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 -27:sc= -1.57! USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 40:sc= -1.88 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.492 K(o=-0.49,f=-1.4) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 177:sc= -6.28! USER MOD Single : A 53 MET CE :methyl -152:sc= -2.71 (180deg=-4.08!) USER MOD Single : A 56 SER OG : rot -177:sc= 0.136 USER MOD Single : A 57 ASN : amide:sc= -0.0366 X(o=-0.037,f=-0.27) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -7.842 -5.992 0.423 1.00 0.00 N ATOM 67 CA ARG A 8 -6.876 -6.052 1.507 1.00 0.00 C ATOM 68 C ARG A 8 -6.459 -4.641 1.925 1.00 0.00 C ATOM 69 O ARG A 8 -6.667 -3.682 1.182 1.00 0.00 O ATOM 70 CB ARG A 8 -5.633 -6.843 1.094 1.00 0.00 C ATOM 71 CG ARG A 8 -5.763 -8.315 1.492 1.00 0.00 C ATOM 72 CD ARG A 8 -4.755 -8.679 2.584 1.00 0.00 C ATOM 73 NE ARG A 8 -5.413 -9.495 3.629 1.00 0.00 N ATOM 74 CZ ARG A 8 -4.753 -10.227 4.536 1.00 0.00 C ATOM 75 NH1 ARG A 8 -3.414 -10.251 4.533 1.00 0.00 N ATOM 76 NH2 ARG A 8 -5.433 -10.937 5.447 1.00 0.00 N ATOM 0 HA ARG A 8 -7.352 -6.558 2.347 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.489 -6.765 0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.750 -6.412 1.565 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.775 -8.512 1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.602 -8.947 0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.921 -9.231 2.151 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.342 -7.772 3.026 1.00 0.00 H new ATOM 0 HE ARG A 8 -6.433 -9.500 3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.896 -9.711 3.840 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -2.912 -10.809 5.224 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.453 -10.920 5.449 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -4.931 -11.495 6.138 1.00 0.00 H new ATOM 90 N ARG A 9 -5.876 -4.557 3.112 1.00 0.00 N ATOM 91 CA ARG A 9 -5.428 -3.279 3.637 1.00 0.00 C ATOM 92 C ARG A 9 -4.101 -3.447 4.381 1.00 0.00 C ATOM 93 O ARG A 9 -3.869 -4.472 5.020 1.00 0.00 O ATOM 94 CB ARG A 9 -6.465 -2.680 4.589 1.00 0.00 C ATOM 95 CG ARG A 9 -7.265 -1.572 3.900 1.00 0.00 C ATOM 96 CD ARG A 9 -8.290 -0.961 4.857 1.00 0.00 C ATOM 97 NE ARG A 9 -9.661 -1.306 4.419 1.00 0.00 N ATOM 98 CZ ARG A 9 -10.725 -0.507 4.579 1.00 0.00 C ATOM 99 NH1 ARG A 9 -10.582 0.688 5.168 1.00 0.00 N ATOM 100 NH2 ARG A 9 -11.931 -0.904 4.150 1.00 0.00 N ATOM 0 H ARG A 9 -5.704 -5.354 3.725 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.293 -2.603 2.793 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -7.142 -3.462 4.934 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.966 -2.279 5.471 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.587 -0.796 3.544 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.774 -1.976 3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.119 -1.329 5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.171 0.122 4.887 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.805 -2.209 3.967 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.664 0.989 5.494 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.391 1.297 5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.039 -1.814 3.702 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.741 -0.296 4.272 1.00 0.00 H new ATOM 114 N CYS A 10 -3.264 -2.426 4.271 1.00 0.00 N ATOM 115 CA CYS A 10 -1.967 -2.447 4.925 1.00 0.00 C ATOM 116 C CYS A 10 -1.578 -1.008 5.269 1.00 0.00 C ATOM 117 O CYS A 10 -1.938 -0.076 4.552 1.00 0.00 O ATOM 118 CB CYS A 10 -0.908 -3.133 4.059 1.00 0.00 C ATOM 119 SG CYS A 10 -1.576 -4.692 3.372 1.00 0.00 S ATOM 0 H CYS A 10 -3.459 -1.578 3.738 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.029 -3.034 5.841 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.603 -2.470 3.249 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.018 -3.340 4.654 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.495 -5.157 4.165 1.00 0.00 H new ATOM 125 N GLN A 11 -0.848 -0.872 6.366 1.00 0.00 N ATOM 126 CA GLN A 11 -0.406 0.438 6.814 1.00 0.00 C ATOM 127 C GLN A 11 0.996 0.737 6.278 1.00 0.00 C ATOM 128 O GLN A 11 1.802 -0.174 6.098 1.00 0.00 O ATOM 129 CB GLN A 11 -0.443 0.537 8.340 1.00 0.00 C ATOM 130 CG GLN A 11 -0.446 1.998 8.795 1.00 0.00 C ATOM 131 CD GLN A 11 -0.815 2.110 10.275 1.00 0.00 C ATOM 132 OE1 GLN A 11 -0.527 1.241 11.081 1.00 0.00 O ATOM 133 NE2 GLN A 11 -1.468 3.227 10.587 1.00 0.00 N ATOM 0 H GLN A 11 -0.551 -1.648 6.958 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.092 1.187 6.418 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.332 0.033 8.719 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.420 0.023 8.762 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.538 2.437 8.627 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.156 2.568 8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.678 3.914 9.863 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.759 3.396 11.550 1.00 0.00 H new ATOM 142 N VAL A 12 1.242 2.016 6.039 1.00 0.00 N ATOM 143 CA VAL A 12 2.533 2.447 5.528 1.00 0.00 C ATOM 144 C VAL A 12 3.468 2.744 6.702 1.00 0.00 C ATOM 145 O VAL A 12 3.214 3.656 7.488 1.00 0.00 O ATOM 146 CB VAL A 12 2.352 3.642 4.591 1.00 0.00 C ATOM 147 CG1 VAL A 12 3.694 4.315 4.294 1.00 0.00 C ATOM 148 CG2 VAL A 12 1.651 3.223 3.297 1.00 0.00 C ATOM 0 H VAL A 12 0.570 2.768 6.189 1.00 0.00 H new ATOM 0 HA VAL A 12 2.994 1.655 4.938 1.00 0.00 H new ATOM 0 HB VAL A 12 1.717 4.370 5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.536 5.161 3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.139 4.666 5.225 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.364 3.598 3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.535 4.091 2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.249 2.467 2.788 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.669 2.812 3.532 1.00 0.00 H new ATOM 158 N ALA A 13 4.531 1.957 6.784 1.00 0.00 N ATOM 159 CA ALA A 13 5.505 2.124 7.849 1.00 0.00 C ATOM 160 C ALA A 13 6.575 3.122 7.403 1.00 0.00 C ATOM 161 O ALA A 13 7.165 3.816 8.230 1.00 0.00 O ATOM 162 CB ALA A 13 6.096 0.762 8.219 1.00 0.00 C ATOM 0 H ALA A 13 4.739 1.202 6.130 1.00 0.00 H new ATOM 0 HA ALA A 13 5.030 2.527 8.744 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.827 0.887 9.018 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.299 0.099 8.557 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.584 0.328 7.346 1.00 0.00 H new ATOM 168 N PHE A 14 6.793 3.162 6.097 1.00 