USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 687 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 89 ASN : amide:sc= 0.537 K(o=1.6,f=-1.9!) USER MOD Set 1.2: A 91 THR OG1 : rot 46:sc= 1.09 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 46 SER OG : rot -170:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HE2:sc= -0.306 K(o=-0.31,f=-2.7!) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.173 K(o=-0.17,f=-1.5!) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.336 K(o=-0.34,f=-0.84) USER MOD Single : A 74 TYR OH : rot -34:sc= 1.1 USER MOD Single : A 79 MET CE :methyl -158:sc= -0.264 (180deg=-0.479) USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 ASN : amide:sc= 0.721 K(o=0.72,f=-1!) USER MOD Single : A 87 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.59) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -13.471 -8.560 11.625 1.00 0.00 N ATOM 67 CA TYR A 8 -12.698 -8.610 10.384 1.00 0.00 C ATOM 68 C TYR A 8 -11.289 -9.098 10.683 1.00 0.00 C ATOM 69 O TYR A 8 -10.900 -9.221 11.842 1.00 0.00 O ATOM 70 CB TYR A 8 -12.764 -7.280 9.606 1.00 0.00 C ATOM 71 CG TYR A 8 -12.158 -6.077 10.269 1.00 0.00 C ATOM 72 CD1 TYR A 8 -12.937 -5.281 11.119 1.00 0.00 C ATOM 73 CD2 TYR A 8 -10.846 -5.710 9.949 1.00 0.00 C ATOM 74 CE1 TYR A 8 -12.389 -4.113 11.670 1.00 0.00 C ATOM 75 CE2 TYR A 8 -10.293 -4.533 10.482 1.00 0.00 C ATOM 76 CZ TYR A 8 -11.073 -3.719 11.341 1.00 0.00 C ATOM 77 OH TYR A 8 -10.598 -2.529 11.801 1.00 0.00 O ATOM 0 HA TYR A 8 -13.145 -9.335 9.704 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -12.269 -7.424 8.645 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -13.811 -7.061 9.396 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -13.953 -5.565 11.349 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -10.257 -6.332 9.291 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -12.976 -3.512 12.349 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -9.279 -4.250 10.238 1.00 0.00 H new ATOM 0 HH TYR A 8 -9.677 -2.402 11.490 1.00 0.00 H new ATOM 87 N LYS A 9 -10.537 -9.430 9.640 1.00 0.00 N ATOM 88 CA LYS A 9 -9.123 -9.756 9.739 1.00 0.00 C ATOM 89 C LYS A 9 -8.423 -8.775 8.827 1.00 0.00 C ATOM 90 O LYS A 9 -8.861 -8.622 7.681 1.00 0.00 O ATOM 91 CB LYS A 9 -8.864 -11.210 9.310 1.00 0.00 C ATOM 92 CG LYS A 9 -9.133 -12.203 10.451 1.00 0.00 C ATOM 93 CD LYS A 9 -9.047 -13.676 10.016 1.00 0.00 C ATOM 94 CE LYS A 9 -7.672 -14.043 9.437 1.00 0.00 C ATOM 95 NZ LYS A 9 -7.558 -15.484 9.131 1.00 0.00 N ATOM 0 H LYS A 9 -10.900 -9.480 8.688 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.756 -9.678 10.762 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.499 -11.455 8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.831 -11.311 8.977 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -8.415 -12.027 11.252 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.124 -12.011 10.863 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.259 -14.317 10.872 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.816 -13.876 9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.497 -13.466 8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.895 -13.762 10.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.614 -15.683 8.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.698 -16.036 10.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.282 -15.749 8.433 1.00 0.00 H new ATOM 109 N GLU A 10 -7.365 -8.139 9.317 1.00 0.00 N ATOM 110 CA GLU A 10 -6.406 -7.451 8.476 1.00 0.00 C ATOM 111 C GLU A 10 -5.442 -8.532 7.998 1.00 0.00 C ATOM 112 O GLU A 10 -5.081 -9.450 8.744 1.00 0.00 O ATOM 113 CB GLU A 10 -5.675 -6.350 9.273 1.00 0.00 C ATOM 114 CG GLU A 10 -6.166 -4.974 8.826 1.00 0.00 C ATOM 115 CD GLU A 10 -5.673 -3.790 9.668 1.00 0.00 C ATOM 116 OE1 GLU A 10 -4.484 -3.701 10.058 1.00 0.00 O ATOM 117 OE2 GLU A 10 -6.535 -2.922 9.946 1.00 0.00 O ATOM 0 H GLU A 10 -7.152 -8.089 10.313 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.882 -6.947 7.635 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -5.854 -6.481 10.340 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -4.599 -6.430 9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.857 -4.816 7.793 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.256 -4.976 8.836 1.00 0.00 H new ATOM 124 N LEU A 11 -5.051 -8.449 6.736 1.00 0.00 N ATOM 125 CA LEU A 11 -4.171 -9.372 6.049 1.00 0.00 C ATOM 126 C LEU A 11 -3.108 -8.462 5.457 1.00 0.00 C ATOM 127 O LEU A 11 -3.445 -7.606 4.641 1.00 0.00 O ATOM 128 CB LEU A 11 -4.899 -10.165 4.926 1.00 0.00 C ATOM 129 CG LEU A 11 -6.444 -10.264 4.930 1.00 0.00 C ATOM 130 CD1 LEU A 11 -6.941 -10.900 3.626 1.00 0.00 C ATOM 131 CD2 LEU A 11 -7.003 -11.104 6.084 1.00 0.00 C ATOM 0 H LEU A 11 -5.360 -7.688 6.131 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.776 -10.136 6.719 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.604 -9.724 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.508 -11.182 4.941 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.797 -9.239 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.029 -10.963 3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.626 -10.289 2.780 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.521 -11.901 3.526 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.091 -11.129 6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.613 -12.120 6.017 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.703 -10.662 7.034 1.00 0.00 H new ATOM 143 N ASP A 12 -1.849 -8.590 5.858 1.00 0.00 N ATOM 144 CA ASP A 12 -0.790 -7.912 5.131 1.00 0.00 C ATOM 145 C ASP A 12 -0.414 -8.710 3.898 1.00 0.00 C ATOM 146 O ASP A 12 -0.604 -9.929 3.833 1.00 0.00 O ATOM 147 CB ASP A 12 0.392 -7.540 6.031 1.00 0.00 C ATOM 148 CG ASP A 12 1.245 -8.685 6.576 1.00 0.00 C ATOM 149 OD1 ASP A 12 1.466 -9.703 5.882 1.00 0.00 O ATOM 150 OD2 ASP A 12 1.765 -8.508 7.700 1.00 0.00 O ATOM 0 H ASP A 12 -1.544 -9.141 6.660 1.00 0.00 H new ATOM 0 HA ASP A 12 -1.163 -6.950 4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 12 1.045 -6.870 5.471 1.00 0.00 H new ATOM 0 HB3 ASP A 12 0.006 -6.974 6.879 1.00 0.00 H new ATOM 155 N VAL A 13 0.089 -7.990 2.903 1.00 0.00 N ATOM 156 CA VAL A 13 0.664 -8.534 1.691 1.00 0.00 C ATOM 157 C VAL A 13 1.930 -7.725 1.439 1.00 0.00 C ATOM 158 O VAL A 13 1.857 -6.542 1.110 1.00 0.00 O ATOM 159 CB VAL A 13 -0.345 -8.462 0.526 1.00 0.00 C ATOM 160 CG1 VAL A 13 0.266 -9.173 -0.693 1.00 0.00 C ATOM 161 CG2 VAL A 13 -1.698 -9.097 0.880 1.00 0.00 C ATOM 0 H VAL A 13 0.105 -6.970 2.925 1.00 0.00 H new ATOM 0 HA VAL A 13 0.908 -9.592 1.783 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.539 -7.412 0.306 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.434 -9.132 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.195 -8.678 -0.975 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.471 -10.214 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.371 -9.020 0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.552 -10.147 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.133 -8.576 1.733 1.00 0.00 H new ATOM 171 N HIS A 14 3.096 -8.335 1.641 1.00 0.00 N ATOM 172 CA HIS A 14 4.374 -7.671 1.452 1.00 0.00 C ATOM 173 C HIS A 14 4.925 -8.000 0.067 1.00 0.00 C ATOM 174 O HIS A 14 5.382 -9.122 -0.164 1.00 0.00 O ATOM 175 CB HIS A 14 5.346 -8.067 2.567 1.00 0.00 C ATOM 176 CG HIS A 14 6.656 -7.345 2.417 1.00 0.00 C ATOM 177 ND1 HIS A 14 7.911 -7.903 2.457 1.00 0.00 N ATOM 178 CD2 HIS A 14 6.801 -6.016 2.137 1.00 0.00 C ATOM 179 CE1 HIS A 14 8.799 -6.927 2.213 1.00 0.00 C ATOM 180 NE2 HIS A 14 8.165 -5.763 2.000 1.00 0.00 N ATOM 0 H HIS A 14 3.176 -9.307 1.941 1.00 0.00 H new ATOM 0 HA HIS A 14 4.240 -6.591 1.509 1.00 0.00 H new ATOM 0 HB2 HIS A 14 4.907 -7.835 3.537 1.00 0.00 H new ATOM 0 HB3 HIS A 14 5.515 -9.144 2.543 1.00 0.00 H new ATOM 0 HD1 HIS A 14 8.128 -8.883 2.639 1.00 0.00 H new ATOM 0 HD2 HIS A 14 6.004 -5.293 2.040 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.871 -7.059 2.191 1.00 0.00 H new ATOM 188 N LEU A 15 4.890 -7.036 -0.855 1.00 0.00 N ATOM 189 CA LEU A 15 5.369 -7.231 -2.222 1.00 0.00 C ATOM 190 C LEU A 15 6.723 -6.571 -2.403 1.00 0.00 C ATOM 191 O LEU A 15 6.916 -5.400 -2.093 1.00 0.00 O ATOM 192 CB LEU A 15 4.389 -6.672 -3.260 1.00 0.00 C ATOM 193 CG LEU A 15 3.093 -7.479 -3.404 1.00 0.00 C ATOM 194 CD1 LEU A 15 2.200 -6.767 -4.429 1.00 0.00 C ATOM 195 CD2 LEU A 15 3.337 -8.929 -3.836 1.00 0.00 C ATOM 0 H LEU A 15 4.529 -6.099 -0.674 1.00 0.00 H new ATOM 0 HA LEU A 15 5.455 -8.306 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 15 4.137 -5.647 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.888 -6.632 -4.228 1.00 0.00 H new ATOM 0 HG LEU A 15 2.611 -7.529 -2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.270 -7.323 -4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.978 -5.759 -4.080 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.717 -6.713 -5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.383 -9.449 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.844 -8.941 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.959 -9.430 -3.094 1.00 0.00 H new ATOM 207 N ARG A 16 7.673 -7.322 -2.949 1.00 0.00 N ATOM 208 CA ARG A 16 9.047 -6.878 -3.153 1.00 0.00 C ATOM 209 C ARG A 16 9.194 -6.300 -4.563 1.00 0.00 C ATOM 210 O ARG A 16 8.527 -6.758 -5.497 1.00 0.00 O ATOM 211 CB ARG A 16 9.972 -8.084 -2.944 1.00 0.00 C ATOM 212 CG ARG A 16 9.988 -8.668 -1.518 1.00 0.00 C ATOM 213 CD ARG A 16 8.759 -9.540 -1.180 1.00 0.00 C ATOM 214 NE ARG A 16 8.982 -10.479 -0.063 1.00 0.00 N ATOM 215 CZ ARG A 16 9.137 -11.811 -0.136 1.00 0.00 C ATOM 216 NH1 ARG A 16 9.280 -12.437 -1.302 1.00 0.00 N ATOM 217 NH2 ARG A 16 9.154 -12.511 0.990 1.00 0.00 N ATOM 0 H ARG A 16 7.506 -8.276 -3.269 1.00 0.00 H new ATOM 0 HA ARG A 16 9.314 -6.094 -2.444 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.676 -8.871 -3.637 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.988 -7.791 -3.209 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.890 -9.266 -1.392 1.00 0.00 H new ATOM 0 HG3 ARG A 16 10.047 -7.848 -0.802 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.921 -8.889 -0.933 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.472 -10.106 -2.066 1.00 0.00 H new ATOM 0 HE ARG A 16 9.023 -10.070 0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.274 -11.904 -2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.396 -13.450 -1.326 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.051 -12.037 1.887 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.270 -13.524 0.959 1.00 0.00 H new ATOM 231 N ARG A 17 10.096 -5.335 -4.773 1.00 0.00 N ATOM 232 CA ARG A 17 10.375 -4.740 -6.080 1.00 0.00 C ATOM 233 C ARG A 17 11.856 -4.908 -6.403 1.00 0.00 C ATOM 234 O ARG A 17 12.637 -3.981 -6.174 1.00 0.00 O ATOM 235 CB ARG A 17 9.960 -3.261 -6.126 1.00 0.00 C ATOM 236 CG ARG A 17 10.162 -2.632 -7.508 1.00 0.00 C ATOM 237 CD ARG A 17 10.231 -1.114 -7.392 1.00 0.00 C ATOM 238 NE ARG A 17 10.712 -0.496 -8.632 1.00 0.00 N ATOM 239 CZ ARG A 17 10.061 -0.362 -9.791 1.00 0.00 C ATOM 240 NH1 ARG A 17 8.797 -0.758 -9.904 1.00 0.00 N ATOM 241 NH2 ARG A 17 10.681 0.173 -10.834 1.00 0.00 N ATOM 0 H ARG A 17 10.663 -4.939 -4.023 1.00 0.00 H new ATOM 0 HA ARG A 17 9.783 -5.257 -6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.911 -3.173 -5.841 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.538 -2.703 -5.389 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.080 -3.011 -7.957 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.343 -2.916 -8.168 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.243 -0.722 -7.150 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.892 -0.842 -6.569 1.00 0.00 H new ATOM 0 HE ARG A 17 11.661 -0.122 -8.606 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.317 -1.168 -9.102 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.307 -0.652 -10.792 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.650 0.480 -10.749 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.189 0.278 -11.721 1.00 0.00 H new ATOM 255 N MET A 18 12.250 -6.041 -6.977 1.00 0.00 N ATOM 256 CA MET A 18 13.587 -6.214 -7.561 1.00 0.00 C ATOM 257 C MET A 18 13.561 -7.038 -8.848 1.00 0.00 C ATOM 258 O MET A 18 14.608 -7.196 -9.475 1.00 0.00 O ATOM 259 CB MET A 18 14.563 -6.808 -6.526 1.00 0.00 C ATOM 260 CG MET A 18 15.195 -5.690 -5.688 1.00 0.00 C ATOM 261 SD MET A 18 16.375 -6.224 -4.435 1.00 0.00 S ATOM 262 CE MET A 18 17.804 -6.543 -5.501 1.00 0.00 C ATOM 0 H MET A 18 11.656 -6.867 -7.053 1.00 0.00 H new ATOM 0 HA MET A 18 13.948 -5.224 -7.839 1.00 0.00 H new ATOM 0 HB2 MET A 18 14.034 -7.505 -5.876 1.00 0.00 H new ATOM 0 HB3 MET A 18 15.342 -7.375 -7.035 1.00 0.00 H new ATOM 0 HG2 MET A 18 15.698 -4.996 -6.362 1.00 0.00 H new ATOM 0 HG3 MET A 18 14.397 -5.135 -5.196 1.00 0.00 H new ATOM 0 HE1 MET A 18 18.642 -6.886 -4.894 1.00 0.00 H new ATOM 0 HE2 MET A 18 17.548 -7.309 -6.233 1.00 0.00 H new ATOM 0 HE3 MET A 18 18.083 -5.626 -6.019 1.00 0.00 H new ATOM 272 N GLU A 19 12.397 -7.550 -9.258 1.00 0.00 N ATOM 273 CA GLU A 19 12.243 -8.335 -10.472 1.00 0.00 C ATOM 274 C GLU A 19 10.990 -7.825 -11.185 1.00 0.00 C ATOM 275 O GLU A 19 11.088 -6.897 -11.987 1.00 0.00 O ATOM 276 CB GLU A 19 12.220 -9.831 -10.121 1.00 0.00 C ATOM 277 CG GLU A 19 13.612 -10.376 -9.747 1.00 0.00 C ATOM 278 CD GLU A 19 13.564 -11.722 -9.029 1.00 0.00 C ATOM 279 OE1 GLU A 19 12.586 -12.490 -9.195 1.00 0.00 O ATOM 280 OE2 GLU A 19 14.462 -11.999 -8.199 1.00 0.00 O ATOM 0 H GLU A 19 11.525 -7.425 -8.743 1.00 0.00 H new ATOM 0 HA GLU A 19 13.081 -8.220 -11.159 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.535 -9.994 -9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.830 -10.393 -10.970 1.00 0.00 H new ATOM 0 HG2 GLU A 19 14.210 -10.477 -10.653 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.119 -9.651 -9.110 1.00 0.00 H new ATOM 287 N SER A 20 9.804 -8.359 -10.879 1.00 0.00 N ATOM 288 CA SER A 20 8.583 -7.930 -11.547 1.00 0.00 C ATOM 289 C SER A 20 8.041 -6.588 -11.054 1.00 0.00 C ATOM 290 O SER A 20 7.459 -5.858 -11.856 1.00 0.00 O ATOM 291 CB SER A 20 7.507 -8.992 -11.365 1.00 0.00 C ATOM 292 OG SER A 20 7.993 -10.252 -11.782 1.00 0.00 O ATOM 0 H SER A 20 9.669 -9.085 -10.176 1.00 0.00 H new ATOM 0 HA SER A 20 8.843 -7.797 -12.597 1.00 0.00 H new ATOM 0 HB2 SER A 20 7.204 -9.038 -10.319 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.621 -8.726 -11.942 1.00 0.00 H new ATOM 0 HG SER A 20 7.295 -10.929 -11.660 1.00 0.00 H new ATOM 298 N GLY A 21 8.235 -6.229 -9.785 1.00 0.00 N ATOM 299 CA GLY A 21 7.511 -5.110 -9.194 1.00 0.00 C ATOM 300 C GLY A 21 6.083 -5.517 -8.809 1.00 0.00 C ATOM 301 O GLY A 21 5.823 -6.694 -8.542 1.00 0.00 O ATOM 0 H GLY A 21 8.884 -6.696 -9.152 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.042 -4.755 -8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.478 -4.281 -9.900 1.00 0.00 H new ATOM 305 N PHE A 22 5.179 -4.538 -8.681 1.00 0.00 N ATOM 306 CA PHE A 22 3.907 -4.720 -7.984 1.00 0.00 C ATOM 307 C PHE A 22 2.736 -4.892 -8.958 1.00 0.00 C ATOM 308 O PHE A 22 2.164 -3.911 -9.447 1.00 0.00 O ATOM 309 CB PHE A 22 3.643 -3.616 -6.955 1.00 0.00 C ATOM 310 CG PHE A 22 4.829 -3.037 -6.207 1.00 0.00 C ATOM 311 CD1 PHE A 22 5.742 -3.876 -5.542 1.00 0.00 C ATOM 312 CD2 PHE A 22 4.973 -1.639 -6.112 1.00 0.00 C ATOM 313 CE1 PHE A 22 6.764 -3.318 -4.761 1.00 0.00 C ATOM 314 CE2 PHE A 22 5.990 -1.081 -5.319 1.00 0.00 C ATOM 315 CZ PHE A 22 6.880 -1.921 -4.631 1.00 0.00 C ATOM 0 H PHE A 22 5.312 -3.600 -9.058 1.00 0.00 H new ATOM 0 HA PHE A 22 3.991 -5.651 -7.424 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.140 -2.796 -7.468 1.00 0.00 H new ATOM 0 HB3 PHE A 22 2.943 -4.008 -6.217 1.00 0.00 H new ATOM 0 HD1 PHE A 22 5.656 -4.949 -5.633 1.00 0.00 H new ATOM 0 HD2 PHE A 22 4.298 -0.992 -6.652 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.467 -3.964 -4.256 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.087 -0.008 -5.239 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.651 -1.497 -4.004 1.00 0.00 H new ATOM 325 N GLY A 23 2.349 -6.140 -9.223 1.00 0.00 N ATOM 326 CA GLY A 23 1.327 -6.507 -10.192 1.00 0.00 C ATOM 327 C GLY A 23 -0.090 -6.391 -9.634 1.00 0.00 C ATOM 328 O GLY A 23 -0.814 -7.384 -9.605 1.00 0.00 O ATOM 0 H GLY A 23 2.755 -6.948 -8.750 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.420 -5.868 -11.070 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.499 -7.531 -10.524 1.00 0.00 H new ATOM 332 N PHE A 24 -0.516 -5.198 -9.223 1.00 0.00 N ATOM 333 CA PHE A 24 -1.896 -4.907 -8.828 1.00 0.00 C ATOM 334 C PHE A 24 -2.282 -3.515 -9.322 1.00 0.00 C ATOM 335 O PHE A 24 -1.406 -2.673 -9.548 1.00 0.00 O ATOM 336 CB PHE A 24 -2.042 -4.997 -7.304 1.00 0.00 C ATOM 337 CG PHE A 24 -1.368 -3.867 -6.547 1.00 0.00 C ATOM 338 CD1 PHE A 24 -2.075 -2.677 -6.277 1.00 0.00 C ATOM 339 CD2 PHE A 24 -0.031 -3.990 -6.123 1.00 0.00 C ATOM 340 CE1 PHE A 24 -1.476 -1.643 -5.550 1.00 0.00 C ATOM 341 CE2 PHE A 24 0.567 -2.942 -5.401 1.00 0.00 C ATOM 342 CZ PHE A 24 -0.167 -1.792 -5.090 1.00 0.00 C ATOM 0 H PHE A 24 0.101 -4.388 -9.153 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.563 -5.642 -9.278 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.102 -5.007 -7.052 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.625 -5.946 -6.966 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.088 -2.563 -6.635 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.532 -4.883 -6.351 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.023 -0.735 -5.346 1.00 0.00 H new ATOM 0 HE2 PHE A 24 1.597 -3.025 -5.085 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.283 -1.015 -4.490 1.00 0.00 H new ATOM 352 N ARG A 25 -3.583 -3.258 -9.450 1.00 0.00 N ATOM 353 CA ARG A 25 -4.170 -1.947 -9.719 1.00 0.00 C ATOM 354 C ARG A 25 -4.945 -1.509 -8.479 1.00 0.00 C ATOM 355 O ARG A 25 -5.216 -2.333 -7.610 1.00 0.00 O ATOM 356 CB ARG A 25 -5.068 -2.049 -10.969 1.00 0.00 C ATOM 357 CG ARG A 25 -4.853 -0.850 -11.896 1.00 0.00 C ATOM 358 CD ARG A 25 -5.689 -0.960 -13.169 1.00 0.00 C ATOM 359 NE ARG A 25 -5.311 0.082 -14.146 1.00 0.00 N ATOM 360 CZ ARG A 25 -5.945 0.365 -15.291 1.00 0.00 C ATOM 361 NH1 ARG A 25 -7.057 -0.285 -15.604 1.00 0.00 N ATOM 362 NH2 ARG A 25 -5.467 1.294 -16.112 1.00 0.00 N ATOM 0 H ARG A 25 -4.287 -3.991 -9.365 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.407 -1.197 -9.925 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.848 -2.972 -11.505 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.114 -2.097 -10.667 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.113 0.068 -11.369 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.798 -0.779 -12.159 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.552 -1.946 -13.613 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.747 -0.865 -12.922 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.486 0.641 -13.927 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.426 -0.997 -14.974 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.544 -0.073 -16.475 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.612 1.796 -15.872 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.955 1.505 -16.983 1.00 0.00 H new ATOM 376 N ILE A 26 -5.358 -0.247 -8.395 1.00 0.00 N ATOM 377 CA ILE A 26 -5.998 0.358 -7.224 1.00 0.00 C ATOM 378 C ILE A 26 -7.080 1.313 -7.746 1.00 0.00 C ATOM 379 O ILE A 26 -6.811 2.050 -8.694 1.00 0.00 O ATOM 380 CB ILE A 26 -4.938 1.040 -6.307 1.00 0.00 C ATOM 381 CG1 ILE A 26 -3.586 1.364 -6.993 1.00 0.00 C ATOM 382 CG2 ILE A 26 -4.668 0.116 -5.105 1.00 0.00 C ATOM 383 CD1 ILE A 26 -2.721 2.355 -6.209 1.00 0.00 C ATOM 0 H ILE A 26 -5.253 0.409 -9.169 1.00 0.00 H new ATOM 0 HA ILE A 26 -6.473 -0.389 -6.588 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.364 2.001 -6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.028 0.438 -7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.780 1.771 -7.985 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.928 0.577 -4.451 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.594 -0.041 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.291 -0.843 -5.461 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.791 2.534 -6.750 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.260 3.295 -6.093 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.495 1.942 -5.226 1.00 0.00 H new ATOM 395 N LEU A 27 -8.314 1.220 -7.224 1.00 0.00 N ATOM 396 CA LEU A 27 -9.522 1.936 -7.665 1.00 0.00 C ATOM 397 C LEU A 27 -10.362 2.294 -6.427 1.00 0.00 C ATOM 398 O LEU A 27 -9.956 2.006 -5.298 1.00 0.00 O ATOM 399 CB LEU A 27 -10.352 1.062 -8.635 1.00 0.00 C ATOM 400 CG LEU A 27 -9.597 0.588 -9.892 1.00 0.00 C ATOM 401 CD1 LEU A 27 -10.374 -0.500 -10.650 1.00 0.00 C