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= -1.68! USER MOD Single : A 11 GLN : amide:sc= 0.143 X(o=0.14,f=-0.18) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 42:sc= -2.65! USER MOD Single : A 19 GLN : amide:sc= -0.375 K(o=-0.38,f=-2.3!) USER MOD Single : A 20 ASN : amide:sc= -0.155 X(o=-0.16,f=-0.5) 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 82:sc= -5.39! USER MOD Single : A 53 MET CE :methyl -152:sc= -3.11 (180deg=-4.43!) USER MOD Single : A 56 SER OG : rot 178:sc= 0.555 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -7.624 -5.807 0.685 1.00 0.00 N ATOM 67 CA ARG A 8 -6.746 -5.931 1.836 1.00 0.00 C ATOM 68 C ARG A 8 -6.265 -4.550 2.287 1.00 0.00 C ATOM 69 O ARG A 8 -6.185 -3.623 1.482 1.00 0.00 O ATOM 70 CB ARG A 8 -5.534 -6.806 1.513 1.00 0.00 C ATOM 71 CG ARG A 8 -5.863 -8.289 1.698 1.00 0.00 C ATOM 72 CD ARG A 8 -6.826 -8.776 0.613 1.00 0.00 C ATOM 73 NE ARG A 8 -7.298 -10.142 0.931 1.00 0.00 N ATOM 74 CZ ARG A 8 -6.546 -11.244 0.808 1.00 0.00 C ATOM 75 NH1 ARG A 8 -5.283 -11.148 0.372 1.00 0.00 N ATOM 76 NH2 ARG A 8 -7.058 -12.443 1.120 1.00 0.00 N ATOM 0 HA ARG A 8 -7.315 -6.401 2.638 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.214 -6.626 0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.700 -6.531 2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -4.945 -8.876 1.665 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.307 -8.447 2.681 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.675 -8.097 0.538 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.327 -8.771 -0.356 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.256 -10.251 1.265 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -4.894 -10.236 0.134 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.711 -11.987 0.278 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -8.020 -12.516 1.451 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.486 -13.282 1.026 1.00 0.00 H new ATOM 90 N ARG A 9 -5.956 -4.457 3.572 1.00 0.00 N ATOM 91 CA ARG A 9 -5.484 -3.206 4.140 1.00 0.00 C ATOM 92 C ARG A 9 -4.079 -3.382 4.719 1.00 0.00 C ATOM 93 O ARG A 9 -3.761 -4.430 5.277 1.00 0.00 O ATOM 94 CB ARG A 9 -6.424 -2.711 5.241 1.00 0.00 C ATOM 95 CG ARG A 9 -7.441 -1.712 4.687 1.00 0.00 C ATOM 96 CD ARG A 9 -8.528 -1.407 5.719 1.00 0.00 C ATOM 97 NE ARG A 9 -9.708 -2.269 5.482 1.00 0.00 N ATOM 98 CZ ARG A 9 -10.727 -2.400 6.341 1.00 0.00 C ATOM 99 NH1 ARG A 9 -10.719 -1.726 7.499 1.00 0.00 N ATOM 100 NH2 ARG A 9 -11.756 -3.206 6.042 1.00 0.00 N ATOM 0 H ARG A 9 -6.023 -5.228 4.236 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.460 -2.467 3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.946 -3.558 5.686 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.844 -2.242 6.035 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.933 -0.790 4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.896 -2.115 3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.143 -1.573 6.725 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.816 -0.358 5.657 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.747 -2.796 4.610 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.936 -1.113 7.727 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.495 -1.826 8.153 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.762 -3.719 5.161 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.532 -3.306 6.696 1.00 0.00 H new ATOM 114 N CYS A 10 -3.276 -2.339 4.566 1.00 0.00 N ATOM 115 CA CYS A 10 -1.912 -2.365 5.067 1.00 0.00 C ATOM 116 C CYS A 10 -1.520 -0.942 5.468 1.00 0.00 C ATOM 117 O CYS A 10 -1.965 