USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=14 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 150:sc= 0 USER MOD Set 1.2: A 35 SER OG : rot 140:sc= 0.0907 USER MOD Set 1.3: A 63 THR OG1 : rot -152:sc= -0.955 USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.5!) 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 HD1:sc= -0.404 X(o=-0.4,f=-0.75) USER MOD Single : A 22 SER OG : rot 80:sc= 0.849 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 86:sc= 1.23 USER MOD Single : A 34 ASN : amide:sc=-0.00224 K(o=-0.0022,f=-1.4) USER MOD Single : A 36 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.00448) USER MOD Single : A 38 SER OG : rot -130:sc= -0.221 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -7.29! C(o=-8.6!,f=-7.3!) USER MOD Single : A 51 LYS NZ :NH3+ -137:sc= 0.256 (180deg=-1.37) USER MOD Single : A 60 SER OG : rot 180:sc= -0.497 USER MOD Single : A 62 LYS NZ :NH3+ -166:sc= -0.0106 (180deg=-0.212) USER MOD Single : A 68 MET CE :methyl -165:sc= -3.41! (180deg=-4.06!) USER MOD Single : A 71 ASN : amide:sc= -1.85! C(o=-1.8!,f=-5.2!) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 5 -6.452 -27.394 -17.186 1.00 0.00 N ATOM 46 CA GLN A 5 -7.723 -27.267 -16.418 1.00 0.00 C ATOM 47 C GLN A 5 -7.430 -26.665 -15.042 1.00 0.00 C ATOM 48 O GLN A 5 -6.322 -26.731 -14.547 1.00 0.00 O ATOM 49 CB GLN A 5 -8.355 -28.650 -16.246 1.00 0.00 C ATOM 50 CG GLN A 5 -8.726 -29.214 -17.617 1.00 0.00 C ATOM 51 CD GLN A 5 -9.336 -30.607 -17.449 1.00 0.00 C ATOM 52 OE1 GLN A 5 -9.218 -31.212 -16.402 1.00 0.00 O ATOM 53 NE2 GLN A 5 -9.989 -31.144 -18.443 1.00 0.00 N ATOM 0 HA GLN A 5 -8.411 -26.618 -16.959 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.659 -29.320 -15.742 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.243 -28.580 -15.617 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.436 -28.552 -18.114 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.841 -29.267 -18.251 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.088 -30.636 -19.322 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.400 -32.072 -18.341 1.00 0.00 H new ATOM 62 N LYS A 6 -8.414 -26.077 -14.420 1.00 0.00 N ATOM 63 CA LYS A 6 -8.191 -25.470 -13.077 1.00 0.00 C ATOM 64 C LYS A 6 -8.957 -26.269 -12.022 1.00 0.00 C ATOM 65 O LYS A 6 -9.995 -26.840 -12.295 1.00 0.00 O ATOM 66 CB LYS A 6 -8.688 -24.023 -13.082 1.00 0.00 C ATOM 67 CG LYS A 6 -10.210 -24.008 -13.245 1.00 0.00 C ATOM 68 CD LYS A 6 -10.702 -22.560 -13.300 1.00 0.00 C ATOM 69 CE LYS A 6 -10.347 -21.953 -14.659 1.00 0.00 C ATOM 70 NZ LYS A 6 -10.147 -20.484 -14.509 1.00 0.00 N ATOM 0 H LYS A 6 -9.363 -25.990 -14.783 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.127 -25.487 -12.843 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.406 -23.527 -12.153 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.219 -23.469 -13.895 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -10.494 -24.535 -14.156 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.681 -24.532 -12.413 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -11.780 -22.525 -13.144 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.245 -21.979 -12.499 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -9.441 -22.416 -15.051 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -11.143 -22.151 -15.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.906 -20.070 -15.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -11.022 -20.049 -14.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.374 -20.306 -13.837 1.00 0.00 H new ATOM 84 N ILE A 7 -8.455 -26.314 -10.818 1.00 0.00 N ATOM 85 CA ILE A 7 -9.155 -27.077 -9.748 1.00 0.00 C ATOM 86 C ILE A 7 -9.728 -26.101 -8.717 1.00 0.00 C ATOM 87 O ILE A 7 -9.123 -25.098 -8.395 1.00 0.00 O ATOM 88 CB ILE A 7 -8.165 -28.019 -9.061 1.00 0.00 C ATOM 89 CG1 ILE A 7 -7.541 -28.951 -10.101 1.00 0.00 C ATOM 90 CG2 ILE A 7 -8.899 -28.849 -8.006 1.00 0.00 C ATOM 91 CD1 ILE A 7 -6.446 -29.792 -9.441 1.00 0.00 C ATOM 0 H ILE A 7 -7.591 -25.855 -10.530 1.00 0.00 H new ATOM 0 HA ILE A 7 -9.965 -27.659 -10.188 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.380 -27.434 -8.581 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.305 -29.600 -10.528 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.122 -28.369 -10.922 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.194 -29.521 -7.516 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.343 -28.185 -7.264 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.684 -29.434 -8.485 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.001 -30.456 -10.182 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.677 -29.135 -9.035 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.879 -30.385 -8.635 1.00 0.00 H new ATOM 103 N ARG A 8 -10.891 -26.386 -8.200 1.00 0.00 N ATOM 104 CA ARG A 8 -11.502 -25.475 -7.191 1.00 0.00 C ATOM 105 C ARG A 8 -11.687 -26.228 -5.871 1.00 0.00 C ATOM 106 O ARG A 8 -12.116 -27.364 -5.848 1.00 0.00 O ATOM 107 CB ARG A 8 -12.862 -24.992 -7.698 1.00 0.00 C ATOM 108 CG ARG A 8 -12.665 -24.144 -8.957 1.00 0.00 C ATOM 109 CD ARG A 8 -14.014 -23.589 -9.413 1.00 0.00 C ATOM 110 NE ARG A 8 -14.957 -24.716 -9.661 1.00 0.00 N ATOM 111 CZ ARG A 8 -16.172 -24.667 -9.189 1.00 0.00 C ATOM 112 NH1 ARG A 8 -17.025 -23.802 -9.671 1.00 0.00 N ATOM 113 NH2 ARG A 8 -16.537 -25.480 -8.237 1.00 0.00 N ATOM 0 H ARG A 8 -11.445 -27.210 -8.432 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.848 -24.617 -7.032 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.504 -25.845 -7.918 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -13.363 -24.407 -6.927 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.973 -23.327 -8.753 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.221 -24.747 -9.749 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -14.420 -22.921 -8.653 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.888 -22.999 -10.321 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.652 -25.526 -10.200 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.740 -23.166 -10.416 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.975 -23.763 -9.302 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.872 -26.156 -7.860 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -17.487 -25.440 -7.869 1.00 0.00 H new ATOM 127 N ILE A 9 -11.367 -25.602 -4.772 1.00 0.00 N ATOM 128 CA ILE A 9 -11.524 -26.282 -3.455 1.00 0.00 C ATOM 129 C ILE A 9 -12.492 -25.483 -2.580 1.00 0.00 C ATOM 130 O ILE A 9 -12.387 -24.278 -2.461 1.00 0.00 O ATOM 131 CB ILE A 9 -10.162 -26.369 -2.761 1.00 0.00 C ATOM 132 CG1 ILE A 9 -9.174 -27.107 -3.666 1.00 0.00 C ATOM 133 CG2 ILE A 9 -10.312 -27.130 -1.442 1.00 0.00 C ATOM 134 CD1 ILE A 9 -7.784 -27.084 -3.027 1.00 0.00 C ATOM 0 H ILE A 9 -11.004 -24.650 -4.729 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.919 -27.286 -3.609 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.790 -25.364 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.500 -28.136 -3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.142 -26.636 -4.649 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.343 -27.193 -0.946 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.016 -26.605 -0.797 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.683 -28.135 -1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.079 -27.610 -3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.459 -26.051 -2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -7.822 -27.575 -2.054 1.00 0.00 H new ATOM 146 N LYS A 10 -13.435 -26.144 -1.966 1.00 0.00 N ATOM 147 CA LYS A 10 -14.409 -25.421 -1.100 1.00 0.00 C ATOM 148 C LYS A 10 -14.127 -25.749 0.368 1.00 0.00 C ATOM 149 O LYS A 10 -13.966 -26.895 0.738 1.00 0.00 O ATOM 150 CB LYS A 10 -15.830 -25.860 -1.456 1.00 0.00 C ATOM 151 CG LYS A 10 -16.228 -25.255 -2.804 1.00 0.00 C ATOM 152 CD LYS A 10 -17.663 -25.661 -3.142 1.00 0.00 C ATOM 153 CE LYS A 10 -17.963 -25.312 -4.601 1.00 0.00 C ATOM 154 NZ LYS A 10 -18.782 -24.068 -4.656 1.00 0.00 N ATOM 0 H LYS A 10 -13.573 -27.153 -2.027 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.309 -24.347 -1.258 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.885 -26.948 -1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.526 -25.539 -0.681 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.146 -24.169 -2.766 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -15.548 -25.599 -3.584 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -17.798 -26.730 -2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.362 -25.147 -2.483 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.033 -25.172 -5.151 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.497 -26.133 -5.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.986 -23.830 -5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.675 -24.218 -4.