USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 635 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 Single : A 26 SER OG : rot -150:sc= -1.64 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -125:sc= 0.0748 (180deg=-0.866) USER MOD Single : A 33 HIS : no HD1:sc= -0.229 X(o=-0.23,f=0.037) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -2.03 K(o=-2,f=-4.8!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 39:sc= 0.523 USER MOD Single : A 51 SER OG : rot 151:sc= 1.27 USER MOD Single : A 52 SER OG : rot 180:sc= -1.13 USER MOD Single : A 67 GLN : amide:sc= -0.324 K(o=-0.32,f=-1.9!) USER MOD Single : A 75 LYS NZ :NH3+ -120:sc= -4.38! (180deg=-7.34!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -0.68 K(o=-0.68,f=-0.12) USER MOD Single : A 91 TYR OH : rot 57:sc= 1.33 USER MOD Single : A 92 LYS NZ :NH3+ 157:sc= -0.0023 (180deg=-0.301) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.623 USER MOD Single : A 94 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.31) USER MOD Single : A 98 LYS NZ :NH3+ 177:sc= -1.79 (180deg=-2.17) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 23 -6.234 10.419 -6.654 1.00 0.00 N ATOM 28 CA LEU A 23 -6.323 9.009 -6.307 1.00 0.00 C ATOM 29 C LEU A 23 -6.170 8.821 -4.800 1.00 0.00 C ATOM 30 O LEU A 23 -5.270 9.386 -4.185 1.00 0.00 O ATOM 31 CB LEU A 23 -5.253 8.204 -7.057 1.00 0.00 C ATOM 32 CG LEU A 23 -5.363 8.190 -8.594 1.00 0.00 C ATOM 33 CD1 LEU A 23 -5.661 6.786 -9.094 1.00 0.00 C ATOM 34 CD2 LEU A 23 -6.421 9.165 -9.099 1.00 0.00 C ATOM 0 HA LEU A 23 -7.305 8.641 -6.604 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.274 8.601 -6.787 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.288 7.174 -6.702 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.401 8.514 -8.990 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.735 6.795 -10.181 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.858 6.114 -8.791 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.603 6.441 -8.669 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.465 9.123 -10.187 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.392 8.894 -8.686 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.163 10.177 -8.785 1.00 0.00 H new ATOM 46 N ARG A 24 -7.063 8.033 -4.212 1.00 0.00 N ATOM 47 CA ARG A 24 -7.031 7.776 -2.776 1.00 0.00 C ATOM 48 C ARG A 24 -6.408 6.412 -2.482 1.00 0.00 C ATOM 49 O ARG A 24 -6.846 5.389 -3.008 1.00 0.00 O ATOM 50 CB ARG A 24 -8.446 7.858 -2.194 1.00 0.00 C ATOM 51 CG ARG A 24 -8.562 7.350 -0.763 1.00 0.00 C ATOM 52 CD ARG A 24 -9.121 8.416 0.167 1.00 0.00 C ATOM 53 NE ARG A 24 -10.514 8.733 -0.137 1.00 0.00 N ATOM 54 CZ ARG A 24 -11.552 8.025 0.306 1.00 0.00 C ATOM 55 NH1 ARG A 24 -11.359 6.954 1.066 1.00 0.00 N ATOM 56 NH2 ARG A 24 -12.786 8.388 -0.015 1.00 0.00 N ATOM 0 H ARG A 24 -7.819 7.560 -4.708 1.00 0.00 H new ATOM 0 HA ARG A 24 -6.413 8.538 -2.302 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -8.781 8.895 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.121 7.283 -2.828 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.207 6.472 -0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.581 7.035 -0.408 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.044 8.073 1.199 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -8.518 9.320 0.086 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.704 9.545 -0.724 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -10.412 6.669 1.314 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.158 6.416 1.402 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -12.940 9.209 -0.601 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -13.581 7.847 0.324 1.00 0.00 H new ATOM 70 N LEU A 25 -5.380 6.411 -1.637 1.00 0.00 N ATOM 71 CA LEU A 25 -4.687 5.188 -1.266 1.00 0.00 C ATOM 72 C LEU A 25 -5.332 4.549 -0.043 1.00 0.00 C ATOM 73 O LEU A 25 -5.770 5.241 0.876 1.00 0.00 O ATOM 74 CB LEU A 25 -3.223 5.491 -0.962 1.00 0.00 C ATOM 75 CG LEU A 25 -2.265 4.316 -1.126 1.00 0.00 C ATOM 76 CD1 LEU A 25 -0.819 4.770 -0.995 1.00 0.00 C ATOM 77 CD2 LEU A 25 -2.567 3.237 -0.107 1.00 0.00 C ATOM 0 H LEU A 25 -5.009 7.252 -1.195 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.754 4.493 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.894 6.300 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.150 5.857 0.062 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.407 3.905 -2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.156 3.913 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.599 5.510 -1.764 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.664 5.212 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.873 2.407 -0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.457 3.645 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.588 2.882 -0.245 1.00 0.00 H new ATOM 89 N SER A 26 -5.368 3.226 -0.034 1.00 0.00 N ATOM 90 CA SER A 26 -5.940 2.479 1.080 1.00 0.00 C ATOM 91 C SER A 26 -5.040 1.304 1.426 1.00 0.00 C ATOM 92 O SER A 26 -4.390 0.740 0.554 1.00 0.00 O ATOM 93 CB SER A 26 -7.343 1.982 0.727 1.00 0.00 C ATOM 94 OG SER A 26 -7.959 2.832 -0.224 1.00 0.00 O ATOM 0 H SER A 26 -5.006 2.643 -0.789 1.00 0.00 H new ATOM 0 HA SER A 26 -6.016 3.139 1.944 1.00 0.00 H new ATOM 0 HB2 SER A 26 -7.284 0.969 0.330 1.00 0.00 H new ATOM 0 HB3 SER A 26 -7.954 1.936 1.629 1.00 0.00 H new ATOM 0 HG SER A 26 -8.930 2.819 -0.094 1.00 0.00 H new ATOM 100 N VAL A 27 -4.998 0.934 2.697 1.00 0.00 N ATOM 101 CA VAL A 27 -4.172 -0.185 3.121 1.00 0.00 C ATOM 102 C VAL A 27 -4.889 -1.010 4.169 1.00 0.00 C ATOM 103 O VAL A 27 -5.245 -0.517 5.239 1.00 0.00 O ATOM 104 CB VAL A 27 -2.796 0.270 3.646 1.00 0.00 C ATOM 105 CG1 VAL A 27 -2.867 0.740 5.089 1.00 0.00 C ATOM 106 CG2 VAL A 27 -1.774 -0.840 3.494 1.00 0.00 C ATOM 0 H VAL A 27 -5.521 1.388 3.446 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.995 -0.803 2.241 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.481 1.121 3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.876 1.052 5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.556 1.581 5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.220 -0.075 5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.809 -0.500 3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.098 -1.713 4.061 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.680 -1.106 2.441 1.00 0.00 H new ATOM 116 N PHE A 28 -5.125 -2.263 3.836 1.00 0.00 N ATOM 117 CA PHE A 28 -5.829 -3.160 4.722 1.00 0.00 C ATOM 118 C PHE A 28 -4.921 -4.219 5.330 1.00 0.00 C ATOM 119 O PHE A 28 -4.032 -4.758 4.672 1.00 0.00 O ATOM 120 CB PHE A 28 -6.975 -3.827 3.975 1.00 0.00 C ATOM 121 CG PHE A 28 -8.215 -3.871 4.797 1.00 0.00 C ATOM 122 CD1 PHE A 28 -8.864 -2.697 5.136 1.00 0.00 C ATOM 123 CD2 PHE A 28 -8.713 -5.074 5.259 1.00 0.00 C ATOM 124 CE1 PHE A 28 -9.993 -2.725 5.926 1.00 0.00 C ATOM 125 CE2 PHE A 28 -9.845 -5.111 6.043 1.00 0.00 C ATOM 126 CZ PHE A 28 -10.486 -3.936 6.381 1.00 0.00 C ATOM 0 H PHE A 28 -4.836 -2.682 2.952 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.216 -2.560 5.546 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -7.171 -3.285 3.050 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -6.687 -4.841 3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -8.483 -1.752 4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -8.210 -5.995 5.003 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.492 -1.804 6.190 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -10.230 -6.057 6.393 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.371 -3.961 7.000 1.00 0.00 H new ATOM 136 N ARG A 29 -5.185 -4.521 6.594 1.00 0.00 N ATOM 137 CA ARG A 29 -4.439 -5.527 7.331 1.00 0.00 C ATOM 138 C ARG A 29 -5.392 -6.286 8.244 1.00 0.00 C ATOM 139 O ARG A 29 -6.067 -5.686 9.080 1.00 0.00 O ATOM 140 CB ARG A 29 -3.324 -4.885 8.162 1.00 0.00 C ATOM 141 CG ARG A 29 -2.582 -3.767 7.446 1.00 0.00 C ATOM 142 CD ARG A 29 -1.903 -2.834 8.435 1.00 0.00 C ATOM 143 NE ARG A 29 -2.857 -2.241 9.369 1.00 0.00 N ATOM 144 CZ ARG A 29 -2.524 -1.365 10.313 1.00 0.00 C ATOM 145 NH1 ARG A 29 -1.263 -0.981 10.457 1.00 0.00 N ATOM 146 NH2 ARG A 29 -3.456 -0.872 11.118 1.00 0.00 N ATOM 0 H ARG A 29 -5.924 -4.074 7.136 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.979 -6.213 6.620 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.753 -4.490 9.083 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.609 -5.656 8.448 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.837 -4.194 6.775 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.280 -3.201 6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.145 -3.385 8.992 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.387 -2.042 7.892 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.837 -2.515 9.293 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.542 -1.358 9.842 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.014 -0.309 11.183 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.427 -1.165 11.013 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.201 -0.200 11.842 1.00 0.00 H new ATOM 160 N SER A 30 -5.455 -7.599 8.081 1.00 0.00 N ATOM 161 CA SER A 30 -6.347 -8.412 8.902 1.00 0.00 C ATOM 162 C SER A 30 -5.633 -8.864 10.173 1.00 0.00 C ATOM 163 O SER A 30 -5.820 -8.287 11.243 1.00 0.00 O ATOM 164 CB SER A 30 -6.840 -9.627 8.112 1.00 0.00 C ATOM 165 OG SER A 30 -7.475 -10.566 8.963 1.00 0.00 O