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 -77:sc= 1.23 USER MOD Set 1.2: A 63 THR OG1 : rot -64:sc= 0.084 USER MOD Set 2.1: A 12 LYS NZ :NH3+ 161:sc= -0.131 (180deg=-0.484) USER MOD Set 2.2: A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.38) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= -0.012 (180deg=-0.012) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.343 K(o=-0.34,f=-2.3!) USER MOD Single : A 22 SER OG : rot -36:sc= 0.419 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00771) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 75:sc= 0.952 USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 35 SER OG : rot 36:sc= -0.64! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HE2:sc= -6.05! C(o=-6.1!,f=-7.1!) USER MOD Single : A 60 SER OG : rot 160:sc= -0.0705 USER MOD Single : A 62 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0904) USER MOD Single : A 68 MET CE :methyl -171:sc= -3.27! (180deg=-3.64!) USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 45 N GLN A 5 -6.676 -27.834 -16.908 1.00 0.00 N ATOM 46 CA GLN A 5 -7.947 -27.728 -16.137 1.00 0.00 C ATOM 47 C GLN A 5 -7.689 -26.983 -14.827 1.00 0.00 C ATOM 48 O GLN A 5 -6.586 -26.972 -14.315 1.00 0.00 O ATOM 49 CB GLN A 5 -8.477 -29.131 -15.832 1.00 0.00 C ATOM 50 CG GLN A 5 -8.649 -29.907 -17.140 1.00 0.00 C ATOM 51 CD GLN A 5 -9.651 -29.178 -18.037 1.00 0.00 C ATOM 52 OE1 GLN A 5 -10.725 -28.815 -17.598 1.00 0.00 O ATOM 53 NE2 GLN A 5 -9.345 -28.947 -19.284 1.00 0.00 N ATOM 0 HA GLN A 5 -8.684 -27.182 -16.725 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.786 -29.657 -15.173 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.430 -29.065 -15.308 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.690 -30.000 -17.649 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.999 -30.918 -16.932 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.444 -29.251 -19.653 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.007 -28.462 -19.890 1.00 0.00 H new ATOM 62 N LYS A 6 -8.696 -26.362 -14.278 1.00 0.00 N ATOM 63 CA LYS A 6 -8.506 -25.618 -13.001 1.00 0.00 C ATOM 64 C LYS A 6 -9.213 -26.363 -11.866 1.00 0.00 C ATOM 65 O LYS A 6 -10.263 -26.946 -12.053 1.00 0.00 O ATOM 66 CB LYS A 6 -9.101 -24.214 -13.134 1.00 0.00 C ATOM 67 CG LYS A 6 -8.331 -23.434 -14.203 1.00 0.00 C ATOM 68 CD LYS A 6 -8.845 -21.994 -14.249 1.00 0.00 C ATOM 69 CE LYS A 6 -8.178 -21.253 -15.411 1.00 0.00 C ATOM 70 NZ LYS A 6 -9.208 -20.482 -16.164 1.00 0.00 N ATOM 0 H LYS A 6 -9.642 -26.337 -14.658 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.441 -25.543 -12.781 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -10.155 -24.278 -13.404 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -9.047 -23.692 -12.178 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -7.264 -23.444 -13.979 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -8.457 -23.908 -15.176 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.928 -21.987 -14.372 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.628 -21.488 -13.308 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.408 -20.580 -15.033 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -7.683 -21.963 -16.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.756 -19.978 -16.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.927 -21.135 -16.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -9.660 -19.794 -15.528 1.00 0.00 H new ATOM 84 N ILE A 7 -8.647 -26.345 -10.691 1.00 0.00 N ATOM 85 CA ILE A 7 -9.288 -27.051 -9.544 1.00 0.00 C ATOM 86 C ILE A 7 -9.716 -26.026 -8.492 1.00 0.00 C ATOM 87 O ILE A 7 -8.987 -25.107 -8.174 1.00 0.00 O ATOM 88 CB ILE A 7 -8.289 -28.031 -8.925 1.00 0.00 C ATOM 89 CG1 ILE A 7 -7.835 -29.036 -9.984 1.00 0.00 C ATOM 90 CG2 ILE A 7 -8.959 -28.777 -7.769 1.00 0.00 C ATOM 91 CD1 ILE A 7 -6.790 -29.976 -9.380 1.00 0.00 C ATOM 0 H ILE A 7 -7.769 -25.873 -10.475 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.162 -27.599 -9.896 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.424 -27.482 -8.553 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.688 -29.609 -10.347 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.415 -28.511 -10.842 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.249 -29.476 -7.327 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -9.283 -28.061 -7.013 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.823 -29.326 -8.143 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.466 -30.693 -10.135 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.933 -29.396 -9.039 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.226 -30.510 -8.536 1.00 0.00 H new ATOM 103 N ARG A 8 -10.892 -26.176 -7.949 1.00 0.00 N ATOM 104 CA ARG A 8 -11.365 -25.210 -6.918 1.00 0.00 C ATOM 105 C ARG A 8 -11.709 -25.965 -5.632 1.00 0.00 C ATOM 106 O ARG A 8 -12.324 -27.013 -5.662 1.00 0.00 O ATOM 107 CB ARG A 8 -12.608 -24.482 -7.434 1.00 0.00 C ATOM 108 CG ARG A 8 -12.249 -23.689 -8.691 1.00 0.00 C ATOM 109 CD ARG A 8 -13.448 -22.840 -9.120 1.00 0.00 C ATOM 110 NE ARG A 8 -14.627 -23.723 -9.342 1.00 0.00 N ATOM 111 CZ ARG A 8 -15.736 -23.507 -8.691 1.00 0.00 C ATOM 112 NH1 ARG A 8 -16.460 -22.456 -8.965 1.00 0.00 N ATOM 113 NH2 ARG A 8 -16.123 -24.342 -7.765 1.00 0.00 N ATOM 0 H ARG A 8 -11.546 -26.926 -8.174 1.00 0.00 H new ATOM 0 HA ARG A 8 -10.579 -24.483 -6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -13.397 -25.200 -7.657 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.995 -23.812 -6.666 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.388 -23.049 -8.497 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -11.966 -24.369 -9.494 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -13.675 -22.098 -8.354 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -13.212 -22.294 -10.033 1.00 0.00 H new ATOM 0 HE ARG A 8 -14.567 -24.497 -10.004 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.158 -21.803 -9.689 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.327 -22.287 -8.456 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -15.558 -25.164 -7.551 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -16.991 -24.173 -7.256 1.00 0.00 H new ATOM 127 N ILE A 9 -11.317 -25.442 -4.502 1.00 0.00 N ATOM 128 CA ILE A 9 -11.621 -26.132 -3.216 1.00 0.00 C ATOM 129 C ILE A 9 -12.602 -25.287 -2.402 1.00 0.00 C ATOM 130 O ILE A 9 -12.433 -24.093 -2.251 1.00 0.00 O ATOM 131 CB ILE A 9 -10.327 -26.318 -2.420 1.00 0.00 C ATOM 132 CG1 ILE A 9 -9.339 -27.153 -3.238 1.00 0.00 C ATOM 133 CG2 ILE A 9 -10.637 -27.037 -1.107 1.00 0.00 C ATOM 134 CD1 ILE A 9 -7.994 -27.204 -2.513 1.00 0.00 C ATOM 0 H ILE A 9 -10.800 -24.567 -4.414 1.00 0.00 H new ATOM 0 HA ILE A 9 -12.065 -27.106 -3.423 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.888 -25.343 -2.207 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.727 -28.162 -3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.214 -26.719 -4.230 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.716 -27.170 -0.539 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.340 -26.443 -0.524 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.076 -28.012 -1.321 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -7.289 -27.798 -3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.605 -26.192 -2.396 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.127 -27.658 -1.531 1.00 0.00 H new ATOM 146 N LYS A 10 -13.626 -25.897 -1.871 1.00 0.00 N ATOM 147 CA LYS A 10 -14.615 -25.129 -1.065 1.00 0.00 C ATOM 148 C LYS A 10 -14.374 -25.391 0.423 1.00 0.00 C ATOM 149 O LYS A 10 -14.421 -26.515 0.881 1.00 0.00 O ATOM 150 CB LYS A 10 -16.031 -25.571 -1.436 1.00 0.00 C ATOM 151 CG LYS A 10 -17.039 -24.551 -0.901 1.00 0.00 C ATOM 152 CD LYS A 10 -18.448 -24.939 -1.354 1.00 0.00 C ATOM 153 CE LYS A 10 -19.430 -23.830 -0.968 1.00 0.00 C ATOM 154 NZ LYS A 10 -20.271 -23.481 -2.148 1.00 0.00 N ATOM 0 H LYS A 10 -13.820 -26.894 -1.961 1.00 0.00 H new ATOM 0 HA LYS A 10 -14.501 -24.065 -1.271 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.125 -25.658 -2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -16.237 -26.556 -1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.993 -24.515 0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -16.791 -23.554 -1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.465 -25.096 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.745 -25.880 -0.891 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -20.061 -24.159 -0.142 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.886 -22.951 -0.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -20.939 -22.728 -1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -19.661 -23.151 -2.