ATOM 402 CD2 LEU A 27 -9.252 1.731 -10.844 1.00 0.00 C ATOM 0 H LEU A 27 -8.506 0.605 -6.434 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.232 2.844 -8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.712 0.187 -8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -11.230 1.627 -8.948 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.662 0.165 -9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.807 -0.806 -11.529 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.525 -1.360 -9.998 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.342 -0.106 -10.961 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -8.721 1.336 -11.710 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.169 2.220 -11.173 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -8.619 2.454 -10.330 1.00 0.00 H new ATOM 414 N GLY A 28 -11.528 2.923 -6.590 1.00 0.00 N ATOM 415 CA GLY A 28 -12.287 3.409 -5.442 1.00 0.00 C ATOM 416 C GLY A 28 -11.521 4.529 -4.733 1.00 0.00 C ATOM 417 O GLY A 28 -10.523 5.037 -5.254 1.00 0.00 O ATOM 0 H GLY A 28 -11.961 3.105 -7.495 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -13.260 3.776 -5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.473 2.590 -4.747 1.00 0.00 H new ATOM 421 N GLY A 29 -11.986 4.945 -3.552 1.00 0.00 N ATOM 422 CA GLY A 29 -11.427 6.117 -2.882 1.00 0.00 C ATOM 423 C GLY A 29 -11.602 7.375 -3.726 1.00 0.00 C ATOM 424 O GLY A 29 -10.710 8.219 -3.768 1.00 0.00 O ATOM 0 H GLY A 29 -12.744 4.489 -3.044 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.915 6.254 -1.917 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.368 5.954 -2.684 1.00 0.00 H new ATOM 428 N ASP A 30 -12.714 7.492 -4.449 1.00 0.00 N ATOM 429 CA ASP A 30 -12.959 8.650 -5.304 1.00 0.00 C ATOM 430 C ASP A 30 -13.155 9.918 -4.470 1.00 0.00 C ATOM 431 O ASP A 30 -12.691 10.995 -4.838 1.00 0.00 O ATOM 432 CB ASP A 30 -14.188 8.379 -6.166 1.00 0.00 C ATOM 433 CG ASP A 30 -14.403 9.420 -7.262 1.00 0.00 C ATOM 434 OD1 ASP A 30 -13.503 10.221 -7.582 1.00 0.00 O ATOM 435 OD2 ASP A 30 -15.513 9.422 -7.839 1.00 0.00 O ATOM 0 H ASP A 30 -13.461 6.797 -4.459 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.092 8.811 -5.944 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -14.091 7.395 -6.624 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -15.071 8.348 -5.527 1.00 0.00 H new ATOM 440 N GLU A 31 -13.779 9.770 -3.300 1.00 0.00 N ATOM 441 CA GLU A 31 -14.006 10.834 -2.333 1.00 0.00 C ATOM 442 C GLU A 31 -13.329 10.444 -1.019 1.00 0.00 C ATOM 443 O GLU A 31 -13.055 9.257 -0.806 1.00 0.00 O ATOM 444 CB GLU A 31 -15.513 11.041 -2.123 1.00 0.00 C ATOM 445 CG GLU A 31 -16.202 11.676 -3.333 1.00 0.00 C ATOM 446 CD GLU A 31 -15.804 13.136 -3.568 1.00 0.00 C ATOM 447 OE1 GLU A 31 -15.061 13.729 -2.758 1.00 0.00 O ATOM 448 OE2 GLU A 31 -16.277 13.717 -4.575 1.00 0.00 O ATOM 0 H GLU A 31 -14.152 8.872 -2.993 1.00 0.00 H new ATOM 0 HA GLU A 31 -13.585 11.771 -2.698 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -15.980 10.080 -1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -15.669 11.673 -1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -15.962 11.095 -4.224 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -17.282 11.620 -3.197 1.00 0.00 H new ATOM 455 N PRO A 32 -13.054 11.405 -0.123 1.00 0.00 N ATOM 456 CA PRO A 32 -12.289 11.200 1.096 1.00 0.00 C ATOM 457 C PRO A 32 -13.197 10.680 2.215 1.00 0.00 C ATOM 458 O PRO A 32 -13.321 11.283 3.281 1.00 0.00 O ATOM 459 CB PRO A 32 -11.646 12.563 1.372 1.00 0.00 C ATOM 460 CG PRO A 32 -12.693 13.549 0.864 1.00 0.00 C ATOM 461 CD PRO A 32 -13.417 12.806 -0.253 1.00 0.00 C ATOM 0 HA PRO A 32 -11.516 10.436 1.016 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.441 12.704 2.433 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -10.698 12.675 0.846 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.382 13.839 1.658 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -12.229 14.464 0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -14.496 12.936 -0.169 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -13.124 13.193 -1.229 1.00 0.00 H new ATOM 469 N GLY A 33 -13.841 9.545 1.957 1.00 0.00 N ATOM 470 CA GLY A 33 -14.673 8.824 2.895 1.00 0.00 C ATOM 471 C GLY A 33 -15.323 7.621 2.217 1.00 0.00 C ATOM 472 O GLY A 33 -16.520 7.401 2.391 1.00 0.00 O ATOM 0 H GLY A 33 -13.790 9.089 1.046 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -14.073 8.491 3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.443 9.486 3.291 1.00 0.00 H new ATOM 476 N GLN A 34 -14.574 6.876 1.401 1.00 0.00 N ATOM 477 CA GLN A 34 -15.031 5.754 0.587 1.00 0.00 C ATOM 478 C GLN A 34 -14.201 4.490 0.889 1.00 0.00 C ATOM 479 O GLN A 34 -13.152 4.582 1.530 1.00 0.00 O ATOM 480 CB GLN A 34 -14.861 6.172 -0.881 1.00 0.00 C ATOM 481 CG GLN A 34 -15.972 7.102 -1.402 1.00 0.00 C ATOM 482 CD GLN A 34 -16.971 6.408 -2.335 1.00 0.00 C ATOM 483 OE1 GLN A 34 -16.662 5.421 -2.989 1.00 0.00 O ATOM 484 NE2 GLN A 34 -18.180 6.928 -2.499 1.00 0.00 N ATOM 0 H GLN A 34 -13.576 7.052 1.286 1.00 0.00 H new ATOM 0 HA GLN A 34 -16.072 5.515 0.806 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.899 6.672 -0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -14.831 5.276 -1.502 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -16.512 7.519 -0.552 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -15.515 7.938 -1.931 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -18.458 7.751 -1.964 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -18.832 6.505 -3.160 1.00 0.00 H new ATOM 493 N PRO A 35 -14.632 3.307 0.416 1.00 0.00 N ATOM 494 CA PRO A 35 -13.807 2.113 0.416 1.00 0.00 C ATOM 495 C PRO A 35 -12.721 2.258 -0.654 1.00 0.00 C ATOM 496 O PRO A 35 -12.982 2.672 -1.787 1.00 0.00 O ATOM 497 CB PRO A 35 -14.751 0.945 0.115 1.00 0.00 C ATOM 498 CG PRO A 35 -16.047 1.573 -0.408 1.00 0.00 C ATOM 499 CD PRO A 35 -15.823 3.081 -0.383 1.00 0.00 C ATOM 0 HA PRO A 35 -13.301 1.948 1.368 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.317 0.273 -0.625 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.938 0.354 1.011 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.268 1.228 -1.418 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.896 1.294 0.217 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -15.693 3.471 -1.393 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.683 3.594 0.048 1.00 0.00 H new ATOM 507 N ILE A 36 -11.510 1.838 -0.301 1.00 0.00 N ATOM 508 CA ILE A 36 -10.388 1.692 -1.209 1.00 0.00 C ATOM 509 C ILE A 36 -10.205 0.198 -1.400 1.00 0.00 C ATOM 510 O ILE A 36 -9.687 -0.484 -0.519 1.00 0.00 O ATOM 511 CB ILE A 36 -9.150 2.469 -0.686 1.00 0.00 C ATOM 512 CG1 ILE A 36 -9.467 3.979 -0.759 1.00 0.00 C ATOM 513 CG2 ILE A 36 -7.871 2.169 -1.481 1.00 0.00 C ATOM 514 CD1 ILE A 36 -8.279 4.927 -0.548 1.00 0.00 C ATOM 0 H ILE A 36 -11.280 1.582 0.659 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.557 2.141 -2.188 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.957 2.149 0.338 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.907 4.191 -1.734 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.226 4.207 -0.011 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.042 2.743 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.644 1.105 -1.417 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.018 2.446 -2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -8.620 5.960 -0.621 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.848 4.756 0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.524 4.740 -1.311 1.00 0.00 H new ATOM 526 N LEU A 37 -10.723 -0.302 -2.514 1.00 0.00 N ATOM 527 CA LEU A 37 -10.638 -1.667 -3.005 1.00 0.00 C ATOM 528 C LEU A 37 -9.477 -1.783 -3.991 1.00 0.00 C ATOM 529 O LEU A 37 -9.294 -0.923 -4.851 1.00 0.00 O ATOM 530 CB LEU A 37 -11.967 -2.047 -3.694 1.00 0.00 C ATOM 531 CG LEU A 37 -13.230 -1.982 -2.812 1.00 0.00 C ATOM 532 CD1 LEU A 37 -14.368 -2.821 -3.402 1.00 0.00 C ATOM 533 CD2 LEU A 37 -12.950 -2.438 -1.380 1.00 0.00 C ATOM 0 H LEU A 37 -11.259 0.289 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 37 -10.462 -2.349 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.111 -1.387 -4.549 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.873 -3.060 -4.085 1.00 0.00 H new ATOM 0 HG LEU A 37 -13.536 -0.936 -2.788 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.243 -2.753 -2.756 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.620 -2.446 -4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -14.052 -3.862 -3.477 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.866 -2.377 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.593 -3.468 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.190 -1.795 -0.935 1.00 0.00 H new ATOM 545 N ILE A 38 -8.688 -2.851 -3.886 1.00 0.00 N ATOM 546 CA ILE A 38 -7.724 -3.267 -4.899 1.00 0.00 C ATOM 547 C ILE A 38 -8.452 -3.285 -6.250 1.00 0.00 C ATOM 548 O ILE A 38 -9.518 -3.880 -6.369 1.00 0.00 O ATOM 549 CB ILE A 38 -7.132 -4.645 -4.529 1.00 0.00 C ATOM 550 CG1 ILE A 38 -6.312 -4.583 -3.224 1.00 0.00 C ATOM 551 CG2 ILE A 38 -6.300 -5.273 -5.662 1.00 0.00 C ATOM 552 CD1 ILE A 38 -4.988 -3.825 -3.317 1.00 0.00 C ATOM 0 H ILE A 38 -8.703 -3.466 -3.072 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.884 -2.575 -4.959 1.00 0.00 H new ATOM 0 HB ILE A 38 -7.990 -5.298 -4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.924 -4.117 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.106 -5.602 -2.896 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -5.913 -6.239 -5.337 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.929 -5.411 -6.542 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.468 -4.614 -5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.491 -3.841 -2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.348 -4.300 -4.061 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.180 -2.793 -3.610 1.00 0.00 H new ATOM 564 N GLY A 39 -7.893 -2.608 -7.245 1.00 0.00 N ATOM 565 CA GLY A 39 -8.520 -2.385 -8.533 1.00 0.00 C ATOM 566 C GLY A 39 -8.651 -3.646 -9.381 1.00 0.00 C ATOM 567 O GLY A 39 -9.512 -3.682 -10.262 1.00 0.00 O ATOM 0 H GLY A 39 -6.966 -2.189 -7.172 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.511 -1.960 -8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.940 -1.646 -9.086 1.00 0.00 H new ATOM 571 N ALA A 40 -7.749 -4.608 -9.167 1.00 0.00 N ATOM 572 CA ALA A 40 -7.594 -5.918 -9.793 1.00 0.00 C ATOM 573 C ALA A 40 -6.147 -6.347 -9.541 1.00 0.00 C ATOM 574 O ALA A 40 -5.244 -5.537 -9.746 1.00 0.00 O ATOM 575 CB ALA A 40 -7.863 -5.860 -11.305 1.00 0.00 C ATOM 0 H ALA A 40 -7.023 -4.466 -8.464 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.310 -6.624 -9.372 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.738 -6.854 -11.735 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.882 -5.514 -11.480 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.160 -5.171 -11.773 1.00 0.00 H new ATOM 581 N VAL A 41 -5.884 -7.586 -9.098 1.00 0.00 N ATOM 582 CA VAL A 41 -4.551 -8.136 -9.116 1.00 0.00 C ATOM 583 C VAL A 41 -4.280 -8.701 -10.510 1.00 0.00 C ATOM 584 O VAL A 41 -5.210 -9.135 -11.192 1.00 0.00 O ATOM 585 CB VAL A 41 -4.359 -9.067 -7.924 1.00 0.00 C ATOM 586 CG1 VAL A 41 -4.992 -8.553 -6.629 1.00 0.00 C ATOM 587 CG2 VAL A 41 -4.676 -10.510 -8.213 1.00 0.00 C ATOM 0 H VAL A 41 -6.593 -8.217 -8.724 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.774 -7.386 -8.969 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.285 -9.050 -7.741 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.813 -9.269 -5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.549 -7.593 -6.363 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.065 -8.430 -6.773 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.514 -11.105 -7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.717 -10.599 -8.524 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.027 -10.873 -9.010 1.00 0.00 H new ATOM 597 N ILE A 42 -3.029 -8.670 -10.963 1.00 0.00 N ATOM 598 CA ILE A 42 -2.630 -9.296 -12.209 1.00 0.00 C ATOM 599 C ILE A 42 -2.422 -10.777 -11.884 1.00 0.00 C ATOM 600 O ILE A 42 -1.597 -11.098 -11.029 1.00 0.00 O ATOM 601 CB ILE A 42 -1.380 -8.584 -12.760 1.00 0.00 C ATOM 602 CG1 ILE A 42 -1.589 -7.053 -12.875 1.00 0.00 C ATOM 603 CG2 ILE A 42 -0.968 -9.175 -14.115 1.00 0.00 C ATOM 604 CD1 ILE A 42 -2.778 -6.581 -13.723 1.00 0.00 C ATOM 0 H ILE A 42 -2.265 -8.207 -10.470 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.375 -9.214 -13.000 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.573 -8.752 -12.046 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.707 -6.649 -11.869 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.681 -6.616 -13.290 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.083 -8.656 -14.484 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.744 -10.235 -13.997 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.784 -9.054 -14.828 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.815 -5.492 -13.724 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.661 -6.941 -14.745 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.704 -6.975 -13.303 1.00 0.00 H new ATOM 616 N ALA A 43 -3.204 -11.653 -12.525 1.00 0.00 N ATOM 617 CA ALA A 43 -3.154 -13.099 -12.336 1.00 0.00 C ATOM 618 C ALA A 43 -1.778 -13.619 -12.729 1.00 0.00 C ATOM 619 O ALA A 43 -1.112 -14.339 -11.998 1.00 0.00 O ATOM 620 CB ALA A 43 -4.226 -13.774 -13.204 1.00 0.00 C ATOM 0 H ALA A 43 -3.906 -11.364 -13.206 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.343 -13.330 -11.288 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.185 -14.854 -13.059 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.211 -13.407 -12.916 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.044 -13.541 -14.253 1.00 0.00 H new ATOM 626 N MET A 44 -1.326 -13.216 -13.910 1.00 0.00 N ATOM 627 CA MET A 44 -0.015 -13.559 -14.424 1.00 0.00 C ATOM 628 C MET A 44 0.978 -12.530 -13.882 1.00 0.00 C ATOM 629 O MET A 44 1.649 -11.841 -14.652 1.00 0.00 O ATOM 630 CB MET A 44 -0.114 -13.620 -15.953 1.00 0.00 C ATOM 631 CG MET A 44 -1.048 -14.765 -16.374 1.00 0.00 C ATOM 632 SD MET A 44 -0.258 -16.399 -16.373 1.00 0.00 S ATOM 633 CE MET A 44 -1.110 -17.194 -14.985 1.00 0.00 C ATOM 0 H MET A 44 -1.872 -12.633 -14.544 1.00 0.00 H new ATOM 0 HA MET A 44 0.344 -14.536 -14.100 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.490 -12.673 -16.339 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.876 -13.770 -16.384 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.906 -14.787 -15.701 1.00 0.00 H new ATOM 0 HG3 MET A 44 -1.432 -14.559 -17.373 1.00 0.00 H new ATOM 0 HE1 MET A 44 -0.732 -18.208 -14.859 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.931 -16.624 -14.073 1.00 0.00 H new ATOM 0 HE3 MET A 44 -2.181 -17.229 -15.187 1.00 0.00 H new ATOM 643 N GLY A 45 1.018 -12.361 -12.558 1.00 0.00 N ATOM 644 CA GLY A 45 1.766 -11.305 -11.904 1.00 0.00 C ATOM 645 C GLY A 45 2.040 -11.627 -10.441 1.00 0.00 C ATOM 646 O GLY A 45 1.341 -12.411 -9.800 1.00 0.00 O ATOM 0 H GLY A 45 0.521 -12.969 -11.907 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.711 -11.153 -12.426 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.210 -10.370 -11.972 1.00 0.00 H new ATOM 650 N SER A 46 3.063 -10.983 -9.892 1.00 0.00 N ATOM 651 CA SER A 46 3.594 -11.218 -8.559 1.00 0.00 C ATOM 652 C SER A 46 2.630 -10.929 -7.400 1.00 0.00 C ATOM 653 O SER A 46 3.006 -11.187 -6.264 1.00 0.00 O ATOM 654 CB SER A 46 4.911 -10.447 -8.424 1.00 0.00 C ATOM 655 OG SER A 46 5.908 -11.076 -9.199 1.00 0.00 O ATOM 0 H SER A 46 3.567 -10.249 -10.389 1.00 0.00 H new ATOM 0 HA SER A 46 3.762 -12.291 -8.466 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.776 -9.417 -8.753 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.217 -10.411 -7.379 1.00 0.00 H new ATOM 0 HG SER A 46 6.781 -10.682 -8.992 1.00 0.00 H new ATOM 661 N ALA A 47 1.438 -10.363 -7.621 1.00 0.00 N ATOM 662 CA ALA A 47 0.439 -10.222 -6.562 1.00 0.00 C ATOM 663 C ALA A 47 -0.293 -11.549 -6.353 1.00 0.00 C ATOM 664 O ALA A 47 -0.418 -12.007 -5.218 1.00 0.00 O ATOM 665 CB ALA A 47 -0.539 -9.106 -6.933 1.00 0.00 C ATOM 0 H ALA A 47 1.144 -9.996 -8.526 1.00 0.00 H new ATOM 0 HA ALA A 47 0.930 -9.958 -5.625 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.285 -8.999 -6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.005 -8.169 -7.047 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.035 -9.354 -7.871 1.00 0.00 H new ATOM 671 N ASP A 48 -0.745 -12.158 -7.453 1.00 0.00 N ATOM 672 CA ASP A 48 -1.361 -13.482 -7.477 1.00 0.00 C ATOM 673 C ASP A 48 -0.359 -14.514 -6.956 1.00 0.00 C ATOM 674 O ASP A 48 -0.641 -15.237 -6.001 1.00 0.00 O ATOM 675 CB ASP A 48 -1.768 -13.813 -8.916 1.00 0.00 C ATOM 676 CG ASP A 48 -2.116 -15.291 -9.104 1.00 0.00 C ATOM 677 OD1 ASP A 48 -1.198 -16.120 -9.287 1.00 0.00 O ATOM 678 OD2 ASP A 48 -3.322 -15.617 -9.031 1.00 0.00 O ATOM 0 H ASP A 48 -0.689 -11.729 -8.377 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.246 -13.499 -6.841 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.627 -13.203 -9.196 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.954 -13.547 -9.590 1.00 0.00 H new ATOM 683 N ARG A 49 0.845 -14.532 -7.547 1.00 0.00 N ATOM 684 CA ARG A 49 1.870 -15.555 -7.308 1.00 0.00 C ATOM 685 C ARG A 49 2.374 -15.567 -5.864 1.00 0.00 C ATOM 686 O ARG A 49 2.989 -16.550 -5.436 1.00 0.00 O ATOM 687 CB ARG A 49 3.064 -15.336 -8.254 1.00 0.00 C ATOM 688 CG ARG A 49 2.722 -15.471 -9.749 1.00 0.00 C ATOM 689 CD ARG A 49 3.724 -14.738 -10.656 1.00 0.00 C ATOM 690 NE ARG A 49 4.924 -15.517 -11.017 1.00 0.00 N ATOM 691 CZ ARG A 49 6.107 -15.544 -10.386 1.00 0.00 C ATOM 692 NH1 ARG A 49 6.238 -15.068 -9.156 1.00 0.00 N ATOM 693 NH2 ARG A 49 7.179 -16.046 -10.988 1.00 0.00 N ATOM 0 H ARG A 49 1.138 -13.821 -8.217 1.00 0.00 H new ATOM 0 HA ARG A 49 1.398 -16.519 -7.501 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.476 -14.343 -8.076 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.845 -16.054 -8.006 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.700 -16.527 -10.018 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.722 -15.076 -9.926 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.213 -14.442 -11.572 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.040 -13.822 -10.157 1.00 0.00 H new ATOM 0 HE ARG A 49 4.844 -16.106 -11.846 1.00 0.00 H new ATOM 0 HH11 ARG A 49 5.431 -14.673 -8.673 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.146 -15.097 -8.692 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.106 -16.414 -11.936 1.00 0.00 H new ATOM 0 HH22 ARG A 49 8.076 -16.063 -10.502 1.00 0.00 H new ATOM 707 N ASP A 50 2.163 -14.490 -5.110 1.00 0.00 N ATOM 708 CA ASP A 50 2.516 -14.403 -3.693 1.00 0.00 C ATOM 709 C ASP A 50 1.584 -15.287 -2.841 1.00 0.00 C ATOM 710 O ASP A 50 1.908 -15.634 -1.704 1.00 0.00 O ATOM 711 CB ASP A 50 2.534 -12.926 -3.250 1.00 0.00 C ATOM 712 CG ASP A 50 3.800 -12.605 -2.448 1.00 0.00 C ATOM 713 OD1 ASP A 50 3.844 -12.962 -1.251 1.00 0.00 O ATOM 714 OD2 ASP A 50 4.770 -12.069 -3.049 1.00 0.00 O ATOM 0 H ASP A 50 1.735 -13.638 -5.472 1.00 0.00 H new ATOM 0 HA ASP A 50 3.521 -14.794 -3.538 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.481 -12.280 -4.126 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.653 -12.714 -2.644 1.00 0.00 H new ATOM 719 N GLY A 51 0.430 -15.694 -3.389 1.00 0.00 N ATOM 720 CA GLY A 51 -0.567 -16.514 -2.704 1.00 0.00 C ATOM 721 C GLY A 51 -1.436 -15.687 -1.759 1.00 0.00 C ATOM 722 O GLY A 51 -2.032 -16.240 -0.831 1.00 0.00 O ATOM 0 H GLY A 51 0.162 -15.454 -4.343 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.201 -17.006 -3.442 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.065 -17.300 -2.140 1.00 0.00 H new ATOM 726 N ARG A 52 -1.454 -14.361 -1.951 1.00 0.00 N ATOM 727 CA ARG A 52 -1.901 -13.402 -0.951 1.00 0.00 C ATOM 728 C ARG A 52 -2.923 -12.417 -1.504 1.00 0.00 C ATOM 729 O ARG A 52 -4.072 -12.459 -1.068 1.00 0.00 O ATOM 730 CB ARG A 52 -0.694 -12.664 -0.354 1.00 0.00 C ATOM 731 CG ARG A 52 0.194 -13.514 0.576 1.00 0.00 C ATOM 732 CD ARG A 52 0.571 -12.749 1.855 1.00 0.00 C ATOM 733 NE ARG A 52 -0.610 -12.466 2.690 1.00 0.00 N ATOM 734 CZ ARG A 52 -1.313 -13.315 3.444 1.00 0.00 C ATOM 735 NH1 ARG A 52 -0.772 -14.443 3.890 1.00 0.00 N ATOM 736 NH2 ARG A 52 -2.567 -13.012 3.739 1.00 0.00 N ATOM 0 H ARG A 52 -1.152 -13.925 -2.822 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.405 -13.961 -0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.080 -12.283 -1.170 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.055 -11.800 0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.331 -14.432 0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.100 -13.807 0.046 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.291 -13.332 2.429 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.060 -11.812 1.588 1.00 0.00 H new ATOM 0 HE ARG A 52 -0.932 -11.498 2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.194 -14.672 3.658 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.323 -15.080 4.465 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.977 -12.145 3.392 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.123 -13.645 4.313 1.00 0.00 H new ATOM 750 N LEU A 53 -2.517 -11.486 -2.377 1.00 0.00 N ATOM 751 CA LEU A 53 -3.383 -10.368 -2.736 1.00 0.00 C ATOM 752 C LEU A 53 -4.524 -10.919 -3.574 1.00 0.00 C ATOM 753 O LEU A 53 -4.324 -11.820 -4.395 1.00 0.00 O ATOM 754 CB LEU A 53 -2.628 -9.301 -3.550 1.00 0.00 C ATOM 755 CG LEU A 53 -2.624 -7.862 -2.997 1.00 0.00 C ATOM 756 CD1 LEU A 53 -2.079 -6.930 -4.088 1.00 0.00 C ATOM 757 CD2 LEU A 53 -3.992 -7.340 -2.566 1.00 0.00 C ATOM 0 H LEU A 53 -1.608 -11.488 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.746 -9.892 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.593 -9.626 -3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.056 -9.276 -4.552 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.005 -7.880 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.067 -5.905 -3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.066 -7.232 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.717 -6.990 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.891 -6.321 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.670 -7.347 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.394 -7.978 -1.779 1.00 0.00 H new ATOM 769 N HIS A 54 -5.691 -10.315 -3.424 1.00 0.00 N ATOM 770 CA HIS A 54 -6.913 -10.731 -4.089 1.00 0.00 C ATOM 771 C HIS A 54 -7.643 -9.520 -4.683 1.00 0.00 C ATOM 772 O HIS A 54 -7.680 -8.439 -4.087 1.00 0.00 O ATOM 773 CB HIS A 54 -7.811 -11.488 -3.098 1.00 0.00 C ATOM 774 CG HIS A 54 -7.894 -12.969 -3.350 1.00 0.00 C ATOM 775 ND1 HIS A 54 -9.056 -13.691 -3.503 1.00 0.00 N ATOM 776 CD2 HIS A 54 -6.840 -13.837 -3.452 1.00 0.00 C ATOM 777 CE1 HIS A 54 -8.712 -14.975 -3.689 1.00 0.00 C ATOM 778 NE2 HIS A 54 -7.374 -15.101 -3.733 1.00 0.00 N ATOM 0 H HIS A 54 -5.817 -9.502 -2.821 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.662 -11.401 -4.911 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.438 -11.323 -2.087 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -8.815 -11.067 -3.140 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -5.794 -13.593 -3.337 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -9.411 -15.792 -3.789 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -6.849 -15.953 -3.932 1.00 0.00 H new ATOM 786 N PRO A 55 -8.268 -9.677 -5.861 1.00 0.00 N ATOM 787 CA PRO A 55 -9.285 -8.751 -6.312 1.00 0.00 C ATOM 788 C PRO A 55 -10.493 -8.927 -5.392 1.00 0.00 C ATOM 789 O PRO A 55 -10.889 -10.047 -5.070 1.00 0.00 O ATOM 790 CB PRO A 55 -9.582 -9.124 -7.765 1.00 0.00 C ATOM 791 CG PRO A 55 -9.070 -10.558 -7.928 1.00 0.00 C ATOM 792 CD PRO A 55 -8.276 -10.880 -6.671 1.00 0.00 C ATOM 0 HA PRO A 55 -8.989 -7.703 -6.273 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.649 -9.061 -7.977 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.080 -8.446 -8.455 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.900 -11.254 -8.052 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.444 -10.648 -8.816 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.731 -11.709 -6.128 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.260 -11.183 -6.923 1.00 0.00 H new ATOM 800 N GLY A 56 -11.087 -7.824 -4.961 1.00 0.00 N ATOM 801 CA GLY A 56 -12.081 -7.767 -3.902 1.00 0.00 C ATOM 802 C GLY A 56 -11.455 -7.444 -2.549 1.00 0.00 C ATOM 803 O GLY A 56 -12.215 -7.292 -1.589 1.00 0.00 O ATOM 0 H GLY A 56 -10.880 -6.907 -5.357 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.828 -7.011 -4.146 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.602 -8.722 -3.842 1.00 0.00 H new ATOM 807 N ASP A 57 -10.125 -7.316 -2.429 1.00 0.00 N ATOM 808 CA ASP A 57 -9.543 -6.912 -1.161 1.00 0.00 C ATOM 809 C ASP A 57 -9.754 -5.413 -0.994 1.00 0.00 C ATOM 810 O ASP A 57 -9.540 -4.628 -1.920 1.00 0.00 O ATOM 811 CB ASP A 57 -8.053 -7.257 -1.040 1.00 0.00 C ATOM 812 CG ASP A 57 -7.748 -8.745 -0.895 1.00 0.00 C ATOM 813 OD1 ASP A 57 -8.693 -9.535 -0.658 1.00 0.00 O ATOM 814 OD2 ASP A 57 -6.558 -9.110 -1.000 1.00 0.00 O ATOM 0 H ASP A 57 -9.455 -7.484 -3.179 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.043 -7.469 -0.369 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.535 -6.879 -1.921 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.642 -6.731 -0.178 1.00 0.00 H new ATOM 819 N GLU A 58 -10.193 -5.010 0.191 1.00 0.00 N ATOM 820 CA GLU A 58 -10.221 -3.652 0.693 1.00 0.00 C ATOM 821 C GLU A 58 -8.872 -3.369 1.346 1.00 0.00 C ATOM 822 O GLU A 58 -8.421 -4.172 2.158 1.00 0.00 O ATOM 823 CB GLU A 58 -11.349 -3.594 1.720 1.00 0.00 C ATOM 824 CG GLU A 58 -11.992 -2.215 1.903 1.00 0.00 C ATOM 825 CD GLU A 58 -13.392 -2.456 2.471 1.00 0.00 C ATOM 826 OE1 GLU A 58 -14.291 -2.872 1.708 1.00 0.00 O ATOM 827 OE2 GLU A 58 -13.547 -2.455 3.714 1.00 0.00 O ATOM 0 H GLU A 58 -10.564 -5.674 0.871 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.392 -2.912 -0.089 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -12.123 -4.303 1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.961 -3.927 2.682 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.400 -1.599 2.580 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -12.046 -1.684 0.953 1.00 0.00 H new ATOM 834 N LEU A 59 -8.217 -2.274 0.975 1.00 0.00 N ATOM 835 CA LEU A 59 -6.948 -1.801 1.521 1.00 0.00 C ATOM 836 C LEU A 59 -7.142 -1.113 2.876 1.00 0.00 C ATOM 837 O LEU A 59 -8.244 -0.678 3.221 1.00 0.00 O ATOM 838 CB LEU A 59 -6.289 -0.828 0.519 1.00 0.00 C ATOM 839 CG LEU A 59 -5.229 -1.502 -0.368 1.00 0.00 C ATOM 840 CD1 LEU A 59 -4.749 -0.557 -1.464 1.00 0.00 C ATOM 841 CD2 LEU A 59 -3.997 -1.911 0.450 1.00 0.00 C ATOM 0 H LEU A 59 -8.576 -1.658 0.245 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.299 -2.662 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.061 -0.391 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.826 -0.008 1.069 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.705 -2.381 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.000 -1.060 -2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.593 -0.267 -2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.310 0.332 -1.011 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.266 -2.385 -0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.554 -1.026 0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.294 -2.613 1.229 1.00 0.00 H new ATOM 853 N VAL A 60 -6.047 -0.962 3.615 1.00 0.00 N ATOM 854 CA VAL A 60 -5.948 -0.260 4.890 1.00 0.00 C ATOM 855 C VAL A 60 -4.697 0.610 4.873 1.00 0.00 C ATOM 856 O VAL A 60 -4.796 1.820 5.078 1.00 0.00 O ATOM 857 CB VAL A 60 -5.902 -1.237 6.087 1.00 0.00 C ATOM 858 CG1 VAL A 60 -6.168 -0.466 7.382 1.00 0.00 C ATOM 859 CG2 VAL A 60 -6.904 -2.388 5.962 1.00 0.00 C ATOM 0 H VAL A 60 -5.151 -1.350 3.321 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.838 0.357 5.016 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.907 -1.682 6.098 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.136 -1.153 8.228 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.406 0.303 7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.151 0.002 7.332 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.822 -3.038 6.833 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.915 -1.985 5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.689 -2.961 5.060 1.00 0.00 H new ATOM 869 N TYR A 61 -3.536 0.004 4.608 1.00 0.00 N ATOM 870 CA TYR A 61 -2.243 0.666 4.616 1.00 0.00 C ATOM 871 C TYR A 61 -1.518 0.360 3.324 1.00 0.00 C ATOM 872 O TYR A 61 -1.670 -0.733 2.778 1.00 0.00 O ATOM 873 CB TYR A 61 -1.373 0.189 5.780 1.00 0.00 C ATOM 874 CG TYR A 61 -1.843 0.573 7.163 1.00 0.00 C ATOM 875 CD1 TYR A 61 -2.723 -0.243 7.898 1.00 0.00 C ATOM 876 CD2 TYR A 61 -1.355 1.757 7.730 1.00 0.00 C ATOM 877 CE1 TYR A 61 -3.108 0.131 9.199 1.00 0.00 C ATOM 878 CE2 TYR A 61 -1.733 2.143 9.022 1.00 0.00 C ATOM 879 CZ TYR A 61 -2.595 1.319 9.775 1.00 0.00 C ATOM 880 OH TYR A 61 -2.910 1.685 11.045 1.00 0.00 O ATOM 0 H TYR A 61 -3.476 -0.988 4.377 1.00 0.00 H new ATOM 0 HA TYR A 61 -2.417 1.736 4.725 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -1.301 -0.898 5.732 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.366 0.582 5.639 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -3.103 -1.156 7.464 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.679 2.380 7.164 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.794 -0.488 9.758 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -1.366 3.068 9.440 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.462 2.529 11.263 1.00 0.00 H new ATOM 890 N VAL A 62 -0.698 1.309 2.886 1.00 0.00 N ATOM 891 CA VAL A 62 0.158 1.198 1.725 1.00 0.00 C ATOM 892 C VAL A 62 1.491 1.808 2.136 1.00 0.00 C ATOM 893 O VAL A 62 1.538 2.949 2.593 1.00 0.00 O ATOM 894 CB VAL A 62 -0.492 1.899 0.521 1.00 0.00 C ATOM 895 CG1 VAL A 62 0.420 1.857 -0.713 1.00 0.00 C ATOM 896 CG2 VAL A 62 -1.820 1.209 0.157 1.00 0.00 C ATOM 0 H VAL A 62 -0.613 2.211 3.354 1.00 0.00 H new ATOM 0 HA VAL A 62 0.311 0.167 1.405 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.664 2.936 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.071 2.361 -1.545 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.361 2.360 -0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.619 0.820 -0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.271 1.715 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.630 0.166 -0.097 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.500 1.257 1.007 1.00 0.00 H new ATOM 906 N ASP A 63 2.556 1.017 2.020 1.00 0.00 N ATOM 907 CA ASP A 63 3.931 1.354 2.392 1.00 0.00 C ATOM 908 C ASP A 63 4.085 1.768 3.866 1.00 0.00 C ATOM 909 O ASP A 63 5.078 2.381 4.248 1.00 0.00 O ATOM 910 CB ASP A 63 4.528 2.374 1.404 1.00 0.00 C ATOM 911 CG ASP A 63 6.061 2.372 1.395 1.00 0.00 C ATOM 912 OD1 ASP A 63 6.665 1.294 1.595 1.00 0.00 O ATOM 913 OD2 ASP A 63 6.650 3.438 1.093 1.00 0.00 O ATOM 0 H