0.026 4.851 1.00 0.00 O ATOM 118 CB CYS A 10 -0.944 -2.956 4.040 1.00 0.00 C ATOM 119 SG CYS A 10 -1.694 -4.422 3.243 1.00 0.00 S ATOM 0 H CYS A 10 -3.544 -1.471 4.102 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.855 -3.016 5.940 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.699 -2.208 3.286 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.010 -3.235 4.527 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.557 -4.962 4.052 1.00 0.00 H new ATOM 125 N GLN A 11 -0.692 -0.858 6.499 1.00 0.00 N ATOM 126 CA GLN A 11 -0.235 0.431 6.989 1.00 0.00 C ATOM 127 C GLN A 11 1.169 0.733 6.461 1.00 0.00 C ATOM 128 O GLN A 11 2.009 -0.161 6.375 1.00 0.00 O ATOM 129 CB GLN A 11 -0.267 0.478 8.518 1.00 0.00 C ATOM 130 CG GLN A 11 -0.384 1.919 9.020 1.00 0.00 C ATOM 131 CD GLN A 11 -1.115 1.974 10.363 1.00 0.00 C ATOM 132 OE1 GLN A 11 -1.016 1.082 11.190 1.00 0.00 O ATOM 133 NE2 GLN A 11 -1.851 3.068 10.534 1.00 0.00 N ATOM 0 H GLN A 11 -0.326 -1.662 7.009 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.914 1.200 6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.109 -0.109 8.886 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.638 0.022 8.918 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.610 2.353 9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.919 2.521 8.286 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.890 3.776 9.801 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.377 3.199 11.398 1.00 0.00 H new ATOM 142 N VAL A 12 1.379 1.996 6.120 1.00 0.00 N ATOM 143 CA VAL A 12 2.666 2.427 5.602 1.00 0.00 C ATOM 144 C VAL A 12 3.631 2.650 6.768 1.00 0.00 C ATOM 145 O VAL A 12 3.402 3.514 7.612 1.00 0.00 O ATOM 146 CB VAL A 12 2.489 3.670 4.727 1.00 0.00 C ATOM 147 CG1 VAL A 12 3.839 4.317 4.414 1.00 0.00 C ATOM 148 CG2 VAL A 12 1.732 3.331 3.441 1.00 0.00 C ATOM 0 H VAL A 12 0.679 2.735 6.192 1.00 0.00 H new ATOM 0 HA VAL A 12 3.098 1.656 4.964 1.00 0.00 H new ATOM 0 HB VAL A 12 1.894 4.392 5.286 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.685 5.198 3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.326 4.611 5.344 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.470 3.604 3.884 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.619 4.231 2.837 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.289 2.583 2.877 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.747 2.937 3.692 1.00 0.00 H new ATOM 158 N ALA A 13 4.691 1.855 6.777 1.00 0.00 N ATOM 159 CA ALA A 13 5.692 1.954 7.826 1.00 0.00 C ATOM 160 C ALA A 13 6.791 2.923 7.386 1.00 0.00 C ATOM 161 O ALA A 13 7.539 3.438 8.215 1.00 0.00 O ATOM 162 CB ALA A 13 6.237 0.561 8.145 1.00 0.00 C ATOM 0 H ALA A 13 4.879 1.139 6.075 1.00 0.00 H new ATOM 0 HA ALA A 13 5.251 2.349 8.741 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.988 0.635 8.932 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.422 -0.080 8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.690 0.134 7.250 1.00 0.00 H new ATOM 168 N PHE A 14 6.854 3.143 6.080 1.00 0.00 N ATOM 169 CA PHE A 14 7.849 4.041 5.520 1.00 0.00 C ATOM 170 C PHE A 14 7.266 4.849 4.359 1.00 0.00 C ATOM 171 O PHE A 14 6.777 4.279 3.385 1.00 0.00 O ATOM 172 CB PHE A 14 8.993 3.170 4.996 1.00 0.00 C ATOM 173 CG PHE A 14 9.393 2.034 5.939 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.594 0.940 6.063 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.547 2.117 6.654 1.00 0.00 C ATOM 176 CE1 PHE A 14 8.964 -0.114 6.939 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.918 1.063 7.530 1.00 0.00 C ATOM 178 CZ PHE A 14 10.118 -0.031 7.654 1.00 0.00 C