USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 367 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 40 SER OG : rot 23:sc= -0.395 USER MOD Set 1.2: A 46 ASN : amide:sc= -2.01! C(o=-2.4!,f=-7.5!) USER MOD Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -1.55 K(o=-1.5,f=-3.8!) USER MOD Single : A 11 GLN : amide:sc= -2.1 K(o=-2.1,f=-3!) USER MOD Single : A 12 LYS NZ :NH3+ 163:sc=-0.00541 (180deg=-0.0921) USER MOD Single : A 13 SER OG : rot 77:sc= 0.136 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 85:sc= 0.611 USER MOD Single : A 30 SER OG : rot 72:sc= 0.639 USER MOD Single : A 35 GLN : amide:sc= -0.331 K(o=-0.33,f=-2.8!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 57:sc= 0.00805 USER MOD Single : A 39 ASN : amide:sc= -5.33! C(o=-5.3!,f=-6.6!) USER MOD Single : A 44 HIS : no HD1:sc= -0.241 X(o=-0.24,f=-0.056) USER MOD Single : A 47 CYS SG : rot 180:sc= -0.69 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -18.841 15.945 6.581 1.00 0.00 N ATOM 2 CA ARG A 1 -18.504 14.605 7.030 1.00 0.00 C ATOM 3 C ARG A 1 -19.710 13.676 6.879 1.00 0.00 C ATOM 4 O ARG A 1 -20.803 13.991 7.344 1.00 0.00 O ATOM 5 CB ARG A 1 -18.052 14.610 8.491 1.00 0.00 C ATOM 6 CG ARG A 1 -17.708 13.196 8.965 1.00 0.00 C ATOM 7 CD ARG A 1 -18.920 12.525 9.615 1.00 0.00 C ATOM 8 NE ARG A 1 -18.501 11.286 10.307 1.00 0.00 N ATOM 9 CZ ARG A 1 -18.020 11.250 11.557 1.00 0.00 C ATOM 10 NH1 ARG A 1 -17.893 12.385 12.259 1.00 0.00 N ATOM 11 NH2 ARG A 1 -17.665 10.080 12.105 1.00 0.00 N ATOM 0 H1 ARG A 1 -18.013 16.566 6.689 1.00 0.00 H new ATOM 0 H2 ARG A 1 -19.123 15.915 5.580 1.00 0.00 H new ATOM 0 H3 ARG A 1 -19.628 16.315 7.152 1.00 0.00 H new ATOM 0 HA ARG A 1 -17.683 14.245 6.410 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -17.182 15.257 8.604 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -18.841 15.025 9.118 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -17.367 12.598 8.120 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -16.885 13.238 9.678 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -19.387 13.208 10.325 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -19.668 12.293 8.857 1.00 0.00 H new ATOM 0 HE ARG A 1 -18.584 10.404 9.801 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -18.163 13.276 11.842 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -17.527 12.358 13.211 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -17.761 9.217 11.571 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -17.299 10.053 13.057 1.00 0.00 H new ATOM 22 N ILE A 2 -19.470 12.548 6.226 1.00 0.00 N ATOM 23 CA ILE A 2 -20.523 11.571 6.007 1.00 0.00 C ATOM 24 C ILE A 2 -20.344 10.408 6.985 1.00 0.00 C ATOM 25 O ILE A 2 -19.401 10.396 7.775 1.00 0.00 O ATOM 26 CB ILE A 2 -20.558 11.140 4.540 1.00 0.00 C ATOM 27 CG1 ILE A 2 -19.144 10.941 3.992 1.00 0.00 C ATOM 28 CG2 ILE A 2 -21.365 12.130 3.697 1.00 0.00 C ATOM 29 CD1 ILE A 2 -18.353 9.960 4.860 1.00 0.00 C ATOM 0 H ILE A 2 -18.561 12.289 5.841 1.00 0.00 H new ATOM 0 HA ILE A 2 -21.499 12.012 6.209 1.00 0.00 H new ATOM 0 HB ILE A 2 -21.065 10.177 4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -19.196 10.567 2.969 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -18.626 11.899 3.955 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -21.374 11.800 2.658 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -22.387 12.178 4.072 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -20.909 13.118 3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -17.351 9.836 4.449 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -18.283 10.348 5.876 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -18.861 8.996 4.875 1.00 0.00 H new ATOM 40 N TYR A 3 -21.264 9.458 6.900 1.00 0.00 N ATOM 41 CA TYR A 3 -21.220 8.293 7.768 1.00 0.00 C ATOM 42 C TYR A 3 -21.099 7.005 6.950 1.00 0.00 C ATOM 43 O TYR A 3 -20.904 5.926 7.509 1.00 0.00 O ATOM 44 CB TYR A 3 -22.549 8.281 8.524 1.00 0.00 C ATOM 45 CG TYR A 3 -22.680 9.391 9.570 1.00 0.00 C ATOM 46 CD1 TYR A 3 -21.627 9.670 10.417 1.00 0.00 C ATOM 47 CD2 TYR A 3 -23.853 10.113 9.664 1.00 0.00 C ATOM 48 CE1 TYR A 3 -21.752 10.716 11.400 1.00 0.00 C ATOM 49 CE2 TYR A 3 -23.976 11.158 10.647 1.00 0.00 C ATOM 50 CZ TYR A 3 -22.920 11.409 11.466 1.00 0.00 C ATOM 51 OH TYR A 3 -23.037 12.395 12.394 1.00 0.00 O ATOM 0 H TYR A 3 -22.044 9.471 6.243 1.00 0.00 H new ATOM 0 HA TYR A 3 -20.360 8.343 8.436 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -23.364 8.374 7.807 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -22.666 7.316 9.017 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -20.710 9.105 10.343 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -24.677 9.894 9.001 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -20.936 10.945 12.070 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -24.888 11.730 10.732 1.00 0.00 H new ATOM 0 HH TYR A 3 -23.924 12.805 12.325 1.00 0.00 H new ATOM 60 N LYS A 4 -21.222 7.160 5.641 1.00 0.00 N ATOM 61 CA LYS A 4 -21.130 6.023 4.741 1.00 0.00 C ATOM 62 C LYS A 4 -21.230 6.513 3.294 1.00 0.00 C ATOM 63 O LYS A 4 -21.814 5.839 2.447 1.00 0.00 O ATOM 64 CB LYS A 4 -22.172 4.964 5.106 1.00 0.00 C ATOM 65 CG LYS A 4 -23.460 5.164 4.303 1.00 0.00 C ATOM 66 CD LYS A 4 -24.686 4.763 5.125 1.00 0.00 C ATOM 67 CE LYS A 4 -25.630 5.951 5.319 1.00 0.00 C ATOM 68 NZ LYS A 4 -26.341 5.843 6.613 1.00 0.00 N ATOM 0 H LYS A 4 -21.385 8.056 5.181 1.00 0.00 H new ATOM 0 HA LYS A 4 -20.162 5.533 4.845 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -21.769 3.970 4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -22.392 5.017 6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -23.546 6.208 4.001 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -23.420 4.570 3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -25.215 3.952 4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -24.369 4.384 6.096 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -25.064 6.882 5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -26.352 5.987 4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -26.977 6.657 6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -26.897 4.964 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -25.649 5.832 7.389 1.00 0.00 H new ATOM 78 N GLY A 5 -20.652 7.681 3.057 1.00 0.00 N ATOM 79 CA GLY A 5 -20.669 8.268 1.729 1.00 0.00 C ATOM 80 C GLY A 5 -22.104 8.462 1.234 1.00 0.00 C ATOM 81 O GLY A 5 -22.533 7.801 0.290 1.00 0.00 O ATOM 0 H GLY A 5 -20.169 8.237 3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -20.153 9.228 1.745 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -20.125 7.626 1.036 1.00 0.00 H new ATOM 85 N VAL A 6 -22.806 9.372 1.893 1.00 