USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 741 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 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 LYS NZ :NH3+ 180:sc= -0.178 (180deg=-0.178) USER MOD Set 2.1: A 65 MET CE :methyl -127:sc=-0.00235 (180deg=-0.158) USER MOD Set 2.2: A 67 HIS : no HD1:sc= 0 X(o=-0.0024,f=-0.013) USER MOD Set 3.1: A 9 SER OG : rot -4:sc= 0.859 USER MOD Set 3.2: A 42 SER OG : rot -8:sc= 0.357 USER MOD Set 4.1: A 33 GLN : amide:sc= 0 X(o=-0.47,f=-0.47) USER MOD Set 4.2: A 36 ASN :FLIP amide:sc= -0.469 F(o=-1.9,f=-0.47) USER MOD Set 5.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 166:sc= -0.107 (180deg=-0.43) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=-0.00024) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.312 K(o=-0.31,f=-2.5!) USER MOD Single : A 32 ASN : amide:sc= -1.25 X(o=-1.2,f=-0.86) USER MOD Single : A 35 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00568) USER MOD Single : A 44 THR OG1 : rot -146:sc= 0.275 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.992 USER MOD Single : A 69 GLN : amide:sc= -0.0855 X(o=-0.086,f=-0.29) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 GLN : amide:sc= -0.0934 X(o=-0.093,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 177:sc= -0.434 (180deg=-0.523) USER MOD Single : A 91 ASN : amide:sc= -1.84 K(o=-1.8,f=-4.9!) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N SER A 9 7.595 7.979 5.099 1.00 0.00 N ATOM 88 CA SER A 9 7.199 6.765 4.395 1.00 0.00 C ATOM 89 C SER A 9 7.502 5.527 5.234 1.00 0.00 C ATOM 90 O SER A 9 8.337 5.567 6.138 1.00 0.00 O ATOM 91 CB SER A 9 7.921 6.670 3.050 1.00 0.00 C ATOM 92 OG SER A 9 7.226 5.817 2.156 1.00 0.00 O ATOM 0 HA SER A 9 6.124 6.812 4.220 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.012 7.664 2.612 1.00 0.00 H new ATOM 0 HB3 SER A 9 8.933 6.295 3.203 1.00 0.00 H new ATOM 0 HG SER A 9 6.461 5.414 2.617 1.00 0.00 H new ATOM 98 N LEU A 10 6.818 4.429 4.929 1.00 0.00 N ATOM 99 CA LEU A 10 7.015 3.180 5.656 1.00 0.00 C ATOM 100 C LEU A 10 7.888 2.217 4.857 1.00 0.00 C ATOM 101 O LEU A 10 7.493 1.742 3.793 1.00 0.00 O ATOM 102 CB LEU A 10 5.666 2.527 5.963 1.00 0.00 C ATOM 103 CG LEU A 10 4.930 3.100 7.175 1.00 0.00 C ATOM 104 CD1 LEU A 10 3.443 2.793 7.093 1.00 0.00 C ATOM 105 CD2 LEU A 10 5.519 2.546 8.464 1.00 0.00 C ATOM 0 H LEU A 10 6.123 4.379 4.184 1.00 0.00 H new ATOM 0 HA LEU A 10 7.522 3.410 6.593 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.024 2.626 5.087 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.824 1.461 6.124 1.00 0.00 H new ATOM 0 HG LEU A 10 5.056 4.183 7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.937 3.209 7.964 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.029 3.236 6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.295 1.713 7.069 1.00 0.00 H new ATOM 0 HD21 LEU A 10 4.984 2.963 9.317 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.422 1.460 8.471 1.00 0.00 H new ATOM 0 HD23 LEU A 10 6.573 2.817 8.528 1.00 0.00 H new ATOM 117 N LYS A 11 9.078 1.936 5.379 1.00 0.00 N ATOM 118 CA LYS A 11 10.008 1.030 4.714 1.00 0.00 C ATOM 119 C LYS A 11 10.112 -0.292 5.468 1.00 0.00 C ATOM 120 O LYS A 11 10.663 -0.349 6.568 1.00 0.00 O ATOM 121 CB LYS A 11 11.390 1.677 4.601 1.00 0.00 C ATOM 122 CG LYS A 11 11.547 2.568 3.379 1.00 0.00 C ATOM 123 CD LYS A 11 12.679 2.093 2.481 1.00 0.00 C ATOM 124 CE LYS A 11 14.020 2.646 2.937 1.00 0.00 C ATOM 125 NZ LYS A 11 14.537 1.929 4.135 1.00 0.00 N ATOM 0 H LYS A 11 9.421 2.322 6.259 1.00 0.00 H new ATOM 0 HA LYS A 11 9.627 0.828 3.713 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.580 2.267 5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.147 0.894 4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.615 2.580 2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.740 3.592 3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.714 1.004 2.483 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.486 2.404 1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.742 2.563 2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.917 3.707 3.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.541 2.164 4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.995 2.218 4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.437 0.903 3.995 1.00 0.00 H new ATOM 139 N TYR A 12 9.577 -1.351 4.871 1.00 0.00 N ATOM 140 CA TYR A 12 9.609 -2.673 5.487 1.00 0.00 C ATOM 141 C TYR A 12 10.128 -3.718 4.504 1.00 0.00 C ATOM 142 O TYR A 12 9.927 -3.602 3.295 1.00 0.00 O ATOM 143 CB TYR A 12 8.214 -3.063 5.977 1.00 0.00 C ATOM 144 CG TYR A 12 7.973 -2.739 7.434 1.00 0.00 C ATOM 145 CD1 TYR A 12 8.914 -3.061 8.403 1.00 0.00 C ATOM 146 CD2 TYR A 12 6.802 -2.110 7.842 1.00 0.00 C ATOM 147 CE1 TYR A 12 8.698 -2.767 9.735 1.00 0.00 C ATOM 148 CE2 TYR A 12 6.579 -1.812 9.173 1.00 0.00 C ATOM 149 CZ TYR A 12 7.529 -2.143 10.115 1.00 0.00 C ATOM 150 OH TYR A 12 7.310 -1.849 11.441 1.00 0.00 O ATOM 0 H TYR A 12 9.116 -1.320 3.962 1.00 0.00 H new ATOM 0 HA TYR A 12 10.288 -2.634 6.339 1.00 0.00 H new ATOM 0 HB2 TYR A 12 7.468 -2.549 5.371 1.00 0.00 H new ATOM 0 HB3 TYR A 12 8.069 -4.132 5.822 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.831 -3.550 8.110 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.055 -1.850 7.107 1.00 0.00 H new ATOM 0 HE1 TYR A 12 9.441 -3.025 10.475 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.665 -1.322 9.473 1.00 0.00 H new ATOM 0 HH TYR A 12 6.440 -1.409 11.539 1.00 0.00 H new ATOM 160 N THR A 13 10.795 -4.738 5.032 1.00 0.00 N ATOM 161 CA THR A 13 11.344 -5.805 4.203 1.00 0.00 C ATOM 162 C THR A 13 10.427 -7.024 4.211 1.00 0.00 C ATOM 163 O THR A 13 9.600 -7.186 5.109 1.00 0.00 O ATOM 164 CB THR A 13 12.736 -6.198 4.696 1.00 0.00 C ATOM 165 OG1 THR A 13 12.658 -6.864 5.944 1.00 0.00 O ATOM 166 CG2 THR A 13 13.667 -5.018 4.863 1.00 0.00 C ATOM 0 H THR A 13 10.969 -4.849 6.031 1.00 0.00 H new ATOM 0 HA THR A 13 11.420 -5.435 3.181 1.00 0.00 H new ATOM 0 HB THR A 13 13.140 -6.853 3.924 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.559 -7.109 6.241 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.638 -5.367 5.215 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.789 -4.512 3.905 1.00 0.00 H new ATOM 0 HG23 THR A 13 13.246 -4.323 5.589 1.00 0.00 H new ATOM 174 N ALA A 14 10.581 -7.879 3.206 1.00 0.00 N ATOM 175 CA ALA A 14 9.769 -9.085 3.100 1.00 0.00 C ATOM 176 C ALA A 14 9.976 -9.989 4.310 1.00 0.00 C ATOM 177 O ALA A 14 9.044 -10.648 4.773 1.00 0.00 O ATOM 178 CB ALA A 14 10.099 -9.832 1.816 1.00 0.00 C ATOM 0 H ALA A 14 11.260 -7.759 2.454 1.00 0.00 H new ATOM 0 HA ALA A 14 8.720 -8.789 3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.485 -10.730 1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.896 -9.190 0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 14 11.153 -10.112 1.818 1.00 0.00 H new ATOM 184 N ALA A 15 11.203 -10.013 4.818 1.00 0.00 N ATOM 185 CA ALA A 15 11.537 -10.834 5.975 1.00 0.00 C ATOM 186 C ALA A 15 10.692 -10.451 7.184 1.00 0.00 C ATOM 187 O ALA A 15 10.311 -11.305 7.985 1.00 0.00 O ATOM 188 CB ALA A 15 13.018 -10.705 6.301 1.00 0.00 C ATOM 0 H ALA A 15 11.984 -9.472 4.446 1.00 0.00 H new ATOM 0 HA ALA A 15 11.318 -11.873 5.728 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.255 -11.323 7.167 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.609 -11.036 5.447 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.252 -9.664 6.523 1.00 0.00 H new ATOM 194 N ARG A 16 10.402 -9.160 7.312 1.00 0.00 N ATOM 195 CA ARG A 16 9.602 -8.662 8.425 1.00 0.00 C ATOM 196 C ARG A 16 8.134 -9.044 8.253 1.00 0.00 C ATOM 197 O ARG A 16 7.525 -9.623 9.152 1.00 0.00 O ATOM 198 CB ARG A 16 9.738 -7.141 8.538 1.00 0.00 C ATOM 199 CG ARG A 16 10.542 -6.688 9.746 1.00 0.00 C ATOM 200 CD ARG A 16 9.848 -7.059 11.048 1.00 0.00 C ATOM 201 NE ARG A 16 10.739 -6.931 12.200 1.00 0.00 N ATOM 202 CZ ARG A 16 11.031 -5.773 12.787 1.00 0.00 C ATOM 203 NH1 ARG A 16 10.509 -4.641 12.334 1.00 0.00 N ATOM 204 NH2 ARG A 16 11.848 -5.748 13.830 1.00 0.00 N ATOM 0 H ARG A 16 10.709 -8.440 6.658 1.00 0.00 H new ATOM 0 HA ARG A 16 9.973 -9.121 9.342 1.00 0.00 H new ATOM 0 HB2 ARG A 16 10.211 -6.759 7.633 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.743 -6.699 8.588 1.00 0.00 H new ATOM 0 HG2 ARG A 16 11.532 -7.144 9.717 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.687 -5.608 9.704 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.978 -6.418 11.190 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.482 -8.084 10.985 1.00 0.00 H new ATOM 0 HE ARG A 16 11.162 -7.780 12.576 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.880 -4.655 11.531 1.00 0.00 H new ATOM 0 HH12 ARG A 16 10.737 -3.757 12.788 1.00 0.00 H new ATOM 0 HH21 ARG A 16 12.252 -6.616 14.182 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.073 -4.861 14.281 1.00 0.00 H new ATOM 218 N LEU A 17 7.575 -8.714 7.093 1.00 0.00 N ATOM 219 CA LEU A 17 6.180 -9.021 6.803 1.00 0.00 C ATOM 220 C LEU A 17 5.921 -10.522 6.888 1.00 0.00 C ATOM 221 O LEU A 17 4.826 -10.953 7.249 1.00 0.00 O ATOM 222 CB LEU A 17 5.800 -8.503 5.414 1.00 0.00 C ATOM 223 CG LEU A 17 5.794 -6.980 5.271 1.00 0.00 C ATOM 224 CD1 LEU A 17 5.630 -6.582 3.812 1.00 0.00 C ATOM 225 CD2 LEU A 17 4.689 -6.371 6.119 1.00 0.00 C ATOM 0 H LEU A 17 8.067 -8.234 6.339 1.00 0.00 H new ATOM 0 HA LEU A 17 5.563 -8.523 7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.496 -8.919 4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.809 -8.881 5.160 1.00 0.00 H new ATOM 0 HG LEU A 17 6.751 -6.596 5.625 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.628 -5.495 3.729 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.456 -6.989 3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.688 -6.977 3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.699 -5.287 6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.724 -6.761 5.794 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.850 -6.628 7.166 1.00 0.00 H new ATOM 237 N HIS A 18 6.935 -11.311 6.555 1.00 0.00 N ATOM 238 CA HIS A 18 6.818 -12.764 6.595 1.00 0.00 C ATOM 239 C HIS A 18 6.717 -13.263 8.032 1.00 0.00 C ATOM 240 O HIS A 18 5.795 -14.001 8.381 1.00 0.00 O ATOM 241 CB HIS A 18 8.017 -13.414 5.901 1.00 0.00 C ATOM 242 CG HIS A 18 7.889 -14.897 5.748 1.00 0.00 C ATOM 243 ND1 HIS A 18 8.678 -15.795 6.435 1.00 0.00 N ATOM 244 CD2 HIS A 18 7.056 -15.641 4.982 1.00 0.00 C ATOM 245 CE1 HIS A 18 8.337 -17.027 6.098 1.00 0.00 C ATOM 246 NE2 HIS A 18 7.355 -16.960 5.218 1.00 0.00 N ATOM 0 H HIS A 18 7.848 -10.969 6.254 1.00 0.00 H new ATOM 0 HA HIS A 18 5.906 -13.043 6.067 1.00 0.00 H new ATOM 0 HB2 HIS A 18 8.143 -12.965 4.916 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.920 -13.192 6.470 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.298 -15.266 4.310 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.785 -17.933 6.478 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.893 -17.759 4.784 1.00 0.00 H new ATOM 255 N GLU A 19 7.671 -12.855 8.863 1.00 0.00 N ATOM 256 CA GLU A 19 7.689 -13.261 10.264 1.00 