ATOM 0 H PHE A 14 6.232 2.715 5.394 1.00 0.00 H new ATOM 0 HA PHE A 14 8.188 4.743 6.282 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.702 2.745 4.035 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.863 3.801 4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.678 0.873 5.495 1.00 0.00 H new ATOM 0 HD2 PHE A 14 11.182 2.985 6.555 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.329 -0.982 7.038 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.834 1.129 8.098 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.399 -0.833 8.320 1.00 0.00 H new ATOM 188 N SER A 15 7.338 6.164 4.500 1.00 0.00 N ATOM 189 CA SER A 15 6.823 7.057 3.476 1.00 0.00 C ATOM 190 C SER A 15 7.607 6.867 2.175 1.00 0.00 C ATOM 191 O SER A 15 8.811 6.615 2.203 1.00 0.00 O ATOM 192 CB SER A 15 6.893 8.516 3.930 1.00 0.00 C ATOM 193 OG SER A 15 8.232 8.932 4.184 1.00 0.00 O ATOM 0 H SER A 15 7.746 6.633 5.309 1.00 0.00 H new ATOM 0 HA SER A 15 5.776 6.810 3.302 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.454 9.155 3.164 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.296 8.644 4.833 1.00 0.00 H new ATOM 0 HG SER A 15 8.235 9.869 4.470 1.00 0.00 H new ATOM 199 N TYR A 16 6.893 6.997 1.067 1.00 0.00 N ATOM 200 CA TYR A 16 7.507 6.843 -0.241 1.00 0.00 C ATOM 201 C TYR A 16 7.006 7.915 -1.211 1.00 0.00 C ATOM 202 O TYR A 16 5.815 7.978 -1.511 1.00 0.00 O ATOM 203 CB TYR A 16 7.073 5.468 -0.751 1.00 0.00 C ATOM 204 CG TYR A 16 7.428 5.208 -2.217 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.591 5.655 -3.219 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.585 4.526 -2.536 1.00 0.00 C ATOM 207 CE1 TYR A 16 6.925 5.410 -4.598 1.00 0.00 C ATOM 208 CE2 TYR A 16 8.918 4.281 -3.916 1.00 0.00 C ATOM 209 CZ TYR A 16 8.072 4.735 -4.879 1.00 0.00 C ATOM 210 OH TYR A 16 8.387 4.504 -6.181 1.00 0.00 O ATOM 0 H TYR A 16 5.895 7.207 1.048 1.00 0.00 H new ATOM 0 HA TYR A 16 8.590 6.940 -0.170 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.538 4.699 -0.133 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.995 5.369 -0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.686 6.188 -2.969 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.240 4.176 -1.752 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.279 5.755 -5.392 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.820 3.748 -4.180 1.00 0.00 H new ATOM 0 HH TYR A 16 8.202 5.308 -6.710 1.00 0.00 H new ATOM 220 N LEU A 17 7.941 8.732 -1.675 1.00 0.00 N ATOM 221 CA LEU A 17 7.609 9.798 -2.605 1.00 0.00 C ATOM 222 C LEU A 17 7.629 9.248 -4.032 1.00 0.00 C ATOM 223 O LEU A 17 8.610 8.637 -4.452 1.00 0.00 O ATOM 224 CB LEU A 17 8.534 10.998 -2.395 1.00 0.00 C ATOM 225 CG LEU A 17 8.470 11.662 -1.018 1.00 0.00 C ATOM 226 CD1 LEU A 17 7.146 12.404 -0.828 1.00 0.00 C ATOM 227 CD2 LEU A 17 8.721 10.642 0.094 1.00 0.00 C ATOM 0 H LEU A 17 8.928 8.677 -1.424 1.00 0.00 H new ATOM 0 HA LEU A 17 6.600 10.166 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.560 10.676 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.299 11.749 -3.150 1.00 0.00 H new ATOM 0 HG LEU A 17 9.266 12.405 -0.959 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.127 12.867 0.159 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.048 13.175 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.319 11.700 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.670 11.140 1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.964 9.860 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.709 10.199 -0.035 1.00 0.00 H new ATOM 239 N PRO A 18 6.504 9.491 -4.758 1.00 0.00 N