0.00 N ATOM 86 CA VAL A 6 -24.183 9.661 1.532 1.00 0.00 C ATOM 87 C VAL A 6 -24.238 10.120 0.072 1.00 0.00 C ATOM 88 O VAL A 6 -23.335 9.824 -0.709 1.00 0.00 O ATOM 89 CB VAL A 6 -24.775 10.684 2.503 1.00 0.00 C ATOM 90 CG1 VAL A 6 -24.390 10.356 3.947 1.00 0.00 C ATOM 91 CG2 VAL A 6 -24.348 12.105 2.131 1.00 0.00 C ATOM 0 H VAL A 6 -22.447 9.919 2.675 1.00 0.00 H new ATOM 0 HA VAL A 6 -24.796 8.763 1.614 1.00 0.00 H new ATOM 0 HB VAL A 6 -25.861 10.630 2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -24.824 11.099 4.617 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -24.767 9.367 4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -23.305 10.368 4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -24.783 12.812 2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -23.261 12.179 2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -24.695 12.338 1.124 1.00 0.00 H new ATOM 101 N ILE A 7 -25.305 10.836 -0.249 1.00 0.00 N ATOM 102 CA ILE A 7 -25.490 11.339 -1.599 1.00 0.00 C ATOM 103 C ILE A 7 -25.109 12.820 -1.643 1.00 0.00 C ATOM 104 O ILE A 7 -24.365 13.249 -2.524 1.00 0.00 O ATOM 105 CB ILE A 7 -26.910 11.054 -2.088 1.00 0.00 C ATOM 106 CG1 ILE A 7 -27.947 11.698 -1.166 1.00 0.00 C ATOM 107 CG2 ILE A 7 -27.143 9.551 -2.250 1.00 0.00 C ATOM 108 CD1 ILE A 7 -29.365 11.485 -1.702 1.00 0.00 C ATOM 0 H ILE A 7 -26.051 11.080 0.403 1.00 0.00 H new ATOM 0 HA ILE A 7 -24.830 10.819 -2.293 1.00 0.00 H new ATOM 0 HB ILE A 7 -27.029 11.506 -3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -27.864 11.272 -0.166 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -27.745 12.765 -1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -28.161 9.376 -2.599 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -26.436 9.149 -2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -26.998 9.055 -1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -30.083 11.953 -1.028 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -29.451 11.934 -2.692 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -29.572 10.417 -1.769 1.00 0.00 H new ATOM 119 N GLN A 8 -25.639 13.563 -0.682 1.00 0.00 N ATOM 120 CA GLN A 8 -25.365 14.988 -0.600 1.00 0.00 C ATOM 121 C GLN A 8 -23.857 15.235 -0.517 1.00 0.00 C ATOM 122 O GLN A 8 -23.373 16.286 -0.932 1.00 0.00 O ATOM 123 CB GLN A 8 -26.089 15.617 0.592 1.00 0.00 C ATOM 124 CG GLN A 8 -25.425 15.218 1.910 1.00 0.00 C ATOM 125 CD GLN A 8 -26.468 14.767 2.935 1.00 0.00 C ATOM 126 OE1 GLN A 8 -27.645 14.635 2.644 1.00 0.00 O ATOM 127 NE2 GLN A 8 -25.972 14.538 4.147 1.00 0.00 N ATOM 0 H GLN A 8 -26.257 13.205 0.046 1.00 0.00 H new ATOM 0 HA GLN A 8 -25.742 15.463 -1.505 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -26.085 16.702 0.493 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -27.132 15.301 0.596 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -24.712 14.413 1.733 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -24.861 16.062 2.307 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -24.976 14.668 4.323 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -26.588 14.232 4.901 1.00 0.00 H new ATOM 134 N ALA A 9 -23.156 14.246 0.020 1.00 0.00 N ATOM 135 CA ALA A 9 -21.714 14.343 0.162 1.00 0.00 C ATOM 136 C ALA A 9 -21.120 14.956 -1.109 1.00 0.00 C ATOM 137 O ALA A 9 -20.076 15.603 -1.061 1.00 0.00 O ATOM 138 CB ALA A 9 -21.137 12.959 0.466 1.00 0.00 C ATOM 0 H ALA A 9 -23.561 13.374 0.362 1.00 0.00 H new ATOM 0 HA ALA A 9 -21.454 14.996 0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -20.055 13.031 0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -21.568 12.580 1.393 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -21.376 12.278 -0.350 1.00 0.00 H new ATOM 144 N ILE A 10 -21.813 14.729 -2.216 1.00 0.00 N ATOM 145 CA ILE A 10 -21.367 15.250 -3.496 1.00 0.00 C ATOM 146 C ILE A 10 -21.016 16.732 -3.345 1.00 0.00 C ATOM 147 O ILE A 10 -20.245 17.275 -4.134 1.00 0.00 O ATOM 148 CB ILE A 10 -22.412 14.973 -4.581 1.00 0.00 C ATOM 149 CG1 ILE A 10 -22.184 13.604 -5.223 1.00 0.00 C ATOM 150 CG2 ILE A 10 -22.436 16.096 -5.618 1.00 0.00 C ATOM 151 CD1 ILE A 10 -23.269 12.611 -4.799 1.00 0.00 C ATOM 0 H ILE A 10 -22.679 14.192 -2.252 1.00 0.00 H new ATOM 0 HA ILE A 10 -20.461 14.739 -3.820 1.00 0.00 H new ATOM 0 HB ILE A 10 -23.395 14.949 -4.111 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -22.181 13.703 -6.308 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -21.204 13.222 -4.935 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -23.186 15.874 -6.377 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -22.682 17.038 -5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -21.456 16.177 -6.089 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -23.083 11.646 -5.270 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -23.253 12.495 -3.715 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -24.245 12.984 -5.110 1.00 0.00 H new ATOM 162 N GLN A 11 -21.601 17.344 -2.326 1.00 0.00 N ATOM 163 CA GLN A 11 -21.359 18.753 -2.061 1.00 0.00 C ATOM 164 C GLN A 11 -19.865 19.064 -2.163 1.00 0.00 C ATOM 165 O GLN A 11 -19.482 20.186 -2.489 1.00 0.00 O ATOM 166 CB GLN A 11 -21.911 19.155 -0.692 1.00 0.00 C ATOM 167 CG GLN A 11 -20.892 18.874 0.414 1.00 0.00 C ATOM 168 CD GLN A 11 -20.047 20.115 0.710 1.00 0.00 C ATOM 169 OE1 GLN A 11 -19.837 20.970 -0.134 1.00 0.00 O ATOM 170 NE2 GLN A 11 -19.578 20.165 1.953 1.00 0.00 N ATOM 0 H GLN A 11 -22.242 16.891 -1.674 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.884 19.340 -2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -22.166 20.215 -0.696 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -22.831 18.606 -0.492 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -21.411 18.558 1.319 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -20.243 18.051 0.115 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -19.792 19.414 2.610 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -19.004 20.954 2.250 1.00 0.00 H new ATOM 177 N LYS A 12 -19.061 18.049 -1.879 1.00 0.00 N ATOM 178 CA LYS A 12 -17.617 18.200 -1.934 1.00 0.00 C ATOM 179 C LYS A 12 -17.232 18.905 -3.237 1.00 0.00 C ATOM 180 O LYS A 12 -16.249 19.643 -3.280 1.00 0.00 O ATOM 181 CB LYS A 12 -16.929 16.847 -1.741 1.00 0.00 C ATOM 182 CG LYS A 12 -17.565 15.777 -2.631 1.00 0.00 C ATOM 183 CD LYS A 12 -17.028 15.863 -4.061 1.00 0.00 C ATOM 184 CE LYS A 12 -15.953 14.802 -4.307 1.00 0.00 C ATOM 185 NZ LYS A 12 -16.565 13.460 -4.425 1.00 0.00 N ATOM 0 H LYS A 12 -19.383 17.119 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 12 -17.268 18.829 -1.115 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.868 16.937 -1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.999 16.545 -0.696 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -17.360 14.788 -2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -18.648 15.901 -2.637 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -17.846 15.729 -4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -16.613 16.855 -4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.403 15.038 -5.218 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.233 14.809 -3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.888 12.807 -4.