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.257 -23.287 -4.214 1.00 0.00 H new ATOM 168 N LEU A 11 -14.067 -24.752 1.207 1.00 0.00 N ATOM 169 CA LEU A 11 -13.797 -25.008 2.650 1.00 0.00 C ATOM 170 C LEU A 11 -14.993 -24.544 3.484 1.00 0.00 C ATOM 171 O LEU A 11 -15.466 -23.433 3.343 1.00 0.00 O ATOM 172 CB LEU A 11 -12.547 -24.235 3.079 1.00 0.00 C ATOM 173 CG LEU A 11 -11.376 -24.610 2.169 1.00 0.00 C ATOM 174 CD1 LEU A 11 -11.523 -23.892 0.826 1.00 0.00 C ATOM 175 CD2 LEU A 11 -10.062 -24.191 2.830 1.00 0.00 C ATOM 0 H LEU A 11 -14.193 -23.771 0.956 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.638 -26.075 2.806 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.734 -23.162 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.303 -24.465 4.116 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.373 -25.688 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.689 -24.159 0.177 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.459 -24.191 0.354 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -11.526 -22.814 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.227 -24.458 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.064 -23.113 2.993 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.957 -24.703 3.787 1.00 0.00 H new ATOM 187 N LYS A 12 -15.485 -25.385 4.351 1.00 0.00 N ATOM 188 CA LYS A 12 -16.650 -24.990 5.192 1.00 0.00 C ATOM 189 C LYS A 12 -16.232 -24.969 6.664 1.00 0.00 C ATOM 190 O LYS A 12 -15.538 -25.846 7.134 1.00 0.00 O ATOM 191 CB LYS A 12 -17.785 -25.998 4.999 1.00 0.00 C ATOM 192 CG LYS A 12 -18.114 -26.117 3.510 1.00 0.00 C ATOM 193 CD LYS A 12 -19.404 -26.921 3.337 1.00 0.00 C ATOM 194 CE LYS A 12 -19.739 -27.033 1.848 1.00 0.00 C ATOM 195 NZ LYS A 12 -20.816 -28.046 1.656 1.00 0.00 N ATOM 0 H LYS A 12 -15.131 -26.328 4.514 1.00 0.00 H new ATOM 0 HA LYS A 12 -16.991 -23.998 4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.494 -26.970 5.397 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.668 -25.678 5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.229 -25.126 3.071 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.294 -26.606 2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -19.287 -27.914 3.770 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.222 -26.436 3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -20.062 -26.066 1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -18.851 -27.320 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.044 -28.123 0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -20.491 -28.969 2.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -21.665 -27.754 2.181 1.00 0.00 H new ATOM 209 N ALA A 13 -16.649 -23.971 7.394 1.00 0.00 N ATOM 210 CA ALA A 13 -16.276 -23.893 8.834 1.00 0.00 C ATOM 211 C ALA A 13 -17.245 -22.961 9.563 1.00 0.00 C ATOM 212 O ALA A 13 -17.716 -21.985 9.013 1.00 0.00 O ATOM 213 CB ALA A 13 -14.851 -23.350 8.964 1.00 0.00 C ATOM 0 H ALA A 13 -17.232 -23.206 7.055 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.327 -24.888 9.276 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.578 -23.293 10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.160 -24.014 8.446 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.799 -22.355 8.521 1.00 0.00 H new ATOM 219 N TYR A 14 -17.549 -23.254 10.799 1.00 0.00 N ATOM 220 CA TYR A 14 -18.489 -22.385 11.561 1.00 0.00 C ATOM 221 C TYR A 14 -17.856 -21.008 11.772 1.00 0.00 C ATOM 222 O TYR A 14 -18.518 -19.992 11.696 1.00 0.00 O ATOM 223 CB TYR A 14 -18.785 -23.024 12.920 1.00 0.00 C ATOM 224 CG TYR A 14 -19.369 -24.401 12.712 1.00 0.00 C ATOM 225 CD1 TYR A 14 -20.724 -24.546 12.395 1.00 0.00 C ATOM 226 CD2 TYR A 14 -18.554 -25.532 12.837 1.00 0.00 C ATOM 227 CE1 TYR A 14 -21.266 -25.823 12.203 1.00 0.00 C ATOM 228 CE2 TYR A 14 -19.095 -26.809 12.645 1.00 0.00 C ATOM 229 CZ TYR A 14 -20.451 -26.954 12.328 1.00 0.00 C ATOM 230 OH TYR A 14 -20.985 -28.213 12.139 1.00 0.00 O ATOM 0 H TYR A 14 -17.187 -24.057 11.313 1.00 0.00 H new ATOM 0 HA TYR A 14 -19.417 -22.275 11.000 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -17.871 -23.090 13.510 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -19.482 -22.403 13.482 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.352 -23.673 12.298 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -17.508 -25.420 13.082 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -22.312 -25.935 11.959 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -18.466 -27.682 12.741 1.00 0.00 H new ATOM 0 HH TYR A 14 -20.284 -28.887 12.261 1.00 0.00 H new ATOM 240 N ASP A 15 -16.580 -20.966 12.038 1.00 0.00 N ATOM 241 CA ASP A 15 -15.907 -19.654 12.255 1.00 0.00 C ATOM 242 C ASP A 15 -15.227 -19.206 10.960 1.00 0.00 C ATOM 243 O ASP A 15 -14.428 -19.921 10.388 1.00 0.00 O ATOM 244 CB ASP A 15 -14.858 -19.795 13.357 1.00 0.00 C ATOM 245 CG ASP A 15 -15.554 -20.053 14.695 1.00 0.00 C ATOM 246 OD1 ASP A 15 -16.761 -19.889 14.752 1.00 0.00 O ATOM 247 OD2 ASP A 15 -14.869 -20.411 15.638 1.00 0.00 O ATOM 0 H ASP A 15 -15.974 -21.783 12.115 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.649 -18.912 12.551 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.179 -20.615 13.124 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.255 -18.889 13.418 1.00 0.00 H new ATOM 252 N HIS A 16 -15.537 -18.028 10.492 1.00 0.00 N ATOM 253 CA HIS A 16 -14.906 -17.536 9.235 1.00 0.00 C ATOM 254 C HIS A 16 -13.435 -17.209 9.498 1.00 0.00 C ATOM 255 O HIS A 16 -12.600 -17.315 8.623 1.00 0.00 O ATOM 256 CB HIS A 16 -15.633 -16.278 8.758 1.00 0.00 C ATOM 257 CG HIS A 16 -15.382 -15.155 9.726 1.00 0.00 C ATOM 258 ND1 HIS A 16 -14.393 -14.206 9.519 1.00 0.00 N ATOM 259 CD2 HIS A 16 -15.986 -14.814 10.912 1.00 0.00 C ATOM 260 CE1 HIS A 16 -14.430 -13.348 10.554 1.00 0.00 C ATOM 261 NE2 HIS A 16 -15.383 -13.672 11.433 1.00 0.00 N ATOM 0 H HIS A 16 -16.200 -17.385 10.926 1.00 0.00 H new ATOM 0 HA HIS A 16 -14.974 -18.307 8.467 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -15.285 -15.999 7.763 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -16.703 -16.472 8.679 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -16.804 -15.350 11.370 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -13.770 -12.500 10.662 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.618 -13.187 12.299 1.00 0.00 H new ATOM 269 N GLU A 17 -13.112 -16.812 10.698 1.00 0.00 N ATOM 270 CA GLU A 17 -11.694 -16.480 11.017 1.00 0.00 C ATOM 271 C GLU A 17 -10.826 -17.722 10.812 1.00 0.00 C ATOM 272 O GLU A 17 -9.715 -17.642 10.324 1.00 0.00 O ATOM 273 CB GLU A 17 -11.592 -16.020 12.473 1.00 0.00 C ATOM 274 CG GLU A 17 -10.163 -15.557 12.761 1.00 0.00 C ATOM 275 CD GLU A 17 -10.030 -15.214 14.247 1.00 0.00 C ATOM 276 OE1 GLU A 17 -11.004 -15.377 14.962 1.00 0.00 O ATOM 277 OE2 GLU A 17 -8.954 -14.795 14.643 1.00 0.00 O ATOM 0 H GLU A 17 -13.768 -16.703 11.471 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.349 -15.681 10.361 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.294 -15.207 12.659 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.864 -16.835 13.143 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.454 -16.340 12.492 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.921 -14.686 12.152 1.00 0.00 H new ATOM 284 N LEU A 18 -11.322 -18.871 11.183 1.00 0.00 N ATOM 285 CA LEU A 18 -10.526 -20.118 11.009 1.00 0.00 C ATOM 286 C LEU A 18 -10.479 -20.491 9.526 1.00 0.00 C ATOM 287 O LEU A 18 -9.445 -20.849 8.998 1.00 0.00 O ATOM 288 CB LEU A 18 -11.179 -21.252 11.801 1.00 0.00 C ATOM 289 CG LEU A 18 -10.867 -21.080 13.289 1.00 0.00 C ATOM 290 CD1 LEU A 18 -11.524 -19.797 13.803 1.00 0.00 C ATOM 291 CD2 LEU A 18 -11.415 -22.279 14.066 1.00 0.00 C ATOM 0 H LEU A 18 -12.244 -18.999 11.599 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.512 -19.957 11.374 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.257 -21.247 11.642 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.809 -22.215 11.450 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.788 -21.017 13.429 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.302 -19.674 14.863 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.135 -18.942 13.249 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.603 -19.860 13.663 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.193 -22.158 15.126 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.494 -22.341 13.926 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.948 -23.194 13.700 1.00 0.00 H new ATOM 303 N LEU A 19 -11.592 -20.409 8.849 1.00 0.00 N ATOM 304 CA LEU A 19 -11.611 -20.758 7.401 1.00 0.00 C ATOM 305 C LEU A 19 -10.626 -19.862 6.648 1.00 0.00 C ATOM 306 O LEU A 19 -9.892 -20.315 5.791 1.00 0.00 O ATOM 307 CB LEU A 19 -13.020 -20.548 6.846 1.00 0.00 C ATOM 308 CG LEU A 19 -13.077 -21.040 5.398 1.00 0.00 C ATOM 309 CD1 LEU A 19 -12.712 -22.524 5.349 1.00 0.00 C ATOM 310 CD2 LEU A 19 -14.491 -20.842 4.849 1.00 0.00 C ATOM 0 H LEU A 19 -12.489 -20.115 9.237 