0.00 C ATOM 257 C GLU A 19 6.444 -12.762 10.991 1.00 0.00 C ATOM 258 O GLU A 19 5.965 -13.398 11.929 1.00 0.00 O ATOM 259 CB GLU A 19 8.945 -12.728 10.954 1.00 0.00 C ATOM 260 CG GLU A 19 10.235 -13.335 10.425 1.00 0.00 C ATOM 261 CD GLU A 19 10.257 -14.847 10.541 1.00 0.00 C ATOM 262 OE1 GLU A 19 10.099 -15.358 11.670 1.00 0.00 O ATOM 263 OE2 GLU A 19 10.434 -15.519 9.503 1.00 0.00 O ATOM 0 H GLU A 19 8.441 -12.244 8.591 1.00 0.00 H new ATOM 0 HA GLU A 19 7.697 -14.350 10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.985 -11.646 10.831 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.873 -12.925 12.024 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.364 -13.052 9.380 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.080 -12.920 10.974 1.00 0.00 H new ATOM 270 N LYS A 20 5.927 -11.619 10.552 1.00 0.00 N ATOM 271 CA LYS A 20 4.739 -11.035 11.161 1.00 0.00 C ATOM 272 C LYS A 20 3.484 -11.800 10.751 1.00 0.00 C ATOM 273 O LYS A 20 2.544 -11.935 11.533 1.00 0.00 O ATOM 274 CB LYS A 20 4.607 -9.564 10.762 1.00 0.00 C ATOM 275 CG LYS A 20 5.645 -8.662 11.412 1.00 0.00 C ATOM 276 CD LYS A 20 5.448 -7.209 11.013 1.00 0.00 C ATOM 277 CE LYS A 20 5.713 -6.271 12.180 1.00 0.00 C ATOM 278 NZ LYS A 20 4.748 -5.137 12.212 1.00 0.00 N ATOM 0 H LYS A 20 6.312 -11.079 9.777 1.00 0.00 H new ATOM 0 HA LYS A 20 4.846 -11.103 12.244 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.693 -9.481 9.679 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.611 -9.211 11.031 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.581 -8.755 12.496 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.644 -8.988 11.122 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.116 -6.963 10.188 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.430 -7.064 10.652 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.650 -6.828 13.115 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.729 -5.881 12.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.963 -4.521 13.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.826 -4.590 11.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.781 -5.507 12.305 1.00 0.00 H new ATOM 292 N GLY A 21 3.477 -12.297 9.518 1.00 0.00 N ATOM 293 CA GLY A 21 2.334 -13.043 9.026 1.00 0.00 C ATOM 294 C GLY A 21 1.724 -12.423 7.782 1.00 0.00 C ATOM 295 O GLY A 21 1.015 -13.093 7.032 1.00 0.00 O ATOM 0 H GLY A 21 4.242 -12.196 8.851 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.640 -14.066 8.805 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.577 -13.099 9.808 1.00 0.00 H new ATOM 299 N VAL A 22 1.997 -11.140 7.562 1.00 0.00 N ATOM 300 CA VAL A 22 1.469 -10.433 6.402 1.00 0.00 C ATOM 301 C VAL A 22 1.873 -11.124 5.103 1.00 0.00 C ATOM 302 O VAL A 22 1.032 -11.678 4.395 1.00 0.00 O ATOM 303 CB VAL A 22 1.953 -8.970 6.366 1.00 0.00 C ATOM 304 CG1 VAL A 22 1.270 -8.206 5.241 1.00 0.00 C ATOM 305 CG2 VAL A 22 1.708 -8.292 7.707 1.00 0.00 C ATOM 0 H VAL A 22 2.581 -10.569 8.173 1.00 0.00 H new ATOM 0 HA VAL A 22 0.383 -10.446 6.493 1.00 0.00 H new ATOM 0 HB VAL A 22 3.026 -8.968 6.174 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.625 -7.176 5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.503 -8.678 4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.191 -8.216 5.397 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.056 -7.260 7.662 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.642 -8.306 7.932 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.251 -8.824 8.488 1.00 0.00 H new ATOM 315 N LEU A 23 3.166 -11.087 4.794 1.00 0.00 N ATOM 316 CA LEU A 23 3.679 -11.711 3.581 1.00 0.00 C ATOM 317 C LEU A 23 3.713 -13.229 3.722 1.00 0.00 C ATOM 318 O LEU A 23 4.183 -13.758 4.729 1.00 0.00 O ATOM 319 CB LEU A 23 5.081 -11.184 3.266 1.00 0.00 C ATOM 320 CG LEU A 23 5.425 -11.105 1.777 1.00 0.00 C ATOM 321 CD1 LEU A 23 4.595 -10.029 1.094 1.00 0.00 C ATOM 322 CD2 LEU A 23 6.910 -10.835 1.588 1.00 0.00 C ATOM 0 H LEU A 23 3.876 -10.632 5.367 1.00 0.00 H new ATOM 0 HA LEU A 23 3.009 -11.456 2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.185 -10.190 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.812 -11.825 3.759 1.00 0.00 H new ATOM 0 HG LEU A 23 5.188 -12.064 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.853 -9.987 0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.536 -10.264 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.800 -9.063 1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.138 -10.782 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.171 -9.889 2.063 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.487 -11.640 2.043 1.00 0.00 H new ATOM 334 N LEU A 24 3.213 -13.925 2.706 1.00 0.00 N ATOM 335 CA LEU A 24 3.186 -15.383 2.719 1.00 0.00 C ATOM 336 C LEU A 24 4.403 -15.956 2.000 1.00 0.00 C ATOM 337 O LEU A 24 5.295 -16.526 2.628 1.00 0.00 O ATOM 338 CB LEU A 24 1.901 -15.898 2.065 1.00 0.00 C ATOM 339 CG LEU A 24 0.605 -15.401 2.706 1.00 0.00 C ATOM 340 CD1 LEU A 24 -0.592 -15.764 1.841 1.00 0.00 C ATOM 341 CD2 LEU A 24 0.450 -15.977 4.105 1.00 0.00 C ATOM 0 H LEU A 24 2.821 -13.503 1.864 1.00 0.00 H new ATOM 0 HA LEU A 24 3.212 -15.712 3.758 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.904 -15.607 1.015 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.908 -16.988 2.094 1.00 0.00 H new ATOM 0 HG LEU A 24 0.653 -14.315 2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.505 -15.402 2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.484 -15.303 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.646 -16.847 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.477 -15.613 4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.423 -17.065 4.050 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.293 -15.666 4.722 1.00 0.00 H new ATOM 353 N GLU A 25 4.432 -15.802 0.680 1.00 0.00 N ATOM 354 CA GLU A 25 5.540 -16.305 -0.124 1.00 0.00 C ATOM 355 C GLU A 25 5.723 -15.465 -1.383 1.00 0.00 C ATOM 356 O GLU A 25 4.988 -14.504 -1.614 1.00 0.00 O ATOM 357 CB GLU A 25 5.303 -17.768 -0.504 1.00 0.00 C ATOM 358 CG GLU A 25 5.913 -18.758 0.473 1.00 0.00 C ATOM 359 CD GLU A 25 5.242 -20.117 0.421 1.00 0.00 C ATOM 360 OE1 GLU A 25 5.563 -20.901 -0.497 1.00 0.00 O ATOM 361 OE2 GLU A 25 4.399 -20.397 1.298 1.00 0.00 O ATOM 0 H GLU A 25 3.701 -15.333 0.145 1.00 0.00 H new ATOM 0 HA GLU A 25 6.449 -16.236 0.474 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.230 -17.948 -0.568 1.00 0.00 H new ATOM 0 HB3 GLU A 25 5.717 -17.948 -1.496 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.975 -18.872 0.254 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.838 -18.358 1.484 1.00 0.00 H new ATOM 368 N ILE A 26 6.708 -15.835 -2.195 1.00 0.00 N ATOM 369 CA ILE A 26 6.989 -15.117 -3.431 1.00 0.00 C ATOM 370 C ILE A 26 7.379 -16.082 -4.546 1.00 0.00 C ATOM 371 O ILE A 26 8.150 -17.016 -4.331 1.00 0.00 O ATOM 372 CB ILE A 26 8.116 -14.087 -3.239 1.00 0.00 C ATOM 373 CG1 ILE A 26 7.849 -13.231 -2.000 1.00 0.00 C ATOM 374 CG2 ILE A 26 8.251 -13.211 -4.477 1.00 0.00 C ATOM 375 CD1 ILE A 26 8.990 -12.300 -1.650 1.00 0.00 C ATOM 0 H ILE A 26 7.325 -16.628 -2.018 1.00 0.00 H new ATOM 0 HA ILE A 26 6.075 -14.593 -3.709 1.00 0.00 H new ATOM 0 HB ILE A 26 9.055 -14.621 -3.092 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.947 -12.641 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.652 -13.886 -1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 26 9.052 -12.488 -4.325 1.00 0.00 H new ATOM 0 HG22 ILE A 26 8.484 -13.834 -5.340 1.00 0.00 H new ATOM 0 HG23 ILE A 26 7.314 -12.683 -4.653 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.731 -11.725 -0.761 1.00 0.00 H new ATOM 0 HD12 ILE A 26 9.889 -12.884 -1.454 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.173 -11.620 -2.482 1.00 0.00 H new ATOM 387 N GLU A 27 6.841 -15.849 -5.739 1.00 0.00 N ATOM 388 CA GLU A 27 7.133 -16.698 -6.888 1.00 0.00 C ATOM 389 C GLU A 27 8.387 -16.221 -7.613 1.00 0.00 C ATOM 390 O GLU A 27 8.365 -15.973 -8.819 1.00 0.00 O ATOM 391 CB GLU A 27 5.943 -16.714 -7.849 1.00 0.00 C ATOM 392 CG GLU A 27 4.736 -17.468 -7.313 1.00 0.00 C ATOM 393 CD GLU A 27 4.575 -18.836 -7.946 1.00 0.00 C ATOM 394 OE1 GLU A 27 5.598 -19.432 -8.341 1.00 0.00 O ATOM 395 OE2 GLU A 27 3.423 -19.310 -8.048 1.00 0.00 O ATOM 0 H GLU A 27 6.201 -15.080 -5.935 1.00 0.00 H new ATOM 0 HA GLU A 27 7.312 -17.711 -6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.651 -15.687 -8.069 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.254 -17.166 -8.791 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.833 -17.581 -6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.836 -16.880 -7.493 1.00 0.00 H new ATOM 402 N ASP A 28 9.482 -16.093 -6.870 1.00 0.00 N ATOM 403 CA ASP A 28 10.747 -15.645 -7.442 1.00 0.00 C ATOM 404 C ASP A 28 11.848 -15.629 -6.386 1.00 0.00 C ATOM 405 O ASP A 28 12.876 -16.288 -6.535 1.00 0.00 O ATOM 406 CB ASP A 28 10.592 -14.252 -8.053 1.00 0.00 C ATOM 407 CG ASP A 28 11.541 -14.020 -9.213 1.00 0.00 C ATOM 408 OD1 ASP A 28 11.911 -15.007 -9.883 1.00 0.00 O ATOM 409 OD2 ASP A 28 11.914 -12.853 -9.450 1.00 0.00 O ATOM 0 H ASP A 28 9.519 -16.293 -5.871 1.00 0.00 H new ATOM 0 HA ASP A 28 11.029 -16.348 -8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 28 9.565 -14.121 -8.395 1.00 0.00 H new ATOM 0 HB3 ASP A 28 10.771 -13.500 -7.285 1.00 0.00 H new ATOM 414 N LEU A 29 11.624 -14.870 -5.318 1.00 0.00 N ATOM 415 CA LEU A 29 12.597 -14.766 -4.237 1.00 0.00 C ATOM 416 C LEU A 29 12.383 -15.869 -3.204 1.00 0.00 C ATOM 417 O LEU A 29 11.249 -16.239 -2.902 1.00 0.00 O ATOM 418 CB LEU A 29 12.499 -13.396 -3.564 1.00 0.00 C ATOM 419 CG LEU A 29 13.071 -12.232 -4.376 1.00 0.00 C ATOM 420 CD1 LEU A 29 14.563 -12.421 -4.600 1.00 0.00 C ATOM 421 CD2 LEU A 29 12.343 -12.104 -5.706 1.00 0.00 C ATOM 0 H LEU A 29 10.778 -14.318 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 29 13.592 -14.882 -4.666 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.451 -13.188 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 29 13.018 -13.441 -2.607 1.00 0.00 H new ATOM 0 HG LEU A 29 12.923 -11.311 -3.812 1.00 0.00 H new ATOM 0 HD11 LEU A 29 14.953 -11.584 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 29 15.073 -12.465 -3.638 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.734 -13.350 -5.144 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.762 -11.272 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 29 12.461 -13.026 -6.276 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.284 -11.923 -5.525 1.00 0.00 H new ATOM 433 N GLN A 30 13.481 -16.388 -2.664 1.00 0.00 N ATOM 434 CA GLN A 30 13.414 -17.448 -1.665 1.00 0.00 C ATOM 435 C GLN A 30 13.116 -16.874 -0.283 1.00 0.00 C ATOM 436 O GLN A 30 13.118 -15.659 -0.092 1.00 0.00 O ATOM 437 CB GLN A 30 14.727 -18.232 -1.632 1.00 0.00 C ATOM 438 CG GLN A 30 15.147 -18.772 -2.989 1.00 0.00 C ATOM 439 CD GLN A 30 15.638 -20.205 -2.921 1.00 0.00 C ATOM 440 OE1 GLN A 30 15.331 -20.934 -1.978 1.00 0.00 O ATOM 441 NE2 GLN A 30 16.407 -20.616 -3.923 1.00 0.00 N ATOM 0 H GLN A 30 14.428 -16.092 -2.902 1.00 0.00 H new