USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 590 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 33 THR OG1 : rot -80:sc= 2.13 USER MOD Set 1.2: A 35 SER OG : rot -51:sc= 1.54 USER MOD Set 1.3: A 63 THR OG1 : rot -136:sc= 0.327 USER MOD Set 2.1: A 45 THR OG1 : rot -137:sc= 1.33 USER MOD Set 2.2: A 50 HIS :FLIP no HD1:sc= -3.92! C(o=-5.8!,f=-2.6!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HE2:sc= -6.22! C(o=-6.2!,f=-13!) USER MOD Single : A 22 SER OG : rot -33:sc= -0.341 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 165:sc= -0.105 (180deg=-0.354) USER MOD Single : A 31 LYS NZ :NH3+ -179:sc= -0.0189 (180deg=-0.0215) USER MOD Single : A 32 SER OG : rot 94:sc= 0.923 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.218) USER MOD Single : A 38 SER OG : rot -170:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= -1.14 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -165:sc= -1.79 (180deg=-2.51!) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=-0.0097) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 5 -6.867 -27.550 -17.774 1.00 0.00 N ATOM 46 CA GLN A 5 -8.025 -27.659 -16.842 1.00 0.00 C ATOM 47 C GLN A 5 -7.656 -27.031 -15.496 1.00 0.00 C ATOM 48 O GLN A 5 -6.497 -26.912 -15.152 1.00 0.00 O ATOM 49 CB GLN A 5 -8.378 -29.132 -16.638 1.00 0.00 C ATOM 50 CG GLN A 5 -7.226 -29.839 -15.922 1.00 0.00 C ATOM 51 CD GLN A 5 -7.521 -31.338 -15.837 1.00 0.00 C ATOM 52 OE1 GLN A 5 -7.975 -31.823 -14.819 1.00 0.00 O ATOM 53 NE2 GLN A 5 -7.281 -32.099 -16.869 1.00 0.00 N ATOM 0 HA GLN A 5 -8.883 -27.136 -17.264 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.293 -29.220 -16.052 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.569 -29.608 -17.600 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.292 -29.671 -16.459 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.097 -29.426 -14.922 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.900 -31.694 -17.724 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.474 -33.099 -16.821 1.00 0.00 H new ATOM 62 N LYS A 6 -8.635 -26.633 -14.730 1.00 0.00 N ATOM 63 CA LYS A 6 -8.340 -26.016 -13.406 1.00 0.00 C ATOM 64 C LYS A 6 -9.103 -26.769 -12.314 1.00 0.00 C ATOM 65 O LYS A 6 -10.051 -27.479 -12.583 1.00 0.00 O ATOM 66 CB LYS A 6 -8.780 -24.550 -13.416 1.00 0.00 C ATOM 67 CG LYS A 6 -10.304 -24.474 -13.525 1.00 0.00 C ATOM 68 CD LYS A 6 -10.730 -23.017 -13.716 1.00 0.00 C ATOM 69 CE LYS A 6 -12.237 -22.891 -13.487 1.00 0.00 C ATOM 70 NZ LYS A 6 -12.942 -22.920 -14.800 1.00 0.00 N ATOM 0 H LYS A 6 -9.625 -26.708 -14.964 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.269 -26.072 -13.209 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.445 -24.053 -12.506 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.319 -24.027 -14.253 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.650 -25.078 -14.364 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.764 -24.884 -12.626 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.191 -22.375 -13.019 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.475 -22.681 -14.721 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -12.589 -23.706 -12.855 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -12.460 -21.962 -12.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.967 -22.834 -14.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -12.613 -22.128 -15.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.739 -23.818 -15.284 1.00 0.00 H new ATOM 84 N ILE A 7 -8.696 -26.621 -11.083 1.00 0.00 N ATOM 85 CA ILE A 7 -9.397 -27.330 -9.976 1.00 0.00 C ATOM 86 C ILE A 7 -9.906 -26.311 -8.955 1.00 0.00 C ATOM 87 O ILE A 7 -9.218 -25.373 -8.604 1.00 0.00 O ATOM 88 CB ILE A 7 -8.427 -28.295 -9.293 1.00 0.00 C ATOM 89 CG1 ILE A 7 -7.886 -29.291 -10.321 1.00 0.00 C ATOM 90 CG2 ILE A 7 -9.159 -29.054 -8.184 1.00 0.00 C ATOM 91 CD1 ILE A 7 -6.843 -30.193 -9.656 1.00 0.00 C ATOM 0 H ILE A 7 -7.908 -26.040 -10.796 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.241 -27.888 -10.381 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.598 -27.732 -8.863 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.700 -29.894 -10.723 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.439 -28.758 -11.160 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.468 -29.742 -7.697 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.543 -28.345 -7.450 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.988 -29.616 -8.614 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.457 -30.903 -10.387 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.024 -29.583 -9.275 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.305 -30.736 -8.831 1.00 0.00 H new ATOM 103 N ARG A 8 -11.106 -26.489 -8.475 1.00 0.00 N ATOM 104 CA ARG A 8 -11.659 -25.532 -7.475 1.00 0.00 C ATOM 105 C ARG A 8 -11.840 -26.248 -6.135 1.00 0.00 C ATOM 106 O ARG A 8 -12.302 -27.371 -6.079 1.00 0.00 O ATOM 107 CB ARG A 8 -13.011 -25.007 -7.963 1.00 0.00 C ATOM 108 CG ARG A 8 -12.807 -24.170 -9.226 1.00 0.00 C ATOM 109 CD ARG A 8 -14.139 -23.544 -9.644 1.00 0.00 C ATOM 110 NE ARG A 8 -13.982 -22.874 -10.966 1.00 0.00 N ATOM 111 CZ ARG A 8 -15.034 -22.592 -11.684 1.00 0.00 C ATOM 112 NH1 ARG A 8 -15.659 -21.460 -11.510 1.00 0.00 N ATOM 113 NH2 ARG A 8 -15.461 -23.443 -12.577 1.00 0.00 N ATOM 0 H ARG A 8 -11.728 -27.256 -8.732 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.971 -24.696 -7.351 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.683 -25.840 -8.170 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.481 -24.404 -7.186 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -12.068 -23.390 -9.043 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.418 -24.795 -10.030 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.911 -24.312 -9.703 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.464 -22.822 -8.895 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.052 -22.636 -11.310 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -15.325 -20.795 -10.812 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -16.481 -21.240 -12.072 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.972 -24.328 -12.713 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.284 -23.223 -13.139 1.00 0.00 H new ATOM 127 N ILE A 9 -11.480 -25.609 -5.056 1.00 0.00 N ATOM 128 CA ILE A 9 -11.631 -26.258 -3.722 1.00 0.00 C ATOM 129 C ILE A 9 -12.584 -25.435 -2.855 1.00 0.00 C ATOM 130 O ILE A 9 -12.386 -24.255 -2.646 1.00 0.00 O ATOM 131 CB ILE A 9 -10.265 -26.342 -3.040 1.00 0.00 C ATOM 132 CG1 ILE A 9 -9.264 -27.019 -3.979 1.00 0.00 C ATOM 133 CG2 ILE A 9 -10.388 -27.159 -1.752 1.00 0.00 C ATOM 134 CD1 ILE A 9 -9.878 -28.303 -4.539 1.00 0.00 C ATOM 0 H ILE A 9 -11.088 -24.667 -5.040 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.037 -27.261 -3.851 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.916 -25.337 -2.802 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.000 -26.344 -4.793 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.343 -27.248 -3.443 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.415 -27.219 -1.265 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.100 -26.677 -1.082 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.737 -28.164 -1.990 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.165 -28.785 -5.208 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -10.120 -28.978 -3.718 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -10.787 -28.061 -5.090 1.00 0.00 H new ATOM 146 N LYS A 10 -13.615 -26.050 -2.344 1.00 0.00 N ATOM 147 CA LYS A 10 -14.579 -25.304 -1.486 1.00 0.00 C ATOM 148 C LYS A 10 -14.371 -25.708 -0.024 1.00 0.00 C ATOM 149 O LYS A 10 -14.284 -26.876 0.300 1.00 0.00 O ATOM 150 CB LYS A 10 -16.008 -25.640 -1.911 1.00 0.00 C ATOM 151 CG LYS A 10 -16.316 -24.954 -3.244 1.00 0.00 C ATOM 152 CD LYS A 10 -17.765 -25.242 -3.644 1.00 0.00 C ATOM 153 CE LYS A 10 -17.987 -24.818 -5.097 1.00 0.00 C ATOM 154 NZ LYS A 10 -19.149 -23.890 -5.173 1.00 0.00 N ATOM 0 H LYS A 10 -13.832 -27.037 -2.483 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.413 -24.232 -1.596 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.126 -26.719 -2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.713 -25.310 -1.148 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.159 -23.879 -3.157 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.636 -25.314 -4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.982 -26.304 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.449 -24.703 -2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.093 -24.330 -5.485 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.167 -25.695 -5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -19.299 -23.602 -6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -20.001 -24.370 -4.