USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 683 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 70 GLN : amide:sc= -0.58 K(o=-0.043,f=1.1) USER MOD Set 1.2: A 97 THR OG1 : rot 132:sc= 0.537 USER MOD Single : A 7 SER OG : rot 28:sc= 0.117 USER MOD Single : A 8 LYS NZ :NH3+ 151:sc= 1.21 (180deg=0.894) USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= 0.213 (180deg=-0.0841) USER MOD Single : A 17 SER OG : rot 137:sc= -1.54! USER MOD Single : A 20 GLN : amide:sc= -1.45! C(o=-1.5!,f=-8.6!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 68:sc= 1.23 USER MOD Single : A 23 HIS : no HE2:sc= -2.31 X(o=-2.3,f=-2.1) USER MOD Single : A 28 LYS NZ :NH3+ 167:sc= 2.25 (180deg=2.14) USER MOD Single : A 33 ASN : amide:sc= -1.12! C(o=-1.1!,f=-2.6!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot -147:sc= 0.661 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -134:sc= 1.29 (180deg=-0.0082) USER MOD Single : A 49 LYS NZ :NH3+ -143:sc= 0.786 (180deg=0.0751) USER MOD Single : A 50 THR OG1 : rot 63:sc= 1.29 USER MOD Single : A 54 HIS : no HD1:sc= 1.14 K(o=1.1,f=-4.8!) USER MOD Single : A 56 LYS NZ :NH3+ -166:sc=-0.00115 (180deg=-0.167) USER MOD Single : A 57 SER OG : rot -89:sc= 0.149 USER MOD Single : A 61 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0712) USER MOD Single : A 63 ASN : amide:sc= -0.0327 K(o=-0.033,f=-2!) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.44) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 80:sc= 1.17 USER MOD Single : A 73 THR OG1 : rot 73:sc= 0.469 USER MOD Single : A 75 LYS NZ :NH3+ 153:sc= -0.0417 (180deg=-0.804) USER MOD Single : A 76 GLN : amide:sc= -1.55 K(o=-1.6,f=-0.28) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 1.15 K(o=1.1,f=-0.75) USER MOD Single : A 83 SER OG : rot 125:sc= 1.25 USER MOD Single : A 91 SER OG : rot -43:sc= 0.0734 USER MOD Single : A 92 ASN : amide:sc= -0.0399 K(o=-0.04,f=-1.8!) USER MOD Single : A 93 ASN : amide:sc= 0.673 K(o=0.67,f=-9.6!) USER MOD Single : A 96 THR OG1 : rot 170:sc= 0.165 USER MOD ----------------------------------------------------------------- ATOM 77 N SER A 7 4.761 -10.949 -6.903 1.00 0.00 N ATOM 78 CA SER A 7 4.907 -11.678 -5.650 1.00 0.00 C ATOM 79 C SER A 7 3.949 -12.864 -5.563 1.00 0.00 C ATOM 80 O SER A 7 3.388 -13.283 -6.576 1.00 0.00 O ATOM 81 CB SER A 7 4.708 -10.718 -4.477 1.00 0.00 C ATOM 82 OG SER A 7 5.623 -9.636 -4.561 1.00 0.00 O ATOM 0 HA SER A 7 5.915 -12.091 -5.608 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.686 -10.339 -4.479 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.849 -11.250 -3.536 1.00 0.00 H new ATOM 0 HG SER A 7 5.855 -9.476 -5.500 1.00 0.00 H new ATOM 88 N LYS A 8 3.785 -13.404 -4.351 1.00 0.00 N ATOM 89 CA LYS A 8 3.017 -14.630 -4.136 1.00 0.00 C ATOM 90 C LYS A 8 1.634 -14.542 -4.765 1.00 0.00 C ATOM 91 O LYS A 8 1.204 -15.464 -5.457 1.00 0.00 O ATOM 92 CB LYS A 8 2.863 -14.928 -2.643 1.00 0.00 C ATOM 93 CG LYS A 8 4.169 -15.101 -1.888 1.00 0.00 C ATOM 94 CD LYS A 8 3.905 -15.618 -0.482 1.00 0.00 C ATOM 95 CE LYS A 8 5.157 -15.601 0.381 1.00 0.00 C ATOM 96 NZ LYS A 8 5.628 -14.220 0.652 1.00 0.00 N ATOM 0 H LYS A 8 4.179 -13.005 -3.499 1.00 0.00 H new ATOM 0 HA LYS A 8 3.574 -15.436 -4.614 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.298 -14.118 -2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.270 -15.836 -2.528 1.00 0.00 H new ATOM 0 HG2 LYS A 8 4.816 -15.797 -2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 8 4.697 -14.149 -1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.133 -15.009 -0.012 1.00 0.00 H new ATOM 0 HD3 LYS A 8 3.518 -16.635 -0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.953 -16.106 1.325 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.948 -16.162 -0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.120 -14.194 1.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 6.281 -13.922 -0.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 4.813 -13.574 0.678 1.00 0.00 H new ATOM 110 N GLU A 9 0.951 -13.427 -4.536 1.00 0.00 N ATOM 111 CA GLU A 9 -0.396 -13.240 -5.053 1.00 0.00 C ATOM 112 C GLU A 9 -0.400 -13.285 -6.571 1.00 0.00 C ATOM 113 O GLU A 9 -1.287 -13.880 -7.177 1.00 0.00 O ATOM 114 CB GLU A 9 -1.005 -11.916 -4.576 1.00 0.00 C ATOM 115 CG GLU A 9 -0.134 -10.696 -4.836 1.00 0.00 C ATOM 116 CD GLU A 9 0.835 -10.421 -3.708 1.00 0.00 C ATOM 117 OE1 GLU A 9 0.567 -9.496 -2.917 1.00 0.00 O ATOM 118 OE2 GLU A 9 1.853 -11.134 -3.609 1.00 0.00 O ATOM 0 H GLU A 9 1.309 -12.640 -3.996 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.005 -14.057 -4.667 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.966 -11.773 -5.069 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.203 -11.985 -3.506 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.424 -10.843 -5.761 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.771 -9.824 -4.983 1.00 0.00 H new ATOM 125 N GLU A 10 0.614 -12.687 -7.179 1.00 0.00 N ATOM 126 CA GLU A 10 0.697 -12.612 -8.610 1.00 0.00 C ATOM 127 C GLU A 10 1.047 -13.976 -9.200 1.00 0.00 C ATOM 128 O GLU A 10 0.464 -14.402 -10.193 1.00 0.00 O ATOM 129 CB GLU A 10 1.737 -11.578 -8.986 1.00 0.00 C ATOM 130 CG GLU A 10 1.393 -10.169 -8.531 1.00 0.00 C ATOM 131 CD GLU A 10 0.026 -9.717 -9.003 1.00 0.00 C ATOM 132 OE1 GLU A 10 -0.937 -9.820 -8.219 1.00 0.00 O ATOM 133 OE2 GLU A 10 -0.092 -9.267 -10.163 1.00 0.00 O ATOM 0 H GLU A 10 1.392 -12.246 -6.688 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.270 -12.316 -9.018 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.695 -11.866 -8.553 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.863 -11.580 -10.069 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.430 -10.124 -7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.148 -9.477 -8.904 1.00 0.00 H new ATOM 140 N LEU A 11 1.982 -14.664 -8.554 1.00 0.00 N ATOM 141 CA LEU A 11 2.425 -15.982 -9.002 1.00 0.00 C ATOM 142 C LEU A 11 1.298 -17.001 -8.874 1.00 0.00 C ATOM 143 O LEU A 11 1.173 -17.921 -9.687 1.00 0.00 O ATOM 144 CB LEU A 11 3.628 -16.450 -8.173 1.00 0.00 C ATOM 145 CG LEU A 11 4.834 -15.511 -8.171 1.00 0.00 C ATOM 146 CD1 LEU A 11 5.895 -16.013 -7.206 1.00 0.00 C ATOM 147 CD2 LEU A 11 5.412 -15.374 -9.567 1.00 0.00 C ATOM 0 H LEU A 11 2.451 -14.329 -7.713 1.00 0.00 H new ATOM 0 HA LEU A 11 2.716 -15.902 -10.050 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.302 -16.596 -7.143 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.948 -17.423 -8.547 1.00 0.00 H new ATOM 0 HG LEU A 11 4.500 -14.527 -7.841 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.747 -15.333 -7.216 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.479 -16.058 -6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.221 -17.008 -7.509 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.269 -14.701 -9.541 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.729 -16.353 -9.927 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.653 -14.970 -10.237 1.00 0.00 H new ATOM 159 N LEU A 12 0.487 -16.829 -7.840 1.00 0.00 N ATOM 160 CA LEU A 12 -0.610 -17.739 -7.560 1.00 0.00 C ATOM 161 C LEU A 12 -1.816 -17.437 -8.443 1.00 0.00 C ATOM 162 O LEU A 12 -2.466 -18.357 -8.934 1.00 0.00 O ATOM 163 CB LEU A 12 -1.003 -17.639 -6.083 1.00 0.00 C ATOM 164 CG LEU A 12 -2.147 -18.548 -5.636 1.00 0.00 C ATOM 165 CD1 LEU A 12 -1.753 -20.014 -5.761 1.00 0.00 C ATOM 166 CD2 LEU A 12 -2.551 -18.214 -4.209 1.00 0.00 C ATOM 0 H LEU A 12 0.571 -16.059 -7.176 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.277 -18.753 -7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.126 -17.866 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.280 -16.607 -5.869 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.004 -18.377 -6.288 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.583 -20.643 -5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.511 -20.239 -6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.883 -20.211 -5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.367 -18.867 -3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.698 -18.360 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.878 -17.175 -4.157 1.00 0.00 H new ATOM 178 N ARG A 13 -2.105 -16.152 -8.663 1.00 0.00 N ATOM 179 CA ARG A 13 -3.270 -15.761 -9.458 1.00 0.00 C ATOM 180 C ARG A 13 -3.097 -16.204 -10.909 1.00 0.00 C ATOM 181 O ARG A 13 -4.071 -16.308 -11.653 1.00 0.00 O ATOM 182 CB ARG A 13 -3.531 -14.248 -9.368 1.00 0.00 C ATOM 183 CG ARG A 13 -2.542 -13.388 -10.134 1.00 0.00 C ATOM 184 CD ARG A 13 -2.623 -11.929 -9.709 1.00 0.00 C ATOM 185 NE ARG A 13 -3.956 -11.350 -9.889 1.00 0.00 N ATOM 186 CZ ARG A 13 -4.349 -10.197 -9.336 1.00 0.00 C ATOM 187 NH1 ARG A 13 -3.508 -9.490 -8.582 1.00 0.00 N ATOM 188 NH2 ARG A 13 -5.574 -9.739 -9.553 1.00 0.00 N ATOM 0 H ARG A 13 -1.554 -15.372 -8.305 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.144 -16.265 -9.046 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.535 -14.043 -9.740 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.514 -13.952 -8.319 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.531 -13.760 -9.969 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.741 -13.468 -11.203 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.336 -11.846 -8.661 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.901 -11.349 -10.284 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.624 -11.856 -10.470 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.558 -9.827 -8.424 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.814 -8.612 -8.163 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.219 -10.266 -10.142 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.872 -8.860 -9.131 1.00 0.00 H new ATOM 202 N GLU A 14 -1.850 -16.477 -11.296 1.00 0.00 N ATOM 203 CA GLU A 14 -1.567 -17.093 -12.587 1.00 0.00 C ATOM 204 C GLU A 14 -2.246 -18.454 -12.671 1.00 0.00 C ATOM 205 O GLU A 14 -2.853 -18.813 -13.677 1.00 0.00 O ATOM 206 CB GLU A 14 -0.064 -17.316 -12.775 1.00 0.00 C ATOM 207 CG GLU A 14 0.801 -16.070 -12.724 1.00 0.00 C ATOM 208 CD GLU A 14 2.271 -16.415 -12.867 1.00 0.00 C ATOM 209 OE1 GLU A 14 3.101 -15.875 -12.105 1.00 0.00 O ATOM 210 OE2 GLU A 14 2.605 -17.256 -13.723 1.00 0.00 O ATOM 0 H GLU A 14 -1.023 -16.280 -10.732 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.940 -16.420 -13.359 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.281 -18.006 -12.005 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.094 -17.806 -13.736 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.506 -15.387 -13.521 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.637 -15.549 -11.781 1.00 0.00 H new ATOM 217 N LYS A 15 -2.136 -19.196 -11.578 1.00 0.00 N ATOM 218 CA LYS A 15 -2.551 -20.586 -11.522 1.00 0.00 C ATOM 219 C LYS A 15 -3.950 -20.724 -10.939 1.00 0.00 C ATOM 220 O LYS A 15 -4.368 -21.818 -10.558 1.00 0.00 O ATOM 221 CB LYS A 15 -1.545 -21.343 -10.669 1.00 0.00 C ATOM 222 CG LYS A 15 -0.130 -21.200 -11.187 1.00 0.00 C ATOM 223 CD LYS A 15 0.890 -21.414 -10.091 1.00 0.00 C ATOM 224 CE LYS A 15 2.306 -21.401 -10.642 1.00 0.00 C ATOM 225 NZ LYS A 15 2.595 -20.160 -11.410 1.00 0.00 N ATOM 0 H LYS A 15 -1.753 -18.845 -10.700 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.582 -20.997 -12.531 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.593 -20.977 -9.644 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.815 -22.399 -10.643 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.039 -21.920 -11.988 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.001 -20.208 -11.618 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.784 -20.635 -9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.699 -22.366 -9.595 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.016 -21.492 -9.820 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.452 -22.268 -11.