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.322 -21.801 7.274 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.746 -21.088 7.454 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.287 -19.492 6.893 1.00 0.00 H new ATOM 0 HG LEU A 19 -12.370 -20.473 4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.753 -22.875 4.318 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.704 -22.664 5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.419 -23.093 5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.533 -21.192 3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.199 -21.409 5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.750 -19.784 4.884 1.00 0.00 H new ATOM 322 N ASP A 20 -10.604 -18.595 6.959 1.00 0.00 N ATOM 323 CA ASP A 20 -9.665 -17.673 6.260 1.00 0.00 C ATOM 324 C ASP A 20 -8.227 -18.148 6.478 1.00 0.00 C ATOM 325 O ASP A 20 -7.440 -18.217 5.556 1.00 0.00 O ATOM 326 CB ASP A 20 -9.826 -16.260 6.821 1.00 0.00 C ATOM 327 CG ASP A 20 -9.063 -15.270 5.938 1.00 0.00 C ATOM 328 OD1 ASP A 20 -8.514 -15.701 4.938 1.00 0.00 O ATOM 329 OD2 ASP A 20 -9.040 -14.100 6.279 1.00 0.00 O ATOM 0 H ASP A 20 -11.195 -18.159 7.666 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.888 -17.668 5.193 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.882 -15.991 6.859 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.449 -16.218 7.843 1.00 0.00 H new ATOM 334 N GLU A 21 -7.879 -18.476 7.693 1.00 0.00 N ATOM 335 CA GLU A 21 -6.492 -18.946 7.968 1.00 0.00 C ATOM 336 C GLU A 21 -6.271 -20.302 7.296 1.00 0.00 C ATOM 337 O GLU A 21 -5.224 -20.566 6.740 1.00 0.00 O ATOM 338 CB GLU A 21 -6.293 -19.087 9.478 1.00 0.00 C ATOM 339 CG GLU A 21 -6.382 -17.709 10.136 1.00 0.00 C ATOM 340 CD GLU A 21 -6.124 -17.843 11.639 1.00 0.00 C ATOM 341 OE1 GLU A 21 -6.070 -18.965 12.112 1.00 0.00 O ATOM 342 OE2 GLU A 21 -5.987 -16.820 12.289 1.00 0.00 O ATOM 0 H GLU A 21 -8.495 -18.439 8.505 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.778 -18.224 7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.051 -19.750 9.895 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.324 -19.539 9.687 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.652 -17.033 9.690 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.366 -17.274 9.963 1.00 0.00 H new ATOM 349 N SER A 22 -7.250 -21.164 7.340 1.00 0.00 N ATOM 350 CA SER A 22 -7.094 -22.502 6.702 1.00 0.00 C ATOM 351 C SER A 22 -6.840 -22.323 5.205 1.00 0.00 C ATOM 352 O SER A 22 -5.982 -22.964 4.630 1.00 0.00 O ATOM 353 CB SER A 22 -8.373 -23.318 6.908 1.00 0.00 C ATOM 354 OG SER A 22 -8.670 -23.390 8.295 1.00 0.00 O ATOM 0 H SER A 22 -8.151 -21.000 7.790 1.00 0.00 H new ATOM 0 HA SER A 22 -6.252 -23.026 7.155 1.00 0.00 H new ATOM 0 HB2 SER A 22 -9.202 -22.857 6.371 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.247 -24.321 6.500 1.00 0.00 H new ATOM 0 HG SER A 22 -9.103 -22.559 8.580 1.00 0.00 H new ATOM 360 N ALA A 23 -7.579 -21.457 4.567 1.00 0.00 N ATOM 361 CA ALA A 23 -7.380 -21.238 3.106 1.00 0.00 C ATOM 362 C ALA A 23 -5.969 -20.702 2.860 1.00 0.00 C ATOM 363 O ALA A 23 -5.293 -21.109 1.936 1.00 0.00 O ATOM 364 CB ALA A 23 -8.408 -20.224 2.598 1.00 0.00 C ATOM 0 H ALA A 23 -8.312 -20.891 4.994 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.508 -22.181 2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.263 -20.063 1.530 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -9.414 -20.606 2.775 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.280 -19.280 3.128 1.00 0.00 H new ATOM 370 N LYS A 24 -5.518 -19.790 3.679 1.00 0.00 N ATOM 371 CA LYS A 24 -4.151 -19.231 3.489 1.00 0.00 C ATOM 372 C LYS A 24 -3.122 -20.358 3.586 1.00 0.00 C ATOM 373 O LYS A 24 -2.235 -20.475 2.764 1.00 0.00 O ATOM 374 CB LYS A 24 -3.871 -18.189 4.574 1.00 0.00 C ATOM 375 CG LYS A 24 -2.534 -17.501 4.290 1.00 0.00 C ATOM 376 CD LYS A 24 -2.240 -16.480 5.391 1.00 0.00 C ATOM 377 CE LYS A 24 -0.995 -15.672 5.020 1.00 0.00 C ATOM 378 NZ LYS A 24 -0.148 -15.483 6.231 1.00 0.00 N ATOM 0 H LYS A 24 -6.037 -19.409 4.470 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.083 -18.761 2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.673 -17.451 4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.845 -18.667 5.553 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.735 -18.241 4.243 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.567 -17.006 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.093 -15.814 5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.086 -16.990 6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.430 -16.190 4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.285 -14.704 4.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.699 -14.934 5.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -0.690 -14.972 6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 0.139 -16.411 6.602 1.00 0.00 H new ATOM 392 N LYS A 25 -3.233 -21.191 4.585 1.00 0.00 N ATOM 393 CA LYS A 25 -2.262 -22.311 4.731 1.00 0.00 C ATOM 394 C LYS A 25 -2.262 -23.154 3.454 1.00 0.00 C ATOM 395 O LYS A 25 -1.223 -23.477 2.912 1.00 0.00 O ATOM 396 CB LYS A 25 -2.667 -23.185 5.920 1.00 0.00 C ATOM 397 CG LYS A 25 -2.541 -22.377 7.213 1.00 0.00 C ATOM 398 CD LYS A 25 -2.942 -23.252 8.403 1.00 0.00 C ATOM 399 CE LYS A 25 -1.895 -24.350 8.603 1.00 0.00 C ATOM 400 NZ LYS A 25 -2.344 -25.273 9.684 1.00 0.00 N ATOM 0 H LYS A 25 -3.954 -21.144 5.305 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.264 -21.908 4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.692 -23.535 5.796 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.032 -24.070 5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.517 -22.025 7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -3.178 -21.494 7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.024 -22.644 9.304 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.922 -23.696 8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.750 -24.903 7.675 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.934 -23.908 8.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.633 -26.020 9.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.461 -24.740 10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.252 -25.704 9.417 1.00 0.00 H new ATOM 414 N ILE A 26 -3.419 -23.512 2.970 1.00 0.00 N ATOM 415 CA ILE A 26 -3.485 -24.332 1.726 1.00 0.00 C ATOM 416 C ILE A 26 -2.951 -23.513 0.550 1.00 0.00 C ATOM 417 O ILE A 26 -2.226 -24.012 -0.287 1.00 0.00 O ATOM 418 CB ILE A 26 -4.937 -24.730 1.454 1.00 0.00 C ATOM 419 CG1 ILE A 26 -5.482 -25.522 2.645 1.00 0.00 C ATOM 420 CG2 ILE A 26 -5.001 -25.597 0.195 1.00 0.00 C ATOM 421 CD1 ILE A 26 -6.966 -25.820 2.423 1.00 0.00 C ATOM 0 H ILE A 26 -4.321 -23.273 3.381 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.880 -25.230 1.849 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.538 -23.832 1.309 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.927 -26.453 2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.348 -24.954 3.565 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.035 -25.881 0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.614 -25.034 -0.654 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.400 -26.494 0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -7.355 -26.384 3.271 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.515 -24.883 2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.087 -26.405 1.512 1.00 0.00 H new ATOM 433 N VAL A 27 -3.303 -22.258 0.480 1.00 0.00 N ATOM 434 CA VAL A 27 -2.814 -21.408 -0.642 1.00 0.00 C ATOM 435 C VAL A 27 -1.289 -21.308 -0.578 1.00 0.00 C ATOM 436 O VAL A 27 -0.605 -21.455 -1.571 1.00 0.00 O ATOM 437 CB VAL A 27 -3.423 -20.009 -0.523 1.00 0.00 C ATOM 438 CG1 VAL A 27 -2.800 -19.090 -1.576 1.00 0.00 C ATOM 439 CG2 VAL A 27 -4.935 -20.090 -0.748 1.00 0.00 C ATOM 0 H VAL A 27 -3.908 -21.785 1.151 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.109 -21.853 -1.592 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.224 -19.610 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.234 -18.094 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.723 -19.032 -1.417 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.999 -19.489 -2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.369 -19.094 -0.663 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.134 -20.489 -1.743 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.380 -20.745 0.001 1.00 0.00 H new ATOM 449 N GLU A 28 -0.750 -21.058 0.584 1.00 0.00 N ATOM 450 CA GLU A 28 0.731 -20.949 0.711 1.00 0.00 C ATOM 451 C GLU A 28 1.379 -22.261 0.262 1.00 0.00 C ATOM 452 O GLU A 28 2.391 -22.265 -0.410 1.00 0.00 O ATOM 453 CB GLU A 28 1.098 -20.672 2.170 1.00 0.00 C ATOM 454 CG GLU A 28 0.601 -19.281 2.567 1.00 0.00 C ATOM 455 CD GLU A 28 1.239 -18.232 1.655 1.00 0.00 C ATOM 456 OE1 GLU A 28 2.236 -18.550 1.027 1.00 0.00 O ATOM 457 OE2 GLU A 28 0.722 -17.128 1.601 1.00 0.00 O