ATOM 0 HA GLN A 30 12.604 -18.123 -1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 30 15.516 -17.586 -1.247 1.00 0.00 H new ATOM 0 HB3 GLN A 30 14.627 -19.064 -0.935 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.303 -18.714 -3.676 1.00 0.00 H new ATOM 0 HG3 GLN A 30 15.936 -18.141 -3.399 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.636 -19.978 -4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.768 -21.570 -3.931 1.00 0.00 H new ATOM 450 N VAL A 31 12.860 -17.757 0.678 1.00 0.00 N ATOM 451 CA VAL A 31 12.559 -17.337 2.042 1.00 0.00 C ATOM 452 C VAL A 31 13.687 -16.488 2.621 1.00 0.00 C ATOM 453 O VAL A 31 13.443 -15.460 3.252 1.00 0.00 O ATOM 454 CB VAL A 31 12.320 -18.548 2.963 1.00 0.00 C ATOM 455 CG1 VAL A 31 11.814 -18.093 4.324 1.00 0.00 C ATOM 456 CG2 VAL A 31 11.347 -19.524 2.322 1.00 0.00 C ATOM 0 H VAL A 31 12.855 -18.767 0.537 1.00 0.00 H new ATOM 0 HA VAL A 31 11.648 -16.740 1.993 1.00 0.00 H new ATOM 0 HB VAL A 31 13.270 -19.063 3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 31 11.651 -18.962 4.961 1.00 0.00 H new ATOM 0 HG12 VAL A 31 12.552 -17.438 4.786 1.00 0.00 H new ATOM 0 HG13 VAL A 31 10.876 -17.552 4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.191 -20.373 2.988 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.395 -19.024 2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 31 11.756 -19.876 1.375 1.00 0.00 H new ATOM 466 N ASN A 32 14.923 -16.925 2.401 1.00 0.00 N ATOM 467 CA ASN A 32 16.089 -16.206 2.901 1.00 0.00 C ATOM 468 C ASN A 32 16.332 -14.930 2.099 1.00 0.00 C ATOM 469 O ASN A 32 16.927 -13.976 2.600 1.00 0.00 O ATOM 470 CB ASN A 32 17.329 -17.101 2.846 1.00 0.00 C ATOM 471 CG ASN A 32 17.520 -17.742 1.485 1.00 0.00 C ATOM 472 OD1 ASN A 32 17.060 -18.856 1.241 1.00 0.00 O ATOM 473 ND2 ASN A 32 18.202 -17.037 0.590 1.00 0.00 N ATOM 0 H ASN A 32 15.143 -17.774 1.880 1.00 0.00 H new ATOM 0 HA ASN A 32 15.894 -15.929 3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.211 -16.510 3.093 1.00 0.00 H new ATOM 0 HB3 ASN A 32 17.245 -17.881 3.603 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.362 -17.416 -0.343 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.566 -16.116 0.836 1.00 0.00 H new ATOM 480 N GLN A 33 15.871 -14.921 0.853 1.00 0.00 N ATOM 481 CA GLN A 33 16.041 -13.762 -0.018 1.00 0.00 C ATOM 482 C GLN A 33 15.073 -12.640 0.355 1.00 0.00 C ATOM 483 O GLN A 33 15.189 -11.521 -0.144 1.00 0.00 O ATOM 484 CB GLN A 33 15.833 -14.164 -1.479 1.00 0.00 C ATOM 485 CG GLN A 33 16.826 -15.205 -1.971 1.00 0.00 C ATOM 486 CD GLN A 33 17.823 -14.639 -2.963 1.00 0.00 C ATOM 487 OE1 GLN A 33 18.802 -13.998 -2.579 1.00 0.00 O ATOM 488 NE2 GLN A 33 17.579 -14.872 -4.246 1.00 0.00 N ATOM 0 H GLN A 33 15.377 -15.703 0.423 1.00 0.00 H new ATOM 0 HA GLN A 33 17.058 -13.392 0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.822 -14.553 -1.600 1.00 0.00 H new ATOM 0 HB3 GLN A 33 15.910 -13.276 -2.106 1.00 0.00 H new ATOM 0 HG2 GLN A 33 17.364 -15.620 -1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 33 16.283 -16.028 -2.437 1.00 0.00 H new ATOM 0 HE21 GLN A 33 16.755 -15.408 -4.519 1.00 0.00 H new ATOM 0 HE22 GLN A 33 18.215 -14.515 -4.959 1.00 0.00 H new ATOM 497 N PHE A 34 14.118 -12.942 1.233 1.00 0.00 N ATOM 498 CA PHE A 34 13.134 -11.954 1.666 1.00 0.00 C ATOM 499 C PHE A 34 13.817 -10.691 2.183 1.00 0.00 C ATOM 500 O PHE A 34 13.303 -9.584 2.020 1.00 0.00 O ATOM 501 CB PHE A 34 12.238 -12.545 2.756 1.00 0.00 C ATOM 502 CG PHE A 34 10.972 -13.166 2.232 1.00 0.00 C ATOM 503 CD1 PHE A 34 10.959 -13.831 1.017 1.00 0.00 C ATOM 504 CD2 PHE A 34 9.795 -13.085 2.961 1.00 0.00 C ATOM 505 CE1 PHE A 34 9.796 -14.403 0.536 1.00 0.00 C ATOM 506 CE2 PHE A 34 8.630 -13.656 2.486 1.00 0.00 C ATOM 507 CZ PHE A 34 8.630 -14.316 1.272 1.00 0.00 C ATOM 0 H PHE A 34 14.006 -13.863 1.658 1.00 0.00 H new ATOM 0 HA PHE A 34 12.523 -11.685 0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 34 12.801 -13.299 3.306 1.00 0.00 H new ATOM 0 HB3 PHE A 34 11.979 -11.759 3.466 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.868 -13.903 0.439 1.00 0.00 H new ATOM 0 HD2 PHE A 34 9.789 -12.570 3.910 1.00 0.00 H new ATOM 0 HE1 PHE A 34 9.799 -14.917 -0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.720 -13.587 3.063 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.720 -14.763 0.899 1.00 0.00 H new ATOM 517 N LYS A 35 14.977 -10.866 2.808 1.00 0.00 N ATOM 518 CA LYS A 35 15.730 -9.742 3.350 1.00 0.00 C ATOM 519 C LYS A 35 16.095 -8.748 2.251 1.00 0.00 C ATOM 520 O LYS A 35 16.208 -7.548 2.499 1.00 0.00 O ATOM 521 CB LYS A 35 17.000 -10.240 4.045 1.00 0.00 C ATOM 522 CG LYS A 35 16.746 -10.841 5.418 1.00 0.00 C ATOM 523 CD LYS A 35 17.232 -9.924 6.530 1.00 0.00 C ATOM 524 CE LYS A 35 16.982 -10.531 7.902 1.00 0.00 C ATOM 525 NZ LYS A 35 17.913 -11.657 8.188 1.00 0.00 N ATOM 0 H LYS A 35 15.415 -11.776 2.951 1.00 0.00 H new ATOM 0 HA LYS A 35 15.099 -9.233 4.079 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.481 -10.987 3.414 1.00 0.00 H new ATOM 0 HB3 LYS A 35 17.699 -9.410 4.145 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.680 -11.030 5.541 1.00 0.00 H new ATOM 0 HG3 LYS A 35 17.251 -11.804 5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.298 -9.732 6.405 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.724 -8.962 6.458 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.097 -9.762 8.666 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.953 -10.887 7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 17.745 -12.011 9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.751 -12.424 7.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.895 -11.324 8.108 1.00 0.00 H new ATOM 539 N ASN A 36 16.279 -9.257 1.037 1.00 0.00 N ATOM 540 CA ASN A 36 16.631 -8.412 -0.099 1.00 0.00 C ATOM 541 C ASN A 36 15.466 -7.508 -0.489 1.00 0.00 C ATOM 542 O ASN A 36 15.618 -6.291 -0.584 1.00 0.00 O ATOM 543 CB ASN A 36 17.045 -9.275 -1.293 1.00 0.00 C ATOM 544 CG ASN A 36 18.173 -10.230 -0.954 1.00 0.00 C ATOM 545 OD1 ASN A 36 17.893 -11.526 -1.031 1.00 0.00 O flip ATOM 546 ND2 ASN A 36 19.282 -9.808 -0.627 1.00 0.00 N flip ATOM 0 H ASN A 36 16.190 -10.249 0.815 1.00 0.00 H new ATOM 0 HA ASN A 36 17.471 -7.783 0.195 1.00 0.00 H new ATOM 0 HB2 ASN A 36 16.184 -9.844 -1.642 1.00 0.00 H new ATOM 0 HB3 ASN A 36 17.354 -8.629 -2.115 1.00 0.00 H new ATOM 0 HD21 ASN A 36 19.452 -8.803 -0.581 1.00 0.00 H new ATOM 0 HD22 ASN A 36 20.031 -10.463 -0.402 1.00 0.00 H new ATOM 553 N VAL A 37 14.305 -8.113 -0.714 1.00 0.00 N ATOM 554 CA VAL A 37 13.114 -7.362 -1.095 1.00 0.00 C ATOM 555 C VAL A 37 12.734 -6.350 -0.019 1.00 0.00 C ATOM 556 O VAL A 37 12.749 -6.661 1.172 1.00 0.00 O ATOM 557 CB VAL A 37 11.916 -8.297 -1.352 1.00 0.00 C ATOM 558 CG1 VAL A 37 10.731 -7.513 -1.895 1.00 0.00 C ATOM 559 CG2 VAL A 37 12.305 -9.417 -2.306 1.00 0.00 C ATOM 0 H VAL A 37 14.163 -9.120 -0.639 1.00 0.00 H new ATOM 0 HA VAL A 37 13.356 -6.834 -2.017 1.00 0.00 H new ATOM 0 HB VAL A 37 11.621 -8.745 -0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.896 -8.191 -2.070 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.436 -6.752 -1.172 1.00 0.00 H new ATOM 0 HG13 VAL A 37 11.011 -7.033 -2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 37 11.446 -10.066 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 37 12.629 -8.990 -3.255 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.119 -9.998 -1.872 1.00 0.00 H new ATOM 569 N ILE A 38 12.393 -5.139 -0.447 1.00 0.00 N ATOM 570 CA ILE A 38 12.009 -4.080 0.479 1.00 0.00 C ATOM 571 C ILE A 38 10.799 -3.309 -0.042 1.00 0.00 C ATOM 572 O ILE A 38 10.878 -2.630 -1.065 1.00 0.00 O ATOM 573 CB ILE A 38 13.172 -3.097 0.723 1.00 0.00 C ATOM 574 CG1 ILE A 38 12.782 -2.057 1.778 1.00 0.00 C ATOM 575 CG2 ILE A 38 13.577 -2.417 -0.576 1.00 0.00 C ATOM 576 CD1 ILE A 38 13.903 -1.720 2.736 1.00 0.00 C ATOM 0 H ILE A 38 12.375 -4.867 -1.430 1.00 0.00 H new ATOM 0 HA ILE A 38 11.750 -4.560 1.423 1.00 0.00 H new ATOM 0 HB ILE A 38 14.028 -3.660 1.096 1.00 0.00 H new ATOM 0 HG12 ILE A 38 12.458 -1.146 1.276 1.00 0.00 H new ATOM 0 HG13 ILE A 38 11.929 -2.429 2.346 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.399 -1.727 -0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 38 13.896 -3.170 -1.297 1.00 0.00 H new ATOM 0 HG23 ILE A 38 12.727 -1.866 -0.979 1.00 0.00 H new ATOM 0 HD11 ILE A 38 13.556 -0.978 3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.213 -2.621 3.265 1.00 0.00 H new ATOM 0 HD13 ILE A 38 14.749 -1.318 2.179 1.00 0.00 H new ATOM 588 N PHE A 39 9.682 -3.420 0.668 1.00 0.00 N ATOM 589 CA PHE A 39 8.457 -2.732 0.277 1.00 0.00 C ATOM 590 C PHE A 39 8.410 -1.327 0.866 1.00 0.00 C ATOM 591 O PHE A 39 8.647 -1.134 2.059 1.00 0.00 O ATOM 592 CB PHE A 39 7.233 -3.529 0.731 1.00 0.00 C ATOM 593 CG PHE A 39 7.220 -4.946 0.233 1.00 0.00 C ATOM 594 CD1 PHE A 39 7.885 -5.945 0.928 1.00 0.00 C ATOM 595 CD2 PHE A 39 6.542 -5.281 -0.929 1.00 0.00 C ATOM 596 CE1 PHE A 39 7.875 -7.249 0.472 1.00 0.00 C ATOM 597 CE2 PHE A 39 6.529 -6.584 -1.389 1.00 0.00 C ATOM 598 CZ PHE A 39 7.196 -7.569 -0.687 1.00 0.00 C ATOM 0 H PHE A 39 9.599 -3.979 1.517 1.00 0.00 H new ATOM 0 HA PHE A 39 8.447 -2.651 -0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.197 -3.535 1.820 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.332 -3.023 0.385 1.00 0.00 H new ATOM 0 HD1 PHE A 39 8.417 -5.701 1.836 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.018 -4.515 -1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 39 8.398 -8.018 1.022 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.998 -6.832 -2.296 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.186 -8.588 -1.044 1.00 0.00 H new ATOM 608 N GLU A 40 8.103 -0.347 0.022 1.00 0.00 N ATOM 609 CA GLU A 40 8.023 1.042 0.458 1.00 0.00 C ATOM 610 C GLU A 40 6.606 1.581 0.299 1.00 0.00 C ATOM 611 O GLU A 40 6.133 1.793 -0.817 1.00 0.00 O ATOM 612 CB GLU A 40 9.003 1.904 -0.340 1.00 0.00 C ATOM 613 CG GLU A 40 9.390 3.194 0.364 1.00 0.00 C ATOM 614 CD GLU A 40 8.634 4.398 -0.165 1.00 0.00 C ATOM 615 OE1 GLU A 40 7.558 4.204 -0.771 1.00 0.00 O ATOM 616 OE2 GLU A 40 9.117 5.533 0.026 1.00 0.00 O ATOM 0 H GLU A 40 7.905 -0.490 -0.968 1.00 0.00 H new ATOM 0 HA GLU A 40 8.290 1.083 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.904 1.324 -0.540 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.559 2.146 -1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.200 3.091 1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.461 3.361 0.245 1.00 0.00 H new ATOM 623 N ILE A 41 5.932 1.801 1.424 1.00 0.00 N ATOM 624 CA ILE A 41 4.570 2.315 1.409 1.00 0.00 C ATOM 625 C ILE A 41 4.534 3.790 1.790 1.00 0.00 C ATOM 626 O ILE A 41 4.949 4.168 2.886 1.00 0.00 O ATOM 627 CB ILE A 41 3.659 1.526 2.370 1.00 0.00 C ATOM 628 CG1 ILE A 41 3.831 0.021 2.154 1.00 0.00 C ATOM 629 CG2 ILE A 41 2.207 1.932 2.174 1.00 0.00 C ATOM 630 CD1 ILE A 41 3.311 -0.817 3.301 1.00 0.00 C ATOM 0 H ILE A 41 6.308 1.631 2.357 1.00 0.00 H new ATOM 0 HA ILE A 41 4.200 2.196 0.391 1.00 0.00 H new ATOM 0 HB ILE A 41 3.948 1.761 