -23.266 -46.187 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -35.111 -21.639 -45.636 1.00 0.00 H new ATOM 1154 N THR A 71 -36.541 -22.189 -42.264 1.00 0.00 N ATOM 1155 CA THR A 71 -36.475 -21.462 -41.009 1.00 0.00 C ATOM 1156 C THR A 71 -35.416 -22.075 -40.096 1.00 0.00 C ATOM 1157 O THR A 71 -34.633 -21.313 -39.489 1.00 0.00 O ATOM 1158 CB THR A 71 -37.855 -21.431 -40.305 1.00 0.00 C ATOM 1159 OG1 THR A 71 -37.766 -20.762 -39.038 1.00 0.00 O ATOM 1160 CG2 THR A 71 -38.409 -22.835 -40.104 1.00 0.00 C ATOM 1161 OXT THR A 71 -35.335 -23.320 -40.027 1.00 0.00 O ATOM 0 H THR A 71 -36.438 -23.199 -42.171 1.00 0.00 H new ATOM 0 HA THR A 71 -36.192 -20.432 -41.228 1.00 0.00 H new ATOM 0 HB THR A 71 -38.536 -20.880 -40.953 1.00 0.00 H new ATOM 0 HG1 THR A 71 -38.648 -20.752 -38.611 1.00 0.00 H new ATOM 0 HG21 THR A 71 -39.378 -22.776 -39.608 1.00 0.00 H new ATOM 0 HG22 THR A 71 -38.526 -23.322 -41.072 1.00 0.00 H new ATOM 0 HG23 THR A 71 -37.720 -23.413 -39.488 1.00 0.00 H new TER 1169 THR A 71