ATOM 0 H GLU A 28 -1.271 -20.925 1.451 1.00 0.00 H new ATOM 0 HA GLU A 28 1.091 -20.133 0.084 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.653 -21.427 2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.178 -20.735 2.303 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.485 -19.235 2.488 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.854 -19.076 3.607 1.00 0.00 H new ATOM 464 N VAL A 29 0.802 -23.373 0.625 1.00 0.00 N ATOM 465 CA VAL A 29 1.386 -24.682 0.218 1.00 0.00 C ATOM 466 C VAL A 29 1.187 -24.883 -1.286 1.00 0.00 C ATOM 467 O VAL A 29 2.073 -25.332 -1.984 1.00 0.00 O ATOM 468 CB VAL A 29 0.688 -25.811 0.979 1.00 0.00 C ATOM 469 CG1 VAL A 29 1.376 -27.141 0.661 1.00 0.00 C ATOM 470 CG2 VAL A 29 0.771 -25.541 2.482 1.00 0.00 C ATOM 0 H VAL A 29 -0.048 -23.432 1.186 1.00 0.00 H new ATOM 0 HA VAL A 29 2.451 -24.692 0.449 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.358 -25.861 0.676 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.880 -27.946 1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.317 -27.334 -0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.422 -27.091 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.274 -26.345 3.024 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.817 -25.491 2.786 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.282 -24.594 2.709 1.00 0.00 H new ATOM 480 N ALA A 30 0.031 -24.550 -1.790 1.00 0.00 N ATOM 481 CA ALA A 30 -0.222 -24.721 -3.248 1.00 0.00 C ATOM 482 C ALA A 30 0.679 -23.768 -4.036 1.00 0.00 C ATOM 483 O ALA A 30 1.311 -24.151 -5.001 1.00 0.00 O ATOM 484 CB ALA A 30 -1.688 -24.403 -3.553 1.00 0.00 C ATOM 0 H ALA A 30 -0.749 -24.167 -1.256 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.005 -25.750 -3.536 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.873 -24.528 -4.620 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.332 -25.080 -2.991 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.905 -23.374 -3.265 1.00 0.00 H new ATOM 490 N LYS A 31 0.746 -22.529 -3.631 1.00 0.00 N ATOM 491 CA LYS A 31 1.607 -21.554 -4.356 1.00 0.00 C ATOM 492 C LYS A 31 3.049 -22.064 -4.378 1.00 0.00 C ATOM 493 O LYS A 31 3.761 -21.902 -5.350 1.00 0.00 O ATOM 494 CB LYS A 31 1.556 -20.199 -3.645 1.00 0.00 C ATOM 495 CG LYS A 31 0.176 -19.569 -3.845 1.00 0.00 C ATOM 496 CD LYS A 31 0.186 -18.137 -3.307 1.00 0.00 C ATOM 497 CE LYS A 31 -1.223 -17.547 -3.400 1.00 0.00 C ATOM 498 NZ LYS A 31 -1.243 -16.471 -4.431 1.00 0.00 N ATOM 0 H LYS A 31 0.241 -22.151 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 31 1.246 -21.441 -5.378 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.759 -20.327 -2.582 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.329 -19.540 -4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.086 -19.569 -4.903 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.582 -20.157 -3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.528 -18.128 -2.272 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.886 -17.527 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.939 -18.327 -3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.525 -17.145 -2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.200 -16.069 -4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.571 -15.723 -4.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.972 -16.869 -5.353 1.00 0.00 H new ATOM 512 N SER A 32 3.486 -22.681 -3.315 1.00 0.00 N ATOM 513 CA SER A 32 4.883 -23.201 -3.275 1.00 0.00 C ATOM 514 C SER A 32 5.099 -24.170 -4.439 1.00 0.00 C ATOM 515 O SER A 32 6.173 -24.250 -5.001 1.00 0.00 O ATOM 516 CB SER A 32 5.117 -23.932 -1.952 1.00 0.00 C ATOM 517 OG SER A 32 4.827 -23.060 -0.870 1.00 0.00 O ATOM 0 H SER A 32 2.937 -22.848 -2.472 1.00 0.00 H new ATOM 0 HA SER A 32 5.583 -22.370 -3.359 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.485 -24.818 -1.898 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.150 -24.273 -1.891 1.00 0.00 H new ATOM 0 HG SER A 32 3.868 -23.093 -0.671 1.00 0.00 H new ATOM 523 N THR A 33 4.086 -24.907 -4.805 1.00 0.00 N ATOM 524 CA THR A 33 4.234 -25.871 -5.932 1.00 0.00 C ATOM 525 C THR A 33 4.264 -25.106 -7.256 1.00 0.00 C ATOM 526 O THR A 33 3.742 -24.014 -7.365 1.00 0.00 O ATOM 527 CB THR A 33 3.053 -26.843 -5.929 1.00 0.00 C ATOM 528 OG1 THR A 33 2.923 -27.425 -4.640 1.00 0.00 O ATOM 529 CG2 THR A 33 3.292 -27.940 -6.966 1.00 0.00 C ATOM 0 H THR A 33 3.163 -24.883 -4.372 1.00 0.00 H new ATOM 0 HA THR A 33 5.163 -26.429 -5.815 1.00 0.00 H new ATOM 0 HB THR A 33 2.138 -26.305 -6.177 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.981 -27.638 -4.471 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.450 -28.633 -6.964 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.390 -27.491 -7.954 1.00 0.00 H new ATOM 0 HG23 THR A 33 4.207 -28.480 -6.720 1.00 0.00 H new ATOM 537 N ASN A 34 4.871 -25.670 -8.265 1.00 0.00 N ATOM 538 CA ASN A 34 4.933 -24.975 -9.581 1.00 0.00 C ATOM 539 C ASN A 34 3.529 -24.517 -9.982 1.00 0.00 C ATOM 540 O ASN A 34 3.361 -23.534 -10.677 1.00 0.00 O ATOM 541 CB ASN A 34 5.480 -25.933 -10.640 1.00 0.00 C ATOM 542 CG ASN A 34 6.916 -26.322 -10.283 1.00 0.00 C ATOM 543 OD1 ASN A 34 7.598 -25.599 -9.586 1.00 0.00 O ATOM 544 ND2 ASN A 34 7.406 -27.444 -10.734 1.00 0.00 N ATOM 0 H ASN A 34 5.326 -26.582 -8.234 1.00 0.00 H new ATOM 0 HA ASN A 34 5.590 -24.108 -9.503 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.854 -26.824 -10.698 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.453 -25.460 -11.622 1.00 0.00 H new ATOM 0 HD21 ASN A 34 8.362 -27.713 -10.501 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.833 -28.052 -11.320 1.00 0.00 H new ATOM 551 N SER A 35 2.519 -25.222 -9.551 1.00 0.00 N ATOM 552 CA SER A 35 1.129 -24.827 -9.908 1.00 0.00 C ATOM 553 C SER A 35 0.802 -23.475 -9.270 1.00 0.00 C ATOM 554 O SER A 35 1.424 -23.065 -8.310 1.00 0.00 O ATOM 555 CB SER A 35 0.150 -25.884 -9.393 1.00 0.00 C ATOM 556 OG SER A 35 0.070 -25.804 -7.978 1.00 0.00 O ATOM 0 H SER A 35 2.597 -26.055 -8.967 1.00 0.00 H new ATOM 0 HA SER A 35 1.041 -24.748 -10.992 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.835 -25.728 -9.833 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.480 -26.878 -9.694 1.00 0.00 H new ATOM 0 HG SER A 35 -0.860 -25.927 -7.695 1.00 0.00 H new ATOM 562 N LYS A 36 -0.171 -22.780 -9.794 1.00 0.00 N ATOM 563 CA LYS A 36 -0.536 -21.456 -9.217 1.00 0.00 C ATOM 564 C LYS A 36 -1.937 -21.536 -8.607 1.00 0.00 C ATOM 565 O LYS A 36 -2.762 -22.325 -9.024 1.00 0.00 O ATOM 566 CB LYS A 36 -0.518 -20.396 -10.319 1.00 0.00 C ATOM 567 CG LYS A 36 0.910 -20.234 -10.847 1.00 0.00 C ATOM 568 CD LYS A 36 0.953 -19.086 -11.857 1.00 0.00 C ATOM 569 CE LYS A 36 2.351 -19.006 -12.475 1.00 0.00 C ATOM 570 NZ LYS A 36 2.472 -20.017 -13.564 1.00 0.00 N ATOM 0 H LYS A 36 -0.728 -23.072 -10.597 1.00 0.00 H new ATOM 0 HA LYS A 36 0.183 -21.186 -8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.186 -20.687 -11.130 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.884 -19.446 -9.930 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.593 -20.033 -10.022 1.00 0.00 H new ATOM 0 HG3 LYS A 36 1.242 -21.159 -11.318 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.207 -19.244 -12.636 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.706 -18.145 -11.366 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.528 -18.006 -12.871 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.108 -19.185 -11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.454 -20.356 -13.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.839 -20.818 -13.