USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 425 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 10 CYS SG : rot -31:sc= -5.07! USER MOD Single : A 11 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.9!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot -71:sc= -1.83! USER MOD Single : A 19 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.14) USER MOD Single : A 20 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.03) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -4.67! C(o=-4.7!,f=-1.9!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 77:sc= -5.71! USER MOD Single : A 53 MET CE :methyl -163:sc= -1.14 (180deg=-2.12!) USER MOD Single : A 56 SER OG : rot 18:sc= 1.12 USER MOD Single : A 57 ASN : amide:sc= -0.328 K(o=-0.33,f=-2.1!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -7.002 -6.396 0.533 1.00 0.00 N ATOM 67 CA ARG A 8 -6.609 -6.338 1.930 1.00 0.00 C ATOM 68 C ARG A 8 -6.161 -4.922 2.297 1.00 0.00 C ATOM 69 O ARG A 8 -6.020 -4.066 1.425 1.00 0.00 O ATOM 70 CB ARG A 8 -5.471 -7.318 2.223 1.00 0.00 C ATOM 71 CG ARG A 8 -4.156 -6.829 1.613 1.00 0.00 C ATOM 72 CD ARG A 8 -2.981 -7.691 2.081 1.00 0.00 C ATOM 73 NE ARG A 8 -2.747 -8.791 1.119 1.00 0.00 N ATOM 74 CZ ARG A 8 -1.794 -9.723 1.261 1.00 0.00 C ATOM 75 NH1 ARG A 8 -0.981 -9.693 2.325 1.00 0.00 N ATOM 76 NH2 ARG A 8 -1.654 -10.684 0.338 1.00 0.00 N ATOM 0 HA ARG A 8 -7.476 -6.615 2.530 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.355 -7.435 3.301 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.720 -8.300 1.821 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.222 -6.858 0.525 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.984 -5.790 1.894 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.084 -7.079 2.172 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.190 -8.100 3.070 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.348 -8.843 0.297 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.087 -8.961 3.027 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.256 -10.402 2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.273 -10.706 -0.473 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -0.929 -11.393 0.446 1.00 0.00 H new ATOM 90 N ARG A 9 -5.950 -4.719 3.589 1.00 0.00 N ATOM 91 CA ARG A 9 -5.520 -3.421 4.082 1.00 0.00 C ATOM 92 C ARG A 9 -4.112 -3.517 4.672 1.00 0.00 C ATOM 93 O ARG A 9 -3.770 -4.509 5.314 1.00 0.00 O ATOM 94 CB ARG A 9 -6.479 -2.893 5.152 1.00 0.00 C ATOM 95 CG ARG A 9 -7.586 -2.043 4.524 1.00 0.00 C ATOM 96 CD ARG A 9 -8.785 -1.922 5.467 1.00 0.00 C ATOM 97 NE ARG A 9 -9.420 -3.246 5.652 1.00 0.00 N ATOM 98 CZ ARG A 9 -10.622 -3.430 6.214 1.00 0.00 C ATOM 99 NH1 ARG A 9 -11.326 -2.377 6.651 1.00 0.00 N ATOM 100 NH2 ARG A 9 -11.120 -4.668 6.340 1.00 0.00 N ATOM 0 H ARG A 9 -6.069 -5.431 4.310 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.518 -2.730 3.239 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.921 -3.729 5.694 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.927 -2.298 5.879 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.200 -1.051 4.291 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.903 -2.490 3.582 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.462 -1.527 6.430 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.509 -1.216 5.059 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.911 -4.070 5.332 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.947 -1.435 6.556 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.241 -2.517 7.079 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.584 -5.470 6.008 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.035 -4.808 6.768 1.00 0.00 H new ATOM 114 N CYS A 10 -3.333 -2.472 4.433 1.00 0.00 N ATOM 115 CA CYS A 10 -1.969 -2.426 4.933 1.00 0.00 C ATOM 116 C CYS A 10 -1.616 -0.968 5.233 1.00 0.00 C ATOM 117 O CYS A 10 -2.060 -0.061 4.530 1.00 0.00 O ATOM 118 CB CYS A 10 -0.984 -3.061 3.949 1.00 0.00 C ATOM 119 SG CYS A 10 -1.740 -4.534 3.170 1.00 0.00 S ATOM 0 H CYS A 10 -3.620 -1.651 3.900 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.895 -3.012 5.849 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.705 -2.337 3.183 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.069 -3.344 4.469 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.564 -5.093 4.006 1.00 0.00 H new ATOM 125 N GLN A 11 -0.821 -0.787 6.277 1.00 0.00 N ATOM 126 CA GLN A 11 -0.404 0.545 6.678 1.00 0.00 C ATOM 127 C GLN A 11 0.996 0.848 6.140 1.00 0.00 C ATOM 128 O GLN A 11 1.723 -0.062 5.746 1.00 0.00 O ATOM 129 CB GLN A 11 -0.451 0.700 8.200 1.00 0.00 C ATOM 130 CG GLN A 11 -0.826 2.130 8.594 1.00 0.00 C ATOM 131 CD GLN A 11 -1.843 2.135 9.737 1.00 0.00 C ATOM 132 OE1 GLN A 11 -2.277 1.102 10.221 1.00 0.00 O ATOM 133 NE2 GLN A 11 -2.200 3.352 10.139 1.00 0.00 N ATOM 0 H GLN A 11 -0.455 -1.541 6.858 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.101 1.266 6.250 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.176 0.002 8.618 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.519 0.444 8.625 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.069 2.674 8.896 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.240 2.652 7.731 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.798 4.175 9.691 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.875 3.462 10.895 1.00 0.00 H new ATOM 142 N VAL A 12 1.331 2.130 6.141 1.00 0.00 N ATOM 143 CA VAL A 12 2.631 2.563 5.657 1.00 0.00 C ATOM 144 C VAL A 12 3.538 2.872 6.850 1.00 0.00 C ATOM 145 O VAL A 12 3.270 3.797 7.616 1.00 0.00 O ATOM 146 CB VAL A 12 2.466 3.753 4.709 1.00 0.00 C ATOM 147 CG1 VAL A 12 3.805 4.454 4.472 1.00 0.00 C ATOM 148 CG2 VAL A 12 1.834 3.316 3.386 1.00 0.00 C ATOM 0 H VAL A 12 0.725 2.882 6.469 1.00 0.00 H new ATOM 0 HA VAL A 12 3.108 1.769 5.082 1.00 0.00 H new ATOM 0 HB VAL A 12 1.793 4.468 5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.660 5.296 3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.199 4.816 5.422 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.511 3.751 4.030 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.728 4.180 2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.471 2.573 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.852 2.883 3.577 1.00 0.00 H new ATOM 158 N ALA A 13 4.592 2.079 6.972 1.00 0.00 N ATOM 159 CA ALA A 13 5.540 2.255 8.059 1.00 0.00 C ATOM 160 C ALA A 13 6.644 3.218 7.617 1.00 0.00 C ATOM 161 O ALA A 13 7.381 3.747 8.447 1.00 0.00 O ATOM 162 CB ALA A 13 6.090 0.892 8.483 1.00 0.00 C ATOM 0 H ALA A 13 4.811 1.312 6.336 1.00 