ASP A 63 2.480 0.072 1.644 1.00 0.00 H new ATOM 0 HA ASP A 63 4.520 0.440 2.311 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.164 2.155 0.400 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.173 3.372 1.662 1.00 0.00 H new ATOM 918 N GLY A 64 3.094 1.441 4.704 1.00 0.00 N ATOM 919 CA GLY A 64 3.037 1.744 6.130 1.00 0.00 C ATOM 920 C GLY A 64 2.068 2.881 6.470 1.00 0.00 C ATOM 921 O GLY A 64 1.764 3.087 7.644 1.00 0.00 O ATOM 0 H GLY A 64 2.270 0.932 4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.739 0.847 6.673 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.035 2.010 6.478 1.00 0.00 H new ATOM 925 N ILE A 65 1.555 3.624 5.483 1.00 0.00 N ATOM 926 CA ILE A 65 0.728 4.798 5.693 1.00 0.00 C ATOM 927 C ILE A 65 -0.731 4.388 5.457 1.00 0.00 C ATOM 928 O ILE A 65 -1.040 3.745 4.448 1.00 0.00 O ATOM 929 CB ILE A 65 1.194 5.882 4.702 1.00 0.00 C ATOM 930 CG1 ILE A 65 2.669 6.314 4.894 1.00 0.00 C ATOM 931 CG2 ILE A 65 0.333 7.144 4.833 1.00 0.00 C ATOM 932 CD1 ILE A 65 3.736 5.354 4.361 1.00 0.00 C ATOM 0 H ILE A 65 1.712 3.414 4.497 1.00 0.00 H new ATOM 0 HA ILE A 65 0.813 5.198 6.703 1.00 0.00 H new ATOM 0 HB ILE A 65 1.092 5.423 3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.807 7.281 4.410 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.845 6.463 5.959 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.680 7.896 4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.708 6.898 4.621 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.414 7.536 5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.726 5.767 4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.641 4.390 4.861 1.00 0.00 H new ATOM 0 HD13 ILE A 65 3.602 5.221 3.287 1.00 0.00 H new ATOM 944 N PRO A 66 -1.641 4.719 6.386 1.00 0.00 N ATOM 945 CA PRO A 66 -3.038 4.352 6.296 1.00 0.00 C ATOM 946 C PRO A 66 -3.688 5.211 5.221 1.00 0.00 C ATOM 947 O PRO A 66 -3.607 6.442 5.251 1.00 0.00 O ATOM 948 CB PRO A 66 -3.636 4.575 7.684 1.00 0.00 C ATOM 949 CG PRO A 66 -2.701 5.597 8.318 1.00 0.00 C ATOM 950 CD PRO A 66 -1.381 5.484 7.586 1.00 0.00 C ATOM 0 HA PRO A 66 -3.196 3.312 6.011 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.658 4.949 7.625 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.668 3.650 8.260 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.109 6.604 8.229 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.573 5.398 9.382 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.988 6.471 7.340 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.634 4.990 8.207 1.00 0.00 H new ATOM 958 N VAL A 67 -4.329 4.548 4.263 1.00 0.00 N ATOM 959 CA VAL A 67 -5.019 5.196 3.150 1.00 0.00 C ATOM 960 C VAL A 67 -6.492 5.479 3.479 1.00 0.00 C ATOM 961 O VAL A 67 -7.197 6.086 2.675 1.00 0.00 O ATOM 962 CB VAL A 67 -4.858 4.351 1.866 1.00 0.00 C ATOM 963 CG1 VAL A 67 -3.373 4.172 1.510 1.00 0.00 C ATOM 964 CG2 VAL A 67 -5.509 2.959 1.934 1.00 0.00 C ATOM 0 H VAL A 67 -4.385 3.530 4.237 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.557 6.168 2.975 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.382 4.918 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.286 3.574 0.603 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.918 5.149 1.346 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.861 3.666 2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.348 2.435 0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.062 2.388 2.748 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.579 3.066 2.111 1.00 0.00 H new ATOM 974 N ALA A 68 -6.978 5.033 4.641 1.00 0.00 N ATOM 975 CA ALA A 68 -8.398 5.036 4.963 1.00 0.00 C ATOM 976 C ALA A 68 -8.935 6.472 4.989 1.00 0.00 C ATOM 977 O ALA A 68 -8.389 7.328 5.693 1.00 0.00 O ATOM 978 CB ALA A 68 -8.616 4.306 6.290 1.00 0.00 C ATOM 0 H ALA A 68 -6.390 4.659 5.385 1.00 0.00 H new ATOM 0 HA ALA A 68 -8.958 4.505 4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -9.678 4.306 6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.264 3.278 6.202 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.062 4.813 7.080 1.00 0.00 H new ATOM 984 N GLY A 69 -9.983 6.743 4.207 1.00 0.00 N ATOM 985 CA GLY A 69 -10.622 8.053 4.116 1.00 0.00 C ATOM 986 C GLY A 69 -9.859 9.058 3.249 1.00 0.00 C ATOM 987 O GLY A 69 -10.279 10.206 3.134 1.00 0.00 O ATOM 0 H GLY A 69 -10.418 6.041 3.608 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.627 7.929 3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.731 8.463 5.120 1.00 0.00 H new ATOM 991 N LYS A 70 -8.730 8.684 2.645 1.00 0.00 N ATOM 992 CA LYS A 70 -8.022 9.512 1.672 1.00 0.00 C ATOM 993 C LYS A 70 -8.581 9.225 0.288 1.00 0.00 C ATOM 994 O LYS A 70 -9.369 8.291 0.129 1.00 0.00 O ATOM 995 CB LYS A 70 -6.532 9.197 1.760 1.00 0.00 C ATOM 996 CG LYS A 70 -6.039 9.287 3.208 1.00 0.00 C ATOM 997 CD LYS A 70 -6.187 10.697 3.801 1.00 0.00 C ATOM 998 CE LYS A 70 -5.322 10.805 5.058 1.00 0.00 C ATOM 999 NZ LYS A 70 -5.906 11.670 6.101 1.00 0.00 N ATOM 0 H LYS A 70 -8.278 7.787 2.821 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.159 10.574 1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.344 8.197 1.369 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.971 9.894 1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -6.597 8.579 3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.992 8.988 3.250 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -5.883 11.446 3.070 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.231 10.895 4.045 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.166 9.808 5.469 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.341 11.193 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -5.270 11.699 6.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.030 12.632 5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.830 11.290 6.391 1.00 0.00 H new ATOM 1013 N THR A 71 -8.188 10.003 -0.715 1.00 0.00 N ATOM 1014 CA THR A 71 -8.584 9.693 -2.084 1.00 0.00 C ATOM 1015 C THR A 71 -7.543 8.790 -2.753 1.00 0.00 C ATOM 1016 O THR A 71 -6.431 8.652 -2.246 1.00 0.00 O ATOM 1017 CB THR A 71 -8.885 10.965 -2.888 1.00 0.00 C ATOM 1018 OG1 THR A 71 -7.813 11.889 -2.885 1.00 0.00 O ATOM 1019 CG2 THR A 71 -10.128 11.683 -2.357 1.00 0.00 C ATOM 0 H THR A 71 -7.608 10.836 -0.611 1.00 0.00 H new ATOM 0 HA THR A 71 -9.519 9.133 -2.057 1.00 0.00 H new ATOM 0 HB THR A 71 -9.051 10.622 -3.909 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.059 12.677 -3.413 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.312 12.579 -2.950 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.990 11.019 -2.427 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.969 11.963 -1.316 1.00 0.00 H new ATOM 1027 N HIS A 72 -7.867 8.227 -3.920 1.00 0.00 N ATOM 1028 CA HIS A 72 -6.981 7.426 -4.767 1.00 0.00 C ATOM 1029 C HIS A 72 -5.599 8.072 -4.904 1.00 0.00 C ATOM 1030 O HIS A 72 -4.583 7.421 -4.678 1.00 0.00 O ATOM 1031 CB HIS A 72 -7.679 7.243 -6.125 1.00 0.00 C ATOM 1032 CG HIS A 72 -6.850 6.645 -7.241 1.00 0.00 C ATOM 1033 ND1 HIS A 72 -6.209 7.345 -8.241 1.00 0.00 N ATOM 1034 CD2 HIS A 72 -6.729 5.313 -7.541 1.00 0.00 C ATOM 1035 CE1 HIS A 72 -5.740 6.453 -9.130 1.00 0.00 C ATOM 1036 NE2 HIS A 72 -6.046 5.203 -8.755 1.00 0.00 N ATOM 0 H HIS A 72 -8.801 8.323 -4.319 1.00 0.00 H new ATOM 0 HA HIS A 72 -6.801 6.451 -4.315 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.554 6.611 -5.975 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -8.042 8.216 -6.455 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -7.097 4.492 -6.944 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -5.191 6.708 -10.025 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -5.824 4.343 -9.256 1.00 0.00 H new ATOM 1044 N ARG A 73 -5.551 9.375 -5.201 1.00 0.00 N ATOM 1045 CA ARG A 73 -4.314 10.143 -5.383 1.00 0.00 C ATOM 1046 C ARG A 73 -3.344 10.014 -4.215 1.00 0.00 C ATOM 1047 O ARG A 73 -2.139 9.945 -4.440 1.00 0.00 O ATOM 1048 CB ARG A 73 -4.670 11.623 -5.578 1.00 0.00 C ATOM 1049 CG ARG A 73 -5.298 11.882 -6.947 1.00 0.00 C ATOM 1050 CD ARG A 73 -4.225 11.986 -8.038 1.00 0.00 C ATOM 1051 NE ARG A 73 -4.796 12.552 -9.264 1.00 0.00 N ATOM 1052 CZ ARG A 73 -4.117 13.005 -10.321 1.00 0.00 C ATOM 1053 NH1 ARG A 73 -2.799 12.869 -10.413 1.00 0.00 N ATOM 1054 NH2 ARG A 73 -4.773 13.608 -11.299 1.00 0.00 N ATOM 0 H ARG A 73 -6.392 9.939 -5.325 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.811 9.734 -6.259 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -5.362 11.936 -4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.771 12.230 -5.470 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.991 11.077 -7.190 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.879 12.804 -6.915 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.403 12.611 -7.690 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.810 10.999 -8.244 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.813 12.605 -9.315 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.280 12.409 -9.665 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.306 13.224 -11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.785 13.722 -11.240 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.267 13.959 -12.112 1.00 0.00 H new ATOM 1068 N TYR A 74 -3.862 9.947 -2.989 1.00 0.00 N ATOM 1069 CA TYR A 74 -3.062 9.716 -1.790 1.00 0.00 C ATOM 1070 C TYR A 74 -2.210 8.461 -1.985 1.00 0.00 C ATOM 1071 O TYR A 74 -1.002 8.485 -1.761 1.00 0.00 O ATOM 1072 CB TYR A 74 -3.985 9.591 -0.579 1.00 0.00 C ATOM 1073 CG TYR A 74 -3.324 9.450 0.777 1.00 0.00 C ATOM 1074 CD1 TYR A 74 -2.927 8.177 1.225 1.00 0.00 C ATOM 1075 CD2 TYR A 74 -3.251 10.550 1.652 1.00 0.00 C ATOM 1076 CE1 TYR A 74 -2.491 7.988 2.548 1.00 0.00 C ATOM 1077 CE2 TYR A 74 -2.797 10.372 2.970 1.00 0.00 C ATOM 1078 CZ TYR A 74 -2.478 9.081 3.441 1.00 0.00 C ATOM 1079 OH TYR A 74 -2.324 8.880 4.775 1.00 0.00 O ATOM 0 H TYR A 74 -4.859 10.053 -2.800 1.00 0.00 H new ATOM 0 HA TYR A 74 -2.390 10.556 -1.614 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -4.630 10.470 -0.552 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.631 8.726 -0.733 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.957 7.337 0.546 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.544 11.532 1.310 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.168 7.012 2.879 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -2.692 11.225 