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.960 -23.048 -4.592 1.00 0.00 H new ATOM 168 N LEU A 11 -14.288 -24.753 0.860 1.00 0.00 N ATOM 169 CA LEU A 11 -14.082 -25.088 2.297 1.00 0.00 C ATOM 170 C LEU A 11 -15.275 -24.595 3.118 1.00 0.00 C ATOM 171 O LEU A 11 -15.787 -23.513 2.902 1.00 0.00 O ATOM 172 CB LEU A 11 -12.805 -24.410 2.800 1.00 0.00 C ATOM 173 CG LEU A 11 -11.612 -24.891 1.971 1.00 0.00 C ATOM 174 CD1 LEU A 11 -11.655 -24.237 0.588 1.00 0.00 C ATOM 175 CD2 LEU A 11 -10.311 -24.506 2.678 1.00 0.00 C ATOM 0 H LEU A 11 -14.354 -23.757 0.650 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.990 -26.169 2.405 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.901 -23.327 2.724 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.647 -24.643 3.853 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.659 -25.975 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.805 -24.579 -0.003 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.582 -24.512 0.084 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.609 -23.153 0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.461 -24.848 2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.263 -23.423 2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.280 -24.972 3.663 1.00 0.00 H new ATOM 187 N LYS A 12 -15.722 -25.378 4.061 1.00 0.00 N ATOM 188 CA LYS A 12 -16.880 -24.956 4.898 1.00 0.00 C ATOM 189 C LYS A 12 -16.519 -25.108 6.377 1.00 0.00 C ATOM 190 O LYS A 12 -16.000 -26.122 6.797 1.00 0.00 O ATOM 191 CB LYS A 12 -18.091 -25.834 4.576 1.00 0.00 C ATOM 192 CG LYS A 12 -18.394 -25.759 3.079 1.00 0.00 C ATOM 193 CD LYS A 12 -19.721 -26.462 2.791 1.00 0.00 C ATOM 194 CE LYS A 12 -20.013 -26.409 1.290 1.00 0.00 C ATOM 195 NZ LYS A 12 -21.123 -27.350 0.965 1.00 0.00 N ATOM 0 H LYS A 12 -15.334 -26.294 4.288 1.00 0.00 H new ATOM 0 HA LYS A 12 -17.121 -23.914 4.686 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.893 -26.866 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.956 -25.502 5.150 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.445 -24.718 2.759 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.591 -26.228 2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -19.676 -27.498 3.127 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.527 -25.982 3.346 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -20.285 -25.395 0.997 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -19.119 -26.675 0.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.321 -27.314 -0.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.847 -28.317 1.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -21.976 -27.076 1.493 1.00 0.00 H new ATOM 209 N ALA A 13 -16.789 -24.107 7.170 1.00 0.00 N ATOM 210 CA ALA A 13 -16.459 -24.197 8.621 1.00 0.00 C ATOM 211 C ALA A 13 -17.335 -23.218 9.405 1.00 0.00 C ATOM 212 O ALA A 13 -17.600 -22.117 8.966 1.00 0.00 O ATOM 213 CB ALA A 13 -14.985 -23.844 8.831 1.00 0.00 C ATOM 0 H ALA A 13 -17.223 -23.232 6.876 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.644 -25.212 8.974 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.743 -23.909 9.892 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.361 -24.541 8.272 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.800 -22.829 8.479 1.00 0.00 H new ATOM 219 N TYR A 14 -17.785 -23.611 10.566 1.00 0.00 N ATOM 220 CA TYR A 14 -18.642 -22.703 11.378 1.00 0.00 C ATOM 221 C TYR A 14 -17.825 -21.482 11.808 1.00 0.00 C ATOM 222 O TYR A 14 -18.332 -20.381 11.887 1.00 0.00 O ATOM 223 CB TYR A 14 -19.139 -23.446 12.621 1.00 0.00 C ATOM 224 CG TYR A 14 -20.032 -24.588 12.200 1.00 0.00 C ATOM 225 CD1 TYR A 14 -21.384 -24.355 11.923 1.00 0.00 C ATOM 226 CD2 TYR A 14 -19.508 -25.882 12.086 1.00 0.00 C ATOM 227 CE1 TYR A 14 -22.213 -25.414 11.535 1.00 0.00 C ATOM 228 CE2 TYR A 14 -20.337 -26.940 11.696 1.00 0.00 C ATOM 229 CZ TYR A 14 -21.689 -26.707 11.420 1.00 0.00 C ATOM 230 OH TYR A 14 -22.506 -27.751 11.036 1.00 0.00 O ATOM 0 H TYR A 14 -17.596 -24.521 10.986 1.00 0.00 H new ATOM 0 HA TYR A 14 -19.496 -22.380 10.782 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -18.293 -23.824 13.195 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.686 -22.763 13.272 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.788 -23.357 12.009 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -18.465 -26.063 12.299 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -23.257 -25.234 11.324 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -19.933 -27.938 11.608 1.00 0.00 H new ATOM 0 HH TYR A 14 -21.984 -28.580 11.005 1.00 0.00 H new ATOM 240 N ASP A 15 -16.563 -21.669 12.085 1.00 0.00 N ATOM 241 CA ASP A 15 -15.716 -20.519 12.507 1.00 0.00 C ATOM 242 C ASP A 15 -15.012 -19.926 11.284 1.00 0.00 C ATOM 243 O ASP A 15 -14.212 -20.576 10.640 1.00 0.00 O ATOM 244 CB ASP A 15 -14.668 -20.999 13.513 1.00 0.00 C ATOM 245 CG ASP A 15 -15.363 -21.422 14.809 1.00 0.00 C ATOM 246 OD1 ASP A 15 -16.537 -21.122 14.954 1.00 0.00 O ATOM 247 OD2 ASP A 15 -14.710 -22.040 15.634 1.00 0.00 O ATOM 0 H ASP A 15 -16.083 -22.568 12.037 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.344 -19.758 12.970 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.107 -21.836 13.098 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -13.951 -20.203 13.715 1.00 0.00 H new ATOM 252 N HIS A 16 -15.306 -18.698 10.956 1.00 0.00 N ATOM 253 CA HIS A 16 -14.655 -18.066 9.774 1.00 0.00 C ATOM 254 C HIS A 16 -13.147 -17.973 10.009 1.00 0.00 C ATOM 255 O HIS A 16 -12.357 -18.113 9.096 1.00 0.00 O ATOM 256 CB HIS A 16 -15.227 -16.664 9.567 1.00 0.00 C ATOM 257 CG HIS A 16 -14.507 -15.992 8.429 1.00 0.00 C ATOM 258 ND1 HIS A 16 -13.396 -15.188 8.629 1.00 0.00 N ATOM 259 CD2 HIS A 16 -14.728 -15.997 7.074 1.00 0.00 C ATOM 260 CE1 HIS A 16 -12.994 -14.746 7.423 1.00 0.00 C ATOM 261 NE2 HIS A 16 -13.772 -15.209 6.441 1.00 0.00 N ATOM 0 H HIS A 16 -15.969 -18.105 11.455 1.00 0.00 H new ATOM 0 HA HIS A 16 -14.846 -18.671 8.888 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -16.294 -16.723 9.352 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -15.117 -16.076 10.479 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -12.962 -14.971 9.526 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -15.523 -16.531 6.575 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.146 -14.096 7.268 1.00 0.00 H new ATOM 269 N GLU A 17 -12.739 -17.737 11.226 1.00 0.00 N ATOM 270 CA GLU A 17 -11.281 -17.634 11.517 1.00 0.00 C ATOM 271 C GLU A 17 -10.590 -18.942 11.125 1.00 0.00 C ATOM 272 O GLU A 17 -9.525 -18.941 10.540 1.00 0.00 O ATOM 273 CB GLU A 17 -11.074 -17.376 13.011 1.00 0.00 C ATOM 274 CG GLU A 17 -11.706 -16.036 13.390 1.00 0.00 C ATOM 275 CD GLU A 17 -11.000 -14.908 12.632 1.00 0.00 C ATOM 276 OE1 GLU A 17 -9.924 -15.153 12.112 1.00 0.00 O ATOM 277 OE2 GLU A 17 -11.547 -13.819 12.587 1.00 0.00 O ATOM 0 H GLU A 17 -13.352 -17.611 12.031 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.854 -16.810 10.945 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.522 -18.180 13.595 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.010 -17.367 13.245 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.769 -16.042 13.149 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.624 -15.874 14.465 1.00 0.00 H new ATOM 284 N LEU A 18 -11.187 -20.058 11.441 1.00 0.00 N ATOM 285 CA LEU A 18 -10.564 -21.364 11.086 1.00 0.00 C ATOM 286 C LEU A 18 -10.560 -21.531 9.565 1.00 0.00 C ATOM 287 O LEU A 18 -9.631 -22.064 8.992 1.00 0.00 O ATOM 288 CB LEU A 18 -11.365 -22.500 11.720 1.00 0.00 C ATOM 289 CG LEU A 18 -11.416 -22.306 13.238 1.00 0.00 C ATOM 290 CD1 LEU A 18 -12.153 -23.483 13.878 1.00 0.00 C ATOM 291 CD2 LEU A 18 -9.991 -22.235 13.790 1.00 0.00 C ATOM 0 H LEU A 18 -12.080 -20.122 11.930 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.540 -21.390 11.457 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.375 -22.519 11.311 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.907 -23.460 11.481 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.942 -21.380 13.469 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.189 -23.345 14.959 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.168 -23.534 13.484 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.627 -24.410 13.648 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.026 -22.097 14.871 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.465 -23.161 13.559 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.465 -21.396 13.334 1.00 0.00 H new ATOM 303 N LEU A 19 -11.594 -21.081 8.908 1.00 0.00 N ATOM 304 CA LEU A 19 -11.651 -21.215 7.425 1.00 0.00 C ATOM 305 C LEU A 19 -10.636 -20.265 6.785 1.00 0.00 C ATOM 306 O LEU A 19 -10.009 -20.587 5.795 1.00 0.00 O ATOM 307 CB LEU A 19 -13.057 -20.863 6.937 1.00 0.00 C ATOM 308 CG LEU A 19 -13.068 -20.798 5.407 1.00 0.00 C ATOM 309 CD1 LEU A 19 -12.369 -22.035 4.837 1.00 0.00 C ATOM 310 CD2 LEU A 19 -14.515 -20.756 4.911 1.00 0.00 C ATOM 0 H LEU A 19 -12.402 -20.626 9.334 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.413 -22.241 7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.771 -21.610 7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.369 -19.905 7.354 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.543 -19.901 5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.377 -21.988 3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.339 -22.066 5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.893 -22.933 5.165 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.525 -20.710 3.822 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.039 -21.653 5.241 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -15.013 -19.875 5.316 1.00 0.00 H new ATOM 322 N ASP A 20 -10.469 -19.097 7.342 1.00 0.00 N ATOM 323 CA ASP A 20 -9.495 -18.128 6.764 1.00 0.00 C ATOM 324 C ASP A 20 -8.084 -18.717 6.835 1.00 0.00 C ATOM 325 O ASP A 20 -7.296 -18.575 5.921 1.00 0.00 O ATOM 326 CB ASP A 20 -9.543 -16.823 7.558 1.00 0.00 C ATOM 327 CG ASP A 20 -8.661 -15.776 6.873 1.00 0.00 C ATOM 328 OD1 ASP A 20 -8.184 -16.053 5.785 1.00 0.00 O ATOM 329 OD2 ASP A 20 -8.480 -14.716 7.447 1.00 0.00 O ATOM 0 H ASP A 20 -10.965 -18.772 8.172 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.754 -17.931 5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.570 -16.462 7.624 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.199 -16.993 8.578 1.00 0.00 H new ATOM 334 N GLU A 21 -7.759 -19.376 7.913 1.00 0.00 N ATOM 335 CA GLU A 21 -6.399 -19.971 8.041 1.00 0.00 C ATOM 336 C GLU A 21 -6.260 -21.147 7.072 1.00 0.00 C ATOM 337 O GLU A 21 -5.261 -21.293 6.396 1.00 0.00 O ATOM 338 CB GLU A 21 -6.192 -20.466 9.474 1.00 0.00 C ATOM 339 CG GLU A 21 -6.162 -19.270 10.428 1.00 0.00 C ATOM 340 CD GLU A 21 -4.972 -18.372 10.083 1.00 0.00 C ATOM 341 OE1 GLU A 21 -4.084 -18.838 9.388 1.00 0.00 O ATOM 342 OE2 GLU A 21 -4.969 -17.233 10.520 1.00 0.00 O ATOM 0 H GLU A 21 -8.376 -19.528 8.711 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.650 -19.215 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.995 -21.148 9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.259 -21.025 9.546 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.091 -18.706 10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.084 -19.615 11.459 1.00 0.00 H new ATOM 349 N SER A 22 -7.256 -21.988 6.999 1.00 0.00 N ATOM 350 CA SER A 22 -7.180 -23.155 6.074 1.00 0.00 C ATOM 351 C SER A 22 -7.035 -22.659 4.634 1.00 0.00 C ATOM 352 O SER A 22 -6.345 -23.251 3.830 1.00 0.00 O ATOM 353 CB SER A 22 -8.457 -23.987 6.200 1.00 0.00 C ATOM 354 OG SER A 22 -9.570 -23.215 5.772 1.00 0.00 O ATOM 0 H SER A 22 -8.118 -21.918 7.539 1.00 0.00 H new ATOM 0 HA SER A 22 -6.317 -23.769 6.334 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.375 -24.892 5.597 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.597 -24.304 7.234 1.00 0.00 H new ATOM 0 HG SER A 22 -9.417 -22.272 5.989 1.00 0.00 H new ATOM 360 N ALA A 23 -7.683 -21.575 4.302 1.00 0.00 N ATOM 361 CA ALA A 23 -7.584 -21.044 2.914 1.00 0.00 C ATOM 362 C ALA A 23 -6.212 -20.398 2.708 1.00 0.00 C ATOM 363 O ALA A 23 -5.514 -20.690 1.756 1.00 0.00 O ATOM 364 CB ALA A 23 -8.677 -19.996 2.693 1.00 0.00 C ATOM 0 H ALA A 23 -8.276 -21.035 4.932 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.710 -21.861 2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.607 -19.606 1.678 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.655 -20.454 2.839 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.549 -19.181 3.405 1.00 0.00 H new ATOM 370 N LYS A 24 -5.821 -19.520 3.590 1.00 0.00 N ATOM 371 CA LYS A 24 -4.497 -18.853 3.443 1.00 0.00 C ATOM 372 C LYS A 24 -3.379 -19.888 3.587 1.00 0.00 C ATOM 373 O LYS A 24 -2.446 -19.919 2.810 1.00 0.00 O ATOM 374 CB LYS A 24 -4.344 -17.785 4.528 1.00 0.00 C ATOM 375 CG LYS A 24 -5.128 -16.533 4.126 1.00 0.00 C ATOM 376 CD LYS A 24 -4.987 -15.471 5.218 1.00 0.00 C ATOM 377 CE LYS A 24 -6.086 -14.420 5.053 1.00 0.00 C ATOM 378 NZ LYS A 24 -5.469 -13.102 4.734 1.00 0.00 N ATOM 0 H LYS A 24 -6.362 -19.236 4.407 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.434 -18.388 2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.710 -18.165 5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.291 -17.539 4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.755 -16.146 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.179 -16.781 3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.057 -15.935 6.202 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.006 -15.000 5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.770 -14.715 4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.674 -14.346 5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.216 -12.387 4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.833 -12.820 5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.926 -13.178 3.850 1.00 0.00 H new ATOM 392 N LYS A 25 -3.463 -20.734 4.578 1.00 0.00 N ATOM 393 CA LYS A 25 -2.402 -21.762 4.772 1.00 0.00 C ATOM 394 C LYS A 25 -2.316 -22.654 3.531 1.00 0.00 C ATOM 395 O LYS A 25 -1.247 -22.916 3.016 1.00 0.00 O ATOM 396 CB LYS A 25 -2.741 -22.619 5.993 1.00 0.00 C ATOM 397 CG LYS A 25 -2.560 -21.789 7.265 1.00 0.00 C ATOM 398 CD LYS A 25 -2.626 -22.707 8.487 1.00 0.00 C ATOM 399 CE LYS A 25 -4.029 -23.306 8.600 1.00 0.00 C ATOM 400 NZ LYS A 25 -4.395 -23.450 10.037 1.00 0.00 N ATOM 0 H LYS A 25 -4.220 -20.757 5.261 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.443 -21.267 4.928 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.767 -22.979 5.924 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.096 -23.497 6.024 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.603 -21.269 7.239 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.336 -21.026 7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.886 -23.502 8.398 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.385 -22.146 9.390 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.751 -22.666 8.093 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -4.062 -24.277 8.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.419 -23.611 10.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.883 -24.257 10.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.139 -22.582 10.549 1.00 0.00 H new ATOM 414 N ILE A 26 -3.433 -23.125 3.048 1.00 0.00 N ATOM 415 CA ILE A 26 -3.412 -24.002 1.842 1.00 0.00 C ATOM 416 C ILE A 26 -2.985 -23.187 0.619 1.00 0.00 C ATOM 417 O ILE A 26 -2.244 -23.655 -0.222 1.00 0.00 O ATOM 418 CB ILE A 26 -4.810 -24.577 1.607 1.00 0.00 C ATOM 419 CG1 ILE A 26 -5.210 -25.454 2.796 1.00 0.00 C ATOM 420 CG2 ILE A 26 -4.806 -25.421 0.331 1.00 0.00 C ATOM 421 CD1 ILE A 26 -6.691 -25.822 2.683 1.00 0.00 C ATOM 0 H ILE A 26 -4.358 -22.941 3.435 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.703 -24.815 1.999 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.524 -23.760 1.502 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.600 -26.357 2.817 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.026 -24.924 3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.802 -25.831 0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.522 -24.797 -0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.091 -26.237 0.437 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.976 -26.447 3.530 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.293 -24.913 2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.860 -26.369 1.755 1.00 0.00 H new ATOM 433 N VAL A 27 -3.448 -21.971 0.513 1.00 0.00 N ATOM 434 CA VAL A 27 -3.069 -21.129 -0.658 1.00 0.00 C ATOM 435 C VAL A 27 -1.555 -20.906 -0.663 1.00 0.00 C ATOM 436 O VAL A 27 -0.911 -20.981 -1.691 1.00 0.00 O ATOM 437 CB VAL A 27 -3.783 -19.780 -0.568 1.00 0.00 C ATOM 438 CG1 VAL A 27 -3.237 -18.841 -1.645 1.00 0.00 C ATOM 439 CG2 VAL A 27 -5.284 -19.981 -0.779 1.00 0.00 C ATOM 0 H VAL A 27 -4.071 -21.525 1.186 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.362 -21.636 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.611 -19.343 0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.746 -17.879 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.167 -18.696 -1.493 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.408 -19.277 -2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.792 -19.019 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.458 -20.418 -1.762 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.673 -20.649 -0.011 1.00 0.00 H new ATOM 449 N GLU A 28 -0.982 -20.631 0.476 1.00 0.00 N ATOM 450 CA GLU A 28 0.490 -20.400 0.533 1.00 0.00 C ATOM 451 C GLU A 28 1.227 -21.687 0.158 1.00 0.00 C ATOM 452 O GLU A 28 2.243 -21.659 -0.508 1.00 0.00 O ATOM 453 CB GLU A 28 0.883 -19.981 1.951 1.00 0.00 C ATOM 454 CG GLU A 28 0.285 -18.608 2.263 1.00 0.00 C ATOM 455 CD GLU A 28 0.752 -18.150 3.647 1.00 0.00 C ATOM 456 OE1 GLU A 28 1.363 -18.949 4.338 1.00 0.00 O ATOM 457 OE2 GLU A 28 0.491 -17.010 3.990 1.00 0.00 O ATOM 0 H GLU A 28 -1.468 -20.556 1.369 1.00 0.00 H new ATOM 0 HA GLU A 28 0.761 -19.612 -0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.525 -20.717 2.671 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.969 -19.946 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.592 -17.886 1.507 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.803 -18.658 2.233 1.00 0.00 H new ATOM 464 N VAL A 29 0.727 -22.815 0.580 1.00 0.00 N ATOM 465 CA VAL A 29 1.402 -24.101 0.248 1.00 0.00 C ATOM 466 C VAL A 29 1.135 -24.459 -1.216 1.00 0.00 C ATOM 467 O VAL A 29 2.000 -24.954 -1.911 1.00 0.00 O ATOM 468 CB VAL A 29 0.858 -25.211 1.151 1.00 0.00 C ATOM 469 CG1 VAL A 29 1.640 -26.502 0.896 1.00 0.00 C ATOM 470 CG2 VAL A 29 1.016 -24.799 2.616 1.00 0.00 C ATOM 0 H VAL A 29 -0.121 -22.902 1.141 1.00 0.00 H new ATOM 0 HA VAL A 29 2.476 -23.996 0.405 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.197 -25.375 0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.254 -27.294 1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.529 -26.795 -0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.695 -26.338 1.116 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.629 -25.589 3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.071 -24.636 2.836 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.461 -23.879 2.797 1.00 0.00 H new ATOM 480 N ALA A 30 -0.056 -24.213 -1.689 1.00 0.00 N ATOM 481 CA ALA A 30 -0.376 -24.541 -3.108 1.00 0.00 C ATOM 482 C ALA A 30 0.457 -23.657 -4.039 1.00 0.00 C ATOM 483 O ALA A 30 1.084 -24.133 -4.964 1.00 0.00 O ATOM 484 CB ALA A 30 -1.864 -24.292 -3.365 1.00 0.00 C ATOM 0 H ALA A 30 -0.821 -23.800 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.143 -25.589 -3.299 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -2.099 -24.531 -4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.458 -24.922 -2.703 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.096 -23.244 -3.173 1.00 0.00 H new ATOM 490 N LYS A 31 0.468 -22.374 -3.803 1.00 0.00 N ATOM 491 CA LYS A 31 1.260 -21.463 -4.677 1.00 0.00 C ATOM 492 C LYS A 31 2.738 -21.858 -4.623 1.00 0.00 C ATOM 493 O LYS A 31 3.441 -21.804 -5.613 1.00 0.00 O ATOM 494 CB LYS A 31 1.100 -20.022 -4.188 1.00 0.00 C ATOM 495 CG LYS A 31 -0.339 -19.559 -4.428 1.00 0.00 C ATOM 496 CD LYS A 31 -0.463 -18.076 -4.075 1.00 0.00 C ATOM 497 CE LYS A 31 -1.918 -17.633 -4.237 1.00 0.00 C ATOM 498 NZ LYS A 31 -2.155 -16.404 -3.427 1.00 0.00 N ATOM 0 H LYS A 31 -0.037 -21.917 -3.043 1.00 0.00 H new ATOM 0 HA LYS A 31 0.901 -21.542 -5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.342 -19.958 -3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.796 -19.369 -4.714 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.615 -19.720 -5.470 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.028 -20.147 -3.821 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.132 -17.906 -3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.183 -17.482 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.135 -17.437 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.590 -18.429 -3.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.148 -16.111 -3.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.947 -16.602 -2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.535 -15.640 -3.765 1.00 0.00 H new ATOM 512 N SER A 32 3.215 -22.255 -3.475 1.00 0.00 N ATOM 513 CA SER A 32 4.646 -22.652 -3.362 1.00 0.00 C ATOM 514 C SER A 32 4.950 -23.768 -4.364 1.00 0.00 C ATOM 515 O SER A 32 6.055 -23.891 -4.854 1.00 0.00 O ATOM 516 CB SER A 32 4.926 -23.151 -1.942 1.00 0.00 C ATOM 517 OG SER A 32 4.543 -22.155 -1.006 1.00 0.00 O ATOM 0 H SER A 32 2.676 -22.321 -2.612 1.00 0.00 H new ATOM 0 HA SER A 32 5.279 -21.791 -3.577 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.376 -24.073 -1.754 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.985 -23.383 -1.829 1.00 0.00 H new ATOM 0 HG SER A 32 3.627 -22.327 -0.702 1.00 0.00 H new ATOM 523 N THR A 33 3.978 -24.582 -4.672 1.00 0.00 N ATOM 524 CA THR A 33 4.213 -25.689 -5.642 1.00 0.00 C ATOM 525 C THR A 33 4.261 -25.121 -7.062 1.00 0.00 C ATOM 526 O THR A 33 3.844 -24.007 -7.311 1.00 0.00 O ATOM 527 CB THR A 33 3.077 -26.709 -5.538 1.00 0.00 C ATOM 528 OG1 THR A 33 1.884 -26.142 -6.060 1.00 0.00 O ATOM 529 CG2 THR A 33 2.864 -27.090 -4.072 1.00 0.00 C ATOM 0 H THR A 33 3.032 -24.529 -4.294 1.00 0.00 H new ATOM 0 HA THR A 33 5.161 -26.177 -5.414 1.00 0.00 H new ATOM 0 HB THR A 33 3.336 -27.601 -6.109 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.478 -25.557 -5.387 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.055 -27.816 -3.999 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.780 -27.526 -3.672 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.605 -26.200 -3.499 1.00 0.00 H new ATOM 537 N ASN A 34 4.765 -25.879 -7.997 1.00 0.00 N ATOM 538 CA ASN A 34 4.839 -25.384 -9.400 1.00 0.00 C ATOM 539 C ASN A 34 3.440 -24.987 -9.875 1.00 0.00 C ATOM 540 O ASN A 34 3.270 -24.037 -10.614 1.00 0.00 O ATOM 541 CB ASN A 34 5.389 -26.489 -10.304 1.00 0.00 C ATOM 542 CG ASN A 34 5.633 -25.929 -11.706 1.00 0.00 C ATOM 543 OD1 ASN A 34 4.875 -26.193 -12.619 1.00 0.00 O ATOM 544 ND2 ASN A 34 6.665 -25.160 -11.918 1.00 0.00 N ATOM 0 H ASN A 34 5.129 -26.820 -7.849 1.00 0.00 H new ATOM 0 HA ASN A 34 5.498 -24.517 -9.444 1.00 0.00 H new ATOM 0 HB2 ASN A 34 6.318 -26.882 -9.891 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.685 -27.319 -10.350 1.00 0.00 H new ATOM 0 HD21 ASN A 34 6.836 -24.781 -12.849 1.00 0.00 H new ATOM 0 HD22 ASN A 34 7.301 -24.938 -11.152 1.00 0.00 H new ATOM 551 N SER A 35 2.435 -25.707 -9.457 1.00 0.00 N ATOM 552 CA SER A 35 1.048 -25.370 -9.885 1.00 0.00 C ATOM 553 C SER A 35 0.702 -23.953 -9.425 1.00 0.00 C ATOM 554 O SER A 35 1.307 -23.419 -8.518 1.00 0.00 O ATOM 555 CB SER A 35 0.066 -26.364 -9.260 1.00 0.00 C ATOM 556 OG SER A 35 -0.089 -26.070 -7.879 1.00 0.00 O ATOM 0 H SER A 35 2.514 -26.514 -8.838 1.00 0.00 H new ATOM 0 HA SER A 35 0.979 -25.426 -10.971 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.898 -26.306 -9.766 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.432 -27.383 -9.387 1.00 0.00 H new ATOM 0 HG SER A 35 0.793 -25.995 -7.460 1.00 0.00 H new ATOM 562 N LYS A 36 -0.271 -23.340 -10.044 1.00 0.00 N ATOM 563 CA LYS A 36 -0.655 -21.958 -9.641 1.00 0.00 C ATOM 564 C LYS A 36 -2.017 -21.989 -8.946 1.00 0.00 C ATOM 565 O LYS A 36 -2.895 -22.743 -9.316 1.00 0.00 O ATOM 566 CB LYS A 36 -0.738 -21.069 -10.884 1.00 0.00 C ATOM 567 CG LYS A 36 0.645 -20.962 -11.530 1.00 0.00 C ATOM 568 CD LYS A 36 0.587 -19.980 -12.701 1.00 0.00 C ATOM 569 CE LYS A 36 1.932 -19.971 -13.428 1.00 0.00 C ATOM 570 NZ LYS A 36 2.975 -19.388 -12.535 1.00 0.00 N ATOM 0 H LYS A 36 -0.815 -23.736 -10.810 1.00 0.00 H new ATOM 0 HA LYS A 36 0.093 -21.558 -8.957 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.452 -21.486 -11.595 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.101 -20.078 -10.612 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.376 -20.625 -10.795 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.972 -21.942 -11.879 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.208 -20.266 -13.389 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.351 -18.979 -12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.209 -20.985 -13.715 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.857 -19.389 -14.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.823 -19.161 -13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.609 -18.520 -12.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.222 -20.075 -11.794 1.00 0.00 H new ATOM 584 N VAL A 37 -2.201 -21.177 -7.942 1.00 0.00 N ATOM 585 CA VAL A 37 -3.507 -21.161 -7.225 1.00 0.00 C ATOM 586 C VAL A 37 -4.050 -19.732 -7.187 1.00 0.00 C ATOM 587 O VAL A 37 -3.312 -18.781 -7.020 1.00 0.00 O ATOM 588 CB VAL A 37 -3.312 -21.673 -5.798 1.00 0.00 C ATOM 589 CG1 VAL A 37 -4.670 -21.768 -5.100 1.00 0.00 C ATOM 590 CG2 VAL A 37 -2.658 -23.055 -5.836 1.00 0.00 C ATOM 0 H VAL A 37 -1.503 -20.523 -7.587 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.216 -21.804 -7.746 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.670 -20.984 -5.249 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.531 -22.133 -4.082 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.134 -20.782 -5.072 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.313 -22.456 -5.648 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.519 -23.420 -4.818 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.298 -23.746 -6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.690 -22.986 -6.332 1.00 0.00 H new ATOM 600 N SER A 38 -5.337 -19.571 -7.339 1.00 0.00 N ATOM 601 CA SER A 38 -5.925 -18.203 -7.312 1.00 0.00 C ATOM 602 C SER A 38 -6.870 -18.075 -6.115 1.00 0.00 C ATOM 603 O SER A 38 -7.488 -19.034 -5.696 1.00 0.00 O ATOM 604 CB SER A 38 -6.703 -17.956 -8.605 1.00 0.00 C ATOM 605 OG