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.624 -20.016 -11.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.209 -20.249 -12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.155 -19.347 -10.934 1.00 0.00 H new ATOM 239 N LEU A 16 -4.667 -19.615 -10.877 1.00 0.00 N ATOM 240 CA LEU A 16 -6.020 -19.606 -10.348 1.00 0.00 C ATOM 241 C LEU A 16 -7.020 -19.358 -11.470 1.00 0.00 C ATOM 242 O LEU A 16 -6.645 -18.913 -12.555 1.00 0.00 O ATOM 243 CB LEU A 16 -6.170 -18.517 -9.279 1.00 0.00 C ATOM 244 CG LEU A 16 -5.338 -18.706 -8.013 1.00 0.00 C ATOM 245 CD1 LEU A 16 -5.535 -17.531 -7.069 1.00 0.00 C ATOM 246 CD2 LEU A 16 -5.702 -20.009 -7.324 1.00 0.00 C ATOM 0 H LEU A 16 -4.332 -18.703 -11.189 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.218 -20.578 -9.896 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.905 -17.558 -9.725 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.220 -18.457 -8.994 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.286 -18.750 -8.296 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.935 -17.681 -6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.224 -16.611 -7.564 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.587 -17.458 -6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.098 -20.126 -6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.758 -19.995 -7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.511 -20.843 -7.999 1.00 0.00 H new ATOM 258 N SER A 17 -8.286 -19.648 -11.213 1.00 0.00 N ATOM 259 CA SER A 17 -9.341 -19.333 -12.159 1.00 0.00 C ATOM 260 C SER A 17 -9.723 -17.865 -12.006 1.00 0.00 C ATOM 261 O SER A 17 -9.304 -17.220 -11.044 1.00 0.00 O ATOM 262 CB SER A 17 -10.544 -20.256 -11.937 1.00 0.00 C ATOM 263 OG SER A 17 -10.777 -20.466 -10.552 1.00 0.00 O ATOM 0 H SER A 17 -8.606 -20.101 -10.357 1.00 0.00 H new ATOM 0 HA SER A 17 -8.990 -19.496 -13.178 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.431 -19.820 -12.396 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.368 -21.213 -12.429 1.00 0.00 H new ATOM 0 HG SER A 17 -11.738 -20.402 -10.368 1.00 0.00 H new ATOM 269 N GLU A 18 -10.522 -17.338 -12.923 1.00 0.00 N ATOM 270 CA GLU A 18 -10.816 -15.908 -12.935 1.00 0.00 C ATOM 271 C GLU A 18 -11.665 -15.555 -11.732 1.00 0.00 C ATOM 272 O GLU A 18 -11.548 -14.472 -11.153 1.00 0.00 O ATOM 273 CB GLU A 18 -11.534 -15.520 -14.224 1.00 0.00 C ATOM 274 CG GLU A 18 -10.705 -15.763 -15.472 1.00 0.00 C ATOM 275 CD GLU A 18 -11.441 -15.383 -16.735 1.00 0.00 C ATOM 276 OE1 GLU A 18 -11.546 -14.173 -17.023 1.00 0.00 O ATOM 277 OE2 GLU A 18 -11.925 -16.291 -17.443 1.00 0.00 O ATOM 0 H GLU A 18 -10.976 -17.872 -13.664 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.879 -15.353 -12.887 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.463 -16.085 -14.298 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -11.806 -14.465 -14.177 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.780 -15.190 -15.408 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.426 -16.815 -15.520 1.00 0.00 H new ATOM 284 N ASP A 19 -12.507 -16.499 -11.358 1.00 0.00 N ATOM 285 CA ASP A 19 -13.315 -16.386 -10.161 1.00 0.00 C ATOM 286 C ASP A 19 -12.429 -16.258 -8.922 1.00 0.00 C ATOM 287 O ASP A 19 -12.665 -15.408 -8.066 1.00 0.00 O ATOM 288 CB ASP A 19 -14.257 -17.592 -10.051 1.00 0.00 C ATOM 289 CG ASP A 19 -13.561 -18.930 -10.235 1.00 0.00 C ATOM 290 OD1 ASP A 19 -13.659 -19.504 -11.341 1.00 0.00 O ATOM 291 OD2 ASP A 19 -12.917 -19.417 -9.291 1.00 0.00 O ATOM 0 H ASP A 19 -12.650 -17.366 -11.876 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.921 -15.482 -10.226 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -14.741 -17.576 -9.075 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -15.044 -17.496 -10.799 1.00 0.00 H new ATOM 296 N GLN A 20 -11.386 -17.082 -8.858 1.00 0.00 N ATOM 297 CA GLN A 20 -10.434 -17.040 -7.752 1.00 0.00 C ATOM 298 C GLN A 20 -9.648 -15.728 -7.754 1.00 0.00 C ATOM 299 O GLN A 20 -9.448 -15.117 -6.707 1.00 0.00 O ATOM 300 CB GLN A 20 -9.454 -18.213 -7.841 1.00 0.00 C ATOM 301 CG GLN A 20 -10.091 -19.594 -7.761 1.00 0.00 C ATOM 302 CD GLN A 20 -10.790 -19.874 -6.447 1.00 0.00 C ATOM 303 OE1 GLN A 20 -11.335 -18.983 -5.806 1.00 0.00 O ATOM 304 NE2 GLN A 20 -10.761 -21.129 -6.030 1.00 0.00 N ATOM 0 H GLN A 20 -11.178 -17.790 -9.563 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.003 -17.111 -6.825 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.905 -18.137 -8.779 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -8.725 -18.119 -7.036 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -10.810 -19.699 -8.573 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.320 -20.348 -7.919 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -10.297 -21.843 -6.592 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.202 -21.383 -5.146 1.00 0.00 H new ATOM 313 N LYS A 21 -9.207 -15.304 -8.942 1.00 0.00 N ATOM 314 CA LYS A 21 -8.405 -14.085 -9.085 1.00 0.00 C ATOM 315 C LYS A 21 -9.148 -12.871 -8.535 1.00 0.00 C ATOM 316 O LYS A 21 -8.544 -11.966 -7.955 1.00 0.00 O ATOM 317 CB LYS A 21 -8.066 -13.829 -10.558 1.00 0.00 C ATOM 318 CG LYS A 21 -7.336 -14.967 -11.249 1.00 0.00 C ATOM 319 CD LYS A 21 -7.096 -14.645 -12.716 1.00 0.00 C ATOM 320 CE LYS A 21 -6.712 -15.881 -13.514 1.00 0.00 C ATOM 321 NZ LYS A 21 -6.511 -15.569 -14.955 1.00 0.00 N ATOM 0 H LYS A 21 -9.392 -15.788 -9.820 1.00 0.00 H new ATOM 0 HA LYS A 21 -7.487 -14.233 -8.517 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -8.990 -13.627 -11.099 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -7.454 -12.929 -10.625 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.383 -15.149 -10.752 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.920 -15.884 -11.164 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.997 -14.203 -13.142 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.305 -13.899 -12.799 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.797 -16.309 -13.104 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.491 -16.636 -13.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.250 -16.437 -15.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.392 -15.185 -15.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.750 -14.867 -15.055 1.00 0.00 H new ATOM 335 N THR A 22 -10.462 -12.874 -8.711 1.00 0.00 N ATOM 336 CA THR A 22 -11.297 -11.755 -8.307 1.00 0.00 C ATOM 337 C THR A 22 -11.275 -11.567 -6.791 1.00 0.00 C ATOM 338 O THR A 22 -11.079 -10.457 -6.293 1.00 0.00 O ATOM 339 CB THR A 22 -12.750 -11.959 -8.784 1.00 0.00 C ATOM 340 OG1 THR A 22 -12.768 -12.226 -10.196 1.00 0.00 O ATOM 341 CG2 THR A 22 -13.604 -10.732 -8.491 1.00 0.00 C ATOM 0 H THR A 22 -10.975 -13.647 -9.135 1.00 0.00 H new ATOM 0 HA THR A 22 -10.891 -10.858 -8.774 1.00 0.00 H new ATOM 0 HB THR A 22 -13.166 -12.808 -8.241 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.360 -13.100 -10.369 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.622 -10.906 -8.839 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.614 -10.544 -7.417 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.187 -9.867 -9.007 1.00 0.00 H new ATOM 349 N HIS A 23 -11.447 -12.658 -6.061 1.00 0.00 N ATOM 350 CA HIS A 23 -11.505 -12.593 -4.607 1.00 0.00 C ATOM 351 C HIS A 23 -10.108 -12.638 -4.001 1.00 0.00 C ATOM 352 O HIS A 23 -9.917 -12.335 -2.822 1.00 0.00 O ATOM 353 CB HIS A 23 -12.391 -13.714 -4.071 1.00 0.00 C ATOM 354 CG HIS A 23 -13.819 -13.538 -4.482 1.00 0.00 C ATOM 355 ND1 HIS A 23 -14.331 -14.176 -5.583 1.00 0.00 N ATOM 356 CD2 HIS A 23 -14.779 -12.749 -3.943 1.00 0.00 C ATOM 357 CE1 HIS A 23 -15.579 -13.763 -5.694 1.00 0.00 C ATOM 358 NE2 HIS A 23 -15.899 -12.897 -4.722 1.00 0.00 N ATOM 0 H HIS A 23 -11.549 -13.596 -6.448 1.00 0.00 H new ATOM 0 HA HIS A 23 -11.948 -11.641 -4.314 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -12.024 -14.673 -4.435 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -12.326 -13.740 -2.983 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -13.846 -14.835 -6.192 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.682 -12.123 -3.068 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -16.258 -14.083 -6.471 1.00 0.00 H new ATOM 366 N LEU A 24 -9.133 -13.002 -4.825 1.00 0.00 N ATOM 367 CA LEU A 24 -7.731 -12.926 -4.442 1.00 0.00 C ATOM 368 C LEU A 24 -7.377 -11.463 -4.160 1.00 0.00 C ATOM 369 O LEU A 24 -6.891 -11.124 -3.084 1.00 0.00 O ATOM 370 CB LEU A 24 -6.865 -13.513 -5.574 1.00 0.00 C ATOM 371 CG LEU A 24 -5.387 -13.773 -5.255 1.00 0.00 C ATOM 372 CD1 LEU A 24 -4.576 -12.491 -5.327 1.00 0.00 C ATOM 373 CD2 LEU A 24 -5.240 -14.433 -3.891 1.00 0.00 C ATOM 0 H LEU A 24 -9.291 -13.355 -5.769 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.542 -13.506 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.314 -14.454 -5.891 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.914 -12.834 -6.425 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.995 -14.456 -6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.533 -12.707 -5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.646 -12.072 -6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.966 -11.773 -4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.184 -14.609 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.656 -13.780 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.774 -15.383 -3.887 1.00 0.00 H new ATOM 385 N ASP A 25 -7.661 -10.604 -5.134 1.00 0.00 N ATOM 386 CA ASP A 25 -7.471 -9.157 -4.988 1.00 0.00 C ATOM 387 C ASP A 25 -8.330 -8.613 -3.847 1.00 0.00 C ATOM 388 O ASP A 25 -7.919 -7.707 -3.122 1.00 0.00 O ATOM 389 CB ASP A 25 -7.852 -8.454 -6.293 1.00 0.00 C ATOM 390 CG ASP A 25 -7.615 -6.954 -6.252 1.00 0.00 C ATOM 391 OD1 ASP A 25 -6.480 -6.516 -6.553 1.00 0.00 O ATOM 392 OD2 ASP A 25 -8.560 -6.204 -5.937 1.00 0.00 O ATOM 0 H ASP A 25 -8.028 -10.885 -6.044 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.423 -8.966 -4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.276 -8.885 -7.112 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.904 -8.644 -6.508 1.00 0.00 H new ATOM 397 N TRP A 26 -9.517 -9.191 -3.697 1.00 0.00 N ATOM 398 CA TRP A 26 -10.462 -8.781 -2.659 1.00 0.00 C ATOM 399 C TRP A 26 -9.860 -8.935 -1.261 1.00 0.00 C ATOM 400 O TRP A 26 -9.981 -8.036 -0.429 1.00 0.00 O ATOM 401 CB TRP A 26 -11.755 -9.596 -2.768 1.00 0.00 C ATOM 402 CG TRP A 26 -12.803 -9.214 -1.761 1.00 0.00 C ATOM 403 CD1 TRP A 26 -13.729 -8.216 -1.884 1.00 0.00 C ATOM 404 CD2 TRP A 26 -13.036 -9.825 -0.482 1.00 0.00 C ATOM 405 NE1 TRP A 26 -14.525 -8.169 -0.763 1.00 0.00 N ATOM 406 CE2 TRP A 26 -14.121 -9.149 0.110 1.00 0.00 C ATOM 407 CE3 TRP A 26 -12.435 -10.879 0.218 1.00 0.00 C ATOM 408 CZ2 TRP A 26 -14.615 -9.492 1.367 1.00 0.00 C ATOM 409 CZ3 TRP A 26 -12.929 -11.218 1.468 1.00 0.00 C ATOM 410 CH2 TRP A 26 -14.008 -10.526 2.028 1.00 0.00 C ATOM 0 H TRP A 26 -9.852 -9.953 -4.287 1.00 0.00 H new ATOM 0 HA TRP A 26 -10.688 -7.726 -2.813 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -12.166 -9.474 -3.770 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -11.518 -10.653 -2.648 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -13.822 -7.560 -2.737 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -15.290 -7.513 -0.606 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -11.602 -11.418 -0.