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -16.816 13.108 -3.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.422 13.520 -5.011 1.00 0.00 H new ATOM 195 N SER A 13 -18.028 18.653 -4.266 1.00 0.00 N ATOM 196 CA SER A 13 -17.783 19.255 -5.566 1.00 0.00 C ATOM 197 C SER A 13 -17.847 20.779 -5.458 1.00 0.00 C ATOM 198 O SER A 13 -17.103 21.485 -6.136 1.00 0.00 O ATOM 199 CB SER A 13 -18.789 18.754 -6.603 1.00 0.00 C ATOM 200 OG SER A 13 -18.726 17.339 -6.769 1.00 0.00 O ATOM 0 H SER A 13 -18.843 18.041 -4.226 1.00 0.00 H new ATOM 0 HA SER A 13 -16.786 18.962 -5.895 1.00 0.00 H new ATOM 0 HB2 SER A 13 -19.796 19.039 -6.298 1.00 0.00 H new ATOM 0 HB3 SER A 13 -18.596 19.240 -7.559 1.00 0.00 H new ATOM 0 HG SER A 13 -19.170 16.901 -6.013 1.00 0.00 H new ATOM 205 N ASP A 14 -18.744 21.242 -4.599 1.00 0.00 N ATOM 206 CA ASP A 14 -18.916 22.670 -4.393 1.00 0.00 C ATOM 207 C ASP A 14 -17.687 23.229 -3.671 1.00 0.00 C ATOM 208 O ASP A 14 -17.329 24.390 -3.855 1.00 0.00 O ATOM 209 CB ASP A 14 -20.144 22.958 -3.528 1.00 0.00 C ATOM 210 CG ASP A 14 -20.916 24.224 -3.903 1.00 0.00 C ATOM 211 OD1 ASP A 14 -21.722 24.137 -4.855 1.00 0.00 O ATOM 212 OD2 ASP A 14 -20.684 25.252 -3.229 1.00 0.00 O ATOM 0 H ASP A 14 -19.359 20.653 -4.038 1.00 0.00 H new ATOM 0 HA ASP A 14 -19.045 23.138 -5.369 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -20.821 22.106 -3.590 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -19.827 23.039 -2.488 1.00 0.00 H new ATOM 216 N GLU A 15 -17.076 22.373 -2.864 1.00 0.00 N ATOM 217 CA GLU A 15 -15.896 22.766 -2.113 1.00 0.00 C ATOM 218 C GLU A 15 -14.713 22.984 -3.059 1.00 0.00 C ATOM 219 O GLU A 15 -13.921 23.906 -2.867 1.00 0.00 O ATOM 220 CB GLU A 15 -15.557 21.729 -1.041 1.00 0.00 C ATOM 221 CG GLU A 15 -16.129 22.136 0.318 1.00 0.00 C ATOM 222 CD GLU A 15 -16.104 20.962 1.298 1.00 0.00 C ATOM 223 OE1 GLU A 15 -16.550 19.869 0.886 1.00 0.00 O ATOM 224 OE2 GLU A 15 -15.640 21.184 2.438 1.00 0.00 O ATOM 0 H GLU A 15 -17.376 21.410 -2.714 1.00 0.00 H new ATOM 0 HA GLU A 15 -16.109 23.707 -1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.957 20.757 -1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.475 21.619 -0.966 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.552 22.966 0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -17.153 22.489 0.194 1.00 0.00 H new ATOM 229 N GLY A 16 -14.630 22.119 -4.060 1.00 0.00 N ATOM 230 CA GLY A 16 -13.557 22.206 -5.036 1.00 0.00 C ATOM 231 C GLY A 16 -13.888 23.228 -6.125 1.00 0.00 C ATOM 232 O GLY A 16 -13.770 22.934 -7.314 1.00 0.00 O ATOM 0 H GLY A 16 -15.288 21.355 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.629 22.488 -4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.392 21.228 -5.488 1.00 0.00 H new ATOM 236 N HIS A 17 -14.296 24.408 -5.681 1.00 0.00 N ATOM 237 CA HIS A 17 -14.644 25.476 -6.603 1.00 0.00 C ATOM 238 C HIS A 17 -13.371 26.055 -7.222 1.00 0.00 C ATOM 239 O HIS A 17 -13.269 26.177 -8.442 1.00 0.00 O ATOM 240 CB HIS A 17 -15.501 26.535 -5.908 1.00 0.00 C ATOM 241 CG HIS A 17 -16.807 26.826 -6.609 1.00 0.00 C ATOM 242 ND1 HIS A 17 -16.932 27.796 -7.587 1.00 0.00 N ATOM 243 CD2 HIS A 17 -18.041 26.263 -6.464 1.00 0.00 C ATOM 244 CE1 HIS A 17 -18.190 27.810 -8.005 1.00 0.00 C ATOM 245 NE2 HIS A 17 -18.876 26.859 -7.306 1.00 0.00 N ATOM 0 H HIS A 17 -14.393 24.648 -4.694 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.251 25.077 -7.415 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -15.712 26.206 -4.890 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -14.928 27.459 -5.832 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -18.295 25.467 -5.780 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -18.600 28.459 -8.765 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -19.867 26.642 -7.413 1.00 0.00 H new ATOM 253 N PRO A 18 -12.407 26.406 -6.330 1.00 0.00 N ATOM 254 CA PRO A 18 -11.144 26.970 -6.775 1.00 0.00 C ATOM 255 C PRO A 18 -10.243 25.890 -7.376 1.00 0.00 C ATOM 256 O PRO A 18 -10.290 25.635 -8.579 1.00 0.00 O ATOM 257 CB PRO A 18 -10.546 27.622 -5.539 1.00 0.00 C ATOM 258 CG PRO A 18 -11.265 27.003 -4.352 1.00 0.00 C ATOM 259 CD PRO A 18 -12.493 26.276 -4.878 1.00 0.00 C ATOM 0 HA PRO A 18 -11.269 27.701 -7.574 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.473 27.441 -5.483 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -10.687 28.703 -5.561 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.608 26.311 -3.826 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.554 27.773 -3.637 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.494 25.229 -4.574 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -13.411 26.721 -4.494 1.00 0.00 H new ATOM 264 N PHE A 19 -9.443 25.283 -6.512 1.00 0.00 N ATOM 265 CA PHE A 19 -8.532 24.237 -6.942 1.00 0.00 C ATOM 266 C PHE A 19 -7.842 23.582 -5.743 1.00 0.00 C ATOM 267 O PHE A 19 -7.723 22.360 -5.681 1.00 0.00 O ATOM 268 CB PHE A 19 -7.473 24.899 -7.826 1.00 0.00 C ATOM 269 CG PHE A 19 -6.813 23.948 -8.826 1.00 0.00 C ATOM 270 CD1 PHE A 19 -7.559 23.363 -9.802 1.00 0.00 C ATOM 271 CD2 PHE A 19 -5.481 23.688 -8.740 1.00 0.00 C ATOM 272 CE1 PHE A 19 -6.946 22.480 -10.729 1.00 0.00 C ATOM 273 CE2 PHE A 19 -4.869 22.806 -9.668 1.00 0.00 C ATOM 274 CZ PHE A 19 -5.613 22.220 -10.644 1.00 0.00 C ATOM 0 H PHE A 19 -9.407 25.496 -5.515 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.082 23.463 -7.477 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.934 25.722 -8.373 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.702 25.332 -7.189 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.617 23.570 -9.871 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.889 24.153 -7.965 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.538 22.014 -11.503 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.811 22.600 -9.599 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.147 21.549 -11.350 1.00 0.00 H new ATOM 283 N ARG A 20 -7.405 24.427 -4.820 1.00 0.00 N ATOM 284 CA ARG A 20 -6.730 23.947 -3.626 1.00 0.00 C ATOM 285 C ARG A 20 -7.746 23.381 -2.633 1.00 0.00 C ATOM 286 O ARG A 20 -7.439 22.454 -1.885 1.00 0.00 O ATOM 287 CB ARG A 20 -5.938 