SER A 38 -5.844 -18.144 -9.719 1.00 0.00 O ATOM 0 H SER A 38 -6.006 -20.328 -7.481 1.00 0.00 H new ATOM 0 HA SER A 38 -5.126 -17.467 -7.223 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.551 -18.638 -8.667 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.107 -16.944 -8.611 1.00 0.00 H new ATOM 0 HG SER A 38 -6.293 -17.835 -10.534 1.00 0.00 H new ATOM 611 N GLY A 39 -6.988 -16.899 -5.564 1.00 0.00 N ATOM 612 CA GLY A 39 -7.893 -16.711 -4.395 1.00 0.00 C ATOM 613 C GLY A 39 -7.059 -16.407 -3.148 1.00 0.00 C ATOM 614 O GLY A 39 -5.988 -15.841 -3.231 1.00 0.00 O ATOM 0 H GLY A 39 -6.497 -16.060 -5.872 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.589 -15.895 -4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.491 -17.609 -4.236 1.00 0.00 H new ATOM 618 N PRO A 40 -7.567 -16.797 -1.969 1.00 0.00 N ATOM 619 CA PRO A 40 -8.860 -17.483 -1.849 1.00 0.00 C ATOM 620 C PRO A 40 -10.032 -16.541 -2.142 1.00 0.00 C ATOM 621 O PRO A 40 -9.972 -15.358 -1.873 1.00 0.00 O ATOM 622 CB PRO A 40 -8.897 -17.920 -0.385 1.00 0.00 C ATOM 623 CG PRO A 40 -7.998 -16.961 0.318 1.00 0.00 C ATOM 624 CD PRO A 40 -6.918 -16.598 -0.662 1.00 0.00 C ATOM 0 HA PRO A 40 -8.954 -18.306 -2.557 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -9.910 -17.879 0.015 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.549 -18.947 -0.269 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.548 -16.075 0.636 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -7.573 -17.412 1.215 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.585 -15.568 -0.531 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.040 -17.234 -0.547 1.00 0.00 H new ATOM 632 N ILE A 41 -11.097 -17.058 -2.691 1.00 0.00 N ATOM 633 CA ILE A 41 -12.270 -16.194 -2.999 1.00 0.00 C ATOM 634 C ILE A 41 -13.343 -16.391 -1.926 1.00 0.00 C ATOM 635 O ILE A 41 -13.840 -17.482 -1.727 1.00 0.00 O ATOM 636 CB ILE A 41 -12.841 -16.574 -4.366 1.00 0.00 C ATOM 637 CG1 ILE A 41 -11.700 -16.703 -5.378 1.00 0.00 C ATOM 638 CG2 ILE A 41 -13.816 -15.492 -4.832 1.00 0.00 C ATOM 639 CD1 ILE A 41 -11.930 -17.937 -6.252 1.00 0.00 C ATOM 0 H ILE A 41 -11.205 -18.041 -2.939 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.957 -15.150 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.366 -17.526 -4.287 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -11.648 -15.809 -5.999 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.746 -16.786 -4.858 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.222 -15.764 -5.806 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.629 -15.401 -4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.292 -14.539 -4.910 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.117 -18.029 -6.973 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.960 -18.827 -5.624 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.876 -17.835 -6.783 1.00 0.00 H new ATOM 651 N PRO A 42 -13.703 -15.309 -1.220 1.00 0.00 N ATOM 652 CA PRO A 42 -14.717 -15.354 -0.159 1.00 0.00 C ATOM 653 C PRO A 42 -16.126 -15.555 -0.726 1.00 0.00 C ATOM 654 O PRO A 42 -16.478 -15.006 -1.751 1.00 0.00 O ATOM 655 CB PRO A 42 -14.609 -13.979 0.498 1.00 0.00 C ATOM 656 CG PRO A 42 -14.049 -13.094 -0.564 1.00 0.00 C ATOM 657 CD PRO A 42 -13.146 -13.957 -1.401 1.00 0.00 C ATOM 0 HA PRO A 42 -14.553 -16.184 0.529 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -15.583 -13.624 0.836 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.959 -14.008 1.373 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -14.845 -12.662 -1.170 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -13.496 -12.263 -0.126 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.158 -13.654 -2.448 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.111 -13.900 -1.065 1.00 0.00 H new ATOM 665 N LEU A 43 -16.935 -16.336 -0.062 1.00 0.00 N ATOM 666 CA LEU A 43 -18.320 -16.571 -0.560 1.00 0.00 C ATOM 667 C LEU A 43 -19.324 -16.070 0.482 1.00 0.00 C ATOM 668 O LEU A 43 -18.952 -15.635 1.553 1.00 0.00 O ATOM 669 CB LEU A 43 -18.528 -18.070 -0.792 1.00 0.00 C ATOM 670 CG LEU A 43 -18.708 -18.333 -2.288 1.00 0.00 C ATOM 671 CD1 LEU A 43 -17.344 -18.296 -2.980 1.00 0.00 C ATOM 672 CD2 LEU A 43 -19.346 -19.708 -2.491 1.00 0.00 C ATOM 0 H LEU A 43 -16.696 -16.821 0.803 1.00 0.00 H new ATOM 0 HA LEU A 43 -18.470 -16.034 -1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.673 -18.630 -0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.404 -18.416 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 43 -19.354 -17.566 -2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.472 -18.483 -4.046 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -16.889 -17.316 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -16.698 -19.062 -2.552 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -19.474 -19.896 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -18.701 -20.475 -2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -20.318 -19.734 -1.998 1.00 0.00 H new ATOM 684 N PRO A 44 -20.625 -16.134 0.157 1.00 0.00 N ATOM 685 CA PRO A 44 -21.689 -15.688 1.063 1.00 0.00 C ATOM 686 C PRO A 44 -21.828 -16.615 2.274 1.00 0.00 C ATOM 687 O PRO A 44 -21.810 -17.823 2.149 1.00 0.00 O ATOM 688 CB PRO A 44 -22.948 -15.758 0.202 1.00 0.00 C ATOM 689 CG PRO A 44 -22.632 -16.773 -0.843 1.00 0.00 C ATOM 690 CD PRO A 44 -21.160 -16.646 -1.118 1.00 0.00 C ATOM 0 HA PRO A 44 -21.492 -14.696 1.469 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -23.816 -16.053 0.792 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.179 -14.790 -0.242 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -22.878 -17.777 -0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.214 -16.595 -1.747 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -20.716 -17.605 -1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -20.961 -15.961 -1.943 1.00 0.00 H new ATOM 698 N THR A 45 -21.962 -16.058 3.447 1.00 0.00 N ATOM 699 CA THR A 45 -22.098 -16.906 4.665 1.00 0.00 C ATOM 700 C THR A 45 -23.556 -17.337 4.831 1.00 0.00 C ATOM 701 O THR A 45 -24.471 -16.591 4.546 1.00 0.00 O ATOM 702 CB THR A 45 -21.660 -16.106 5.894 1.00 0.00 C ATOM 703 OG1 THR A 45 -20.376 -15.545 5.658 1.00 0.00 O ATOM 704 CG2 THR A 45 -21.600 -17.030 7.111 1.00 0.00 C ATOM 0 H THR A 45 -21.983 -15.052 3.614 1.00 0.00 H new ATOM 0 HA THR A 45 -21.469 -17.790 4.562 1.00 0.00 H new ATOM 0 HB THR A 45 -22.377 -15.307 6.083 1.00 0.00 H new ATOM 0 HG1 THR A 45 -19.823 -15.645 6.461 1.00 0.00 H new ATOM 0 HG21 THR A 45 -21.288 -16.460 7.986 1.00 0.00 H new ATOM 0 HG22 THR A 45 -22.586 -17.460 7.291 1.00 0.00 H new ATOM 0 HG23 THR A 45 -20.884 -17.830 6.925 1.00 0.00 H new ATOM 762 N VAL A 49 -22.375 -20.102 9.091 1.00 0.00 N ATOM 763 CA VAL A 49 -21.232 -20.876 8.530 1.00 0.00 C ATOM 764 C VAL A 49 -20.596 -20.091 7.381 1.00 0.00 C ATOM 765 O VAL A 49 -21.273 -19.613 6.493 1.00 0.00 O ATOM 766 CB VAL A 49 -21.738 -22.222 8.006 1.00 0.00 C ATOM 767 CG1 VAL A 49 -20.553 -23.056 7.514 1.00 0.00 C ATOM 768 CG2 VAL A 49 -22.455 -22.970 9.131 1.00 0.00 C ATOM 0 HA VAL A 49 -20.490 -21.043 9.310 1.00 0.00 H new ATOM 0 HB VAL A 49 -22.431 -22.054 7.182 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -20.913 -24.015 7.141 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -20.041 -22.523 6.712 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -19.860 -23.225 8.338 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -22.816 -23.929 8.758 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -21.762 -23.138 9.955 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -23.299 -22.377 9.482 1.00 0.00 H new ATOM 778 N HIS A 50 -19.298 -19.955 7.391 1.00 0.00 N ATOM 779 CA HIS A 50 -18.619 -19.203 6.299 1.00 0.00 C ATOM 780 C HIS A 50 -18.018 -20.194 5.299 1.00 0.00 C ATOM 781 O HIS A 50 -17.609 -21.280 5.657 1.00 0.00 O ATOM 782 CB HIS A 50 -17.507 -18.337 6.890 1.00 0.00 C ATOM 783 CG HIS A 50 -18.090 -17.402 7.912 1.00 0.00 C ATOM 784 ND1 HIS A 50 -18.571 -16.120 7.813 1.00 0.00 N flip ATOM 785 CD2 HIS A 50 -18.231 -17.757 9.244 1.00 0.00 C flip ATOM 786 CE1 HIS A 50 -19.006 -15.685 9.062 1.00 0.00 C flip ATOM 787 NE2 HIS A 50 -18.778 -16.709 9.888 1.00 0.00 N flip ATOM 0 H HIS A 50 -18.679 -20.332 8.108 1.00 0.00 H new ATOM 0 HA HIS A 50 -19.342 -18.565 5.791 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -16.746 -18.967 7.350 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -17.015 -17.769 6.100 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -17.953 -18.703 9.685 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -19.436 -14.726 9.310 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -18.992 -16.698 10.885 1.00 0.00 H new ATOM 795 N LYS A 51 -17.963 -19.830 4.046 1.00 0.00 N ATOM 796 CA LYS A 51 -17.390 -20.754 3.029 1.00 0.00 C ATOM 797 C LYS A 51 -16.442 -19.982 2.109 1.00 0.00 C ATOM 798 O LYS A 51 -16.697 -18.850 1.747 1.00 0.00 O ATOM 799 CB LYS A 51 -18.522 -21.363 2.199 1.00 0.00 C ATOM 800 CG LYS A 51 -19.487 -22.110 3.121 1.00 0.00 C ATOM 801 CD LYS A 51 -20.471 -22.924 2.279 1.00 0.00 C ATOM 802 CE LYS A 51 -21.303 -21.977 1.411 1.00 0.00 C ATOM 803 NZ LYS A 51 -21.990 -22.756 0.343 1.00 0.00 N ATOM 0 H LYS A 51 -18.290 -18.934 3.684 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.838 -21.548 3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.053 -20.579 1.658 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.114 -22.045 1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.932 -22.769 3.789 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.028 -21.402 3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.930 -23.631 1.650 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.124 -23.509 2.927 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -22.037 -21.455 2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -20.661 -21.217 0.