0.00 H new ATOM 0 HA ALA A 13 5.050 2.693 8.928 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.801 1.024 9.298 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.270 0.256 8.816 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.592 0.423 7.637 1.00 0.00 H new ATOM 168 N PHE A 14 6.723 3.415 6.309 1.00 0.00 N ATOM 169 CA PHE A 14 7.725 4.305 5.746 1.00 0.00 C ATOM 170 C PHE A 14 7.154 5.099 4.570 1.00 0.00 C ATOM 171 O PHE A 14 6.673 4.517 3.598 1.00 0.00 O ATOM 172 CB PHE A 14 8.872 3.426 5.243 1.00 0.00 C ATOM 173 CG PHE A 14 9.218 2.261 6.174 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.414 1.165 6.218 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.328 2.323 6.957 1.00 0.00 C ATOM 176 CE1 PHE A 14 8.735 0.084 7.082 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.649 1.243 7.821 1.00 0.00 C ATOM 178 CZ PHE A 14 9.845 0.146 7.865 1.00 0.00 C ATOM 0 H PHE A 14 6.110 2.974 5.623 1.00 0.00 H new ATOM 0 HA PHE A 14 8.058 5.016 6.502 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.609 3.029 4.263 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.759 4.045 5.108 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.532 1.116 5.597 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.966 3.194 6.922 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.097 -0.787 7.117 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.531 1.292 8.443 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.089 -0.676 8.522 1.00 0.00 H new ATOM 188 N SER A 15 7.226 6.416 4.696 1.00 0.00 N ATOM 189 CA SER A 15 6.722 7.296 3.655 1.00 0.00 C ATOM 190 C SER A 15 7.540 7.115 2.375 1.00 0.00 C ATOM 191 O SER A 15 8.764 7.002 2.427 1.00 0.00 O ATOM 192 CB SER A 15 6.757 8.758 4.106 1.00 0.00 C ATOM 193 OG SER A 15 8.076 9.182 4.439 1.00 0.00 O ATOM 0 H SER A 15 7.626 6.895 5.503 1.00 0.00 H new ATOM 0 HA SER A 15 5.684 7.030 3.455 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.362 9.392 3.312 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.106 8.887 4.970 1.00 0.00 H new ATOM 0 HG SER A 15 8.057 10.121 4.720 1.00 0.00 H new ATOM 199 N TYR A 16 6.832 7.094 1.256 1.00 0.00 N ATOM 200 CA TYR A 16 7.477 6.928 -0.035 1.00 0.00 C ATOM 201 C TYR A 16 6.996 7.988 -1.028 1.00 0.00 C ATOM 202 O TYR A 16 5.795 8.138 -1.248 1.00 0.00 O ATOM 203 CB TYR A 16 7.060 5.546 -0.541 1.00 0.00 C ATOM 204 CG TYR A 16 7.495 5.252 -1.979 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.693 5.635 -3.034 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.690 4.604 -2.219 1.00 0.00 C ATOM 207 CE1 TYR A 16 7.102 5.359 -4.387 1.00 0.00 C ATOM 208 CE2 TYR A 16 9.099 4.328 -3.572 1.00 0.00 C ATOM 209 CZ TYR A 16 8.285 4.719 -4.589 1.00 0.00 C ATOM 210 OH TYR A 16 8.671 4.458 -5.867 1.00 0.00 O ATOM 0 H TYR A 16 5.817 7.189 1.217 1.00 0.00 H new ATOM 0 HA TYR A 16 8.558 7.029 0.061 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.482 4.787 0.118 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.976 5.458 -0.475 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.758 6.142 -2.845 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.318 4.304 -1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.484 5.653 -5.222 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.031 3.822 -3.775 1.00 0.00 H new ATOM 0 HH TYR A 16 8.104 3.752 -6.242 1.00 0.00 H new ATOM 220 N LEU A 17 7.958 8.696 -1.602 1.00 0.00 N ATOM 221 CA LEU A 17 7.648 9.737 -2.566 1.00 0.00 C ATOM 222 C LEU A 17 7.709 9.153 -3.979 1.00 0.00 C ATOM 223 O LEU A 17 8.710 8.548 -4.362 1.00 0.00 O ATOM 224 CB LEU A 17 8.562 10.947 -2.361 1.00 0.00 C ATOM 225 CG LEU A 17 8.465 11.638 -0.999 1.00 0.00 C ATOM 226 CD1 LEU A 17 7.171 12.446 -0.885 1.00 0.00 C ATOM 227 CD2 LEU A 17 8.611 10.627 0.140 1.00 0.00 C ATOM 0 H LEU A 17 8.953 8.569 -1.417 1.00 0.00 H new ATOM 0 HA LEU A 17 6.633 10.104 -2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.593 10.628 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.339 11.681 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 17 9.293 12.342 -0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.127 12.927 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.147 13.207 -1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.315 11.781 -1.001 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.538 11.144 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.819 9.882 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.580 10.134 0.067 1.00 0.00 H new ATOM 239 N PRO A 18 6.598 9.359 -4.735 1.00 0.00 N ATOM 240 CA PRO A 18 6.516 8.859 -6.097 1.00 0.00 C ATOM 241 C PRO A 18 7.361 9.712 -7.046 1.00 0.00 C ATOM 242 O PRO A 18 7.063 10.885 -7.263 1.00 0.00 O ATOM 243 CB PRO A 18 5.034 8.884 -6.437 1.00 0.00 C ATOM 244 CG PRO A 18 4.392 9.827 -5.432 1.00 0.00 C ATOM 245 CD PRO A 18 5.394 10.070 -4.315 1.00 0.00 C ATOM 0 HA PRO A 18 6.918 7.851 -6.200 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.873 9.232 -7.457 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.601 7.886 -6.369 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.119 10.767 -5.911 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.474 9.394 -5.034 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.589 11.134 -4.182 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.024 9.693 -3.362 1.00 0.00 H new ATOM 253 N GLN A 19 8.398 9.088 -7.585 1.00 0.00 N ATOM 254 CA GLN A 19 9.289 9.775 -8.505 1.00 0.00 C ATOM 255 C GLN A 19 8.655 9.857 -9.895 1.00 0.00 C ATOM 256 O GLN A 19 9.287 10.322 -10.842 1.00 0.00 O ATOM 257 CB GLN A 19 10.654 9.086 -8.564 1.00 0.00 C ATOM 258 CG GLN A 19 11.138 8.707 -7.163 1.00 0.00 C ATOM 259 CD GLN A 19 12.455 9.411 -6.829 1.00 0.00 C ATOM 260 OE1 GLN A 19 13.376 9.472 -7.628 1.00 0.00 O ATOM 261 NE2 GLN A 19 12.494 9.937 -5.608 1.00 0.00 N ATOM 0 H GLN A 19 8.641 8.114 -7.402 1.00 0.00 H new ATOM 0 HA GLN A 19 9.447 10.789 -8.139 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.588 8.192 -9.184 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.379 9.748 -9.036 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.380 8.977 -6.427 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.273 7.627 -7.101 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.688 9.850 -4.989 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.330 10.427 -5.290 1.00 0.00 H new ATOM 270 N ASN A 20 7.415 9.398 -9.973 1.00 0.00 N ATOM 271 CA ASN A 20 6.689 9.414 -11.231 1.00 0.00 C ATOM 272 C ASN A 20 5.286 9.979 -10.999 1.00 0.00 C ATOM 273 O ASN A 20 4.992 10.497 -9.923 1.00 0.00 O ATOM 274 CB ASN A 20 6.542 8.001 -11.800 1.00 0.00 C ATOM 275 CG ASN A 20 7.890 7.279 -11.830 1.00 0.00 C ATOM 276 OD1 ASN A 20 8.633 7.336 -12.796 1.00 0.00 O ATOM 277 ND2 ASN A 20 8.164 6.599 -10.720 1.00 0.00 N ATOM 0 H ASN A 20 6.894 9.013 -9.185 1.00 0.00 H new ATOM 0 HA ASN A 20 7.248 10.030 -11.935 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.835 7.433 -11.195 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.130 8.052 -12.808 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.041 6.084 -10.641 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.497 6.593 -9.948 1.00 0.00 H new ATOM 284 N ASP A 21 4.457 9.859 -12.026 1.00 0.00 N ATOM 285 CA ASP A 21 3.092 10.351 -11.947 1.00 0.00 C ATOM 286 C ASP A 21 2.123 9.170 -12.026 1.00 0.00 C ATOM 287 O ASP A 21 0.974 9.331 -12.434 1.00 0.00 O ATOM 288 CB ASP A 21 2.780 11.297 -13.108 1.00 0.00 C ATOM 289 CG ASP A 21 3.377 10.887 -14.455 1.00 0.00 C ATOM 290 OD1 ASP A 21 2.748 10.036 -15.119 1.00 0.00 O ATOM 291 OD2 ASP A 21 4.450 11.434 -14.790 1.00 0.00 O ATOM 0 H ASP A 21 4.704 9.428 -12.917 1.00 0.00 H new ATOM 0 HA ASP A 21 2.981 10.887 -11.005 1.00 0.00 H new ATOM 0 HB2 ASP A 21 1.698 11.372 -13.215 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.145 12.292 -12.854 1.00 0.00 H new ATOM 296 N ASP A 22 2.623 8.008 -11.629 1.00 0.00 N ATOM 297 CA ASP A 22 1.816 6.800 -11.650 1.00 0.00 C ATOM 298 C ASP A 22 2.154 5.945 -10.428 1.00 0.00 C ATOM 299 O ASP A 22 1.826 4.760 -10.385 1.00 0.00 O ATOM 300 CB ASP A 22 2.101 5.969 -12.903 1.00 0.00 C ATOM 301 CG ASP A 22 0.862 5.405 -13.601 1.00 0.00 C ATOM 302 OD1 ASP A 22 -0.120 5.129 -12.878 1.00 0.00 O ATOM 303 OD2 ASP A 22 0.924 5.264 -14.841 1.00 0.00 O ATOM 0 H ASP A 22 3.577 7.878 -11.291 1.00 0.00 H new ATOM 0 HA ASP A 22 0.767 7.095 -11.644 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.650 6.587 -13.613 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.754 5.140 -12.630 1.00 0.00 H new ATOM 308 N GLU A 23 2.807 6.578 -9.464 1.00 0.00 N ATOM 309 CA GLU A 23 3.193 5.890 -8.244 1.00 0.00 C ATOM 310 C GLU A 23 2.378 6.411 -7.059 1.00 0.00 C ATOM 311 O GLU A 23 1.796 7.493 -7.129 1.00 0.00 O ATOM 312 CB GLU A 23 4.694 6.037 -7.984 1.00 0.00 C ATOM 313 CG GLU A 23 5.476 4.883 -8.616 1.00 0.00 C ATOM 314 CD GLU A 23 6.700 4.524 -7.773 1.00 0.00 C ATOM 315 OE1 GLU A 23 6.492 3.914 -6.702 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.817 4.866 -8.218 1.00 0.00 O ATOM 0 H GLU A 23 3.078 7.560 -9.503 1.00 0.00 H new ATOM 0 HA GLU A 23 2.980 4.828 -8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.046 6.985 -8.391 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.880 6.062 -6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.829 4.011 -8.714 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.791 5.160 -9.622 1.00 0.00 H new ATOM 323 N LEU A 24 2.360 5.616 -5.999 1.00 0.00 N ATOM 324 CA LEU A 24 1.626 5.984 -4.801 1.00 0.00 C ATOM 325 C LEU A 24 2.578 6.655 -3.809 1.00 0.00 C ATOM 326 O LEU A 24 3.746 6.281 -3.715 1.00 0.00 O ATOM 327 CB LEU A 24 0.896 4.768 -4.226 1.00 0.00 C ATOM 328 CG LEU A 24 -0.327 4.288 -5.009 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.183 3.342 -4.164 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.137 5.471 -5.543 1.00 0.00 C ATOM 0 H LEU A 24 2.842 4.719 -5.945 1.00 0.00 H new ATOM 0 HA LEU A 24 0.850 6.711 -5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.605 3.943 -4.156 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.582 5.005 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 24 0.022 3.722 -5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.046 3.016 -4.745 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.590 2.474 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.524 3.862 -3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.001 5.101 -6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.476 6.086 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.512 6.070 -6.205 1.00 0.00 H new ATOM 342 N GLU A 25 2.044 7.634 -3.094 1.00 0.00 N ATOM 343 CA GLU A 25 2.832 8.361 -2.113 1.00 0.00 C ATOM 344 C GLU A 25 2.554 7.826 -0.707 1.00 0.00 C ATOM 345 O GLU A 25 1.560 8.196 -0.084 1.00 0.00 O ATOM 346 CB GLU A 25 2.556 9.864 -2.193 1.00 0.00 C ATOM 347 CG GLU A 25 3.328 10.621 -1.110 1.00 0.00 C ATOM 348 CD GLU A 25 2.978 12.110 -1.127 1.00 0.00 C ATOM 349 OE1 GLU A 25 3.569 12.823 -1.967 1.00 0.00 O ATOM 350 OE2 GLU A 25 2.127 12.502 -0.300 1.00 0.00 O ATOM 0 H GLU A 25 1.075 7.941 -3.174 1.00 0.00 H new ATOM 0 HA GLU A 25 3.888 8.207 -2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.841 10.238 -3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.488 10.048 -2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.096 10.200 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.399 10.494 -1.266 1.00 0.00 H new ATOM 357 N LEU A 26 3.449 6.963 -0.249 1.00 0.00 N ATOM 358 CA LEU A 26 3.312 6.373 1.072 1.00 0.00 C ATOM 359 C LEU A 26 3.671 7.417 2.131 1.00 0.00 C ATOM 360 O LEU A 26 4.627 8.172 1.965 1.00 0.00 O ATOM 361 CB LEU A 26 4.136 5.087 1.172 1.00 0.00 C ATOM 362 CG LEU A 26 4.022 4.124 -0.012 1.00 0.00 C ATOM 363 CD1 LEU A 26 5.072 3.015 0.082 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.604 3.562 -0.127 1.00 0.00 C ATOM 0 H LEU A 26 4.272 6.658 -0.769 1.00 0.00 H new ATOM 0 HA LEU A 26 2.279 6.077 1.252 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.184 5.359 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.837 4.557 2.076 1.00 0.00 H new ATOM 0 HG LEU A 26 4.222 4.681 -0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.970 2.344 -0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.069 3.456 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.927 2.453 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.550 2.881 -0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.351 3.024 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.899 4.380 -0.273 1.00 0.00 H new ATOM 376 N LYS A 27 2.884 7.426 3.197 1.00 0.00 N ATOM 377 CA LYS A 27 3.107 8.365 4.284 1.00 0.00 C ATOM 378 C LYS A 27 2.862 7.660 5.619 1.00 0.00 C ATOM 379 O LYS A 27 1.759 7.179 5.878 1.00 0.00 O ATOM 380 CB LYS A 27 2.258 9.622 4.087 1.00 0.00 C ATOM 381 CG LYS A 27 3.072 10.736 3.427 1.00 0.00 C ATOM 382 CD LYS A 27 2.959 12.041 4.218 1.00 0.00 C ATOM 383 CE LYS A 27 1.700 12.815 3.821 1.00 0.00 C ATOM 384 NZ LYS A 27 1.911 14.270 3.990 1.00 0.00 N ATOM 0 H LYS A 27 2.091 6.798 3.331 1.00 0.00 H new ATOM 0 HA LYS A 27 4.143 8.705 4.288 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.391 9.386 3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.880 