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -20.800 -24.321 -2.458 1.00 0.00 H new ATOM 168 N LEU A 11 -14.116 -24.362 1.182 1.00 0.00 N ATOM 169 CA LEU A 11 -13.874 -24.552 2.640 1.00 0.00 C ATOM 170 C LEU A 11 -15.112 -24.112 3.424 1.00 0.00 C ATOM 171 O LEU A 11 -15.595 -23.009 3.268 1.00 0.00 O ATOM 172 CB LEU A 11 -12.672 -23.710 3.072 1.00 0.00 C ATOM 173 CG LEU A 11 -11.454 -24.083 2.225 1.00 0.00 C ATOM 174 CD1 LEU A 11 -10.221 -23.350 2.754 1.00 0.00 C ATOM 175 CD2 LEU A 11 -11.222 -25.594 2.302 1.00 0.00 C ATOM 0 H LEU A 11 -14.062 -23.397 0.855 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.671 -25.604 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.897 -22.650 2.956 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.459 -23.877 4.128 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.631 -23.795 1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.353 -23.616 2.151 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.386 -22.274 2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.044 -23.637 3.791 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.354 -25.860 1.699 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.046 -25.883 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.101 -26.117 1.924 1.00 0.00 H new ATOM 187 N LYS A 12 -15.628 -24.966 4.265 1.00 0.00 N ATOM 188 CA LYS A 12 -16.834 -24.594 5.057 1.00 0.00 C ATOM 189 C LYS A 12 -16.517 -24.708 6.551 1.00 0.00 C ATOM 190 O LYS A 12 -15.880 -25.645 6.989 1.00 0.00 O ATOM 191 CB LYS A 12 -17.986 -25.538 4.707 1.00 0.00 C ATOM 192 CG LYS A 12 -18.243 -25.493 3.199 1.00 0.00 C ATOM 193 CD LYS A 12 -19.450 -26.371 2.861 1.00 0.00 C ATOM 194 CE LYS A 12 -19.715 -26.318 1.355 1.00 0.00 C ATOM 195 NZ LYS A 12 -21.181 -26.197 1.114 1.00 0.00 N ATOM 0 H LYS A 12 -15.267 -25.904 4.438 1.00 0.00 H new ATOM 0 HA LYS A 12 -17.121 -23.569 4.823 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.743 -26.555 5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.886 -25.247 5.249 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.426 -24.467 2.881 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.363 -25.842 2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -19.264 -27.399 3.172 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -20.328 -26.027 3.408 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -19.191 -25.471 0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -19.329 -27.217 0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.346 -25.843 0.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -21.629 -27.129 1.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -21.592 -25.534 1.801 1.00 0.00 H new ATOM 209 N ALA A 13 -16.954 -23.760 7.336 1.00 0.00 N ATOM 210 CA ALA A 13 -16.677 -23.817 8.798 1.00 0.00 C ATOM 211 C ALA A 13 -17.519 -22.764 9.522 1.00 0.00 C ATOM 212 O ALA A 13 -17.779 -21.696 9.002 1.00 0.00 O ATOM 213 CB ALA A 13 -15.193 -23.537 9.047 1.00 0.00 C ATOM 0 H ALA A 13 -17.491 -22.949 7.027 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.931 -24.808 9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.989 -23.579 10.117 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.590 -24.286 8.534 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.941 -22.547 8.668 1.00 0.00 H new ATOM 219 N TYR A 14 -17.948 -23.056 10.719 1.00 0.00 N ATOM 220 CA TYR A 14 -18.772 -22.073 11.478 1.00 0.00 C ATOM 221 C TYR A 14 -18.064 -20.718 11.498 1.00 0.00 C ATOM 222 O TYR A 14 -18.637 -19.702 11.156 1.00 0.00 O ATOM 223 CB TYR A 14 -18.962 -22.568 12.913 1.00 0.00 C ATOM 224 CG TYR A 14 -20.131 -21.850 13.541 1.00 0.00 C ATOM 225 CD1 TYR A 14 -21.436 -22.145 13.131 1.00 0.00 C ATOM 226 CD2 TYR A 14 -19.910 -20.887 14.533 1.00 0.00 C ATOM 227 CE1 TYR A 14 -22.521 -21.479 13.712 1.00 0.00 C ATOM 228 CE2 TYR A 14 -20.995 -20.220 15.116 1.00 0.00 C ATOM 229 CZ TYR A 14 -22.300 -20.517 14.705 1.00 0.00 C ATOM 230 OH TYR A 14 -23.370 -19.860 15.278 1.00 0.00 O ATOM 0 H TYR A 14 -17.763 -23.934 11.205 1.00 0.00 H new ATOM 0 HA TYR A 14 -19.744 -21.967 10.996 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -19.137 -23.644 12.918 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -18.057 -22.389 13.494 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -21.606 -22.887 12.365 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -18.903 -20.658 14.849 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -23.528 -21.707 13.395 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -20.825 -19.477 15.882 1.00 0.00 H new ATOM 0 HH TYR A 14 -23.043 -19.226 15.950 1.00 0.00 H new ATOM 240 N ASP A 15 -16.823 -20.693 11.897 1.00 0.00 N ATOM 241 CA ASP A 15 -16.079 -19.401 11.941 1.00 0.00 C ATOM 242 C ASP A 15 -15.422 -19.143 10.585 1.00 0.00 C ATOM 243 O ASP A 15 -14.754 -19.996 10.035 1.00 0.00 O ATOM 244 CB ASP A 15 -15.003 -19.471 13.025 1.00 0.00 C ATOM 245 CG ASP A 15 -15.665 -19.624 14.395 1.00 0.00 C ATOM 246 OD1 ASP A 15 -16.857 -19.377 14.486 1.00 0.00 O ATOM 247 OD2 ASP A 15 -14.972 -19.985 15.330 1.00 0.00 O ATOM 0 H ASP A 15 -16.291 -21.511 12.195 1.00 0.00 H new ATOM 0 HA ASP A 15 -16.771 -18.590 12.167 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -14.336 -20.312 12.836 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -14.392 -18.569 13.004 1.00 0.00 H new ATOM 252 N HIS A 16 -15.607 -17.972 10.041 1.00 0.00 N ATOM 253 CA HIS A 16 -14.992 -17.658 8.720 1.00 0.00 C ATOM 254 C HIS A 16 -13.493 -17.416 8.902 1.00 0.00 C ATOM 255 O HIS A 16 -12.703 -17.652 8.008 1.00 0.00 O ATOM 256 CB HIS A 16 -15.645 -16.404 8.137 1.00 0.00 C ATOM 257 CG HIS A 16 -15.336 -15.223 9.014 1.00 0.00 C ATOM 258 ND1 HIS A 16 -16.021 -14.978 10.195 1.00 0.00 N ATOM 259 CD2 HIS A 16 -14.419 -14.208 8.896 1.00 0.00 C ATOM 260 CE1 HIS A 16 -15.510 -13.857 10.735 1.00 0.00 C ATOM 261 NE2 HIS A 16 -14.530 -13.346 9.983 1.00 0.00 N ATOM 0 H HIS A 16 -16.157 -17.219 10.454 1.00 0.00 H new ATOM 0 HA HIS A 16 -15.145 -18.495 8.039 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -15.277 -16.226 7.127 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -16.724 -16.543 8.064 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -13.718 -14.096 8.083 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.850 -13.423 11.663 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -13.982 -12.506 10.166 1.00 0.00 H new ATOM 269 N GLU A 17 -13.093 -16.947 10.051 1.00 0.00 N ATOM 270 CA GLU A 17 -11.644 -16.692 10.288 1.00 0.00 C ATOM 271 C GLU A 17 -10.870 -18.006 10.174 1.00 0.00 C ATOM 272 O GLU A 17 -9.768 -18.046 9.662 1.00 0.00 O ATOM 273 CB GLU A 17 -11.451 -16.105 11.688 1.00 0.00 C ATOM 274 CG GLU A 17 -12.290 -14.834 11.829 1.00 0.00 C ATOM 275 CD GLU A 17 -12.081 -14.237 13.223 1.00 0.00 C ATOM 276 OE1 GLU A 17 -11.551 -14.936 14.071 1.00 0.00 O ATOM 277 OE2 GLU A 17 -12.456 -13.093 13.418 1.00 0.00 O ATOM 0 H GLU A 17 -13.706 -16.729 10.836 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.273 -15.986 9.545 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.746 -16.834 12.443 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.398 -15.879 11.857 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.005 -14.110 11.065 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.344 -15.062 11.674 1.00 0.00 H new ATOM 284 N LEU A 18 -11.437 -19.082 10.646 1.00 0.00 N ATOM 285 CA LEU A 18 -10.733 -20.392 10.562 1.00 0.00 C ATOM 286 C LEU A 18 -10.557 -20.781 9.094 1.00 0.00 C ATOM 287 O LEU A 18 -9.559 -21.359 8.709 1.00 0.00 O ATOM 288 CB LEU A 18 -11.557 -21.462 11.279 1.00 0.00 C ATOM 289 CG LEU A 18 -11.778 -21.047 12.735 1.00 0.00 C ATOM 290 CD1 LEU A 18 -12.470 -22.183 13.491 1.00 0.00 C ATOM 291 CD2 LEU A 18 -10.427 -20.749 13.391 1.00 0.00 C ATOM 0 H LEU A 18 -12.357 -19.110 11.086 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.755 -20.310 11.036 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -12.516 -21.594 10.778 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.041 -22.421 11.238 1.00 0.00 H new ATOM 0 HG LEU A 18 -12.404 -20.155 12.767 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.627 -21.887 14.528 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -13.432 -22.397 13.025 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.845 -23.075 13.459 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.584 -20.453 14.428 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.802 -21.641 13.358 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.932 -19.940 12.854 1.00 0.00 H new ATOM 303 N LEU A 19 -11.520 -20.469 8.268 1.00 0.00 N ATOM 304 CA LEU A 19 -11.407 -20.821 6.825 1.00 0.00 C ATOM 305 C LEU A 19 -10.330 -19.953 6.173 1.00 0.00 C ATOM 306 O LEU A 19 -9.600 -20.396 5.309 1.00 0.00 O ATOM 307 CB LEU A 19 -12.749 -20.574 6.134 1.00 0.00 C ATOM 308 CG LEU A 19 -13.829 -21.430 6.797 1.00 0.00 C ATOM 309 CD1 LEU A 19 -15.152 -21.254 6.049 1.00 0.00 C ATOM 310 CD2 LEU A 19 -13.411 -22.901 6.754 1.00 0.00 C ATOM 0 H LEU A 19 -12.379 -19.986 8.531 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.136 -21.872 6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.015 -19.519 6.199 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.675 -20.819 5.074 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.954 -21.117 7.834 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.921 -21.864 6.522 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.451 -20.206 6.079 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -15.028 -21.566 5.012 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.180 -23.512 7.226 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.285 -23.213 5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -12.469 -23.027 7.288 1.00 0.00 H new ATOM 322 N ASP A 20 -10.223 -18.717 6.580 1.00 0.00 N ATOM 323 CA ASP A 20 -9.191 -17.823 5.985 1.00 0.00 C ATOM 324 C ASP A 20 -7.799 -18.324 6.372 1.00 0.00 C ATOM 325 O ASP A 20 -6.888 -18.339 5.570 1.00 0.00 O ATOM 326 CB ASP A 20 -9.385 -16.400 6.509 1.00 0.00 C ATOM 327 CG ASP A 20 -8.480 -15.442 5.731 1.00 0.00 C ATOM 328 OD1 ASP A 20 -7.861 -15.886 4.778 1.00 0.00 O ATOM 329 OD2 ASP A 20 -8.422 -14.282 6.101 1.00 0.00 O ATOM 0 H ASP A 20 -10.806 -18.289 7.299 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.290 -17.826 4.899 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -10.427 -16.100 6.401 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.149 -16.357 7.572 1.00 0.00 H new ATOM 334 N GLU A 21 -7.629 -18.737 7.599 1.00 0.00 N ATOM 335 CA GLU A 21 -6.296 -19.239 8.037 1.00 0.00 C ATOM 336 C GLU A 21 -5.978 -20.544 7.305 1.00 0.00 C ATOM 337 O GLU A 21 -4.874 -20.755 6.842 1.00 0.00 O ATOM 338 CB GLU A 21 -6.317 -19.493 9.545 1.00 0.00 C ATOM 339 CG GLU A 21 -4.919 -19.897 10.015 1.00 0.00 C ATOM 340 CD GLU A 21 -4.963 -20.260 11.500 1.00 0.00 C ATOM 341 OE1 GLU A 21 -6.041 -20.209 12.070 1.00 0.00 O ATOM 342 OE2 GLU A 21 -3.919 -20.582 12.044 1.00 0.00 O ATOM 0 H GLU A 21 -8.355 -18.748 8.316 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.533 -18.496 7.804 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.644 -18.596 10.071 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.033 -20.280 9.782 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.560 -20.746 9.433 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.218 -19.078 9.851 1.00 0.00 H new ATOM 349 N SER A 22 -6.938 -21.422 7.193 1.00 0.00 N ATOM 350 CA SER A 22 -6.690 -22.711 6.489 1.00 0.00 C ATOM 351 C SER A 22 -6.428 -22.437 5.007 1.00 0.00 C ATOM 352 O SER A 22 -5.626 -23.097 4.376 1.00 0.00 O ATOM 353 CB SER A 22 -7.916 -23.615 6.632 1.00 0.00 C ATOM 354 OG SER A 22 -8.997 -23.068 5.891 1.00 0.00 O ATOM 0 H SER A 22 -7.883 -21.302 7.559 1.00 0.00 H new ATOM 0 HA SER A 22 -5.823 -23.205 6.927 1.00 0.00 H new ATOM 0 HB2 SER A 22 -7.685 -24.618 6.273 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.192 -23.708 7.682 1.00 0.00 H new ATOM 0 HG SER A 22 -8.965 -22.090 5.940 1.00 0.00 H new ATOM 360 N ALA A 23 -7.097 -21.467 4.448 1.00 0.00 N ATOM 361 CA ALA A 23 -6.885 -21.149 3.008 1.00 0.00 C ATOM 362 C ALA A 23 -5.485 -20.564 2.817 1.00 0.00 C ATOM 363 O ALA A 23 -4.810 -20.845 1.848 1.00 0.00 O ATOM 364 CB ALA A 23 -7.931 -20.130 2.551 1.00 0.00 C ATOM 0 H ALA A 23 -7.781 -20.881 4.926 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.983 -22.059 2.416 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.776 -19.897 1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.929 -20.547 2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.834 -19.219 3.142 1.00 0.00 H new ATOM 370 N LYS A 24 -5.043 -19.750 3.736 1.00 0.00 N ATOM 371 CA LYS A 24 -3.687 -19.147 3.609 1.00 0.00 C ATOM 372 C LYS A 24 -2.634 -20.257 3.593 1.00 0.00 C ATOM 373 O LYS A 24 -1.716 -20.244 2.797 1.00 0.00 O ATOM 374 CB LYS A 24 -3.429 -18.216 4.796 1.00 0.00 C ATOM 375 CG LYS A 24 -2.091 -17.500 4.602 1.00 0.00 C ATOM 376 CD LYS A 24 -1.799 -16.627 5.824 1.00 0.00 C ATOM 377 CE LYS A 24 -0.548 -15.785 5.562 1.00 0.00 C ATOM 378 NZ LYS A 24 -0.798 -14.378 5.983 1.00 0.00 N ATOM 0 H LYS A 24 -5.563 -19.477 4.570 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.629 -18.578 2.681 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.235 -17.487 4.882 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.416 -18.788 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.293 -18.229 4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.122 -16.886 3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.650 -15.978 6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.652 -17.253 6.704 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.300 -16.195 6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.289 -15.819 4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.052 -13.806 5.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.596 -13.990 5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.025 -14.354 6.998 1.00 0.00 H new ATOM 392 N LYS A 25 -2.758 -21.218 4.467 1.00 0.00 N ATOM 393 CA LYS A 25 -1.764 -22.327 4.502 1.00 0.00 C ATOM 394 C LYS A 25 -1.783 -23.071 3.164 1.00 0.00 C ATOM 395 O LYS A 25 -0.753 -23.363 2.591 1.00 0.00 O ATOM 396 CB LYS A 25 -2.122 -23.297 5.629 1.00 0.00 C ATOM 397 CG LYS A 25 -1.930 -22.603 6.979 1.00 0.00 C ATOM 398 CD LYS A 25 -2.113 -23.621 8.107 1.00 0.00 C ATOM 399 CE LYS A 25 -2.037 -22.905 9.457 1.00 0.00 C ATOM 400 NZ LYS A 25 -0.615 -22.594 9.775 1.00 0.00 N ATOM 0 H LYS A 25 -3.505 -21.283 5.158 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.769 -21.918 4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.154 -23.630 5.523 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.493 -24.186 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.936 -22.159 7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.649 -21.791 7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.074 -24.125 8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.342 -24.389 8.047 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.623 -21.987 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.467 -23.532 10.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.560 -22.138 10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.061 -23.474 9.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.230 -21.952 9.053 1.00 0.00 H new ATOM 414 N ILE A 26 -2.948 -23.376 2.662 1.00 0.00 N ATOM 415 CA ILE A 26 -3.032 -24.099 1.362 1.00 0.00 C ATOM 416 C ILE A 26 -2.495 -23.203 0.243 1.00 0.00 C ATOM 417 O ILE A 26 -1.784 -23.649 -0.635 1.00 0.00 O ATOM 418 CB ILE A 26 -4.491 -24.458 1.071 1.00 0.00 C ATOM 419 CG1 ILE A 26 -5.045 -25.312 2.214 1.00 0.00 C ATOM 420 CG2 ILE A 26 -4.572 -25.243 -0.239 1.00 0.00 C ATOM 421 CD1 ILE A 26 -4.077 -26.459 2.509 1.00 0.00 C ATOM 0 H ILE A 26 -3.845 -23.156 3.096 1.00 0.00 H new ATOM 0 HA ILE A 26 -2.437 -25.010 1.415 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.079 -23.544 0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -5.183 -24.700 3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.024 -25.708 1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -5.611 -25.499 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.179 -24.634 -1.053 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -3.984 -26.157 -0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.471 -27.067 3.323 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.961 -27.076 1.618 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.108 -26.052 2.797 1.00 0.00 H new ATOM 433 N VAL A 27 -2.831 -21.942 0.270 1.00 0.00 N ATOM 434 CA VAL A 27 -2.341 -21.018 -0.791 1.00 0.00 C ATOM 435 C VAL A 27 -0.813 -20.958 -0.751 1.00 0.00 C ATOM 436 O VAL A 27 -0.153 -21.008 -1.770 1.00 0.00 O ATOM 437 CB VAL A 27 -2.914 -19.620 -0.552 1.00 0.00 C ATOM 438 CG1 VAL A 27 -2.270 -18.630 -1.525 1.00 0.00 C ATOM 439 CG2 VAL A 27 -4.427 -19.642 -0.775 1.00 0.00 C ATOM 0 H VAL A 27 -3.423 -21.512 0.981 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.663 -21.381 -1.767 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.702 -19.313 0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.679 -17.634 -1.354 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.192 -18.612 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.480 -18.938 -2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.834 -18.645 -0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.639 -19.951 -1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.887 -20.346 -0.081 1.00 0.00 H new ATOM 449 N GLU A 28 -0.244 -20.848 0.419 1.00 0.00 N ATOM 450 CA GLU A 28 1.241 -20.784 0.522 1.00 0.00 C ATOM 451 C GLU A 28 1.844 -22.108 0.049 1.00 0.00 C ATOM 452 O GLU A 28 2.779 -22.133 -0.728 1.00 0.00 O ATOM 453 CB GLU A 28 1.642 -20.534 1.978 1.00 0.00 C ATOM 454 CG GLU A 28 3.153 -20.312 2.060 1.00 0.00 C ATOM 455 CD GLU A 28 3.563 -20.127 3.522 1.00 0.00 C ATOM 456 OE1 GLU A 28 2.692 -20.193 4.374 1.00 0.00 O ATOM 457 OE2 GLU A 28 4.742 -19.925 3.766 1.00 0.00 O ATOM 0 H GLU A 28 -0.743 -20.800 1.307 1.00 0.00 H new ATOM 