ATOM 0 H SER A 30 -4.907 -8.122 7.397 1.00 0.00 H new ATOM 0 HA SER A 30 -7.208 -7.806 9.182 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.537 -9.303 7.339 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.999 -10.101 7.606 1.00 0.00 H new ATOM 0 HG SER A 30 -7.782 -11.332 8.434 1.00 0.00 H new ATOM 171 N LEU A 31 -4.801 -9.888 10.037 1.00 0.00 N ATOM 172 CA LEU A 31 -4.034 -10.416 11.158 1.00 0.00 C ATOM 173 C LEU A 31 -2.618 -10.727 10.698 1.00 0.00 C ATOM 174 O LEU A 31 -1.645 -10.176 11.214 1.00 0.00 O ATOM 175 CB LEU A 31 -4.697 -11.675 11.720 1.00 0.00 C ATOM 176 CG LEU A 31 -4.337 -12.004 13.170 1.00 0.00 C ATOM 177 CD1 LEU A 31 -5.337 -11.372 14.126 1.00 0.00 C ATOM 178 CD2 LEU A 31 -4.278 -13.510 13.376 1.00 0.00 C ATOM 0 H LEU A 31 -4.639 -10.373 9.154 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.002 -9.668 11.950 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.779 -11.561 11.647 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.423 -12.523 11.092 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.352 -11.589 13.382 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.064 -11.617 15.152 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.329 -10.290 13.997 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.335 -11.756 13.914 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.021 -13.726 14.413 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.249 -13.947 13.145 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.522 -13.938 12.718 1.00 0.00 H new ATOM 190 N LYS A 32 -2.521 -11.596 9.701 1.00 0.00 N ATOM 191 CA LYS A 32 -1.238 -11.974 9.128 1.00 0.00 C ATOM 192 C LYS A 32 -1.199 -11.602 7.647 1.00 0.00 C ATOM 193 O LYS A 32 -0.443 -12.182 6.869 1.00 0.00 O ATOM 194 CB LYS A 32 -0.998 -13.476 9.298 1.00 0.00 C ATOM 195 CG LYS A 32 0.448 -13.890 9.076 1.00 0.00 C ATOM 196 CD LYS A 32 0.542 -15.220 8.347 1.00 0.00 C ATOM 197 CE LYS A 32 1.801 -15.301 7.498 1.00 0.00 C ATOM 198 NZ LYS A 32 1.836 -14.239 6.455 1.00 0.00 N ATOM 0 H LYS A 32 -3.323 -12.055 9.270 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.449 -11.435 9.652 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.302 -13.773 10.302 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.634 -14.019 8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.963 -13.121 8.500 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.958 -13.964 10.037 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.537 -16.035 9.071 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.335 -15.352 7.713 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.678 -15.209 8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.855 -16.280 7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.964 -14.675 5.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.942 -13.708 6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.627 -13.591 6.646 1.00 0.00 H new ATOM 212 N HIS A 33 -2.033 -10.633 7.266 1.00 0.00 N ATOM 213 CA HIS A 33 -2.111 -10.185 5.881 1.00 0.00 C ATOM 214 C HIS A 33 -1.756 -8.708 5.753 1.00 0.00 C ATOM 215 O HIS A 33 -1.635 -7.994 6.749 1.00 0.00 O ATOM 216 CB HIS A 33 -3.519 -10.421 5.329 1.00 0.00 C ATOM 217 CG HIS A 33 -3.841 -11.864 5.114 1.00 0.00 C ATOM 218 ND1 HIS A 33 -5.093 -12.314 4.751 1.00 0.00 N ATOM 219 CD2 HIS A 33 -3.063 -12.964 5.216 1.00 0.00 C ATOM 220 CE1 HIS A 33 -5.070 -13.630 4.639 1.00 0.00 C ATOM 221 NE2 HIS A 33 -3.849 -14.050 4.916 1.00 0.00 N ATOM 0 H HIS A 33 -2.664 -10.144 7.901 1.00 0.00 H new ATOM 0 HA HIS A 33 -1.389 -10.763 5.305 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -4.247 -9.993 6.018 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -3.624 -9.889 4.384 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -2.017 -12.985 5.484 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -5.907 -14.256 4.367 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -3.540 -15.022 4.908 1.00 0.00 H new ATOM 230 N ILE A 34 -1.595 -8.263 4.514 1.00 0.00 N ATOM 231 CA ILE A 34 -1.260 -6.879 4.222 1.00 0.00 C ATOM 232 C ILE A 34 -1.706 -6.534 2.806 1.00 0.00 C ATOM 233 O ILE A 34 -1.446 -7.289 1.871 1.00 0.00 O ATOM 234 CB ILE A 34 0.256 -6.638 4.354 1.00 0.00 C ATOM 235 CG1 ILE A 34 0.641 -5.271 3.784 1.00 0.00 C ATOM 236 CG2 ILE A 34 1.023 -7.748 3.650 1.00 0.00 C ATOM 237 CD1 ILE A 34 -0.118 -4.121 4.407 1.00 0.00 C ATOM 0 H ILE A 34 -1.693 -8.851 3.686 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.776 -6.242 4.941 1.00 0.00 H new ATOM 0 HB ILE A 34 0.518 -6.647 5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.709 -5.113 3.931 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.464 -5.272 2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.094 -7.569 3.748 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.772 -8.707 4.103 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.753 -7.763 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.206 -3.184 3.955 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.186 -4.256 4.237 1.00 0.00 H new ATOM 0 HD13 ILE A 34 0.078 -4.094 5.479 1.00 0.00 H new ATOM 249 N TYR A 35 -2.395 -5.410 2.647 1.00 0.00 N ATOM 250 CA TYR A 35 -2.884 -5.013 1.336 1.00 0.00 C ATOM 251 C TYR A 35 -2.906 -3.497 1.170 1.00 0.00 C ATOM 252 O TYR A 35 -3.157 -2.761 2.119 1.00 0.00 O ATOM 253 CB TYR A 35 -4.303 -5.557 1.122 1.00 0.00 C ATOM 254 CG TYR A 35 -4.359 -7.042 0.838 1.00 0.00 C ATOM 255 CD1 TYR A 35 -4.091 -7.971 1.836 1.00 0.00 C ATOM 256 CD2 TYR A 35 -4.676 -7.515 -0.429 1.00 0.00 C ATOM 257 CE1 TYR A 35 -4.135 -9.327 1.581 1.00 0.00 C ATOM 258 CE2 TYR A 35 -4.722 -8.872 -0.693 1.00 0.00 C ATOM 259 CZ TYR A 35 -4.450 -9.773 0.315 1.00 0.00 C ATOM 260 OH TYR A 35 -4.495 -11.123 0.056 1.00 0.00 O ATOM 0 H TYR A 35 -2.625 -4.764 3.402 1.00 0.00 H new ATOM 0 HA TYR A 35 -2.201 -5.429 0.596 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.899 -5.345 2.009 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.765 -5.022 0.292 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -3.844 -7.626 2.829 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.890 -6.812 -1.221 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.924 -10.035 2.369 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -4.970 -9.224 -1.683 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.733 -11.268 -0.884 1.00 0.00 H new ATOM 270 N ALA A 36 -2.690 -3.052 -0.061 1.00 0.00 N ATOM 271 CA ALA A 36 -2.737 -1.632 -0.396 1.00 0.00 C ATOM 272 C ALA A 36 -3.509 -1.455 -1.691 1.00 0.00 C ATOM 273 O ALA A 36 -3.141 -2.010 -2.726 1.00 0.00 O ATOM 274 CB ALA A 36 -1.348 -1.014 -0.526 1.00 0.00 C ATOM 0 H ALA A 36 -2.478 -3.660 -0.852 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.237 -1.112 0.421 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.442 0.043 -0.776 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.814 -1.117 0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.795 -1.525 -1.314 1.00 0.00 H new ATOM 280 N GLN A 37 -4.580 -0.685 -1.630 1.00 0.00 N ATOM 281 CA GLN A 37 -5.405 -0.439 -2.795 1.00 0.00 C ATOM 282 C GLN A 37 -5.325 1.019 -3.194 1.00 0.00 C ATOM 283 O GLN A 37 -5.795 1.903 -2.478 1.00 0.00 O ATOM 284 CB GLN A 37 -6.859 -0.830 -2.520 1.00 0.00 C ATOM 285 CG GLN A 37 -7.546 -1.487 -3.706 1.00 0.00 C ATOM 286 CD GLN A 37 -7.790 -2.968 -3.492 1.00 0.00 C ATOM 287 OE1 GLN A 37 -6.856 -3.770 -3.500 1.00 0.00 O ATOM 288 NE2 GLN A 37 -9.050 -3.338 -3.299 1.00 0.00 N ATOM 0 H GLN A 37 -4.899 -0.218 -0.781 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.032 -1.052 -3.616 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.889 -1.512 -1.670 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.418 0.061 -2.234 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.498 -0.989 -3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.935 -1.348 -4.598 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.793 -2.639 -3.300 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.276 -4.321 -3.149 1.00 0.00 H new ATOM 297 N ILE A 38 -4.734 1.261 -4.347 1.00 0.00 N ATOM 298 CA ILE A 38 -4.596 2.607 -4.860 1.00 0.00 C ATOM 299 C ILE A 38 -5.757 2.892 -5.797 1.00 0.00 C ATOM 300 O ILE A 38 -5.717 2.560 -6.984 1.00 0.00 O ATOM 301 CB ILE A 38 -3.253 2.809 -5.592 1.00 0.00 C ATOM 302 CG1 ILE A 38 -2.174 1.849 -5.035 1.00 0.00 C ATOM 303 CG2 ILE A 38 -2.818 4.264 -5.485 1.00 0.00 C ATOM 304 CD1 ILE A 38 -1.267 2.425 -3.972 1.00 0.00 C ATOM 0 H ILE A 38 -4.340 0.538 -4.949 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.608 3.303 -4.021 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.384 2.570 -6.647 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.673 0.971 -4.624 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.557 1.505 -5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.869 4.399 -6.004 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.574 4.904 -5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.699 4.532 -4.435 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.551 1.667 -3.655 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.731 3.283 -4.377 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.864 2.741 -3.117 1.00 0.00 H new ATOM 316 N ILE A 39 -6.813 3.460 -5.230 1.00 0.00 N ATOM 317 CA ILE A 39 -8.030 3.746 -5.981 1.00 0.00 C ATOM 318 C ILE A 39 -8.088 5.180 -6.482 1.00 0.00 C ATOM 319 O ILE A 39 -7.398 6.062 -5.979 1.00 0.00 O ATOM 320 CB ILE A 39 -9.284 