25.069 -2.952 1.00 0.00 C ATOM 288 CG ARG A 20 -5.978 26.349 -3.790 1.00 0.00 C ATOM 289 CD ARG A 20 -7.288 27.108 -3.570 1.00 0.00 C ATOM 290 NE ARG A 20 -7.030 28.349 -2.805 1.00 0.00 N ATOM 291 CZ ARG A 20 -7.988 29.095 -2.239 1.00 0.00 C ATOM 292 NH1 ARG A 20 -9.272 28.731 -2.348 1.00 0.00 N ATOM 293 NH2 ARG A 20 -7.662 30.205 -1.564 1.00 0.00 N ATOM 0 H ARG A 20 -7.505 25.441 -4.875 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.038 23.162 -3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.350 25.265 -1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.904 24.755 -2.811 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.135 26.987 -3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.871 26.100 -4.846 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.743 27.351 -4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.997 26.479 -3.031 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.062 28.655 -2.703 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.521 27.886 -2.862 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.001 29.299 -1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.684 30.483 -1.481 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.392 30.773 -1.133 1.00 0.00 H new ATOM 304 N ALA A 21 -8.937 23.963 -2.657 1.00 0.00 N ATOM 305 CA ALA A 21 -10.001 23.529 -1.768 1.00 0.00 C ATOM 306 C ALA A 21 -10.220 22.024 -1.940 1.00 0.00 C ATOM 307 O ALA A 21 -10.609 21.337 -0.997 1.00 0.00 O ATOM 308 CB ALA A 21 -11.266 24.340 -2.051 1.00 0.00 C ATOM 0 H ALA A 21 -9.188 24.732 -3.279 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.729 23.705 -0.727 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.064 24.014 -1.384 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.064 25.398 -1.886 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.573 24.187 -3.086 1.00 0.00 H new ATOM 314 N TYR A 22 -9.964 21.556 -3.153 1.00 0.00 N ATOM 315 CA TYR A 22 -10.129 20.146 -3.461 1.00 0.00 C ATOM 316 C TYR A 22 -9.112 19.295 -2.700 1.00 0.00 C ATOM 317 O TYR A 22 -9.388 18.144 -2.362 1.00 0.00 O ATOM 318 CB TYR A 22 -9.869 20.009 -4.963 1.00 0.00 C ATOM 319 CG TYR A 22 -11.139 19.907 -5.808 1.00 0.00 C ATOM 320 CD1 TYR A 22 -12.176 19.093 -5.401 1.00 0.00 C ATOM 321 CD2 TYR A 22 -11.249 20.629 -6.980 1.00 0.00 C ATOM 322 CE1 TYR A 22 -13.372 18.997 -6.196 1.00 0.00 C ATOM 323 CE2 TYR A 22 -12.445 20.533 -7.776 1.00 0.00 C ATOM 324 CZ TYR A 22 -13.448 19.721 -7.345 1.00 0.00 C ATOM 325 OH TYR A 22 -14.578 19.631 -8.096 1.00 0.00 O ATOM 0 H TYR A 22 -9.644 22.129 -3.934 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.124 19.805 -3.176 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.289 20.868 -5.300 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -9.258 19.123 -5.136 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -12.090 18.527 -4.485 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -10.438 21.266 -7.300 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -14.191 18.364 -5.887 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -12.544 21.093 -8.694 1.00 0.00 H new ATOM 0 HH TYR A 22 -14.492 20.203 -8.887 1.00 0.00 H new ATOM 334 N LEU A 23 -7.956 19.893 -2.450 1.00 0.00 N ATOM 335 CA LEU A 23 -6.896 19.204 -1.735 1.00 0.00 C ATOM 336 C LEU A 23 -7.451 18.648 -0.421 1.00 0.00 C ATOM 337 O LEU A 23 -7.123 17.529 -0.029 1.00 0.00 O ATOM 338 CB LEU A 23 -5.688 20.125 -1.551 1.00 0.00 C ATOM 339 CG LEU A 23 -5.661 20.945 -0.259 1.00 0.00 C ATOM 340 CD1 LEU A 23 -5.557 20.034 0.967 1.00 0.00 C ATOM 341 CD2 LEU A 23 -4.540 21.987 -0.294 1.00 0.00 C ATOM 0 H LEU A 23 -7.731 20.848 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.535 18.354 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.784 19.518 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.648 20.813 -2.396 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.603 21.487 -0.179 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.540 20.642 1.872 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.416 19.364 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.641 19.446 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.543 22.556 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.580 21.484 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.698 22.664 -1.134 1.00 0.00 H new ATOM 352 N GLU A 24 -8.282 19.454 0.221 1.00 0.00 N ATOM 353 CA GLU A 24 -8.886 19.056 1.482 1.00 0.00 C ATOM 354 C GLU A 24 -9.585 17.704 1.332 1.00 0.00 C ATOM 355 O GLU A 24 -9.724 16.961 2.303 1.00 0.00 O ATOM 356 CB GLU A 24 -9.859 20.124 1.985 1.00 0.00 C ATOM 357 CG GLU A 24 -9.724 20.321 3.497 1.00 0.00 C ATOM 358 CD GLU A 24 -9.372 21.772 3.831 1.00 0.00 C ATOM 359 OE1 GLU A 24 -8.228 22.165 3.517 1.00 0.00 O ATOM 360 OE2 GLU A 24 -10.255 22.456 4.392 1.00 0.00 O ATOM 0 H GLU A 24 -8.552 20.381 -0.108 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.095 18.953 2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.666 21.067 1.473 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.881 19.833 1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.658 20.047 3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.952 19.657 3.887 1.00 0.00 H new ATOM 365 N SER A 25 -10.008 17.425 0.107 1.00 0.00 N ATOM 366 CA SER A 25 -10.689 16.175 -0.182 1.00 0.00 C ATOM 367 C SER A 25 -9.835 14.992 0.283 1.00 0.00 C ATOM 368 O SER A 25 -10.345 13.889 0.471 1.00 0.00 O ATOM 369 CB SER A 25 -10.999 16.049 -1.675 1.00 0.00 C ATOM 370 OG SER A 25 -11.857 17.092 -2.131 1.00 0.00 O ATOM 0 H SER A 25 -9.892 18.043 -0.696 1.00 0.00 H new ATOM 0 HA SER A 25 -11.634 16.168 0.361 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.068 16.071 -2.242 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.467 15.084 -1.868 1.00 0.00 H new ATOM 0 HG SER A 25 -11.321 17.881 -2.358 1.00 0.00 H new ATOM 375 N GLU A 26 -8.550 15.265 0.457 1.00 0.00 N ATOM 376 CA GLU A 26 -7.621 14.238 0.897 1.00 0.00 C ATOM 377 C GLU A 26 -8.061 13.667 2.247 1.00 0.00 C ATOM 378 O GLU A 26 -7.766 12.516 2.563 1.00 0.00 O ATOM 379 CB GLU A 26 -6.194 14.786 0.972 1.00 0.00 C ATOM 380 CG GLU A 26 -6.093 15.913 2.001 1.00 0.00 C ATOM 381 CD GLU A 26 -4.899 16.823 1.702 1.00 0.00 C ATOM 382 OE1 GLU A 26 -4.162 16.496 0.748 1.00 0.00 O ATOM 383 OE2 GLU A 26 -4.752 17.825 2.434 1.00 0.00 O ATOM 0 H GLU A 26 -8.131 16.182 0.301 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.627 13.431 0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.506 13.983 1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.890 15.155 -0.008 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.012 16.499 1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.991 15.490 3.000 1.00 0.00 H new