9.965 5.050 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.118 10.436 3.361 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.720 10.893 2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.934 11.822 5.286 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.840 12.657 4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.444 12.597 2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.858 12.490 4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.047 14.780 3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.134 14.475 4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.701 14.579 3.388 1.00 0.00 H new ATOM 398 N VAL A 28 3.907 7.620 6.432 1.00 0.00 N ATOM 399 CA VAL A 28 3.819 6.982 7.734 1.00 0.00 C ATOM 400 C VAL A 28 2.428 7.222 8.322 1.00 0.00 C ATOM 401 O VAL A 28 2.141 8.308 8.825 1.00 0.00 O ATOM 402 CB VAL A 28 4.946 7.484 8.640 1.00 0.00 C ATOM 403 CG1 VAL A 28 4.843 6.867 10.036 1.00 0.00 C ATOM 404 CG2 VAL A 28 6.315 7.206 8.017 1.00 0.00 C ATOM 0 H VAL A 28 4.820 8.019 6.214 1.00 0.00 H new ATOM 0 HA VAL A 28 3.951 5.904 7.641 1.00 0.00 H new ATOM 0 HB VAL A 28 4.838 8.564 8.742 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.655 7.240 10.660 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.887 7.139 10.484 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.913 5.782 9.960 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.098 7.572 8.681 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.437 6.133 7.870 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.387 7.714 7.055 1.00 0.00 H new ATOM 414 N GLY A 29 1.599 6.191 8.240 1.00 0.00 N ATOM 415 CA GLY A 29 0.245 6.277 8.758 1.00 0.00 C ATOM 416 C GLY A 29 -0.777 6.300 7.619 1.00 0.00 C ATOM 417 O GLY A 29 -1.858 6.869 7.762 1.00 0.00 O ATOM 0 H GLY A 29 1.840 5.292 7.822 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.047 5.428 9.412 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.140 7.177 9.364 1.00 0.00 H new ATOM 421 N ASP A 30 -0.399 5.673 6.515 1.00 0.00 N ATOM 422 CA ASP A 30 -1.269 5.614 5.353 1.00 0.00 C ATOM 423 C ASP A 30 -1.740 4.173 5.146 1.00 0.00 C ATOM 424 O ASP A 30 -0.983 3.230 5.371 1.00 0.00 O ATOM 425 CB ASP A 30 -0.529 6.055 4.088 1.00 0.00 C ATOM 426 CG ASP A 30 -0.496 7.566 3.851 1.00 0.00 C ATOM 427 OD1 ASP A 30 -0.690 8.300 4.844 1.00 0.00 O ATOM 428 OD2 ASP A 30 -0.279 7.953 2.683 1.00 0.00 O ATOM 0 H ASP A 30 0.498 5.201 6.401 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.112 6.282 5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.496 5.688 4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.996 5.578 3.227 1.00 0.00 H new ATOM 433 N ILE A 31 -2.989 4.048 4.721 1.00 0.00 N ATOM 434 CA ILE A 31 -3.570 2.738 4.482 1.00 0.00 C ATOM 435 C ILE A 31 -3.899 2.595 2.995 1.00 0.00 C ATOM 436 O ILE A 31 -4.740 3.322 2.468 1.00 0.00 O ATOM 437 CB ILE A 31 -4.771 2.509 5.402 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.370 2.649 6.872 1.00 0.00 C ATOM 439 CG2 ILE A 31 -5.433 1.160 5.115 1.00 0.00 C ATOM 440 CD1 ILE A 31 -5.553 2.349 7.795 1.00 0.00 C ATOM 0 H ILE A 31 -3.614 4.832 4.536 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.855 1.953 4.728 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.512 3.281 5.195 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.549 1.968 7.095 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.006 3.659 7.059 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.284 1.023 5.783 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.776 1.136 4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.712 0.359 5.277 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.240 2.456 8.834 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.363 3.047 7.586 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.899 1.330 7.623 1.00 0.00 H new ATOM 452 N ILE A 32 -3.219 1.652 2.359 1.00 0.00 N ATOM 453 CA ILE A 32 -3.428 1.404 0.943 1.00 0.00 C ATOM 454 C ILE A 32 -4.358 0.200 0.772 1.00 0.00 C ATOM 455 O ILE A 32 -3.941 -0.942 0.961 1.00 0.00 O ATOM 456 CB ILE A 32 -2.088 1.253 0.222 1.00 0.00 C ATOM 457 CG1 ILE A 32 -1.472 2.620 -0.083 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.236 0.397 -1.038 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.012 2.677 0.372 1.00 0.00 C ATOM 0 H ILE A 32 -2.523 1.050 2.799 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.921 2.257 0.476 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.400 0.731 0.887 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.531 2.819 -1.153 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.044 3.401 0.419 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.268 0.306 -1.532 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.599 -0.594 -0.764 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.946 0.869 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.402 3.659 0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.041 2.502 1.446 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.562 1.911 -0.150 1.00 0.00 H new ATOM 471 N GLU A 33 -5.599 0.498 0.418 1.00 0.00 N ATOM 472 CA GLU A 33 -6.591 -0.546 0.220 1.00 0.00 C ATOM 473 C GLU A 33 -6.130 -1.516 -0.870 1.00 0.00 C ATOM 474 O GLU A 33 -6.549 -1.407 -2.021 1.00 0.00 O ATOM 475 CB GLU A 33 -7.956 0.053 -0.122 1.00 0.00 C ATOM 476 CG GLU A 33 -8.981 -0.256 0.972 1.00 0.00 C ATOM 477 CD GLU A 33 -10.400 0.072 0.503 1.00 0.00 C ATOM 478 OE1 GLU A 33 -10.861 -0.614 -0.434 1.00 0.00 O ATOM 479 OE2 GLU A 33 -10.991 1.002 1.093 1.00 0.00 O ATOM 0 H GLU A 33 -5.941 1.447 0.263 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.697 -1.101 1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.863 1.132 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.304 -0.347 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.919 -1.309 1.246 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.748 0.321 1.867 1.00 0.00 H new ATOM 486 N VAL A 34 -5.274 -2.444 -0.467 1.00 0.00 N ATOM 487 CA VAL A 34 -4.752 -3.433 -1.395 1.00 0.00 C ATOM 488 C VAL A 34 -5.873 -3.892 -2.329 1.00 0.00 C ATOM 489 O VAL A 34 -6.871 -4.453 -1.879 1.00 0.00 O ATOM 490 CB VAL A 34 -4.108 -4.587 -0.622 1.00 0.00 C ATOM 491 CG1 VAL A 34 -3.391 -5.549 -1.571 1.00 0.00 C ATOM 492 CG2 VAL A 34 -3.153 -4.062 0.451 1.00 0.00 C ATOM 0 H VAL A 34 -4.929 -2.532 0.489 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.969 -2.998 -2.016 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.903 -5.140 -0.121 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.942 -6.360 -0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.108 -5.961 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.611 -5.013 -2.112 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.709 -4.902 0.985 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.365 -3.474 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.703 -3.435 1.153 1.00 0.00 H new ATOM 502 N VAL A 35 -5.672 -3.636 -3.613 1.00 0.00 N ATOM 503 CA VAL A 35 -6.654 -4.016 -4.615 1.00 0.00 C ATOM 504 C VAL A 35 -6.087 -5.147 -5.475 1.00 0.00 C ATOM 505 O VAL A 35 -6.810 -6.071 -5.846 1.00 0.00 O ATOM 506 CB VAL A 35 -7.065 -2.791 -5.435 1.00 0.00 C ATOM 507 CG1 VAL A 35 -6.010 -2.458 -6.491 1.00 0.00 C ATOM 508 CG2 VAL A 35 -8.438 -2.998 -6.077 1.00 0.00 C ATOM 0 H VAL A 35 -4.844 -3.170 -3.983 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.560 -4.392 -4.139 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.137 -1.942 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.327 -1.584 -7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.059 -2.247 -6.002 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.891 -3.306 -7.166 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.707 -2.113 -6.654 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.404 -3.865 -6.737 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.183 -3.163 -5.298 1.00 0.00 H new ATOM 518 N GLY A 36 -4.799 -5.038 -5.766 1.00 0.00 N ATOM 519 CA GLY A 36 -4.128 -6.041 -6.576 1.00 0.00 C ATOM 520 C GLY A 36 -2.608 -5.926 -6.441 1.00 0.00 C ATOM 521 O GLY A 36 -2.110 -5.236 -5.553 1.00 0.00 O ATOM 0 H GLY A 36 -4.202 -4.271 -5.456 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.450 -7.036 -6.270 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.414 -5.921 -7.621 1.00 0.00 H new ATOM 525 N GLU A 37 -1.913 -6.612 -7.337 1.00 0.00 N ATOM 526 CA GLU A 37 -0.460 -6.595 -7.330 1.00 0.00 C ATOM 527 C GLU A 37 0.076 -6.439 -8.754 1.00 0.00 C ATOM 528 O GLU A 37 -0.451 -7.040 -9.689 1.00 0.00 O ATOM 529 CB GLU A 37 0.099 -7.856 -6.669 1.00 0.00 C ATOM 530 CG GLU A 37 1.565 -8.071 -7.051 1.00 0.00 C ATOM 531 CD GLU A 37 1.688 -9.038 -8.231 1.00 0.00 C ATOM 532 OE1 GLU A 37 1.779 -10.255 -7.960 1.00 0.00 O ATOM 533 OE2 GLU A 37 1.687 -8.538 -9.376 1.00 0.00 O ATOM 0 H GLU A 37 -2.329 -7.183 -8.073 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.129 -5.739 -6.743 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.010 -7.773 -5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.490 -8.722 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.021 -7.115 -7.310 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.114 -8.464 -6.195 1.00 0.00 H new ATOM 540 N VAL A 38 1.117 -5.629 -8.875 1.00 0.00 N ATOM 541 CA VAL A 38 1.730 -5.386 -10.170 1.00 0.00 C ATOM 542 C VAL A 38 2.820 -6.431 -10.417 1.00 0.00 C ATOM 543 O VAL A 38 2.675 -7.292 -11.285 1.00 0.00 O ATOM 544 CB VAL A 38 2.253 -3.950 -10.241 1.00 0.00 C ATOM 545 CG1 VAL A 38 2.665 -3.586 -11.669 1.00 0.00 C ATOM 546 CG2 VAL A 38 1.216 -2.962 -9.701 1.00 0.00 C ATOM 0 H VAL A 38 1.552 -5.132 -8.097 1.00 0.00 H new ATOM 0 HA VAL A 38 0.993 -5.489 -10.966 1.00 0.00 H new ATOM 0 HB VAL A 38 3.139 -3.885 -9.610 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.033 -2.560 -11.691 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.452 -4.261 -12.004 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.804 -3.677 -12.331 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.612 -1.949 -9.763 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.304 -3.032 -10.294 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.992 -3.201 -8.661 1.00 0.00 H new ATOM 556 N GLU A 39 3.887 -6.323 -9.640 1.00 0.00 N ATOM 557 CA GLU A 39 5.001 -7.248 -9.764 1.00 0.00 C ATOM 558 C GLU A 39 5.593 -7.552 -8.386 1.00 0.00 C ATOM 559 O GLU A 39 5.336 -6.832 -7.423 1.00 0.00 O ATOM 560 CB GLU A 39 6.069 -6.696 -10.710 1.00 0.00 C ATOM 561 CG GLU A 39 6.523 -5.303 -10.272 1.00 0.00 C ATOM 562 CD GLU A 39 7.463 -4.682 -11.307 1.00 0.00 C ATOM 563 OE1 GLU A 39 8.472 -5.347 -11.629 1.00 0.00 O ATOM 564 OE2 GLU A 39 7.152 -3.557 -11.754 1.00 0.00 O ATOM 0 H GLU A 39 4.004 -5.609 -8.921 1.00 0.00 H new ATOM 0 HA GLU A 39 4.630 -8.179 -10.192 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.925 -7.371 -10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.673 -6.651 -11.724 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.654 -4.660 -10.133 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.029 -5.368 -9.309 1.00 0.00 H new ATOM 571 N GLU A 40 6.375 -8.621 -8.337 1.00 0.00 N ATOM 572 CA GLU A 40 7.006 -9.030 -7.094 1.00 0.00 C ATOM 573 C GLU A 40 7.662 -7.828 -6.411 1.00 0.00 C ATOM 574 O GLU A 40 8.497 -7.150 -7.008 1.00 0.00 O ATOM 575 CB GLU A 40 8.025 -10.145 -7.337 1.00 0.00 C ATOM 576 CG GLU A 40 8.290 -10.935 -6.053 1.00 0.00 C ATOM 577 CD GLU A 40 9.790 -11.029 -5.768 1.00 0.00 C ATOM 578 OE1 GLU A 40 10.407 -11.986 -6.283 1.00 0.00 O ATOM 579 OE2 GLU A 40 10.287 -10.142 -5.040 1.00 0.00 O ATOM 0 H GLU A 40 6.586 -9.216 -9.138 1.00 0.00 H new ATOM 0 HA GLU A 40 6.236 -9.425 -6.431 1.00 0.00 H new ATOM 0 HB2 GLU A 40 7.656 -10.817 -8.112 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.958 -9.717 -7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.786 -10.454 -5.215 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.870 -11.937 -6.145 1.00 0.00 H new ATOM 586 N GLY A 41 7.259 -7.600 -5.170 1.00 0.00 N ATOM 587 CA GLY A 41 7.796 -6.491 -4.400 1.00 0.00 C ATOM 588 C GLY A 41 6.992 -5.213 -4.643 1.00 0.00 C ATOM 589 O GLY A 41 7.199 -4.207 -3.966 1.00 0.00 O ATOM 0 H GLY A 41 6.566 -8.165 -4.678 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.779 -6.739 -3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.838 -6.326 -4.672 1.00 0.00 H new ATOM 593 N TRP A 42 6.091 -5.294 -5.611 1.00 0.00 N ATOM 594 CA TRP A 42 5.254 -4.157 -5.951 1.00 0.00 C ATOM 595 C TRP A 42 3.798 -4.627 -5.965 1.00 0.00 C ATOM 596 O TRP A 42 3.455 -5.577 -6.667 1.00 0.00 O ATOM 597 CB TRP A 42 5.692 -3.531 -7.277 1.00 0.00 C ATOM 598 CG TRP A 42 7.043 -2.817 -7.212 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.266 -3.351 -7.341 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.261 -1.407 -6.995 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.251 -2.392 -7.224 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.621 -1.172 -7.006 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.339 -0.364 -6.795 1.00 0.00 C ATOM 604 CZ2 TRP A 42 9.181 0.098 -6.824 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.915 0.899 -6.614 1.00 0.00 C ATOM 606 CH2 TRP A 42 8.282 1.152 -6.623 1.00 0.00 C ATOM 0 H TRP A 42 5.923 -6.130 -6.171 1.00 0.00 H new ATOM 0 HA TRP A 42 5.357 -3.367 -5.207 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.741 -4.311 -8.037 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.932 -2.820 -7.600 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.456 -4.400 -7.515 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.257 -2.549 -7.286 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.271 -0.525 -6.