3.495 -5.118 1.00 0.00 C ATOM 321 CG1 ILE A 39 -9.103 2.252 -4.246 1.00 0.00 C ATOM 322 CG2 ILE A 39 -10.519 3.364 -5.994 1.00 0.00 C ATOM 323 CD1 ILE A 39 -8.758 2.577 -2.810 1.00 0.00 C ATOM 0 H ILE A 39 -6.852 3.733 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.011 3.073 -6.838 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.422 4.353 -4.459 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.020 1.664 -4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.315 1.630 -4.670 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.393 3.187 -5.367 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.661 4.283 -6.563 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.391 2.528 -6.681 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -8.643 1.652 -2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -7.825 3.140 -2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.557 3.174 -2.370 1.00 0.00 H new ATOM 335 N ASP A 40 -8.958 5.398 -7.461 1.00 0.00 N ATOM 336 CA ASP A 40 -9.174 6.714 -8.029 1.00 0.00 C ATOM 337 C ASP A 40 -10.390 7.334 -7.356 1.00 0.00 C ATOM 338 O ASP A 40 -11.525 6.883 -7.570 1.00 0.00 O ATOM 339 CB ASP A 40 -9.393 6.624 -9.542 1.00 0.00 C ATOM 340 CG ASP A 40 -8.812 7.812 -10.283 1.00 0.00 C ATOM 341 OD1 ASP A 40 -9.132 8.960 -9.908 1.00 0.00 O ATOM 342 OD2 ASP A 40 -8.038 7.595 -11.239 1.00 0.00 O ATOM 0 H ASP A 40 -9.531 4.665 -7.880 1.00 0.00 H new ATOM 0 HA ASP A 40 -8.294 7.334 -7.858 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.939 5.707 -9.918 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -10.461 6.558 -9.748 1.00 0.00 H new ATOM 347 N ASP A 41 -10.129 8.342 -6.520 1.00 0.00 N ATOM 348 CA ASP A 41 -11.174 9.034 -5.762 1.00 0.00 C ATOM 349 C ASP A 41 -11.765 10.213 -6.535 1.00 0.00 C ATOM 350 O ASP A 41 -12.308 11.147 -5.946 1.00 0.00 O ATOM 351 CB ASP A 41 -10.624 9.517 -4.419 1.00 0.00 C ATOM 352 CG ASP A 41 -9.501 10.521 -4.578 1.00 0.00 C ATOM 353 OD1 ASP A 41 -9.731 11.575 -5.206 1.00 0.00 O ATOM 354 OD2 ASP A 41 -8.391 10.253 -4.073 1.00 0.00 O ATOM 0 H ASP A 41 -9.189 8.701 -6.350 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.976 8.316 -5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.431 9.968 -3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.263 8.661 -3.849 1.00 0.00 H new ATOM 359 N GLU A 42 -11.708 10.125 -7.852 1.00 0.00 N ATOM 360 CA GLU A 42 -12.288 11.136 -8.731 1.00 0.00 C ATOM 361 C GLU A 42 -13.465 10.458 -9.393 1.00 0.00 C ATOM 362 O GLU A 42 -14.597 10.941 -9.385 1.00 0.00 O ATOM 363 CB GLU A 42 -11.272 11.613 -9.773 1.00 0.00 C ATOM 364 CG GLU A 42 -11.874 12.493 -10.855 1.00 0.00 C ATOM 365 CD GLU A 42 -10.827 13.292 -11.607 1.00 0.00 C ATOM 366 OE1 GLU A 42 -10.084 14.057 -10.957 1.00 0.00 O ATOM 367 OE2 GLU A 42 -10.750 13.151 -12.846 1.00 0.00 O ATOM 0 H GLU A 42 -11.260 9.353 -8.346 1.00 0.00 H new ATOM 0 HA GLU A 42 -12.590 12.025 -8.178 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.479 12.164 -9.268 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.809 10.744 -10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.426 11.870 -11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.593 13.177 -10.404 1.00 0.00 H new ATOM 374 N LYS A 43 -13.161 9.264 -9.864 1.00 0.00 N ATOM 375 CA LYS A 43 -14.119 8.363 -10.439 1.00 0.00 C ATOM 376 C LYS A 43 -13.825 7.026 -9.788 1.00 0.00 C ATOM 377 O LYS A 43 -12.713 6.517 -9.912 1.00 0.00 O ATOM 378 CB LYS A 43 -13.955 8.276 -11.958 1.00 0.00 C ATOM 379 CG LYS A 43 -14.789 9.292 -12.721 1.00 0.00 C ATOM 380 CD LYS A 43 -14.032 9.851 -13.915 1.00 0.00 C ATOM 381 CE LYS A 43 -14.788 10.995 -14.572 1.00 0.00 C ATOM 382 NZ LYS A 43 -13.905 12.164 -14.841 1.00 0.00 N ATOM 0 H LYS A 43 -12.212 8.891 -9.853 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.144 8.692 -10.267 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.904 8.419 -12.210 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.228 7.274 -12.287 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.713 8.824 -13.061 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.071 10.107 -12.054 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.051 10.200 -13.593 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.865 9.058 -14.644 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.227 10.649 -15.508 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.611 11.303 -13.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.459 12.922 -15.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.505 12.510 -13.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.133 11.877 -15.477 1.00 0.00 H new ATOM 396 N GLY A 44 -14.787 6.481 -9.057 1.00 0.00 N ATOM 397 CA GLY A 44 -14.555 5.227 -8.362 1.00 0.00 C ATOM 398 C GLY A 44 -13.842 4.208 -9.224 1.00 0.00 C ATOM 399 O GLY A 44 -14.482 3.449 -9.953 1.00 0.00 O ATOM 0 H GLY A 44 -15.718 6.879 -8.932 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -13.964 5.416 -7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.510 4.816 -8.034 1.00 0.00 H new ATOM 403 N VAL A 45 -12.510 4.209 -9.171 1.00 0.00 N ATOM 404 CA VAL A 45 -11.736 3.285 -9.999 1.00 0.00 C ATOM 405 C VAL A 45 -10.543 2.672 -9.267 1.00 0.00 C ATOM 406 O VAL A 45 -9.568 3.357 -8.980 1.00 0.00 O ATOM 407 CB VAL A 45 -11.212 4.009 -11.256 1.00 0.00 C ATOM 408 CG1 VAL A 45 -10.401 3.062 -12.133 1.00 0.00 C ATOM 409 CG2 VAL A 45 -12.364 4.622 -12.042 1.00 0.00 C ATOM 0 H VAL A 45 -11.954 4.825 -8.577 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.418 2.477 -10.265 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.552 4.814 -10.933 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.043 3.597 -13.013 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.550 2.682 -11.568 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -11.029 2.228 -12.446 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -11.973 5.128 -12.925 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.054 3.836 -12.350 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.890 5.341 -11.415 1.00 0.00 H new ATOM 419 N THR A 46 -10.598 1.364 -9.020 1.00 0.00 N ATOM 420 CA THR A 46 -9.485 0.672 -8.376 1.00 0.00 C ATOM 421 C THR A 46 -8.398 0.421 -9.414 1.00 0.00 C ATOM 422 O THR A 46 -8.636 -0.246 -10.420 1.00 0.00 O ATOM 423 CB THR A 46 -9.942 -0.653 -7.757 1.00 0.00 C ATOM 424 OG1 THR A 46 -11.129 -0.473 -7.006 1.00 0.00 O ATOM 425 CG2 THR A 46 -8.906 -1.276 -6.840 1.00 0.00 C ATOM 0 H THR A 46 -11.392 0.768 -9.253 1.00 0.00 H new ATOM 0 HA THR A 46 -9.096 1.295 -7.571 1.00 0.00 H new ATOM 0 HB THR A 46 -10.107 -1.324 -8.600 1.00 0.00 H new ATOM 0 HG1 THR A 46 -11.405 -1.331 -6.620 1.00 0.00 H new ATOM 0 HG21 THR A 46 -9.293 -2.211 -6.436 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.994 -1.474 -7.403 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.685 -0.591 -6.022 1.00 0.00 H new ATOM 433 N LEU A 47 -7.215 0.981 -9.189 1.00 0.00 N ATOM 434 CA LEU A 47 -6.121 0.833 -10.141 1.00 0.00 C ATOM 435 C LEU A 47 -5.091 -0.192 -9.685 1.00 0.00 C ATOM 436 O LEU A 47 -4.800 -1.146 -10.408 1.00 0.00 O ATOM 437 CB LEU A 47 -5.448 2.184 -10.386 1.00 0.00 C ATOM 438 CG LEU A 47 -6.410 3.358 -10.526 1.00 0.00 C ATOM 439 CD1 LEU A 47 -6.726 3.970 -9.171 1.00 0.00 C ATOM 440 CD2 LEU A 47 -5.841 4.406 -11.468 1.00 0.00 C ATOM 0 H LEU A 47 -6.990 1.537 -8.364 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.551 0.466 -11.073 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.764 2.389 -9.562 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.845 2.116 -11.292 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.341 2.982 -10.950 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.414 4.805 -9.301 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.185 3.217 -8.530 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -5.805 4.327 -8.709 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -6.542 5.236 -11.555 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.892 4.772 -11.075 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.680 3.963 -12.451 1.00 0.00 H new ATOM 452 N VAL A 48 -4.522 0.007 -8.502 1.00 0.00 N ATOM 453 CA VAL A 48 -3.511 -0.911 -7.999 1.00 0.00 C ATOM 454 C VAL A 48 -3.951 -1.610 -6.717 1.00 0.00 C ATOM 455 O VAL A 48 -4.619 -1.026 -5.864 1.00 0.00 O ATOM 456 CB VAL A 48 -2.171 -0.183 -7.755 1.00 0.00 C ATOM 457 CG1 VAL A 48 -1.421 -0.789 -6.578 1.00 0.00 C ATOM 458 CG2 VAL A 48 -1.315 -0.219 -9.009 1.00 0.00 C ATOM 0 H VAL A 48 -4.741 0.786 -7.881 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.375 -1.670 -8.769 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.391 0.856 -7.511 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.482 -0.255 -6.431 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.030 -0.707 -5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.213 -1.840 -6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.374 0.298 -8.822 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.112 -1.255 -9.282 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.844 0.274 -9.825 1.00 0.00 H new ATOM 468 N SER A 49 -3.536 -2.864 -6.593 1.00 0.00 N ATOM 469 CA SER A 49 -3.835 -3.676 -5.424 1.00 0.00 C ATOM 470 C SER A 49 -2.714 -4.684 -5.210 1.00 0.00 C ATOM 471 O SER A 49 -2.489 -5.562 -6.043 1.00 0.00 O ATOM 472 CB SER A 49 -5.176 -4.387 -5.596 1.00 0.00 C ATOM 473 OG SER A 49 -5.152 -5.262 -6.710 1.00 0.00 O ATOM 0 H SER A 49 -2.982 -3.346 -7.301 1.00 0.00 H new ATOM 0 HA SER A 49 -3.907 -3.033 -4.547 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.411 -4.950 -4.693 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.968 -3.649 -5.726 1.00 0.00 H new ATOM 0 HG SER A 49 -4.282 -5.710 -6.755 1.00 0.00 H new ATOM 479 N ALA A 50 -1.997 -4.540 -4.103 1.00 0.00 N ATOM 480 CA ALA A 50 -0.878 -5.429 -3.803 1.00 0.00 C ATOM 481 C ALA A 50 -0.901 -5.912 -2.359 1.00 0.00 C ATOM 482 O ALA A 50 -1.427 -5.239 -1.473 1.00 0.00 O ATOM 483 CB ALA A 50 0.439 -4.726 -4.098 1.00 0.00 C ATOM 0 H ALA A 50 -2.168 -3.821 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.976 -6.306 -4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.268 -5.396 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.475 -4.448 -5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.519 -3.830 -3.483 1.00 0.00 H new ATOM 489 N SER A 51 -0.319 -7.087 -2.134 1.00 0.00 N ATOM 490 CA SER A 51 -0.259 -7.674 -0.801 1.00 0.00 C ATOM 491 C SER A 51 0.984 -8.546 -0.648 1.00 0.00 C ATOM 492 O SER A 51 1.262 -9.395 -1.494 1.00 0.00 O ATOM 493 CB SER A 51 -1.513 -8.507 -0.537 1.00 0.00 C ATOM 494 OG SER A 51 -1.275 -9.502 0.446 1.00 0.00 O ATOM 0 H SER A 51 0.119 -7.652 -2.861 1.00 0.00 H new ATOM 0 HA SER A 51 -0.206 -6.864 -0.073 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.322 -7.855 -0.209 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.840 -8.979 -1.463 1.00 0.00 H new ATOM 0 HG SER A 51 -2.109 -9.696 0.923 1.00 0.00 H new ATOM 500 N SER A 52 1.723 -8.343 0.439 1.00 0.00 N ATOM 501 CA SER A 52 2.926 -9.133 0.691 1.00 0.00 C ATOM 502 C SER A 52 2.582 -10.618 0.759 1.00 0.00 C ATOM 503 O SER A 52 3.402 -11.474 0.426 1.00 0.00 O ATOM 504 CB SER A 52 3.603 -8.701 1.995 1.00 0.00 C ATOM 505 OG SER A 52 3.866 -7.309 2.005 1.00 0.00 O ATOM 0 H SER A 52 1.514 -7.646 1.153 1.00 0.00 H new ATOM 0 HA SER A 52 3.618 -8.961 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.965 -8.958 2.840 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.536 -9.250 2.121 1.00 0.00 H new ATOM 0 HG SER A 52 4.297 -7.063 2.850 1.00 0.00 H new ATOM 679 N GLU A 63 8.646 -6.644 7.300 1.00 0.00 N ATOM 680 CA GLU A 63 9.876 -6.916 6.568 1.00 0.00 C ATOM 681 C GLU A 63 9.683 -6.683 5.073 1.00 0.00 C ATOM 682 O GLU A 63 10.514 -6.048 4.423 1.00 0.00 O ATOM 683 CB GLU A 63 10.335 -8.354 6.817 1.00 0.00 C ATOM 684 CG GLU A 63 10.966 -8.562 8.184 1.00 0.00 C ATOM 685 CD GLU A 63 10.522 -9.855 8.840 1.00 0.00 C ATOM 686 OE1 GLU A 63 10.451 -10.884 8.136 1.00 0.00 O ATOM 687 OE2 GLU A 63 10.245 -9.838 10.058 1.00 0.00 O ATOM 0 HA GLU A 63 10.643 -6.230 6.928 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.480 -9.022 6.715 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.054 -8.636 6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.051 -8.564 8.083 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.708 -7.723 8.831 1.00 0.00 H new ATOM 694 N VAL A 64 8.584 -7.200 4.532 1.00 0.00 N ATOM 695 CA VAL A 64 8.291 -7.045 3.112 1.00 0.00 C ATOM 696 C VAL A 64 7.396 -5.842 2.853 1.00 0.00 C ATOM 697 O VAL A 64 7.393 -5.304 1.751 1.00 0.00 O ATOM 698 CB VAL A 64 7.609 -8.298 2.526 1.00 0.00 C ATOM 699 CG1 VAL A 64 7.176 -8.053 1.082 1.00 0.00 C ATOM 700 CG2 VAL A 64 8.538 -9.500 2.614 1.00 0.00 C ATOM 0 H VAL A 64 7.884 -7.728 5.054 1.00 0.00 H new ATOM 0 HA VAL A 64 9.253 -6.896 2.621 1.00 0.00 H new ATOM 0 HB VAL A 64 6.717 -8.510 3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.697 -8.950 0.689 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.472 -7.222 1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.050 -7.812 0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.041 -10.375 2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.449 -9.297 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.790 -9.689 3.657 1.00 0.00 H new ATOM 710 N ALA A 65 6.624 -5.437 3.860 1.00 0.00 N ATOM 711 CA ALA A 65 5.709 -4.304 3.720 1.00 0.00 C ATOM 712 C ALA A 65 6.248 -3.260 2.748 1.00 0.00 C ATOM 713 O ALA A 65 5.520 -2.745 1.906 1.00 0.00 O ATOM 714 CB ALA A 65 5.435 -3.673 5.068 1.00 0.00 C ATOM 0 H ALA A 65 6.613 -5.875 4.781 1.00 0.00 H new ATOM 0 HA ALA A 65 4.774 -4.687 3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.753 -2.832 4.944 1.00 0.00 H new ATOM 0 HB2 ALA A 65 4.984 -4.412 5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 65 6.371 -3.320 5.501 1.00 0.00 H new ATOM 720 N ARG A 66 7.537 -2.976 2.846 1.00 0.00 N ATOM 721 CA ARG A 66 8.163 -2.019 1.946 1.00 0.00 C ATOM 722 C ARG A 66 8.134 -2.568 0.548 1.00 0.00 C ATOM 723 O ARG A 66 7.530 -1.996 -0.355 1.00 0.00 O ATOM 724 CB ARG A 66 9.599 -1.760 2.351 1.00 0.00 C ATOM 725 CG ARG A 66 9.874 -0.299 2.567 1.00 0.00 C ATOM 726 CD ARG A 66 10.991 0.194 1.682 1.00 0.00 C ATOM 727 NE ARG A 66 12.235 -0.542 1.899 1.00 0.00 N ATOM 728 CZ ARG A 66 13.080 -0.291 2.896 1.00 0.00 C ATOM 729 NH1 ARG A 66 12.819 0.673 3.771 1.00 0.00 N ATOM 730 NH2 ARG A 66 14.190 -1.005 3.020 1.00 0.00 N ATOM 0 H ARG A 66 8.166 -3.390 3.534 1.00 0.00 H new ATOM 0 HA ARG A 66 7.613 -1.079 1.995 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.821 -2.309 3.266 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.267 -2.143 1.580 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.970 0.275 2.366 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.135 -0.128 3.612 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.693 0.100 0.638 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.161 1.254 1.871 1.00 0.00 H new ATOM 0 HE ARG A 66 12.469 -1.292 1.248 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.967 1.226 3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.471 0.860 4.533 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.397 -1.747 2.351 1.00 0.00 H new ATOM 0 HH22 ARG A 66 14.838 -0.812 3.784 1.00 0.00 H new ATOM 744 N GLN A 67 8.771 -3.709 0.398 1.00 0.00 N ATOM 745 CA GLN A 67 8.803 -4.402 -0.876 1.00 0.00 C ATOM 746 C GLN A 67 7.389 -4.466 -1.450 1.00 0.00 C ATOM 747 O GLN A 67 7.197 -4.520 -2.668 1.00 0.00 O ATOM 748 CB GLN A 67 9.364 -5.814 -0.704 1.00 0.00 C ATOM 749 CG GLN A 67 10.882 -5.861 -0.636 1.00 0.00 C ATOM 750 CD GLN A 67 11.392 -6.349 0.706 1.00 0.00 C ATOM 751 OE1 GLN A 67 11.136 -5.734 1.741 1.00 0.00 O ATOM 752 NE2 GLN A 67 12.118 -7.461 0.694 1.00 0.00 N ATOM 0 H GLN A 67 9.278 -4.181 1.147 1.00 0.00 H new ATOM 0 HA GLN A 67 9.452 -3.858 -1.562 1.00 0.00 H new ATOM 0 HB2 GLN A 67 8.954 -6.250 0.207 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.026 -6.434 -1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 67 11.257 -6.516 -1.423 1.00 0.00 H new ATOM 0 HG3 GLN A 67 11.282 -4.866 -0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 67 12.305 -7.938 -0.188 1.00 0.00 H new ATOM 0 HE22 GLN A 67 12.488 -7.838 1.567 1.00 0.00 H new ATOM 761 N VAL A 68 6.392 -4.427 -0.558 1.00 0.00 N ATOM 762 CA VAL A 68 5.007 -4.455 -0.996 1.00 0.00 C ATOM 763 C VAL A 68 4.580 -3.069 -1.460 1.00 0.00 C ATOM 764 O VAL A 68 3.770 -2.932 -2.377 1.00 0.00 O ATOM 765 CB VAL A 68 4.028 -4.995 0.086 1.00 0.00 C ATOM 766 CG1 VAL A 68 3.423 -3.894 0.957 1.00 0.00 C ATOM 767 CG2 VAL A 68 2.920 -5.778 -0.593 1.00 0.00 C ATOM 0 H VAL A 68 6.522 -4.377 0.452 1.00 0.00 H new ATOM 0 HA VAL A 68 4.954 -5.156 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 68 4.606 -5.636 0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.750 -4.339 1.690 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.220 -3.359 1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.867 -3.198 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.230 -6.159 0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.382 -5.125 -1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.351 -6.612 -1.146 1.00 0.00 H new ATOM 777 N GLY A 69 5.145 -2.041 -0.828 1.00 0.00 N ATOM 778 CA GLY A 69 4.820 -0.686 -1.205 1.00 0.00 C ATOM 779 C GLY A 69 5.569 -0.263 -2.446 1.00 0.00 C ATOM 780 O GLY A 69 5.080 0.552 -3.211 1.00 0.00 O ATOM 0 H GLY A 69 5.818 -2.128 -0.066 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.747 -0.603 -1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.062 -0.011 -0.384 1.00 0.00 H new ATOM 784 N ARG A 70 6.767 -0.816 -2.646 1.00 0.00 N ATOM 785 CA ARG A 70 7.568 -0.481 -3.819 1.00 0.00 C ATOM 786 C ARG A 70 6.956 -1.125 -5.043 1.00 0.00 C ATOM 787 O ARG A 70 6.876 -0.506 -6.097 1.00 0.00 O ATOM 788 CB ARG A 70 9.026 -0.916 -3.648 1.00 0.00 C ATOM 789 CG ARG A 70 9.204 -2.413 -3.483 1.00 0.00 C ATOM 790 CD ARG A 70 9.214 -3.131 -4.824 1.00 0.00 C ATOM 791 NE ARG A 70 10.420 -3.937 -5.003 1.00 0.00 N ATOM 792 CZ ARG A 70 10.528 -4.920 -5.894 1.00 0.00 C ATOM 793 NH1 ARG A 70 9.509 -5.221 -6.689 1.00 0.00 N ATOM 794 NH2 ARG A 70 11.660 -5.604 -5.992 1.00 0.00 N ATOM 0 H ARG A 70 7.199 -1.492 -2.015 1.00 0.00 H new ATOM 0 HA ARG A 70 7.569 0.602 -3.941 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.598 -0.585 -4.515 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.446 -0.412 -2.778 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.138 -2.612 -2.957 1.00 0.00 H new ATOM 0 HG3 ARG A 70 8.399 -2.809 -2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.335 -3.771 -4.899 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.144 -2.399 -5.628 1.00 0.00 H new ATOM 0 HE ARG A 70 11.226 -3.735 -4.411 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.636 -4.698 -6.620 