0.00 N ATOM 169 CA PHE A 14 7.782 4.064 5.531 1.00 0.00 C ATOM 170 C PHE A 14 7.190 4.871 4.374 1.00 0.00 C ATOM 171 O PHE A 14 6.693 4.300 3.404 1.00 0.00 O ATOM 172 CB PHE A 14 8.926 3.197 4.999 1.00 0.00 C ATOM 173 CG PHE A 14 9.331 2.059 5.937 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.585 0.923 5.990 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.438 2.183 6.718 1.00 0.00 C ATOM 176 CE1 PHE A 14 8.962 -0.134 6.861 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.814 1.126 7.589 1.00 0.00 C ATOM 178 CZ PHE A 14 10.069 -0.010 7.642 1.00 0.00 C ATOM 0 H PHE A 14 6.302 2.585 5.414 1.00 0.00 H new ATOM 0 HA PHE A 14 8.123 4.766 6.292 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.632 2.775 4.038 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.794 3.830 4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.706 0.825 5.370 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.031 3.085 6.676 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.370 -1.036 6.903 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.692 1.225 8.210 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.356 -0.814 8.304 1.00 0.00 H new ATOM 188 N SER A 15 7.262 6.187 4.514 1.00 0.00 N ATOM 189 CA SER A 15 6.739 7.078 3.493 1.00 0.00 C ATOM 190 C SER A 15 7.540 6.919 2.199 1.00 0.00 C ATOM 191 O SER A 15 8.753 6.720 2.236 1.00 0.00 O ATOM 192 CB SER A 15 6.774 8.534 3.962 1.00 0.00 C ATOM 193 OG SER A 15 8.105 9.036 4.049 1.00 0.00 O ATOM 0 H SER A 15 7.675 6.657 5.320 1.00 0.00 H new ATOM 0 HA SER A 15 5.699 6.809 3.305 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.198 9.151 3.272 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.293 8.612 4.937 1.00 0.00 H new ATOM 0 HG SER A 15 8.084 9.968 4.350 1.00 0.00 H new ATOM 199 N TYR A 16 6.829 7.012 1.085 1.00 0.00 N ATOM 200 CA TYR A 16 7.458 6.880 -0.218 1.00 0.00 C ATOM 201 C TYR A 16 6.947 7.951 -1.184 1.00 0.00 C ATOM 202 O TYR A 16 5.742 8.083 -1.389 1.00 0.00 O ATOM 203 CB TYR A 16 7.054 5.501 -0.744 1.00 0.00 C ATOM 204 CG TYR A 16 7.466 5.244 -2.195 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.657 5.672 -3.228 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.646 4.583 -2.471 1.00 0.00 C ATOM 207 CE1 TYR A 16 7.044 5.430 -4.593 1.00 0.00 C ATOM 208 CE2 TYR A 16 9.033 4.341 -3.837 1.00 0.00 C ATOM 209 CZ TYR A 16 8.213 4.776 -4.830 1.00 0.00 C ATOM 210 OH TYR A 16 8.578 4.547 -6.120 1.00 0.00 O ATOM 0 H TYR A 16 5.823 7.177 1.058 1.00 0.00 H new ATOM 0 HA TYR A 16 8.539 6.996 -0.136 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.501 4.736 -0.109 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.973 5.394 -0.660 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.733 6.189 -3.012 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.279 4.247 -1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.420 5.760 -5.411 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.954 3.826 -4.067 1.00 0.00 H new ATOM 0 HH TYR A 16 8.365 5.333 -6.665 1.00 0.00 H new ATOM 220 N LEU A 17 7.890 8.688 -1.752 1.00 0.00 N ATOM 221 CA LEU A 17 7.551 9.743 -2.692 1.00 0.00 C ATOM 222 C LEU A 17 7.596 9.186 -4.116 1.00 0.00 C ATOM 223 O LEU A 17 8.590 8.585 -4.520 1.00 0.00 O ATOM 224 CB LEU A 17 8.453 10.961 -2.479 1.00 0.00 C ATOM 225 CG LEU A 17 8.369 11.627 -1.104 1.00 0.00 C ATOM 226 CD1 LEU A 17 7.058 12.400 -0.950 1.00 0.00 C ATOM 227 CD2 LEU A 17 8.565 10.602 0.014 1.00 0.00 C ATOM 0 H LEU A 17 8.889 8.575 -1.579 1.00 0.00 H new ATOM 0 HA LEU A 17 6.534 10.094 -2.519 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.486 10.658 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.209 11.706 -3.237 1.00 0.00 H new ATOM 0 HG LEU A 17 9.181 12.350 -1.023 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.023 12.864 0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.999 13.172 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.217 11.715 -1.059 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.501 11.101 0.981 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.790 9.839 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.544 10.135 -0.089 1.00 0.00 H new ATOM 239 N PRO A 18 6.477 9.410 -4.856 1.00 0.00 N ATOM 240 CA PRO A 18 6.379 8.937 -6.226 1.00 0.00 C ATOM 241 C PRO A 18 7.218 9.805 -7.167 1.00 0.00 C ATOM 242 O PRO A 18 6.926 10.985 -7.355 1.00 0.00 O ATOM 243 CB PRO A 18 4.895 8.974 -6.550 1.00 0.00 C ATOM 244 CG PRO A 18 4.266 9.899 -5.521 1.00 0.00 C ATOM 245 CD PRO A 18 5.280 10.117 -4.410 1.00 0.00 C ATOM 0 HA PRO A 18 6.776 7.930 -6.352 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.725 9.343 -7.562 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.459 7.977 -6.497 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.991 10.849 -5.979 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.351 9.461 -5.122 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.480 11.178 -4.259 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.918 9.723 -3.461 1.00 0.00 H new ATOM 253 N GLN A 19 8.243 9.186 -7.734 1.00 0.00 N ATOM 254 CA GLN A 19 9.126 9.887 -8.650 1.00 0.00 C ATOM 255 C GLN A 19 8.503 9.948 -10.046 1.00 0.00 C ATOM 256 O GLN A 19 9.156 10.358 -11.005 1.00 0.00 O ATOM 257 CB GLN A 19 10.506 9.228 -8.694 1.00 0.00 C ATOM 258 CG GLN A 19 11.016 8.929 -7.283 1.00 0.00 C ATOM 259 CD GLN A 19 12.270 9.748 -6.968 1.00 0.00 C ATOM 260 OE1 GLN A 19 13.384 9.376 -7.296 1.00 0.00 O ATOM 261 NE2 GLN A 19 12.026 10.881 -6.315 1.00 0.00 N ATOM 0 H GLN A 19 8.482 8.207 -7.577 1.00 0.00 H new ATOM 0 HA GLN A 19 9.258 10.906 -8.287 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.453 8.303 -9.269 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.210 9.883 -9.208 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.237 9.156 -6.555 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.239 7.866 -7.191 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.068 11.133 -6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.797 11.498 -6.059 1.00 0.00 H new ATOM 270 N ASN A 20 7.246 9.533 -10.117 1.00 0.00 N ATOM 271 CA ASN A 20 6.527 9.534 -11.380 1.00 0.00 C ATOM 272 C ASN A 20 5.064 9.904 -11.128 1.00 0.00 C ATOM 273 O ASN A 20 4.599 9.873 -9.989 1.00 0.00 O ATOM 274 CB ASN A 20 6.560 8.152 -12.034 1.00 0.00 C ATOM 275 CG ASN A 20 7.999 7.705 -12.301 1.00 0.00 C ATOM 276 OD1 ASN A 20 8.826 8.453 -12.796 1.00 0.00 O ATOM 277 ND2 ASN A 20 8.250 6.448 -11.948 1.00 0.00 N ATOM 0 H ASN A 20 6.707 9.194 -9.320 1.00 0.00 H new ATOM 0 HA ASN A 20 7.007 10.256 -12.041 