0 HA GLU A 28 1.612 -19.972 -0.103 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.114 -19.663 2.367 1.00 0.00 H new ATOM 0 HB3 GLU A 28 1.354 -21.384 2.597 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.680 -21.163 1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.434 -19.434 1.478 1.00 0.00 H new ATOM 464 N VAL A 29 1.320 -23.210 0.511 1.00 0.00 N ATOM 465 CA VAL A 29 1.865 -24.530 0.088 1.00 0.00 C ATOM 466 C VAL A 29 1.574 -24.751 -1.398 1.00 0.00 C ATOM 467 O VAL A 29 2.418 -25.204 -2.145 1.00 0.00 O ATOM 468 CB VAL A 29 1.206 -25.641 0.908 1.00 0.00 C ATOM 469 CG1 VAL A 29 1.869 -26.980 0.577 1.00 0.00 C ATOM 470 CG2 VAL A 29 1.374 -25.343 2.399 1.00 0.00 C ATOM 0 H VAL A 29 0.537 -23.253 1.164 1.00 0.00 H new ATOM 0 HA VAL A 29 2.942 -24.547 0.253 1.00 0.00 H new ATOM 0 HB VAL A 29 0.144 -25.691 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.400 -27.772 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.749 -27.193 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.931 -26.930 0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 29 0.905 -26.134 2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.435 -25.293 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.902 -24.389 2.635 1.00 0.00 H new ATOM 480 N ALA A 30 0.384 -24.435 -1.832 1.00 0.00 N ATOM 481 CA ALA A 30 0.040 -24.628 -3.269 1.00 0.00 C ATOM 482 C ALA A 30 0.931 -23.731 -4.131 1.00 0.00 C ATOM 483 O ALA A 30 1.493 -24.163 -5.118 1.00 0.00 O ATOM 484 CB ALA A 30 -1.427 -24.259 -3.497 1.00 0.00 C ATOM 0 H ALA A 30 -0.364 -24.052 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 30 0.199 -25.671 -3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.679 -24.400 -4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -2.062 -24.897 -2.883 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.587 -23.216 -3.223 1.00 0.00 H new ATOM 490 N LYS A 31 1.064 -22.485 -3.768 1.00 0.00 N ATOM 491 CA LYS A 31 1.918 -21.563 -4.567 1.00 0.00 C ATOM 492 C LYS A 31 3.327 -22.148 -4.686 1.00 0.00 C ATOM 493 O LYS A 31 3.956 -22.071 -5.722 1.00 0.00 O ATOM 494 CB LYS A 31 1.988 -20.201 -3.873 1.00 0.00 C ATOM 495 CG LYS A 31 2.521 -19.155 -4.855 1.00 0.00 C ATOM 496 CD LYS A 31 2.705 -17.821 -4.129 1.00 0.00 C ATOM 497 CE LYS A 31 3.228 -16.773 -5.114 1.00 0.00 C ATOM 498 NZ LYS A 31 2.305 -15.604 -5.134 1.00 0.00 N ATOM 0 H LYS A 31 0.618 -22.066 -2.952 1.00 0.00 H new ATOM 0 HA LYS A 31 1.489 -21.442 -5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.999 -19.911 -3.517 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.637 -20.259 -2.999 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.470 -19.486 -5.276 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.828 -19.036 -5.688 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.757 -17.493 -3.702 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.404 -17.939 -3.301 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.229 -16.454 -4.824 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.307 -17.204 -6.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.661 -14.892 -5.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.358 -15.915 -5.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.251 -15.188 -4.182 1.00 0.00 H new ATOM 512 N SER A 32 3.826 -22.734 -3.632 1.00 0.00 N ATOM 513 CA SER A 32 5.193 -23.324 -3.686 1.00 0.00 C ATOM 514 C SER A 32 5.266 -24.335 -4.833 1.00 0.00 C ATOM 515 O SER A 32 6.299 -24.519 -5.446 1.00 0.00 O ATOM 516 CB SER A 32 5.496 -24.032 -2.363 1.00 0.00 C ATOM 517 OG SER A 32 5.335 -23.117 -1.290 1.00 0.00 O ATOM 0 H SER A 32 3.346 -22.830 -2.737 1.00 0.00 H new ATOM 0 HA SER A 32 5.924 -22.533 -3.851 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.828 -24.883 -2.232 1.00 0.00 H new ATOM 0 HB3 SER A 32 6.513 -24.423 -2.372 1.00 0.00 H new ATOM 0 HG SER A 32 4.380 -22.973 -1.124 1.00 0.00 H new ATOM 523 N THR A 33 4.177 -24.990 -5.128 1.00 0.00 N ATOM 524 CA THR A 33 4.184 -25.987 -6.235 1.00 0.00 C ATOM 525 C THR A 33 4.114 -25.259 -7.579 1.00 0.00 C ATOM 526 O THR A 33 3.745 -24.104 -7.652 1.00 0.00 O ATOM 527 CB THR A 33 2.974 -26.914 -6.095 1.00 0.00 C ATOM 528 OG1 THR A 33 1.794 -26.205 -6.442 1.00 0.00 O ATOM 529 CG2 THR A 33 2.871 -27.406 -4.650 1.00 0.00 C ATOM 0 H THR A 33 3.283 -24.878 -4.650 1.00 0.00 H new ATOM 0 HA THR A 33 5.101 -26.575 -6.187 1.00 0.00 H new ATOM 0 HB THR A 33 3.092 -27.770 -6.760 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.537 -25.616 -5.702 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.009 -28.066 -4.551 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.777 -27.951 -4.386 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.753 -26.552 -3.983 1.00 0.00 H new ATOM 537 N ASN A 34 4.463 -25.926 -8.645 1.00 0.00 N ATOM 538 CA ASN A 34 4.414 -25.272 -9.983 1.00 0.00 C ATOM 539 C ASN A 34 2.994 -24.770 -10.251 1.00 0.00 C ATOM 540 O ASN A 34 2.790 -23.803 -10.958 1.00 0.00 O ATOM 541 CB ASN A 34 4.811 -26.283 -11.060 1.00 0.00 C ATOM 542 CG ASN A 34 6.260 -26.721 -10.839 1.00 0.00 C ATOM 543 OD1 ASN A 34 7.010 -26.056 -10.153 1.00 0.00 O ATOM 544 ND2 ASN A 34 6.689 -27.820 -11.397 1.00 0.00 N ATOM 0 H ASN A 34 4.780 -26.896 -8.647 1.00 0.00 H new ATOM 0 HA ASN A 34 5.107 -24.431 -10.003 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.149 -27.148 -11.024 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.701 -25.839 -12.049 1.00 0.00 H new ATOM 0 HD21 ASN A 34 7.654 -28.120 -11.257 1.00 0.00 H new ATOM 0 HD22 ASN A 34 6.060 -28.379 -11.973 1.00 0.00 H new ATOM 551 N SER A 35 2.010 -25.419 -9.692 1.00 0.00 N ATOM 552 CA SER A 35 0.604 -24.978 -9.916 1.00 0.00 C ATOM 553 C SER A 35 0.367 -23.648 -9.199 1.00 0.00 C ATOM 554 O SER A 35 0.949 -23.373 -8.169 1.00 0.00 O ATOM 555 CB SER A 35 -0.356 -26.033 -9.364 1.00 0.00 C ATOM 556 OG SER A 35 -1.681 -25.523 -9.382 1.00 0.00 O ATOM 0 H SER A 35 2.118 -26.235 -9.090 1.00 0.00 H new ATOM 0 HA SER A 35 0.429 -24.851 -10.984 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.297 -26.942 -9.962 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.072 -26.302 -8.346 1.00 0.00 H new ATOM 0 HG SER A 35 -1.806 -24.966 -10.179 1.00 0.00 H new ATOM 562 N LYS A 36 -0.484 -22.817 -9.736 1.00 0.00 N ATOM 563 CA LYS A 36 -0.758 -21.505 -9.086 1.00 0.00 C ATOM 564 C LYS A 36 -2.151 -21.530 -8.454 1.00 0.00 C ATOM 565 O LYS A 36 -3.042 -22.213 -8.919 1.00 0.00 O ATOM 566 CB LYS A 36 -0.693 -20.392 -10.134 1.00 0.00 C ATOM 567 CG LYS A 36 0.713 -20.341 -10.735 1.00 0.00 C ATOM 568 CD LYS A 36 0.802 -19.176 -11.724 1.00 0.00 C ATOM 569 CE LYS A 36 2.169 -19.195 -12.412 1.00 0.00 C ATOM 570 NZ LYS A 36 3.039 -18.143 -11.815 1.00 0.00 N ATOM 0 H LYS A 36 -1.002 -22.991 -10.598 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.012 -21.320 -8.313 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.429 -20.572 -10.918 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.941 -19.433 -9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.454 -20.219 -9.945 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.938 -21.280 -11.241 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.008 -19.254 -12.467 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.659 -18.230 -11.202 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.633 -20.175 -12.296 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.052 -19.022 -13.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.968 -18.155 -12.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.597 -17.211 -11.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.160 -18.328 -10.799 1.00 0.00 H new ATOM 584 N VAL A 37 -2.347 -20.790 -7.396 1.00 0.00 N ATOM 585 CA VAL A 37 -3.683 -20.772 -6.737 1.00 0.00 C ATOM 586 C VAL A 37 -4.218 -19.339 -6.704 1.00 0.00 C ATOM 587 O VAL A 37 -3.482 -18.397 -6.484 1.00 0.00 O ATOM 588 CB VAL A 37 -3.553 -21.301 -5.308 1.00 0.00 C ATOM 589 CG1 VAL A 37 -4.940 -21.387 -4.668 1.00 0.00 C ATOM 590 CG2 VAL A 37 -2.915 -22.691 -5.334 1.00 0.00 C ATOM 0 H VAL A 37 -1.640 -20.198 -6.960 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.373 -21.403 -7.297 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.926 -20.625 -4.726 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.848 -21.764 -3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.394 -20.396 -4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.568 -22.062 -5.249 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.822 -23.068 -4.315 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.541 -23.368 -5.916 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.927 -22.629 -5.789 1.00 0.00 H new ATOM 600 N SER A 38 -5.493 -19.166 -6.923 1.00 0.00 N ATOM 601 CA SER A 38 -6.073 -17.795 -6.905 1.00 0.00 C ATOM 602 C SER A 38 -7.111 -17.694 -5.785 1.00 0.00 C ATOM 603 O SER A 38 -7.858 -18.619 -5.533 1.00 0.00 O ATOM 604 CB SER A 38 -6.743 -17.507 -8.248 1.00 0.00 C ATOM 605 OG SER A 38 -6.952 -16.109 -8.383 1.00 0.00 O ATOM 0 H SER A 38 -6.158 -19.916 -7.114 1.00 0.00 H new ATOM 0 HA SER A 38 -5.280 -17.068 -6.731 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.119 -17.873 -9.064 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.694 -18.036 -8.313 1.00 0.00 H new ATOM 0 HG SER A 38 -7.380 -15.924 -9.245 1.00 0.00 H new ATOM 611 N GLY A 39 -7.166 -16.577 -5.112 1.00 0.00 N ATOM 612 CA GLY A 39 -8.156 -16.417 -4.011 1.00 0.00 C ATOM 613 C GLY A 39 -7.429 -16.025 -2.724 1.00 0.00 C ATOM 614 O GLY A 39 -6.405 -15.372 -2.754 1.00 0.00 O ATOM 0 H GLY A 39 -6.567 -15.768 -5.278 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.888 -15.654 -4.274 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.704 -17.347 -3.863 1.00 0.00 H new ATOM 618 N PRO A 40 -7.976 -16.435 -1.571 1.00 0.00 N ATOM 619 CA PRO A 40 -9.213 -17.224 -1.515 1.00 0.00 C ATOM 620 C PRO A 40 -10.438 -16.394 -1.912 1.00 0.00 C ATOM 621 O PRO A 40 -10.512 -15.211 -1.642 1.00 0.00 O ATOM 622 CB PRO A 40 -9.314 -17.627 -0.044 1.00 0.00 C ATOM 623 CG PRO A 40 -8.544 -16.578 0.686 1.00 0.00 C ATOM 624 CD PRO A 40 -7.428 -16.162 -0.230 1.00 0.00 C ATOM 0 HA PRO A 40 -9.189 -18.068 -2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.352 -17.660 0.288 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -8.893 -18.618 0.126 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -9.181 -15.729 0.933 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -8.152 -16.967 1.626 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -7.175 -15.109 -0.105 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -6.519 -16.733 -0.042 1.00 0.00 H new ATOM 632 N ILE A 41 -11.398 -17.004 -2.549 1.00 0.00 N ATOM 633 CA ILE A 41 -12.616 -16.251 -2.961 1.00 0.00 C ATOM 634 C ILE A 41 -13.697 -16.410 -1.889 1.00 0.00 C ATOM 635 O ILE A 41 -14.062 -17.509 -1.521 1.00 0.00 O ATOM 636 CB ILE A 41 -13.131 -16.801 -4.292 1.00 0.00 C ATOM 637 CG1 ILE A 41 -12.003 -16.770 -5.327 1.00 0.00 C ATOM 638 CG2 ILE A 41 -14.297 -15.941 -4.783 1.00 0.00 C ATOM 639 CD1 ILE A 41 -11.718 -18.192 -5.814 1.00 0.00 C ATOM 0 H ILE A 41 -11.392 -17.992 -2.802 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.370 -15.195 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 41 -13.470 -17.828 -4.154 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.284 -16.136 -6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -11.104 -16.338 -4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.664 -16.333 -5.732 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -15.100 -15.962 -4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.959 -14.914 -4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -10.915 -18.170 -6.551 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.419 -18.813 -4.969 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -12.617 -18.608 -6.269 1.00 0.00 H new ATOM 651 N PRO A 42 -14.215 -15.283 -1.377 1.00 0.00 N ATOM 652 CA PRO A 42 -15.254 -15.286 -0.340 1.00 0.00 C ATOM 653 C PRO A 42 -16.607 -15.757 -0.882 1.00 0.00 C ATOM 654 O PRO A 42 -17.181 -15.147 -1.762 1.00 0.00 O ATOM 655 CB PRO A 42 -15.344 -13.819 0.080 1.00 0.00 C ATOM 656 CG PRO A 42 -14.860 -13.056 -1.106 1.00 0.00 C ATOM 657 CD PRO A 42 -13.825 -13.918 -1.772 1.00 0.00 C ATOM 0 HA PRO A 42 -15.010 -15.966 0.476 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -16.366 -13.543 0.338 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -14.729 -13.620 0.957 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -15.681 -12.838 -1.789 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -14.433 -12.099 -0.805 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.835 -13.794 -2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -12.819 -13.673 -1.432 1.00 0.00 H new ATOM 665 N LEU A 43 -17.120 -16.839 -0.362 1.00 0.00 N ATOM 666 CA LEU A 43 -18.433 -17.351 -0.841 1.00 0.00 C ATOM 667 C LEU A 43 -19.540 -16.888 0.107 1.00 0.00 C ATOM 668 O LEU A 43 -19.279 -16.395 1.187 1.00 0.00 O ATOM 669 CB LEU A 43 -18.396 -18.882 -0.867 1.00 0.00 C ATOM 670 CG LEU A 43 -17.905 -19.361 -2.234 1.00 0.00 C ATOM 671 CD1 LEU A 43 -17.683 -20.874 -2.193 1.00 0.00 C ATOM 672 CD2 LEU A 43 -18.949 -19.030 -3.299 1.00 0.00 C ATOM 0 H LEU A 43 -16.684 -17.391 0.376 1.00 0.00 H new ATOM 0 HA LEU A 43 -18.631 -16.969 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -17.737 -19.253 -0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -19.389 -19.283 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 43 -16.968 -18.860 -2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -17.333 -21.217 -3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -16.937 -21.112 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -18.621 -21.373 -1.948 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -18.597 -19.372 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -19.887 -19.529 -3.056 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -19.109 -17.952 -3.329 1.00 0.00 H new ATOM 684 N PRO A 44 -20.805 -17.056 -0.308 1.00 0.00 N ATOM 685 CA PRO A 44 -21.966 -16.663 0.503 1.00 0.00 C ATOM 686 C PRO A 44 -22.112 -17.545 1.746 1.00 0.00 C ATOM 687 O PRO A 44 -21.770 -18.711 1.736 1.00 0.00 O ATOM 688 CB PRO A 44 -23.149 -16.886 -0.440 1.00 0.00 C ATOM 689 CG PRO A 44 -22.667 -17.913 -1.407 1.00 0.00 C ATOM 690 CD PRO A 44 -21.204 -17.643 -1.599 1.00 0.00 C ATOM 0 HA PRO A 44 -21.884 -15.640 0.872 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -24.029 -17.233 0.102 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -23.431 -15.964 -0.948 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -22.831 -18.919 -1.022 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -23.205 -17.842 -2.353 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -20.650 -18.556 -1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -21.025 -16.957 -2.427 1.00 0.00 H new ATOM 698 N THR A 45 -22.613 -16.997 2.818 1.00 0.00 N ATOM 699 CA THR A 45 -22.778 -17.803 4.060 1.00 0.00 C ATOM 700 C THR A 45 -24.247 -18.200 4.221 1.00 0.00 C ATOM 701 O THR A 45 -25.126 -17.623 3.612 1.00 0.00 O ATOM 702 CB THR A 45 -22.340 -16.973 5.270 1.00 0.00 C ATOM 703 OG1 THR A 45 -23.326 -15.987 5.547 1.00 0.00 O ATOM 704 CG2 THR A 45 -21.005 -16.289 4.969 1.00 0.00 C ATOM 0 H THR A 45 -22.915 -16.025 2.888 1.00 0.00 H new ATOM 0 HA THR A 45 -22.164 -18.701 3.993 1.00 0.00 H new ATOM 0 HB THR A 45 -22.223 -17.626 6.135 1.00 0.00 H new ATOM 0 HG1 THR A 45 -23.049 -15.456 6.322 1.00 0.00 H new ATOM 0 HG21 THR A 45 -20.696 -15.699 5.832 1.00 0.00 H new ATOM 0 HG22 THR A 45 -20.249 -17.045 4.756 1.00 0.00 H new ATOM 0 HG23 THR A 45 -21.118 -15.635 4.104 1.00 0.00 H new ATOM 762 N VAL A 49 -23.092 -20.137 8.889 1.00 0.00 N ATOM 763 CA VAL A 49 -21.923 -20.921 8.403 1.00 0.00 C ATOM 764 C VAL A 49 -21.227 -20.154 7.276 1.00 0.00 C ATOM 765 O VAL A 49 -21.854 -19.707 6.336 1.00 0.00 O ATOM 766 CB VAL A 49 -22.400 -22.276 7.877 1.00 0.00 C ATOM 767 CG1 VAL A 49 -21.194 -23.107 7.440 1.00 0.00 C ATOM 768 CG2 VAL A 49 -23.154 -23.015 8.985 1.00 0.00 C ATOM 0 HA VAL A 49 -21.223 -21.076 9.224 1.00 0.00 H new ATOM 0 HB VAL A 49 -23.063 -22.123 7.025 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -21.534 -24.072 7.065 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -20.656 -22.581 6.652 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -20.531 -23.261 8.291 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -23.495 -23.981 8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -22.491 -23.168 9.836 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -24.014 -22.423 9.297 1.00 0.00 H new ATOM 778 N HIS A 50 -19.934 -19.998 7.362 1.00 0.00 N ATOM 779 CA HIS A 50 -19.199 -19.261 6.296 1.00 0.00 C ATOM 780 C HIS A 50 -18.469 -20.260 5.396 1.00 0.00 C ATOM 781 O HIS A 50 -18.059 -21.317 5.831 1.00 0.00 O ATOM 782 CB HIS A 50 -18.183 -18.315 6.938 1.00 0.00 C ATOM 783 CG HIS A 50 -18.896 -17.366 7.863 1.00 0.00 C ATOM 784 ND1 HIS A 50 -19.085 -17.646 9.207 1.00 0.00 N ATOM 785 CD2 HIS A 50 -19.473 -16.139 7.651 1.00 0.00 C ATOM 786 CE1 HIS A 50 -19.749 -16.609 9.748 1.00 0.00 C ATOM 787 NE2 HIS A 50 -20.010 -15.662 8.842 1.00 0.00 N ATOM 0 H HIS A 50 -19.355 -20.349 8.125 1.00 0.00 H new ATOM 0 HA HIS A 50 -19.906 -18.684 5.700 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -17.437 -18.886 7.490 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -17.651 -17.758 6.167 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -18.777 -18.486 9.697 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -19.505 -15.622 6.703 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -20.036 -16.549 10.787 1.00 0.00 H new ATOM 795 N LYS A 51 -18.305 -19.935 4.142 1.00 0.00 N ATOM 796 CA LYS A 51 -17.604 -20.870 3.218 1.00 0.00 C ATOM 797 C LYS A 51 -16.637 -20.085 2.330 1.00 0.00 C ATOM 798 O LYS A 51 -16.908 -18.968 1.934 1.00 0.00 O ATOM 799 CB LYS A 51 -18.632 -21.589 2.343 1.00 0.00 C ATOM 800 CG LYS A 51 -19.644 -22.314 3.234 1.00 0.00 C ATOM 801 CD LYS A 51 -20.542 -23.200 2.370 1.00 0.00 C ATOM 802 CE LYS A 51 -21.293 -22.333 1.357 1.00 0.00 C ATOM 803 NZ LYS A 51 -22.728 -22.733 1.327 1.00 0.00 N ATOM 0 H LYS A 51 -18.626 -19.064 3.719 1.00 0.00 H new ATOM 0 HA LYS A 51 -17.046 -21.603 3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -19.144 -20.872 1.702 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -18.132 -22.302 1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -19.123 -22.919 3.976 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.248 -21.590 3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -19.942 -23.947 1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.250 -23.740 2.998 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -21.204 -21.281 1.626 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -20.852 -22.447 0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -23.238 -22.144 0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.804 -23.733 1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -23.145 -22.602 2.271 1.00 0.00 H new ATOM 817 N ARG A 52 -15.509 -20.660 2.011 1.00 0.00 N ATOM 818 CA ARG A 52 -14.525 -19.950 1.147 1.00 0.00 C ATOM 819 C ARG A 52 -14.194 -20.820 -0.067 1.00 0.00 C ATOM 820 O ARG A 52 -14.265 -22.031 -0.012 1.00 0.00 O ATOM 821 CB ARG A 52 -13.247 -19.681 1.944 1.00 0.00 C ATOM 822 CG ARG A 52 -13.554 -18.718 3.093 1.00 0.00 C ATOM 823 CD ARG A 52 -12.262 -18.396 3.846 1.00 0.00 C ATOM 824 NE ARG A 52 -11.406 -17.509 3.009 1.00 0.00 N ATOM 825 CZ ARG A 52 -11.680 -16.236 2.916 1.00 0.00 C ATOM 826 NH1 ARG A 52 -12.622 -15.829 2.110 1.00 0.00 N ATOM 827 NH2 ARG A 52 -11.010 -15.371 3.627 1.00 0.00 N ATOM 0 H ARG A 52 -15.227 -21.593 2.313 1.00 0.00 H new ATOM 0 HA ARG A 52 -14.951 -19.004 0.813 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.847 -20.616 2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -12.483 -19.256 1.293 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -14.000 -17.802 2.705 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -14.282 -19.164 3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.493 -17.908 4.793 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -11.728 -19.316 4.083 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.606 -17.896 2.509 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -13.144 -16.505 1.553 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.836 -14.834 2.037 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.272 -15.690 4.255 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.224 -14.376 3.554 1.00 0.00 H new ATOM 841 N LEU A 53 -13.832 -20.213 -1.164 1.00 0.00 N ATOM 842 CA LEU A 53 -13.499 -21.007 -2.380 1.00 0.00 C ATOM 843 C LEU A 53 -12.108 -20.617 -2.882 1.00 0.00 C ATOM 844 O LEU A 53 -11.772 -19.452 -2.964 1.00 0.00 O ATOM 845 CB LEU A 53 -14.532 -20.725 -3.473 1.00 0.00 C ATOM 846 CG LEU A 53 -14.272 -21.643 -4.670 1.00 0.00 C ATOM 847 CD1 LEU A 53 -14.658 -23.077 -4.305 1.00 0.00 C ATOM 848 CD2 LEU A 53 -15.109 -21.176 -5.862 1.00 0.00 C ATOM 0 H LEU A 53 -13.753 -19.202 -1.271 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.511 -22.069 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -15.539 -20.888 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.474 -19.681 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 53 -13.215 -21.607 -4.933 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -14.473 -23.732 -5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -14.061 -23.409 -3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -15.715 -23.114 -4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -14.924 -21.829 -6.715 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -16.166 -21.211 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -14.834 -20.154 -6.122 1.00 0.00 H new ATOM 860 N ILE A 54 -11.297 -21.581 -3.223 1.00 0.00 N ATOM 861 CA ILE A 54 -9.930 -21.263 -3.723 1.00 0.00 C ATOM 862 C ILE A 54 -9.758 -21.837 -5.130 1.00 0.00 C ATOM 863 O ILE A 54 -9.947 -23.016 -5.356 1.00 0.00 O ATOM 864 CB ILE A 54 -8.887 -21.879 -2.788 1.00 0.00 C ATOM 865 CG1 ILE A 54 -9.109 -21.363 -1.364 1.00 0.00 C ATOM 866 CG2 ILE A 54 -7.486 -21.486 -3.259 1.00 0.00 C ATOM 867 CD1 ILE A 54 -8.127 -22.052 -0.414 1.00 0.00 C ATOM 0 H ILE A 54 -11.522 -22.575 -3.177 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.795 -20.182 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.984 -22.965 -2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.967 -20.283 -1.331 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -10.134 -21.559 -1.050 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.742 -21.924 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -7.327 -21.853 -4.273 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.389 -20.400 -3.247 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.284 -21.685 0.600 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.291 -23.129 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.106 -21.833 -0.725 1.00 0.00 H new ATOM 879 N ASP A 55 -9.403 -21.014 -6.078 1.00 0.00 N ATOM 880 CA ASP A 55 -9.223 -21.515 -7.469 1.00 0.00 C ATOM 881 C ASP A 55 -7.772 -21.958 -7.673 1.00 0.00 C ATOM 882 O ASP A 55 -6.854 -21.375 -7.132 1.00 0.00 O ATOM 883 CB ASP A 55 -9.557 -20.397 -8.460 1.00 0.00 C ATOM 884 CG ASP A 55 -11.045 -20.055 -8.361 1.00 0.00 C ATOM 885 OD1 ASP A 55 -11.768 -20.818 -7.742 1.00 0.00 O ATOM 886 OD2 ASP A 55 -11.437 -19.036 -8.905 1.00 0.00 O ATOM 0 H ASP A 55 -9.230 -20.017 -5.949 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.887 -22.363 -7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.955 -19.514 -8.245 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -9.312 -20.711 -9.475 1.00 0.00 H new ATOM 891 N ILE A 56 -7.561 -22.984 -8.451 1.00 0.00 N ATOM 892 CA ILE A 56 -6.170 -23.464 -8.693 1.00 0.00 C ATOM 893 C ILE A 56 -5.918 -23.544 -10.200 1.00 0.00 C ATOM 894 O ILE A 56 -6.654 -24.179 -10.928 1.00 0.00 O ATOM 895 CB ILE A 56 -5.993 -24.851 -8.070 1.00 0.00 C ATOM 896 CG1 ILE A 56 -6.289 -24.781 -6.571 1.00 0.00 C ATOM 897 CG2 ILE A 56 -4.554 -25.325 -8.283 1.00 0.00 C ATOM 898 CD1 ILE A 56 -6.135 -26.172 -5.954 1.00 0.00 C ATOM 0 H ILE A 56 -8.291 -23.511 -8.930 1.00 0.00 H new ATOM 0 HA ILE A 56 -5.460 -22.771 -8.241 1.00 0.00 H new ATOM 0 HB ILE A 56 -6.682 -25.551 -8.543 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -5.608 -24.080 -6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -7.300 -24.409 -6.406 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -4.427 -26.313 -7.840 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -4.342 -25.377 -9.351 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -3.866 -24.624 -7.810 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.346 -26.122 -4.886 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -6.833 -26.860 -6.430 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.116 -26.527 -6.106 1.00 0.00 H new ATOM 910 N ILE A 57 -4.885 -22.903 -10.673 1.00 0.00 N ATOM 911 CA ILE A 57 -4.591 -22.942 -12.133 1.00 0.00 C ATOM 912 C ILE A 57 -3.372 -23.831 -12.389 1.00 0.00 C ATOM 913 O ILE A 57 -2.406 -23.806 -11.651 1.00 0.00 O ATOM 914 CB ILE A 57 -4.301 -21.525 -12.631 1.00 0.00 C ATOM 915 CG1 ILE A 57 -5.481 -20.612 -12.289 1.00 0.00 C ATOM 916 CG2 ILE A 57 -4.099 -21.549 -14.148 1.00 0.00 C ATOM 917 CD1 ILE A 57 -5.141 -19.172 -12.680 1.00 0.00 C ATOM 0 H ILE A 57 -4.233 -22.355 -10.112 1.00 0.00 H new ATOM 0 HA ILE A 57 -5.452 -23.347 -12.665 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.399 -21.149 -12.149 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.375 -20.942 -12.817 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.701 -20.668 -11.223 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.892 -20.540 -14.504 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.259 -22.199 -14.393 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.002 -21.925 -14.629 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.981 -18.521 -12.437 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.258 -18.845 -12.132 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.942 -19.123 -13.751 1.00 0.00 H new ATOM 929 N ASP A 58 -3.409 -24.616 -13.431 1.00 0.00 N ATOM 930 CA ASP A 58 -2.254 -25.505 -13.737 1.00 0.00 C ATOM 931 C ASP A 58 -1.910 -26.343 -12.505 1.00 0.00 C ATOM 932 O ASP A 58 -0.829 -26.246 -11.959 1.00 0.00 O ATOM 933 CB ASP A 58 -1.044 -24.654 -14.129 1.00 0.00 C ATOM 934 CG ASP A 58 -0.110 -25.475 -15.020 1.00 0.00 C ATOM 935 OD1 ASP A 58 0.762 -26.136 -14.480 1.00 0.00 O ATOM 936 OD2 ASP A 58 -0.282 -25.428 -16.227 1.00 0.00 O ATOM 0 H ASP A 58 -4.190 -24.680 -14.084 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.517 -26.167 -14.563 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.372 -23.758 -14.656 