3.395 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.313 -0.268 1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.888 -0.198 2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.575 1.367 2.859 1.00 0.00 H new ATOM 0 HG22 ILE A 41 2.097 2.998 2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.906 1.723 1.147 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.466 -1.873 3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.846 -0.556 4.214 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.246 -0.627 3.437 1.00 0.00 H new ATOM 642 N SER A 42 4.037 4.620 0.880 1.00 0.00 N ATOM 643 CA SER A 42 3.947 6.054 1.122 1.00 0.00 C ATOM 644 C SER A 42 2.534 6.444 1.554 1.00 0.00 C ATOM 645 O SER A 42 1.589 6.345 0.772 1.00 0.00 O ATOM 646 CB SER A 42 4.338 6.830 -0.137 1.00 0.00 C ATOM 647 OG SER A 42 5.746 6.900 -0.277 1.00 0.00 O ATOM 0 H SER A 42 3.690 4.324 -0.032 1.00 0.00 H new ATOM 0 HA SER A 42 4.638 6.306 1.926 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.906 6.348 -1.014 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.924 7.837 -0.090 1.00 0.00 H new ATOM 0 HG SER A 42 6.173 6.542 0.529 1.00 0.00 H new ATOM 653 N PRO A 43 2.366 6.897 2.811 1.00 0.00 N ATOM 654 CA PRO A 43 1.054 7.301 3.333 1.00 0.00 C ATOM 655 C PRO A 43 0.534 8.572 2.671 1.00 0.00 C ATOM 656 O PRO A 43 1.184 9.616 2.713 1.00 0.00 O ATOM 657 CB PRO A 43 1.319 7.544 4.821 1.00 0.00 C ATOM 658 CG PRO A 43 2.772 7.860 4.900 1.00 0.00 C ATOM 659 CD PRO A 43 3.431 7.053 3.819 1.00 0.00 C ATOM 0 HA PRO A 43 0.291 6.546 3.141 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.714 8.367 5.202 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.072 6.665 5.416 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.948 8.926 4.753 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.175 7.602 5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 43 4.301 7.566 3.408 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.776 6.088 4.191 1.00 0.00 H new ATOM 667 N THR A 44 -0.641 8.475 2.058 1.00 0.00 N ATOM 668 CA THR A 44 -1.250 9.617 1.386 1.00 0.00 C ATOM 669 C THR A 44 -2.119 10.418 2.351 1.00 0.00 C ATOM 670 O THR A 44 -2.365 9.993 3.479 1.00 0.00 O ATOM 671 CB THR A 44 -2.088 9.148 0.196 1.00 0.00 C ATOM 672 OG1 THR A 44 -2.895 8.042 0.557 1.00 0.00 O ATOM 673 CG2 THR A 44 -1.254 8.739 -0.999 1.00 0.00 C ATOM 0 H THR A 44 -1.191 7.617 2.013 1.00 0.00 H new ATOM 0 HA THR A 44 -0.449 10.263 1.026 1.00 0.00 H new ATOM 0 HB THR A 44 -2.698 10.007 -0.085 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.981 7.436 -0.208 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.910 8.417 -1.808 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.656 9.587 -1.333 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.594 7.918 -0.718 1.00 0.00 H new ATOM 681 N GLU A 45 -2.581 11.578 1.898 1.00 0.00 N ATOM 682 CA GLU A 45 -3.423 12.440 2.720 1.00 0.00 C ATOM 683 C GLU A 45 -4.844 11.889 2.805 1.00 0.00 C ATOM 684 O GLU A 45 -5.471 11.922 3.864 1.00 0.00 O ATOM 685 CB GLU A 45 -3.448 13.858 2.151 1.00 0.00 C ATOM 686 CG GLU A 45 -3.593 14.938 3.212 1.00 0.00 C ATOM 687 CD GLU A 45 -3.850 16.309 2.617 1.00 0.00 C ATOM 688 OE1 GLU A 45 -3.043 16.750 1.772 1.00 0.00 O ATOM 689 OE2 GLU A 45 -4.858 16.940 2.997 1.00 0.00 O ATOM 0 H GLU A 45 -2.387 11.943 0.966 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.001 12.467 3.725 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.529 14.032 1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.273 13.942 1.444 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.413 14.677 3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.687 14.972 3.816 1.00 0.00 H new ATOM 696 N GLU A 46 -5.344 11.383 1.683 1.00 0.00 N ATOM 697 CA GLU A 46 -6.690 10.824 1.631 1.00 0.00 C ATOM 698 C GLU A 46 -6.701 9.382 2.129 1.00 0.00 C ATOM 699 O GLU A 46 -5.723 8.653 1.967 1.00 0.00 O ATOM 700 CB GLU A 46 -7.237 10.892 0.202 1.00 0.00 C ATOM 701 CG GLU A 46 -8.544 11.658 0.086 1.00 0.00 C ATOM 702 CD GLU A 46 -8.336 13.115 -0.277 1.00 0.00 C ATOM 703 OE1 GLU A 46 -7.360 13.717 0.218 1.00 0.00 O ATOM 704 OE2 GLU A 46 -9.149 13.654 -1.058 1.00 0.00 O ATOM 0 H GLU A 46 -4.838 11.348 0.798 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.330 11.417 2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.492 11.361 -0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.386 9.878 -0.170 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.172 11.185 -0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.082 11.596 1.032 1.00 0.00 H new ATOM 711 N VAL A 47 -7.813 8.978 2.733 1.00 0.00 N ATOM 712 CA VAL A 47 -7.951 7.624 3.255 1.00 0.00 C ATOM 713 C VAL A 47 -8.352 6.650 2.150 1.00 0.00 C ATOM 714 O VAL A 47 -9.000 7.032 1.176 1.00 0.00 O ATOM 715 CB VAL A 47 -8.993 7.562 4.389 1.00 0.00 C ATOM 716 CG1 VAL A 47 -10.366 7.978 3.881 1.00 0.00 C ATOM 717 CG2 VAL A 47 -9.041 6.168 4.998 1.00 0.00 C ATOM 0 H VAL A 47 -8.632 9.569 2.873 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.979 7.335 3.654 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.693 8.263 5.168 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -11.087 7.927 4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.319 8.999 3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.677 7.307 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.783 6.145 5.797 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.313 5.444 4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.062 5.915 5.405 1.00 0.00 H new ATOM 727 N GLY A 48 -7.960 5.390 2.309 1.00 0.00 N ATOM 728 CA GLY A 48 -8.288 4.381 1.318 1.00 0.00 C ATOM 729 C GLY A 48 -7.205 4.225 0.268 1.00 0.00 C ATOM 730 O GLY A 48 -6.695 3.127 0.052 1.00 0.00 O ATOM 0 H GLY A 48 -7.422 5.050 3.106 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -8.447 3.425 1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.226 4.646 0.831 1.00 0.00 H new ATOM 734 N ASP A 49 -6.853 5.329 -0.385 1.00 0.00 N ATOM 735 CA ASP A 49 -5.823 5.309 -1.417 1.00 0.00 C ATOM 736 C ASP A 49 -4.439 5.130 -0.802 1.00 0.00 C ATOM 737 O ASP A 49 -4.050 5.867 0.104 1.00 0.00 O ATOM 738 CB ASP A 49 -5.867 6.602 -2.234 1.00 0.00 C ATOM 739 CG ASP A 49 -6.770 6.489 -3.446 1.00 0.00 C ATOM 740 OD1 ASP A 49 -6.748 5.429 -4.106 1.00 0.00 O ATOM 741 OD2 ASP A 49 -7.502 7.460 -3.734 1.00 0.00 O ATOM 0 H ASP A 49 -7.265 6.247 -0.218 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.020 4.463 -2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.215 7.418 -1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.858 6.858 -2.558 1.00 0.00 H new ATOM 746 N PHE A 50 -3.699 4.144 -1.300 1.00 0.00 N ATOM 747 CA PHE A 50 -2.358 3.866 -0.800 1.00 0.00 C ATOM 748 C PHE A 50 -1.360 3.768 -1.949 1.00 0.00 C ATOM 749 O PHE A 50 -1.743 3.584 -3.103 1.00 0.00 O ATOM 750 CB PHE A 50 -2.351 2.570 0.010 1.00 0.00 C ATOM 751 CG PHE A 50 -3.340 2.562 1.139 1.00 0.00 C ATOM 752 CD1 PHE A 50 -3.379 3.605 2.050 1.00 0.00 C ATOM 753 CD2 PHE A 50 -4.230 1.512 1.291 1.00 0.00 C ATOM 754 CE1 PHE A 50 -4.288 3.602 3.091 1.00 0.00 C ATOM 755 CE2 PHE A 50 -5.142 1.502 2.330 1.00 0.00 C ATOM 756 CZ PHE A 50 -5.171 2.548 3.230 1.00 0.00 C ATOM 0 H PHE A 50 -4.006 3.524 -2.050 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.060 4.691 -0.153 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.565 1.734 -0.656 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.351 2.408 0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.691 4.431 1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.211 0.691 0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -4.308 4.421 3.794 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.831 0.677 2.437 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.883 2.543 4.042 1.00 0.00 H new ATOM 766 N GLU A 51 -0.077 3.891 -1.623 1.00 0.00 N ATOM 767 CA GLU A 51 0.977 3.816 -2.628 1.00 0.00 C ATOM 768 C GLU A 51 2.018 2.768 -2.249 1.00 0.00 C ATOM 769 O GLU A 51 2.896 3.020 -1.424 1.00 0.00 O ATOM 770 CB GLU A 51 1.649 5.181 -2.796 1.00 0.00 C ATOM 771 CG GLU A 51 2.043 5.492 -4.230 1.00 0.00 C ATOM 772 CD GLU A 51 1.722 6.921 -4.627 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.612 7.392 -4.299 1.00 0.00 O ATOM 774 OE2 GLU A 51 2.580 7.567 -5.263 1.00 0.00 O ATOM 0 H GLU A 51 0.257 4.043 -0.671 1.00 0.00 H new ATOM 0 HA GLU A 51 0.521 3.524 -3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.972 5.957 -2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.539 5.219 -2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.111 5.315 -4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.525 4.807 -4.902 1.00 0.00 H new ATOM 781 N VAL A 52 1.912 1.589 -2.855 1.00 0.00 N ATOM 782 CA VAL A 52 2.843 0.502 -2.580 1.00 0.00 C ATOM 783 C VAL A 52 3.896 0.390 -3.679 1.00 0.00 C ATOM 784 O VAL A 52 3.584 0.500 -4.865 1.00 0.00 O ATOM 785 CB VAL A 52 2.111 -0.846 -2.447 1.00 0.00 C ATOM 786 CG1 VAL A 52 3.065 -1.928 -1.966 1.00 0.00 C ATOM 787 CG2 VAL A 52 0.922 -0.718 -1.507 1.00 0.00 C ATOM 0 H VAL A 52 1.190 1.363 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 52 3.331 0.736 -1.634 1.00 0.00 H new ATOM 0 HB VAL A 52 1.739 -1.134 -3.430 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.529 -2.873 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.880 -2.038 -2.681 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.471 -1.649 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.417 -1.681 -1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.269 -0.406 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.227 0.024 -1.899 1.00 0.00 H new ATOM 797 N LYS A 53 5.143 0.169 -3.277 1.00 0.00 N ATOM 798 CA LYS A 53 6.242 0.042 -4.228 1.00 0.00 C ATOM 799 C LYS A 53 7.227 -1.034 -3.781 1.00 0.00 C ATOM 800 O LYS A 53 7.243 -1.430 -2.616 1.00 0.00 O ATOM 801 CB LYS A 53 6.966 1.380 -4.383 1.00 0.00 C ATOM 802 CG LYS A 53 7.913 1.424 -5.571 1.00 0.00 C ATOM 803 CD LYS A 53 8.045 2.833 -6.127 1.00 0.00 C ATOM 804 CE LYS A 53 9.387 3.040 -6.808 1.00 0.00 C ATOM 805 NZ LYS A 53 10.455 3.404 -5.836 1.00 0.00 N ATOM 0 H LYS A 53 5.418 0.074 -2.299 1.00 0.00 H new ATOM 0 HA LYS A 53 5.824 -0.251 -5.191 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.227 2.174 -4.489 1.00 0.00 H new ATOM 0 HB3 LYS A 53 7.528 1.587 -3.473 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.894 1.058 -5.269 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.550 0.756 -6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.242 3.021 -6.839 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.930 3.556 -5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.671 2.129 -7.334 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.296 3.826 -7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.354 3.536 -6.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.197 4.287 -5.