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.249 0.256 -6.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.251 1.736 -6.456 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.649 2.157 -6.476 1.00 0.00 H new ATOM 617 N TRP A 43 2.980 -3.941 -5.180 1.00 0.00 N ATOM 618 CA TRP A 43 1.569 -4.278 -5.093 1.00 0.00 C ATOM 619 C TRP A 43 0.767 -3.098 -5.645 1.00 0.00 C ATOM 620 O TRP A 43 1.328 -2.041 -5.931 1.00 0.00 O ATOM 621 CB TRP A 43 1.181 -4.646 -3.659 1.00 0.00 C ATOM 622 CG TRP A 43 1.732 -5.995 -3.192 1.00 0.00 C ATOM 623 CD1 TRP A 43 2.302 -6.955 -3.933 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.741 -6.498 -1.839 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.676 -8.035 -3.161 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.325 -7.748 -1.847 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.272 -5.915 -0.649 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.493 -8.522 -0.693 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.448 -6.701 0.496 1.00 0.00 C ATOM 630 CH2 TRP A 43 2.034 -7.962 0.505 1.00 0.00 C ATOM 0 H TRP A 43 3.267 -3.154 -4.599 1.00 0.00 H new ATOM 0 HA TRP A 43 1.345 -5.161 -5.691 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.538 -3.867 -2.986 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.094 -4.662 -3.580 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.450 -6.891 -5.001 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.127 -8.887 -3.493 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.812 -4.938 -0.620 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.952 -9.499 -0.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.105 -6.300 1.438 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.135 -8.507 1.432 1.00 0.00 H new ATOM 641 N GLU A 44 -0.533 -3.318 -5.779 1.00 0.00 N ATOM 642 CA GLU A 44 -1.417 -2.286 -6.292 1.00 0.00 C ATOM 643 C GLU A 44 -2.629 -2.121 -5.373 1.00 0.00 C ATOM 644 O GLU A 44 -3.381 -3.070 -5.154 1.00 0.00 O ATOM 645 CB GLU A 44 -1.855 -2.601 -7.724 1.00 0.00 C ATOM 646 CG GLU A 44 -2.173 -1.319 -8.495 1.00 0.00 C ATOM 647 CD GLU A 44 -1.411 -1.273 -9.821 1.00 0.00 C ATOM 648 OE1 GLU A 44 -1.874 -1.950 -10.765 1.00 0.00 O ATOM 649 OE2 GLU A 44 -0.383 -0.562 -9.862 1.00 0.00 O ATOM 0 H GLU A 44 -0.995 -4.196 -5.541 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.869 -1.344 -6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.066 -3.151 -8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.734 -3.246 -7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.245 -1.261 -8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.909 -0.452 -7.890 1.00 0.00 H new ATOM 656 N GLY A 45 -2.781 -0.909 -4.860 1.00 0.00 N ATOM 657 CA GLY A 45 -3.889 -0.607 -3.969 1.00 0.00 C ATOM 658 C GLY A 45 -4.316 0.856 -4.101 1.00 0.00 C ATOM 659 O GLY A 45 -3.924 1.538 -5.047 1.00 0.00 O ATOM 0 H GLY A 45 -2.156 -0.125 -5.044 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.733 -1.258 -4.199 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.598 -0.813 -2.939 1.00 0.00 H new ATOM 663 N VAL A 46 -5.113 1.296 -3.139 1.00 0.00 N ATOM 664 CA VAL A 46 -5.597 2.666 -3.135 1.00 0.00 C ATOM 665 C VAL A 46 -5.198 3.340 -1.821 1.00 0.00 C ATOM 666 O VAL A 46 -5.560 2.871 -0.743 1.00 0.00 O ATOM 667 CB VAL A 46 -7.106 2.689 -3.384 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.675 4.094 -3.179 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.439 2.161 -4.781 1.00 0.00 C ATOM 0 H VAL A 46 -5.436 0.728 -2.356 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.139 3.235 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.576 2.028 -2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.749 4.082 -3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.485 4.418 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.196 4.785 -3.873 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.518 2.188 -4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.952 2.784 -5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.085 1.135 -4.876 1.00 0.00 H new ATOM 679 N LEU A 47 -4.457 4.431 -1.953 1.00 0.00 N ATOM 680 CA LEU A 47 -4.005 5.174 -0.790 1.00 0.00 C ATOM 681 C LEU A 47 -5.191 5.916 -0.171 1.00 0.00 C ATOM 682 O LEU A 47 -5.545 5.676 0.982 1.00 0.00 O ATOM 683 CB LEU A 47 -2.833 6.087 -1.159 1.00 0.00 C ATOM 684 CG LEU A 47 -2.312 6.993 -0.042 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.418 6.304 1.319 1.00 0.00 C ATOM 686 CD2 LEU A 47 -0.886 7.462 -0.337 1.00 0.00 C ATOM 0 H LEU A 47 -4.159 4.818 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.622 4.494 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.009 5.465 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.137 6.714 -1.997 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.942 7.881 -0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.041 6.971 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.461 6.062 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.828 5.388 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.540 8.105 0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.228 6.597 -0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.873 8.019 -1.274 1.00 0.00 H new ATOM 698 N ASN A 48 -5.773 6.803 -0.965 1.00 0.00 N ATOM 699 CA ASN A 48 -6.912 7.581 -0.510 1.00 0.00 C ATOM 700 C ASN A 48 -7.697 8.086 -1.723 1.00 0.00 C ATOM 701 O ASN A 48 -7.753 9.288 -1.975 1.00 0.00 O ATOM 702 CB ASN A 48 -6.459 8.798 0.299 1.00 0.00 C ATOM 703 CG ASN A 48 -5.686 9.784 -0.579 1.00 0.00 C ATOM 704 OD1 ASN A 48 -6.012 10.956 -0.678 1.00 0.00 O ATOM 705 ND2 ASN A 48 -4.646 9.246 -1.209 1.00 0.00 N ATOM 0 H ASN A 48 -5.477 7.000 -1.921 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.530 6.939 0.118 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.327 9.295 0.732 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.830 8.474 1.128 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.066 9.822 -1.819 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.428 8.258 -1.082 1.00 0.00 H new ATOM 712 N GLY A 49 -8.284 7.140 -2.442 1.00 0.00 