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -15.447 -8.961 1.804 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -12.474 -12.029 2.018 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.370 -10.814 3.004 1.00 0.00 H new ATOM 421 N LEU A 27 -9.206 -10.065 -1.004 1.00 0.00 N ATOM 422 CA LEU A 27 -8.620 -10.325 0.309 1.00 0.00 C ATOM 423 C LEU A 27 -7.507 -9.354 0.636 1.00 0.00 C ATOM 424 O LEU A 27 -7.225 -9.093 1.803 1.00 0.00 O ATOM 425 CB LEU A 27 -8.095 -11.748 0.398 1.00 0.00 C ATOM 426 CG LEU A 27 -9.146 -12.773 0.732 1.00 0.00 C ATOM 427 CD1 LEU A 27 -8.579 -14.174 0.628 1.00 0.00 C ATOM 428 CD2 LEU A 27 -9.702 -12.529 2.118 1.00 0.00 C ATOM 0 H LEU A 27 -9.069 -10.813 -1.684 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.417 -10.188 1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.634 -12.013 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.311 -11.788 1.154 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.958 -12.678 0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.355 -14.900 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.226 -14.349 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.747 -14.283 1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -10.460 -13.279 2.343 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.897 -12.596 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.150 -11.536 2.161 1.00 0.00 H new ATOM 440 N LYS A 28 -6.883 -8.819 -0.394 1.00 0.00 N ATOM 441 CA LYS A 28 -5.836 -7.832 -0.210 1.00 0.00 C ATOM 442 C LYS A 28 -6.415 -6.605 0.486 1.00 0.00 C ATOM 443 O LYS A 28 -5.754 -5.957 1.296 1.00 0.00 O ATOM 444 CB LYS A 28 -5.238 -7.471 -1.564 1.00 0.00 C ATOM 445 CG LYS A 28 -4.005 -6.591 -1.490 1.00 0.00 C ATOM 446 CD LYS A 28 -3.315 -6.527 -2.842 1.00 0.00 C ATOM 447 CE LYS A 28 -2.407 -7.727 -3.081 1.00 0.00 C ATOM 448 NZ LYS A 28 -1.147 -7.651 -2.287 1.00 0.00 N ATOM 0 H LYS A 28 -7.082 -9.050 -1.367 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.041 -8.237 0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.982 -8.390 -2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.997 -6.963 -2.159 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.286 -5.587 -1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.316 -6.982 -0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.067 -6.479 -3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -2.728 -5.611 -2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.942 -8.641 -2.823 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.162 -7.789 -4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -0.668 -8.574 -2.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.522 -6.927 -2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.371 -7.399 -1.303 1.00 0.00 H new ATOM 462 N GLU A 29 -7.668 -6.309 0.161 1.00 0.00 N ATOM 463 CA GLU A 29 -8.427 -5.283 0.871 1.00 0.00 C ATOM 464 C GLU A 29 -9.005 -5.836 2.166 1.00 0.00 C ATOM 465 O GLU A 29 -8.993 -5.167 3.197 1.00 0.00 O ATOM 466 CB GLU A 29 -9.593 -4.757 0.032 1.00 0.00 C ATOM 467 CG GLU A 29 -9.207 -4.039 -1.244 1.00 0.00 C ATOM 468 CD GLU A 29 -10.411 -3.367 -1.875 1.00 0.00 C ATOM 469 OE1 GLU A 29 -10.362 -2.143 -2.114 1.00 0.00 O ATOM 470 OE2 GLU A 29 -11.432 -4.049 -2.086 1.00 0.00 O ATOM 0 H GLU A 29 -8.182 -6.766 -0.592 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.728 -4.472 1.077 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.240 -5.596 -0.225 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.182 -4.077 0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.441 -3.294 -1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.772 -4.749 -1.948 1.00 0.00 H new ATOM 477 N ALA A 30 -9.534 -7.054 2.087 1.00 0.00 N ATOM 478 CA ALA A 30 -10.227 -7.683 3.207 1.00 0.00 C ATOM 479 C ALA A 30 -9.354 -7.751 4.448 1.00 0.00 C ATOM 480 O ALA A 30 -9.751 -7.283 5.515 1.00 0.00 O ATOM 481 CB ALA A 30 -10.700 -9.076 2.834 1.00 0.00 C ATOM 0 H ALA A 30 -9.494 -7.631 1.247 1.00 0.00 H new ATOM 0 HA ALA A 30 -11.092 -7.060 3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -11.214 -9.526 3.684 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -11.384 -9.013 1.988 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -9.842 -9.691 2.562 1.00 0.00 H new ATOM 487 N LEU A 31 -8.179 -8.352 4.311 1.00 0.00 N ATOM 488 CA LEU A 31 -7.237 -8.434 5.414 1.00 0.00 C ATOM 489 C LEU A 31 -6.837 -7.049 5.914 1.00 0.00 C ATOM 490 O LEU A 31 -6.550 -6.865 7.099 1.00 0.00 O ATOM 491 CB LEU A 31 -6.004 -9.214 4.988 1.00 0.00 C ATOM 492 CG LEU A 31 -6.157 -10.734 5.019 1.00 0.00 C ATOM 493 CD1 LEU A 31 -6.387 -11.223 6.439 1.00 0.00 C ATOM 494 CD2 LEU A 31 -7.281 -11.205 4.117 1.00 0.00 C ATOM 0 H LEU A 31 -7.858 -8.789 3.447 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.728 -8.955 6.236 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.733 -8.912 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.174 -8.934 5.637 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.226 -11.159 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.493 -12.308 6.438 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.538 -10.942 7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.295 -10.770 6.837 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.357 -12.291 4.167 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.221 -10.760 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.074 -10.903 3.090 1.00 0.00 H new ATOM 506 N GLY A 32 -6.815 -6.079 5.010 1.00 0.00 N ATOM 507 CA GLY A 32 -6.453 -4.727 5.383 1.00 0.00 C ATOM 508 C GLY A 32 -4.955 -4.560 5.425 1.00 0.00 C ATOM 509 O GLY A 32 -4.391 -3.721 4.726 1.00 0.00 O ATOM 0 H GLY A 32 -7.042 -6.205 4.024 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.881 -4.022 4.670 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.876 -4.490 6.359 1.00 0.00 H new ATOM 513 N ASN A 33 -4.309 -5.361 6.257 1.00 0.00 N ATOM 514 CA ASN A 33 -2.864 -5.440 6.257 1.00 0.00 C ATOM 515 C ASN A 33 -2.421 -6.387 5.161 1.00 0.00 C ATOM 516 O ASN A 33 -2.787 -7.563 5.160 1.00 0.00 O ATOM 517 CB ASN A 33 -2.329 -5.922 7.608 1.00 0.00 C ATOM 518 CG ASN A 33 -0.818 -6.066 7.615 1.00 0.00 C ATOM 519 OD1 ASN A 33 -0.112 -5.409 6.849 1.00 0.00 O ATOM 520 ND2 ASN A 33 -0.307 -6.916 8.487 1.00 0.00 N ATOM 0 H ASN A 33 -4.766 -5.965 6.940 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.462 -4.443 6.078 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -2.628 -5.219 8.386 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.784 -6.882 7.854 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.703 -7.045 8.541 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -0.923 -7.443 9.106 1.00 0.00 H new ATOM 527 N ASP A 34 -1.640 -5.869 4.230 1.00 0.00 N ATOM 528 CA ASP A 34 -1.144 -6.664 3.118 1.00 0.00 C ATOM 529 C ASP A 34 -0.283 -7.807 3.640 1.00 0.00 C ATOM 530 O ASP A 34 -0.201 -8.871 3.033 1.00 0.00 O ATOM 531 CB ASP A 34 -0.346 -5.780 2.168 1.00 0.00 C ATOM 532 CG ASP A 34 -0.087 -6.441 0.832 1.00 0.00 C ATOM 533 OD1 ASP A 34 1.095 -6.623 0.480 1.00 0.00 O ATOM 534 OD2 ASP A 34 -1.067 -6.768 0.132 1.00 0.00 O ATOM 0 H ASP A 34 -1.334 -4.896 4.221 1.00 0.00 H new ATOM 0 HA ASP A 34 -1.987 -7.088 2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.885 -4.846 2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.606 -5.523 2.632 1.00 0.00 H new ATOM 539 N GLY A 35 0.333 -7.577 4.795 1.00 0.00 N ATOM 540 CA GLY A 35 1.109 -8.611 5.453 1.00 0.00 C ATOM 541 C GLY A 35 0.258 -9.805 5.857 1.00 0.00 C ATOM 542 O GLY A 35 0.703 -10.948 5.767 1.00 0.00 O ATOM 0 H GLY A 35 0.308 -6.685 5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.905 -8.944 4.787 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.589 -8.194 6.338 1.00 0.00 H new ATOM 546 N GLU A 36 -0.976 -9.546 6.293 1.00 0.00 N ATOM 547 CA GLU A 36 -1.897 -10.624 6.649 1.00 0.00 C ATOM 548 C GLU A 36 -2.406 -11.341 5.401 1.00 0.00 C ATOM 549 O GLU A 36 -2.798 -12.508 5.454 1.00 0.00 O ATOM 550 CB GLU A 36 -3.071 -10.082 7.465 1.00 0.00 C ATOM 551 CG GLU A 36 -2.673 -9.590 8.843 1.00 0.00 C ATOM 552 CD GLU A 36 -2.176 -10.709 9.736 1.00 0.00 C ATOM 553 OE1 GLU A 36 -2.983 -11.259 10.513 1.00 0.00 O ATOM 554 OE2 GLU A 36 -0.973 -11.038 9.677 1.00 0.00 O ATOM 0 H GLU A 36 -1.357 -8.607 6.407 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.352 -11.344 7.259 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -3.538 -9.264 6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.822 -10.865 7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.894 -8.834 8.745 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.529 -9.106 9.314 1.00 0.00 H new ATOM 561 N PHE A 37 -2.393 -10.642 4.276 1.00 0.00 N ATOM 562 CA PHE A 37 -2.761 -11.245 3.002 1.00 0.00 C ATOM 563 C PHE A 37 -1.618 -12.129 2.508 1.00 0.00 C ATOM 564 O PHE A 37 -1.844 -13.175 1.903 1.00 0.00 O ATOM 565 CB PHE A 37 -3.112 -10.158 1.980 1.00 0.00 C ATOM 566 CG PHE A 37 -3.456 -10.677 0.613 1.00 0.00 C ATOM 567 CD1 PHE A 37 -2.610 -10.434 -0.455 1.00 0.00 C ATOM 568 CD2 PHE A 37 -4.624 -11.400 0.387 1.00 0.00 C ATOM 569 CE1 PHE A 37 -2.915 -10.896 -1.718 1.00 0.00 C ATOM 570 CE2 PHE A 37 -4.928 -11.864 -0.877 1.00 0.00 C ATOM 571 CZ PHE A 37 -4.074 -11.612 -1.930 1.00 0.00 C ATOM 0 H PHE A 37 -2.132 -9.658 4.218 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.645 -11.868 3.135 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -3.955 -9.580 2.358 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.269 -9.473 1.893 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.699 -9.875 -0.297 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.298 -11.599 1.207 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.245 -10.697 -2.542 