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.561 2.643 -5.135 1.00 0.00 H new ATOM 819 N ALA A 54 8.046 -1.504 -4.716 1.00 0.00 N ATOM 820 CA ALA A 54 9.033 -2.535 -4.419 1.00 0.00 C ATOM 821 C ALA A 54 10.404 -2.161 -4.974 1.00 0.00 C ATOM 822 O ALA A 54 10.670 -2.329 -6.164 1.00 0.00 O ATOM 823 CB ALA A 54 8.581 -3.874 -4.981 1.00 0.00 C ATOM 0 H ALA A 54 8.046 -1.187 -5.686 1.00 0.00 H new ATOM 0 HA ALA A 54 9.120 -2.618 -3.336 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.327 -4.635 -4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.628 -4.154 -4.532 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.464 -3.794 -6.062 1.00 0.00 H new ATOM 974 N PHE A 64 2.264 1.329 -7.573 1.00 0.00 N ATOM 975 CA PHE A 64 1.151 0.405 -7.384 1.00 0.00 C ATOM 976 C PHE A 64 0.155 0.954 -6.368 1.00 0.00 C ATOM 977 O PHE A 64 0.463 1.072 -5.183 1.00 0.00 O ATOM 978 CB PHE A 64 1.668 -0.958 -6.921 1.00 0.00 C ATOM 979 CG PHE A 64 0.588 -1.993 -6.775 1.00 0.00 C ATOM 980 CD1 PHE A 64 -0.104 -2.125 -5.582 1.00 0.00 C ATOM 981 CD2 PHE A 64 0.266 -2.831 -7.829 1.00 0.00 C ATOM 982 CE1 PHE A 64 -1.099 -3.074 -5.444 1.00 0.00 C ATOM 983 CE2 PHE A 64 -0.728 -3.783 -7.698 1.00 0.00 C ATOM 984 CZ PHE A 64 -1.411 -3.905 -6.503 1.00 0.00 C ATOM 0 HA PHE A 64 0.641 0.289 -8.340 1.00 0.00 H new ATOM 0 HB2 PHE A 64 2.410 -1.317 -7.634 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.177 -0.839 -5.965 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.137 -1.479 -4.751 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.798 -2.740 -8.765 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.632 -3.166 -4.509 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.970 -4.430 -8.528 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.187 -4.648 -6.397 1.00 0.00 H new ATOM 994 N MET A 65 -1.041 1.290 -6.842 1.00 0.00 N ATOM 995 CA MET A 65 -2.083 1.828 -5.974 1.00 0.00 C ATOM 996 C MET A 65 -2.946 0.707 -5.401 1.00 0.00 C ATOM 997 O MET A 65 -3.679 0.039 -6.131 1.00 0.00 O ATOM 998 CB MET A 65 -2.958 2.816 -6.746 1.00 0.00 C ATOM 999 CG MET A 65 -3.559 3.906 -5.874 1.00 0.00 C ATOM 1000 SD MET A 65 -4.349 5.211 -6.838 1.00 0.00 S ATOM 1001 CE MET A 65 -5.947 4.469 -7.163 1.00 0.00 C ATOM 0 H MET A 65 -1.312 1.199 -7.821 1.00 0.00 H new ATOM 0 HA MET A 65 -1.600 2.349 -5.148 1.00 0.00 H new ATOM 0 HB2 MET A 65 -2.362 3.279 -7.533 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.763 2.269 -7.236 1.00 0.00 H new ATOM 0 HG2 MET A 65 -4.292 3.463 -5.200 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.776 4.342 -5.253 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.147 4.491 -8.234 1.00 0.00 H new ATOM 0 HE2 MET A 65 -5.946 3.436 -6.815 1.00 0.00 H new ATOM 0 HE3 MET A 65 -6.721 5.028 -6.638 1.00 0.00 H new ATOM 1011 N LEU A 66 -2.851 0.507 -4.091 1.00 0.00 N ATOM 1012 CA LEU A 66 -3.622 -0.534 -3.421 1.00 0.00 C ATOM 1013 C LEU A 66 -4.914 0.035 -2.841 1.00 0.00 C ATOM 1014 O LEU A 66 -4.887 0.854 -1.923 1.00 0.00 O ATOM 1015 CB LEU A 66 -2.791 -1.177 -2.308 1.00 0.00 C ATOM 1016 CG LEU A 66 -3.497 -2.291 -1.535 1.00 0.00 C ATOM 1017 CD1 LEU A 66 -3.742 -3.493 -2.435 1.00 0.00 C ATOM 1018 CD2 LEU A 66 -2.679 -2.694 -0.317 1.00 0.00 C ATOM 0 H LEU A 66 -2.249 1.051 -3.473 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.879 -1.294 -4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.878 -1.581 -2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.492 -0.400 -1.604 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.462 -1.916 -1.194 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.245 -4.276 -1.868 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.367 -3.196 -3.277 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.789 -3.870 -2.806 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.196 -3.488 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.700 -3.051 -0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.554 -1.832 0.339 1.00 0.00 H new ATOM 1030 N HIS A 67 -6.044 -0.405 -3.386 1.00 0.00 N ATOM 1031 CA HIS A 67 -7.346 0.061 -2.922 1.00 0.00 C ATOM 1032 C HIS A 67 -7.900 -0.860 -1.840 1.00 0.00 C ATOM 1033 O HIS A 67 -7.623 -2.059 -1.828 1.00 0.00 O ATOM 1034 CB HIS A 67 -8.328 0.141 -4.094 1.00 0.00 C ATOM 1035 CG HIS A 67 -9.048 1.451 -4.182 1.00 0.00 C ATOM 1036 ND1 HIS A 67 -8.496 2.579 -4.753 1.00 0.00 N ATOM 1037 CD2 HIS A 67 -10.286 1.811 -3.766 1.00 0.00 C ATOM 1038 CE1 HIS A 67 -9.362 3.574 -4.685 1.00 0.00 C ATOM 1039 NE2 HIS A 67 -10.456 3.134 -4.091 1.00 0.00 N ATOM 0 H HIS A 67 -6.084 -1.082 -4.148 1.00 0.00 H new ATOM 0 HA HIS A 67 -7.218 1.056 -2.495 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -7.786 -0.030 -5.024 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -9.060 -0.661 -4.000 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -11.005 1.176 -3.271 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -9.202 4.577 -5.053 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -11.292 3.687 -3.904 1.00 0.00 H new ATOM 1048 N TYR A 68 -8.684 -0.290 -0.930 1.00 0.00 N ATOM 1049 CA TYR A 68 -9.277 -1.058 0.159 1.00 0.00 C ATOM 1050 C TYR A 68 -10.416 -1.935 -0.353 1.00 0.00 C ATOM 1051 O TYR A 68 -10.665 -3.018 0.176 1.00 0.00 O ATOM 1052 CB TYR A 68 -9.791 -0.121 1.252 1.00 0.00 C ATOM 1053 CG TYR A 68 -9.754 -0.726 2.637 1.00 0.00 C ATOM 1054 CD1 TYR A 68 -10.551 -1.817 2.962 1.00 0.00 C ATOM 1055 CD2 TYR A 68 -8.921 -0.206 3.621 1.00 0.00 C ATOM 1056 CE1 TYR A 68 -10.521 -2.372 4.227 1.00 0.00 C ATOM 1057 CE2 TYR A 68 -8.885 -0.755 4.888 1.00 0.00 C ATOM 1058 CZ TYR A 68 -9.686 -1.838 5.186 1.00 0.00 C ATOM 1059 OH TYR A 68 -9.653 -2.388 6.447 1.00 0.00 O ATOM 0 H TYR A 68 -8.923 0.702 -0.925 1.00 0.00 H new ATOM 0 HA TYR A 68 -8.505 -1.703 0.578 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.194 0.791 1.247 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.816 0.168 1.018 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.205 -2.238 2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.292 0.641 3.391 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.148 -3.219 4.463 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -8.233 -0.339 5.642 1.00 0.00 H new ATOM 0 HH TYR A 68 -9.013 -1.896 7.002 1.00 0.00 H new ATOM 1069 N GLN A 69 -11.105 -1.458 -1.383 1.00 0.00 N ATOM 1070 CA GLN A 69 -12.219 -2.197 -1.966 1.00 0.00 C ATOM 1071 C GLN A 69 -11.756 -3.549 -2.499 1.00 0.00 C ATOM 1072 O GLN A 69 -12.509 -4.523 -2.489 1.00 0.00 O ATOM 1073 CB GLN A 69 -12.865 -1.385 -3.090 1.00 0.00 C ATOM 1074 CG GLN A 69 -14.385 -1.420 -3.071 1.00 0.00 C ATOM 1075 CD GLN A 69 -14.961 -2.331 -4.137 1.00 0.00 C ATOM 1076 OE1 GLN A 69 -14.551 -2.284 -5.298 1.00 0.00 O ATOM 1077 NE2 GLN A 69 -15.918 -3.166 -3.750 1.00 0.00 N ATOM 0 H GLN A 69 -10.912 -0.563 -1.832 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.957 -2.370 -1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.533 -0.349 -3.016 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -12.513 -1.765 -4.049 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.725 -1.754 -2.091 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.770 -0.410 -3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -16.228 -3.172 -2.778 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -16.344 -3.802 -4.425 1.00 0.00 H new ATOM 1086 N ASP A 70 -10.511 -3.602 -2.963 1.00 0.00 N ATOM 1087 CA ASP A 70 -9.947 -4.835 -3.499 1.00 0.00 C ATOM 1088 C ASP A 70 -9.639 -5.824 -2.380 1.00 0.00 C ATOM 1089 O ASP A 70 -9.769 -7.035 -2.555 1.00 0.00 O ATOM 1090 CB ASP A 70 -8.676 -4.535 -4.296 1.00 0.00 C ATOM 1091 CG ASP A 70 -8.577 -5.366 -5.560 1.00 0.00 C ATOM 1092 OD1 ASP A 70 -9.153 -6.475 -5.588 1.00 0.00 O ATOM 1093 OD2 ASP A 70 -7.925 -4.909 -6.522 1.00 0.00 O ATOM 0 H ASP A 70 -9.874 -2.805 -2.978 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.686 -5.285 -4.163 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.656 -3.477 -4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.804 -4.726 -3.670 1.00 0.00 H new ATOM 1098 N LEU A 71 -9.230 -5.298 -1.230 1.00 0.00 N ATOM 1099 CA LEU A 71 -8.903 -6.135 -0.081 1.00 0.00 C ATOM 1100 C LEU A 71 -10.138 -6.876 0.420 1.00 0.00 C ATOM 1101 O LEU A 71 -10.090 -8.077 0.683 1.00 0.00 O ATOM 1102 CB LEU A 71 -8.312 -5.285 1.045 1.00 0.00 C ATOM 1103 CG LEU A 71 -7.021 -4.546 0.691 1.00 0.00 C ATOM 1104 CD1 LEU A 71 -6.532 -3.728 1.876 1.00 0.00 C ATOM 1105 CD2 LEU A 71 -5.951 -5.530 0.242 1.00 0.00 C ATOM 0 H LEU A 71 -9.117 -4.297 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.163 -6.870 -0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.057 -4.553 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.120 -5.929 1.903 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.229 -3.864 -0.133 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.612 -3.209 1.605 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.293 -2.998 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.340 -4.390 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.039 -4.987 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.746 -6.236 1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.301 -6.072 -0.636 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.244 -6.150 0.550 1.00 0.00 N ATOM 1118 CA LEU A 72 -12.493 -6.737 1.019 1.00 0.00 C ATOM 1119 C LEU A 72 -13.096 -7.655 -0.039 1.00 0.00 C ATOM 1120 O LEU A 72 -13.778 -8.627 0.285 1.00 0.00 O ATOM 1121 CB LEU A 72 -13.491 -5.637 1.385 1.00 0.00 C ATOM 1122 CG LEU A 72 -12.946 -4.551 2.315 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -13.812 -3.304 2.246 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -12.864 -5.067 3.743 1.00 0.00 C ATOM 0 H LEU A 72 -11.300 -5.154 0.337 1.00 0.00 H new ATOM 0 HA LEU A 72 -12.275 -7.331 1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -13.841 -5.165 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.358 -6.097 1.858 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.941 -4.288 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -13.408 -2.543 2.914 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -13.820 -2.923 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.830 -3.550 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.474 -4.282 4.392 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -13.858 -5.358 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.201 -5.931 3.780 1.00 0.00 H new ATOM 1136 N GLN A 73 -12.839 -7.341 -1.305 1.00 0.00 N ATOM 1137 CA GLN A 73 -13.357 -8.137 -2.411 1.00 0.00 C ATOM 1138 C GLN A 73 -12.887 -9.585 -2.308 1.00 0.00 C ATOM 1139 O GLN A 73 -13.584 -10.507 -2.732 1.00 0.00 O ATOM 1140 CB GLN A 73 -12.916 -7.539 -3.748 1.00 0.00 C ATOM 1141 CG GLN A 73 -13.984 -7.607 -4.827 1.00 0.00 C ATOM 1142 CD GLN A 73 -14.089 -8.982 -5.458 1.00 0.00 C ATOM 1143 OE1 GLN A 73 -13.176 -9.431 -6.150 1.00 0.00 O ATOM 1144 NE2 GLN A 73 -15.208 -9.657 -5.222 1.00 0.00 N ATOM 0 H GLN A 73 -12.275 -6.540 -1.590 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.446 -8.123 -2.356 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -12.632 -6.498 -3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -12.026 -8.064 -4.096 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -14.948 -7.334 -4.397 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.761 -6.872 -5.601 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.939 -9.245 -4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.336 -10.587 -5.621 1.00 0.00 H new ATOM 1153 N LEU A 74 -11.700 -9.777 -1.742 1.00 0.00 N ATOM 1154 CA LEU A 74 -11.135 -11.112 -1.583 1.00 0.00 C ATOM 1155 C LEU A 74 -11.623 -11.757 -0.289 1.00 0.00 C ATOM 1156 O LEU A 74 -11.854 -12.964 -0.235 1.00 0.00 O ATOM 1157 CB LEU A 74 -9.606 -11.047 -1.590 1.00 0.00 C ATOM 1158 CG LEU A 74 -8.984 -10.593 -2.911 1.00 0.00 C ATOM 1159 CD1 LEU A 74 -7.508 -10.277 -2.724 1.00 0.00 C ATOM 1160 CD2 LEU A 74 -9.172 -11.657 -3.982 1.00 0.00 C ATOM 0 H LEU A 74 -11.111 -9.025 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.468 -11.723 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -9.283 -10.368 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.214 -12.033 -1.341 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.491 -9.685 -3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.082 -9.956 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.397 -9.480 -1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.986 -11.168 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.723 -11.317 -4.915 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.691 -12.582 -3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -10.236 -11.835 -4.135 1.00 0.00 H new ATOM 1172 N GLN A 75 -11.776 -10.943 0.750 1.00 0.00 N ATOM 1173 CA GLN A 75 -12.236 -11.433 2.044 1.00 0.00 C ATOM 1174 C GLN A 75 -13.710 -11.822 1.984 1.00 0.00 C ATOM 1175 O GLN A 75 -14.153 -12.725 2.695 1.00 0.00 O ATOM 1176 CB GLN A 75 -12.019 -10.371 3.123 1.00 0.00 C ATOM 1177 CG GLN A 75 -11.610 -10.947 4.468 1.00 0.00 C ATOM 1178 CD GLN A 75 -11.990 -10.046 5.627 1.00 0.00 C ATOM 1179 OE1 GLN A 75 -13.131 -10.056 6.088 1.00 0.00 O ATOM 1180 NE2 GLN A 75 -11.032 -9.260 6.105 1.00 0.00 N ATOM 0 H GLN A 75 -11.588 -9.941 0.721 1.00 0.00 H new ATOM 0 HA GLN A 75 -11.654 -12.319 2.297 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -11.251 -9.674 2.787 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.938 -9.797 3.247 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -12.081 -11.921 4.600 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -10.532 -11.110 4.477 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.099 -9.284 5.692 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.229 -8.632 6.885 1.00 0.00 H new ATOM 1189 N TYR A 76 -14.466 -11.135 1.133 1.00 0.00 N ATOM 1190 CA TYR A 76 -15.890 -11.409 0.983 1.00 0.00 C ATOM 1191 C TYR A 76 -16.115 -12.741 0.273 1.00 0.00 C ATOM 1192 O TYR A 76 -17.025 -13.494 0.619 1.00 0.00 O ATOM 1193 CB TYR A 76 -16.570 -10.282 0.205 1.00 0.00 C ATOM 1194 CG TYR A 76 -18.078 -10.396 0.167 1.00 0.00 C ATOM 1195 CD1 TYR A 76 -18.841 -10.130 1.296 1.00 0.00 C ATOM 1196 CD2 TYR A 76 -18.735 -10.770 -0.998 1.00 0.00 C ATOM 1197 CE1 TYR A 76 -20.220 -10.234 1.266 1.00 0.00 C ATOM 1198 CE2 TYR A 76 -20.113 -10.876 -1.036 1.00 0.00 C ATOM 1199 CZ TYR A 76 -20.850 -10.607 0.098 1.00 0.00 C ATOM 1200 OH TYR A 76 -22.221 -10.712 0.064 1.00 0.00 O ATOM 0 H TYR A 76 -14.116 -10.385 0.537 1.00 0.00 H new ATOM 0 HA TYR A 76 -16.330 -11.469 1.979 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -16.297 -9.327 0.653 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -16.189 -10.275 -0.816 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -18.350 -9.837 2.212 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -18.161 -10.981 -1.888 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -20.800 -10.024 2.153 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -20.610 -11.168 -1.949 1.00 0.00 H new ATOM 0 HH TYR A 76 -22.506 -10.984 -0.833 1.00 0.00 H new ATOM 1210 N GLU A 77 -15.280 -13.024 -0.721 1.00 0.00 N ATOM 1211 CA GLU A 77 -15.389 -14.266 -1.478 1.00 0.00 C ATOM 1212 C GLU A 77 -14.798 -15.433 -0.694 1.00 0.00 C ATOM 1213 O GLU A 77 -15.523 -16.314 -0.231 1.00 0.00 O ATOM 1214 CB GLU A 77 -14.678 -14.131 -2.826 1.00 0.00 C ATOM 1215 CG GLU A 77 -15.579 -13.625 -3.941 1.00 0.00 C ATOM 1216 CD GLU A 77 -15.366 -14.369 -5.245 1.00 0.00 C ATOM 1217 OE1 GLU A 77 -15.417 -15.617 -5.232 1.00 0.00 O ATOM 1218 OE2 GLU A 77 -15.146 -13.704 -6.279 1.00 0.00 O ATOM 0 H GLU A 77 -14.522 -12.412 -1.021 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.447 -14.465 -1.651 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -13.834 -13.451 -2.715 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.271 -15.101 -3.111 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.620 -13.725 -3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.394 -12.562 -4.099 1.00 0.00 H new ATOM 1225 N GLY A 78 -13.477 -15.432 -0.548 1.00 0.00 N ATOM 1226 CA GLY A 78 -12.810 -16.495 0.181 1.00 0.00 C ATOM 1227 C GLY A 78 -11.385 -16.711 -0.286 1.00 0.00 C ATOM 1228 O GLY A 78 -10.953 -17.847 -0.480 1.00 0.00 O ATOM 0 H GLY A 78 -12.856 -14.714 -0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -12.808 -16.257 1.245 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.372 -17.421 0.063 1.00 0.00 H new ATOM 1232 N VAL A 79 -10.653 -15.617 -0.469 1.00 0.00 N ATOM 1233 CA VAL A 79 -9.267 -15.689 -0.917 1.00 0.00 C ATOM 1234 C VAL A 79 -8.325 -15.089 0.119 1.00 0.00 C ATOM 1235 O VAL A 79 -8.144 -13.872 0.177 1.00 0.00 O ATOM 1236 CB VAL A 79 -9.070 -14.958 -2.259 1.00 0.00 C ATOM 1237 CG1 VAL A 79 -7.683 -15.233 -2.819 1.00 0.00 C ATOM 1238 CG2 VAL A 79 -10.146 -15.367 -3.253 1.00 0.00 C ATOM 0 H VAL A 79 -10.997 -14.669 -0.314 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.032 -16.745 -1.051 1.00 0.00 H new ATOM 0 HB VAL A 79 -9.159 -13.886 -2.084 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.563 -14.708 -3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.930 -14.884 -2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.561 -16.304 -2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -9.990 -14.841 -4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.093 -16.442 -3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -11.127 -15.112 -2.853 1.00 0.00 H new ATOM 1248 N ALA A 80 -7.726 -15.949 0.935 1.00 0.00 N ATOM 1249 CA ALA A 80 -6.803 -15.505 1.971 1.00 0.00 C ATOM 1250 C ALA A 80 -5.448 -15.114 1.386 1.00 0.00 C ATOM 1251 O ALA A 80 -4.640 -14.465 2.050 1.00 0.00 O ATOM 1252 CB ALA A 80 -6.629 -16.591 3.022 1.00 0.00 C ATOM 0 H ALA A 80 -7.864 -16.959 0.898 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.231 -14.619 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.937 -16.246 3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.594 -16.815 3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.231 -17.491 2.553 1.00 0.00 H new ATOM 1258 N VAL A 81 -5.199 -15.512 0.140 1.00 0.00 N ATOM 1259 CA VAL A 81 -3.938 -15.200 -0.523 1.00 0.00 C ATOM 1260 C VAL A 81 -4.142 -14.220 -1.673 1.00 0.00 C ATOM 1261 O VAL A 81 -5.051 -14.383 -2.488 1.00 0.00 O ATOM 1262 CB VAL A 81 -3.258 -16.471 -1.066 1.00 0.00 C ATOM 1263 CG1 VAL A 81 -1.846 -16.162 -1.538 1.00 0.00 C ATOM 1264 CG2 VAL A 81 -3.247 -17.565 -0.008 1.00 0.00 C ATOM 0 H VAL A 81 -5.853 -16.050 -0.428 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.295 -14.743 0.229 1.00 0.00 H new ATOM 0 HB VAL A 81 -3.831 -16.830 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.382 -17.072 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.883 -15.415 -2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -1.260 -15.777 -0.704 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.763 -18.455 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.699 -17.218 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.271 -17.806 0.276 1.00 0.00 H new ATOM 1274 N MET A 82 -3.288 -13.204 -1.734 1.00 0.00 N ATOM 1275 CA MET A 82 -3.368 -12.196 -2.786 1.00 0.00 C ATOM 1276 C MET A 82 -2.190 -12.322 -3.747 1.00 0.00 C ATOM 1277 O MET A 82 -1.157 -12.898 -3.405 1.00 0.00 O ATOM 1278 CB MET A 82 -3.397 -10.794 -2.177 1.00 0.00 C ATOM 1279 CG MET A 82 -3.848 -9.717 -3.151 1.00 0.00 C ATOM 1280 SD MET A 82 -4.516 -8.263 -2.319 1.00 0.00 S ATOM 1281 CE MET A 82 -3.012 -7.488 -1.734 1.00 0.00 C ATOM 0 H MET A 82 -2.531 -13.056 -1.066 1.00 0.00 H new ATOM 0 HA MET A 82 -4.290 -12.360 -3.344 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.064 -10.795 -1.315 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.401 -10.546 -1.809 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.004 -9.419 -3.773 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.606 -10.129 -3.817 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.255 -6.546 -1.243 1.00 0.00 H new ATOM 0 HE2 MET A 82 -2.515 -8.149 -1.024 1.00 0.00 H new ATOM 0 HE3 MET A 82 -2.349 -7.297 -2.578 1.00 0.00 H new ATOM 1291 N LYS A 83 -2.350 -11.780 -4.950 1.00 0.00 N ATOM 1292 CA LYS A 83 -1.298 -11.832 -5.958 1.00 0.00 C ATOM 1293 C LYS A 83 -0.769 -10.436 -6.271 1.00 0.00 C ATOM 1294 O LYS A 83 -1.389 -9.679 -7.017 1.00 0.00 O ATOM 1295 CB LYS A 83 -1.821 -12.491 -7.237 1.00 0.00 C ATOM 1296 CG LYS A 83 -0.764 -12.649 -8.317 1.00 0.00 C ATOM 1297 CD LYS A 83 0.295 -13.663 -7.917 1.00 0.00 C ATOM 1298 CE LYS A 83 0.039 -15.019 -8.558 1.00 0.00 C ATOM 1299 NZ LYS A 83 1.307 -15.720 -8.900 1.00 0.00 N ATOM 0 H LYS A 83 -3.198 -11.300 -5.250 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.478 -12.428 -5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.226 -13.473 -6.990 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.645 -11.896 -7.631 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.237 -12.964 -9.247 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -0.292 -11.685 -8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.279 -13.299 -8.213 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.308 -13.769 -6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.546 -15.638 -7.877 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.558 -14.887 -9.