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.208 -19.583 -14.472 1.00 0.00 H new ATOM 584 N VAL A 37 -2.212 -20.726 -7.622 1.00 0.00 N ATOM 585 CA VAL A 37 -3.560 -20.758 -6.987 1.00 0.00 C ATOM 586 C VAL A 37 -4.192 -19.367 -7.058 1.00 0.00 C ATOM 587 O VAL A 37 -3.528 -18.363 -6.890 1.00 0.00 O ATOM 588 CB VAL A 37 -3.424 -21.181 -5.524 1.00 0.00 C ATOM 589 CG1 VAL A 37 -4.816 -21.338 -4.907 1.00 0.00 C ATOM 590 CG2 VAL A 37 -2.677 -22.514 -5.445 1.00 0.00 C ATOM 0 H VAL A 37 -1.563 -20.044 -7.230 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.193 -21.471 -7.515 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.867 -20.421 -4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.720 -21.640 -3.864 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.348 -20.388 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.373 -22.098 -5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.580 -22.815 -4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.232 -23.275 -5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.686 -22.402 -5.884 1.00 0.00 H new ATOM 600 N SER A 38 -5.472 -19.298 -7.308 1.00 0.00 N ATOM 601 CA SER A 38 -6.145 -17.971 -7.390 1.00 0.00 C ATOM 602 C SER A 38 -7.164 -17.846 -6.256 1.00 0.00 C ATOM 603 O SER A 38 -7.742 -18.820 -5.817 1.00 0.00 O ATOM 604 CB SER A 38 -6.861 -17.845 -8.736 1.00 0.00 C ATOM 605 OG SER A 38 -5.921 -18.008 -9.788 1.00 0.00 O ATOM 0 H SER A 38 -6.080 -20.103 -7.459 1.00 0.00 H new ATOM 0 HA SER A 38 -5.401 -17.179 -7.299 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.646 -18.598 -8.815 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.345 -16.871 -8.813 1.00 0.00 H new ATOM 0 HG SER A 38 -6.017 -17.273 -10.430 1.00 0.00 H new ATOM 611 N GLY A 39 -7.389 -16.653 -5.777 1.00 0.00 N ATOM 612 CA GLY A 39 -8.370 -16.467 -4.672 1.00 0.00 C ATOM 613 C GLY A 39 -7.636 -16.008 -3.410 1.00 0.00 C ATOM 614 O GLY A 39 -6.645 -15.308 -3.478 1.00 0.00 O ATOM 0 H GLY A 39 -6.936 -15.800 -6.103 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.120 -15.730 -4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.898 -17.401 -4.479 1.00 0.00 H new ATOM 618 N PRO A 40 -8.137 -16.415 -2.235 1.00 0.00 N ATOM 619 CA PRO A 40 -9.333 -17.261 -2.132 1.00 0.00 C ATOM 620 C PRO A 40 -10.605 -16.497 -2.512 1.00 0.00 C ATOM 621 O PRO A 40 -10.709 -15.304 -2.303 1.00 0.00 O ATOM 622 CB PRO A 40 -9.376 -17.641 -0.652 1.00 0.00 C ATOM 623 CG PRO A 40 -8.641 -16.543 0.040 1.00 0.00 C ATOM 624 CD PRO A 40 -7.575 -16.083 -0.915 1.00 0.00 C ATOM 0 HA PRO A 40 -9.287 -18.117 -2.805 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.402 -17.719 -0.292 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.902 -18.607 -0.477 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.314 -15.725 0.295 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.201 -16.897 0.973 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.381 -15.015 -0.817 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.629 -16.596 -0.740 1.00 0.00 H new ATOM 632 N ILE A 41 -11.573 -17.173 -3.066 1.00 0.00 N ATOM 633 CA ILE A 41 -12.836 -16.483 -3.457 1.00 0.00 C ATOM 634 C ILE A 41 -13.892 -16.703 -2.372 1.00 0.00 C ATOM 635 O ILE A 41 -14.219 -17.822 -2.029 1.00 0.00 O ATOM 636 CB ILE A 41 -13.339 -17.056 -4.783 1.00 0.00 C ATOM 637 CG1 ILE A 41 -12.220 -16.996 -5.823 1.00 0.00 C ATOM 638 CG2 ILE A 41 -14.533 -16.234 -5.271 1.00 0.00 C ATOM 639 CD1 ILE A 41 -12.029 -18.379 -6.449 1.00 0.00 C ATOM 0 H ILE A 41 -11.545 -18.173 -3.265 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.649 -15.415 -3.571 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.644 -18.092 -4.639 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.466 -16.267 -6.595 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.292 -16.666 -5.356 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.893 -16.641 -6.216 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -15.331 -16.277 -4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.227 -15.198 -5.415 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.231 -18.336 -7.190 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.764 -19.096 -5.672 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.955 -18.691 -6.931 1.00 0.00 H new ATOM 651 N PRO A 42 -14.431 -15.606 -1.820 1.00 0.00 N ATOM 652 CA PRO A 42 -15.453 -15.668 -0.767 1.00 0.00 C ATOM 653 C PRO A 42 -16.802 -16.147 -1.310 1.00 0.00 C ATOM 654 O PRO A 42 -17.211 -15.784 -2.395 1.00 0.00 O ATOM 655 CB PRO A 42 -15.567 -14.220 -0.292 1.00 0.00 C ATOM 656 CG PRO A 42 -15.120 -13.402 -1.457 1.00 0.00 C ATOM 657 CD PRO A 42 -14.086 -14.219 -2.180 1.00 0.00 C ATOM 0 HA PRO A 42 -15.183 -16.370 0.022 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.590 -13.976 -0.007 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.941 -14.040 0.582 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.959 -13.170 -2.113 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.702 -12.451 -1.126 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -14.131 -14.061 -3.258 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.076 -13.961 -1.862 1.00 0.00 H new ATOM 665 N LEU A 43 -17.498 -16.961 -0.563 1.00 0.00 N ATOM 666 CA LEU A 43 -18.819 -17.462 -1.035 1.00 0.00 C ATOM 667 C LEU A 43 -19.907 -17.041 -0.042 1.00 0.00 C ATOM 668 O LEU A 43 -19.626 -16.455 0.983 1.00 0.00 O ATOM 669 CB LEU A 43 -18.778 -18.988 -1.133 1.00 0.00 C ATOM 670 CG LEU A 43 -18.877 -19.407 -2.602 1.00 0.00 C ATOM 671 CD1 LEU A 43 -17.475 -19.695 -3.145 1.00 0.00 C ATOM 672 CD2 LEU A 43 -19.738 -20.666 -2.718 1.00 0.00 C ATOM 0 H LEU A 43 -17.208 -17.300 0.354 1.00 0.00 H new ATOM 0 HA LEU A 43 -19.040 -17.041 -2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.853 -19.367 -0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.600 -19.422 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 43 -19.333 -18.602 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.544 -19.994 -4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -16.862 -18.798 -3.064 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -17.019 -20.499 -2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -19.808 -20.964 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -19.284 -21.472 -2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -20.736 -20.461 -2.332 1.00 0.00 H new ATOM 684 N PRO A 44 -21.174 -17.348 -0.359 1.00 0.00 N ATOM 685 CA PRO A 44 -22.311 -17.000 0.504 1.00 0.00 C ATOM 686 C PRO A 44 -22.317 -17.827 1.794 1.00 0.00 C ATOM 687 O PRO A 44 -21.993 -18.998 1.794 1.00 0.00 O ATOM 688 CB PRO A 44 -23.530 -17.350 -0.349 1.00 0.00 C ATOM 689 CG PRO A 44 -23.038 -18.390 -1.299 1.00 0.00 C ATOM 690 CD PRO A 44 -21.601 -18.056 -1.580 1.00 0.00 C ATOM 0 HA PRO A 44 -22.282 -15.957 0.819 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.348 -17.728 0.264 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.907 -16.475 -0.879 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -23.128 -19.386 -0.866 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.625 -18.387 -2.217 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -21.006 -18.952 -1.754 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.499 -17.429 -2.466 1.00 0.00 H new ATOM 698 N THR A 45 -22.679 -17.223 2.893 1.00 0.00 N ATOM 699 CA THR A 45 -22.703 -17.973 4.181 1.00 0.00 C ATOM 700 C THR A 45 -24.148 -18.313 4.550 1.00 0.00 C ATOM 701 O THR A 45 -25.084 -17.742 4.027 1.00 0.00 O ATOM 702 CB THR A 45 -22.085 -17.108 5.283 1.00 0.00 C ATOM 703 OG1 THR A 45 -22.998 -16.082 5.645 1.00 0.00 O ATOM 704 CG2 THR A 45 -20.786 -16.482 4.775 1.00 0.00 C ATOM 0 H THR A 45 -22.959 -16.244 2.955 1.00 0.00 H new ATOM 0 HA THR A 45 -22.131 -18.895 4.075 1.00 0.00 H new ATOM 0 HB THR A 45 -21.870 -17.727 6.154 1.00 0.00 H new ATOM 0 HG1 THR A 45 -22.605 -15.528 6.352 1.00 0.00 H new ATOM 0 HG21 THR A 45 -20.347 -15.867 5.560 1.00 0.00 H new ATOM 0 HG22 THR A 45 -20.086 -17.270 4.498 1.00 0.00 H new ATOM 0 HG23 THR A 45 -20.997 -15.862 3.904 1.00 0.00 H new ATOM 762 N VAL A 49 -22.445 -20.079 9.126 1.00 0.00 N ATOM 763 CA VAL A 49 -21.363 -20.903 8.517 1.00 0.00 C ATOM 764 C VAL A 49 -20.794 -20.176 7.298 1.00 0.00 C ATOM 765 O VAL A 49 -21.518 -19.777 6.407 1.00 0.00 O ATOM 766 CB VAL A 49 -21.934 -22.255 8.083 1.00 0.00 C ATOM 767 CG1 VAL A 49 -20.807 -23.133 7.536 1.00 0.00 C ATOM 768 CG2 VAL A 49 -22.580 -22.944 9.286 1.00 0.00 C ATOM 0 HA VAL A 49 -20.571 -21.061 9.249 1.00 0.00 H new ATOM 0 HB VAL A 49 -22.683 -22.101 7.306 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -21.213 -24.096 7.227 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -20.346 -22.642 6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -20.057 -23.288 8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -22.987 -23.907 8.978 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -21.831 -23.098 10.063 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -23.383 -22.318 9.676 1.00 0.00 H new ATOM 778 N HIS A 50 -19.502 -20.000 7.249 1.00 0.00 N ATOM 779 CA HIS A 50 -18.889 -19.300 6.086 1.00 0.00 C ATOM 780 C HIS A 50 -18.181 -20.317 5.191 1.00 0.00 C ATOM 781 O HIS A 50 -17.692 -21.330 5.651 1.00 0.00 O ATOM 782 CB HIS A 50 -17.876 -18.270 6.588 1.00 0.00 C ATOM 783 CG HIS A 50 -18.552 -17.329 7.547 1.00 0.00 C ATOM 784 ND1 HIS A 50 -19.189 -16.128 7.358 1.00 0.00 N flip ATOM 785 CD2 HIS A 50 -18.630 -17.589 8.907 1.00 0.00 C flip ATOM 786 CE1 HIS A 50 -19.655 -15.647 8.578 1.00 0.00 C flip ATOM 787 NE2 HIS A 50 -19.291 -16.565 9.478 1.00 0.00 N flip ATOM 0 H HIS A 50 -18.845 -20.311 7.964 1.00 0.00 H new ATOM 0 HA HIS A 50 -19.668 -18.796 5.514 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -17.044 -18.773 7.081 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -17.460 -17.714 5.748 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -18.233 -18.455 9.415 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -20.195 -14.729 8.758 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -19.490 -16.498 10.476 1.00 0.00 H new ATOM 795 N LYS A 51 -18.121 -20.057 3.914 1.00 0.00 N ATOM 796 CA LYS A 51 -17.444 -21.010 2.990 1.00 0.00 C ATOM 797 C LYS A 51 -16.546 -20.234 2.024 1.00 0.00 C ATOM 798 O LYS A 51 -16.895 -19.167 1.558 1.00 0.00 O ATOM 799 CB LYS A 51 -18.497 -21.786 2.196 1.00 0.00 C ATOM 800 CG LYS A 51 -19.384 -22.576 3.161 1.00 0.00 C ATOM 801 CD LYS A 51 -20.276 -23.532 2.366 1.00 0.00 C ATOM 802 CE LYS A 51 -21.158 -22.728 1.410 1.00 0.00 C ATOM 803 NZ LYS A 51 -21.835 -21.633 2.161 1.00 0.00 N ATOM 0 H LYS A 51 -18.512 -19.226 3.470 1.00 0.00 H new ATOM 0 HA LYS A 51 -16.838 -21.708 3.568 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.104 -21.098 1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.012 -22.464 1.494 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -18.767 -23.136 3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -19.997 -21.894 3.750 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.663 -24.238 1.806 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -20.896 -24.117 3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -20.554 -22.311 0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.900 -23.379 0.