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.065 7.428 -11.387 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.003 8.176 -12.971 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.181 6.056 -12.087 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.511 5.876 -11.538 1.00 0.00 H new ATOM 284 N ASP A 21 4.379 10.246 -12.209 1.00 0.00 N ATOM 285 CA ASP A 21 2.978 10.621 -12.120 1.00 0.00 C ATOM 286 C ASP A 21 2.108 9.378 -12.313 1.00 0.00 C ATOM 287 O ASP A 21 1.034 9.454 -12.907 1.00 0.00 O ATOM 288 CB ASP A 21 2.608 11.631 -13.208 1.00 0.00 C ATOM 289 CG ASP A 21 2.921 13.090 -12.870 1.00 0.00 C ATOM 290 OD1 ASP A 21 4.116 13.375 -12.635 1.00 0.00 O ATOM 291 OD2 ASP A 21 1.959 13.888 -12.853 1.00 0.00 O ATOM 0 H ASP A 21 4.768 10.271 -13.152 1.00 0.00 H new ATOM 0 HA ASP A 21 2.811 11.069 -11.140 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.135 11.365 -14.124 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.542 11.543 -13.417 1.00 0.00 H new ATOM 296 N ASP A 22 2.605 8.262 -11.801 1.00 0.00 N ATOM 297 CA ASP A 22 1.887 7.003 -11.910 1.00 0.00 C ATOM 298 C ASP A 22 2.245 6.111 -10.720 1.00 0.00 C ATOM 299 O ASP A 22 2.088 4.893 -10.783 1.00 0.00 O ATOM 300 CB ASP A 22 2.270 6.259 -13.191 1.00 0.00 C ATOM 301 CG ASP A 22 1.111 5.561 -13.904 1.00 0.00 C ATOM 302 OD1 ASP A 22 0.802 4.418 -13.501 1.00 0.00 O ATOM 303 OD2 ASP A 22 0.560 6.184 -14.837 1.00 0.00 O ATOM 0 H ASP A 22 3.497 8.203 -11.309 1.00 0.00 H new ATOM 0 HA ASP A 22 0.820 7.225 -11.927 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.728 6.967 -13.882 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.028 5.515 -12.948 1.00 0.00 H new ATOM 308 N GLU A 23 2.720 6.753 -9.662 1.00 0.00 N ATOM 309 CA GLU A 23 3.102 6.033 -8.459 1.00 0.00 C ATOM 310 C GLU A 23 2.271 6.513 -7.267 1.00 0.00 C ATOM 311 O GLU A 23 1.576 7.524 -7.357 1.00 0.00 O ATOM 312 CB GLU A 23 4.599 6.185 -8.182 1.00 0.00 C ATOM 313 CG GLU A 23 5.399 5.075 -8.865 1.00 0.00 C ATOM 314 CD GLU A 23 6.551 4.602 -7.976 1.00 0.00 C ATOM 315 OE1 GLU A 23 6.245 4.024 -6.911 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.711 4.828 -8.383 1.00 0.00 O ATOM 0 H GLU A 23 2.849 7.764 -9.613 1.00 0.00 H new ATOM 0 HA GLU A 23 2.901 4.973 -8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.941 7.157 -8.538 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.778 6.158 -7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.742 4.235 -9.092 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.793 5.437 -9.815 1.00 0.00 H new ATOM 323 N LEU A 24 2.371 5.765 -6.178 1.00 0.00 N ATOM 324 CA LEU A 24 1.638 6.101 -4.970 1.00 0.00 C ATOM 325 C LEU A 24 2.582 6.785 -3.979 1.00 0.00 C ATOM 326 O LEU A 24 3.780 6.503 -3.961 1.00 0.00 O ATOM 327 CB LEU A 24 0.943 4.862 -4.402 1.00 0.00 C ATOM 328 CG LEU A 24 -0.463 4.579 -4.934 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.147 3.480 -4.118 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.299 5.860 -4.984 1.00 0.00 C ATOM 0 H LEU A 24 2.949 4.927 -6.107 1.00 0.00 H new ATOM 0 HA LEU A 24 0.841 6.810 -5.194 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.569 3.993 -4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.886 4.966 -3.319 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.374 4.213 -5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.145 3.298 -4.517 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.560 2.564 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.224 3.794 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.294 5.631 -5.366 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.383 6.279 -3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.816 6.584 -5.641 1.00 0.00 H new ATOM 342 N GLU A 25 2.008 7.670 -3.178 1.00 0.00 N ATOM 343 CA GLU A 25 2.784 8.396 -2.187 1.00 0.00 C ATOM 344 C GLU A 25 2.525 7.828 -0.790 1.00 0.00 C ATOM 345 O GLU A 25 1.535 8.178 -0.147 1.00 0.00 O ATOM 346 CB GLU A 25 2.473 9.894 -2.236 1.00 0.00 C ATOM 347 CG GLU A 25 3.239 10.649 -1.148 1.00 0.00 C ATOM 348 CD GLU A 25 2.858 12.131 -1.137 1.00 0.00 C ATOM 349 OE1 GLU A 25 2.562 12.649 -2.235 1.00 0.00 O ATOM 350 OE2 GLU A 25 2.871 12.711 -0.030 1.00 0.00 O ATOM 0 H GLU A 25 1.015 7.901 -3.195 1.00 0.00 H new ATOM 0 HA GLU A 25 3.842 8.270 -2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.738 10.292 -3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.402 10.051 -2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.025 10.208 -0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.311 10.547 -1.316 1.00 0.00 H new ATOM 357 N LEU A 26 3.431 6.962 -0.360 1.00 0.00 N ATOM 358 CA LEU A 26 3.312 6.342 0.949 1.00 0.00 C ATOM 359 C LEU A 26 3.671 7.366 2.027 1.00 0.00 C ATOM 360 O LEU A 26 4.623 8.130 1.871 1.00 0.00 O ATOM 361 CB LEU A 26 4.148 5.063 1.013 1.00 0.00 C ATOM 362 CG LEU A 26 4.010 4.111 -0.177 1.00 0.00 C ATOM 363 CD1 LEU A 26 5.067 3.006 -0.120 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.592 3.544 -0.264 1.00 0.00 C ATOM 0 H LEU A 26 4.251 6.675 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 26 2.283 6.032 1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.197 5.343 1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.878 4.521 1.919 1.00 0.00 H new ATOM 0 HG LEU A 26 4.186 4.678 -1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.947 2.343 -0.977 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.061 3.452 -0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.947 2.435 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.521 2.871 -1.118 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.363 2.996 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.880 4.361 -0.386 1.00 0.00 H new ATOM 376 N LYS A 27 2.891 7.349 3.098 1.00 0.00 N ATOM 377 CA LYS A 27 3.115 8.267 4.202 1.00 0.00 C ATOM 378 C LYS A 27 2.922 7.523 5.525 1.00 0.00 C ATOM 379 O LYS A 27 1.827 7.047 5.819 1.00 0.00 O ATOM 380 CB LYS A 27 2.227 9.505 4.058 1.00 0.00 C ATOM 381 CG LYS A 27 3.009 10.673 3.454 1.00 0.00 C ATOM 382 CD LYS A 27 3.138 11.823 4.455 1.00 0.00 C ATOM 383 CE LYS A 27 4.504 11.801 5.142 1.00 0.00 C ATOM 384 NZ LYS A 27 4.869 13.155 5.614 1.00 0.00 N ATOM 0 H LYS A 27 2.103 6.714 3.225 1.00 0.00 H new ATOM 0 HA LYS A 27 4.141 8.635 4.189 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.370 9.271 3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.835 9.791 5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.001 10.335 3.154 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.506 11.025 2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.001 12.774 3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.349 11.748 5.204 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.483 11.109 5.984 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.261 11.435 4.