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.555 -22.113 -0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.281 -23.235 -0.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -22.614 -23.465 0.778 1.00 0.00 H new ATOM 817 N ARG A 52 -15.351 -20.586 1.727 1.00 0.00 N ATOM 818 CA ARG A 52 -14.387 -19.890 0.830 1.00 0.00 C ATOM 819 C ARG A 52 -14.148 -20.744 -0.417 1.00 0.00 C ATOM 820 O ARG A 52 -14.252 -21.953 -0.381 1.00 0.00 O ATOM 821 CB ARG A 52 -13.063 -19.679 1.568 1.00 0.00 C ATOM 822 CG ARG A 52 -13.240 -18.595 2.631 1.00 0.00 C ATOM 823 CD ARG A 52 -11.897 -18.320 3.311 1.00 0.00 C ATOM 824 NE ARG A 52 -12.114 -17.465 4.511 1.00 0.00 N ATOM 825 CZ ARG A 52 -12.410 -16.202 4.367 1.00 0.00 C ATOM 826 NH1 ARG A 52 -13.609 -15.851 3.991 1.00 0.00 N ATOM 827 NH2 ARG A 52 -11.506 -15.290 4.601 1.00 0.00 N ATOM 0 H ARG A 52 -15.085 -21.533 1.998 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.795 -18.923 0.536 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.741 -20.611 2.033 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.284 -19.389 0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.622 -17.682 2.174 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -13.975 -18.913 3.370 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.425 -19.259 3.601 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.220 -17.824 2.616 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.031 -17.866 5.445 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.316 -16.564 3.809 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.840 -14.864 3.879 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.569 -15.565 4.896 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.737 -14.303 4.489 1.00 0.00 H new ATOM 841 N LEU A 53 -13.834 -20.124 -1.521 1.00 0.00 N ATOM 842 CA LEU A 53 -13.593 -20.902 -2.769 1.00 0.00 C ATOM 843 C LEU A 53 -12.182 -20.616 -3.287 1.00 0.00 C ATOM 844 O LEU A 53 -11.807 -19.479 -3.497 1.00 0.00 O ATOM 845 CB LEU A 53 -14.618 -20.492 -3.827 1.00 0.00 C ATOM 846 CG LEU A 53 -14.864 -21.662 -4.782 1.00 0.00 C ATOM 847 CD1 LEU A 53 -15.663 -21.174 -5.992 1.00 0.00 C ATOM 848 CD2 LEU A 53 -13.523 -22.230 -5.250 1.00 0.00 C ATOM 0 H LEU A 53 -13.734 -19.113 -1.613 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.691 -21.967 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.552 -20.197 -3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.257 -19.626 -4.382 1.00 0.00 H new ATOM 0 HG LEU A 53 -15.427 -22.440 -4.266 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -15.838 -22.007 -6.672 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -16.619 -20.771 -5.658 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -15.102 -20.396 -6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -13.698 -23.063 -5.930 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -12.959 -21.453 -5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.955 -22.579 -4.388 1.00 0.00 H new ATOM 860 N ILE A 54 -11.398 -21.637 -3.497 1.00 0.00 N ATOM 861 CA ILE A 54 -10.012 -21.423 -4.002 1.00 0.00 C ATOM 862 C ILE A 54 -9.878 -22.043 -5.395 1.00 0.00 C ATOM 863 O ILE A 54 -10.101 -23.222 -5.583 1.00 0.00 O ATOM 864 CB ILE A 54 -9.014 -22.085 -3.050 1.00 0.00 C ATOM 865 CG1 ILE A 54 -9.208 -21.529 -1.638 1.00 0.00 C ATOM 866 CG2 ILE A 54 -7.589 -21.790 -3.522 1.00 0.00 C ATOM 867 CD1 ILE A 54 -8.261 -22.246 -0.673 1.00 0.00 C ATOM 0 H ILE A 54 -11.657 -22.611 -3.341 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.805 -20.354 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.180 -23.162 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -9.012 -20.457 -1.628 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.241 -21.667 -1.320 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.877 -22.261 -2.845 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.450 -22.186 -4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.424 -20.713 -3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.399 -21.850 0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.479 -23.314 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.230 -22.085 -0.988 1.00 0.00 H new ATOM 879 N ASP A 55 -9.513 -21.258 -6.371 1.00 0.00 N ATOM 880 CA ASP A 55 -9.365 -21.805 -7.749 1.00 0.00 C ATOM 881 C ASP A 55 -7.923 -22.272 -7.961 1.00 0.00 C ATOM 882 O ASP A 55 -6.983 -21.636 -7.526 1.00 0.00 O ATOM 883 CB ASP A 55 -9.704 -20.718 -8.769 1.00 0.00 C ATOM 884 CG ASP A 55 -9.819 -21.342 -10.162 1.00 0.00 C ATOM 885 OD1 ASP A 55 -9.701 -22.552 -10.258 1.00 0.00 O ATOM 886 OD2 ASP A 55 -10.026 -20.599 -11.107 1.00 0.00 O ATOM 0 H ASP A 55 -9.311 -20.263 -6.274 1.00 0.00 H new ATOM 0 HA ASP A 55 -10.043 -22.649 -7.879 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.641 -20.231 -8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.932 -19.949 -8.766 1.00 0.00 H new ATOM 891 N ILE A 56 -7.741 -23.379 -8.628 1.00 0.00 N ATOM 892 CA ILE A 56 -6.361 -23.886 -8.867 1.00 0.00 C ATOM 893 C ILE A 56 -6.084 -23.916 -10.372 1.00 0.00 C ATOM 894 O ILE A 56 -6.845 -24.466 -11.142 1.00 0.00 O ATOM 895 CB ILE A 56 -6.229 -25.299 -8.296 1.00 0.00 C ATOM 896 CG1 ILE A 56 -6.570 -25.281 -6.804 1.00 0.00 C ATOM 897 CG2 ILE A 56 -4.794 -25.794 -8.485 1.00 0.00 C ATOM 898 CD1 ILE A 56 -6.481 -26.702 -6.243 1.00 0.00 C ATOM 0 H ILE A 56 -8.488 -23.954 -9.017 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.643 -23.229 -8.377 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.915 -25.966 -8.817 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.882 -24.624 -6.271 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.573 -24.882 -6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.700 -26.801 -8.078 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.551 -25.808 -9.547 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -4.107 -25.127 -7.964 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.724 -26.690 -5.180 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.186 -27.346 -6.769 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.469 -27.084 -6.380 1.00 0.00 H new ATOM 910 N ILE A 57 -4.999 -23.328 -10.796 1.00 0.00 N ATOM 911 CA ILE A 57 -4.673 -23.323 -12.250 1.00 0.00 C ATOM 912 C ILE A 57 -3.435 -24.186 -12.499 1.00 0.00 C ATOM 913 O ILE A 57 -2.475 -24.142 -11.756 1.00 0.00 O ATOM 914 CB ILE A 57 -4.394 -21.888 -12.704 1.00 0.00 C ATOM 915 CG1 ILE A 57 -5.593 -21.002 -12.359 1.00 0.00 C ATOM 916 CG2 ILE A 57 -4.163 -21.868 -14.216 1.00 0.00 C ATOM 917 CD1 ILE A 57 -5.246 -19.540 -12.652 1.00 0.00 C ATOM 0 H ILE A 57 -4.324 -22.851 -10.198 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.515 -23.726 -12.813 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.506 -21.512 -12.196 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.463 -21.305 -12.942 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.857 -21.121 -11.308 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.964 -20.846 -14.540 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.309 -22.499 -14.462 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.051 -22.244 -14.725 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.099 -18.907 -12.407 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.388 -19.242 -12.049 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.003 -19.428 -13.709 1.00 0.00 H new ATOM 929 N ASP A 58 -3.449 -24.973 -13.540 1.00 0.00 N ATOM 930 CA ASP A 58 -2.273 -25.839 -13.835 1.00 0.00 C ATOM 931 C ASP A 58 -1.896 -26.631 -12.581 1.00 0.00 C ATOM 932 O ASP A 58 -0.824 -26.468 -12.033 1.00 0.00 O ATOM 933 CB ASP A 58 -1.091 -24.966 -14.262 1.00 0.00 C ATOM 934 CG ASP A 58 0.032 -25.855 -14.797 1.00 0.00 C ATOM 935 OD1 ASP A 58 0.556 -26.642 -14.026 1.00 0.00 O ATOM 936 OD2 ASP A 58 0.351 -25.734 -15.969 1.00 0.00 O ATOM 0 H ASP A 58 -4.224 -25.054 -14.199 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.523 -26.530 -14.640 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.406 -24.259 -15.029 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.733 -24.380 -13.415 1.00 0.00 H new ATOM 941 N PRO A 59 -2.801 -27.505 -12.122 1.00 0.00 N ATOM 942 CA PRO A 59 -2.574 -28.332 -10.930 1.00 0.00 C ATOM 943 C PRO A 59 -1.509 -29.404 -11.175 1.00 0.00 C ATOM 944 O PRO A 59 -1.419 -29.971 -12.246 1.00 0.00 O ATOM 945 CB PRO A 59 -3.932 -28.990 -10.686 1.00 0.00 C ATOM 946 CG PRO A 59 -4.590 -28.998 -12.024 1.00 0.00 C ATOM 947 CD PRO A 59 -4.120 -27.758 -12.730 1.00 0.00 C ATOM 0 HA PRO A 59 -2.213 -27.743 -10.087 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.818 -30.001 -10.294 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.519 -28.430 -9.958 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.319 -29.892 -12.586 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.675 -29.001 -11.924 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.045 -27.911 -13.807 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.802 -26.922 -12.574 1.00 0.00 H new ATOM 955 N SER A 60 -0.700 -29.686 -10.189 1.00 0.00 N ATOM 956 CA SER A 60 0.357 -30.720 -10.366 1.00 0.00 C ATOM 957 C SER A 60 0.316 -31.695 -9.186 1.00 0.00 C ATOM 958 O SER A 60 -0.337 -31.451 -8.191 1.00 0.00 O ATOM 959 CB SER A 60 1.728 -30.043 -10.419 1.00 0.00 C ATOM 960 OG SER A 60 1.567 -28.676 -10.771 1.00 0.00 O ATOM 0 H SER A 60 -0.726 -29.245 -9.270 1.00 0.00 H new ATOM 0 HA SER A 60 0.184 -31.263 -11.295 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.224 -30.125 -9.452 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.365 -30.545 -11.147 1.00 0.00 H new ATOM 0 HG SER A 60 2.445 -28.241 -10.804 1.00 0.00 H new ATOM 966 N PRO A 61 1.033 -32.823 -9.305 1.00 0.00 N ATOM 967 CA PRO A 61 1.084 -33.844 -8.251 1.00 0.00 C ATOM 968 C PRO A 61 1.802 -33.330 -7.001 1.00 0.00 C ATOM 969 O PRO A 61 1.579 -33.802 -5.905 1.00 0.00 O ATOM 970 CB PRO A 61 1.883 -34.980 -8.892 1.00 0.00 C ATOM 971 CG PRO A 61 2.704 -34.310 -9.942 1.00 0.00 C ATOM 972 CD PRO A 61 1.855 -33.190 -10.471 1.00 0.00 C ATOM 0 HA PRO A 61 0.090 -34.144 -7.918 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.511 -35.486 -8.159 1.00 0.00 H new ATOM 0 HB3 PRO A 61 1.225 -35.734 -9.323 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.637 -33.931 -9.526 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.969 -35.008 -10.736 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.461 -32.353 -10.818 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.242 -33.511 -11.313 1.00 0.00 H new ATOM 980 N LYS A 62 2.658 -32.357 -7.158 1.00 0.00 N ATOM 981 CA LYS A 62 3.382 -31.809 -5.979 1.00 0.00 C ATOM 982 C LYS A 62 2.380 -31.129 -5.046 1.00 0.00 C ATOM 983 O LYS A 62 2.586 -31.042 -3.852 1.00 0.00 O ATOM 984 CB LYS A 62 4.421 -30.787 -6.446 1.00 0.00 C ATOM 985 CG LYS A 62 5.240 -30.307 -5.246 1.00 0.00 C ATOM 986 CD LYS A 62 6.199 -29.202 -5.692 1.00 0.00 C ATOM 987 CE LYS A 62 7.133 -28.841 -4.535 1.00 0.00 C ATOM 988 NZ LYS A 62 8.527 -28.706 -5.044 1.00 0.00 N ATOM 0 H LYS A 62 2.886 -31.919 -8.051 1.00 0.00 H new ATOM 0 HA LYS A 62 3.885 -32.618 -5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.077 -31.235 -7.192 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.926 -29.941 -6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.577 -29.934 -4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.800 -31.139 -4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.780 -29.535 -6.552 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.637 -28.323 -6.008 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.812 -27.908 -4.072 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.089 -29.611 -3.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.162 -28.461 -4.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.831 -29.606 -5.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.563 -27.957 -5.764 1.00 0.00 H new ATOM 1002 N THR A 63 1.289 -30.648 -5.582 1.00 0.00 N ATOM 1003 CA THR A 63 0.272 -29.978 -4.726 1.00 0.00 C ATOM 1004 C THR A 63 -0.393 -31.020 -3.825 1.00 0.00 C ATOM 1005 O THR A 63 -0.631 -30.784 -2.657 1.00 0.00 O ATOM 1006 CB THR A 63 -0.787 -29.317 -5.611 1.00 0.00 C ATOM 1007 OG1 THR A 63 -0.151 -28.450 -6.540 1.00 0.00 O ATOM 1008 CG2 THR A 63 -1.754 -28.515 -4.740 1.00 0.00 C ATOM 0 H THR A 63 1.060 -30.691 -6.575 1.00 0.00 H new ATOM 0 HA THR A 63 0.754 -29.217 -4.112 1.00 0.00 H new ATOM 0 HB THR A 63 -1.341 -30.085 -6.151 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.641 -27.603 -6.585 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.508 -28.045 -5.371 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.241 -29.182 -4.028 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.203 -27.746 -4.198 1.00 0.00 H new ATOM 1016 N ILE A 64 -0.692 -32.172 -4.359 1.00 0.00 N ATOM 1017 CA ILE A 64 -1.338 -33.231 -3.534 1.00 0.00 C ATOM 1018 C ILE A 64 -0.380 -33.657 -2.420 1.00 0.00 C ATOM 1019 O ILE A 64 -0.780 -33.880 -1.294 1.00 0.00 O ATOM 1020 CB ILE A 64 -1.664 -34.438 -4.416 1.00 0.00 C ATOM 1021 CG1 ILE A 64 -2.591 -34.003 -5.553 1.00 0.00 C ATOM 1022 CG2 ILE A 64 -2.357 -35.511 -3.575 1.00 0.00 C ATOM 1023 CD1 ILE A 64 -2.725 -35.143 -6.565 1.00 0.00 C ATOM 0 H ILE A 64 -0.517 -32.426 -5.331 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.258 -32.844 -3.097 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.742 -34.843 -4.834 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.571 -33.737 -5.156 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.193 -33.114 -6.041 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.590 -36.371 -4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.697 -35.821 -2.765 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.279 -35.107 -3.157 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.385 -34.834 -7.376 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.743 -35.387 -6.970 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.142 -36.021 -6.071 1.00 0.00 H new ATOM 1035 N ASP A 65 0.884 -33.773 -2.724 1.00 0.00 N ATOM 1036 CA ASP A 65 1.867 -34.183 -1.683 1.00 0.00 C ATOM 1037 C ASP A 65 1.838 -33.176 -0.532 1.00 0.00 C ATOM 1038 O ASP A 65 1.871 -33.541 0.626 1.00 0.00 O ATOM 1039 CB ASP A 65 3.269 -34.221 -2.293 1.00 0.00 C ATOM 1040 CG ASP A 65 3.339 -35.330 -3.344 1.00 0.00 C ATOM 1041 OD1 ASP A 65 2.417 -36.126 -3.397 1.00 0.00 O ATOM 1042 OD2 ASP A 65 4.313 -35.362 -4.079 1.00 0.00 O ATOM 0 H ASP A 65 1.278 -33.601 -3.649 1.00 0.00 H new ATOM 0 HA ASP A 65 1.608 -35.173 -1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.505 -33.259 -2.748 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.011 -34.396 -1.514 1.00 0.00 H new ATOM 1047 N ALA A 66 1.775 -31.909 -0.841 1.00 0.00 N ATOM 1048 CA ALA A 66 1.744 -30.880 0.237 1.00 0.00 C ATOM 1049 C ALA A 66 0.451 -31.022 1.042 1.00 0.00 C ATOM 1050 O ALA A 66 0.437 -30.866 2.246 1.00 0.00 O ATOM 1051 CB ALA A 66 1.804 -29.485 -0.388 1.00 0.00 C ATOM 0 H ALA A 66 1.744 -31.543 -1.792 1.00 0.00 H new ATOM 0 HA ALA A 66 2.600 -31.020 0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.781 -28.732 0.400 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.725 -29.383 -0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.948 -29.345 -1.048 1.00 0.00 H new ATOM 1057 N LEU A 67 -0.638 -31.318 0.386 1.00 0.00 N ATOM 1058 CA LEU A 67 -1.929 -31.469 1.115 1.00 0.00 C ATOM 1059 C LEU A 67 -1.835 -32.652 2.079 1.00 0.00 C ATOM 1060 O LEU A 67 -2.271 -32.577 3.212 1.00 0.00 O ATOM 1061 CB LEU A 67 -3.055 -31.719 0.109 1.00 0.00 C ATOM 1062 CG LEU A 67 -4.391 -31.803 0.850 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -4.816 -30.402 1.295 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -5.455 -32.387 -0.081 1.00 0.00 C ATOM 0 H LEU A 67 -0.689 -31.462 -0.623 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.138 -30.559 1.677 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.085 -30.915 -0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.871 -32.644 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.282 -32.445 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.768 -30.461 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.058 -29.985 1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.925 -29.760 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.407 -32.447 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.565 -31.746 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.153 -33.385 -0.398 1.00 0.00 H new ATOM 1076 N MET A 68 -1.270 -33.744 1.643 1.00 0.00 N ATOM 1077 CA MET A 68 -1.150 -34.929 2.537 1.00 0.00 C ATOM 1078 C MET A 68 -0.209 -34.600 3.698 1.00 0.00 C ATOM 1079 O MET A 68 -0.336 -35.131 4.783 1.00 0.00 O ATOM 1080 CB MET A 68 -0.589 -36.112 1.745 1.00 0.00 C ATOM 1081 CG MET A 68 -1.662 -36.644 0.793 1.00 0.00 C ATOM 1082 SD MET A 68 -1.072 -38.162 0.005 1.00 0.00 S ATOM 1083 CE MET A 68 0.420 -37.462 -0.744 1.00 0.00 C ATOM 0 H MET A 68 -0.886 -33.867 0.706 1.00 0.00 H new ATOM 0 HA MET A 68 -2.133 -35.188 2.929 