ATOM 388 N VAL A 27 -8.759 14.499 3.006 1.00 0.00 N ATOM 389 CA VAL A 27 -9.243 14.091 4.314 1.00 0.00 C ATOM 390 C VAL A 27 -10.427 13.138 4.141 1.00 0.00 C ATOM 391 O VAL A 27 -10.537 12.144 4.857 1.00 0.00 O ATOM 392 CB VAL A 27 -9.585 15.325 5.153 1.00 0.00 C ATOM 393 CG1 VAL A 27 -8.555 16.436 4.939 1.00 0.00 C ATOM 394 CG2 VAL A 27 -11.000 15.820 4.845 1.00 0.00 C ATOM 0 H VAL A 27 -9.001 15.454 2.740 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.468 13.550 4.857 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.552 15.037 6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.821 17.301 5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.568 16.078 5.231 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.541 16.722 3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -11.219 16.697 5.454 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.072 16.083 3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -11.718 15.032 5.072 1.00 0.00 H new ATOM 404 N ALA A 28 -11.282 13.475 3.187 1.00 0.00 N ATOM 405 CA ALA A 28 -12.454 12.661 2.912 1.00 0.00 C ATOM 406 C ALA A 28 -12.012 11.238 2.564 1.00 0.00 C ATOM 407 O ALA A 28 -12.676 10.271 2.931 1.00 0.00 O ATOM 408 CB ALA A 28 -13.272 13.307 1.791 1.00 0.00 C ATOM 0 H ALA A 28 -11.187 14.300 2.595 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.095 12.601 3.792 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.151 12.697 1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.586 14.304 2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.662 13.380 0.891 1.00 0.00 H new ATOM 414 N ILE A 29 -10.892 11.156 1.862 1.00 0.00 N ATOM 415 CA ILE A 29 -10.352 9.868 1.461 1.00 0.00 C ATOM 416 C ILE A 29 -9.621 9.235 2.646 1.00 0.00 C ATOM 417 O ILE A 29 -9.630 8.015 2.807 1.00 0.00 O ATOM 418 CB ILE A 29 -9.483 10.017 0.210 1.00 0.00 C ATOM 419 CG1 ILE A 29 -8.089 10.533 0.569 1.00 0.00 C ATOM 420 CG2 ILE A 29 -10.170 10.899 -0.833 1.00 0.00 C ATOM 421 CD1 ILE A 29 -7.063 10.121 -0.489 1.00 0.00 C ATOM 0 H ILE A 29 -10.343 11.961 1.560 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.157 9.188 1.182 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.356 9.031 -0.237 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.111 11.619 0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.791 10.141 1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.531 10.988 -1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.121 10.450 -1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.348 11.888 -0.412 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.080 10.500 -0.210 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.026 9.034 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.351 10.535 -1.455 1.00 0.00 H new ATOM 432 N SER A 30 -9.005 10.093 3.447 1.00 0.00 N ATOM 433 CA SER A 30 -8.270 9.633 4.612 1.00 0.00 C ATOM 434 C SER A 30 -9.177 8.777 5.499 1.00 0.00 C ATOM 435 O SER A 30 -8.716 7.835 6.140 1.00 0.00 O ATOM 436 CB SER A 30 -7.707 10.812 5.409 1.00 0.00 C ATOM 437 OG SER A 30 -6.492 11.302 4.851 1.00 0.00 O ATOM 0 H SER A 30 -9.000 11.104 3.311 1.00 0.00 H new ATOM 0 HA SER A 30 -7.431 9.027 4.270 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.443 11.615 5.437 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.534 10.503 6.440 1.00 0.00 H new ATOM 0 HG SER A 30 -6.684 11.778 4.016 1.00 0.00 H new ATOM 442 N GLU A 31 -10.452 9.138 5.508 1.00 0.00 N ATOM 443 CA GLU A 31 -11.428 8.415 6.305 1.00 0.00 C ATOM 444 C GLU A 31 -11.660 7.019 5.725 1.00 0.00 C ATOM 445 O GLU A 31 -11.636 6.028 6.453 1.00 0.00 O ATOM 446 CB GLU A 31 -12.743 9.193 6.401 1.00 0.00 C ATOM 447 CG GLU A 31 -13.921 8.250 6.648 1.00 0.00 C ATOM 448 CD GLU A 31 -15.227 9.034 6.804 1.00 0.00 C ATOM 449 OE1 GLU A 31 -15.217 10.002 7.593 1.00 0.00 O ATOM 450 OE2 GLU A 31 -16.205 8.645 6.130 1.00 0.00 O ATOM 0 H GLU A 31 -10.831 9.921 4.976 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.032 8.306 7.315 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.680 9.922 7.209 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.907 9.752 5.480 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.010 7.549 5.818 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -13.737 7.660 7.546 1.00 0.00 H new ATOM 455 N GLU A 32 -11.876 6.984 4.418 1.00 0.00 N ATOM 456 CA GLU A 32 -12.112 5.726 3.732 1.00 0.00 C ATOM 457 C GLU A 32 -10.821 4.908 3.665 1.00 0.00 C ATOM 458 O GLU A 32 -10.848 3.686 3.801 1.00 0.00 O ATOM 459 CB GLU A 32 -12.682 5.963 2.331 1.00 0.00 C ATOM 460 CG GLU A 32 -14.212 5.918 2.348 1.00 0.00 C ATOM 461 CD GLU A 32 -14.800 6.914 1.347 1.00 0.00 C ATOM 462 OE1 GLU A 32 -14.683 8.128 1.620 1.00 0.00 O ATOM 463 OE2 GLU A 32 -15.353 6.439 0.332 1.00 0.00 O ATOM 0 H GLU A 32 -11.892 7.807 3.816 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.851 5.159 4.299 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -12.347 6.930 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.300 5.206 1.646 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.553 4.911 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.575 6.146 3.350 1.00 0.00 H new ATOM 468 N LEU A 33 -9.719 5.615 3.458 1.00 0.00 N ATOM 469 CA LEU A 33 -8.421 4.970 3.372 1.00 0.00 C ATOM 470 C LEU A 33 -8.270 3.980 4.530 1.00 0.00 C ATOM 471 O LEU A 33 -7.554 2.987 4.413 1.00 0.00 O ATOM 472 CB LEU A 33 -7.306 6.016 3.310 1.00 0.00 C ATOM 473 CG LEU A 33 -5.892 5.508 3.603 1.00 0.00 C ATOM 474 CD1 LEU A 33 -5.508 4.375 2.649 1.00 0.00 C ATOM 475 CD2 LEU A 33 -4.880 6.655 3.568 1.00 0.00 C ATOM 0 H LEU A 33 -9.699 6.629 3.347 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.342 4.397 2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.311 6.465 2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.540 6.810 4.020 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.878 5.097 4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.499 4.032 2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.208 3.548 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.543 4.737 1.621 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.883 6.267 3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.888 7.117 2.581 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.147 7.399 4.319 1.00 0.00 H new ATOM 486 N VAL A 34 -8.958 4.284 5.620 1.00 0.00 N ATOM 487 CA VAL A 34 -8.911 3.434 6.797 1.00 0.00 C ATOM 488 C VAL A 34 -9.690 2.147 6.523 1.00 0.00 C ATOM 489 O VAL A 34 -9.201 1.051 6.794 1.00 0.00 O ATOM 490 CB VAL A 34 -9.431 4.198 8.016 1.00 0.00 C ATOM 491 CG1 VAL A 34 -8.975 3.533 9.317 1.00 0.00 C ATOM 492 CG2 VAL A 34 -8.997 5.665 7.970 1.00 0.00 C ATOM 0 H VAL A 34 -9.552 5.108 5.713 