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.799 13.122 6.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.909 13.806 4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.156 13.490 6.292 1.00 0.00 H new ATOM 398 N VAL A 28 4.003 7.445 6.286 1.00 0.00 N ATOM 399 CA VAL A 28 3.967 6.767 7.571 1.00 0.00 C ATOM 400 C VAL A 28 2.611 7.014 8.235 1.00 0.00 C ATOM 401 O VAL A 28 2.354 8.104 8.744 1.00 0.00 O ATOM 402 CB VAL A 28 5.147 7.219 8.434 1.00 0.00 C ATOM 403 CG1 VAL A 28 5.104 6.555 9.812 1.00 0.00 C ATOM 404 CG2 VAL A 28 6.478 6.940 7.733 1.00 0.00 C ATOM 0 H VAL A 28 4.910 7.840 6.038 1.00 0.00 H new ATOM 0 HA VAL A 28 4.072 5.690 7.438 1.00 0.00 H new ATOM 0 HB VAL A 28 5.063 8.296 8.578 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.953 6.893 10.405 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.177 6.826 10.318 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.151 5.472 9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.300 7.271 8.368 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.573 5.871 7.544 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.511 7.480 6.786 1.00 0.00 H new ATOM 414 N GLY A 29 1.779 5.983 8.209 1.00 0.00 N ATOM 415 CA GLY A 29 0.456 6.075 8.802 1.00 0.00 C ATOM 416 C GLY A 29 -0.624 6.168 7.722 1.00 0.00 C ATOM 417 O GLY A 29 -1.631 6.851 7.903 1.00 0.00 O ATOM 0 H GLY A 29 1.996 5.080 7.787 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.273 5.203 9.430 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.404 6.950 9.450 1.00 0.00 H new ATOM 421 N ASP A 30 -0.378 5.470 6.623 1.00 0.00 N ATOM 422 CA ASP A 30 -1.317 5.465 5.514 1.00 0.00 C ATOM 423 C ASP A 30 -1.781 4.031 5.251 1.00 0.00 C ATOM 424 O ASP A 30 -0.974 3.103 5.252 1.00 0.00 O ATOM 425 CB ASP A 30 -0.662 5.992 4.235 1.00 0.00 C ATOM 426 CG ASP A 30 -0.498 7.512 4.172 1.00 0.00 C ATOM 427 OD1 ASP A 30 -0.411 8.119 5.261 1.00 0.00 O ATOM 428 OD2 ASP A 30 -0.462 8.032 3.036 1.00 0.00 O ATOM 0 H ASP A 30 0.458 4.904 6.477 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.157 6.107 5.780 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.320 5.531 4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.257 5.670 3.381 1.00 0.00 H new ATOM 433 N ILE A 31 -3.081 3.895 5.032 1.00 0.00 N ATOM 434 CA ILE A 31 -3.662 2.590 4.767 1.00 0.00 C ATOM 435 C ILE A 31 -4.042 2.495 3.288 1.00 0.00 C ATOM 436 O ILE A 31 -4.895 3.244 2.814 1.00 0.00 O ATOM 437 CB ILE A 31 -4.829 2.320 5.720 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.548 2.899 7.108 1.00 0.00 C ATOM 439 CG2 ILE A 31 -5.156 0.827 5.778 1.00 0.00 C ATOM 440 CD1 ILE A 31 -4.849 4.399 7.148 1.00 0.00 C ATOM 0 H ILE A 31 -3.748 4.667 5.033 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.933 1.803 4.960 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.712 2.828 5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.156 2.383 7.851 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.505 2.727 7.374 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.989 0.663 6.462 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.429 0.475 4.783 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.283 0.277 6.130 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.641 4.785 8.146 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.222 4.915 6.421 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.899 4.566 6.906 1.00 0.00 H new ATOM 452 N ILE A 32 -3.390 1.569 2.601 1.00 0.00 N ATOM 453 CA ILE A 32 -3.648 1.367 1.186 1.00 0.00 C ATOM 454 C ILE A 32 -4.483 0.098 1.000 1.00 0.00 C ATOM 455 O ILE A 32 -4.006 -1.006 1.260 1.00 0.00 O ATOM 456 CB ILE A 32 -2.337 1.362 0.397 1.00 0.00 C ATOM 457 CG1 ILE A 32 -1.838 2.788 0.153 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.485 0.576 -0.907 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.323 2.878 0.345 1.00 0.00 C ATOM 0 H ILE A 32 -2.683 0.950 2.998 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.232 2.195 0.784 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.581 0.854 0.995 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.099 3.101 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.337 3.474 0.838 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.539 0.588 -1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.761 -0.454 -0.682 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.261 1.033 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.006 3.902 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.068 2.588 1.364 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.173 2.209 -0.358 1.00 0.00 H new ATOM 471 N GLU A 33 -5.713 0.298 0.552 1.00 0.00 N ATOM 472 CA GLU A 33 -6.618 -0.817 0.329 1.00 0.00 C ATOM 473 C GLU A 33 -6.076 -1.728 -0.774 1.00 0.00 C ATOM 474 O GLU A 33 -6.544 -1.679 -1.911 1.00 0.00 O ATOM 475 CB GLU A 33 -8.025 -0.321 -0.012 1.00 0.00 C ATOM 476 CG GLU A 33 -8.993 -0.580 1.145 1.00 0.00 C ATOM 477 CD GLU A 33 -10.429 -0.238 0.745 1.00 0.00 C ATOM 478 OE1 GLU A 33 -10.727 0.975 0.684 1.00 0.00 O ATOM 479 OE2 GLU A 33 -11.197 -1.196 0.510 1.00 0.00 O ATOM 0 H GLU A 33 -6.105 1.215 0.337 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.685 -1.395 1.251 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.995 0.746 -0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.384 -0.823 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.935 -1.626 1.445 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.700 0.017 2.009 1.00 0.00 H new ATOM 486 N VAL A 34 -5.097 -2.538 -0.400 1.00 0.00 N ATOM 487 CA VAL A 34 -4.486 -3.459 -1.344 1.00 0.00 C ATOM 488 C VAL A 34 -5.575 -4.080 -2.222 1.00 0.00 C ATOM 489 O VAL A 34 -6.413 -4.837 -1.735 1.00 0.00 O ATOM 490 CB VAL A 34 -3.656 -4.503 -0.594 1.00 0.00 C ATOM 491 CG1 VAL A 34 -3.064 -5.531 -1.560 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.557 -3.836 0.237 1.00 0.00 C ATOM 0 H VAL A 34 -4.711 -2.576 0.544 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.799 -2.929 -2.004 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.321 -5.030 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.479 -6.261 -1.001 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.870 -6.040 -2.089 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.421 -5.025 -2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.982 -4.600 0.760 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.896 -3.271 -0.420 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.009 -3.161 0.964 1.00 0.00 H new ATOM 502 N VAL A 35 -5.527 -3.736 -3.500 1.00 0.00 N ATOM 503 CA VAL A 35 -6.498 -4.251 -4.450 1.00 0.00 C ATOM 504 C VAL A 35 -5.925 -5.491 -5.139 1.00 0.00 C ATOM 505 O VAL A 35 -6.622 -6.489 -5.309 1.00 0.00 O ATOM 506 CB VAL A 35 -6.899 -3.151 -5.436 1.00 0.00 C ATOM 507 CG1 VAL A 35 -7.545 -1.971 -4.707 1.00 0.00 C ATOM 508 CG2 VAL A 35 -5.698 -2.693 -6.265 1.00 0.00 C ATOM 0 H VAL A 35 -4.831 -3.107 -3.900 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.409 -4.557 -3.936 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.638 -3.567 -6.120 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.821 -1.203 -5.430 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.437 -2.312 -4.182 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.838 -1.556 -3.989 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.011 -1.911 -6.957 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.926 -2.303 -5.602 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.301 -3.538 -6.827 1.00 0.00 H new ATOM 518 N GLY A 36 -4.659 -5.386 -5.518 1.00 0.00 N ATOM 519 CA GLY A 36 -3.984 -6.486 -6.185 1.00 0.00 C ATOM 520 C GLY A 36 -2.467 -6.379 -6.020 1.00 0.00 C ATOM 521 O GLY A 36 -1.983 -5.866 -5.012 1.00 0.00 O ATOM 0 H GLY A 36 -4.084 -4.556 -5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.332 -7.434 -5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.239 -6.485 -7.245 1.00 0.00 H new ATOM 525 N GLU A 37 -1.758 -6.872 -7.025 1.00 0.00 N ATOM 526 CA GLU A 37 -0.306 -6.839 -7.004 1.00 0.00 C ATOM 527 C GLU A 37 0.237 -6.474 -8.387 1.00 0.00 C ATOM 528 O GLU A 37 -0.223 -7.003 -9.398 1.00 0.00 O ATOM 529 CB GLU A 37 0.267 -8.174 -6.525 1.00 0.00 C ATOM 530 CG GLU A 37 1.751 -8.291 -6.875 1.00 0.00 C ATOM 531 CD GLU A 37 1.973 -9.317 -7.989 1.00 0.00 C ATOM 532 OE1 GLU A 37 1.222 -10.316 -7.998 1.00 0.00 O ATOM 533 OE2 GLU A 37 2.888 -9.078 -8.806 1.00 0.00 O ATOM 0 H GLU A 37 -2.163 -7.297 -7.859 1.00 0.00 H new ATOM 0 HA GLU A 37 0.010 -6.072 -6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.136 -8.264 -5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.284 -8.995 -6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.132 -7.319 -7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.315 -8.583 -5.989 1.00 0.00 H new ATOM 540 N VAL A 38 1.207 -5.571 -8.388 1.00 0.00 N ATOM 541 CA VAL A 38 1.817 -5.130 -9.630 1.00 0.00 C ATOM 542 C VAL A 38 2.928 -6.106 -10.024 1.00 0.00 C ATOM 543 O VAL A 38 2.845 -6.759 -11.063 1.00 0.00 O ATOM 544 CB VAL A 38 2.311 -3.689 -9.487 1.00 0.00 C ATOM 545 CG1 VAL A 38 2.677 -3.096 -10.850 1.00 0.00 C ATOM 546 CG2 VAL A 38 1.273 -2.821 -8.773 1.00 0.00 C ATOM 0 H VAL A 38 1.585 -5.133 -7.548 1.00 0.00 H new ATOM 0 HA VAL A 38 1.084 -5.130 -10.436 1.00 0.00 H new ATOM 0 HB VAL A 38 3.213 -3.704 -8.875 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.025 -2.071 -10.719 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.467 -3.692 -11.306 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.800 -3.102 -11.497 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.650 -1.802 -8.685 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.346 -2.817 -9.346 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.083 -3.225 -7.779 1.00 0.00 H new ATOM 556 N GLU A 39 3.940 -6.175 -9.172 1.00 0.00 N ATOM 557 CA GLU A 39 5.066 -7.060 -9.418 1.00 0.00 C ATOM 558 C GLU A 39 5.836 -7.313 -8.120 1.00 0.00 C ATOM 559 O GLU A 39 5.663 -6.588 -7.141 1.00 0.00 O ATOM 560 CB GLU A 39 5.986 -6.491 -10.500 1.00 0.00 C ATOM 561 CG GLU A 39 6.372 -5.044 -10.185 1.00 0.00 C ATOM 562 CD GLU A 39 6.967 -4.356 -11.415 1.00 0.00 C ATOM 563 OE1 GLU A 39 7.941 -4.915 -11.963 1.00 0.00 O ATOM 564 OE2 GLU A 39 6.434 -3.286 -11.780 1.00 0.00 O ATOM 0 H GLU A 39 4.004 -5.633 -8.311 1.00 0.00 H new ATOM 0 HA GLU A 39 4.681 -8.013 -9.781 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.885 -7.103 -10.577 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.486 -6.536 -11.468 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.494 -4.495 -9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.094 -5.026 -9.369 1.00 0.00 H new ATOM 571 N GLU A 40 6.670 -8.342 -8.155 1.00 0.00 N ATOM 572 CA GLU A 40 7.467 -8.699 -6.993 1.00 0.00 C ATOM 573 C GLU A 40 7.989 -7.438 -6.301 1.00 0.00 C ATOM 574 O GLU A 40 8.558 -6.561 -6.948 1.00 0.00 O ATOM 575 CB GLU A 40 8.618 -9.627 -7.383 1.00 0.00 C ATOM 576 CG GLU A 40 8.389 -11.041 -6.845 1.00 0.00 C ATOM 577 CD GLU A 40 9.185 -12.070 -7.650 1.00 0.00 C ATOM 578 OE1 GLU A 40 10.425 -11.921 -7.693 1.00 0.00 O ATOM 579 OE2 GLU A 40 8.535 -12.983 -8.204 1.00 0.00 O ATOM 0 H GLU A 40 6.811 -8.940 -8.969 1.00 0.00 H new ATOM 0 HA GLU A 40 6.831 -9.238 -6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.713 -9.658 -8.468 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.556 -9.233 -6.992 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.684 -11.087 -5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.327 -11.283 -6.888 1.00 0.00 H new ATOM 586 N GLY A 41 7.777 -7.389 -4.994 1.00 0.00 N ATOM 587 CA GLY A 41 8.219 -6.250 -4.206 1.00 0.00 C ATOM 588 C GLY A 41 7.398 -5.003 -4.537 1.00 0.00 C ATOM 589 O GLY A 41 7.791 -3.888 -4.196 1.00 0.00 O ATOM 0 H GLY A 41 7.305 -8.119 -4.461 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.126 -6.480 -3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.274 -6.057 -4.399 1.00 0.00 H new ATOM 593 N TRP A 42 6.273 -5.232 -5.198 1.00 0.00 N ATOM 594 CA TRP A 42 5.393 -4.140 -5.579 1.00 0.00 C ATOM 595 C TRP A 42 3.958 -4.670 -5.586 1.00 0.00 C ATOM 596 O TRP A 42 3.674 -5.695 -6.203 1.00 0.00 O ATOM 597 CB TRP A 42 5.815 -3.538 -6.921 1.00 0.00 C ATOM 598 CG TRP A 42 7.135 -2.767 -6.869 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.381 -3.262 -6.870 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.292 -1.333 -6.808 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.324 -2.256 -6.815 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.641 -1.047 -6.776 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.325 -0.313 -6.781 1.00 0.00 C ATOM 604 CZ2 TRP A 42 9.147 0.258 -6.715 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.846 0.985 -6.720 1.00 0.00 C ATOM 606 CH2 TRP A 42 8.202 1.291 -6.687 1.00 0.00 C ATOM 0 H TRP A 42 5.950 -6.158 -5.480 1.00 0.00 H new ATOM 0 HA TRP A 42 5.459 -3.323 -4.861 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.902 -4.339 -7.655 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.029 -2.869 -7.271 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.617 -4.315 -6.909 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.337 -2.378 -6.805 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.264 -0.515 -6.