3.624 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.757 8.039 5.031 1.00 0.00 H new ATOM 1089 N VAL A 75 -2.845 7.370 -2.414 1.00 0.00 N ATOM 1090 CA VAL A 75 -2.222 6.079 -2.648 1.00 0.00 C ATOM 1091 C VAL A 75 -1.266 6.146 -3.841 1.00 0.00 C ATOM 1092 O VAL A 75 -0.213 5.528 -3.791 1.00 0.00 O ATOM 1093 CB VAL A 75 -3.308 5.007 -2.893 1.00 0.00 C ATOM 1094 CG1 VAL A 75 -2.666 3.636 -2.692 1.00 0.00 C ATOM 1095 CG2 VAL A 75 -4.528 5.143 -1.964 1.00 0.00 C ATOM 0 H VAL A 75 -3.845 7.367 -2.614 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.645 5.807 -1.764 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.683 5.138 -3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.411 2.858 -2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.846 3.511 -3.399 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.283 3.559 -1.675 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.249 4.358 -2.193 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.207 5.050 -0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.993 6.117 -2.114 1.00 0.00 H new ATOM 1105 N ILE A 76 -1.594 6.880 -4.904 1.00 0.00 N ATOM 1106 CA ILE A 76 -0.709 7.042 -6.059 1.00 0.00 C ATOM 1107 C ILE A 76 0.608 7.698 -5.618 1.00 0.00 C ATOM 1108 O ILE A 76 1.687 7.258 -6.022 1.00 0.00 O ATOM 1109 CB ILE A 76 -1.468 7.795 -7.182 1.00 0.00 C ATOM 1110 CG1 ILE A 76 -2.763 7.059 -7.614 1.00 0.00 C ATOM 1111 CG2 ILE A 76 -0.613 8.055 -8.431 1.00 0.00 C ATOM 1112 CD1 ILE A 76 -2.586 5.556 -7.861 1.00 0.00 C ATOM 0 H ILE A 76 -2.480 7.379 -4.989 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.425 6.078 -6.482 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.725 8.756 -6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -3.521 7.201 -6.844 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.143 7.522 -8.525 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.208 8.585 -9.175 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.252 8.660 -8.160 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.276 7.105 -8.846 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.540 5.121 -8.159 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.854 5.401 -8.653 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.238 5.076 -6.947 1.00 0.00 H new ATOM 1124 N ASP A 77 0.535 8.693 -4.732 1.00 0.00 N ATOM 1125 CA ASP A 77 1.711 9.304 -4.116 1.00 0.00 C ATOM 1126 C ASP A 77 2.488 8.277 -3.286 1.00 0.00 C ATOM 1127 O ASP A 77 3.721 8.277 -3.329 1.00 0.00 O ATOM 1128 CB ASP A 77 1.288 10.498 -3.242 1.00 0.00 C ATOM 1129 CG ASP A 77 1.677 11.841 -3.851 1.00 0.00 C ATOM 1130 OD1 ASP A 77 1.322 12.109 -5.022 1.00 0.00 O ATOM 1131 OD2 ASP A 77 2.262 12.702 -3.151 1.00 0.00 O ATOM 0 H ASP A 77 -0.348 9.099 -4.421 1.00 0.00 H new ATOM 0 HA ASP A 77 2.369 9.663 -4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.208 10.470 -3.094 1.00 0.00 H new ATOM 0 HB3 ASP A 77 1.747 10.403 -2.258 1.00 0.00 H new ATOM 1136 N LEU A 78 1.791 7.384 -2.568 1.00 0.00 N ATOM 1137 CA LEU A 78 2.439 6.313 -1.819 1.00 0.00 C ATOM 1138 C LEU A 78 3.170 5.373 -2.756 1.00 0.00 C ATOM 1139 O LEU A 78 4.346 5.120 -2.538 1.00 0.00 O ATOM 1140 CB LEU A 78 1.466 5.471 -0.975 1.00 0.00 C ATOM 1141 CG LEU A 78 1.194 5.896 0.466 1.00 0.00 C ATOM 1142 CD1 LEU A 78 2.444 6.376 1.203 1.00 0.00 C ATOM 1143 CD2 LEU A 78 0.139 6.968 0.653 1.00 0.00 C ATOM 0 H LEU A 78 0.774 7.388 -2.494 1.00 0.00 H new ATOM 0 HA LEU A 78 3.129 6.816 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.510 5.445 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.845 4.449 -0.953 1.00 0.00 H new ATOM 0 HG LEU A 78 0.818 4.965 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.179 6.662 2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.180 5.573 1.232 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.866 7.236 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.030 7.190 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.440 7.871 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.813 6.615 0.257 1.00 0.00 H new ATOM 1155 N MET A 79 2.504 4.824 -3.771 1.00 0.00 N ATOM 1156 CA MET A 79 3.121 3.883 -4.697 1.00 0.00 C ATOM 1157 C MET A 79 4.375 4.468 -5.331 1.00 0.00 C ATOM 1158 O MET A 79 5.361 3.748 -5.511 1.00 0.00 O ATOM 1159 CB MET A 79 2.124 3.458 -5.783 1.00 0.00 C ATOM 1160 CG MET A 79 0.931 2.691 -5.208 1.00 0.00 C ATOM 1161 SD MET A 79 1.322 1.378 -4.019 1.00 0.00 S ATOM 1162 CE MET A 79 2.427 0.336 -5.004 1.00 0.00 C ATOM 0 H MET A 79 1.523 5.020 -3.972 1.00 0.00 H new ATOM 0 HA MET A 79 3.413 3.002 -4.125 1.00 0.00 H new ATOM 0 HB2 MET A 79 1.765 4.342 -6.310 1.00 0.00 H new ATOM 0 HB3 MET A 79 2.634 2.835 -6.518 1.00 0.00 H new ATOM 0 HG2 MET A 79 0.266 3.405 -4.723 1.00 0.00 H new ATOM 0 HG3 MET A 79 0.376 2.250 -6.036 1.00 0.00 H new ATOM 0 HE1 MET A 79 2.442 -0.672 -4.589 1.00 0.00 H new ATOM 0 HE2 MET A 79 2.071 0.299 -6.034 1.00 0.00 H new ATOM 0 HE3 MET A 79 3.434 0.752 -4.983 1.00 0.00 H new ATOM 1172 N HIS A 80 4.361 5.770 -5.627 1.00 0.00 N ATOM 1173 CA HIS A 80 5.519 6.449 -6.155 1.00 0.00 C ATOM 1174 C HIS A 80 6.696 6.416 -5.177 1.00 0.00 C ATOM 1175 O HIS A 80 7.821 6.237 -5.645 1.00 0.00 O ATOM 1176 CB HIS A 80 5.137 7.874 -6.574 1.00 0.00 C ATOM 1177 CG HIS A 80 4.780 7.957 -8.036 1.00 0.00 C ATOM 1178 ND1 HIS A 80 5.625 7.672 -9.090 1.00 0.00 N ATOM 1179 CD2 HIS A 80 3.557 8.283 -8.555 1.00 0.00 C ATOM 1180 CE1 HIS A 80 4.927 7.838 -10.225 1.00 0.00 C ATOM 1181 NE2 HIS A 80 3.661 8.202 -9.949 1.00 0.00 N ATOM 0 H HIS A 80 3.545 6.370 -5.504 1.00 0.00 H new ATOM 0 HA HIS A 80 5.862 5.919 -7.043 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.292 8.214 -5.975 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.968 8.548 -6.365 1.00 0.00 H new ATOM 0 HD2 HIS A 80 2.675 8.553 -7.994 1.00 0.00 H new ATOM 0 HE1 HIS A 80 5.325 7.699 -11.219 1.00 0.00 H new ATOM 0 HE2 HIS A 80 2.920 8.384 -10.625 1.00 0.00 H new ATOM 1189 N HIS A 81 6.472 6.556 -3.865 1.00 0.00 N ATOM 1190 CA HIS A 81 7.487 6.363 -2.835 1.00 0.00 C ATOM 1191 C HIS A 81 7.865 4.889 -2.698 1.00 0.00 C ATOM 1192 O HIS A 81 9.049 4.565 -2.694 1.00 0.00 O ATOM 1193 CB HIS A 81 6.956 6.892 -1.493 1.00 0.00 C ATOM 1194 CG HIS A 81 7.378 8.305 -1.225 1.00 0.00 C ATOM 1195 ND1 HIS A 81 8.659 8.701 -0.925 1.00 0.00 N ATOM 1196 CD2 HIS A 81 6.590 9.421 -1.298 1.00 0.00 C ATOM 1197 CE1 HIS A 81 8.658 10.041 -0.853 1.00 0.00 C ATOM 1198 NE2 HIS A 81 7.424 10.530 -1.097 1.00 0.00 N ATOM 0 H HIS A 81 5.560 6.812 -3.487 1.00 0.00 H new ATOM 0 HA HIS A 81 8.382 6.914 -3.124 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.868 6.834 -1.489 1.00 0.00 H new ATOM 0 HB3 HIS A 81 7.312 6.251 -0.687 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.525 9.444 -1.477 1.00 0.00 H new ATOM 0 HE1 HIS A 81 9.525 10.645 -0.630 1.00 0.00 H new ATOM 0 HE2 HIS A 81 7.152 11.512 -1.129 1.00 0.00 H new ATOM 1206 N ALA A 82 6.880 3.997 -2.607 1.00 0.00 N ATOM 1207 CA ALA A 82 7.060 2.583 -2.321 1.00 0.00 C ATOM 1208 C ALA A 82 7.989 1.922 -3.341 1.00 0.00 C ATOM 1209 O ALA A 82 8.900 1.169 -2.993 1.00 0.00 O ATOM 1210 CB ALA A 82 5.696 1.899 -2.294 1.00 0.00 C ATOM 0 H ALA A 82 5.901 4.253 -2.736 1.00 0.00 H new ATOM 0 HA ALA A 82 7.533 2.476 -1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.825 0.838 -2.080 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.077 2.353 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.210 2.017 -3.263 1.00 0.00 H new ATOM 1216 N ALA A 83 7.823 2.259 -4.625 1.00 0.00 N ATOM 1217 CA ALA A 83 8.720 1.760 -5.654 1.00 0.00 C ATOM 1218 C ALA A 83 10.182 2.184 -5.435 1.00 0.00 C ATOM 1219 O ALA A 83 11.074 1.452 -5.851 1.00 0.00 O ATOM 1220 CB ALA A 83 8.214 2.151 -7.042 1.00 0.00 C ATOM 0 H ALA A 83 7.081 2.870 -4.967 1.00 0.00 H new ATOM 0 HA ALA A 83 8.717 0.672 -5.582 1.00 0.00 H new ATOM 0 HB1 ALA A 83 8.898 1.769 -7.800 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.223 1.726 -7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 83 8.160 3.237 -7.117 1.00 0.00 H new ATOM 1226 N ARG A 84 10.450 3.307 -4.763 1.00 0.00 N ATOM 1227 CA ARG A 84 11.807 3.721 -4.401 1.00 0.00 C ATOM 1228 C ARG A 84 12.254 3.052 -3.099 1.00 0.00 C ATOM 1229 O ARG A 84 13.415 2.640 -2.985 1.00 0.00 O ATOM 1230 CB ARG A 84 11.915 5.247 -4.290 1.00 0.00 C ATOM 1231 CG ARG A 84 11.217 6.024 -5.410 1.00 0.00 C ATOM 1232 CD ARG A 84 11.933 7.354 -5.638 1.00 0.00 C ATOM 1233 NE ARG A 84 11.144 8.310 -6.431 1.00 0.00 N ATOM 1234 CZ ARG A 84 11.634 9.465 -6.897 1.00 0.00 C ATOM 1235 NH1 ARG A 84 12.933 9.736 -6.860 1.00 0.00 N ATOM 1236 NH2 ARG A 84 10.826 10.385 -7.411 1.00 0.00 N ATOM 0 H ARG A 84 9.728 3.957 -4.454 1.00 0.00 H new ATOM 0 HA ARG A 84 12.474 3.396 -5.200 1.00 0.00 H new ATOM 0 HB2 ARG A 84 11.494 5.558 -3.334 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.970 5.523 -4.279 1.00 0.00 H new ATOM 0 HG2 ARG A 84 11.219 5.437 -6.328 1.00 0.00 H new ATOM 0 HG3 ARG A 84 10.174 6.202 -5.147 1.00 0.00 H new ATOM 0 HD2 ARG A 84 12.170 7.801 -4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 84 12.880 7.167 -6.144 1.00 0.00 H new ATOM 0 HE ARG A 84 10.172 8.080 -6.637 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.585 9.056 -6.469 1.00 0.00 H new ATOM 0 HH12 ARG A 84 13.279 10.624 -7.222 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.821 10.215 -7.453 1.00 0.00 H new ATOM 0 HH22 ARG A 84 11.210 11.262 -7.763 1.00 0.00 H new ATOM 1250 N ASN A 85 11.337 2.861 -2.137 1.00 0.00 N ATOM 1251 CA ASN A 85 11.585 2.015 -0.963 1.00 0.00 C ATOM 1252 C ASN A 85 12.057 0.636 -1.418 1.00 0.00 C ATOM 1253 O ASN A 85 12.921 0.049 -0.779 1.00 0.00 O ATOM 1254 CB ASN A 85 10.353 1.872 -0.034 1.00 0.00 C ATOM 1255 CG ASN A 85 10.451 2.697 1.247 1.00 0.00 C ATOM 1256 OD1 ASN A 85 11.537 2.898 1.784 1.00 0.00 O ATOM 1257 ND2 ASN A 85 9.350 3.212 1.764 1.00 0.00 N ATOM 0 H ASN A 85 10.410 3.286 -2.152 1.00 0.00 H new ATOM 0 HA ASN A 85 12.358 2.510 -0.375 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.460 2.172 -0.581 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.228 0.822 0.229 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.401 3.778 2.611 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.449 3.044 1.316 1.00 0.00 H new ATOM 1264 N GLY A 86 11.553 0.149 -2.558 1.00 0.00 N ATOM 1265 CA GLY A 86 11.988 -1.084 -3.197 1.00 0.00 C ATOM 1266 C GLY A 86 11.150 -2.284 -2.766 1.00 0.00 C ATOM 1267 O GLY