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.599 -5.975 -7.370 1.00 0.00 H new ATOM 0 HH21 ARG A 70 12.447 -5.377 -5.385 1.00 0.00 H new ATOM 0 HH22 ARG A 70 11.743 -6.357 -6.675 1.00 0.00 H new ATOM 808 N ALA A 71 6.483 -2.357 -4.891 1.00 0.00 N ATOM 809 CA ALA A 71 5.831 -3.039 -5.993 1.00 0.00 C ATOM 810 C ALA A 71 4.500 -2.357 -6.275 1.00 0.00 C ATOM 811 O ALA A 71 4.099 -2.191 -7.424 1.00 0.00 O ATOM 812 CB ALA A 71 5.621 -4.508 -5.668 1.00 0.00 C ATOM 0 H ALA A 71 6.539 -2.895 -4.026 1.00 0.00 H new ATOM 0 HA ALA A 71 6.464 -2.984 -6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.131 -5.000 -6.508 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.585 -4.981 -5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.996 -4.598 -4.780 1.00 0.00 H new ATOM 818 N LEU A 72 3.843 -1.934 -5.196 1.00 0.00 N ATOM 819 CA LEU A 72 2.569 -1.235 -5.274 1.00 0.00 C ATOM 820 C LEU A 72 2.774 0.105 -5.946 1.00 0.00 C ATOM 821 O LEU A 72 2.120 0.446 -6.928 1.00 0.00 O ATOM 822 CB LEU A 72 2.031 -1.018 -3.864 1.00 0.00 C ATOM 823 CG LEU A 72 0.751 -0.188 -3.763 1.00 0.00 C ATOM 824 CD1 LEU A 72 -0.457 -1.090 -3.558 1.00 0.00 C ATOM 825 CD2 LEU A 72 0.869 0.822 -2.630 1.00 0.00 C ATOM 0 H LEU A 72 4.183 -2.068 -4.244 1.00 0.00 H new ATOM 0 HA LEU A 72 1.858 -1.827 -5.851 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.847 -1.992 -3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.805 -0.532 -3.270 1.00 0.00 H new ATOM 0 HG LEU A 72 0.612 0.355 -4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.358 -0.481 -3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.546 -1.775 -4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.333 -1.661 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.048 1.407 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.029 0.296 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.711 1.487 -2.821 1.00 0.00 H new ATOM 837 N ALA A 73 3.714 0.847 -5.399 1.00 0.00 N ATOM 838 CA ALA A 73 4.068 2.157 -5.926 1.00 0.00 C ATOM 839 C ALA A 73 4.650 2.020 -7.313 1.00 0.00 C ATOM 840 O ALA A 73 4.615 2.958 -8.106 1.00 0.00 O ATOM 841 CB ALA A 73 5.053 2.867 -5.003 1.00 0.00 C ATOM 0 H ALA A 73 4.254 0.565 -4.581 1.00 0.00 H new ATOM 0 HA ALA A 73 3.162 2.761 -5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.302 3.843 -5.419 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.602 2.996 -4.019 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.960 2.270 -4.911 1.00 0.00 H new ATOM 847 N GLU A 74 5.176 0.843 -7.606 1.00 0.00 N ATOM 848 CA GLU A 74 5.756 0.582 -8.901 1.00 0.00 C ATOM 849 C GLU A 74 4.655 0.359 -9.934 1.00 0.00 C ATOM 850 O GLU A 74 4.820 0.692 -11.108 1.00 0.00 O ATOM 851 CB GLU A 74 6.697 -0.613 -8.812 1.00 0.00 C ATOM 852 CG GLU A 74 8.128 -0.228 -8.478 1.00 0.00 C ATOM 853 CD GLU A 74 8.897 -1.352 -7.814 1.00 0.00 C ATOM 854 OE1 GLU A 74 8.426 -2.507 -7.867 1.00 0.00 O ATOM 855 OE2 GLU A 74 9.972 -1.078 -7.239 1.00 0.00 O ATOM 0 H GLU A 74 5.211 0.055 -6.959 1.00 0.00 H new ATOM 0 HA GLU A 74 6.339 1.445 -9.222 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.327 -1.302 -8.053 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.684 -1.148 -9.762 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.643 0.068 -9.392 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.122 0.641 -7.820 1.00 0.00 H new ATOM 862 N LYS A 75 3.510 -0.165 -9.486 1.00 0.00 N ATOM 863 CA LYS A 75 2.377 -0.371 -10.388 1.00 0.00 C ATOM 864 C LYS A 75 1.500 0.877 -10.411 1.00 0.00 C ATOM 865 O LYS A 75 1.162 1.376 -11.485 1.00 0.00 O ATOM 866 CB LYS A 75 1.550 -1.609 -10.045 1.00 0.00 C ATOM 867 CG LYS A 75 1.743 -2.152 -8.647 1.00 0.00 C ATOM 868 CD LYS A 75 0.470 -2.797 -8.160 1.00 0.00 C ATOM 869 CE LYS A 75 0.547 -4.314 -8.228 1.00 0.00 C ATOM 870 NZ LYS A 75 -0.155 -4.961 -7.084 1.00 0.00 N ATOM 0 H LYS A 75 3.346 -0.450 -8.520 1.00 0.00 H new ATOM 0 HA LYS A 75 2.788 -0.550 -11.382 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.495 -1.369 -10.181 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.793 -2.396 -10.759 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.554 -2.880 -8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.032 -1.346 -7.972 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.275 -2.488 -7.133 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.369 -2.448 -8.762 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.107 -4.658 -9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.592 -4.624 -8.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.521 -5.537 -6.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.559 -4.229 -6.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.918 -5.570 -7.444 1.00 0.00 H new ATOM 884 N ALA A 76 1.164 1.417 -9.230 1.00 0.00 N ATOM 885 CA ALA A 76 0.371 2.643 -9.169 1.00 0.00 C ATOM 886 C ALA A 76 1.028 3.684 -10.052 1.00 0.00 C ATOM 887 O ALA A 76 0.373 4.428 -10.784 1.00 0.00 O ATOM 888 CB ALA A 76 0.280 3.168 -7.745 1.00 0.00 C ATOM 0 H ALA A 76 1.425 1.030 -8.323 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.641 2.429 -9.513 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.316 4.081 -7.731 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.191 2.418 -7.110 1.00 0.00 H new ATOM 0 HB3 ALA A 76 1.281 3.383 -7.372 1.00 0.00 H new ATOM 894 N LEU A 77 2.350 3.698 -9.983 1.00 0.00 N ATOM 895 CA LEU A 77 3.151 4.599 -10.776 1.00 0.00 C ATOM 896 C LEU A 77 2.918 4.364 -12.260 1.00 0.00 C ATOM 897 O LEU A 77 2.871 5.304 -13.053 1.00 0.00 O ATOM 898 CB LEU A 77 4.623 4.390 -10.451 1.00 0.00 C ATOM 899 CG LEU A 77 5.201 5.291 -9.365 1.00 0.00 C ATOM 900 CD1 LEU A 77 6.635 4.883 -9.062 1.00 0.00 C ATOM 901 CD2 LEU A 77 5.132 6.751 -9.791 1.00 0.00 C ATOM 0 H LEU A 77 2.891 3.084 -9.375 1.00 0.00 H new ATOM 0 HA LEU A 77 2.862 5.623 -10.538 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.764 3.352 -10.148 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.201 4.537 -11.363 1.00 0.00 H new ATOM 0 HG LEU A 77 4.608 5.177 -8.458 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.041 5.531 -8.285 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.654 3.849 -8.718 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.238 4.977 -9.965 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.549 7.380 -9.004 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.705 6.890 -10.708 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.093 7.030 -9.966 1.00 0.00 H new ATOM 913 N ALA A 78 2.774 3.096 -12.625 1.00 0.00 N ATOM 914 CA ALA A 78 2.544 2.715 -14.011 1.00 0.00 C ATOM 915 C ALA A 78 1.342 3.456 -14.589 1.00 0.00 C ATOM 916 O ALA A 78 1.239 3.645 -15.802 1.00 0.00 O ATOM 917 CB ALA A 78 2.361 1.214 -14.100 1.00 0.00 C ATOM 0 H ALA A 78 2.813 2.311 -11.975 1.00 0.00 H new ATOM 0 HA ALA A 78 3.412 2.997 -14.606 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.189 0.929 -15.138 1.00 0.00 H new ATOM 0 HB2 ALA A 78 3.257 0.716 -13.731 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.505 0.915 -13.495 1.00 0.00 H new ATOM 923 N LEU A 79 0.456 3.908 -13.707 1.00 0.00 N ATOM 924 CA LEU A 79 -0.715 4.667 -14.113 1.00 0.00 C ATOM 925 C LEU A 79 -0.355 6.144 -14.137 1.00 0.00 C ATOM 926 O LEU A 79 -0.954 6.942 -14.857 1.00 0.00 O ATOM 927 CB LEU A 79 -1.878 4.465 -13.130 1.00 0.00 C ATOM 928 CG LEU A 79 -1.830 3.213 -12.248 1.00 0.00 C ATOM 929 CD1 LEU A 79 -2.375 3.533 -10.864 1.00 0.00 C ATOM 930 CD2 LEU A 79 -2.623 2.082 -12.887 1.00 0.00 C ATOM 0 H LEU A 79 0.531 3.759 -12.701 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.026 4.320 -15.098 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.927 5.337 -12.478 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.806 4.442 -13.702 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.794 2.889 -12.150 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.338 2.638 -10.243 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.771 4.317 -10.408 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.407 3.873 -10.949 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.579 1.200 -12.248 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.661 2.390 -13.009 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.198 1.845 -13.862 1.00 0.00 H new ATOM 942 N GLY A 80 0.626 6.488 -13.312 1.00 0.00 N ATOM 943 CA GLY A 80 1.075 7.852 -13.193 1.00 0.00 C ATOM 944 C GLY A 80 0.638 8.455 -11.877 1.00 0.00 C ATOM 945 O GLY A 80 0.661 9.674 -11.701 1.00 0.00 O ATOM 0 H GLY A 80 1.124 5.828 -12.714 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.162 7.889 -13.271 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.676 8.443 -14.018 1.00 0.00 H new ATOM 949 N ILE A 81 0.237 7.590 -10.946 1.00 0.00 N ATOM 950 CA ILE A 81 -0.207 8.029 -9.638 1.00 0.00 C ATOM 951 C ILE A 81 0.966 8.551 -8.834 1.00 0.00 C ATOM 952 O ILE A 81 1.783 7.789 -8.318 1.00 0.00 O ATOM 953 CB ILE A 81 -0.942 6.886 -8.887 1.00 0.00 C ATOM 954 CG1 ILE A 81 -2.381 6.721 -9.412 1.00 0.00 C ATOM 955 CG2 ILE A 81 -0.963 7.128 -7.381 1.00 0.00 C ATOM 956 CD1 ILE A 81 -2.644 7.366 -10.760 1.00 0.00 C ATOM 0 H ILE A 81 0.213 6.579 -11.081 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.919 8.844 -9.769 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.388 5.967 -9.077 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.607 5.657 -9.484 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.070 7.145 -8.682 