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.514 -24.323 -13.236 1.00 0.00 H new ATOM 941 N PRO A 59 -2.854 -27.185 -12.061 1.00 0.00 N ATOM 942 CA PRO A 59 -2.660 -28.050 -10.891 1.00 0.00 C ATOM 943 C PRO A 59 -1.654 -29.170 -11.176 1.00 0.00 C ATOM 944 O PRO A 59 -1.627 -29.734 -12.252 1.00 0.00 O ATOM 945 CB PRO A 59 -4.048 -28.644 -10.650 1.00 0.00 C ATOM 946 CG PRO A 59 -4.718 -28.587 -11.982 1.00 0.00 C ATOM 947 CD PRO A 59 -4.186 -27.359 -12.667 1.00 0.00 C ATOM 0 HA PRO A 59 -2.263 -27.501 -10.037 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -3.983 -29.668 -10.283 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.600 -28.072 -9.904 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.502 -29.482 -12.565 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.801 -28.532 -11.871 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.122 -27.496 -13.746 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -4.824 -26.493 -12.493 1.00 0.00 H new ATOM 955 N SER A 60 -0.827 -29.495 -10.221 1.00 0.00 N ATOM 956 CA SER A 60 0.175 -30.577 -10.440 1.00 0.00 C ATOM 957 C SER A 60 0.071 -31.606 -9.313 1.00 0.00 C ATOM 958 O SER A 60 -0.552 -31.368 -8.298 1.00 0.00 O ATOM 959 CB SER A 60 1.581 -29.974 -10.452 1.00 0.00 C ATOM 960 OG SER A 60 1.490 -28.561 -10.554 1.00 0.00 O ATOM 0 H SER A 60 -0.801 -29.059 -9.299 1.00 0.00 H new ATOM 0 HA SER A 60 -0.020 -31.065 -11.395 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.114 -30.250 -9.542 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.152 -30.374 -11.290 1.00 0.00 H new ATOM 0 HG SER A 60 2.328 -28.156 -10.246 1.00 0.00 H new ATOM 966 N PRO A 61 0.702 -32.775 -9.501 1.00 0.00 N ATOM 967 CA PRO A 61 0.687 -33.853 -8.504 1.00 0.00 C ATOM 968 C PRO A 61 1.470 -33.470 -7.245 1.00 0.00 C ATOM 969 O PRO A 61 1.260 -34.017 -6.181 1.00 0.00 O ATOM 970 CB PRO A 61 1.378 -35.014 -9.222 1.00 0.00 C ATOM 971 CG PRO A 61 2.234 -34.358 -10.252 1.00 0.00 C ATOM 972 CD PRO A 61 1.482 -33.137 -10.697 1.00 0.00 C ATOM 0 HA PRO A 61 -0.322 -34.087 -8.166 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.974 -35.610 -8.531 1.00 0.00 H new ATOM 0 HB3 PRO A 61 0.652 -35.687 -9.679 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.206 -34.089 -9.838 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.420 -35.029 -11.090 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.156 -32.335 -10.997 1.00 0.00 H new ATOM 0 HD3 PRO A 61 0.838 -33.348 -11.550 1.00 0.00 H new ATOM 980 N LYS A 62 2.365 -32.527 -7.357 1.00 0.00 N ATOM 981 CA LYS A 62 3.153 -32.105 -6.165 1.00 0.00 C ATOM 982 C LYS A 62 2.221 -31.415 -5.167 1.00 0.00 C ATOM 983 O LYS A 62 2.475 -31.392 -3.979 1.00 0.00 O ATOM 984 CB LYS A 62 4.251 -31.130 -6.596 1.00 0.00 C ATOM 985 CG LYS A 62 5.229 -31.844 -7.532 1.00 0.00 C ATOM 986 CD LYS A 62 6.377 -30.897 -7.886 1.00 0.00 C ATOM 987 CE LYS A 62 7.287 -31.563 -8.919 1.00 0.00 C ATOM 988 NZ LYS A 62 6.640 -31.507 -10.261 1.00 0.00 N ATOM 0 H LYS A 62 2.584 -32.031 -8.221 1.00 0.00 H new ATOM 0 HA LYS A 62 3.609 -32.978 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.811 -30.270 -7.100 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.779 -30.751 -5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.619 -32.742 -7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.714 -32.164 -8.438 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.982 -29.962 -8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.947 -30.648 -6.991 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.253 -31.058 -8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.477 -32.599 -8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.336 -31.754 -10.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.849 -32.182 -10.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.282 -30.546 -10.434 1.00 0.00 H new ATOM 1002 N THR A 63 1.142 -30.855 -5.641 1.00 0.00 N ATOM 1003 CA THR A 63 0.192 -30.168 -4.721 1.00 0.00 C ATOM 1004 C THR A 63 -0.529 -31.212 -3.867 1.00 0.00 C ATOM 1005 O THR A 63 -0.711 -31.037 -2.679 1.00 0.00 O ATOM 1006 CB THR A 63 -0.833 -29.382 -5.541 1.00 0.00 C ATOM 1007 OG1 THR A 63 -0.154 -28.510 -6.436 1.00 0.00 O ATOM 1008 CG2 THR A 63 -1.720 -28.564 -4.603 1.00 0.00 C ATOM 0 H THR A 63 0.877 -30.843 -6.626 1.00 0.00 H new ATOM 0 HA THR A 63 0.740 -29.483 -4.074 1.00 0.00 H new ATOM 0 HB THR A 63 -1.453 -30.075 -6.110 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.354 -27.846 -5.924 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.450 -28.004 -5.188 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.240 -29.234 -3.918 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.103 -27.870 -4.032 1.00 0.00 H new ATOM 1016 N ILE A 64 -0.939 -32.298 -4.463 1.00 0.00 N ATOM 1017 CA ILE A 64 -1.647 -33.353 -3.686 1.00 0.00 C ATOM 1018 C ILE A 64 -0.697 -33.931 -2.634 1.00 0.00 C ATOM 1019 O ILE A 64 -1.076 -34.168 -1.505 1.00 0.00 O ATOM 1020 CB ILE A 64 -2.100 -34.467 -4.631 1.00 0.00 C ATOM 1021 CG1 ILE A 64 -3.032 -33.885 -5.696 1.00 0.00 C ATOM 1022 CG2 ILE A 64 -2.843 -35.541 -3.835 1.00 0.00 C ATOM 1023 CD1 ILE A 64 -3.340 -34.956 -6.745 1.00 0.00 C ATOM 0 H ILE A 64 -0.814 -32.500 -5.455 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.518 -32.920 -3.194 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.229 -34.910 -5.113 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.956 -33.536 -5.235 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.566 -33.021 -6.169 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.166 -36.335 -4.508 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.179 -35.956 -3.077 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.714 -35.098 -3.352 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.004 -34.542 -7.504 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.412 -35.283 -7.214 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.824 -35.807 -6.265 1.00 0.00 H new ATOM 1035 N ASP A 65 0.535 -34.160 -2.999 1.00 0.00 N ATOM 1036 CA ASP A 65 1.508 -34.723 -2.020 1.00 0.00 C ATOM 1037 C ASP A 65 1.600 -33.800 -0.803 1.00 0.00 C ATOM 1038 O ASP A 65 1.576 -34.244 0.328 1.00 0.00 O ATOM 1039 CB ASP A 65 2.884 -34.840 -2.679 1.00 0.00 C ATOM 1040 CG ASP A 65 2.822 -35.869 -3.810 1.00 0.00 C ATOM 1041 OD1 ASP A 65 1.842 -36.592 -3.873 1.00 0.00 O ATOM 1042 OD2 ASP A 65 3.756 -35.915 -4.593 1.00 0.00 O ATOM 0 H ASP A 65 0.909 -33.982 -3.931 1.00 0.00 H new ATOM 0 HA ASP A 65 1.173 -35.710 -1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.195 -33.872 -3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.628 -35.139 -1.941 1.00 0.00 H new ATOM 1047 N ALA A 66 1.703 -32.518 -1.024 1.00 0.00 N ATOM 1048 CA ALA A 66 1.795 -31.570 0.122 1.00 0.00 C ATOM 1049 C ALA A 66 0.527 -31.673 0.971 1.00 0.00 C ATOM 1050 O ALA A 66 0.571 -31.596 2.183 1.00 0.00 O ATOM 1051 CB ALA A 66 1.942 -30.141 -0.406 1.00 0.00 C ATOM 0 H ALA A 66 1.727 -32.086 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 66 2.663 -31.821 0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.009 -29.448 0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 66 2.846 -30.068 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.076 -29.888 -1.017 1.00 0.00 H new ATOM 1057 N LEU A 67 -0.605 -31.848 0.344 1.00 0.00 N ATOM 1058 CA LEU A 67 -1.874 -31.957 1.116 1.00 0.00 C ATOM 1059 C LEU A 67 -1.826 -33.204 2.001 1.00 0.00 C ATOM 1060 O LEU A 67 -2.256 -33.187 3.137 1.00 0.00 O ATOM 1061 CB LEU A 67 -3.052 -32.064 0.145 1.00 0.00 C ATOM 1062 CG LEU A 67 -4.363 -32.110 0.933 1.00 0.00 C ATOM 1063 CD1 LEU A 67 -4.955 -30.703 1.021 1.00 0.00 C ATOM 1064 CD2 LEU A 67 -5.351 -33.037 0.223 1.00 0.00 C ATOM 0 H LEU A 67 -0.705 -31.920 -0.669 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.998 -31.073 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.054 -31.212 -0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.952 -32.960 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.171 -32.485 1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.889 -30.736 1.582 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.250 -30.043 1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.148 -30.326 0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.285 -33.071 0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.544 -32.662 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.929 -34.040 0.161 1.00 0.00 H new ATOM 1076 N MET A 68 -1.304 -34.286 1.490 1.00 0.00 N ATOM 1077 CA MET A 68 -1.227 -35.532 2.303 1.00 0.00 C ATOM 1078 C MET A 68 -0.249 -35.324 3.460 1.00 0.00 C ATOM 1079 O MET A 68 -0.390 -35.908 4.518 1.00 0.00 O ATOM 1080 CB MET A 68 -0.737 -36.685 1.424 1.00 0.00 C ATOM 1081 CG MET A 68 -1.844 -37.089 0.449 1.00 0.00 C ATOM 1082 SD MET A 68 -1.346 -38.585 -0.441 1.00 0.00 S ATOM 1083 CE MET A 68 0.134 -37.900 -1.225 1.00 0.00 C ATOM 0 H MET A 68 -0.928 -34.360 0.545 1.00 0.00 H new ATOM 0 HA MET