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.836 -12.425 -1.042 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.313 -11.975 -2.919 1.00 0.00 H new ATOM 581 N ASP A 38 -0.390 -11.704 2.799 1.00 0.00 N ATOM 582 CA ASP A 38 0.801 -12.516 2.543 1.00 0.00 C ATOM 583 C ASP A 38 0.710 -13.818 3.318 1.00 0.00 C ATOM 584 O ASP A 38 1.017 -14.894 2.806 1.00 0.00 O ATOM 585 CB ASP A 38 2.052 -11.757 2.977 1.00 0.00 C ATOM 586 CG ASP A 38 3.333 -12.523 2.702 1.00 0.00 C ATOM 587 OD1 ASP A 38 3.604 -12.845 1.529 1.00 0.00 O ATOM 588 OD2 ASP A 38 4.089 -12.788 3.663 1.00 0.00 O ATOM 0 H ASP A 38 -0.192 -10.794 3.216 1.00 0.00 H new ATOM 0 HA ASP A 38 0.860 -12.730 1.476 1.00 0.00 H new ATOM 0 HB2 ASP A 38 2.088 -10.800 2.457 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.987 -11.539 4.043 1.00 0.00 H new ATOM 593 N LYS A 39 0.290 -13.693 4.566 1.00 0.00 N ATOM 594 CA LYS A 39 0.014 -14.845 5.425 1.00 0.00 C ATOM 595 C LYS A 39 -0.922 -15.833 4.726 1.00 0.00 C ATOM 596 O LYS A 39 -0.694 -17.045 4.751 1.00 0.00 O ATOM 597 CB LYS A 39 -0.607 -14.373 6.744 1.00 0.00 C ATOM 598 CG LYS A 39 -1.012 -15.494 7.690 1.00 0.00 C ATOM 599 CD LYS A 39 0.157 -16.404 8.022 1.00 0.00 C ATOM 600 CE LYS A 39 -0.257 -17.510 8.975 1.00 0.00 C ATOM 601 NZ LYS A 39 0.808 -18.533 9.115 1.00 0.00 N ATOM 0 H LYS A 39 0.129 -12.792 5.017 1.00 0.00 H new ATOM 0 HA LYS A 39 0.954 -15.355 5.633 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.105 -13.724 7.254 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.486 -13.768 6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.412 -15.067 8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.811 -16.080 7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.552 -16.841 7.105 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.961 -15.819 8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.484 -17.084 9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.170 -17.981 8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.493 -19.274 9.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.007 -18.956 8.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.672 -18.087 9.484 1.00 0.00 H new ATOM 615 N PHE A 40 -1.969 -15.299 4.098 1.00 0.00 N ATOM 616 CA PHE A 40 -2.929 -16.105 3.347 1.00 0.00 C ATOM 617 C PHE A 40 -2.250 -16.812 2.178 1.00 0.00 C ATOM 618 O PHE A 40 -2.541 -17.969 1.875 1.00 0.00 O ATOM 619 CB PHE A 40 -4.061 -15.210 2.835 1.00 0.00 C ATOM 620 CG PHE A 40 -5.003 -15.899 1.888 1.00 0.00 C ATOM 621 CD1 PHE A 40 -5.917 -16.829 2.350 1.00 0.00 C ATOM 622 CD2 PHE A 40 -4.973 -15.608 0.534 1.00 0.00 C ATOM 623 CE1 PHE A 40 -6.783 -17.460 1.478 1.00 0.00 C ATOM 624 CE2 PHE A 40 -5.835 -16.235 -0.341 1.00 0.00 C ATOM 625 CZ PHE A 40 -6.741 -17.162 0.132 1.00 0.00 C ATOM 0 H PHE A 40 -2.175 -14.300 4.096 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.339 -16.866 4.011 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.628 -14.835 3.687 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.628 -14.344 2.335 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -5.954 -17.064 3.403 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.267 -14.882 0.159 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.492 -18.185 1.850 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -5.801 -16.001 -1.395 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.417 -17.654 -0.552 1.00 0.00 H new ATOM 635 N LEU A 41 -1.334 -16.104 1.540 1.00 0.00 N ATOM 636 CA LEU A 41 -0.620 -16.620 0.380 1.00 0.00 C ATOM 637 C LEU A 41 0.386 -17.695 0.786 1.00 0.00 C ATOM 638 O LEU A 41 0.932 -18.400 -0.061 1.00 0.00 O ATOM 639 CB LEU A 41 0.092 -15.472 -0.332 1.00 0.00 C ATOM 640 CG LEU A 41 -0.819 -14.322 -0.767 1.00 0.00 C ATOM 641 CD1 LEU A 41 0.005 -13.136 -1.234 1.00 0.00 C ATOM 642 CD2 LEU A 41 -1.768 -14.776 -1.867 1.00 0.00 C ATOM 0 H LEU A 41 -1.063 -15.158 1.809 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.341 -17.077 -0.297 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.863 -15.076 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.599 -15.868 -1.212 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.413 -14.013 0.093 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.660 -12.328 -1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.643 -12.793 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.625 -13.434 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.407 -13.944 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.192 -15.114 -2.728 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.386 -15.595 -1.499 1.00 0.00 H new ATOM 654 N GLY A 42 0.625 -17.814 2.085 1.00 0.00 N ATOM 655 CA GLY A 42 1.537 -18.822 2.586 1.00 0.00 C ATOM 656 C GLY A 42 0.806 -20.040 3.117 1.00 0.00 C ATOM 657 O GLY A 42 1.223 -20.649 4.105 1.00 0.00 O ATOM 0 H GLY A 42 0.201 -17.227 2.804 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.215 -19.126 1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.150 -18.394 3.379 1.00 0.00 H new ATOM 661 N TYR A 43 -0.295 -20.386 2.469 1.00 0.00 N ATOM 662 CA TYR A 43 -1.087 -21.544 2.855 1.00 0.00 C ATOM 663 C TYR A 43 -1.082 -22.596 1.755 1.00 0.00 C ATOM 664 O TYR A 43 -0.473 -22.401 0.704 1.00 0.00 O ATOM 665 CB TYR A 43 -2.523 -21.125 3.164 1.00 0.00 C ATOM 666 CG TYR A 43 -2.714 -20.575 4.558 1.00 0.00 C ATOM 667 CD1 TYR A 43 -2.501 -21.381 5.666 1.00 0.00 C ATOM 668 CD2 TYR A 43 -3.127 -19.265 4.770 1.00 0.00 C ATOM 669 CE1 TYR A 43 -2.692 -20.900 6.945 1.00 0.00 C ATOM 670 CE2 TYR A 43 -3.317 -18.775 6.049 1.00 0.00 C ATOM 671 CZ TYR A 43 -3.103 -19.595 7.133 1.00 0.00 C ATOM 672 OH TYR A 43 -3.297 -19.110 8.411 1.00 0.00 O ATOM 0 H TYR A 43 -0.663 -19.876 1.666 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.640 -21.976 3.750 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.835 -20.371 2.441 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.179 -21.985 3.030 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.180 -22.403 5.525 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -3.302 -18.619 3.922 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -2.521 -21.542 7.796 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.632 -17.753 6.197 1.00 0.00 H new ATOM 0 HH TYR A 43 -4.031 -18.461 8.407 1.00 0.00 H new ATOM 682 N ASP A 44 -1.758 -23.713 2.004 1.00 0.00 N ATOM 683 CA ASP A 44 -1.864 -24.767 0.996 1.00 0.00 C ATOM 684 C ASP A 44 -2.696 -24.281 -0.174 1.00 0.00 C ATOM 685 O ASP A 44 -3.710 -23.611 0.026 1.00 0.00 O ATOM 686 CB ASP A 44 -2.515 -26.029 1.564 1.00 0.00 C ATOM 687 CG ASP A 44 -2.401 -27.204 0.612 1.00 0.00 C ATOM 688 OD1 ASP A 44 -3.232 -27.311 -0.312 1.00 0.00 O ATOM 689 OD2 ASP A 44 -1.467 -28.019 0.774 1.00 0.00 O ATOM 0 H ASP A 44 -2.236 -23.913 2.883 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.852 -25.010 0.672 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.044 -26.284 2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.567 -25.832 1.773 1.00 0.00 H new ATOM 694 N GLU A 45 -2.273 -24.631 -1.382 1.00 0.00 N ATOM 695 CA GLU A 45 -2.990 -24.252 -2.594 1.00 0.00 C ATOM 696 C GLU A 45 -4.468 -24.596 -2.493 1.00 0.00 C ATOM 697 O GLU A 45 -5.329 -23.802 -2.874 1.00 0.00 O ATOM 698 CB GLU A 45 -2.406 -24.967 -3.805 1.00 0.00 C ATOM 699 CG GLU A 45 -1.777 -24.035 -4.819 1.00 0.00 C ATOM 700 CD GLU A 45 -1.643 -24.684 -6.177 1.00 0.00 C ATOM 701 OE1 GLU A 45 -2.362 -24.273 -7.111 1.00 0.00 O ATOM 702 OE2 GLU A 45 -0.840 -25.631 -6.313 1.00 0.00 O ATOM 0 H GLU A 45 -1.430 -25.181 -1.549 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.881 -23.174 -2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.655 -25.681 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.195 -25.540 -4.292 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.382 -23.133 -4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.793 -23.726 -4.466 1.00 0.00 H new ATOM 709 N SER A 46 -4.758 -25.774 -1.960 1.00 0.00 N ATOM 710 CA SER A 46 -6.121 -26.259 -1.904 1.00 0.00 C ATOM 711 C SER A 46 -6.914 -25.491 -0.858 1.00 0.00 C ATOM 712 O SER A 46 -8.102 -25.227 -1.041 1.00 0.00 O ATOM 713 CB SER A 46 -6.150 -27.757 -1.601 1.00 0.00 C ATOM 714 OG SER A 46 -7.422 -28.308 -1.891 1.00 0.00 O ATOM 0 H SER A 46 -4.065 -26.408 -1.562 1.00 0.00 H new ATOM 0 HA SER A 46 -6.582 -26.098 -2.878 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.386 -28.266 -2.189 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.908 -27.924 -0.552 1.00 0.00 H new ATOM 0 HG SER A 46 -7.416 -29.267 -1.691 1.00 0.00 H new ATOM 720 N LYS A 47 -6.250 -25.090 0.221 1.00 0.00 N ATOM 721 CA LYS A 47 -6.933 -24.373 1.284 1.00 0.00 C ATOM 722 C LYS A 47 -7.185 -22.942 0.847 1.00 0.00 C ATOM 723 O LYS A 47 -8.216 -22.357 1.171 1.00 0.00 O ATOM 724 CB LYS A 47 -6.127 -24.427 2.586 1.00 0.00 C ATOM 725 CG LYS A 47 -5.986 -25.843 3.129 1.00 0.00 C ATOM 726 CD LYS A 47 -5.440 -25.887 4.550 1.00 0.00 C ATOM 727 CE LYS A 47 -3.989 -25.455 4.630 1.00 0.00 C ATOM 728 NZ LYS A 47 -3.311 -26.058 5.809 1.00 0.00 N ATOM 0 H LYS A 47 -5.255 -25.248 0.379 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.892 -24.852 1.480 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.136 -24.008 2.413 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.612 -23.801 3.335 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.959 -26.333 3.105 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.326 -26.412 2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.043 -25.241 5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.536 -26.900 4.941 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.469 -25.749 3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.934 -24.368 4.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.761 -25.327 6.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.024 -26.453 6.