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.208 0.457 -6.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.145 1.807 -6.697 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.525 2.321 -6.640 1.00 0.00 H new ATOM 617 N TRP A 43 3.090 -3.947 -4.893 1.00 0.00 N ATOM 618 CA TRP A 43 1.691 -4.332 -4.812 1.00 0.00 C ATOM 619 C TRP A 43 0.850 -3.172 -5.351 1.00 0.00 C ATOM 620 O TRP A 43 1.361 -2.072 -5.554 1.00 0.00 O ATOM 621 CB TRP A 43 1.314 -4.731 -3.385 1.00 0.00 C ATOM 622 CG TRP A 43 1.834 -6.108 -2.966 1.00 0.00 C ATOM 623 CD1 TRP A 43 2.383 -7.053 -3.741 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.831 -6.659 -1.632 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.732 -8.169 -3.007 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.386 -7.921 -1.684 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.373 -6.109 -0.421 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.536 -8.740 -0.558 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.531 -6.939 0.695 1.00 0.00 C ATOM 630 CH2 TRP A 43 2.088 -8.212 0.659 1.00 0.00 C ATOM 0 H TRP A 43 3.329 -3.097 -4.383 1.00 0.00 H new ATOM 0 HA TRP A 43 1.498 -5.215 -5.421 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.702 -3.982 -2.695 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.228 -4.720 -3.290 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.534 -6.954 -4.806 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.164 -9.019 -3.369 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.934 -5.124 -0.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.973 -9.725 -0.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.197 -6.564 1.651 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.175 -8.792 1.566 1.00 0.00 H new ATOM 641 N GLU A 44 -0.425 -3.459 -5.566 1.00 0.00 N ATOM 642 CA GLU A 44 -1.342 -2.454 -6.077 1.00 0.00 C ATOM 643 C GLU A 44 -2.460 -2.192 -5.065 1.00 0.00 C ATOM 644 O GLU A 44 -3.081 -3.128 -4.566 1.00 0.00 O ATOM 645 CB GLU A 44 -1.916 -2.873 -7.432 1.00 0.00 C ATOM 646 CG GLU A 44 -2.580 -1.688 -8.136 1.00 0.00 C ATOM 647 CD GLU A 44 -3.322 -2.144 -9.394 1.00 0.00 C ATOM 648 OE1 GLU A 44 -3.839 -3.282 -9.367 1.00 0.00 O ATOM 649 OE2 GLU A 44 -3.356 -1.344 -10.354 1.00 0.00 O ATOM 0 H GLU A 44 -0.845 -4.373 -5.396 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.788 -1.527 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.120 -3.274 -8.060 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.644 -3.672 -7.291 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.277 -1.200 -7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.825 -0.949 -8.403 1.00 0.00 H new ATOM 656 N GLY A 45 -2.682 -0.914 -4.794 1.00 0.00 N ATOM 657 CA GLY A 45 -3.714 -0.518 -3.851 1.00 0.00 C ATOM 658 C GLY A 45 -4.165 0.922 -4.106 1.00 0.00 C ATOM 659 O GLY A 45 -3.764 1.537 -5.093 1.00 0.00 O ATOM 0 H GLY A 45 -2.165 -0.140 -5.211 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.567 -1.191 -3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.336 -0.610 -2.833 1.00 0.00 H new ATOM 663 N VAL A 46 -4.994 1.418 -3.199 1.00 0.00 N ATOM 664 CA VAL A 46 -5.504 2.773 -3.313 1.00 0.00 C ATOM 665 C VAL A 46 -5.028 3.595 -2.113 1.00 0.00 C ATOM 666 O VAL A 46 -4.879 3.065 -1.013 1.00 0.00 O ATOM 667 CB VAL A 46 -7.027 2.749 -3.455 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.644 4.061 -2.965 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.438 2.455 -4.899 1.00 0.00 C ATOM 0 H VAL A 46 -5.325 0.905 -2.382 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.115 3.253 -4.211 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.410 1.944 -2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.727 4.018 -3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.393 4.211 -1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.251 4.890 -3.554 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.525 2.444 -4.973 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.038 3.228 -5.556 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.044 1.484 -5.199 1.00 0.00 H new ATOM 679 N LEU A 47 -4.804 4.877 -2.365 1.00 0.00 N ATOM 680 CA LEU A 47 -4.349 5.777 -1.320 1.00 0.00 C ATOM 681 C LEU A 47 -5.257 7.007 -1.280 1.00 0.00 C ATOM 682 O LEU A 47 -4.987 8.004 -1.948 1.00 0.00 O ATOM 683 CB LEU A 47 -2.868 6.111 -1.508 1.00 0.00 C ATOM 684 CG LEU A 47 -2.270 7.099 -0.504 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.353 6.549 0.922 1.00 0.00 C ATOM 686 CD2 LEU A 47 -0.839 7.475 -0.890 1.00 0.00 C ATOM 0 H LEU A 47 -4.929 5.313 -3.278 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.422 5.296 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.298 5.183 -1.458 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.732 6.516 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.862 8.014 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.921 7.270 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.396 6.373 1.184 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.801 5.611 0.983 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.438 8.178 -0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.220 6.578 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.838 7.937 -1.877 1.00 0.00 H new ATOM 698 N ASN A 48 -6.317 6.896 -0.492 1.00 0.00 N ATOM 699 CA ASN A 48 -7.267 7.987 -0.357 1.00 0.00 C ATOM 700 C ASN A 48 -7.930 8.251 -1.711 1.00 0.00 C ATOM 701 O ASN A 48 -8.029 9.397 -2.145 1.00 0.00 O ATOM 702 CB ASN A 48 -6.568 9.275 0.085 1.00 0.00 C ATOM 703 CG ASN A 48 -6.622 9.433 1.606 1.00 0.00 C ATOM 704 OD1 ASN A 48 -7.648 9.744 2.188 1.00 0.00 O ATOM 705 ND2 ASN A 48 -5.462 9.202 2.216 1.00 0.00 N ATOM 0 H ASN A 48 -6.539 6.067 0.059 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.004 7.701 0.393 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.530 9.262 -0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.043 10.133 -0.391 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.395 9.282 3.231 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.640 8.945 1.669 1.00 0.00 H new ATOM 712 N GLY A 49 -8.366 7.170 -2.340 1.00 0.00 N ATOM 713 CA GLY A 49 -9.017 7.270 -3.635 1.00 0.00 C ATOM 714 C GLY A 49 -8.006 7.101 -4.771 1.00 0.00 C ATOM 715 O GLY A 49 -8.323 6.517 -5.807 1.00 0.00 O ATOM 0 H GLY A 49 -8.281 6.220 -1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.792 6.508 -3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.511 8.237 -3.724 1.00 0.00 H new ATOM 719 N LYS A 50 -6.811 7.622 -4.539 1.00 0.00 N ATOM 720 CA LYS A 50 -5.751 7.536 -5.530 1.00 0.00 C ATOM 721 C LYS A 50 -5.361 6.070 -5.727 1.00 0.00 C ATOM 722 O LYS A 50 -5.857 5.191 -5.023 1.00 0.00 O ATOM 723 CB LYS A 50 -4.578 8.437 -5.139 1.00 0.00 C ATOM 724 CG LYS A 50 -3.939 9.071 -6.376 1.00 0.00 C ATOM 725 CD LYS A 50 -3.656 10.557 -6.146 1.00 0.00 C ATOM 726 CE LYS A 50 -2.522 10.749 -5.137 1.00 0.00 C ATOM 727 NZ LYS A 50 -1.339 11.348 -5.794 1.00 0.00 N ATOM 0 H LYS A 50 -6.552 8.106 -3.679 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.100 7.906 -6.494 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.925 9.219 -4.463 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.832 7.855 -4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.010 8.553 -6.616 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.601 8.952 -7.233 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.391 11.031 -7.091 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.558 11.051 -5.784 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.857 11.391 -4.323 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.253 9.789 -4.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.579 11.471 -5.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.010 10.721 -6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.595 12.273 -6.194 1.00 0.00 H new ATOM 741 N THR A 51 -4.476 5.850 -6.689 1.00 0.00 N ATOM 742 CA THR A 51 -4.014 4.506 -6.988 1.00 0.00 C ATOM 743 C THR A 51 -2.628 4.549 -7.634 1.00 0.00 C ATOM 744 O THR A 51 -2.219 5.581 -8.164 1.00 0.00 O ATOM 745 CB THR A 51 -5.070 3.826 -7.861 1.00 0.00 C ATOM 746 OG1 THR A 51 -6.189 3.668 -6.993 1.00 0.00 O ATOM 747 CG2 THR A 51 -4.686 2.393 -8.237 1.00 0.00 C ATOM 0 H THR A 51 -4.067 6.581 -7.271 1.00 0.00 H new ATOM 0 HA THR A 51 -3.896 3.918 -6.078 1.00 0.00 H new ATOM 0 HB THR A 51 -5.221 4.411 -8.768 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.938 3.279 -7.492 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.470 1.957 -8.857 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.748 2.401 -8.791 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.567 1.799 -7.331 1.00 0.00 H new ATOM 755 N GLY A 52 -1.944 3.417 -7.568 1.00 0.00 N ATOM 756 CA GLY A 52 -0.612 3.313 -8.140 1.00 0.00 C ATOM 757 C GLY A 52 0.104 2.057 -7.638 1.00 0.00 C ATOM 758 O GLY A 52 -0.488 1.240 -6.936 1.00 0.00 O ATOM 0 H GLY A 52 -2.287 2.563 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.680 3.287 -9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.030 4.197 -7.878 1.00 0.00 H new ATOM 762 N MET A 53 1.368 1.944 -8.018 1.00 0.00 N ATOM 763 CA MET A 53 2.171 0.802 -7.615 1.00 0.00 C ATOM 764 C MET A 53 3.183 1.196 -6.538 1.00 0.00 C ATOM 765 O MET A 53 3.970 2.122 -6.729 1.00 0.00 O ATOM 766 CB MET A 53 2.912 0.244 -8.832 1.00 0.00 C ATOM 767 CG MET A 53 3.555 1.369 -9.646 1.00 0.00 C ATOM 768 SD MET A 53 4.659 0.684 -10.870 1.00 0.00 S ATOM 769 CE MET A 53 6.142 0.519 -9.890 1.00 0.00 C ATOM 0 H MET A 53 1.856 2.624 -8.601 1.00 0.00 H new ATOM 0 HA MET A 53 1.507 0.042 -7.203 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.680 -0.457 -8.505 1.00 0.00 H new ATOM 0 HB3 MET A 53 2.218 -0.314 -9.461 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.782 1.963 -10.134 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.103 2.040 -8.985 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.016 0.592 -10.537 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.176 1.313 -9.144 1.00 0.00 H new ATOM 0 HE3 MET A 53 6.141 -0.449 -9.389 1.00 0.00 H new ATOM 779 N PHE A 54 3.130 0.474 -5.429 1.00 0.00 N ATOM 780 CA PHE A 54 4.032 0.736 -4.320 1.00 0.00 C ATOM 781 C PHE A 54 4.696 -0.554 -3.836 1.00 0.00 C ATOM 782 O PHE A 54 4.177 -1.646 -4.062 1.00 0.00 O ATOM 783 CB PHE A 54 3.188 1.319 -3.185 1.00 0.00 C ATOM 784 CG PHE A 54 2.300 0.292 -2.480 1.00 0.00 C ATOM 785 CD1 PHE A 54 1.133 -0.106 -3.054 1.00 0.00 C ATOM 786 CD2 PHE A 54 2.677 -0.222 -1.278 1.00 0.00 C ATOM 787 CE1 PHE A 54 0.309 -1.059 -2.399 1.00 0.00 C ATOM 788 CE2 PHE A 54 1.852 -1.175 -0.624 1.00 0.00 C ATOM 789 CZ PHE A 54 0.686 -1.573 -1.198 1.00 0.00 C ATOM 0 H PHE A 54 2.476 -0.293 -5.274 1.00 0.00 H new ATOM 0 HA PHE A 54 4.819 1.421 -4.635 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.851 1.776 -2.450 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.559 2.114 -3.585 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.833 0.303 -4.008 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.603 0.095 -0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.617 -1.376 -2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.151 -1.584 0.330 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.059 -2.298 -0.700 1.00 0.00 H new ATOM 799 N PRO A 55 5.864 -0.382 -3.161 1.00 0.00 N ATOM 800 CA PRO A 55 6.604 -1.520 -2.642 1.00 0.00 C ATOM 801 C PRO A 55 5.927 -2.092 -1.395 1.00 0.00 C ATOM 802 O PRO A 55 5.581 -1.350 -0.476 1.00 0.00 O ATOM 803 CB PRO A 55 8.001 -0.989 -2.369 1.00 0.00 C ATOM 804 CG PRO A 55 7.867 0.524 -2.304 1.00 0.00 C ATOM 805 CD PRO A 55 6.508 0.896 -2.874 1.00 0.00 C ATOM 0 HA PRO A 55 6.639 -2.354 -3.343 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.394 -1.387 -1.433 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.693 -1.286 -3.157 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.957 0.871 -1.275 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.664 1.003 -2.873 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.927 1.481 -2.162 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.609 1.500 -3.776 1.00 0.00 H new ATOM 813 N SER A 56 5.758 -3.406 -1.402 1.00 0.00 N ATOM 814 CA SER A 56 5.129 -4.086 -0.283 1.00 0.00 C ATOM 815 C SER A 56 6.177 -4.427 0.778 1.00 0.00 C ATOM 816 O SER A 56 5.848 -4.989 1.822 1.00 0.00 O ATOM 817 CB SER A 56 4.408 -5.354 -0.744 1.00 0.00 C ATOM 818 OG SER A 56 5.304 -6.297 -1.325 1.00 0.00 O ATOM 0 H SER A 56 6.046 -4.018 -2.165 1.00 0.00 H new ATOM 0 HA SER A 56 4.387 -3.416 0.151 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.901 -5.812 0.105 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.639 -5.090 -1.470 1.00 0.00 H new ATOM 0 HG SER A 56 4.798 -7.069 -1.655 1.00 