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -22.830 -21.572 1.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -21.790 -21.832 3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.358 -20.730 1.963 1.00 0.00 H new ATOM 817 N ARG A 52 -15.391 -20.762 1.721 1.00 0.00 N ATOM 818 CA ARG A 52 -14.472 -20.056 0.786 1.00 0.00 C ATOM 819 C ARG A 52 -14.146 -20.971 -0.396 1.00 0.00 C ATOM 820 O ARG A 52 -14.135 -22.180 -0.272 1.00 0.00 O ATOM 821 CB ARG A 52 -13.180 -19.691 1.520 1.00 0.00 C ATOM 822 CG ARG A 52 -13.483 -18.650 2.599 1.00 0.00 C ATOM 823 CD ARG A 52 -12.187 -18.267 3.316 1.00 0.00 C ATOM 824 NE ARG A 52 -12.509 -17.466 4.532 1.00 0.00 N ATOM 825 CZ ARG A 52 -13.295 -16.429 4.439 1.00 0.00 C ATOM 826 NH1 ARG A 52 -13.138 -15.576 3.463 1.00 0.00 N ATOM 827 NH2 ARG A 52 -14.237 -16.243 5.323 1.00 0.00 N ATOM 0 H ARG A 52 -15.045 -21.651 2.081 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.952 -19.148 0.421 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.742 -20.581 1.971 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.448 -19.297 0.815 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -13.937 -17.767 2.150 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.202 -19.050 3.314 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.634 -19.164 3.594 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.546 -17.692 2.648 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.115 -17.729 5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.401 -15.720 2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.753 -14.765 3.390 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.359 -16.908 6.086 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.852 -15.432 5.250 1.00 0.00 H new ATOM 841 N LEU A 53 -13.882 -20.406 -1.542 1.00 0.00 N ATOM 842 CA LEU A 53 -13.558 -21.246 -2.729 1.00 0.00 C ATOM 843 C LEU A 53 -12.178 -20.862 -3.266 1.00 0.00 C ATOM 844 O LEU A 53 -11.905 -19.708 -3.532 1.00 0.00 O ATOM 845 CB LEU A 53 -14.609 -21.020 -3.816 1.00 0.00 C ATOM 846 CG LEU A 53 -14.320 -21.942 -5.004 1.00 0.00 C ATOM 847 CD1 LEU A 53 -14.678 -23.382 -4.629 1.00 0.00 C ATOM 848 CD2 LEU A 53 -15.159 -21.504 -6.205 1.00 0.00 C ATOM 0 H LEU A 53 -13.877 -19.400 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.555 -22.297 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.605 -21.219 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.596 -19.979 -4.138 1.00 0.00 H new ATOM 0 HG LEU A 53 -13.262 -21.885 -5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.473 -24.040 -5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -14.080 -23.694 -3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -15.736 -23.439 -4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -14.954 -22.160 -7.051 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.217 -21.561 -5.950 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.905 -20.478 -6.471 1.00 0.00 H new ATOM 860 N ILE A 54 -11.305 -21.818 -3.426 1.00 0.00 N ATOM 861 CA ILE A 54 -9.945 -21.507 -3.945 1.00 0.00 C ATOM 862 C ILE A 54 -9.770 -22.134 -5.329 1.00 0.00 C ATOM 863 O ILE A 54 -10.018 -23.308 -5.525 1.00 0.00 O ATOM 864 CB ILE A 54 -8.892 -22.073 -2.991 1.00 0.00 C ATOM 865 CG1 ILE A 54 -9.126 -21.518 -1.584 1.00 0.00 C ATOM 866 CG2 ILE A 54 -7.497 -21.671 -3.472 1.00 0.00 C ATOM 867 CD1 ILE A 54 -8.152 -22.181 -0.606 1.00 0.00 C ATOM 0 H ILE A 54 -11.476 -22.802 -3.219 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.824 -20.426 -4.019 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.969 -23.160 -2.970 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.984 -20.437 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.154 -21.706 -1.274 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.747 -22.075 -2.792 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.329 -22.067 -4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.419 -20.584 -3.494 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.318 -21.786 0.396 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.316 -23.259 -0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.128 -21.971 -0.914 1.00 0.00 H new ATOM 879 N ASP A 55 -9.343 -21.363 -6.291 1.00 0.00 N ATOM 880 CA ASP A 55 -9.153 -21.916 -7.661 1.00 0.00 C ATOM 881 C ASP A 55 -7.679 -22.270 -7.868 1.00 0.00 C ATOM 882 O ASP A 55 -6.796 -21.615 -7.351 1.00 0.00 O ATOM 883 CB ASP A 55 -9.579 -20.875 -8.696 1.00 0.00 C ATOM 884 CG ASP A 55 -11.084 -20.626 -8.582 1.00 0.00 C ATOM 885 OD1 ASP A 55 -11.742 -21.397 -7.903 1.00 0.00 O ATOM 886 OD2 ASP A 55 -11.553 -19.669 -9.175 1.00 0.00 O ATOM 0 H ASP A 55 -9.117 -20.374 -6.187 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.762 -22.813 -7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.033 -19.945 -8.538 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.332 -21.222 -9.699 1.00 0.00 H new ATOM 891 N ILE A 56 -7.406 -23.299 -8.621 1.00 0.00 N ATOM 892 CA ILE A 56 -5.989 -23.692 -8.861 1.00 0.00 C ATOM 893 C ILE A 56 -5.692 -23.637 -10.361 1.00 0.00 C ATOM 894 O ILE A 56 -6.458 -24.118 -11.173 1.00 0.00 O ATOM 895 CB ILE A 56 -5.760 -25.115 -8.348 1.00 0.00 C ATOM 896 CG1 ILE A 56 -6.099 -25.181 -6.856 1.00 0.00 C ATOM 897 CG2 ILE A 56 -4.294 -25.501 -8.554 1.00 0.00 C ATOM 898 CD1 ILE A 56 -5.918 -26.615 -6.357 1.00 0.00 C ATOM 0 H ILE A 56 -8.103 -23.885 -9.081 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.327 -23.005 -8.334 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.399 -25.806 -8.897 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.454 -24.505 -6.295 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.125 -24.853 -6.690 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.130 -26.515 -8.189 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.051 -25.454 -9.616 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.655 -24.810 -8.005 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.159 -26.664 -5.295 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.582 -27.279 -6.911 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -4.884 -26.925 -6.509 1.00 0.00 H new ATOM 910 N ILE A 57 -4.587 -23.054 -10.735 1.00 0.00 N ATOM 911 CA ILE A 57 -4.242 -22.968 -12.183 1.00 0.00 C ATOM 912 C ILE A 57 -3.031 -23.857 -12.473 1.00 0.00 C ATOM 913 O ILE A 57 -2.073 -23.880 -11.726 1.00 0.00 O ATOM 914 CB ILE A 57 -3.911 -21.518 -12.543 1.00 0.00 C ATOM 915 CG1 ILE A 57 -5.085 -20.615 -12.160 1.00 0.00 C ATOM 916 CG2 ILE A 57 -3.657 -21.414 -14.049 1.00 0.00 C ATOM 917 CD1 ILE A 57 -4.699 -19.153 -12.390 1.00 0.00 C ATOM 0 H ILE A 57 -3.908 -22.633 -10.101 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.090 -23.305 -12.780 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.020 -21.203 -12.000 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.962 -20.869 -12.755 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.353 -20.772 -11.115 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.421 -20.382 -14.308 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.820 -22.057 -14.322 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -4.549 -21.729 -14.591 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.535 -18.509 -12.117 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.834 -18.904 -11.776 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.453 -19.003 -13.441 1.00 0.00 H new ATOM 929 N ASP A 58 -3.066 -24.589 -13.553 1.00 0.00 N ATOM 930 CA ASP A 58 -1.917 -25.475 -13.889 1.00 0.00 C ATOM 931 C ASP A 58 -1.502 -26.266 -12.647 1.00 0.00 C ATOM 932 O ASP A 58 -0.381 -26.175 -12.187 1.00 0.00 O ATOM 933 CB ASP A 58 -0.740 -24.623 -14.368 1.00 0.00 C ATOM 934 CG ASP A 58 0.057 -25.398 -15.420 1.00 0.00 C ATOM 935 OD1 ASP A 58 -0.352 -26.500 -15.751 1.00 0.00 O ATOM 936 OD2 ASP A 58 1.060 -24.877 -15.878 1.00 0.00 O ATOM 0 H ASP A 58 -3.840 -24.611 -14.216 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.210 -26.167 -14.679 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.104 -23.686 -14.789 