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.673 -26.816 5.493 1.00 0.00 H new ATOM 742 N ILE A 48 -6.245 -22.403 0.085 1.00 0.00 N ATOM 743 CA ILE A 48 -6.385 -21.080 -0.498 1.00 0.00 C ATOM 744 C ILE A 48 -7.574 -21.028 -1.456 1.00 0.00 C ATOM 745 O ILE A 48 -8.435 -20.153 -1.351 1.00 0.00 O ATOM 746 CB ILE A 48 -5.098 -20.688 -1.248 1.00 0.00 C ATOM 747 CG1 ILE A 48 -3.930 -20.579 -0.264 1.00 0.00 C ATOM 748 CG2 ILE A 48 -5.283 -19.388 -2.013 1.00 0.00 C ATOM 749 CD1 ILE A 48 -2.609 -20.241 -0.919 1.00 0.00 C ATOM 0 H ILE A 48 -5.368 -22.869 -0.145 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.560 -20.372 0.312 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.872 -21.468 -1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.163 -19.815 0.478 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.829 -21.523 0.271 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.358 -19.137 -2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.087 -19.505 -2.740 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.537 -18.589 -1.316 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.831 -20.181 -0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.352 -21.016 -1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.691 -19.282 -1.430 1.00 0.00 H new ATOM 761 N LYS A 49 -7.622 -21.981 -2.379 1.00 0.00 N ATOM 762 CA LYS A 49 -8.687 -22.031 -3.371 1.00 0.00 C ATOM 763 C LYS A 49 -10.041 -22.295 -2.723 1.00 0.00 C ATOM 764 O LYS A 49 -11.053 -21.741 -3.147 1.00 0.00 O ATOM 765 CB LYS A 49 -8.380 -23.092 -4.427 1.00 0.00 C ATOM 766 CG LYS A 49 -7.134 -22.771 -5.234 1.00 0.00 C ATOM 767 CD LYS A 49 -6.792 -23.870 -6.223 1.00 0.00 C ATOM 768 CE LYS A 49 -5.466 -23.585 -6.906 1.00 0.00 C ATOM 769 NZ LYS A 49 -5.082 -24.654 -7.867 1.00 0.00 N ATOM 0 H LYS A 49 -6.935 -22.730 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 49 -8.738 -21.057 -3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -8.253 -24.058 -3.939 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.231 -23.185 -5.102 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.283 -21.834 -5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.294 -22.620 -4.557 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.742 -24.828 -5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -7.581 -23.952 -6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.529 -22.633 -7.432 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -4.686 -23.481 -6.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.053 -24.799 -7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.565 -25.539 -7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.360 -24.372 -8.829 1.00 0.00 H new ATOM 783 N THR A 50 -10.055 -23.133 -1.693 1.00 0.00 N ATOM 784 CA THR A 50 -11.278 -23.410 -0.958 1.00 0.00 C ATOM 785 C THR A 50 -11.764 -22.154 -0.237 1.00 0.00 C ATOM 786 O THR A 50 -12.960 -21.863 -0.216 1.00 0.00 O ATOM 787 CB THR A 50 -11.075 -24.556 0.054 1.00 0.00 C ATOM 788 OG1 THR A 50 -10.658 -25.743 -0.634 1.00 0.00 O ATOM 789 CG2 THR A 50 -12.354 -24.842 0.824 1.00 0.00 C ATOM 0 H THR A 50 -9.233 -23.631 -1.350 1.00 0.00 H new ATOM 0 HA THR A 50 -12.035 -23.722 -1.678 1.00 0.00 H new ATOM 0 HB THR A 50 -10.306 -24.249 0.763 1.00 0.00 H new ATOM 0 HG1 THR A 50 -9.788 -25.587 -1.057 1.00 0.00 H new ATOM 0 HG21 THR A 50 -12.180 -25.654 1.530 1.00 0.00 H new ATOM 0 HG22 THR A 50 -12.659 -23.948 1.368 1.00 0.00 H new ATOM 0 HG23 THR A 50 -13.142 -25.129 0.127 1.00 0.00 H new ATOM 797 N ALA A 51 -10.825 -21.401 0.332 1.00 0.00 N ATOM 798 CA ALA A 51 -11.156 -20.158 1.010 1.00 0.00 C ATOM 799 C ALA A 51 -11.746 -19.151 0.033 1.00 0.00 C ATOM 800 O ALA A 51 -12.837 -18.631 0.258 1.00 0.00 O ATOM 801 CB ALA A 51 -9.927 -19.575 1.687 1.00 0.00 C ATOM 0 H ALA A 51 -9.832 -21.633 0.335 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.903 -20.377 1.773 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -10.195 -18.645 2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.544 -20.285 2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.160 -19.376 0.939 1.00 0.00 H new ATOM 807 N LEU A 52 -11.027 -18.900 -1.058 1.00 0.00 N ATOM 808 CA LEU A 52 -11.465 -17.944 -2.073 1.00 0.00 C ATOM 809 C LEU A 52 -12.830 -18.330 -2.638 1.00 0.00 C ATOM 810 O LEU A 52 -13.721 -17.490 -2.755 1.00 0.00 O ATOM 811 CB LEU A 52 -10.441 -17.861 -3.206 1.00 0.00 C ATOM 812 CG LEU A 52 -9.064 -17.334 -2.807 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.079 -17.504 -3.952 1.00 0.00 C ATOM 814 CD2 LEU A 52 -9.153 -15.871 -2.403 1.00 0.00 C ATOM 0 H LEU A 52 -10.134 -19.348 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.551 -16.968 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.320 -18.855 -3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -10.843 -17.220 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.708 -17.910 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.103 -17.124 -3.652 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.994 -18.561 -4.205 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.433 -16.950 -4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -8.164 -15.510 -2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.528 -15.284 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -9.831 -15.768 -1.556 1.00 0.00 H new ATOM 826 N ASP A 53 -12.992 -19.608 -2.967 1.00 0.00 N ATOM 827 CA ASP A 53 -14.242 -20.096 -3.534 1.00 0.00 C ATOM 828 C ASP A 53 -15.389 -19.920 -2.541 1.00 0.00 C ATOM 829 O ASP A 53 -16.506 -19.568 -2.923 1.00 0.00 O ATOM 830 CB ASP A 53 -14.119 -21.567 -3.939 1.00 0.00 C ATOM 831 CG ASP A 53 -15.356 -22.081 -4.652 1.00 0.00 C ATOM 832 OD1 ASP A 53 -15.370 -22.081 -5.904 1.00 0.00 O ATOM 833 OD2 ASP A 53 -16.318 -22.491 -3.970 1.00 0.00 O ATOM 0 H ASP A 53 -12.274 -20.323 -2.850 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.458 -19.508 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -13.252 -21.690 -4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -13.939 -22.171 -3.050 1.00 0.00 H new ATOM 838 N HIS A 54 -15.105 -20.150 -1.264 1.00 0.00 N ATOM 839 CA HIS A 54 -16.109 -19.974 -0.224 1.00 0.00 C ATOM 840 C HIS A 54 -16.453 -18.496 -0.054 1.00 0.00 C ATOM 841 O HIS A 54 -17.622 -18.136 0.063 1.00 0.00 O ATOM 842 CB HIS A 54 -15.633 -20.567 1.104 1.00 0.00 C ATOM 843 CG HIS A 54 -16.623 -20.395 2.205 1.00 0.00 C ATOM 844 ND1 HIS A 54 -17.756 -21.167 2.285 1.00 0.00 N ATOM 845 CD2 HIS A 54 -16.620 -19.502 3.214 1.00 0.00 C ATOM 846 CE1 HIS A 54 -18.418 -20.721 3.337 1.00 0.00 C ATOM 847 NE2 HIS A 54 -17.767 -19.714 3.933 1.00 0.00 N ATOM 0 H HIS A 54 -14.193 -20.457 -0.926 1.00 0.00 H new ATOM 0 HA HIS A 54 -17.009 -20.507 -0.531 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -15.428 -21.629 0.969 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -14.693 -20.095 1.391 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -15.860 -18.762 3.417 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -19.364 -21.118 3.674 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -18.067 -19.203 4.763 1.00 0.00 H new ATOM 855 N ILE A 55 -15.431 -17.648 -0.033 1.00 0.00 N ATOM 856 CA ILE A 55 -15.643 -16.205 0.002 1.00 0.00 C ATOM 857 C ILE A 55 -16.563 -15.790 -1.146 1.00 0.00 C ATOM 858 O ILE A 55 -17.516 -15.036 -0.951 1.00 0.00 O ATOM 859 CB ILE A 55 -14.309 -15.426 -0.097 1.00 0.00 C ATOM 860 CG1 ILE A 55 -13.402 -15.761 1.089 1.00 0.00 C ATOM 861 CG2 ILE A 55 -14.566 -13.929 -0.150 1.00 0.00 C ATOM 862 CD1 ILE A 55 -12.036 -15.109 1.015 1.00 0.00 C ATOM 0 H ILE A 55 -14.452 -17.933 -0.040 1.00 0.00 H new ATOM 0 HA ILE A 55 -16.105 -15.961 0.959 1.00 0.00 H new ATOM 0 HB ILE A 55 -13.808 -15.727 -1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -13.894 -15.450 2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -13.276 -16.842 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -13.616 -13.399 -0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -15.176 -13.695 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -15.090 -13.618 0.754 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.450 -15.392 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -11.523 -15.440 0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -12.151 -14.025 0.991 1.00 0.00 H new ATOM 874 N LYS A 56 -16.280 -16.316 -2.332 1.00 0.00 N ATOM 875 CA LYS A 56 -17.115 -16.087 -3.502 1.00 0.00 C ATOM 876 C LYS A 56 -18.533 -16.602 -3.269 1.00 0.00 C ATOM 877 O LYS A 56 -19.501 -15.948 -3.636 1.00 0.00 O ATOM 878 CB LYS A 56 -16.498 -16.770 -4.727 1.00 0.00 C ATOM 879 CG LYS A 56 -17.371 -16.719 -5.970 1.00 0.00 C ATOM 880 CD LYS A 56 -16.602 -17.166 -7.204 1.00 0.00 C ATOM 881 CE LYS A 56 -17.512 -17.312 -8.411 1.00 0.00 C ATOM 882 NZ LYS A 56 -18.471 -18.442 -8.260 1.00 0.00 N ATOM 0 H LYS A 56 -15.470 -16.910 -2.508 1.00 0.00 H new ATOM 0 HA LYS A 56 -17.169 -15.013 -3.681 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.540 -16.299 -4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.292 -17.812 -4.483 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -18.243 -17.358 -5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -17.740 -15.704 -6.117 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.817 -16.443 -7.425 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -16.111 -18.118 -7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.066 -16.385 -8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -16.906 -17.469 -9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -18.903 -18.656 -9.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.966 -19.282 -7.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -19.214 -18.178 -7.582 1.00 0.00 H new ATOM 896 N SER A 57 -18.641 -17.768 -2.645 1.00 0.00 N ATOM 897 CA SER A 57 -19.937 -18.362 -2.338 1.00 0.00 C ATOM 898 C SER A 57 -20.777 -17.418 -1.484 1.00 0.00 C ATOM 899 O SER A 57 -21.949 -17.168 -1.778 1.00 0.00 O ATOM 900 CB SER A 57 -19.744 -19.695 -1.608 1.00 0.00 C ATOM 901 OG SER A 57 -20.975 -20.199 -1.117 1.00 0.00 O ATOM 0 H SER A 57 -17.842 -18.324 -2.340 1.00 0.00 H new ATOM 0 HA SER A 57 -20.464 -18.539 -3.276 1.00 0.00 H new ATOM 0 HB2 SER A 57 -19.296 -20.421 -2.286 1.00 0.00 H new ATOM 0 HB3 SER A 57 -19.048 -19.561 -0.780 1.00 0.00 H new ATOM 0 HG SER A 57 -21.139 -19.844 -0.218 1.00 0.00 H new ATOM 907 N GLU A 58 -20.169 -16.899 -0.428 1.00 0.00 N ATOM 908 CA GLU A 58 -20.854 -16.008 0.484 1.00 0.00 C ATOM 909 C GLU A 58 -21.131 -14.657 -0.169 1.00 0.00 C ATOM 910 O GLU A 58 -22.223 -14.105 -0.029 1.00 0.00 O ATOM 911 CB GLU A 58 -20.029 -15.838 1.760 1.00 0.00 C ATOM 912 CG GLU A 58 -19.735 -17.156 2.461 1.00 0.00 C ATOM 913 CD GLU A 58 -20.971 -18.021 2.611 1.00 0.00 C ATOM 914 OE1 GLU A 58 -21.741 -17.801 3.567 1.00 0.00 O ATOM 915 OE2 GLU A 58 -21.178 -18.925 1.766 1.00 0.00 O ATOM 0 H GLU A 58 -19.196 -17.084 -0.184 1.00 0.00 H new ATOM 0 HA GLU A 58 -21.817 -16.449 0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.088 -15.346 1.514 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -20.563 -15.180 2.446 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -18.979 -17.703 1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.315 -16.954 3.446 1.00 0.00 H new ATOM 922 N LEU A 59 -20.160 -14.139 -0.905 1.00 0.00 N ATOM 923 CA LEU A 59 -20.307 -12.838 -1.549 1.00 0.00 C ATOM 924 C LEU A 59 -21.281 -12.893 -2.723 1.00 0.00 C ATOM 925 O LEU A 59 -21.824 -11.867 -3.134 1.00 0.00 O ATOM 926 CB LEU A 59 -18.947 -12.313 -2.007 1.00 0.00 C ATOM 927 CG LEU A 59 -18.026 -11.854 -0.874 1.00 0.00 C ATOM 928 CD1 LEU A 59 -16.733 -11.291 -1.431 1.00 0.00 C ATOM 929 CD2 LEU A 59 -18.721 -10.818 -0.003 1.00 0.00 C ATOM 0 H LEU A 59 -19.264 -14.596 -1.072 1.00 0.00 H new ATOM 0 HA LEU A 59 -20.722 -12.151 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -18.442 -13.096 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -19.106 -11.478 -2.689 1.00 0.00 H new ATOM 0 HG LEU A 59 -17.789 -12.721 -0.257 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -16.092 -10.970 -0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -16.222 -12.059 -2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -16.954 -10.438 -2.073 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -18.049 -10.505 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -18.990 -9.954 -0.610 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -19.622 -11.252 0.430 1.00 0.00 H new ATOM 941 N ASP A 60 -21.507 -14.088 -3.250 1.00 0.00 N ATOM 942 CA ASP A 60 -22.456 -14.284 -4.346 1.00 0.00 C ATOM 943 C ASP A 60 -23.890 -14.169 -3.834 1.00 0.00 C ATOM 944 O ASP A 60 -24.827 -13.950 -4.601 1.00 0.00 O ATOM 945 CB ASP A 60 -22.223 -15.646 -5.005 1.00 0.00 C ATOM 946 CG ASP A 60 -23.074 -15.872 -6.239 1.00 0.00 C ATOM 947 OD1 ASP A 60 -23.798 -16.891 -6.286 1.00 0.00 O ATOM 948 OD2 ASP A 60 -23.012 -15.044 -7.170 1.00 0.00 O ATOM 0 H ASP A 60 -21.046 -14.942 -2.937 1.00 0.00 H new ATOM 0 HA ASP A 60 -22.298 -13.506 -5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -21.171 -15.734 -5.277 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -22.432 -16.433 -4.280 1.00 0.00 H new ATOM 953 N LYS A 61 -24.052 -14.309 -2.523 1.00 0.00 N ATOM 954 CA LYS A 61 -25.344 -14.095 -1.878 1.00 0.00 C ATOM 955 C LYS A 61 -25.638 -12.601 -1.807 1.00 0.00 C ATOM 956 O LYS A 61 -26.792 -12.172 -1.809 1.00 0.00 O ATOM 957 CB LYS A 61 -25.332 -14.659 -0.456 1.00 0.00 C ATOM 958 CG LYS A 61 -24.950 -16.126 -0.364 1.00 0.00 C ATOM 959 CD LYS A 61 -24.599 -16.505 1.067 1.00 0.00 C ATOM 960 CE LYS A 61 -24.292 -17.984 1.201 1.00 0.00 C ATOM 961 NZ LYS A 61 -25.512 -18.814 1.038 1.00 0.00 N ATOM 0 H LYS A 61 -23.302 -14.571 -1.883 1.00 0.00 H new ATOM 0 HA LYS A 61 -26.110 -14.604 -2.463 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -24.635 -14.077 0.147 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -26.321 -14.526 -0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -25.776 -16.744 -0.716 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -24.100 -16.327 -1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -23.737 -15.924 1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -25.428 -16.245 1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -23.553 -18.272 0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -23.848 -18.177 2.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -25.296 -19.801 1.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -26.261 -18.456 1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -25.834 -18.767 0.050 1.00 0.00 H new ATOM 975 N CYS A 62 -24.574 -11.818 -1.750 1.00 0.00 N ATOM 976 CA CYS A 62 -24.679 -10.390 -1.520 1.00 0.00 C ATOM 977 C CYS A 62 -24.750 -9.634 -2.840 1.00 0.00 C ATOM 978 O CYS A 62 -23.736 -9.174 -3.366 1.00 0.00 O ATOM 979 CB CYS A 62 -23.482 -9.915 -0.697 1.00 0.00 C ATOM 980 SG CYS A 62 -22.971 -11.096 0.596 1.00 0.00 S ATOM 0 H CYS A 62 -23.617 -12.154 -1.862 1.00 0.00 H new ATOM 0 HA CYS A 62 -25.597 -10.189 -0.968 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -22.640 -9.734 -1.366 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -23.728 -8.961 -0.230 1.00 0.00 H new ATOM 985 N ASN A 63 -25.950 -9.541 -3.391 1.00 0.00 N ATOM 986 CA ASN A 63 -26.161 -8.828 -4.645 1.00 0.00 C ATOM 987 C ASN A 63 -27.336 -7.861 -4.535 1.00 0.00 C ATOM 988 O ASN A 63 -27.848 -7.370 -5.541 1.00 0.00 O ATOM 989 CB ASN A 63 -26.370 -9.821 -5.797 1.00 0.00 C ATOM 990 CG ASN A 63 -27.359 -10.925 -5.467 1.00 0.00 C ATOM 991 OD1 ASN A 63 -28.312 -10.727 -4.709 1.00 0.00 O ATOM 992 ND2 ASN A 63 -27.126 -12.104 -6.022 1.00 0.00 N ATOM 0 H ASN A 63 -26.794 -9.950 -2.991 1.00 0.00 H new ATOM 0 HA ASN A 63 -25.269 -8.240 -4.858 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -26.721 -9.279 -6.675 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -25.411 -10.268 -6.060 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -27.746 -12.890 -5.828 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -26.326 -12.226 -6.644 1.00 0.00 H new ATOM 999 N GLY A 64 -27.742 -7.579 -3.302 1.00 0.00 N ATOM 1000 CA GLY A 64 -28.797 -6.611 -3.063 1.00 0.00 C ATOM 1001 C GLY A 64 -28.239 -5.255 -2.670 1.00 0.00 C ATOM 1002 O GLY A 64 -27.122 -4.906 -3.051 1.00 0.00 O ATOM 0 H GLY A 64 -27.357 -8.006 -2.459 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -29.405 -6.507 -3.961 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -29.454 -6.977 -2.274 1.00 0.00 H new ATOM 1006 N ASN A 65 -28.994 -4.497 -1.888 1.00 0.00 N ATOM 1007 CA ASN A 65 -28.545 -3.176 -1.451 1.00 0.00 C ATOM 1008 C ASN A 65 -27.597 -3.293 -0.265 1.00 0.00 C ATOM 1009 O ASN A 65 -27.003 -2.310 0.176 1.00 0.00 O ATOM 1010 CB ASN A 65 -29.731 -2.283 -1.077 1.00 0.00 C ATOM 1011 CG ASN A 65 -30.542 -1.849 -2.279 1.00 0.00 C ATOM 1012 OD1 ASN A 65 -31.517 -2.500 -2.659 1.00 0.00 O ATOM 1013 ND2 ASN A 65 -30.137 -0.751 -2.894 1.00 0.00 N ATOM 0 H ASN A 65 -29.915 -4.768 -1.543 1.00 0.00 H new ATOM 0 HA ASN A 65 -28.015 -2.718 -2.286 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -30.378 -2.819 -0.382 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -29.364 -1.400 -0.554 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -30.637 -0.413 -3.716 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -29.325 -0.242 -2.546 1.00 0.00 H new ATOM 1020 N ASP A 66 -27.463 -4.502 0.249 1.00 0.00 N ATOM 1021 CA ASP A 66 -26.593 -4.768 1.385 1.00 0.00 C ATOM 1022 C ASP A 66 -25.206 -5.186 0.916 1.00 0.00 C ATOM 1023 O ASP A 66 -24.315 -5.413 1.723 1.00 0.00 O ATOM 1024 CB ASP A 66 -27.184 -5.887 2.247 1.00 0.00 C ATOM 1025 CG ASP A 66 -28.584 -5.582 2.736 1.00 0.00 C ATOM 1026 OD1 ASP A 66 -28.731 -5.179 3.907 1.00 0.00 O ATOM 1027 OD2 ASP A 66 -29.537 -5.743 1.949 1.00 0.00 O ATOM 0 H ASP A 66 -27.951 -5.325 -0.105 1.00 0.00 H new ATOM 0 HA ASP A 66 -26.512 -3.852 1.970 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -27.200 -6.812 1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -26.535 -6.058 3.106 1.00 0.00 H new ATOM 1032 N ALA A 67 -25.022 -5.244 -0.397 1.00 0.00 N ATOM 1033 CA ALA A 67 -23.855 -5.890 -0.985 1.00 0.00 C ATOM 1034 C ALA A 67 -22.550 -5.269 -0.508 1.00 0.00 C ATOM 1035 O ALA A 67 -21.745 -5.931 0.141 1.00 0.00 O ATOM 1036 CB ALA A 67 -23.942 -5.842 -2.501 1.00 0.00 C ATOM 0 H ALA A 67 -25.670 -4.849 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 67 -23.855 -6.929 -0.654 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -23.066 -6.327 -2.931 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -24.842 -6.361 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -23.980 -4.804 -2.831 1.00 0.00 H new ATOM 1042 N ASP A 68 -22.365 -3.996 -0.814 1.00 0.00 N ATOM 1043 CA ASP A 68 -21.125 -3.290 -0.501 1.00 0.00 C ATOM 1044 C ASP A 68 -20.822 -3.295 0.990 1.00 0.00 C ATOM 1045 O ASP A 68 -19.672 -3.478 1.400 1.00 0.00 O ATOM 1046 CB ASP A 68 -21.209 -1.855 -0.999 1.00 0.00 C ATOM 1047 CG ASP A 68 -20.829 -1.729 -2.462 1.00 0.00 C ATOM 1048 OD1 ASP A 68 -19.689 -1.314 -2.748 1.00 0.00 O ATOM 1049 OD2 ASP A 68 -21.665 -2.050 -3.332 1.00 0.00 O ATOM 0 H ASP A 68 -23.064 -3.421 -1.284 1.00 0.00 H new ATOM 0 HA ASP A 68 -20.314 -3.815 -1.005 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.223 -1.482 -0.856 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.551 -1.226 -0.400 1.00 0.00 H new ATOM 1054 N GLN A 69 -21.848 -3.099 1.802 1.00 0.00 N ATOM 1055 CA GLN A 69 -21.663 -3.041 3.238 1.00 0.00 C ATOM 1056 C GLN A 69 -21.294 -4.413 3.783 1.00 0.00 C ATOM 1057 O GLN A 69 -20.342 -4.542 4.551 1.00 0.00 O ATOM 1058 CB GLN A 69 -22.916 -2.512 3.940 1.00 0.00 C ATOM 1059 CG GLN A 69 -22.667 -2.175 5.400 1.00 0.00 C ATOM 1060 CD GLN A 69 -21.587 -1.123 5.560 1.00 0.00 C ATOM 1061 OE1 GLN A 69 -21.867 0.076 5.618 1.00 0.00 O ATOM 1062 NE2 GLN A 69 -20.344 -1.565 5.614 1.00 0.00 N ATOM 0 H GLN A 69 -22.812 -2.978 1.491 1.00 0.00 H new ATOM 0 HA GLN A 69 -20.846 -2.349 3.440 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -23.271 -1.622 3.421 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -23.708 -3.258 3.873 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -23.592 -1.818 5.853 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -22.377 -3.078 5.937 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -20.156 -2.566 5.563 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -19.572 -0.905 5.707 1.00 0.00 H new ATOM 1071 N GLN A 70 -22.033 -5.435 3.363 1.00 0.00 N ATOM 1072 CA GLN A 70 -21.771 -6.794 3.810 1.00 0.00 C ATOM 1073 C GLN A 70 -20.386 -7.244 3.367 1.00 0.00 C ATOM 1074 O GLN A 70 -19.696 -7.937 4.103 1.00 0.00 O ATOM 1075 CB GLN A 70 -22.835 -7.747 3.275 1.00 0.00 C ATOM 1076 CG GLN A 70 -24.229 -7.475 3.823 1.00 0.00 C ATOM 1077 CD GLN A 70 -24.384 -7.821 5.295 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -25.165 -7.190 6.008 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -23.661 -8.831 5.756 1.00 0.00 N ATOM 0 H GLN A 70 -22.816 -5.346 2.715 1.00 0.00 H new ATOM 0 HA GLN A 70 -21.808 -6.810 4.899 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -22.861 -7.675 2.188 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -22.551 -8.770 3.520 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -24.467 -6.421 3.679 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -24.955 -8.047 3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -23.025 -9.329 5.133 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -23.740 -9.111 6.734 1.00 0.00 H new ATOM 1088 N LYS A 71 -19.984 -6.832 2.165 1.00 0.00 N ATOM 1089 CA LYS A 71 -18.632 -7.094 1.672 1.00 0.00 C ATOM 1090 C LYS A 71 -17.601 -6.514 2.626 1.00 0.00 C ATOM 1091 O LYS A 71 -16.664 -7.194 3.036 1.00 0.00 O ATOM 1092 CB LYS A 71 -18.420 -6.476 0.285 1.00 0.00 C ATOM 1093 CG LYS A 71 -19.148 -7.186 -0.842 1.00 0.00 C ATOM 1094 CD LYS A 71 -18.972 -6.441 -2.155 1.00 0.00 C ATOM 1095 CE LYS A 71 -19.564 -7.208 -3.326 1.00 0.00 C ATOM 1096 NZ LYS A 71 -19.400 -6.470 -4.607 1.00 0.00 N ATOM 0 H LYS A 71 -20.576 -6.315 1.514 1.00 0.00 H new ATOM 0 HA LYS A 71 -18.511 -8.175 1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -18.745 -5.436 0.312 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -17.353 -6.470 0.064 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -18.768 -8.203 -0.942 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -20.209 -7.264 -0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -19.448 -5.463 -2.084 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.911 -6.267 -2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -19.082 -8.183 -3.403 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -20.623 -7.390 -3.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -19.816 -7.024 -5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -19.881 -5.550 -4.