0.00 H new ATOM 824 N ASN A 57 7.417 -4.073 0.475 1.00 0.00 N ATOM 825 CA ASN A 57 8.515 -4.334 1.390 1.00 0.00 C ATOM 826 C ASN A 57 8.777 -3.086 2.235 1.00 0.00 C ATOM 827 O ASN A 57 9.872 -2.913 2.769 1.00 0.00 O ATOM 828 CB ASN A 57 9.799 -4.668 0.628 1.00 0.00 C ATOM 829 CG ASN A 57 10.347 -6.033 1.048 1.00 0.00 C ATOM 830 OD1 ASN A 57 10.335 -6.405 2.210 1.00 0.00 O ATOM 831 ND2 ASN A 57 10.827 -6.757 0.041 1.00 0.00 N ATOM 0 H ASN A 57 7.686 -3.607 -0.392 1.00 0.00 H new ATOM 0 HA ASN A 57 8.237 -5.181 2.017 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.601 -4.666 -0.444 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.548 -3.898 0.815 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.215 -7.683 0.219 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.807 -6.386 -0.909 1.00 0.00 H new ATOM 838 N PHE A 58 7.755 -2.249 2.329 1.00 0.00 N ATOM 839 CA PHE A 58 7.861 -1.021 3.100 1.00 0.00 C ATOM 840 C PHE A 58 6.520 -0.657 3.738 1.00 0.00 C ATOM 841 O PHE A 58 6.169 0.519 3.826 1.00 0.00 O ATOM 842 CB PHE A 58 8.267 0.086 2.124 1.00 0.00 C ATOM 843 CG PHE A 58 9.776 0.197 1.902 1.00 0.00 C ATOM 844 CD1 PHE A 58 10.566 0.750 2.862 1.00 0.00 C ATOM 845 CD2 PHE A 58 10.328 -0.256 0.745 1.00 0.00 C ATOM 846 CE1 PHE A 58 11.967 0.853 2.655 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.730 -0.153 0.538 1.00 0.00 C ATOM 848 CZ PHE A 58 12.519 0.400 1.498 1.00 0.00 C ATOM 0 H PHE A 58 6.849 -2.396 1.884 1.00 0.00 H new ATOM 0 HA PHE A 58 8.591 -1.145 3.900 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.781 -0.093 1.165 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.894 1.040 2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.128 1.110 3.781 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.701 -0.694 -0.017 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.594 1.291 3.417 1.00 0.00 H new ATOM 0 HE2 PHE A 58 12.169 -0.513 -0.381 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.585 0.479 1.341 1.00 0.00 H new ATOM 858 N ILE A 59 5.805 -1.687 4.166 1.00 0.00 N ATOM 859 CA ILE A 59 4.509 -1.489 4.794 1.00 0.00 C ATOM 860 C ILE A 59 4.353 -2.476 5.953 1.00 0.00 C ATOM 861 O ILE A 59 5.297 -3.184 6.302 1.00 0.00 O ATOM 862 CB ILE A 59 3.391 -1.580 3.754 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.598 -2.782 2.830 1.00 0.00 C ATOM 864 CG2 ILE A 59 3.261 -0.272 2.972 1.00 0.00 C ATOM 865 CD1 ILE A 59 3.012 -4.054 3.445 1.00 0.00 C ATOM 0 H ILE A 59 6.098 -2.661 4.090 1.00 0.00 H new ATOM 0 HA ILE A 59 4.439 -0.487 5.217 1.00 0.00 H new ATOM 0 HB ILE A 59 2.449 -1.736 4.279 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.127 -2.590 1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.663 -2.922 2.642 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.459 -0.364 2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.032 0.542 3.660 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.199 -0.060 2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.173 -4.893 2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.502 -4.257 4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.943 -3.920 3.609 1.00 0.00 H new ATOM 877 N LYS A 60 3.155 -2.492 6.517 1.00 0.00 N ATOM 878 CA LYS A 60 2.863 -3.380 7.629 1.00 0.00 C ATOM 879 C LYS A 60 1.408 -3.846 7.536 1.00 0.00 C ATOM 880 O LYS A 60 0.488 -3.080 7.817 1.00 0.00 O ATOM 881 CB LYS A 60 3.208 -2.706 8.958 1.00 0.00 C ATOM 882 CG LYS A 60 2.384 -1.432 9.157 1.00 0.00 C ATOM 883 CD LYS A 60 2.934 -0.599 10.317 1.00 0.00 C ATOM 884 CE LYS A 60 2.859 0.897 10.001 1.00 0.00 C ATOM 885 NZ LYS A 60 3.005 1.695 11.239 1.00 0.00 N ATOM 0 H LYS A 60 2.375 -1.904 6.225 1.00 0.00 H new ATOM 0 HA LYS A 60 3.488 -4.272 7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.020 -3.397 9.780 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.270 -2.464 8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.396 -0.840 8.242 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.344 -1.694 9.354 1.00 0.00 H new ATOM 0 HD2 LYS A 60 2.367 -0.812 11.223 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.968 -0.881 10.514 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.644 1.165 9.293 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.907 1.127 9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.952 2.708 11.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.241 1.451 11.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.924 1.488 11.679 1.00 0.00 H new ATOM 899 N GLU A 61 1.247 -5.100 7.140 1.00 0.00 N ATOM 900 CA GLU A 61 -0.080 -5.678 7.006 1.00 0.00 C ATOM 901 C GLU A 61 -0.864 -5.515 8.310 1.00 0.00 C ATOM 902 O GLU A 61 -0.300 -5.132 9.334 1.00 0.00 O ATOM 903 CB GLU A 61 0.002 -7.149 6.595 1.00 0.00 C ATOM 904 CG GLU A 61 1.033 -7.352 5.483 1.00 0.00 C ATOM 905 CD GLU A 61 2.258 -8.107 6.003 1.00 0.00 C ATOM 906 OE1 GLU A 61 2.732 -7.736 7.098 1.00 0.00 O ATOM 907 OE2 GLU A 61 2.693 -9.039 5.292 1.00 0.00 O ATOM 0 H GLU A 61 2.013 -5.732 6.908 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.610 -5.144 6.217 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.270 -7.757 7.459 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.976 -7.490 6.256 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.582 -7.907 4.660 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.339 -6.385 5.085 1.00 0.00 H new ATOM 914 N LEU A 62 -2.152 -5.814 8.230 1.00 0.00 N ATOM 915 CA LEU A 62 -3.019 -5.706 9.391 1.00 0.00 C ATOM 916 C LEU A 62 -4.082 -6.805 9.332 1.00 0.00 C ATOM 917 O LEU A 62 -4.495 -7.216 8.250 1.00 0.00 O ATOM 918 CB LEU A 62 -3.599 -4.294 9.496 1.00 0.00 C ATOM 919 CG LEU A 62 -2.632 -3.147 9.196 1.00 0.00 C ATOM 920 CD1 LEU A 62 -3.389 -1.892 8.759 1.00 0.00 C ATOM 921 CD2 LEU A 62 -1.714 -2.877 10.390 1.00 0.00 C ATOM 0 H LEU A 62 -2.616 -6.131 7.379 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.450 -5.861 10.308 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.444 -4.218 8.812 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.991 -4.158 10.504 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.996 -3.445 8.363 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.678 -1.092 8.552 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.964 -2.109 7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.065 -1.580 9.555 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.037 -2.057 10.150 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.316 -2.608 11.258 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.135 -3.773 10.613 1.00 0.00 H new