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.485 6.308 -6.888 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.059 7.184 -7.007 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.478 8.065 -7.170 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.682 7.198 -11.048 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.455 8.437 -10.694 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.984 6.927 -11.508 1.00 0.00 H new ATOM 968 N LYS A 82 1.043 9.869 -8.758 1.00 0.00 N ATOM 969 CA LYS A 82 2.100 10.536 -8.054 1.00 0.00 C ATOM 970 C LYS A 82 1.732 10.764 -6.596 1.00 0.00 C ATOM 971 O LYS A 82 2.432 10.317 -5.691 1.00 0.00 O ATOM 972 CB LYS A 82 2.373 11.864 -8.736 1.00 0.00 C ATOM 973 CG LYS A 82 3.675 12.454 -8.304 1.00 0.00 C ATOM 974 CD LYS A 82 4.286 13.337 -9.380 1.00 0.00 C ATOM 975 CE LYS A 82 5.179 14.410 -8.778 1.00 0.00 C ATOM 976 NZ LYS A 82 6.379 14.671 -9.619 1.00 0.00 N ATOM 0 H LYS A 82 0.366 10.500 -9.188 1.00 0.00 H new ATOM 0 HA LYS A 82 2.992 9.910 -8.075 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.379 11.723 -9.817 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.566 12.561 -8.510 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.524 13.040 -7.397 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.371 11.653 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 82 4.866 12.724 -10.070 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.492 13.806 -9.961 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.610 15.332 -8.662 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.495 14.102 -7.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.961 15.409 -9.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.936 13.798 -9.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.079 14.990 -10.562 1.00 0.00 H new ATOM 990 N GLN A 83 0.627 11.462 -6.383 1.00 0.00 N ATOM 991 CA GLN A 83 0.147 11.758 -5.040 1.00 0.00 C ATOM 992 C GLN A 83 -1.144 11.001 -4.762 1.00 0.00 C ATOM 993 O GLN A 83 -1.941 10.768 -5.671 1.00 0.00 O ATOM 994 CB GLN A 83 -0.085 13.262 -4.880 1.00 0.00 C ATOM 995 CG GLN A 83 1.011 13.965 -4.099 1.00 0.00 C ATOM 996 CD GLN A 83 1.875 14.852 -4.974 1.00 0.00 C ATOM 997 OE1 GLN A 83 1.371 15.707 -5.702 1.00 0.00 O ATOM 998 NE2 GLN A 83 3.186 14.651 -4.908 1.00 0.00 N ATOM 0 H GLN A 83 0.041 11.837 -7.129 1.00 0.00 H new ATOM 0 HA GLN A 83 0.904 11.439 -4.323 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -0.165 13.716 -5.868 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.039 13.423 -4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.560 14.568 -3.310 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.639 13.220 -3.611 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.561 13.931 -4.291 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.818 15.217 -5.475 1.00 0.00 H new ATOM 1007 N VAL A 84 -1.350 10.613 -3.509 1.00 0.00 N ATOM 1008 CA VAL A 84 -2.558 9.878 -3.145 1.00 0.00 C ATOM 1009 C VAL A 84 -3.193 10.417 -1.871 1.00 0.00 C ATOM 1010 O VAL A 84 -2.561 11.132 -1.093 1.00 0.00 O ATOM 1011 CB VAL A 84 -2.299 8.364 -2.945 1.00 0.00 C ATOM 1012 CG1 VAL A 84 -3.389 7.544 -3.608 1.00 0.00 C ATOM 1013 CG2 VAL A 84 -0.936 7.947 -3.470 1.00 0.00 C ATOM 0 H VAL A 84 -0.707 10.791 -2.737 1.00 0.00 H new ATOM 0 HA VAL A 84 -3.236 10.019 -3.987 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.312 8.173 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.189 6.483 -3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -4.354 7.798 -3.169 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.408 7.761 -4.676 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.796 6.878 -3.310 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.874 8.165 -4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.158 8.498 -2.941 1.00 0.00 H new ATOM 1023 N ALA A 85 -4.445 10.033 -1.660 1.00 0.00 N ATOM 1024 CA ALA A 85 -5.190 10.429 -0.475 1.00 0.00 C ATOM 1025 C ALA A 85 -5.188 9.281 0.524 1.00 0.00 C ATOM 1026 O ALA A 85 -5.916 8.303 0.359 1.00 0.00 O ATOM 1027 CB ALA A 85 -6.617 10.814 -0.846 1.00 0.00 C ATOM 0 H ALA A 85 -4.970 9.441 -2.303 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.714 11.299 -0.023 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.160 11.107 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.598 11.648 -1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.115 9.962 -1.309 1.00 0.00 H new ATOM 1033 N PHE A 86 -4.342 9.383 1.541 1.00 0.00 N ATOM 1034 CA PHE A 86 -4.230 8.326 2.532 1.00 0.00 C ATOM 1035 C PHE A 86 -5.330 8.399 3.585 1.00 0.00 C ATOM 1036 O PHE A 86 -5.304 9.243 4.481 1.00 0.00 O ATOM 1037 CB PHE A 86 -2.859 8.372 3.206 1.00 0.00 C ATOM 1038 CG PHE A 86 -2.289 7.008 3.459 1.00 0.00 C ATOM 1039 CD1 PHE A 86 -2.083 6.120 2.411 1.00 0.00 C ATOM 1040 CD2 PHE A 86 -1.981 6.604 4.747 1.00 0.00 C ATOM 1041 CE1 PHE A 86 -1.578 4.856 2.651 1.00 0.00 C ATOM 1042 CE2 PHE A 86 -1.484 5.340 4.991 1.00 0.00 C ATOM 1043 CZ PHE A 86 -1.283 4.465 3.943 1.00 0.00 C ATOM 0 H PHE A 86 -3.728 10.182 1.699 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.346 7.380 2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.170 8.938 2.579 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.942 8.907 4.152 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.319 6.420 1.401 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -2.132 7.286 5.571 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -1.414 4.175 1.829 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -1.253 5.036 6.001 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.895 3.475 4.133 1.00 0.00 H new ATOM 1053 N ASP A 87 -6.278 7.477 3.472 1.00 0.00 N ATOM 1054 CA ASP A 87 -7.390 7.374 4.405 1.00 0.00 C ATOM 1055 C ASP A 87 -7.718 5.901 4.636 1.00 0.00 C ATOM 1056 O ASP A 87 -8.699 5.381 4.103 1.00 0.00 O ATOM 1057 CB ASP A 87 -8.613 8.116 3.861 1.00 0.00 C ATOM 1058 CG ASP A 87 -9.107 9.190 4.811 1.00 0.00 C ATOM 1059 OD1 ASP A 87 -8.335 10.129 5.097 1.00 0.00 O ATOM 1060 OD2 ASP A 87 -10.265 9.092 5.268 1.00 0.00 O ATOM 0 H ASP A 87 -6.296 6.779 2.729 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.110 7.833 5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.362 8.570 2.902 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.415 7.402 3.676 1.00 0.00 H new ATOM 1065 N ARG A 88 -6.877 5.227 5.418 1.00 0.00 N ATOM 1066 CA ARG A 88 -7.073 3.805 5.695 1.00 0.00 C ATOM 1067 C ARG A 88 -8.444 3.564 6.316 1.00 0.00 C ATOM 1068 O ARG A 88 -9.103 2.564 6.033 1.00 0.00 O ATOM 1069 CB ARG A 88 -5.990 3.224 6.622 1.00 0.00 C ATOM 1070 CG ARG A 88 -5.170 4.223 7.400 1.00 0.00 C ATOM 1071 CD ARG A 88 -4.105 4.820 6.529 1.00 0.00 C ATOM 1072 NE ARG A 88 -3.795 3.971 5.383 1.00 0.00 N ATOM 1073 CZ ARG A 88 -4.118 4.272 4.127 1.00 0.00 C ATOM 1074 NH1 ARG A 88 -4.630 5.453 3.823 1.00 0.00 N ATOM 1075 NH2 ARG A 88 -3.891 3.400 3.164 1.00 0.00 N ATOM 0 H ARG A 88 -6.059 5.638 5.868 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.001 3.293 4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.472 2.551 7.331 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.312 2.620 6.019 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.817 5.011 7.786 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -4.713 3.735 8.261 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.431 5.799 6.177 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.202 4.978 7.118 1.00 0.00 H new ATOM 0 HE ARG A 88 -3.302 3.095 5.555 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -4.782 6.147 4.555 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.873 5.670 2.856 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.469 2.497 3.382 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -4.138 3.628 2.201 1.00 0.00 H new ATOM 1089 N GLY A 89 -8.858 4.488 7.177 1.00 0.00 N ATOM 1090 CA GLY A 89 -10.139 4.367 7.847 1.00 0.00 C ATOM 1091 C GLY A 89 -9.974 4.147 9.340 1.00 0.00 C ATOM 1092 O GLY A 89 -9.542 5.052 10.054 1.00 0.00 O ATOM 0 H GLY A 89 -8.326 5.322 7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -10.726 5.269 7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.698 3.536 7.416 1.00 0.00 H new ATOM 1096 N PRO A 90 -10.304 2.947 9.849 1.00 0.00 N ATOM 1097 CA PRO A 90 -10.179 2.628 11.266 1.00 0.00 C ATOM 1098 C PRO A 90 -8.810 2.043 11.611 1.00 0.00 C ATOM 1099 O PRO A 90 -8.688 1.222 12.519 1.00 0.00 O ATOM 1100 CB PRO A 90 -11.270 1.581 11.453 1.00 0.00 C ATOM 1101 CG PRO A 90 -11.306 0.840 10.156 1.00 0.00 C ATOM 1102 CD PRO A 90 -10.828 1.799 9.087 1.00 0.00 C ATOM 0 HA PRO A 90 -10.276 3.504 11.908 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -11.042 0.914 12.284 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -12.232 2.045 11.672 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -10.667 -0.042 10.197 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -12.316 0.492 9.938 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -10.057 1.349 8.462 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -11.641 2.097 8.425 1.00 0.00 H new ATOM 1110 N TYR A 91 -7.785 2.466 10.875 1.00 0.00 N ATOM 1111 CA TYR A 91 -6.428 1.977 11.099 1.00 0.00 C ATOM 1112 C TYR A 91 -5.587 3.005 11.844 1.00 0.00 C ATOM 1113 O TYR A 91 -5.847 4.207 11.777 1.00 0.00 O ATOM 1114 CB TYR A 91 -5.750 1.651 9.768 1.00 0.00 C ATOM 1115 CG TYR A 91 -6.200 0.351 9.140 1.00 0.00 C ATOM 1116 CD1 TYR A 91 -7.538 -0.026 9.146 1.00 0.00 C ATOM 1117 