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.097 -24.366 -13.526 1.00 0.00 H new ATOM 941 N PRO A 59 -2.432 -27.060 -12.095 1.00 0.00 N ATOM 942 CA PRO A 59 -2.174 -27.876 -10.902 1.00 0.00 C ATOM 943 C PRO A 59 -1.219 -29.036 -11.201 1.00 0.00 C ATOM 944 O PRO A 59 -1.248 -29.619 -12.266 1.00 0.00 O ATOM 945 CB PRO A 59 -3.554 -28.418 -10.534 1.00 0.00 C ATOM 946 CG PRO A 59 -4.318 -28.404 -11.815 1.00 0.00 C ATOM 947 CD PRO A 59 -3.808 -27.224 -12.594 1.00 0.00 C ATOM 0 HA PRO A 59 -1.701 -27.299 -10.107 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.488 -29.425 -10.123 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.035 -27.797 -9.779 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.167 -29.331 -12.369 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.388 -28.315 -11.629 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -3.827 -27.412 -13.668 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.410 -26.333 -12.415 1.00 0.00 H new ATOM 955 N SER A 60 -0.373 -29.375 -10.267 1.00 0.00 N ATOM 956 CA SER A 60 0.582 -30.495 -10.496 1.00 0.00 C ATOM 957 C SER A 60 0.378 -31.566 -9.421 1.00 0.00 C ATOM 958 O SER A 60 -0.297 -31.346 -8.434 1.00 0.00 O ATOM 959 CB SER A 60 2.016 -29.968 -10.424 1.00 0.00 C ATOM 960 OG SER A 60 1.993 -28.556 -10.285 1.00 0.00 O ATOM 0 H SER A 60 -0.302 -28.924 -9.355 1.00 0.00 H new ATOM 0 HA SER A 60 0.404 -30.928 -11.480 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.539 -30.419 -9.581 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.563 -30.247 -11.324 1.00 0.00 H new ATOM 0 HG SER A 60 2.911 -28.217 -10.237 1.00 0.00 H new ATOM 966 N PRO A 61 0.979 -32.748 -9.620 1.00 0.00 N ATOM 967 CA PRO A 61 0.870 -33.864 -8.671 1.00 0.00 C ATOM 968 C PRO A 61 1.576 -33.552 -7.350 1.00 0.00 C ATOM 969 O PRO A 61 1.231 -34.079 -6.311 1.00 0.00 O ATOM 970 CB PRO A 61 1.574 -35.015 -9.389 1.00 0.00 C ATOM 971 CG PRO A 61 2.513 -34.345 -10.334 1.00 0.00 C ATOM 972 CD PRO A 61 1.818 -33.090 -10.781 1.00 0.00 C ATOM 0 HA PRO A 61 -0.165 -34.083 -8.409 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.107 -35.655 -8.686 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.862 -35.648 -9.919 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.460 -34.115 -9.846 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.740 -34.990 -11.183 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.528 -32.296 -11.015 1.00 0.00 H new ATOM 0 HD3 PRO A 61 1.220 -33.256 -11.677 1.00 0.00 H new ATOM 980 N LYS A 62 2.559 -32.694 -7.381 1.00 0.00 N ATOM 981 CA LYS A 62 3.279 -32.345 -6.126 1.00 0.00 C ATOM 982 C LYS A 62 2.328 -31.592 -5.194 1.00 0.00 C ATOM 983 O LYS A 62 2.488 -31.598 -3.990 1.00 0.00 O ATOM 984 CB LYS A 62 4.480 -31.457 -6.457 1.00 0.00 C ATOM 985 CG LYS A 62 5.329 -31.259 -5.199 1.00 0.00 C ATOM 986 CD LYS A 62 6.477 -30.295 -5.507 1.00 0.00 C ATOM 987 CE LYS A 62 7.399 -30.195 -4.289 1.00 0.00 C ATOM 988 NZ LYS A 62 6.681 -29.508 -3.178 1.00 0.00 N ATOM 0 H LYS A 62 2.893 -32.221 -8.220 1.00 0.00 H new ATOM 0 HA LYS A 62 3.627 -33.255 -5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.079 -31.915 -7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.140 -30.493 -6.835 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.714 -30.863 -4.391 1.00 0.00 H new ATOM 0 HG3 LYS A 62 5.725 -32.216 -4.859 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.038 -30.645 -6.373 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.082 -29.311 -5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.712 -31.190 -3.974 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.303 -29.644 -4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.363 -29.228 -2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.201 -28.662 -3.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.977 -30.154 -2.767 1.00 0.00 H new ATOM 1002 N THR A 63 1.333 -30.947 -5.743 1.00 0.00 N ATOM 1003 CA THR A 63 0.370 -30.199 -4.888 1.00 0.00 C ATOM 1004 C THR A 63 -0.483 -31.196 -4.102 1.00 0.00 C ATOM 1005 O THR A 63 -0.790 -30.989 -2.945 1.00 0.00 O ATOM 1006 CB THR A 63 -0.534 -29.336 -5.771 1.00 0.00 C ATOM 1007 OG1 THR A 63 0.267 -28.489 -6.581 1.00 0.00 O ATOM 1008 CG2 THR A 63 -1.449 -28.486 -4.888 1.00 0.00 C ATOM 0 H THR A 63 1.147 -30.907 -6.745 1.00 0.00 H new ATOM 0 HA THR A 63 0.915 -29.558 -4.196 1.00 0.00 H new ATOM 0 HB THR A 63 -1.142 -29.978 -6.408 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.234 -27.675 -6.798 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.093 -27.871 -5.517 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.063 -29.138 -4.267 1.00 0.00 H new ATOM 0 HG23 THR A 63 -0.843 -27.842 -4.250 1.00 0.00 H new ATOM 1016 N ILE A 64 -0.867 -32.278 -4.722 1.00 0.00 N ATOM 1017 CA ILE A 64 -1.697 -33.290 -4.011 1.00 0.00 C ATOM 1018 C ILE A 64 -0.870 -33.929 -2.893 1.00 0.00 C ATOM 1019 O ILE A 64 -1.345 -34.129 -1.794 1.00 0.00 O ATOM 1020 CB ILE A 64 -2.141 -34.371 -4.999 1.00 0.00 C ATOM 1021 CG1 ILE A 64 -2.949 -33.732 -6.129 1.00 0.00 C ATOM 1022 CG2 ILE A 64 -3.008 -35.400 -4.271 1.00 0.00 C ATOM 1023 CD1 ILE A 64 -3.221 -34.774 -7.215 1.00 0.00 C ATOM 0 H ILE A 64 -0.642 -32.505 -5.691 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.576 -32.806 -3.584 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.263 -34.864 -5.416 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.890 -33.341 -5.741 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.402 -32.888 -6.549 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.325 -36.171 -4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.432 -35.857 -3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.886 -34.906 -3.854 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.797 -34.318 -8.020 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.275 -35.144 -7.610 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.786 -35.604 -6.790 1.00 0.00 H new ATOM 1035 N ASP A 65 0.366 -34.247 -3.166 1.00 0.00 N ATOM 1036 CA ASP A 65 1.222 -34.870 -2.118 1.00 0.00 C ATOM 1037 C ASP A 65 1.271 -33.954 -0.894 1.00 0.00 C ATOM 1038 O ASP A 65 1.158 -34.399 0.231 1.00 0.00 O ATOM 1039 CB ASP A 65 2.636 -35.068 -2.667 1.00 0.00 C ATOM 1040 CG ASP A 65 2.608 -36.109 -3.787 1.00 0.00 C ATOM 1041 OD1 ASP A 65 1.592 -36.770 -3.929 1.00 0.00 O ATOM 1042 OD2 ASP A 65 3.602 -36.227 -4.486 1.00 0.00 O ATOM 0 H ASP A 65 0.819 -34.102 -4.068 1.00 0.00 H new ATOM 0 HA ASP A 65 0.806 -35.836 -1.833 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.027 -34.123 -3.044 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.305 -35.394 -1.870 1.00 0.00 H new ATOM 1047 N ALA A 66 1.439 -32.677 -1.104 1.00 0.00 N ATOM 1048 CA ALA A 66 1.494 -31.735 0.050 1.00 0.00 C ATOM 1049 C ALA A 66 0.160 -31.769 0.798 1.00 0.00 C ATOM 1050 O ALA A 66 0.115 -31.691 2.010 1.00 0.00 O ATOM 1051 CB ALA A 66 1.757 -30.317 -0.462 1.00 0.00 C ATOM 0 H ALA A 66 1.540 -32.246 -2.023 1.00 0.00 H new ATOM 0 HA ALA A 66 2.297 -32.032 0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.797 -29.627 0.381 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.707 -30.293 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.954 -30.019 -1.136 1.00 0.00 H new ATOM 1057 N LEU A 67 -0.929 -31.886 0.087 1.00 0.00 N ATOM 1058 CA LEU A 67 -2.258 -31.925 0.758 1.00 0.00 C ATOM 1059 C LEU A 67 -2.358 -33.188 1.616 1.00 0.00 C ATOM 1060 O LEU A 67 -2.876 -33.164 2.715 1.00 0.00 O ATOM 1061 CB LEU A 67 -3.365 -31.937 -0.298 1.00 0.00 C ATOM 1062 CG LEU A 67 -4.729 -31.913 0.393 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -4.994 -30.514 0.952 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -5.820 -32.273 -0.619 1.00 0.00 C ATOM 0 H LEU A 67 -0.955 -31.956 -0.930 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.371 -31.045 1.391 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.264 -31.074 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.277 -32.826 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.736 -32.637 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.966 -30.497 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.218 -30.257 1.673 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.987 -29.789 0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.793 -32.256 -0.127 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.813 -31.550 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.632 -33.270 -1.017 1.00 0.00 H new ATOM 1076 N MET A 68 -1.867 -34.292 1.123 1.00 0.00 N ATOM 1077 CA MET A 68 -1.934 -35.555 1.912 1.00 0.00 C ATOM 1078 C MET A 68 -1.012 -35.445 3.129 1.00 0.00 C ATOM 1079 O MET A 68 -1.257 -36.039 4.160 1.00 0.00 O ATOM 1080 CB MET A 68 -1.488 -36.728 1.038 1.00 0.00 C ATOM 1081 CG MET A 68 -2.558 -37.015 -0.018 1.00 0.00 C ATOM 1082 SD MET A 68 -2.097 -38.491 -0.958 1.00 0.00 S ATOM 1083 CE MET A 68 -0.498 -37.890 -1.554 1.00 0.00 C ATOM 0 H MET A 68 -1.423 -34.374 0.209 1.00 0.00 H new ATOM 0 HA MET A 68 -2.958 -35.721 2.246 1.00 0.00 H new ATOM 0 HB2 MET A 68 -0.539 -36.495 0.555 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.324 -37.612 1.654 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.526 -37.163 0.461 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.661 -36.161 -0.688 1.00 0.00 H new ATOM 0 HE1 MET A 68 -0.151 -38.526 -2.368 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.605 -36.867 -1.913 1.00 0.00 H new ATOM 0 HE3 MET A 68 0.226 -37.915 -0.740 1.00 0.00 H new ATOM 1093 N ARG A 69 0.045 -34.689 3.016 1.00 0.00 N ATOM 1094 CA ARG A 69 0.980 -34.541 4.166 1.00 0.00 C ATOM 1095 C ARG A 69 0.357 -33.616 5.215 1.00 0.00 C ATOM 1096 O ARG A 69 0.617 -33.736 6.395 1.00 0.00 O ATOM 1097 CB ARG A 69 2.301 -33.941 3.677 1.00 0.00 C ATOM 1098 CG ARG A 69 2.994 -34.933 2.740 1.00 0.00 C ATOM 1099 CD ARG A 69 4.361 -34.380 2.334 1.00 0.00 C ATOM 1100 NE ARG A 69 5.263 -34.363 3.519 1.00 0.00 N ATOM 1101 CZ ARG A 69 6.334 -35.108 3.535 1.00 0.00 C ATOM 1102 NH1 ARG A 69 6.235 -36.387 3.769 1.00 0.00 N ATOM 1103 NH2 ARG A 69 7.504 -34.573 3.318 1.00 0.00 N ATOM 0 H ARG A 69 0.301 -34.168 2.178 1.00 0.00 H new ATOM 0 HA ARG A 69 1.167 -35.519 4.609 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.116 -33.001 3.157 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.946 -33.714 4.526 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.112 -35.896 3.236 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.381 -35.103 1.855 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.793 -34.994 1.544 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.253 -33.373 1.932 1.00 0.00 H new ATOM 0 HE ARG A 69 5.043 -33.769 4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 69 5.320 -36.805 3.939 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.072 -36.969 3.781 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.581 -33.572 3.136 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.341 -35.155 3.331 1.00 0.00 H new ATOM 1117 N ILE A 70 -0.464 -32.694 4.791 1.00 0.00 N ATOM 1118 CA ILE A 70 -1.103 -31.763 5.764 1.00 0.00 C ATOM 1119 C ILE A 70 -2.602 -32.060 5.843 1.00 0.00 C ATOM 1120 O ILE A 70 -3.260 -32.256 4.842 1.00 0.00 O ATOM 1121 CB ILE A 70 -0.893 -30.321 5.302 1.00 0.00 C ATOM 1122 CG1 ILE A 70 0.604 -30.046 5.151 1.00 0.00 C ATOM 1123 CG2 ILE A 70 -1.486 -29.363 6.338 1.00 0.00 C ATOM 1124 CD1 ILE A 70 0.808 -28.665 4.524 1.00 0.00 C ATOM 0 H ILE A 70 -0.719 -32.545 3.815 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.653 -31.899 6.747 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.388 -30.171 4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.093 -30.091 6.124 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.064 -30.812 4.527 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.337 -28.334 6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.553 -29.558 6.446 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.991 -29.513 7.298 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.875 -28.468 4.416 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.333 -28.637 3.543 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.362 -27.905 5.165 1.00 0.00 H new ATOM 1136 N ASN A 71 -3.147 -32.094 7.029 1.00 0.00 N ATOM 1137 CA ASN A 71 -4.603 -32.379 7.172 1.00 0.00 C ATOM 1138 C ASN A 71 -5.339 -31.090 7.542 1.00 0.00 C ATOM 1139 O ASN A 71 -4.765 -30.170 8.090 1.00 0.00 O ATOM 1140 CB ASN A 71 -4.813 -33.421 8.272 1.00 0.00 C ATOM 1141 CG ASN A 71 -4.511 -32.793 9.634 1.00 0.00 C ATOM 1142 OD1 ASN A 71 -3.925 -31.732 9.711 1.00 0.00 O ATOM 1143 ND2 ASN A 71 -4.888 -33.409 10.722 1.00 0.00 N ATOM 0 H ASN A 71 -2.647 -31.937 7.904 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.993 -32.763 6.230 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -5.839 -33.788 8.249 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.163 -34.280 8.103 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -4.690 -32.999 11.635 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.380 -34.300 10.659 1.00 0.00 H new ATOM 1150 N LEU A 72 -6.609 -31.016 7.247 1.00 0.00 N ATOM 1151 CA LEU A 72 -7.382 -29.787 7.582 1.00 0.00 C ATOM 1152 C LEU A 72 -7.560 -29.693 9.098 1.00 0.00 C ATOM 1153 O LEU A 72 -7.796 -30.680 9.766 1.00 0.00 O ATOM 1154 CB LEU A 72 -8.755 -29.851 6.910 1.00 0.00 C ATOM 1155 CG LEU A 72 -9.580 -30.973 7.543 1.00 0.00 C ATOM 1156 CD1 LEU A 72 -10.748 -30.370 8.326 1.00 0.00 C ATOM 1157 CD2 LEU A 72 -10.122 -31.890 6.444 1.00 0.00 C ATOM 0 H LEU A 72 -7.144 -31.754 6.789 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.843 -28.910 7.225 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.271 -28.898 7.022 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.641 -30.028 5.841 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.949 -31.550 8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.335 -31.170 8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -10.363 -29.717 9.109 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.379 -29.793 7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.710 -32.690 6.895 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.752 -31.313 5.767 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.290 -32.321 5.887 1.00 0.00 H new ATOM 1169 N PRO A 73 -7.445 -28.475 9.647 1.00 0.00 N ATOM 1170 CA PRO A 73 -7.592 -28.237 11.088 1.00 0.00 C ATOM 1171 C PRO A 73 -9.042 -28.418 11.548 1.00 0.00 C ATOM 1172 O PRO A 73 -9.970 -28.267 10.779 1.00 0.00 O ATOM 1173 CB PRO A 73 -7.170 -26.778 11.255 1.00 0.00 C ATOM 1174 CG PRO A 73 -7.418 -26.159 9.921 1.00 0.00 C ATOM 1175 CD PRO A 73 -7.161 -27.235 8.904 1.00 0.00 C ATOM 0 HA PRO A 73 -7.001 -28.936 11.681 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -7.750 -26.284 12.035 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.121 -26.699 11.540 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.441 -25.790 9.847 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -6.759 -25.306 9.760 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.809 -27.130 8.034 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.133 -27.209 8.541 1.00 0.00 H new ATOM 1183 N ALA A 74 -9.242 -28.741 12.797 1.00 0.00 N ATOM 1184 CA ALA A 74 -10.631 -28.931 13.303 1.00 0.00 C ATOM 1185 C ALA A 74 -11.452 -27.670 13.025 1.00 0.00 C ATOM 1186 O ALA A 74 -10.928 -26.575 12.981 1.00 0.00 O ATOM 1187 CB ALA A 74 -10.593 -29.193 14.809 1.00 0.00 C ATOM 0 H ALA A 74 -8.505 -28.881 13.488 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.089 -29.781 12.798 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.608 -29.332 15.180 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.008 -30.091 15.007 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.135 -28.343 15.315 1.00 0.00 H new ATOM 1193 N GLY A 75 -12.735 -27.815 12.840 1.00 0.00 N ATOM 1194 CA GLY A 75 -13.587 -26.622 12.566 1.00 0.00 C ATOM 1195 C GLY A 75 -13.620 -26.349 11.061 1.00 0.00 C ATOM 1196 O GLY A 75 -14.146 -25.349 10.614 1.00 0.00 O ATOM 0 H GLY A 75 -13.230 -28.706 12.866 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.598 -26.792 12.937 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.195 -25.753 13.095 1.00 0.00 H new ATOM 1200 N VAL A 76 -13.063 -27.230 10.275 1.00 0.00 N ATOM 1201 CA VAL A 76 -13.064 -27.017 8.799 1.00 0.00 C ATOM 1202 C VAL A 76 -13.539 -28.292 8.100 1.00 0.00 C ATOM 1203 O VAL A 76 -13.310 -29.390 8.566 1.00 0.00 O ATOM 1204 CB VAL A 76 -11.647 -26.678 8.332 1.00 0.00 C ATOM 1205 CG1 VAL A 76 -11.660 -26.395 6.828 1.00 0.00 C ATOM 1206 CG2 VAL A 76 -11.146 -25.440 9.078 1.00 0.00 C ATOM 0 H VAL A 76 -12.608 -28.087 10.590 1.00 0.00 H new ATOM 0 HA VAL A 76 -13.735 -26.195 8.551 1.00 0.00 H new ATOM 0 HB VAL A 76 -10.986 -27.519 8.539 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -10.651 -26.153 6.495 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.017 -27.276 6.295 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -12.321 -25.554 6.622 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.136 -25.198 8.745 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -11.807 -24.598 8.872 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.137 -25.640 10.149 1.00 0.00 H new ATOM 1216 N ASP A 77 -14.200 -28.155 6.983 1.00 0.00 N ATOM 1217 CA ASP A 77 -14.688 -29.360 6.254 1.00 0.00 C ATOM 1218 C ASP A 77 -14.275 -29.266 4.784 1.00 0.00 C ATOM 1219 O ASP A 77 -14.008 -28.198 4.271 1.00 0.00 O ATOM 1220 CB ASP A 77 -16.213 -29.433 6.353 1.00 0.00 C ATOM 1221 CG ASP A 77 -16.697 -30.770 5.787 1.00 0.00 C ATOM 1222 OD1 ASP A 77 -15.858 -31.601 5.483 1.00 0.00 O ATOM 1223 OD2 ASP A 77 -17.899 -30.939 5.666 1.00 0.00 O ATOM 0 H ASP A 77 -14.423 -27.262 6.544 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.253 -30.256 6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -16.526 -29.331 7.392 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -16.664 -28.608 5.802 1.00 0.00 H new