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.089 -16.639 -9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.854 -15.142 -9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.865 -15.869 -8.035 1.00 0.00 H new ATOM 1313 N LEU A 84 0.383 -10.104 -5.698 1.00 0.00 N ATOM 1314 CA LEU A 84 0.999 -8.799 -5.916 1.00 0.00 C ATOM 1315 C LEU A 84 2.171 -8.909 -6.886 1.00 0.00 C ATOM 1316 O LEU A 84 3.012 -9.801 -6.760 1.00 0.00 O ATOM 1317 CB LEU A 84 1.472 -8.205 -4.587 1.00 0.00 C ATOM 1318 CG LEU A 84 0.433 -7.360 -3.849 1.00 0.00 C ATOM 1319 CD1 LEU A 84 0.920 -7.018 -2.449 1.00 0.00 C ATOM 1320 CD2 LEU A 84 0.123 -6.093 -4.632 1.00 0.00 C ATOM 0 H LEU A 84 0.910 -10.720 -5.079 1.00 0.00 H new ATOM 0 HA LEU A 84 0.250 -8.138 -6.352 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.786 -9.019 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.352 -7.589 -4.774 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.484 -7.942 -3.760 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.168 -6.416 -1.939 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.091 -7.937 -1.889 1.00 0.00 H new ATOM 0 HD13 LEU A 84 1.851 -6.455 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.618 -5.504 -4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.034 -5.507 -4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.270 -6.359 -5.613 1.00 0.00 H new ATOM 1332 N PHE A 85 2.222 -7.999 -7.852 1.00 0.00 N ATOM 1333 CA PHE A 85 3.291 -7.995 -8.846 1.00 0.00 C ATOM 1334 C PHE A 85 3.296 -9.292 -9.653 1.00 0.00 C ATOM 1335 O PHE A 85 4.303 -9.645 -10.268 1.00 0.00 O ATOM 1336 CB PHE A 85 4.648 -7.803 -8.165 1.00 0.00 C ATOM 1337 CG PHE A 85 4.811 -6.459 -7.514 1.00 0.00 C ATOM 1338 CD1 PHE A 85 4.867 -5.305 -8.280 1.00 0.00 C ATOM 1339 CD2 PHE A 85 4.911 -6.350 -6.136 1.00 0.00 C ATOM 1340 CE1 PHE A 85 5.019 -4.067 -7.684 1.00 0.00 C ATOM 1341 CE2 PHE A 85 5.063 -5.115 -5.534 1.00 0.00 C ATOM 1342 CZ PHE A 85 5.117 -3.972 -6.309 1.00 0.00 C ATOM 0 H PHE A 85 1.536 -7.254 -7.969 1.00 0.00 H new ATOM 0 HA PHE A 85 3.111 -7.165 -9.529 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.780 -8.580 -7.412 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.438 -7.937 -8.904 1.00 0.00 H new ATOM 0 HD1 PHE A 85 4.791 -5.374 -9.355 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.870 -7.240 -5.526 1.00 0.00 H new ATOM 0 HE1 PHE A 85 5.061 -3.175 -8.292 1.00 0.00 H new ATOM 0 HE2 PHE A 85 5.139 -5.043 -4.459 1.00 0.00 H new ATOM 0 HZ PHE A 85 5.236 -3.006 -5.841 1.00 0.00 H new ATOM 1352 N ASP A 86 2.167 -9.997 -9.648 1.00 0.00 N ATOM 1353 CA ASP A 86 2.046 -11.254 -10.380 1.00 0.00 C ATOM 1354 C ASP A 86 3.101 -12.262 -9.928 1.00 0.00 C ATOM 1355 O ASP A 86 3.412 -13.210 -10.650 1.00 0.00 O ATOM 1356 CB ASP A 86 2.172 -11.004 -11.885 1.00 0.00 C ATOM 1357 CG ASP A 86 0.832 -11.057 -12.593 1.00 0.00 C ATOM 1358 OD1 ASP A 86 0.115 -12.067 -12.434 1.00 0.00 O ATOM 1359 OD2 ASP A 86 0.500 -10.088 -13.307 1.00 0.00 O ATOM 0 H ASP A 86 1.324 -9.719 -9.146 1.00 0.00 H new ATOM 0 HA ASP A 86 1.063 -11.673 -10.167 1.00 0.00 H new ATOM 0 HB2 ASP A 86 2.630 -10.029 -12.052 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.839 -11.748 -12.320 1.00 0.00 H new ATOM 1364 N ARG A 87 3.646 -12.057 -8.731 1.00 0.00 N ATOM 1365 CA ARG A 87 4.662 -12.953 -8.191 1.00 0.00 C ATOM 1366 C ARG A 87 4.516 -13.092 -6.678 1.00 0.00 C ATOM 1367 O ARG A 87 4.159 -14.158 -6.175 1.00 0.00 O ATOM 1368 CB ARG A 87 6.063 -12.440 -8.533 1.00 0.00 C ATOM 1369 CG ARG A 87 6.269 -12.172 -10.015 1.00 0.00 C ATOM 1370 CD ARG A 87 7.675 -12.544 -10.459 1.00 0.00 C ATOM 1371 NE ARG A 87 7.765 -13.942 -10.876 1.00 0.00 N ATOM 1372 CZ ARG A 87 8.740 -14.425 -11.645 1.00 0.00 C ATOM 1373 NH1 ARG A 87 9.708 -13.630 -12.081 1.00 0.00 N ATOM 1374 NH2 ARG A 87 8.745 -15.709 -11.976 1.00 0.00 N ATOM 0 H ARG A 87 3.401 -11.279 -8.118 1.00 0.00 H new ATOM 0 HA ARG A 87 4.522 -13.934 -8.645 1.00 0.00 H new ATOM 0 HB2 ARG A 87 6.250 -11.521 -7.977 1.00 0.00 H new ATOM 0 HB3 ARG A 87 6.800 -13.170 -8.199 1.00 0.00 H new ATOM 0 HG2 ARG A 87 5.541 -12.741 -10.593 1.00 0.00 H new ATOM 0 HG3 ARG A 87 6.087 -11.118 -10.224 1.00 0.00 H new ATOM 0 HD2 ARG A 87 7.977 -11.899 -11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 87 8.373 -12.364 -9.642 1.00 0.00 H new ATOM 0 HE ARG A 87 7.039 -14.585 -10.560 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.709 -12.642 -11.828 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.451 -14.007 -12.669 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.003 -16.325 -11.642 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.490 -16.081 -12.565 1.00 0.00 H new ATOM 1388 N ALA A 88 4.794 -12.010 -5.960 1.00 0.00 N ATOM 1389 CA ALA A 88 4.695 -12.010 -4.505 1.00 0.00 C ATOM 1390 C ALA A 88 3.268 -12.296 -4.051 1.00 0.00 C ATOM 1391 O ALA A 88 2.307 -11.969 -4.746 1.00 0.00 O ATOM 1392 CB ALA A 88 5.172 -10.680 -3.944 1.00 0.00 C ATOM 0 H ALA A 88 5.090 -11.121 -6.362 1.00 0.00 H new ATOM 0 HA ALA A 88 5.336 -12.804 -4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.093 -10.694 -2.857 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.211 -10.516 -4.230 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.555 -9.875 -4.342 1.00 0.00 H new ATOM 1398 N LYS A 89 3.138 -12.908 -2.878 1.00 0.00 N ATOM 1399 CA LYS A 89 1.830 -13.238 -2.326 1.00 0.00 C ATOM 1400 C LYS A 89 1.691 -12.702 -0.906 1.00 0.00 C ATOM 1401 O LYS A 89 2.599 -12.844 -0.087 1.00 0.00 O ATOM 1402 CB LYS A 89 1.616 -14.753 -2.338 1.00 0.00 C ATOM 1403 CG LYS A 89 1.148 -15.290 -3.680 1.00 0.00 C ATOM 1404 CD LYS A 89 1.584 -16.731 -3.887 1.00 0.00 C ATOM 1405 CE LYS A 89 1.554 -17.117 -5.357 1.00 0.00 C ATOM 1406 NZ LYS A 89 0.166 -17.138 -5.896 1.00 0.00 N ATOM 0 H LYS A 89 3.925 -13.186 -2.291 1.00 0.00 H new ATOM 0 HA LYS A 89 1.069 -12.767 -2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 89 2.549 -15.246 -2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.882 -15.014 -1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.062 -15.226 -3.740 1.00 0.00 H new ATOM 0 HG3 LYS A 89 1.549 -14.669 -4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.592 -16.867 -3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.930 -17.395 -3.322 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.156 -16.412 -5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 89 2.008 -18.100 -5.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 0.188 -17.406 -6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -0.402 -17.829 -5.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -0.259 -16.194 -5.798 1.00 0.00 H new ATOM 1420 N VAL A 90 0.550 -12.085 -0.618 1.00 0.00 N ATOM 1421 CA VAL A 90 0.295 -11.527 0.704 1.00 0.00 C ATOM 1422 C VAL A 90 -1.020 -12.044 1.277 1.00 0.00 C ATOM 1423 O VAL A 90 -1.901 -12.482 0.539 1.00 0.00 O ATOM 1424 CB VAL A 90 0.253 -9.988 0.668 1.00 0.00 C ATOM 1425 CG1 VAL A 90 0.235 -9.420 2.079 1.00 0.00 C ATOM 1426 CG2 VAL A 90 1.432 -9.439 -0.121 1.00 0.00 C ATOM 0 H VAL A 90 -0.213 -11.959 -1.283 1.00 0.00 H new ATOM 0 HA VAL A 90 1.118 -11.847 1.343 1.00 0.00 H new ATOM 0 HB VAL A 90 -0.664 -9.680 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.205 -8.331 2.033 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.646 -9.785 2.607 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.133 -9.736 2.610 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.385 -8.350 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.363 -9.756 0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.394 -9.817 -1.143 1.00 0.00 H new ATOM 1436 N ASN A 91 -1.145 -11.986 2.600 1.00 0.00 N ATOM 1437 CA ASN A 91 -2.353 -12.445 3.275 1.00 0.00 C ATOM 1438 C ASN A 91 -3.356 -11.305 3.428 1.00 0.00 C ATOM 1439 O ASN A 91 -3.046 -10.269 4.015 1.00 0.00 O ATOM 1440 CB ASN A 91 -2.005 -13.021 4.648 1.00 0.00 C ATOM 1441 CG ASN A 91 -2.885 -14.200 5.020 1.00 0.00 C ATOM 1442 OD1 ASN A 91 -2.844 -15.247 4.375 1.00 0.00 O ATOM 1443 ND2 ASN A 91 -3.685 -14.035 6.066 1.00 0.00 N ATOM 0 H ASN A 91 -0.424 -11.626 3.225 1.00 0.00 H new ATOM 0 HA ASN A 91 -2.808 -13.226 2.665 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -0.961 -13.334 4.654 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.108 -12.242 5.403 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -4.298 -14.794 6.364 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.687 -13.149 6.572 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.557 -11.504 2.895 1.00 0.00 N ATOM 1451 CA VAL A 92 -5.603 -10.492 2.972 1.00 0.00 C ATOM 1452 C VAL A 92 -6.142 -10.356 4.394 1.00 0.00 C ATOM 1453 O VAL A 92 -6.682 -9.314 4.764 1.00 0.00 O ATOM 1454 CB VAL A 92 -6.772 -10.821 2.024 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -7.768 -9.673 1.982 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -6.255 -11.138 0.629 1.00 0.00 C ATOM 0 H VAL A 92 -4.829 -12.356 2.405 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.149 -9.549 2.669 1.00 0.00 H new ATOM 0 HB VAL A 92 -7.286 -11.703 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.586 -9.925 1.307 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -8.164 -9.498 2.982 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.269 -8.771 1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.095 -11.368 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.714 -10.277 0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.585 -11.997 0.676 1.00 0.00 H new ATOM 1466 N ASN A 93 -5.993 -11.413 5.186 1.00 0.00 N ATOM 1467 CA ASN A 93 -6.468 -11.405 6.566 1.00 0.00 C ATOM 1468 C ASN A 93 -5.501 -10.654 7.476 1.00 0.00 C ATOM 1469 O ASN A 93 -5.907 -10.068 8.479 1.00 0.00 O ATOM 1470 CB ASN A 93 -6.656 -12.838 7.069 1.00 0.00 C ATOM 1471 CG ASN A 93 -8.099 -13.295 6.985 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -8.648 -13.460 5.895 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -8.722 -13.505 8.139 1.00 0.00 N ATOM 0 H ASN A 93 -5.548 -12.284 4.897 1.00 0.00 H new ATOM 0 HA ASN A 93 -7.428 -10.889 6.589 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.030 -13.511 6.483 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -6.316 -12.905 8.102 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -9.694 -13.815 8.145 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.229 -13.356 9.019 1.00 0.00 H new ATOM 1480 N LEU A 94 -4.220 -10.679 7.123 1.00 0.00 N ATOM 1481 CA LEU A 94 -3.198 -10.001 7.915 1.00 0.00 C ATOM 1482 C LEU A 94 -2.818 -8.662 7.291 1.00 0.00 C ATOM 1483 O LEU A 94 -2.447 -7.722 7.994 1.00 0.00 O ATOM 1484 CB LEU A 94 -1.956 -10.885 8.046 1.00 0.00 C ATOM 1485 CG LEU A 94 -2.116 -12.096 8.968 1.00 0.00 C ATOM 1486 CD1 LEU A 94 -1.341 -13.287 8.426 1.00 0.00 C ATOM 1487 CD2 LEU A 94 -1.657 -11.756 10.377 1.00 0.00 C ATOM 0 H LEU A 94 -3.865 -11.160 6.296 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.611 -9.813 8.906 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.674 -11.238 7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.131 -10.274 8.414 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.172 -12.363 9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.467 -14.138 9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.716 -13.545 7.436 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.283 -13.032 8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -1.778 -12.628 11.019 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.607 -11.463 10.357 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -2.256 -10.933 10.766 1.00 0.00 H new ATOM 1499 N LEU A 95 -2.910 -8.580 5.968 1.00 0.00 N ATOM 1500 CA LEU A 95 -2.574 -7.354 5.252 1.00 0.00 C ATOM 1501 C LEU A 95 -3.443 -6.192 5.722 1.00 0.00 C ATOM 1502 O LEU A 95 -2.955 -5.078 5.913 1.00 0.00 O ATOM 1503 CB LEU A 95 -2.742 -7.555 3.744 1.00 0.00 C ATOM 1504 CG LEU A 95 -2.464 -6.315 2.892 1.00 0.00 C ATOM 1505 CD1 LEU A 95 -1.001 -5.914 2.996 1.00 0.00 C ATOM 1506 CD2 LEU A 95 -2.847 -6.569 1.442 1.00 0.00 C ATOM 0 H LEU A 95 -3.214 -9.348 5.369 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.532 -7.114 5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.075 -8.355 3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -3.760 -7.891 3.549 1.00 0.00 H new ATOM 0 HG LEU A 95 -3.073 -5.493 3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.822 -5.030 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -0.758 -5.691 4.035 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.373 -6.733 2.644 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.643 -5.677 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.264 -7.404 1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -3.909 -6.809 1.383 1.00 0.00 H new ATOM 1518 N ILE A 96 -4.731 -6.459 5.905 1.00 0.00 N ATOM 1519 CA ILE A 96 -5.667 -5.435 6.352 1.00 0.00 C ATOM 1520 C ILE A 96 -5.483 -5.128 7.835 1.00 0.00 C ATOM 1521 O ILE A 96 -5.723 -4.007 8.281 1.00 0.00 O ATOM 1522 CB ILE A 96 -7.127 -5.861 6.106 1.00 0.00 C ATOM 1523 CG1 ILE A 96 -7.304 -6.344 4.665 1.00 0.00 C ATOM 1524 CG2 ILE A 96 -8.075 -4.708 6.403 1.00 0.00 C ATOM 1525 CD1 ILE A 96 -8.667 -6.943 4.391 1.00 0.00 C ATOM 0 H ILE A 96 -5.151 -7.376 5.751 1.00 0.00 H new ATOM 0 HA ILE A 96 -5.454 -4.539 5.769 1.00 0.00 H new ATOM 0 HB ILE A 96 -7.367 -6.684 6.779 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.141 -5.506 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.538 -7.087 4.443 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.102 -5.026 6.224 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -7.965 -4.406 7.444 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -7.838 -3.865 5.754 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.721 -7.264 3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.825 -7.801 5.044 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -9.438 -6.196 4.581 1.00 0.00 H new ATOM 1537 N PHE A 97 -5.055 -6.133 8.594 1.00 0.00 N ATOM 1538 CA PHE A 97 -4.840 -5.970 10.027 1.00 0.00 C ATOM 1539 C PHE A 97 -3.817 -4.875 10.308 1.00 0.00 C ATOM 1540 O PHE A 97 -4.062 -3.973 11.108 1.00 0.00 O ATOM 1541 CB PHE A 97 -4.376 -7.290 10.646 1.00 0.00 C ATOM 1542 CG PHE A 97 -4.715 -7.422 12.104 1.00 0.00 C ATOM 1543 CD1 PHE A 97 -4.274 -6.480 13.020 1.00 0.00 C ATOM 1544 CD2 PHE A 97 -5.475 -8.488 12.558 1.00 0.00 C ATOM 1545 CE1 PHE A 97 -4.585 -6.598 14.360 1.00 0.00 C ATOM 1546 CE2 PHE A 97 -5.789 -8.611 13.898 1.00 0.00 C ATOM 1547 CZ PHE A 97 -5.344 -7.665 14.800 1.00 0.00 C ATOM 0 H PHE A 97 -4.851 -7.068 8.240 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.788 -5.676 10.478 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.829 -8.117 10.100 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -3.297 -7.380 10.523 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.680 -5.644 12.682 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -5.826 -9.231 11.857 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -4.235 -5.857 15.063 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -6.382 -9.446 14.240 1.00 0.00 H new ATOM 0 HZ PHE A 97 -5.589 -7.759 15.848 1.00 0.00 H new ATOM 1557 N LEU A 98 -2.668 -4.960 9.644 1.00 0.00 N ATOM 1558 CA LEU A 98 -1.606 -3.976 9.824 1.00 0.00 C ATOM 1559 C LEU A 98 -2.090 -2.579 9.450 1.00 0.00 C ATOM 1560 O LEU A 98 -1.940 -1.632 10.223 1.00 0.00 O ATOM 1561 CB LEU A 98 -0.387 -4.349 8.980 1.00 0.00 C ATOM 1562 CG LEU A 98 0.940 -3.758 9.463 1.00 0.00 C ATOM 1563 CD1 LEU A 98 1.499 -4.575 10.618 1.00 0.00 C ATOM 1564 CD2 LEU A 98 1.941 -3.690 8.320 1.00 0.00 C ATOM 0 H LEU A 98 -2.449 -5.700 8.977 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.323 -3.973 10.876 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -0.297 -5.435 8.959 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.561 -4.023 7.954 1.00 0.00 H new ATOM 0 HG LEU A 98 0.757 -2.744 9.818 1.00 0.00 H new ATOM 0 HD11 LEU A 98 2.442 -4.140 10.948 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.788 -4.570 11.444 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.667 -5.601 10.290 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.878 -3.267 8.682 1.00 0.00 H new ATOM 0 HD22 LEU A 98 2.121 -4.693 7.933 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.542 -3.061 7.524 1.00 0.00 H new ATOM 1576 N LEU A 99 -2.670 -2.456 8.261 1.00 0.00 N ATOM 1577 CA LEU A 99 -3.175 -1.174 7.785 1.00 0.00 C ATOM 1578 C LEU A 99 -4.272 -0.642 8.703 1.00 0.00 C ATOM 1579 O LEU A 99 -4.470 0.568 8.811 1.00 0.00 O ATOM 1580 CB LEU A 99 -3.713 -1.312 6.359 1.00 0.00 C ATOM 1581 CG LEU A 99 -2.739 -1.936 5.358 1.00 0.00 C ATOM 1582 CD1 LEU A 99 -3.437 -2.208 4.034 1.00 0.00 C ATOM 1583 CD2 LEU A 99 -1.536 -1.029 5.150 1.00 0.00 C ATOM 0 H LEU A 99 -2.802 -3.229 7.609 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.348 -0.464 7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.620 -1.916 6.386 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.999 -0.324 5.997 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.389 -2.885 5.764 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.729 -2.652 3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -4.268 -2.895 4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.815 -1.272 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.853 -1.488 4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.869 -0.065 4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.022 -0.883 6.100 1.00 0.00 H new ATOM 1595 N ASN A 100 -4.983 -1.553 9.360 1.00 0.00 N ATOM 1596 CA ASN A 100 -6.062 -1.175 10.267 1.00 0.00 C ATOM 1597 C ASN A 100 -5.555 -0.253 11.373 1.00 0.00 C ATOM 1598 O ASN A 100 -6.299 0.585 11.883 1.00 0.00 O ATOM 1599 CB ASN A 100 -6.700 -2.423 10.880 1.00 0.00 C ATOM 1600 CG ASN A 100 -8.204 -2.296 11.016 1.00 0.00 C ATOM 1601 OD1 ASN A 100 -8.702 -1.594 11.896 1.00 0.00 O ATOM 1602 ND2 ASN A 100 -8.936 -2.976 10.142 1.00 0.00 N ATOM 0 H ASN A 100 -4.832 -2.559 9.281 1.00 0.00 H new ATOM 0 HA ASN A 100 -6.812 -0.635 9.689 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -6.466 -3.289 10.261 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -6.263 -2.606 11.862 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -9.954 -2.929 10.183 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -8.480 -3.546 9.429 1.00 0.00 H new ATOM 1609 N LYS A 101 -4.289 -0.417 11.744 1.00 0.00 N ATOM 1610 CA LYS A 101 -3.690 0.400 12.794 1.00 0.00 C ATOM 1611 C LYS A 101 -2.603 1.314 12.236 1.00 0.00 C ATOM 1612 O LYS A 101 -2.350 2.392 12.773 1.00 0.00 O ATOM 1613 CB LYS A 101 -3.109 -0.496 13.892 1.00 0.00 C ATOM 1614 CG LYS A 101 -3.822 -0.363 15.227 1.00 0.00 C ATOM 1615 CD LYS A 101 -3.778 -1.664 16.013 1.00 0.00 C ATOM 1616 CE LYS A 101 -3.552 -1.412 17.495 1.00 0.00 C ATOM 1617 NZ LYS A 101 -4.737 -0.783 18.140 1.00 0.00 N ATOM 0 H LYS A 101 -3.659 -1.107 11.334 1.00 0.00 H new ATOM 0 HA LYS A 101 -4.474 1.028 13.218 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.158 -1.535 13.565 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -2.055 -0.254 14.027 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.358 0.432 15.811 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -4.859 -0.072 15.060 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -4.713 -2.206 15.874 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.981 -2.298 15.625 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -3.326 -2.355 17.993 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.683 -0.767 17.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -4.541 -0.628 19.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -4.938 0.129 17.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -5.561 -1.410 18.039 1.00 0.00 H new ATOM 1631 N LYS A 102 -1.957 0.877 11.159 1.00 0.00 N ATOM 1632 CA LYS A 102 -0.894 1.659 10.538 1.00 0.00 C ATOM 1633 C LYS A 102 -1.441 2.953 9.943 1.00 0.00 C ATOM 1634 O LYS A 102 -1.046 4.047 10.346 1.00 0.00 O ATOM 1635 CB LYS A 102 -0.197 0.839 9.452 1.00 0.00 C ATOM 1636 CG LYS A 102 0.814 -0.158 9.996 1.00 0.00 C ATOM 1637 CD LYS A 102 1.884 0.530 10.830 1.00 0.00 C ATOM 1638 CE LYS A 102 3.275 0.029 10.477 1.00 0.00 C ATOM 1639 NZ LYS A 102 4.304 0.528 11.431 1.00 0.00 N ATOM 0 H LYS A 102 -2.151 -0.013 10.699 1.00 0.00 H new ATOM 0 HA LYS A 102 -0.170 1.916 11.311 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -0.950 0.302 8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 102 0.308 1.517 8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 102 0.301 -0.903 10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 102 1.283 -0.690 9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 102 1.833 1.607 10.671 1.00 0.00 H new ATOM 0 HD3 LYS A 102 1.691 0.354 11.888 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.279 -1.061 10.476 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.531 0.349 9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.238 0.164 11.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 4.319 1.568 11.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.075 0.201 12.391 1.00 0.00 H new ATOM 1653 N PHE A 103 -2.346 2.822 8.979 1.00 0.00 N ATOM 1654 CA PHE A 103 -2.941 3.984 8.328 1.00 0.00 C ATOM 1655 C PHE A 103 -4.321 4.288 8.901 1.00 0.00 C ATOM 1656 O PHE A 103 -4.626 5.435 9.231 1.00 0.00 O ATOM 1657 CB PHE A 103 -3.042 3.751 6.820 1.00 0.00 C ATOM 1658 CG PHE A 103 -1.725 3.437 6.171 1.00 0.00 C ATOM 1659 CD1 PHE A 103 -1.210 2.151 6.207 1.00 0.00 C ATOM 1660 CD2 PHE A 103 -1.001 4.426 5.528 1.00 0.00 C ATOM 1661 CE1 PHE A 103 0.003 1.859 5.612 1.00 0.00 C ATOM 1662 CE2 PHE A 103 0.212 4.140 4.930 1.00 0.00 C ATOM 1663 CZ PHE A 103 0.715 2.854 4.973 1.00 0.00 C ATOM 0 H PHE A 103 -2.683 1.924 8.631 1.00 0.00 H new ATOM 0 HA PHE A 103 -2.296 4.842 8.516 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -3.735 2.930 6.633 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -3.466 4.639 6.351 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -1.762 1.368 6.705 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.389 5.433 5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.394 0.853 5.647 1.00 0.00 H new ATOM 0 HE2 PHE A 103 0.766 4.921 4.430 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.663 2.628 4.508 1.00 0.00 H new ATOM 1673 N TYR A 104 -5.153 3.259 9.016 1.00 0.00 N ATOM 1674 CA TYR A 104 -6.502 3.419 9.549 1.00 0.00 C ATOM 1675 C TYR A 104 -6.467 4.021 10.951 1.00 0.00 C ATOM 1676 O TYR A 104 -6.119 3.344 11.919 1.00 0.00 O ATOM 1677 CB TYR A 104 -7.226 2.071 9.572 1.00 0.00 C ATOM 1678 CG TYR A 104 -8.337 1.962 8.552 1.00 0.00 C ATOM 1679 CD1 TYR A 104 -8.166 2.436 7.257 1.00 0.00 C ATOM 1680 CD2 TYR A 104 -9.558 1.388 8.884 1.00 0.00 C ATOM 1681 CE1 TYR A 104 -9.179 2.339 6.322 1.00 0.00 C ATOM 1682 CE2 TYR A 104 -10.575 1.286 7.955 1.00 0.00 C ATOM 1683 CZ TYR A 104 -10.381 1.763 6.676 1.00 0.00 C ATOM 1684 OH TYR A 104 -11.392 1.665 5.748 1.00 0.00 O ATOM 0 H TYR A 104 -4.917 2.304 8.747 1.00 0.00 H new ATOM 0 HA TYR A 104 -7.046 4.103 8.897 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -6.502 1.276 9.394 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -7.640 1.908 10.567 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -7.226 2.888 6.977 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -9.715 1.015 9.885 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -9.030 2.712 5.320 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -11.517 0.835 8.229 1.00 0.00 H new ATOM 0 HH TYR A 104 -12.171 1.234 6.157 1.00 0.00 H new