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.883 3.151 7.022 1.00 0.00 H new ATOM 0 HB VAL A 34 -10.520 4.169 7.989 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.359 4.097 10.168 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.355 2.512 9.357 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.886 3.516 9.355 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.380 6.185 8.848 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.909 5.722 7.960 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.393 6.134 7.069 1.00 0.00 H new ATOM 502 N GLN A 35 -10.888 2.321 5.986 1.00 0.00 N ATOM 503 CA GLN A 35 -11.740 1.186 5.671 1.00 0.00 C ATOM 504 C GLN A 35 -11.034 0.249 4.689 1.00 0.00 C ATOM 505 O GLN A 35 -11.371 -0.931 4.600 1.00 0.00 O ATOM 506 CB GLN A 35 -13.087 1.649 5.114 1.00 0.00 C ATOM 507 CG GLN A 35 -13.010 1.863 3.600 1.00 0.00 C ATOM 508 CD GLN A 35 -13.672 0.707 2.849 1.00 0.00 C ATOM 509 OE1 GLN A 35 -14.160 -0.248 3.431 1.00 0.00 O ATOM 510 NE2 GLN A 35 -13.663 0.846 1.526 1.00 0.00 N ATOM 0 H GLN A 35 -11.290 3.231 5.761 1.00 0.00 H new ATOM 0 HA GLN A 35 -11.935 0.636 6.592 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.853 0.908 5.342 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.387 2.577 5.601 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -13.500 2.800 3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -11.968 1.951 3.294 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -13.238 1.671 1.103 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -14.082 0.128 0.935 1.00 0.00 H new ATOM 517 N LYS A 36 -10.065 0.808 3.978 1.00 0.00 N ATOM 518 CA LYS A 36 -9.308 0.037 3.007 1.00 0.00 C ATOM 519 C LYS A 36 -8.652 -1.154 3.708 1.00 0.00 C ATOM 520 O LYS A 36 -8.449 -2.203 3.099 1.00 0.00 O ATOM 521 CB LYS A 36 -8.318 0.936 2.264 1.00 0.00 C ATOM 522 CG LYS A 36 -9.046 2.059 1.523 1.00 0.00 C ATOM 523 CD LYS A 36 -10.125 1.495 0.596 1.00 0.00 C ATOM 524 CE LYS A 36 -10.196 2.289 -0.710 1.00 0.00 C ATOM 525 NZ LYS A 36 -10.301 1.374 -1.867 1.00 0.00 N ATOM 0 H LYS A 36 -9.787 1.786 4.056 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.970 -0.369 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.608 1.363 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.743 0.341 1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.500 2.740 2.243 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.330 2.640 0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.912 0.448 0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.092 1.526 1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -11.056 2.959 -0.689 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.308 2.913 -0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.348 1.929 -2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.468 0.752 -1.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.161 0.796 -1.776 1.00 0.00 H new ATOM 535 N TYR A 37 -8.337 -0.952 4.979 1.00 0.00 N ATOM 536 CA TYR A 37 -7.707 -1.995 5.770 1.00 0.00 C ATOM 537 C TYR A 37 -8.334 -3.360 5.474 1.00 0.00 C ATOM 538 O TYR A 37 -7.684 -4.392 5.632 1.00 0.00 O ATOM 539 CB TYR A 37 -7.970 -1.633 7.233 1.00 0.00 C ATOM 540 CG TYR A 37 -9.286 -2.186 7.784 1.00 0.00 C ATOM 541 CD1 TYR A 37 -10.482 -1.583 7.450 1.00 0.00 C ATOM 542 CD2 TYR A 37 -9.278 -3.287 8.616 1.00 0.00 C ATOM 543 CE1 TYR A 37 -11.720 -2.103 7.969 1.00 0.00 C ATOM 544 CE2 TYR A 37 -10.516 -3.808 9.134 1.00 0.00 C ATOM 545 CZ TYR A 37 -11.676 -3.189 8.785 1.00 0.00 C ATOM 546 OH TYR A 37 -12.846 -3.681 9.276 1.00 0.00 O ATOM 0 H TYR A 37 -8.507 -0.080 5.481 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.643 -2.061 5.541 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -7.147 -2.007 7.843 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.974 -0.548 7.333 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -10.489 -0.721 6.799 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.342 -3.758 8.879 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.663 -1.641 7.716 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.524 -4.670 9.784 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.661 -4.459 9.843 1.00 0.00 H new ATOM 555 N SER A 38 -9.588 -3.321 5.051 1.00 0.00 N ATOM 556 CA SER A 38 -10.309 -4.541 4.733 1.00 0.00 C ATOM 557 C SER A 38 -9.520 -5.362 3.711 1.00 0.00 C ATOM 558 O SER A 38 -9.528 -6.592 3.758 1.00 0.00 O ATOM 559 CB SER A 38 -11.709 -4.230 4.196 1.00 0.00 C ATOM 560 OG SER A 38 -12.703 -4.330 5.212 1.00 0.00 O ATOM 0 H SER A 38 -10.124 -2.463 4.921 1.00 0.00 H new ATOM 0 HA SER A 38 -10.421 -5.121 5.649 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.721 -3.225 3.774 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.948 -4.919 3.385 1.00 0.00 H new ATOM 0 HG SER A 38 -12.472 -3.734 5.955 1.00 0.00 H new ATOM 565 N ASN A 39 -8.858 -4.651 2.811 1.00 0.00 N ATOM 566 CA ASN A 39 -8.067 -5.299 1.779 1.00 0.00 C ATOM 567 C ASN A 39 -7.194 -6.382 2.418 1.00 0.00 C ATOM 568 O ASN A 39 -6.873 -7.383 1.778 1.00 0.00 O ATOM 569 CB ASN A 39 -7.143 -4.298 1.083 1.00 0.00 C ATOM 570 CG ASN A 39 -7.406 -4.265 -0.424 1.00 0.00 C ATOM 571 OD1 ASN A 39 -7.566 -5.285 -1.074 1.00 0.00 O ATOM 572 ND2 ASN A 39 -7.442 -3.039 -0.940 1.00 0.00 N ATOM 0 H ASN A 39 -8.853 -3.632 2.775 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.752 -5.726 1.047 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.295 -3.304 1.504 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.103 -4.568 1.269 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.612 -2.910 -1.937 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.300 -2.228 -0.338 1.00 0.00 H new ATOM 578 N SER A 40 -6.835 -6.145 3.671 1.00 0.00 N ATOM 579 CA SER A 40 -6.006 -7.088 4.403 1.00 0.00 C ATOM 580 C SER A 40 -6.669 -8.467 4.418 1.00 0.00 C ATOM 581 O SER A 40 -6.019 -9.470 4.709 1.00 0.00 O ATOM 582 CB SER A 40 -5.753 -6.605 5.832 1.00 0.00 C ATOM 583 OG SER A 40 -4.474 -7.009 6.314 1.00 0.00 O ATOM 0 H SER A 40 -7.103 -5.314 4.198 1.00 0.00 H new ATOM 0 HA SER A 40 -5.043 -7.161 3.897 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.826 -5.518 5.865 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.529 -6.997 6.490 1.00 0.00 H new ATOM 0 HG SER A 40 -3.878 -7.182 5.555 1.00 0.00 H new ATOM 588 N ALA A 41 -7.956 -8.473 4.100 1.00 0.00 N ATOM 589 CA ALA A 41 -8.715 -9.711 4.074 1.00 0.00 C ATOM 590 C ALA A 41 -8.114 -10.649 3.023 1.00 0.00 C ATOM 591 O ALA A 41 -8.085 -11.863 3.215 1.00 0.00 O ATOM 592 CB ALA A 41 -10.188 -9.402 3.804 1.00 0.00 C ATOM 0 H ALA A 41 -8.492 -7.639 3.858 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.660 -10.216 5.039 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.757 -10.331 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.575 -8.756 4.592 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.284 -8.898 2.842 1.00 0.00 H new ATOM 598 N LEU A 42 -7.651 -10.050 1.936 1.00 0.00 N ATOM 599 CA LEU A 42 -7.054 -10.816 0.855 1.00 0.00 C ATOM 600 C LEU A 42 -5.846 -11.587 1.391 1.00 0.00 C ATOM 601 O LEU A 42 -5.713 -12.786 1.149 1.00 0.00 O ATOM 602 CB LEU A 42 -6.727 -9.906 -0.330 1.00 0.00 C ATOM 603 CG LEU A 42 -6.342 -10.612 -1.631 1.00 0.00 C ATOM 604 CD1 LEU A 42 -5.250 -9.839 -2.372 1.00 0.00 C ATOM 605 CD2 LEU A 42 -5.938 -12.064 -1.368 1.00 0.00 C ATOM 0 H LEU A 42 -7.677 -9.042 1.780 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.761 -11.553 0.474 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.592 -9.273 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.908 -9.247 -0.041 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.218 -10.634 -2.280 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.995 -10.363 -3.293 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.611 -8.839 -2.611 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.365 -9.764 -1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.669 -12.543 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.083 -12.087 -0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.773 -12.598 -0.915 1.00 0.00 H new ATOM 616 N GLY A 43 -4.995 -10.868 2.108 1.00 0.00 N ATOM 617 CA GLY A 43 -3.802 -11.469 2.679 1.00 0.00 C ATOM 618 C GLY A 43 -2.546 -10.710 2.249 1.00 0.00 C ATOM 619 O GLY A 43 -1.436 -11.070 2.637 1.00 0.00 O ATOM 0 H GLY A 43 -5.108 -9.874 2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.876 -11.470 3.766 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.728 -12.510 2.363 1.00 0.00 H new ATOM 623 N HIS A 44 -2.763 -9.674 1.452 1.00 0.00 N ATOM 624 CA HIS A 44 -1.661 -8.861 0.965 1.00 0.00 C ATOM 625 C HIS A 44 -2.209 -7.702 0.129 1.00 0.00 C ATOM 626 O HIS A 44 -2.700 -7.908 -0.980 1.00 0.00 O ATOM 627 CB HIS A 44 -0.652 -9.718 0.198 1.00 0.00 C ATOM 628 CG HIS A 44 0.779 -9.256 0.341 1.00 0.00 C ATOM 629 ND1 HIS A 44 1.682 -9.275 -0.708 1.00 0.00 N ATOM 630 CD2 HIS A 44 1.453 -8.763 1.420 1.00 0.00 C ATOM 631 CE1 HIS A 44 2.844 -8.812 -0.269 1.00 0.00 C ATOM 632 NE2 HIS A 44 2.700 -8.496 1.050 1.00 0.00 N ATOM 0 H HIS A 44 -3.685 -9.379 1.131 1.00 0.00 H new ATOM 0 HA HIS A 44 -1.120 -8.432 1.809 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -0.727 -10.748 0.546 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.919 -9.718 -0.859 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.042 -8.615 2.408 1.00 0.00 H new ATOM 0 HE1 HIS A 44 3.746 -8.704 -0.853 1.00 0.00 H new ATOM 0 HE2 HIS A 44 3.430 -8.117 1.653 1.00 0.00 H new ATOM 640 N VAL A 45 -2.107 -6.508 0.695 1.00 0.00 N ATOM 641 CA VAL A 45 -2.586 -5.316 0.017 1.00 0.00 C ATOM 642 C VAL A 45 -2.765 -4.190 1.038 1.00 0.00 C ATOM 643 O VAL A 45 -2.390 -3.048 0.779 1.00 0.00 O ATOM 644 CB VAL A 45 -3.870 -5.632 -0.755 1.00 0.00 C ATOM 645 CG1 VAL A 45 -4.770 -6.578 0.043 1.00 0.00 C ATOM 646 CG2 VAL A 45 -4.616 -4.350 -1.128 1.00 0.00 C ATOM 0 H VAL A 45 -1.700 -6.341 1.615 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.856 -4.976 -0.718 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.589 -6.136 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.675 -6.787 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.239 -7.510 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.038 -6.112 0.991 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.524 -4.603 -1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.879 -3.805 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.977 -3.726 -1.754 1.00 0.00 H new ATOM 656 N ASN A 46 -3.339 -4.553 2.176 1.00 0.00 N ATOM 657 CA ASN A 46 -3.571 -3.588 3.237 1.00 0.00 C ATOM 658 C ASN A 46 -2.244 -2.931 3.624 1.00 0.00 C ATOM 659 O ASN A 46 -2.195 -1.731 3.884 1.00 0.00 O ATOM 660 CB ASN A 46 -4.143 -4.267 4.483 1.00 0.00 C ATOM 661 CG ASN A 46 -3.040 -4.955 5.289 1.00 0.00 C ATOM 662 OD1 ASN A 46 -2.609 -6.056 4.986 1.00 0.00 O ATOM 663 ND2 ASN A 46 -2.607 -4.247 6.328 1.00 0.00 N ATOM 0 H ASN A 46 -3.650 -5.501 2.386 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.282 -2.848 2.870 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.646 -3.527 5.106 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.894 -5.000 4.189 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -1.871 -4.619 6.928 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.011 -3.332 6.525 1.00 0.00 H new ATOM 669 N CYS A 47 -1.201 -3.748 3.649 1.00 0.00 N ATOM 670 CA CYS A 47 0.122 -3.262 4.000 1.00 0.00 C ATOM 671 C CYS A 47 0.486 -2.127 3.040 1.00 0.00 C ATOM 672 O CYS A 47 1.187 -1.190 3.420 1.00 0.00 O ATOM 673 CB CYS A 47 1.161 -4.385 3.977 1.00 0.00 C ATOM 674 SG CYS A 47 2.295 -4.217 5.403 1.00 0.00 S ATOM 0 H CYS A 47 -1.246 -4.744 3.432 1.00 0.00 H new ATOM 0 HA CYS A 47 0.115 -2.884 5.022 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.662 -5.354 4.010 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.727 -4.349 3.046 1.00 0.00 H new ATOM 0 HG CYS A 47 3.172 -5.176 5.376 1.00 0.00 H new ATOM 679 N THR A 48 -0.006 -2.249 1.816 1.00 0.00 N ATOM 680 CA THR A 48 0.259 -1.245 0.800 1.00 0.00 C ATOM 681 C THR A 48 -0.618 -0.013 1.026 1.00 0.00 C ATOM 682 O THR A 48 -0.194 1.112 0.764 1.00 0.00 O ATOM 683 CB THR A 48 0.055 -1.894 -0.571 1.00 0.00 C ATOM 684 OG1 THR A 48 1.375 -2.194 -1.014 1.00 0.00 O ATOM 685 CG2 THR A 48 -0.473 -0.906 -1.613 1.00 0.00 C ATOM 0 H THR A 48 -0.587 -3.028 1.505 1.00 0.00 H new ATOM 0 HA THR A 48 1.287 -0.887 0.856 1.00 0.00 H new ATOM 0 HB THR A 48 -0.640 -2.729 -0.477 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.335 -2.619 -1.896 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.600 -1.417 -2.567 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.433 -0.508 -1.284 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.237 -0.088 -1.731 1.00 0.00 H new ATOM 693 N ILE A 49 -1.826 -0.266 1.510 1.00 0.00 N ATOM 694 CA ILE A 49 -2.766 0.809 1.775 1.00 0.00 C ATOM 695 C ILE A 49 -2.362 1.530 3.062 1.00 0.00 C ATOM 696 O ILE A 49 -2.294 2.757 3.096 1.00 0.00 O ATOM 697 CB ILE A 49 -4.199 0.274 1.794 1.00 0.00 C ATOM 698 CG1 ILE A 49 -4.465 -0.627 0.586 1.00 0.00 C ATOM 699 CG2 ILE A 49 -5.211 1.418 1.889 1.00 0.00 C ATOM 700 CD1 ILE A 49 -3.839 -0.042 -0.682 1.00 0.00 C ATOM 0 H ILE A 49 -2.175 -1.200 1.725 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.736 1.547 0.974 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.322 -0.340 2.687 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.057 -1.621 0.772 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.539 -0.744 0.445 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.222 1.010 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.037 1.983 2.805 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.096 2.078 1.029 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -4.043 -0.701 -1.526 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.266 0.941 -0.878 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.762 0.051 -0.546 1.00 0.00 H new ATOM 711 N LYS A 50 -2.103 0.736 4.091 1.00 0.00 N ATOM 712 CA LYS A 50 -1.707 1.282 5.377 1.00 0.00 C ATOM 713 C LYS A 50 -0.515 2.221 5.183 1.00 0.00 C ATOM 714 O LYS A 50 -0.358 3.193 5.920 1.00 0.00 O ATOM 715 CB LYS A 50 -1.446 0.157 6.381 1.00 0.00 C ATOM 716 CG LYS A 50 -0.272 -0.716 5.932 1.00 0.00 C ATOM 717 CD LYS A 50 1.061 0.006 6.143 1.00 0.00 C ATOM 718 CE LYS A 50 2.021 -0.846 6.974 1.00 0.00 C ATOM 719 NZ LYS A 50 1.792 -0.624 8.419 1.00 0.00 N ATOM 0 H LYS A 50 -2.160 -0.282 4.059 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.516 1.876 5.803 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.234 0.582 7.362 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.341 -0.456 6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.275 -1.652 6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.387 -0.973 4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.513 0.232 5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.887 0.958 6.644 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.881 -1.900 6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 50 3.051 -0.596 6.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.452 -1.210 8.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.948 0.379 8.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.814 -0.885 8.660 1.00 0.00 H new ATOM 729 N GLU A 51 0.297 1.898 4.187 1.00 0.00 N ATOM 730 CA GLU A 51 1.470 2.700 3.886 1.00 0.00 C ATOM 731 C GLU A 51 1.057 4.129 3.526 1.00 0.00 C ATOM 732 O GLU A 51 1.783 5.080 3.814 1.00 0.00 O ATOM 733 CB GLU A 51 2.293 2.067 2.761 1.00 0.00 C ATOM 734 CG GLU A 51 1.970 2.717 1.414 1.00 0.00 C ATOM 735 CD GLU A 51 2.754 4.019 1.232 1.00 0.00 C ATOM 736 OE1 GLU A 51 3.970 3.917 0.966 1.00 0.00 O ATOM 737 OE2 GLU A 51 2.117 5.087 1.362 1.00 0.00 O ATOM 0 H GLU A 51 0.165 1.091 3.578 1.00 0.00 H new ATOM 0 HA GLU A 51 2.099 2.737 4.775 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.356 2.177 2.977 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.087 0.998 2.712 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.212 2.027 0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.901 2.920 1.351 1.00 0.00 H new ATOM 742 N LEU A 52 -0.107 4.236 2.902 1.00 0.00 N ATOM 743 CA LEU A 52 -0.624 5.533 2.500 1.00 0.00 C ATOM 744 C LEU A 52 -0.990 6.339 3.747 1.00 0.00 C ATOM 745 O LEU A 52 -0.448 7.421 3.973 1.00 0.00 O ATOM 746 CB LEU A 52 -1.782 5.365 1.514 1.00 0.00 C ATOM 747 CG LEU A 52 -1.392 5.036 0.071 1.00 0.00 C ATOM 748 CD1 LEU A 52 -0.246 5.931 -0.404 1.00 0.00 C ATOM 749 CD2 LEU A 52 -1.060 3.550 -0.081 1.00 0.00 C ATOM 0 H LEU A 52 -0.707 3.446 2.665 1.00 0.00 H new ATOM 0 HA LEU A 52 0.139 6.100 1.966 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.435 4.574 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.367 6.285 1.511 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.249 5.242 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.012 5.677 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.555 6.975 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.623 5.780 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.786 3.342 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.227 3.295 0.573 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.931 2.953 0.191 1.00 0.00 H new ATOM 760 N ARG A 53 -1.907 5.783 4.525 1.00 0.00 N ATOM 761 CA ARG A 53 -2.352 6.437 5.744 1.00 0.00 C ATOM 762 C ARG A 53 -1.205 6.516 6.753 1.00 0.00 C ATOM 763 O ARG A 53 -1.115 7.472 7.522 1.00 0.00 O ATOM 764 CB ARG A 53 -3.526 5.686 6.374 1.00 0.00 C ATOM 765 CG ARG A 53 -3.207 4.198 6.529 1.00 0.00 C ATOM 766 CD ARG A 53 -4.403 3.335 6.125 1.00 0.00 C ATOM 767 NE ARG A 53 -4.480 2.138 6.992 1.00 0.00 N ATOM 768 CZ ARG A 53 -4.857 2.164 8.277 1.00 0.00 C ATOM 769 NH1 ARG A 53 -5.194 3.326 8.853 1.00 0.00 N ATOM 770 NH2 ARG A 53 -4.897 1.029 8.987 1.00 0.00 N ATOM 0 H ARG A 53 -2.354 4.886 4.335 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.678 7.443 5.481 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.756 6.116 7.349 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.415 5.808 5.755 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.345 3.941 5.914 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.935 3.987 7.563 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.323 3.913 6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.308 3.033 5.082 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.230 1.237 6.585 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.163 4.191 8.313 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.481 3.346 9.832 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.640 0.144 8.549 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.184 1.049 9.966 1.00 0.00 H new ATOM 781 N ARG A 54 -0.356 5.500 6.717 1.00 0.00 N ATOM 782 CA ARG A 54 0.781 5.442 7.619 1.00 0.00 C ATOM 783 C ARG A 54 2.086 5.375 6.823 1.00 0.00 C ATOM 784 O ARG A 54 2.296 6.161 5.901 1.00 0.00 O ATOM 785 CB ARG A 54 0.692 4.226 8.542 1.00 0.00 C ATOM 786 CG ARG A 54 0.535 4.656 10.002 1.00 0.00 C ATOM 787 CD ARG A 54 -0.943 4.753 10.389 1.00 0.00 C ATOM 788 NE ARG A 54 -1.070 5.213 11.790 1.00 0.00 N ATOM 789 CZ ARG A 54 -0.819 4.444 12.859 1.00 0.00 C ATOM 790 NH1 ARG A 54 -0.427 3.173 12.692 1.00 0.00 N ATOM 791 NH2 ARG A 54 -0.961 4.945 14.093 1.00 0.00 N ATOM 0 H ARG A 54 -0.433 4.710 6.077 1.00 0.00 H new ATOM 0 HA ARG A 54 0.768 6.346 8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.154 3.604 8.249 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.589 3.616 8.433 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.039 3.940 10.652 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.019 5.621 10.155 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.457 5.445 9.722 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.423 3.781 10.272 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.367 6.175 11.952 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.320 2.792 11.752 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.236 2.587 13.505 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.260 5.912 14.220 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.770 4.360 14.906 1.00 0.00 H new TER 802 ARG A 54