CD2 TYR A 91 -5.282 -0.496 8.532 1.00 0.00 C ATOM 1118 CE1 TYR A 91 -7.946 -1.212 8.565 1.00 0.00 C ATOM 1119 CE2 TYR A 91 -5.683 -1.682 7.949 1.00 0.00 C ATOM 1120 CZ TYR A 91 -7.016 -2.035 7.968 1.00 0.00 C ATOM 1121 OH TYR A 91 -7.418 -3.216 7.389 1.00 0.00 O ATOM 0 H TYR A 91 -7.869 3.146 10.119 1.00 0.00 H new ATOM 0 HA TYR A 91 -6.503 1.074 11.705 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -5.941 2.464 9.068 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.672 1.611 9.923 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -8.270 0.617 9.612 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.237 -0.222 8.515 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.989 -1.492 8.579 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.957 -2.330 7.481 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.096 -3.031 6.706 1.00 0.00 H new ATOM 1131 N LYS A 92 -4.567 2.520 12.540 1.00 0.00 N ATOM 1132 CA LYS A 92 -3.664 3.384 13.286 1.00 0.00 C ATOM 1133 C LYS A 92 -2.215 3.013 12.990 1.00 0.00 C ATOM 1134 O LYS A 92 -1.915 1.855 12.696 1.00 0.00 O ATOM 1135 CB LYS A 92 -3.936 3.270 14.788 1.00 0.00 C ATOM 1136 CG LYS A 92 -3.595 4.532 15.564 1.00 0.00 C ATOM 1137 CD LYS A 92 -2.865 4.215 16.859 1.00 0.00 C ATOM 1138 CE LYS A 92 -1.722 5.185 17.105 1.00 0.00 C ATOM 1139 NZ LYS A 92 -2.168 6.602 17.010 1.00 0.00 N ATOM 0 H LYS A 92 -4.344 1.527 12.603 1.00 0.00 H new ATOM 0 HA LYS A 92 -3.836 4.415 12.976 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -4.989 3.032 14.941 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -3.359 2.438 15.191 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -2.975 5.183 14.947 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.510 5.081 15.787 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.566 4.258 17.693 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -2.478 3.197 16.820 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.297 5.003 18.092 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.929 5.004 16.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.513 7.209 17.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -2.179 6.896 16.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.125 6.692 17.408 1.00 0.00 H new ATOM 1153 N TYR A 93 -1.317 3.993 13.073 1.00 0.00 N ATOM 1154 CA TYR A 93 0.103 3.752 12.819 1.00 0.00 C ATOM 1155 C TYR A 93 0.537 2.509 13.599 1.00 0.00 C ATOM 1156 O TYR A 93 0.574 2.528 14.829 1.00 0.00 O ATOM 1157 CB TYR A 93 0.914 4.978 13.254 1.00 0.00 C ATOM 1158 CG TYR A 93 2.159 5.232 12.431 1.00 0.00 C ATOM 1159 CD1 TYR A 93 2.128 5.135 11.045 1.00 0.00 C ATOM 1160 CD2 TYR A 93 3.356 5.594 13.037 1.00 0.00 C ATOM 1161 CE1 TYR A 93 3.255 5.387 10.285 1.00 0.00 C ATOM 1162 CE2 TYR A 93 4.488 5.851 12.284 1.00 0.00 C ATOM 1163 CZ TYR A 93 4.433 5.746 10.908 1.00 0.00 C ATOM 1164 OH TYR A 93 5.558 6.002 10.157 1.00 0.00 O ATOM 0 H TYR A 93 -1.546 4.958 13.313 1.00 0.00 H new ATOM 0 HA TYR A 93 0.277 3.585 11.756 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.274 5.859 13.202 1.00 0.00 H new ATOM 0 HB3 TYR A 93 1.203 4.855 14.298 1.00 0.00 H new ATOM 0 HD1 TYR A 93 1.207 4.858 10.553 1.00 0.00 H new ATOM 0 HD2 TYR A 93 3.403 5.676 14.113 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.214 5.303 9.209 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.410 6.132 12.770 1.00 0.00 H new ATOM 0 HH TYR A 93 6.300 6.242 10.751 1.00 0.00 H new ATOM 1174 N HIS A 94 0.815 1.414 12.889 1.00 0.00 N ATOM 1175 CA HIS A 94 1.183 0.162 13.555 1.00 0.00 C ATOM 1176 C HIS A 94 2.559 -0.354 13.137 1.00 0.00 C ATOM 1177 O HIS A 94 3.532 -0.217 13.879 1.00 0.00 O ATOM 1178 CB HIS A 94 0.117 -0.901 13.271 1.00 0.00 C ATOM 1179 CG HIS A 94 -0.017 -1.920 14.360 1.00 0.00 C ATOM 1180 ND1 HIS A 94 0.791 -1.939 15.477 1.00 0.00 N ATOM 1181 CD2 HIS A 94 -0.873 -2.961 14.500 1.00 0.00 C ATOM 1182 CE1 HIS A 94 0.439 -2.946 16.256 1.00 0.00 C ATOM 1183 NE2 HIS A 94 -0.568 -3.581 15.686 1.00 0.00 N ATOM 0 H HIS A 94 0.793 1.367 11.870 1.00 0.00 H new ATOM 0 HA HIS A 94 1.237 0.369 14.624 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.845 -0.409 13.124 1.00 0.00 H new ATOM 0 HB3 HIS A 94 0.361 -1.408 12.338 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -1.650 -3.249 13.808 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.897 -3.206 17.199 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -1.043 -4.400 16.066 1.00 0.00 H new ATOM 1192 N GLY A 95 2.635 -0.960 11.959 1.00 0.00 N ATOM 1193 CA GLY A 95 3.894 -1.496 11.480 1.00 0.00 C ATOM 1194 C GLY A 95 3.924 -1.595 9.973 1.00 0.00 C ATOM 1195 O GLY A 95 4.815 -1.048 9.323 1.00 0.00 O ATOM 0 H GLY A 95 1.846 -1.090 11.326 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.712 -0.860 11.819 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.057 -2.483 11.913 1.00 0.00 H new ATOM 1199 N ARG A 96 2.933 -2.279 9.411 1.00 0.00 N ATOM 1200 CA ARG A 96 2.835 -2.428 7.967 1.00 0.00 C ATOM 1201 C ARG A 96 2.854 -1.053 7.312 1.00 0.00 C ATOM 1202 O ARG A 96 3.746 -0.744 6.528 1.00 0.00 O ATOM 1203 CB ARG A 96 1.558 -3.185 7.603 1.00 0.00 C ATOM 1204 CG ARG A 96 1.346 -4.435 8.445 1.00 0.00 C ATOM 1205 CD ARG A 96 1.061 -5.652 7.582 1.00 0.00 C ATOM 1206 NE ARG A 96 0.559 -6.774 8.373 1.00 0.00 N ATOM 1207 CZ ARG A 96 0.768 -8.055 8.070 1.00 0.00 C ATOM 1208 NH1 ARG A 96 1.470 -8.389 6.994 1.00 0.00 N ATOM 1209 NH2 ARG A 96 0.272 -9.006 8.850 1.00 0.00 N ATOM 0 H ARG A 96 2.188 -2.738 9.935 1.00 0.00 H new ATOM 0 HA ARG A 96 3.686 -3.002 7.602 1.00 0.00 H new ATOM 0 HB2 ARG A 96 0.702 -2.522 7.726 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.596 -3.465 6.550 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.232 -4.619 9.053 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.516 -4.274 9.133 1.00 0.00 H new ATOM 0 HD2 ARG A 96 0.330 -5.391 6.816 1.00 0.00 H new ATOM 0 HD3 ARG A 96 1.972 -5.952 7.064 1.00 0.00 H new ATOM 0 HE ARG A 96 0.015 -6.563 9.209 1.00 0.00 H new ATOM 0 HH11 ARG A 96 1.855 -7.662 6.390 1.00 0.00 H new ATOM 0 HH12 ARG A 96 1.624 -9.372 6.771 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -0.268 -8.756 9.679 1.00 0.00 H new ATOM 0 HH22 ARG A 96 0.430 -9.987 8.621 1.00 0.00 H new ATOM 1223 N VAL A 97 1.876 -0.223 7.674 1.00 0.00 N ATOM 1224 CA VAL A 97 1.779 1.142 7.162 1.00 0.00 C ATOM 1225 C VAL A 97 3.145 1.787 7.079 1.00 0.00 C ATOM 1226 O VAL A 97 3.453 2.498 6.134 1.00 0.00 O ATOM 1227 CB VAL A 97 0.914 2.016 8.082 1.00 0.00 C ATOM 1228 CG1 VAL A 97 0.682 3.388 7.473 1.00 0.00 C ATOM 1229 CG2 VAL A 97 -0.392 1.324 8.384 1.00 0.00 C ATOM 0 H VAL A 97 1.134 -0.476 8.326 1.00 0.00 H new ATOM 0 HA VAL A 97 1.329 1.074 6.171 1.00 0.00 H new ATOM 0 HB VAL A 97 1.448 2.162 9.021 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.067 3.985 8.146 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.640 3.885 7.320 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.173 3.280 6.515 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.995 1.955 9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.932 1.143 7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -0.194 0.373 8.879 1.00 0.00 H new ATOM 1239 N LYS A 98 3.957 1.542 8.090 1.00 0.00 N ATOM 1240 CA LYS A 98 5.286 2.109 8.136 1.00 0.00 C ATOM 1241 C LYS A 98 6.095 1.701 6.910 1.00 0.00 C ATOM 1242 O LYS A 98 6.288 2.493 5.987 1.00 0.00 O ATOM 1243 CB LYS A 98 6.000 1.673 9.411 1.00 0.00 C ATOM 1244 CG LYS A 98 6.372 2.841 10.301 1.00 0.00 C ATOM 1245 CD LYS A 98 5.911 2.638 11.730 1.00 0.00 C ATOM 1246 CE LYS A 98 4.402 2.559 11.820 1.00 0.00 C ATOM 1247 NZ LYS A 98 3.960 2.151 13.178 1.00 0.00 N ATOM 0 H LYS A 98 3.717 0.954 8.888 1.00 0.00 H new ATOM 0 HA LYS A 98 5.195 3.195 8.136 1.00 0.00 H new ATOM 0 HB2 LYS A 98 5.358 0.989 9.966 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.902 1.121 9.147 1.00 0.00 H new ATOM 0 HG2 LYS A 98 7.453 2.978 10.285 1.00 0.00 H new ATOM 0 HG3 LYS A 98 5.929 3.754 9.904 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.349 1.723 12.128 1.00 0.00 H new ATOM 0 HD3 LYS A 98 6.271 3.459 12.350 1.00 0.00 H new ATOM 0 HE2 LYS A 98 3.970 3.528 11.571 1.00 0.00 H new ATOM 0 HE3 LYS A 98 4.029 1.846 11.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.921 2.156 13.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.311 1.194 13.