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -18.388 -6.319 -4.793 1.00 0.00 H new ATOM 1110 N THR A 72 -17.799 -5.254 2.981 1.00 0.00 N ATOM 1111 CA THR A 72 -16.864 -4.539 3.833 1.00 0.00 C ATOM 1112 C THR A 72 -16.799 -5.157 5.231 1.00 0.00 C ATOM 1113 O THR A 72 -15.727 -5.265 5.828 1.00 0.00 O ATOM 1114 CB THR A 72 -17.253 -3.052 3.938 1.00 0.00 C ATOM 1115 OG1 THR A 72 -17.397 -2.496 2.622 1.00 0.00 O ATOM 1116 CG2 THR A 72 -16.204 -2.268 4.707 1.00 0.00 C ATOM 0 H THR A 72 -18.606 -4.703 2.689 1.00 0.00 H new ATOM 0 HA THR A 72 -15.878 -4.619 3.376 1.00 0.00 H new ATOM 0 HB THR A 72 -18.199 -2.983 4.475 1.00 0.00 H new ATOM 0 HG1 THR A 72 -18.274 -2.740 2.258 1.00 0.00 H new ATOM 0 HG21 THR A 72 -16.503 -1.222 4.767 1.00 0.00 H new ATOM 0 HG22 THR A 72 -16.110 -2.676 5.713 1.00 0.00 H new ATOM 0 HG23 THR A 72 -15.245 -2.343 4.194 1.00 0.00 H new ATOM 1124 N THR A 73 -17.942 -5.573 5.748 1.00 0.00 N ATOM 1125 CA THR A 73 -17.990 -6.193 7.061 1.00 0.00 C ATOM 1126 C THR A 73 -17.475 -7.633 7.000 1.00 0.00 C ATOM 1127 O THR A 73 -16.880 -8.133 7.957 1.00 0.00 O ATOM 1128 CB THR A 73 -19.421 -6.158 7.630 1.00 0.00 C ATOM 1129 OG1 THR A 73 -19.948 -4.829 7.506 1.00 0.00 O ATOM 1130 CG2 THR A 73 -19.443 -6.582 9.092 1.00 0.00 C ATOM 0 H THR A 73 -18.846 -5.493 5.281 1.00 0.00 H new ATOM 0 HA THR A 73 -17.341 -5.623 7.727 1.00 0.00 H new ATOM 0 HB THR A 73 -20.035 -6.859 7.064 1.00 0.00 H new ATOM 0 HG1 THR A 73 -20.159 -4.647 6.566 1.00 0.00 H new ATOM 0 HG21 THR A 73 -20.466 -6.547 9.466 1.00 0.00 H new ATOM 0 HG22 THR A 73 -19.058 -7.598 9.182 1.00 0.00 H new ATOM 0 HG23 THR A 73 -18.820 -5.905 9.677 1.00 0.00 H new ATOM 1138 N PHE A 74 -17.675 -8.280 5.855 1.00 0.00 N ATOM 1139 CA PHE A 74 -17.203 -9.643 5.643 1.00 0.00 C ATOM 1140 C PHE A 74 -15.684 -9.675 5.681 1.00 0.00 C ATOM 1141 O PHE A 74 -15.087 -10.643 6.142 1.00 0.00 O ATOM 1142 CB PHE A 74 -17.711 -10.178 4.302 1.00 0.00 C ATOM 1143 CG PHE A 74 -17.526 -11.659 4.111 1.00 0.00 C ATOM 1144 CD1 PHE A 74 -17.080 -12.159 2.899 1.00 0.00 C ATOM 1145 CD2 PHE A 74 -17.813 -12.550 5.134 1.00 0.00 C ATOM 1146 CE1 PHE A 74 -16.928 -13.517 2.706 1.00 0.00 C ATOM 1147 CE2 PHE A 74 -17.658 -13.912 4.949 1.00 0.00 C ATOM 1148 CZ PHE A 74 -17.216 -14.396 3.731 1.00 0.00 C ATOM 0 H PHE A 74 -18.164 -7.878 5.055 1.00 0.00 H new ATOM 0 HA PHE A 74 -17.591 -10.279 6.439 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -18.771 -9.942 4.209 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -17.196 -9.653 3.497 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -16.848 -11.477 2.094 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -18.161 -12.176 6.086 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -16.584 -13.892 1.753 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -17.882 -14.596 5.754 1.00 0.00 H new ATOM 0 HZ PHE A 74 -17.096 -15.459 3.582 1.00 0.00 H new ATOM 1158 N LYS A 75 -15.070 -8.595 5.206 1.00 0.00 N ATOM 1159 CA LYS A 75 -13.627 -8.435 5.262 1.00 0.00 C ATOM 1160 C LYS A 75 -13.112 -8.649 6.682 1.00 0.00 C ATOM 1161 O LYS A 75 -12.113 -9.332 6.898 1.00 0.00 O ATOM 1162 CB LYS A 75 -13.248 -7.034 4.783 1.00 0.00 C ATOM 1163 CG LYS A 75 -13.542 -6.788 3.313 1.00 0.00 C ATOM 1164 CD LYS A 75 -13.204 -5.364 2.907 1.00 0.00 C ATOM 1165 CE LYS A 75 -13.173 -5.217 1.393 1.00 0.00 C ATOM 1166 NZ LYS A 75 -12.786 -3.845 0.963 1.00 0.00 N ATOM 0 H LYS A 75 -15.560 -7.811 4.774 1.00 0.00 H new ATOM 0 HA LYS A 75 -13.170 -9.182 4.613 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.787 -6.298 5.380 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.185 -6.874 4.963 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.968 -7.487 2.704 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.596 -6.983 3.114 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.940 -4.679 3.327 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.236 -5.085 3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.470 -5.937 0.975 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.155 -5.458 0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.342 -3.888 0.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.633 -3.243 0.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.112 -3.444 1.646 1.00 0.00 H new ATOM 1180 N GLN A 76 -13.828 -8.083 7.642 1.00 0.00 N ATOM 1181 CA GLN A 76 -13.463 -8.169 9.039 1.00 0.00 C ATOM 1182 C GLN A 76 -13.675 -9.584 9.566 1.00 0.00 C ATOM 1183 O GLN A 76 -12.893 -10.080 10.376 1.00 0.00 O ATOM 1184 CB GLN A 76 -14.304 -7.171 9.823 1.00 0.00 C ATOM 1185 CG GLN A 76 -13.928 -5.723 9.564 1.00 0.00 C ATOM 1186 CD GLN A 76 -14.983 -4.753 10.048 1.00 0.00 C ATOM 1187 OE1 GLN A 76 -14.979 -4.341 11.204 1.00 0.00 O ATOM 1188 NE2 GLN A 76 -15.889 -4.374 9.160 1.00 0.00 N ATOM 0 H GLN A 76 -14.680 -7.550 7.468 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.406 -7.930 9.157 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.354 -7.316 9.570 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.201 -7.379 10.888 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.982 -5.503 10.059 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -13.769 -5.578 8.495 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.856 -4.741 8.209 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.620 -3.715 9.427 1.00 0.00 H new ATOM 1197 N THR A 77 -14.733 -10.227 9.091 1.00 0.00 N ATOM 1198 CA THR A 77 -15.029 -11.598 9.467 1.00 0.00 C ATOM 1199 C THR A 77 -13.950 -12.545 8.946 1.00 0.00 C ATOM 1200 O THR A 77 -13.491 -13.440 9.657 1.00 0.00 O ATOM 1201 CB THR A 77 -16.402 -12.022 8.912 1.00 0.00 C ATOM 1202 OG1 THR A 77 -17.408 -11.102 9.364 1.00 0.00 O ATOM 1203 CG2 THR A 77 -16.756 -13.435 9.357 1.00 0.00 C ATOM 0 H THR A 77 -15.403 -9.816 8.441 1.00 0.00 H new ATOM 0 HA THR A 77 -15.051 -11.653 10.555 1.00 0.00 H new ATOM 0 HB THR A 77 -16.355 -12.009 7.823 1.00 0.00 H new ATOM 0 HG1 THR A 77 -18.281 -11.371 9.009 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.730 -13.711 8.952 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.001 -14.131 8.992 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.791 -13.476 10.446 1.00 0.00 H new ATOM 1211 N VAL A 78 -13.537 -12.324 7.705 1.00 0.00 N ATOM 1212 CA VAL A 78 -12.529 -13.160 7.074 1.00 0.00 C ATOM 1213 C VAL A 78 -11.161 -12.967 7.734 1.00 0.00 C ATOM 1214 O VAL A 78 -10.363 -13.905 7.812 1.00 0.00 O ATOM 1215 CB VAL A 78 -12.437 -12.880 5.561 1.00 0.00 C ATOM 1216 CG1 VAL A 78 -11.384 -13.757 4.915 1.00 0.00 C ATOM 1217 CG2 VAL A 78 -13.785 -13.106 4.894 1.00 0.00 C ATOM 0 H VAL A 78 -13.887 -11.569 7.115 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.834 -14.197 7.211 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.149 -11.837 5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.337 -13.542 3.847 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.414 -13.555 5.369 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.643 -14.805 5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -13.701 -12.904 3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.096 -14.140 5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.525 -12.437 5.333 1.00 0.00 H new ATOM 1227 N GLN A 79 -10.900 -11.753 8.231 1.00 0.00 N ATOM 1228 CA GLN A 79 -9.676 -11.469 8.968 1.00 0.00 C ATOM 1229 C GLN A 79 -9.527 -12.422 10.147 1.00 0.00 C ATOM 1230 O GLN A 79 -8.474 -13.031 10.339 1.00 0.00 O ATOM 1231 CB GLN A 79 -9.680 -10.031 9.482 1.00 0.00 C ATOM 1232 CG GLN A 79 -9.428 -8.983 8.416 1.00 0.00 C ATOM 1233 CD GLN A 79 -9.410 -7.577 8.986 1.00 0.00 C ATOM 1234 OE1 GLN A 79 -9.043 -7.364 10.143 1.00 0.00 O ATOM 1235 NE2 GLN A 79 -9.798 -6.609 8.178 1.00 0.00 N ATOM 0 H GLN A 79 -11.525 -10.953 8.133 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.836 -11.605 8.287 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -10.642 -9.829 9.952 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -8.920 -9.933 10.257 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.476 -9.187 7.927 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -10.201 -9.053 7.651 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.095 -6.827 7.227 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -9.801 -5.643 8.505 1.00 0.00 H new ATOM 1244 N GLY A 80 -10.607 -12.579 10.905 1.00 0.00 N ATOM 1245 CA GLY A 80 -10.578 -13.416 12.089 1.00 0.00 C ATOM 1246 C GLY A 80 -10.704 -14.887 11.756 1.00 0.00 C ATOM 1247 O GLY A 80 -10.853 -15.726 12.644 1.00 0.00 O ATOM 0 H GLY A 80 -11.508 -12.138 10.718 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.646 -13.246 12.628 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -11.390 -13.126 12.756 1.00 0.00 H new ATOM 1251 N ALA A 81 -10.660 -15.193 10.470 1.00 0.00 N ATOM 1252 CA ALA A 81 -10.711 -16.566 10.022 1.00 0.00 C ATOM 1253 C ALA A 81 -9.364 -17.006 9.449 1.00 0.00 C ATOM 1254 O ALA A 81 -8.815 -18.029 9.855 1.00 0.00 O ATOM 1255 CB ALA A 81 -11.819 -16.746 8.997 1.00 0.00 C ATOM 0 H ALA A 81 -10.589 -14.505 9.720 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.929 -17.199 10.882 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -11.846 -17.785 8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -12.777 -16.483 9.446 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -11.630 -16.099 8.140 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.818 -16.212 8.529 1.00 0.00 N ATOM 1262 CA LEU A 82 -7.578 -16.578 7.842 1.00 0.00 C ATOM 1263 C LEU A 82 -6.366 -16.424 8.737 1.00 0.00 C ATOM 1264 O LEU A 82 -5.403 -17.190 8.649 1.00 0.00 O ATOM 1265 CB LEU A 82 -7.385 -15.741 6.577 1.00 0.00 C ATOM 1266 CG LEU A 82 -8.452 -15.921 5.499 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -8.148 -15.029 4.310 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -8.531 -17.372 5.062 1.00 0.00 C ATOM 0 H LEU A 82 -9.211 -15.316 8.242 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.671 -17.629 7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.354 -14.689 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.414 -15.984 6.146 1.00 0.00 H new ATOM 0 HG LEU A 82 -9.418 -15.635 5.916 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.915 -15.165 3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.136 -13.987 4.630 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.174 -15.293 3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -9.297 -17.479 4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.567 -17.684 4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.786 -17.996 5.918 1.00 0.00 H new ATOM 1280 N SER A 83 -6.432 -15.442 9.598 1.00 0.00 N ATOM 1281 CA SER A 83 -5.321 -15.123 10.483 1.00 0.00 C ATOM 1282 C SER A 83 -5.245 -16.148 11.612 1.00 0.00 C ATOM 1283 O SER A 83 -4.174 -16.415 12.158 1.00 0.00 O ATOM 1284 CB SER A 83 -5.469 -13.704 11.045 1.00 0.00 C ATOM 1285 OG SER A 83 -4.271 -13.262 11.666 1.00 0.00 O ATOM 0 H SER A 83 -7.247 -14.840 9.712 1.00 0.00 H new ATOM 0 HA SER A 83 -4.393 -15.163 9.912 1.00 0.00 H new ATOM 0 HB2 SER A 83 -5.737 -13.019 10.240 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.284 -13.681 11.768 1.00 0.00 H new ATOM 0 HG SER A 83 -3.991 -12.411 11.268 1.00 0.00 H new ATOM 1291 N GLY A 84 -6.390 -16.730 11.946 1.00 0.00 N ATOM 1292 CA GLY A 84 -6.427 -17.778 12.942 1.00 0.00 C ATOM 1293 C GLY A 84 -6.045 -19.120 12.355 1.00 0.00 C ATOM 