A 86 11.477 -3.423 -3.102 1.00 0.00 O ATOM 0 H GLY A 86 10.809 0.621 -3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.928 -0.971 -4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.034 -1.268 -2.954 1.00 0.00 H new ATOM 1271 N GLN A 87 10.062 -2.043 -2.040 1.00 0.00 N ATOM 1272 CA GLN A 87 9.042 -2.994 -1.641 1.00 0.00 C ATOM 1273 C GLN A 87 7.789 -2.188 -1.267 1.00 0.00 C ATOM 1274 O GLN A 87 7.842 -0.955 -1.258 1.00 0.00 O ATOM 1275 CB GLN A 87 9.556 -3.871 -0.484 1.00 0.00 C ATOM 1276 CG GLN A 87 10.095 -3.126 0.756 1.00 0.00 C ATOM 1277 CD GLN A 87 11.540 -2.643 0.667 1.00 0.00 C ATOM 1278 OE1 GLN A 87 12.414 -3.263 0.055 1.00 0.00 O ATOM 1279 NE2 GLN A 87 11.848 -1.542 1.322 1.00 0.00 N ATOM 0 H GLN A 87 9.860 -1.106 -1.692 1.00 0.00 H new ATOM 0 HA GLN A 87 8.793 -3.681 -2.450 1.00 0.00 H new ATOM 0 HB2 GLN A 87 8.744 -4.524 -0.164 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.349 -4.513 -0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 87 9.455 -2.264 0.945 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.005 -3.785 1.620 1.00 0.00 H new ATOM 0 HE21 GLN A 87 11.125 -1.030 1.828 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.809 -1.202 1.323 1.00 0.00 H new ATOM 1288 N VAL A 88 6.665 -2.845 -0.999 1.00 0.00 N ATOM 1289 CA VAL A 88 5.457 -2.208 -0.508 1.00 0.00 C ATOM 1290 C VAL A 88 4.730 -3.202 0.391 1.00 0.00 C ATOM 1291 O VAL A 88 4.469 -4.342 0.007 1.00 0.00 O ATOM 1292 CB VAL A 88 4.606 -1.694 -1.696 1.00 0.00 C ATOM 1293 CG1 VAL A 88 4.017 -2.795 -2.590 1.00 0.00 C ATOM 1294 CG2 VAL A 88 3.483 -0.774 -1.205 1.00 0.00 C ATOM 0 H VAL A 88 6.571 -3.853 -1.121 1.00 0.00 H new ATOM 0 HA VAL A 88 5.682 -1.326 0.091 1.00 0.00 H new ATOM 0 HB VAL A 88 5.307 -1.140 -2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.438 -2.340 -3.394 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.826 -3.389 -3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.369 -3.439 -1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.899 -0.426 -2.057 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.835 -1.323 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.915 0.082 -0.687 1.00 0.00 H new ATOM 1304 N ASN A 89 4.398 -2.765 1.599 1.00 0.00 N ATOM 1305 CA ASN A 89 3.385 -3.419 2.408 1.00 0.00 C ATOM 1306 C ASN A 89 2.034 -2.936 1.913 1.00 0.00 C ATOM 1307 O ASN A 89 1.817 -1.717 1.821 1.00 0.00 O ATOM 1308 CB ASN A 89 3.606 -3.035 3.877 1.00 0.00 C ATOM 1309 CG ASN A 89 2.603 -3.707 4.816 1.00 0.00 C ATOM 1310 OD1 ASN A 89 1.398 -3.720 4.582 1.00 0.00 O ATOM 1311 ND2 ASN A 89 3.065 -4.295 5.901 1.00 0.00 N ATOM 0 H ASN A 89 4.823 -1.950 2.042 1.00 0.00 H new ATOM 0 HA ASN A 89 3.437 -4.505 2.329 1.00 0.00 H new ATOM 0 HB2 ASN A 89 4.618 -3.312 4.173 1.00 0.00 H new ATOM 0 HB3 ASN A 89 3.528 -1.953 3.982 1.00 0.00 H new ATOM 0 HD21 ASN A 89 2.422 -4.759 6.543 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.066 -4.286 6.099 1.00 0.00 H new ATOM 1318 N LEU A 90 1.121 -3.838 1.580 1.00 0.00 N ATOM 1319 CA LEU A 90 -0.273 -3.567 1.305 1.00 0.00 C ATOM 1320 C LEU A 90 -1.039 -4.309 2.386 1.00 0.00 C ATOM 1321 O LEU A 90 -1.228 -5.516 2.285 1.00 0.00 O ATOM 1322 CB LEU A 90 -0.676 -4.050 -0.102 1.00 0.00 C ATOM 1323 CG LEU A 90 0.234 -3.555 -1.226 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -0.083 -4.335 -2.498 1.00 0.00 C ATOM 1325 CD2 LEU A 90 0.063 -2.058 -1.472 1.00 0.00 C ATOM 0 H LEU A 90 1.350 -4.828 1.491 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.487 -2.498 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.683 -5.140 -0.110 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.696 -3.723 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 90 1.271 -3.720 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.561 -3.989 -3.307 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.089 -5.397 -2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.126 -4.176 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.726 -1.744 -2.278 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.970 -1.851 -1.751 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.311 -1.509 -0.563 1.00 0.00 H new ATOM 1337 N THR A 91 -1.429 -3.615 3.454 1.00 0.00 N ATOM 1338 CA THR A 91 -2.295 -4.225 4.446 1.00 0.00 C ATOM 1339 C THR A 91 -3.710 -4.064 3.919 1.00 0.00 C ATOM 1340 O THR A 91 -4.175 -2.936 3.762 1.00 0.00 O ATOM 1341 CB THR A 91 -2.080 -3.595 5.822 1.00 0.00 C ATOM 1342 OG1 THR A 91 -0.729 -3.746 6.218 1.00 0.00 O ATOM 1343 CG2 THR A 91 -2.937 -4.250 6.909 1.00 0.00 C ATOM 0 H THR A 91 -1.163 -2.650 3.648 1.00 0.00 H new ATOM 0 HA THR A 91 -2.076 -5.283 4.593 1.00 0.00 H new ATOM 0 HB THR A 91 -2.361 -2.547 5.723 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.141 -3.512 5.470 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.745 -3.764 7.866 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.991 -4.145 6.654 1.00 0.00 H new ATOM 0 HG23 THR A 91 -2.685 -5.308 6.982 1.00 0.00 H new ATOM 1351 N VAL A 92 -4.368 -5.173 3.609 1.00 0.00 N ATOM 1352 CA VAL A 92 -5.761 -5.251 3.208 1.00 0.00 C ATOM 1353 C VAL A 92 -6.579 -5.786 4.402 1.00 0.00 C ATOM 1354 O VAL A 92 -6.011 -6.201 5.413 1.00 0.00 O ATOM 1355 CB VAL A 92 -5.868 -6.105 1.918 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -5.054 -5.542 0.744 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -5.477 -7.572 2.116 1.00 0.00 C ATOM 0 H VAL A 92 -3.919 -6.088 3.633 1.00 0.00 H new ATOM 0 HA VAL A 92 -6.178 -4.276 2.956 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.929 -6.054 1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.174 -6.188 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.409 -4.540 0.503 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -4.000 -5.497 1.020 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.577 -8.106 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.444 -7.630 2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.132 -8.026 2.860 1.00 0.00 H new ATOM 1367 N ARG A 93 -7.914 -5.785 4.352 1.00 0.00 N ATOM 1368 CA ARG A 93 -8.752 -6.444 5.360 1.00 0.00 C ATOM 1369 C ARG A 93 -10.096 -6.879 4.801 1.00 0.00 C ATOM 1370 O ARG A 93 -10.632 -6.197 3.922 1.00 0.00 O ATOM 1371 CB ARG A 93 -8.962 -5.507 6.557 1.00 0.00 C ATOM 1372 CG ARG A 93 -9.889 -4.328 6.264 1.00 0.00 C ATOM 1373 CD ARG A 93 -10.034 -3.389 7.468 1.00 0.00 C ATOM 1374 NE ARG A 93 -10.075 -1.983 7.045 1.00 0.00 N ATOM 1375 CZ ARG A 93 -10.916 -1.474 6.141 1.00 0.00 C ATOM 1376 NH1 ARG A 93 -12.115 -2.016 5.977 1.00 0.00 N ATOM 1377 NH2 ARG A 93 -10.540 -0.446 5.395 1.00 0.00 N ATOM 0 H ARG A 93 -8.445 -5.327 3.611 1.00 0.00 H new ATOM 0 HA ARG A 93 -8.228 -7.344 5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.372 -6.081 7.388 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -7.994 -5.124 6.881 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.502 -3.767 5.413 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -10.872 -4.703 5.978 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.945 -3.633 8.015 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -9.200 -3.541 8.153 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.407 -1.344 7.476 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -12.393 -2.820 6.541 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -12.759 -1.629 5.287 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.610 -0.045 5.512 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -11.181 -0.056 4.704 1.00 0.00 H new ATOM 1391 N ARG A 94 -10.688 -7.942 5.347 1.00 0.00 N ATOM 1392 CA ARG A 94 -12.029 -8.407 4.975 1.00 0.00 C ATOM 1393 C ARG A 94 -12.771 -8.865 6.223 1.00 0.00 C ATOM 1394 O ARG A 94 -12.226 -9.630 7.027 1.00 0.00 O ATOM 1395 CB ARG A 94 -11.945 -9.530 3.919 1.00 0.00 C ATOM 1396 CG ARG A 94 -11.888 -8.997 2.471 1.00 0.00 C ATOM 1397 CD ARG A 94 -10.903 -9.760 1.568 1.00 0.00 C ATOM 1398 NE ARG A 94 -11.393 -11.091 1.157 1.00 0.00 N ATOM 1399 CZ ARG A 94 -11.455 -11.565 -0.097 1.00 0.00 C ATOM 1400 NH1 ARG A 94 -11.030 -10.858 -1.135 1.00 0.00 N ATOM 1401 NH2 ARG A 94 -11.947 -12.778 -0.321 1.00 0.00 N ATOM 0 H ARG A 94 -10.247 -8.512 6.068 1.00 0.00 H new ATOM 0 HA ARG A 94 -12.585 -7.585 4.525 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.060 -10.136 4.112 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -12.809 -10.185 4.025 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -12.885 -9.052 2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -11.607 -7.944 2.492 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -10.702 -9.164 0.678 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.955 -9.877 2.094 1.00 0.00 H new ATOM 0 HE ARG A 94 -11.716 -11.711 1.899 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -10.642 -9.925 -0.992 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -11.091 -11.247 -2.076 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.277 -13.347 0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -11.995 -13.141 -1.273 1.00 0.00 H new ATOM 1415 N LYS A 95 -13.994 -8.369 6.404 1.00 0.00 N ATOM 1416 CA LYS A 95 -14.975 -8.806 7.392 1.00 0.00 C ATOM 1417 C LYS A 95 -15.338 -10.272 7.198 1.00 0.00 C ATOM 1418 O LYS A 95 -15.576 -10.743 6.077 1.00 0.00 O ATOM 1419 CB LYS A 95 -16.193 -7.864 7.359 1.00 0.00 C ATOM 1420 CG LYS A 95 -16.781 -7.552 8.747 1.00 0.00 C ATOM 1421 CD LYS A 95 -18.108 -8.256 9.055 1.00 0.00 C ATOM 1422 CE LYS A 95 -19.265 -7.454 8.443 1.00 0.00 C ATOM 1423 NZ LYS A 95 -20.587 -7.927 8.897 1.00 0.00 N ATOM 0 H LYS A 95 -14.346 -7.604 5.828 1.00 0.00 H new ATOM 0 HA LYS A 95 -14.543 -8.744 8.391 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -15.903 -6.929 6.880 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -16.969 -8.312 6.739 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -16.052 -7.833 9.507 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -16.929 -6.475 8.830 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -18.098 -9.268 8.650 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -18.243 -8.346 10.133 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -19.151 -6.402 8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -19.213 -7.520 7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -21.332 -7.352 8.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -20.711 -8.923 8.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -20.651 -7.839 9.931 1.00 0.00 H new