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.338 2.817 13.881 1.00 0.00 H new ATOM 1261 N ALA A 99 6.564 0.460 6.910 1.00 0.00 N ATOM 1262 CA ALA A 99 7.356 -0.061 5.806 1.00 0.00 C ATOM 1263 C ALA A 99 6.575 -0.054 4.494 1.00 0.00 C ATOM 1264 O ALA A 99 7.146 0.170 3.431 1.00 0.00 O ATOM 1265 CB ALA A 99 7.835 -1.469 6.125 1.00 0.00 C ATOM 0 H ALA A 99 6.408 -0.206 7.666 1.00 0.00 H new ATOM 0 HA ALA A 99 8.218 0.594 5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.427 -1.849 5.292 1.00 0.00 H new ATOM 0 HB2 ALA A 99 8.448 -1.449 7.026 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.974 -2.119 6.285 1.00 0.00 H new ATOM 1271 N LEU A 100 5.271 -0.297 4.570 1.00 0.00 N ATOM 1272 CA LEU A 100 4.428 -0.322 3.391 1.00 0.00 C ATOM 1273 C LEU A 100 4.334 1.053 2.770 1.00 0.00 C ATOM 1274 O LEU A 100 4.481 1.220 1.559 1.00 0.00 O ATOM 1275 CB LEU A 100 3.026 -0.808 3.762 1.00 0.00 C ATOM 1276 CG LEU A 100 1.966 -0.567 2.691 1.00 0.00 C ATOM 1277 CD1 LEU A 100 0.963 -1.708 2.663 1.00 0.00 C ATOM 1278 CD2 LEU A 100 1.256 0.766 2.913 1.00 0.00 C ATOM 0 H LEU A 100 4.777 -0.480 5.444 1.00 0.00 H new ATOM 0 HA LEU A 100 4.873 -1.005 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.071 -1.876 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.715 -0.311 4.681 1.00 0.00 H new ATOM 0 HG LEU A 100 2.468 -0.525 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.216 -1.517 1.893 1.00 0.00 H new ATOM 0 HD12 LEU A 100 1.480 -2.642 2.443 1.00 0.00 H new ATOM 0 HD13 LEU A 100 0.472 -1.785 3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.506 0.913 2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 100 0.771 0.762 3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.983 1.577 2.873 1.00 0.00 H new ATOM 1290 N ALA A 101 4.061 2.028 3.611 1.00 0.00 N ATOM 1291 CA ALA A 101 3.912 3.396 3.158 1.00 0.00 C ATOM 1292 C ALA A 101 5.201 3.915 2.539 1.00 0.00 C ATOM 1293 O ALA A 101 5.156 4.677 1.575 1.00 0.00 O ATOM 1294 CB ALA A 101 3.424 4.277 4.289 1.00 0.00 C ATOM 0 H ALA A 101 3.937 1.899 4.615 1.00 0.00 H new ATOM 0 HA ALA A 101 3.156 3.422 2.373 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.317 5.301 3.932 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.459 3.914 4.643 1.00 0.00 H new ATOM 0 HB3 ALA A 101 4.144 4.251 5.107 1.00 0.00 H new ATOM 1300 N GLU A 102 6.356 3.472 3.045 1.00 0.00 N ATOM 1301 CA GLU A 102 7.614 3.898 2.441 1.00 0.00 C ATOM 1302 C GLU A 102 7.693 3.282 1.061 1.00 0.00 C ATOM 1303 O GLU A 102 7.983 3.960 0.095 1.00 0.00 O ATOM 1304 CB GLU A 102 8.862 3.527 3.256 1.00 0.00 C ATOM 1305 CG GLU A 102 8.575 2.899 4.614 1.00 0.00 C ATOM 1306 CD GLU A 102 9.840 2.505 5.352 1.00 0.00 C ATOM 1307 OE1 GLU A 102 10.409 3.366 6.056 1.00 0.00 O ATOM 1308 OE2 GLU A 102 10.262 1.337 5.228 1.00 0.00 O ATOM 0 H GLU A 102 6.444 2.842 3.842 1.00 0.00 H new ATOM 0 HA GLU A 102 7.611 4.987 2.403 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.467 2.834 2.672 1.00 0.00 H new ATOM 0 HB3 GLU A 102 9.461 4.425 3.406 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.007 3.602 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.948 2.018 4.478 1.00 0.00 H new ATOM 1315 N GLY A 103 7.368 1.995 0.968 1.00 0.00 N ATOM 1316 CA GLY A 103 7.354 1.328 -0.321 1.00 0.00 C ATOM 1317 C GLY A 103 6.599 2.147 -1.334 1.00 0.00 C ATOM 1318 O GLY A 103 7.104 2.504 -2.397 1.00 0.00 O ATOM 0 H GLY A 103 7.115 1.404 1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 103 8.376 1.167 -0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.892 0.345 -0.223 1.00 0.00 H new ATOM 1322 N ALA A 104 5.350 2.417 -0.971 1.00 0.00 N ATOM 1323 CA ALA A 104 4.436 3.175 -1.800 1.00 0.00 C ATOM 1324 C ALA A 104 4.948 4.591 -2.039 1.00 0.00 C ATOM 1325 O ALA A 104 4.785 5.144 -3.124 1.00 0.00 O ATOM 1326 CB ALA A 104 3.062 3.197 -1.157 1.00 0.00 C ATOM 0 H ALA A 104 4.946 2.111 -0.086 1.00 0.00 H new ATOM 0 HA ALA A 104 4.365 2.688 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 104 2.376 3.768 -1.783 1.00 0.00 H new ATOM 0 HB2 ALA A 104 2.693 2.177 -1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.128 3.662 -0.173 1.00 0.00 H new ATOM 1332 N ARG A 105 5.584 5.175 -1.026 1.00 0.00 N ATOM 1333 CA ARG A 105 6.127 6.527 -1.147 1.00 0.00 C ATOM 1334 C ARG A 105 7.540 6.491 -1.725 1.00 0.00 C ATOM 1335 O ARG A 105 7.976 7.431 -2.389 1.00 0.00 O ATOM 1336 CB ARG A 105 6.114 7.237 0.214 1.00 0.00 C ATOM 1337 CG ARG A 105 6.921 8.530 0.260 1.00 0.00 C ATOM 1338 CD ARG A 105 6.081 9.725 -0.161 1.00 0.00 C ATOM 1339 NE ARG A 105 5.436 10.371 0.980 1.00 0.00 N ATOM 1340 CZ ARG A 105 6.060 11.200 1.813 1.00 0.00 C ATOM 1341 NH1 ARG A 105 7.343 11.489 1.637 1.00 0.00 N ATOM 1342 NH2 ARG A 105 5.398 11.744 2.826 1.00 0.00 N ATOM 0 H ARG A 105 5.736 4.737 -0.117 1.00 0.00 H new ATOM 0 HA ARG A 105 5.494 7.091 -1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 105 5.081 7.458 0.484 1.00 0.00 H new ATOM 0 HB3 ARG A 105 6.502 6.554 0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 105 7.300 8.688 1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 105 7.787 8.443 -0.396 1.00 0.00 H new ATOM 0 HD2 ARG A 105 6.713 10.448 -0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.321 9.401 -0.872 1.00 0.00 H new ATOM 0 HE ARG A 105 4.449 10.175 1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 105 7.857 11.075 0.859 1.00 0.00 H new ATOM 0 HH12 ARG A 105 7.815 12.125 2.279 1.00 0.00 H new ATOM 0 HH21 ARG A 105 4.411 11.527 2.966 1.00 0.00 H new ATOM 0 HH22 ARG A 105 5.876 12.380 3.465 1.00 0.00 H new ATOM 1356 N GLU A 106 8.240 5.395 -1.476 1.00 0.00 N ATOM 1357 CA GLU A 106 9.591 5.215 -1.973 1.00 0.00 C ATOM 1358 C GLU A 106 9.522 4.865 -3.455 1.00 0.00 C ATOM 1359 O GLU A 106 10.365 5.279 -4.251 1.00 0.00 O ATOM 1360 CB GLU A 106 10.304 4.103 -1.179 1.00 0.00 C ATOM 1361 CG GLU A 106 10.167 2.713 -1.783 1.00 0.00 C ATOM 1362 CD GLU A 106 11.039 1.687 -1.088 1.00 0.00 C ATOM 1363 OE1 GLU A 106 11.764 2.065 -0.143 1.00 0.00 O ATOM 1364 OE2 GLU A 106 10.999 0.505 -1.489 1.00 0.00 O ATOM 0 H GLU A 106 7.888 4.611 -0.927 1.00 0.00 H new ATOM 0 HA GLU A 106 10.162 6.134 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.363 4.350 -1.102 1.00 0.00 H new ATOM 0 HB3 GLU A 106 9.906 4.086 -0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 106 9.125 2.397 -1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 106 10.431 2.753 -2.840 1.00 0.00 H new ATOM 1371 N GLY A 107 8.487 4.103 -3.810 1.00 0.00 N ATOM 1372 CA GLY A 107 8.287 3.706 -5.187 1.00 0.00 C ATOM 1373 C GLY A 107 7.909 4.893 -6.062 1.00 0.00 C ATOM 1374 O GLY A 107 8.499 5.091 -7.124 1.00 0.00 O ATOM 0 H GLY A 107 7.782 3.754 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.198 3.246 -5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 107 7.503 2.951 -5.239 1.00 0.00 H new ATOM 1378 N GLY A 108 6.938 5.701 -5.614 1.00 0.00 N ATOM 1379 CA GLY A 108 6.540 6.869 -6.391 1.00 0.00 C ATOM 1380 C GLY A 108 5.352 7.638 -5.821 1.00 0.00 C ATOM 1381 O GLY A 108 5.217 8.837 -6.067 1.00 0.00 O ATOM 0 H GLY A 108 6.429 5.568 -4.740 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.391 7.546 -6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.296 6.549 -7.404 1.00 0.00 H new ATOM 1385 N LEU A 109 4.473 6.955 -5.095 1.00 0.00 N ATOM 1386 CA LEU A 109 3.281 7.585 -4.538 1.00 0.00 C ATOM 1387 C LEU A 109 3.590 8.538 -3.393 1.00 0.00 C ATOM 1388 O LEU A 109 4.467 8.292 -2.573 1.00 0.00 O ATOM 1389 CB LEU A 109 2.315 6.510 -4.055 1.00 0.00 C ATOM 1390 CG LEU A 109 1.628 5.742 -5.171 1.00 0.00 C ATOM 1391 CD1 LEU A 109 2.654 5.133 -6.104 1.00 0.00 C ATOM 1392 CD2 LEU A 109 0.704 4.678 -4.602 1.00 0.00 C ATOM 0 H LEU A 109 4.564 5.962 -4.878 1.00 0.00 H new ATOM 0 HA LEU A 109 2.833 8.178 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.859 5.805 -3.426 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.554 6.976 -3.428 1.00 0.00 H new ATOM 0 HG LEU A 109 1.019 6.439 -5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.145 4.586 -6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.263 5.924 -6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.294 4.450 -5.545 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.222 4.140 -5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.283 3.979 -3.998 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -0.056 5.151 -3.981 1.00 0.00 H new ATOM 1404 N GLU A 110 2.834 9.624 -3.345 1.00 0.00 N ATOM 1405 CA GLU A 110 2.981 10.628 -2.300 1.00 0.00 C ATOM 1406 C GLU A 110 1.637 10.909 -1.642 1.00 0.00 C ATOM 1407 O GLU A 110 0.853 11.727 -2.125 1.00 0.00 O ATOM 1408 CB GLU A 110 3.573 11.913 -2.868 1.00 0.00 C ATOM 1409 CG GLU A 110 5.092 11.950 -2.805 1.00 0.00 C ATOM 1410 CD GLU A 110 5.735 11.857 -4.175 1.00 0.00 C ATOM 1411 OE1 GLU A 110 5.784 12.888 -4.878 1.00 0.00 O ATOM 1412 OE2 GLU A 110 6.189 10.754 -4.544 1.00 0.00 O ATOM 0 H GLU A 110 2.104 9.835 -4.026 1.00 0.00 H new ATOM 0 HA GLU A 110 3.664 10.240 -1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 110 3.256 12.025 -3.905 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.172 12.765 -2.318 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.409 12.873 -2.321 1.00 0.00 H new ATOM 0 HG3 GLU A 110 5.446 11.127 -2.185 1.00 0.00 H new ATOM 1419 N PHE A 111 1.372 10.210 -0.549 1.00 0.00 N ATOM 1420 CA PHE A 111 0.116 10.357 0.175 1.00 0.00 C ATOM 1421 C PHE A 111 0.359 10.813 1.610 1.00 0.00 C ATOM 1422 O PHE A 111 -0.309 11.775 2.046 1.00 0.00 O ATOM 1423 CB PHE A 111 -0.631 9.023 0.163 1.00 0.00 C ATOM 1424 CG PHE A 111 0.287 7.845 0.288 1.00 0.00 C ATOM 1425 CD1 PHE A 111 0.998 7.396 -0.809 1.00 0.00 C ATOM 1426 CD2 PHE A 111 0.455 7.203 1.501 1.00 0.00 C ATOM 1427 CE1 PHE A 111 1.859 6.325 -0.700 1.00 0.00 C ATOM 1428 CE2 PHE A 111 1.316 6.131 1.619 1.00 0.00 C ATOM 1429 CZ PHE A 111 2.019 5.691 0.516 1.00 0.00 C ATOM 1430 OXT PHE A 111 1.214 10.205 2.287 1.00 0.00 O ATOM 0 H PHE A 111 2.014 9.531 -0.141 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.486 11.120 -0.318 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.350 9.007 0.982 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.200 8.938 -0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 111 0.878 7.890 -1.762 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -0.094 7.544 2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 111 2.408 5.982 -1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 111 1.439 5.638 2.572 1.00 0.00 H new ATOM 0 HZ PHE A 111 2.693 4.852 0.604 1.00 0.00 H new