N ATOM 713 CA GLY A 49 -9.063 7.474 -3.623 1.00 0.00 C ATOM 714 C GLY A 49 -8.221 7.334 -4.893 1.00 0.00 C ATOM 715 O GLY A 49 -8.763 7.229 -5.992 1.00 0.00 O ATOM 0 H GLY A 49 -8.236 6.143 -2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.933 6.821 -3.686 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.436 8.495 -3.540 1.00 0.00 H new ATOM 719 N LYS A 50 -6.910 7.339 -4.699 1.00 0.00 N ATOM 720 CA LYS A 50 -5.989 7.215 -5.815 1.00 0.00 C ATOM 721 C LYS A 50 -5.650 5.738 -6.029 1.00 0.00 C ATOM 722 O LYS A 50 -6.339 4.859 -5.515 1.00 0.00 O ATOM 723 CB LYS A 50 -4.761 8.102 -5.598 1.00 0.00 C ATOM 724 CG LYS A 50 -4.187 8.580 -6.933 1.00 0.00 C ATOM 725 CD LYS A 50 -4.116 10.108 -6.983 1.00 0.00 C ATOM 726 CE LYS A 50 -3.004 10.575 -7.924 1.00 0.00 C ATOM 727 NZ LYS A 50 -3.534 10.782 -9.290 1.00 0.00 N ATOM 0 H LYS A 50 -6.464 7.427 -3.786 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.454 7.573 -6.734 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -5.033 8.962 -4.986 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.000 7.548 -5.049 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.191 8.161 -7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.807 8.214 -7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.073 10.509 -7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.938 10.500 -5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.570 11.503 -7.551 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.204 9.835 -7.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.766 11.099 -9.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.927 9.889 -9.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.282 11.504 -9.266 1.00 0.00 H new ATOM 741 N THR A 51 -4.589 5.511 -6.789 1.00 0.00 N ATOM 742 CA THR A 51 -4.150 4.157 -7.078 1.00 0.00 C ATOM 743 C THR A 51 -2.786 4.173 -7.770 1.00 0.00 C ATOM 744 O THR A 51 -2.492 5.079 -8.549 1.00 0.00 O ATOM 745 CB THR A 51 -5.242 3.472 -7.902 1.00 0.00 C ATOM 746 OG1 THR A 51 -6.132 2.939 -6.926 1.00 0.00 O ATOM 747 CG2 THR A 51 -4.726 2.240 -8.648 1.00 0.00 C ATOM 0 H THR A 51 -4.020 6.243 -7.214 1.00 0.00 H new ATOM 0 HA THR A 51 -4.006 3.584 -6.162 1.00 0.00 H new ATOM 0 HB THR A 51 -5.656 4.183 -8.617 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.686 3.660 -6.560 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.540 1.792 -9.217 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.927 2.535 -9.329 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.342 1.515 -7.931 1.00 0.00 H new ATOM 755 N GLY A 52 -1.989 3.161 -7.462 1.00 0.00 N ATOM 756 CA GLY A 52 -0.663 3.048 -8.045 1.00 0.00 C ATOM 757 C GLY A 52 0.053 1.794 -7.539 1.00 0.00 C ATOM 758 O GLY A 52 -0.553 0.954 -6.875 1.00 0.00 O ATOM 0 H GLY A 52 -2.236 2.411 -6.816 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.741 3.013 -9.132 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.076 3.932 -7.796 1.00 0.00 H new ATOM 762 N MET A 53 1.332 1.707 -7.873 1.00 0.00 N ATOM 763 CA MET A 53 2.137 0.569 -7.462 1.00 0.00 C ATOM 764 C MET A 53 3.169 0.979 -6.409 1.00 0.00 C ATOM 765 O MET A 53 4.055 1.787 -6.684 1.00 0.00 O ATOM 766 CB MET A 53 2.856 -0.016 -8.680 1.00 0.00 C ATOM 767 CG MET A 53 3.272 1.089 -9.653 1.00 0.00 C ATOM 768 SD MET A 53 4.277 0.404 -10.959 1.00 0.00 S ATOM 769 CE MET A 53 5.689 -0.139 -10.012 1.00 0.00 C ATOM 0 H MET A 53 1.831 2.406 -8.424 1.00 0.00 H new ATOM 0 HA MET A 53 1.476 -0.180 -7.025 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.737 -0.570 -8.356 1.00 0.00 H new ATOM 0 HB3 MET A 53 2.202 -0.725 -9.187 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.387 1.565 -10.075 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.828 1.862 -9.122 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.531 -0.312 -10.682 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.955 0.627 -9.284 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.444 -1.064 -9.491 1.00 0.00 H new ATOM 779 N PHE A 54 3.019 0.404 -5.225 1.00 0.00 N ATOM 780 CA PHE A 54 3.926 0.700 -4.129 1.00 0.00 C ATOM 781 C PHE A 54 4.661 -0.561 -3.670 1.00 0.00 C ATOM 782 O PHE A 54 4.168 -1.673 -3.853 1.00 0.00 O ATOM 783 CB PHE A 54 3.075 1.229 -2.973 1.00 0.00 C ATOM 784 CG PHE A 54 2.166 0.175 -2.337 1.00 0.00 C ATOM 785 CD1 PHE A 54 0.915 -0.031 -2.830 1.00 0.00 C ATOM 786 CD2 PHE A 54 2.609 -0.555 -1.279 1.00 0.00 C ATOM 787 CE1 PHE A 54 0.072 -1.008 -2.239 1.00 0.00 C ATOM 788 CE2 PHE A 54 1.765 -1.533 -0.688 1.00 0.00 C ATOM 789 CZ PHE A 54 0.515 -1.739 -1.180 1.00 0.00 C ATOM 0 H PHE A 54 2.283 -0.265 -5.001 1.00 0.00 H new ATOM 0 HA PHE A 54 4.672 1.427 -4.450 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.734 1.636 -2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.461 2.053 -3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.563 0.549 -3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.602 -0.391 -0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.921 -1.171 -2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.117 -2.113 0.152 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.127 -2.483 -0.731 1.00 0.00 H new ATOM 799 N PRO A 55 5.860 -0.340 -3.066 1.00 0.00 N ATOM 800 CA PRO A 55 6.667 -1.446 -2.580 1.00 0.00 C ATOM 801 C PRO A 55 6.084 -2.024 -1.288 1.00 0.00 C ATOM 802 O PRO A 55 5.758 -1.281 -0.363 1.00 0.00 O ATOM 803 CB PRO A 55 8.059 -0.864 -2.394 1.00 0.00 C ATOM 804 CG PRO A 55 7.877 0.644 -2.338 1.00 0.00 C ATOM 805 CD PRO A 55 6.475 0.963 -2.832 1.00 0.00 C ATOM 0 HA PRO A 55 6.690 -2.287 -3.273 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.519 -1.236 -1.478 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.714 -1.148 -3.218 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.015 1.008 -1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.623 1.142 -2.958 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.916 1.538 -2.094 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.502 1.558 -3.745 1.00 0.00 H new ATOM 813 N SER A 56 5.971 -3.344 -1.267 1.00 0.00 N ATOM 814 CA SER A 56 5.433 -4.030 -0.105 1.00 0.00 C ATOM 815 C SER A 56 6.544 -4.273 0.919 1.00 0.00 C ATOM 816 O SER A 56 6.345 -4.995 1.896 1.00 0.00 O ATOM 817 CB SER A 56 4.777 -5.354 -0.501 1.00 0.00 C ATOM 818 OG SER A 56 4.733 -6.274 0.586 1.00 0.00 O ATOM 0 H SER A 56 6.243 -3.956 -2.036 1.00 0.00 H new ATOM 0 HA SER A 56 4.667 -3.396 0.342 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.764 -5.165 -0.857 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.328 -5.798 -1.330 1.00 0.00 H new ATOM 0 HG SER A 56 4.862 -5.791 1.429 