A 68 -2.214 -35.770 2.698 1.00 0.00 H new ATOM 0 HB2 MET A 68 0.155 -36.384 0.874 1.00 0.00 H new ATOM 0 HB3 MET A 68 -0.456 -37.536 2.045 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.773 -37.267 0.990 1.00 0.00 H new ATOM 0 HG3 MET A 68 -2.036 -36.280 -0.256 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.520 -38.610 -1.956 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.119 -36.965 -1.725 1.00 0.00 H new ATOM 0 HE3 MET A 68 0.894 -37.712 -0.466 1.00 0.00 H new ATOM 1093 N ARG A 69 0.740 -34.495 3.271 1.00 0.00 N ATOM 1094 CA ARG A 69 1.727 -34.249 4.362 1.00 0.00 C ATOM 1095 C ARG A 69 1.089 -33.365 5.435 1.00 0.00 C ATOM 1096 O ARG A 69 1.430 -33.442 6.598 1.00 0.00 O ATOM 1097 CB ARG A 69 2.958 -33.546 3.787 1.00 0.00 C ATOM 1098 CG ARG A 69 3.651 -34.470 2.783 1.00 0.00 C ATOM 1099 CD ARG A 69 4.919 -33.793 2.259 1.00 0.00 C ATOM 1100 NE ARG A 69 5.916 -33.681 3.361 1.00 0.00 N ATOM 1101 CZ ARG A 69 7.191 -33.782 3.102 1.00 0.00 C ATOM 1102 NH1 ARG A 69 7.858 -32.737 2.695 1.00 0.00 N ATOM 1103 NH2 ARG A 69 7.798 -34.927 3.248 1.00 0.00 N ATOM 0 H ARG A 69 0.908 -33.977 2.409 1.00 0.00 H new ATOM 0 HA ARG A 69 2.026 -35.200 4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.664 -32.616 3.299 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.647 -33.281 4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.902 -35.418 3.258 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.978 -34.696 1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 69 5.337 -34.369 1.434 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.681 -32.804 1.868 1.00 0.00 H new ATOM 0 HE ARG A 69 5.601 -33.525 4.319 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.383 -31.842 2.579 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.855 -32.815 2.492 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.276 -35.744 3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.795 -35.005 3.045 1.00 0.00 H new ATOM 1117 N ILE A 70 0.165 -32.526 5.055 1.00 0.00 N ATOM 1118 CA ILE A 70 -0.492 -31.637 6.055 1.00 0.00 C ATOM 1119 C ILE A 70 -1.943 -32.080 6.255 1.00 0.00 C ATOM 1120 O ILE A 70 -2.647 -32.378 5.310 1.00 0.00 O ATOM 1121 CB ILE A 70 -0.465 -30.194 5.550 1.00 0.00 C ATOM 1122 CG1 ILE A 70 0.979 -29.781 5.261 1.00 0.00 C ATOM 1123 CG2 ILE A 70 -1.057 -29.270 6.617 1.00 0.00 C ATOM 1124 CD1 ILE A 70 0.993 -28.388 4.628 1.00 0.00 C ATOM 0 H ILE A 70 -0.164 -32.417 4.095 1.00 0.00 H new ATOM 0 HA ILE A 70 0.042 -31.700 7.003 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.054 -30.118 4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.560 -29.779 6.183 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.448 -30.502 4.591 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.038 -28.241 6.258 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.086 -29.564 6.822 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.469 -29.346 7.531 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.022 -28.092 4.422 1.00 0.00 H new ATOM 0 HD12 ILE A 70 0.427 -28.406 3.697 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.541 -27.672 5.314 1.00 0.00 H new ATOM 1136 N ASN A 71 -2.396 -32.124 7.478 1.00 0.00 N ATOM 1137 CA ASN A 71 -3.801 -32.546 7.738 1.00 0.00 C ATOM 1138 C ASN A 71 -4.671 -31.308 7.969 1.00 0.00 C ATOM 1139 O ASN A 71 -4.300 -30.403 8.688 1.00 0.00 O ATOM 1140 CB ASN A 71 -3.844 -33.438 8.980 1.00 0.00 C ATOM 1141 CG ASN A 71 -3.047 -34.718 8.718 1.00 0.00 C ATOM 1142 OD1 ASN A 71 -2.795 -35.069 7.582 1.00 0.00 O ATOM 1143 ND2 ASN A 71 -2.635 -35.434 9.729 1.00 0.00 N ATOM 0 H ASN A 71 -1.854 -31.886 8.308 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.179 -33.101 6.879 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.428 -32.907 9.836 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -4.876 -33.684 9.228 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.102 -36.288 9.565 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.846 -35.139 10.682 1.00 0.00 H new ATOM 1150 N LEU A 72 -5.826 -31.263 7.364 1.00 0.00 N ATOM 1151 CA LEU A 72 -6.718 -30.084 7.549 1.00 0.00 C ATOM 1152 C LEU A 72 -7.106 -29.965 9.025 1.00 0.00 C ATOM 1153 O LEU A 72 -7.203 -30.948 9.732 1.00 0.00 O ATOM 1154 CB LEU A 72 -7.981 -30.261 6.703 1.00 0.00 C ATOM 1155 CG LEU A 72 -8.171 -29.032 5.811 1.00 0.00 C ATOM 1156 CD1 LEU A 72 -8.150 -29.461 4.342 1.00 0.00 C ATOM 1157 CD2 LEU A 72 -9.514 -28.374 6.130 1.00 0.00 C ATOM 0 H LEU A 72 -6.190 -31.991 6.750 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.195 -29.180 7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.899 -31.159 6.091 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.849 -30.393 7.349 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.365 -28.321 5.994 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.285 -28.586 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.193 -29.931 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.956 -30.171 4.159 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.650 -27.499 5.495 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.320 -29.084 5.946 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.530 -28.069 7.176 1.00 0.00 H new ATOM 1169 N PRO A 73 -7.333 -28.729 9.494 1.00 0.00 N ATOM 1170 CA PRO A 73 -7.713 -28.467 10.889 1.00 0.00 C ATOM 1171 C PRO A 73 -9.130 -28.959 11.193 1.00 0.00 C ATOM 1172 O PRO A 73 -10.026 -28.840 10.382 1.00 0.00 O ATOM 1173 CB PRO A 73 -7.656 -26.943 10.994 1.00 0.00 C ATOM 1174 CG PRO A 73 -7.866 -26.463 9.598 1.00 0.00 C ATOM 1175 CD PRO A 73 -7.236 -27.490 8.702 1.00 0.00 C ATOM 0 HA PRO A 73 -7.061 -28.982 11.595 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -8.427 -26.563 11.664 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.697 -26.608 11.388 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.928 -26.355 9.379 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.409 -25.485 9.450 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -7.765 -27.576 7.753 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.201 -27.241 8.469 1.00 0.00 H new ATOM 1183 N ALA A 74 -9.339 -29.513 12.356 1.00 0.00 N ATOM 1184 CA ALA A 74 -10.697 -30.013 12.711 1.00 0.00 C ATOM 1185 C ALA A 74 -11.664 -28.832 12.813 1.00 0.00 C ATOM 1186 O ALA A 74 -11.282 -27.732 13.157 1.00 0.00 O ATOM 1187 CB ALA A 74 -10.637 -30.741 14.054 1.00 0.00 C ATOM 0 H ALA A 74 -8.628 -29.641 13.076 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.044 -30.701 11.940 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -11.630 -31.107 14.314 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.948 -31.582 13.981 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.290 -30.053 14.825 1.00 0.00 H new ATOM 1193 N GLY A 75 -12.916 -29.052 12.516 1.00 0.00 N ATOM 1194 CA GLY A 75 -13.907 -27.943 12.595 1.00 0.00 C ATOM 1195 C GLY A 75 -14.105 -27.331 11.206 1.00 0.00 C ATOM 1196 O GLY A 75 -14.742 -26.309 11.053 1.00 0.00 O ATOM 0 H GLY A 75 -13.295 -29.952 12.222 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.857 -28.317 12.977 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -13.560 -27.181 13.293 1.00 0.00 H new ATOM 1200 N VAL A 76 -13.564 -27.951 10.193 1.00 0.00 N ATOM 1201 CA VAL A 76 -13.723 -27.404 8.815 1.00 0.00 C ATOM 1202 C VAL A 76 -14.108 -28.535 7.860 1.00 0.00 C ATOM 1203 O VAL A 76 -13.630 -29.646 7.973 1.00 0.00 O ATOM 1204 CB VAL A 76 -12.403 -26.779 8.360 1.00 0.00 C ATOM 1205 CG1 VAL A 76 -12.571 -26.203 6.952 1.00 0.00 C ATOM 1206 CG2 VAL A 76 -12.009 -25.659 9.325 1.00 0.00 C ATOM 0 H VAL A 76 -13.020 -28.811 10.259 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.505 -26.644 8.812 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.624 -27.541 8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -11.631 -25.757 6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.852 -27.000 6.264 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -13.350 -25.441 6.961 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -11.068 -25.214 9.001 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -12.788 -24.896 9.334 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -11.890 -26.068 10.328 1.00 0.00 H new ATOM 1216 N ASP A 77 -14.971 -28.262 6.919 1.00 0.00 N ATOM 1217 CA ASP A 77 -15.386 -29.323 5.959 1.00 0.00 C ATOM 1218 C ASP A 77 -14.830 -29.001 4.570 1.00 0.00 C ATOM 1219 O ASP A 77 -14.629 -27.855 4.221 1.00 0.00 O ATOM 1220 CB ASP A 77 -16.914 -29.383 5.894 1.00 0.00 C ATOM 1221 CG ASP A 77 -17.463 -29.843 7.246 1.00 0.00 C ATOM 1222 OD1 ASP A 77 -16.677 -30.306 8.056 1.00 0.00 O ATOM 1223 OD2 ASP A 77 -18.661 -29.725 7.447 1.00 0.00 O ATOM 0 H ASP A 77 -15.406 -27.351 6.774 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.998 -30.285 6.292 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -17.317 -28.403 5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -17.229 -30.070 5.109 1.00 0.00 H new