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.291 -35.801 1.181 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.269 -36.900 2.426 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.584 -36.841 1.341 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.895 -35.895 0.036 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.805 -38.149 -1.498 1.00 0.00 H new ATOM 0 HE2 MET A 68 0.179 -36.508 -1.212 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.176 -37.308 0.026 1.00 0.00 H new ATOM 1093 N ARG A 69 0.736 -33.727 3.478 1.00 0.00 N ATOM 1094 CA ARG A 69 1.684 -33.366 4.569 1.00 0.00 C ATOM 1095 C ARG A 69 0.968 -32.484 5.595 1.00 0.00 C ATOM 1096 O ARG A 69 1.289 -32.491 6.767 1.00 0.00 O ATOM 1097 CB ARG A 69 2.871 -32.601 3.982 1.00 0.00 C ATOM 1098 CG ARG A 69 3.717 -33.549 3.131 1.00 0.00 C ATOM 1099 CD ARG A 69 4.947 -32.805 2.606 1.00 0.00 C ATOM 1100 NE ARG A 69 5.617 -33.627 1.560 1.00 0.00 N ATOM 1101 CZ ARG A 69 5.727 -34.918 1.715 1.00 0.00 C ATOM 1102 NH1 ARG A 69 4.704 -35.692 1.475 1.00 0.00 N ATOM 1103 NH2 ARG A 69 6.858 -35.435 2.109 1.00 0.00 N ATOM 0 H ARG A 69 0.892 -33.249 2.591 1.00 0.00 H new ATOM 0 HA ARG A 69 2.041 -34.274 5.055 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.516 -31.768 3.375 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.476 -32.176 4.783 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.025 -34.410 3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.127 -33.931 2.298 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.652 -31.841 2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.639 -32.603 3.423 1.00 0.00 H new ATOM 0 HE ARG A 69 5.990 -33.181 0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.820 -35.288 1.167 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.789 -36.701 1.596 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.658 -34.830 2.296 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.943 -36.444 2.230 1.00 0.00 H new ATOM 1117 N ILE A 70 0.000 -31.722 5.162 1.00 0.00 N ATOM 1118 CA ILE A 70 -0.734 -30.839 6.111 1.00 0.00 C ATOM 1119 C ILE A 70 -2.164 -31.356 6.287 1.00 0.00 C ATOM 1120 O ILE A 70 -2.826 -31.717 5.334 1.00 0.00 O ATOM 1121 CB ILE A 70 -0.773 -29.415 5.556 1.00 0.00 C ATOM 1122 CG1 ILE A 70 0.654 -28.926 5.303 1.00 0.00 C ATOM 1123 CG2 ILE A 70 -1.457 -28.491 6.565 1.00 0.00 C ATOM 1124 CD1 ILE A 70 0.612 -27.565 4.608 1.00 0.00 C ATOM 0 H ILE A 70 -0.313 -31.673 4.193 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.225 -30.840 7.075 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.331 -29.407 4.620 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.195 -28.848 6.246 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.192 -29.645 4.685 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.484 -27.476 6.169 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.475 -28.838 6.745 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.900 -28.500 7.502 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.629 -27.217 4.428 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.087 -27.658 3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.090 -26.848 5.242 1.00 0.00 H new ATOM 1136 N ASN A 71 -2.644 -31.394 7.499 1.00 0.00 N ATOM 1137 CA ASN A 71 -4.030 -31.888 7.736 1.00 0.00 C ATOM 1138 C ASN A 71 -4.943 -30.705 8.066 1.00 0.00 C ATOM 1139 O ASN A 71 -4.655 -29.911 8.940 1.00 0.00 O ATOM 1140 CB ASN A 71 -4.028 -32.873 8.906 1.00 0.00 C ATOM 1141 CG ASN A 71 -5.430 -33.461 9.081 1.00 0.00 C ATOM 1142 OD1 ASN A 71 -6.157 -33.073 9.974 1.00 0.00 O ATOM 1143 ND2 ASN A 71 -5.842 -34.388 8.260 1.00 0.00 N ATOM 0 H ASN A 71 -2.137 -31.105 8.335 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.395 -32.390 6.840 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.308 -33.671 8.722 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.717 -32.367 9.820 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.775 -34.787 8.368 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.232 -34.713 7.510 1.00 0.00 H new ATOM 1150 N LEU A 72 -6.042 -30.581 7.374 1.00 0.00 N ATOM 1151 CA LEU A 72 -6.972 -29.449 7.649 1.00 0.00 C ATOM 1152 C LEU A 72 -7.431 -29.509 9.107 1.00 0.00 C ATOM 1153 O LEU A 72 -7.632 -30.571 9.661 1.00 0.00 O ATOM 1154 CB LEU A 72 -8.188 -29.552 6.727 1.00 0.00 C ATOM 1155 CG LEU A 72 -9.052 -30.740 7.152 1.00 0.00 C ATOM 1156 CD1 LEU A 72 -10.129 -30.265 8.129 1.00 0.00 C ATOM 1157 CD2 LEU A 72 -9.717 -31.354 5.919 1.00 0.00 C ATOM 0 H LEU A 72 -6.336 -31.214 6.630 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.458 -28.505 7.468 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.770 -28.631 6.771 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.864 -29.675 5.693 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.426 -31.488 7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.745 -31.112 8.432 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.656 -29.828 9.008 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -10.755 -29.516 7.644 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.333 -32.201 6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.343 -30.606 5.432 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.950 -31.694 5.223 1.00 0.00 H new ATOM 1169 N PRO A 73 -7.599 -28.338 9.738 1.00 0.00 N ATOM 1170 CA PRO A 73 -8.036 -28.245 11.136 1.00 0.00 C ATOM 1171 C PRO A 73 -9.501 -28.661 11.303 1.00 0.00 C ATOM 1172 O PRO A 73 -10.306 -28.506 10.407 1.00 0.00 O ATOM 1173 CB PRO A 73 -7.875 -26.760 11.465 1.00 0.00 C ATOM 1174 CG PRO A 73 -7.973 -26.072 10.146 1.00 0.00 C ATOM 1175 CD PRO A 73 -7.376 -27.011 9.136 1.00 0.00 C ATOM 0 HA PRO A 73 -7.462 -28.904 11.787 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.652 -26.419 12.149 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.917 -26.562 11.946 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.011 -25.846 9.901 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.435 -25.124 10.161 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.864 -26.922 8.165 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.316 -26.813 8.979 1.00 0.00 H new ATOM 1183 N ALA A 74 -9.850 -29.189 12.444 1.00 0.00 N ATOM 1184 CA ALA A 74 -11.261 -29.616 12.667 1.00 0.00 C ATOM 1185 C ALA A 74 -12.192 -28.417 12.470 1.00 0.00 C ATOM 1186 O ALA A 74 -11.814 -27.283 12.685 1.00 0.00 O ATOM 1187 CB ALA A 74 -11.413 -30.151 14.092 1.00 0.00 C ATOM 0 H ALA A 74 -9.220 -29.343 13.231 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.521 -30.400 11.956 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.444 -30.463 14.255 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.749 -31.004 14.233 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.154 -29.368 14.804 1.00 0.00 H new ATOM 1193 N GLY A 75 -13.408 -28.660 12.062 1.00 0.00 N ATOM 1194 CA GLY A 75 -14.363 -27.535 11.853 1.00 0.00 C ATOM 1195 C GLY A 75 -14.340 -27.111 10.382 1.00 0.00 C ATOM 1196 O GLY A 75 -14.960 -26.139 9.998 1.00 0.00 O ATOM 0 H GLY A 75 -13.781 -29.589 11.865 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -15.370 -27.841 12.138 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -14.093 -26.692 12.490 1.00 0.00 H new ATOM 1200 N VAL A 76 -13.631 -27.830 9.556 1.00 0.00 N ATOM 1201 CA VAL A 76 -13.572 -27.464 8.112 1.00 0.00 C ATOM 1202 C VAL A 76 -14.079 -28.635 7.269 1.00 0.00 C ATOM 1203 O VAL A 76 -13.914 -29.786 7.624 1.00 0.00 O ATOM 1204 CB VAL A 76 -12.126 -27.145 7.725 1.00 0.00 C ATOM 1205 CG1 VAL A 76 -12.078 -26.686 6.267 1.00 0.00 C ATOM 1206 CG2 VAL A 76 -11.590 -26.033 8.628 1.00 0.00 C ATOM 0 H VAL A 76 -13.090 -28.654 9.818 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.197 -26.589 7.933 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.512 -28.038 7.845 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -11.048 -26.459 5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.460 -27.478 5.623 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.692 -25.793 6.146 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.560 -25.805 8.353 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.203 -25.140 8.509 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.624 -26.360 9.667 1.00 0.00 H new ATOM 1216 N ASP A 77 -14.697 -28.352 6.156 1.00 0.00 N ATOM 1217 CA ASP A 77 -15.216 -29.450 5.292 1.00 0.00 C ATOM 1218 C ASP A 77 -14.854 -29.165 3.833 1.00 0.00 C ATOM 1219 O ASP A 77 -14.640 -28.034 3.445 1.00 0.00 O ATOM 1220 CB ASP A 77 -16.737 -29.535 5.432 1.00 0.00 C ATOM 1221 CG ASP A 77 -17.255 -30.747 4.654 1.00 0.00 C ATOM 1222 OD1 ASP A 77 -16.435 -31.537 4.215 1.00 0.00 O ATOM 1223 OD2 ASP A 77 -18.460 -30.863 4.511 1.00 0.00 O ATOM 0 H ASP A 77 -14.865 -27.408 5.807 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.770 -30.396 5.600 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -17.012 -29.620 6.483 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -17.199 -28.623 5.055 1.00 0.00 H new