1.00 0.00 H new ATOM 824 N ASN A 57 7.688 -3.658 0.661 1.00 0.00 N ATOM 825 CA ASN A 57 8.830 -3.799 1.549 1.00 0.00 C ATOM 826 C ASN A 57 8.991 -2.521 2.373 1.00 0.00 C ATOM 827 O ASN A 57 10.068 -2.250 2.902 1.00 0.00 O ATOM 828 CB ASN A 57 10.121 -4.015 0.755 1.00 0.00 C ATOM 829 CG ASN A 57 10.909 -5.206 1.304 1.00 0.00 C ATOM 830 OD1 ASN A 57 10.369 -6.108 1.925 1.00 0.00 O ATOM 831 ND2 ASN A 57 12.212 -5.160 1.041 1.00 0.00 N ATOM 0 H ASN A 57 7.849 -3.061 -0.150 1.00 0.00 H new ATOM 0 HA ASN A 57 8.653 -4.661 2.192 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.882 -4.185 -0.295 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.735 -3.116 0.801 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.824 -5.909 1.364 1.00 0.00 H new ATOM 0 HD22 ASN A 57 12.599 -4.376 0.516 1.00 0.00 H new ATOM 838 N PHE A 58 7.903 -1.769 2.458 1.00 0.00 N ATOM 839 CA PHE A 58 7.910 -0.525 3.210 1.00 0.00 C ATOM 840 C PHE A 58 6.532 -0.241 3.812 1.00 0.00 C ATOM 841 O PHE A 58 6.126 0.914 3.924 1.00 0.00 O ATOM 842 CB PHE A 58 8.263 0.591 2.225 1.00 0.00 C ATOM 843 CG PHE A 58 9.730 0.599 1.793 1.00 0.00 C ATOM 844 CD1 PHE A 58 10.142 -0.193 0.767 1.00 0.00 C ATOM 845 CD2 PHE A 58 10.624 1.399 2.436 1.00 0.00 C ATOM 846 CE1 PHE A 58 11.504 -0.185 0.367 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.986 1.406 2.035 1.00 0.00 C ATOM 848 CZ PHE A 58 12.398 0.614 1.009 1.00 0.00 C ATOM 0 H PHE A 58 7.011 -1.997 2.019 1.00 0.00 H new ATOM 0 HA PHE A 58 8.628 -0.588 4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.635 0.492 1.340 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.024 1.552 2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.433 -0.828 0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 58 10.297 2.028 3.251 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.831 -0.814 -0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 58 12.695 2.041 2.545 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.434 0.620 0.704 1.00 0.00 H new ATOM 858 N ILE A 59 5.851 -1.315 4.184 1.00 0.00 N ATOM 859 CA ILE A 59 4.528 -1.196 4.772 1.00 0.00 C ATOM 860 C ILE A 59 4.396 -2.191 5.926 1.00 0.00 C ATOM 861 O ILE A 59 5.372 -2.833 6.312 1.00 0.00 O ATOM 862 CB ILE A 59 3.449 -1.353 3.698 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.730 -2.568 2.812 1.00 0.00 C ATOM 864 CG2 ILE A 59 3.299 -0.069 2.880 1.00 0.00 C ATOM 865 CD1 ILE A 59 3.283 -3.861 3.497 1.00 0.00 C ATOM 0 H ILE A 59 6.191 -2.272 4.089 1.00 0.00 H new ATOM 0 HA ILE A 59 4.386 -0.200 5.192 1.00 0.00 H new ATOM 0 HB ILE A 59 2.495 -1.531 4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.209 -2.457 1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.795 -2.621 2.588 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.526 -0.207 2.124 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.018 0.752 3.540 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.246 0.165 2.393 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.494 -4.709 2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.823 -3.981 4.436 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.213 -3.815 3.698 1.00 0.00 H new ATOM 877 N LYS A 60 3.181 -2.289 6.445 1.00 0.00 N ATOM 878 CA LYS A 60 2.909 -3.196 7.548 1.00 0.00 C ATOM 879 C LYS A 60 1.476 -3.719 7.430 1.00 0.00 C ATOM 880 O LYS A 60 0.521 -2.988 7.691 1.00 0.00 O ATOM 881 CB LYS A 60 3.208 -2.517 8.886 1.00 0.00 C ATOM 882 CG LYS A 60 2.472 -1.180 8.999 1.00 0.00 C ATOM 883 CD LYS A 60 2.704 -0.541 10.370 1.00 0.00 C ATOM 884 CE LYS A 60 2.435 0.965 10.325 1.00 0.00 C ATOM 885 NZ LYS A 60 3.300 1.674 11.294 1.00 0.00 N ATOM 0 H LYS A 60 2.374 -1.756 6.122 1.00 0.00 H new ATOM 0 HA LYS A 60 3.570 -4.062 7.502 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.909 -3.171 9.705 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.281 -2.355 8.984 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.816 -0.504 8.216 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.404 -1.334 8.841 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.052 -1.009 11.108 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.730 -0.721 10.691 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.619 1.344 9.319 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.387 1.160 10.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.105 2.695 11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.105 1.324 12.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.298 1.502 11.059 1.00 0.00 H new ATOM 899 N GLU A 61 1.370 -4.980 7.038 1.00 0.00 N ATOM 900 CA GLU A 61 0.070 -5.609 6.883 1.00 0.00 C ATOM 901 C GLU A 61 -0.735 -5.490 8.179 1.00 0.00 C ATOM 902 O GLU A 61 -0.195 -5.111 9.217 1.00 0.00 O ATOM 903 CB GLU A 61 0.216 -7.072 6.461 1.00 0.00 C ATOM 904 CG GLU A 61 1.312 -7.232 5.406 1.00 0.00 C ATOM 905 CD GLU A 61 2.585 -7.815 6.023 1.00 0.00 C ATOM 906 OE1 GLU A 61 2.987 -7.300 7.089 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.128 -8.762 5.414 1.00 0.00 O ATOM 0 H GLU A 61 2.164 -5.583 6.823 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.472 -5.089 6.093 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.453 -7.683 7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.732 -7.436 6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.960 -7.883 4.606 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.532 -6.264 4.955 1.00 0.00 H new ATOM 914 N LEU A 62 -2.014 -5.821 8.076 1.00 0.00 N ATOM 915 CA LEU A 62 -2.899 -5.756 9.227 1.00 0.00 C ATOM 916 C LEU A 62 -3.937 -6.875 9.130 1.00 0.00 C ATOM 917 O LEU A 62 -4.238 -7.355 8.038 1.00 0.00 O ATOM 918 CB LEU A 62 -3.510 -4.359 9.355 1.00 0.00 C ATOM 919 CG LEU A 62 -2.564 -3.186 9.088 1.00 0.00 C ATOM 920 CD1 LEU A 62 -3.345 -1.931 8.693 1.00 0.00 C ATOM 921 CD2 LEU A 62 -1.648 -2.937 10.287 1.00 0.00 C ATOM 0 H LEU A 62 -2.459 -6.135 7.213 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.339 -5.919 10.148 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.350 -4.287 8.664 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.915 -4.252 10.361 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.926 -3.447 8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.649 -1.112 8.509 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.919 -2.130 7.788 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.024 -1.656 9.500 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.986 -2.098 10.071 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.252 -2.706 11.164 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.052 -3.829 10.481 1.00 0.00 H new