1294 O GLY A 84 -5.207 -19.832 12.906 1.00 0.00 O ATOM 0 H GLY A 84 -7.296 -16.492 11.542 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.747 -17.530 13.757 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.428 -17.839 13.369 1.00 0.00 H new ATOM 1298 N GLY A 85 -6.653 -19.461 11.225 1.00 0.00 N ATOM 1299 CA GLY A 85 -6.339 -20.706 10.562 1.00 0.00 C ATOM 1300 C GLY A 85 -7.269 -20.990 9.407 1.00 0.00 C ATOM 1301 O GLY A 85 -8.472 -21.168 9.594 1.00 0.00 O ATOM 0 H GLY A 85 -7.360 -18.893 10.757 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.312 -20.673 10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.397 -21.523 11.281 1.00 0.00 H new ATOM 1305 N ILE A 86 -6.708 -21.045 8.210 1.00 0.00 N ATOM 1306 CA ILE A 86 -7.476 -21.330 7.008 1.00 0.00 C ATOM 1307 C ILE A 86 -7.871 -22.804 6.976 1.00 0.00 C ATOM 1308 O ILE A 86 -8.724 -23.226 6.195 1.00 0.00 O ATOM 1309 CB ILE A 86 -6.643 -21.000 5.758 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -7.546 -20.780 4.547 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -5.650 -22.116 5.476 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -6.788 -20.381 3.304 1.00 0.00 C ATOM 0 H ILE A 86 -5.713 -20.894 8.044 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.375 -20.714 7.016 1.00 0.00 H new ATOM 0 HB ILE A 86 -6.093 -20.078 5.948 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.103 -21.695 4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -8.277 -20.007 4.783 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.067 -21.869 4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -4.981 -22.232 6.329 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.189 -23.049 5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -7.488 -20.240 2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -6.252 -19.450 3.488 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -6.076 -21.164 3.045 1.00 0.00 H new ATOM 1324 N ASP A 87 -7.243 -23.570 7.857 1.00 0.00 N ATOM 1325 CA ASP A 87 -7.435 -25.011 7.924 1.00 0.00 C ATOM 1326 C ASP A 87 -8.843 -25.332 8.413 1.00 0.00 C ATOM 1327 O ASP A 87 -9.334 -26.450 8.264 1.00 0.00 O ATOM 1328 CB ASP A 87 -6.390 -25.611 8.866 1.00 0.00 C ATOM 1329 CG ASP A 87 -5.995 -27.019 8.484 1.00 0.00 C ATOM 1330 OD1 ASP A 87 -6.533 -27.976 9.078 1.00 0.00 O ATOM 1331 OD2 ASP A 87 -5.117 -27.170 7.606 1.00 0.00 O ATOM 0 H ASP A 87 -6.585 -23.208 8.547 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.314 -25.443 6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.503 -24.978 8.867 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.782 -25.612 9.883 1.00 0.00 H new ATOM 1336 N GLY A 88 -9.481 -24.334 9.012 1.00 0.00 N ATOM 1337 CA GLY A 88 -10.855 -24.473 9.446 1.00 0.00 C ATOM 1338 C GLY A 88 -11.728 -23.382 8.872 1.00 0.00 C ATOM 1339 O GLY A 88 -12.706 -22.966 9.491 1.00 0.00 O ATOM 0 H GLY A 88 -9.065 -23.423 9.206 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.238 -25.446 9.140 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.899 -24.441 10.535 1.00 0.00 H new ATOM 1343 N PHE A 89 -11.362 -22.906 7.688 1.00 0.00 N ATOM 1344 CA PHE A 89 -12.105 -21.848 7.027 1.00 0.00 C ATOM 1345 C PHE A 89 -13.277 -22.440 6.262 1.00 0.00 C ATOM 1346 O PHE A 89 -13.096 -23.292 5.391 1.00 0.00 O ATOM 1347 CB PHE A 89 -11.195 -21.067 6.073 1.00 0.00 C ATOM 1348 CG PHE A 89 -11.831 -19.832 5.495 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -12.546 -19.885 4.310 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -11.707 -18.616 6.142 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -13.129 -18.747 3.786 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -12.286 -17.475 5.622 1.00 0.00 C ATOM 1353 CZ PHE A 89 -12.996 -17.539 4.443 1.00 0.00 C ATOM 0 H PHE A 89 -10.551 -23.240 7.167 1.00 0.00 H new ATOM 0 HA PHE A 89 -12.482 -21.161 7.784 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -10.288 -20.781 6.605 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.892 -21.723 5.257 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -12.649 -20.826 3.790 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -11.150 -18.558 7.066 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -13.688 -18.802 2.864 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -12.182 -16.533 6.139 1.00 0.00 H new ATOM 0 HZ PHE A 89 -13.447 -16.647 4.034 1.00 0.00 H new ATOM 1363 N GLY A 90 -14.472 -21.994 6.597 1.00 0.00 N ATOM 1364 CA GLY A 90 -15.655 -22.478 5.925 1.00 0.00 C ATOM 1365 C GLY A 90 -16.902 -21.773 6.398 1.00 0.00 C ATOM 1366 O GLY A 90 -16.833 -20.671 6.943 1.00 0.00 O ATOM 0 H GLY A 90 -14.646 -21.302 7.326 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -15.544 -22.337 4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.757 -23.549 6.097 1.00 0.00 H new ATOM 1370 N SER A 91 -18.043 -22.428 6.237 1.00 0.00 N ATOM 1371 CA SER A 91 -19.329 -21.824 6.552 1.00 0.00 C ATOM 1372 C SER A 91 -19.569 -21.835 8.063 1.00 0.00 C ATOM 1373 O SER A 91 -20.597 -21.364 8.550 1.00 0.00 O ATOM 1374 CB SER A 91 -20.449 -22.575 5.816 1.00 0.00 C ATOM 1375 OG SER A 91 -21.648 -21.818 5.774 1.00 0.00 O ATOM 0 H SER A 91 -18.104 -23.384 5.888 1.00 0.00 H new ATOM 0 HA SER A 91 -19.326 -20.786 6.219 1.00 0.00 H new ATOM 0 HB2 SER A 91 -20.127 -22.804 4.800 1.00 0.00 H new ATOM 0 HB3 SER A 91 -20.637 -23.527 6.313 1.00 0.00 H new ATOM 0 HG SER A 91 -21.804 -21.403 6.648 1.00 0.00 H new ATOM 1381 N ASN A 92 -18.602 -22.363 8.803 1.00 0.00 N ATOM 1382 CA ASN A 92 -18.696 -22.425 10.254 1.00 0.00 C ATOM 1383 C ASN A 92 -18.223 -21.120 10.886 1.00 0.00 C ATOM 1384 O ASN A 92 -18.801 -20.650 11.866 1.00 0.00 O ATOM 1385 CB ASN A 92 -17.861 -23.585 10.811 1.00 0.00 C ATOM 1386 CG ASN A 92 -18.411 -24.956 10.456 1.00 0.00 C ATOM 1387 OD1 ASN A 92 -19.035 -25.145 9.410 1.00 0.00 O ATOM 1388 ND2 ASN A 92 -18.185 -25.922 11.331 1.00 0.00 N ATOM 0 H ASN A 92 -17.742 -22.755 8.420 1.00 0.00 H new ATOM 0 HA ASN A 92 -19.744 -22.587 10.504 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -16.842 -23.503 10.433 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -17.807 -23.494 11.896 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -18.532 -26.864 11.151 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -17.664 -25.725 12.185 1.00 0.00 H new ATOM 1395 N ASN A 93 -17.177 -20.531 10.315 1.00 0.00 N ATOM 1396 CA ASN A 93 -16.552 -19.357 10.913 1.00 0.00 C ATOM 1397 C ASN A 93 -16.629 -18.136 10.001 1.00 0.00 C ATOM 1398 O ASN A 93 -16.349 -17.016 10.435 1.00 0.00 O ATOM 1399 CB ASN A 93 -15.089 -19.658 11.267 1.00 0.00 C ATOM 1400 CG ASN A 93 -14.219 -19.959 10.055 1.00 0.00 C ATOM 1401 OD1 ASN A 93 -14.687 -20.476 9.039 1.00 0.00 O ATOM 1402 ND2 ASN A 93 -12.937 -19.646 10.162 1.00 0.00 N ATOM 0 H ASN A 93 -16.747 -20.845 9.445 1.00 0.00 H new ATOM 0 HA ASN A 93 -17.106 -19.122 11.822 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.670 -18.805 11.802 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -15.056 -20.509 11.948 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -12.300 -19.832 9.387 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -12.586 -19.219 11.019 1.00 0.00 H new ATOM 1409 N ALA A 94 -17.001 -18.342 8.747 1.00 0.00 N ATOM 1410 CA ALA A 94 -17.103 -17.238 7.805 1.00 0.00 C ATOM 1411 C ALA A 94 -18.362 -17.352 6.953 1.00 0.00 C ATOM 1412 O ALA A 94 -18.442 -18.189 6.057 1.00 0.00 O ATOM 1413 CB ALA A 94 -15.867 -17.179 6.919 1.00 0.00 C ATOM 0 H ALA A 94 -17.236 -19.256 8.360 1.00 0.00 H new ATOM 0 HA ALA A 94 -17.169 -16.314 8.379 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -15.960 -16.348 6.220 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -14.982 -17.035 7.539 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -15.773 -18.112 6.363 1.00 0.00 H new ATOM 1419 N VAL A 95 -19.346 -16.516 7.249 1.00 0.00 N ATOM 1420 CA VAL A 95 -20.574 -16.465 6.470 1.00 0.00 C ATOM 1421 C VAL A 95 -21.014 -15.032 6.254 1.00 0.00 C ATOM 1422 O VAL A 95 -20.759 -14.164 7.093 1.00 0.00 O ATOM 1423 CB VAL A 95 -21.736 -17.225 7.141 1.00 0.00 C ATOM 1424 CG1 VAL A 95 -21.613 -18.717 6.892 1.00 0.00 C ATOM 1425 CG2 VAL A 95 -21.785 -16.943 8.634 1.00 0.00 C ATOM 0 H VAL A 95 -19.317 -15.859 8.029 1.00 0.00 H new ATOM 0 HA VAL A 95 -20.344 -16.946 5.519 1.00 0.00 H new ATOM 0 HB VAL A 95 -22.667 -16.872 6.697 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -22.442 -19.236 7.373 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -21.638 -18.910 5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -20.671 -19.078 7.304 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -22.614 -17.492 9.081 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -20.849 -17.260 9.095 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -21.927 -15.875 8.798 1.00 0.00 H new ATOM 1435 N THR A 96 -21.664 -14.782 5.133 1.00 0.00 N ATOM 1436 CA THR A 96 -22.248 -13.483 4.884 1.00 0.00 C ATOM 1437 C THR A 96 -23.700 -13.453 5.334 1.00 0.00 C ATOM 1438 O THR A 96 -24.533 -14.222 4.849 1.00 0.00 O ATOM 1439 CB THR A 96 -22.177 -13.102 3.399 1.00 0.00 C ATOM 1440 OG1 THR A 96 -22.608 -14.204 2.596 1.00 0.00 O ATOM 1441 CG2 THR A 96 -20.769 -12.688 3.009 1.00 0.00 C ATOM 0 H THR A 96 -21.799 -15.461 4.384 1.00 0.00 H new ATOM 0 HA THR A 96 -21.669 -12.759 5.457 1.00 0.00 H new ATOM 0 HB THR A 96 -22.837 -12.252 3.229 1.00 0.00 H new ATOM 0 HG1 THR A 96 -22.718 -13.909 1.668 1.00 0.00 H new ATOM 0 HG21 THR A 96 -20.747 -12.423 1.952 1.00 0.00 H new ATOM 0 HG22 THR A 96 -20.465 -11.828 3.605 1.00 0.00 H new ATOM 0 HG23 THR A 96 -20.083 -13.516 3.190 1.00 0.00 H new ATOM 1449 N THR A 97 -23.992 -12.585 6.282 1.00 0.00 N ATOM 1450 CA THR A 97 -25.363 -12.315 6.691 1.00 0.00 C ATOM 1451 C THR A 97 -26.117 -11.522 5.609 1.00 0.00 C ATOM 1452 O THR A 97 -26.817 -10.550 5.898 1.00 0.00 O ATOM 1453 CB THR A 97 -25.373 -11.539 8.024 1.00 0.00 C ATOM 1454 OG1 THR A 97 -24.367 -10.514 7.995 1.00 0.00 O ATOM 1455 CG2 THR A 97 -25.116 -12.476 9.195 1.00 0.00 C ATOM 0 H THR A 97 -23.291 -12.047 6.791 1.00 0.00 H new ATOM 0 HA THR A 97 -25.873 -13.269 6.828 1.00 0.00 H new ATOM 0 HB THR A 97 -26.355 -11.084 8.153 1.00 0.00 H new ATOM 0 HG1 THR A 97 -24.755 -9.667 8.298 1.00 0.00 H new ATOM 0 HG21 THR A 97 -25.127 -11.908 10.125 1.00 0.00 H new ATOM 0 HG22 THR A 97 -25.893 -13.240 9.227 1.00 0.00 H new ATOM 0 HG23 THR A 97 -24.143 -12.953 9.073 1.00 0.00 H new ATOM 1463 N CYS A 98 -25.993 -11.977 4.367 1.00 0.00 N ATOM 1464 CA CYS A 98 -26.586 -11.300 3.222 1.00 0.00 C ATOM 1465 C CYS A 98 -27.956 -11.884 2.899 1.00 0.00 C ATOM 1466 O CYS A 98 -28.377 -11.911 1.743 1.00 0.00 O ATOM 1467 CB CYS A 98 -25.658 -11.414 2.007 1.00 0.00 C ATOM 1468 SG CYS A 98 -24.059 -10.566 2.224 1.00 0.00 S ATOM 0 H CYS A 98 -25.479 -12.825 4.127 1.00 0.00 H new ATOM 0 HA CYS A 98 -26.716 -10.247 3.471 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -25.475 -12.468 1.799 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -26.164 -11.000 1.135 1.00 0.00 H new