ATOM 240 CA PRO A 18 6.384 9.027 -6.129 1.00 0.00 C ATOM 241 C PRO A 18 7.222 9.889 -7.075 1.00 0.00 C ATOM 242 O PRO A 18 6.955 11.079 -7.239 1.00 0.00 O ATOM 243 CB PRO A 18 4.896 9.085 -6.435 1.00 0.00 C ATOM 244 CG PRO A 18 4.292 10.013 -5.392 1.00 0.00 C ATOM 245 CD PRO A 18 5.323 10.212 -4.293 1.00 0.00 C ATOM 0 HA PRO A 18 6.767 8.016 -6.266 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.719 9.462 -7.442 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.447 8.093 -6.382 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.024 10.969 -5.841 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.377 9.584 -4.984 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.539 11.269 -4.140 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.968 9.818 -3.341 1.00 0.00 H new ATOM 253 N GLN A 19 8.220 9.255 -7.674 1.00 0.00 N ATOM 254 CA GLN A 19 9.099 9.949 -8.600 1.00 0.00 C ATOM 255 C GLN A 19 8.429 10.082 -9.969 1.00 0.00 C ATOM 256 O GLN A 19 9.049 10.548 -10.924 1.00 0.00 O ATOM 257 CB GLN A 19 10.447 9.234 -8.716 1.00 0.00 C ATOM 258 CG GLN A 19 10.968 8.820 -7.338 1.00 0.00 C ATOM 259 CD GLN A 19 12.272 9.547 -7.004 1.00 0.00 C ATOM 260 OE1 GLN A 19 12.973 10.048 -7.868 1.00 0.00 O ATOM 261 NE2 GLN A 19 12.557 9.576 -5.705 1.00 0.00 N ATOM 0 H GLN A 19 8.439 8.268 -7.536 1.00 0.00 H new ATOM 0 HA GLN A 19 9.288 10.950 -8.211 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.342 8.353 -9.349 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.170 9.890 -9.200 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.218 9.044 -6.579 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.132 7.743 -7.316 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.926 9.137 -5.035 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.406 10.038 -5.379 1.00 0.00 H new ATOM 270 N ASN A 20 7.173 9.666 -10.021 1.00 0.00 N ATOM 271 CA ASN A 20 6.412 9.733 -11.257 1.00 0.00 C ATOM 272 C ASN A 20 5.006 10.255 -10.958 1.00 0.00 C ATOM 273 O ASN A 20 4.681 10.551 -9.809 1.00 0.00 O ATOM 274 CB ASN A 20 6.278 8.350 -11.897 1.00 0.00 C ATOM 275 CG ASN A 20 7.541 7.517 -11.672 1.00 0.00 C ATOM 276 OD1 ASN A 20 7.733 6.901 -10.636 1.00 0.00 O ATOM 277 ND2 ASN A 20 8.388 7.531 -12.697 1.00 0.00 N ATOM 0 H ASN A 20 6.662 9.281 -9.226 1.00 0.00 H new ATOM 0 HA ASN A 20 6.939 10.397 -11.942 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.417 7.832 -11.475 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.094 8.456 -12.966 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.260 7.005 -12.645 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.165 8.068 -13.535 1.00 0.00 H new ATOM 284 N ASP A 21 4.208 10.352 -12.012 1.00 0.00 N ATOM 285 CA ASP A 21 2.844 10.832 -11.876 1.00 0.00 C ATOM 286 C ASP A 21 1.877 9.655 -12.015 1.00 0.00 C ATOM 287 O ASP A 21 0.752 9.822 -12.483 1.00 0.00 O ATOM 288 CB ASP A 21 2.508 11.851 -12.968 1.00 0.00 C ATOM 289 CG ASP A 21 1.269 12.707 -12.694 1.00 0.00 C ATOM 290 OD1 ASP A 21 1.197 13.259 -11.575 1.00 0.00 O ATOM 291 OD2 ASP A 21 0.423 12.789 -13.610 1.00 0.00 O ATOM 0 H ASP A 21 4.481 10.106 -12.964 1.00 0.00 H new ATOM 0 HA ASP A 21 2.749 11.305 -10.899 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.365 12.511 -13.104 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.363 11.319 -13.908 1.00 0.00 H new ATOM 296 N ASP A 22 2.350 8.489 -11.599 1.00 0.00 N ATOM 297 CA ASP A 22 1.542 7.284 -11.670 1.00 0.00 C ATOM 298 C ASP A 22 1.911 6.358 -10.510 1.00 0.00 C ATOM 299 O ASP A 22 1.640 5.159 -10.558 1.00 0.00 O ATOM 300 CB ASP A 22 1.793 6.529 -12.977 1.00 0.00 C ATOM 301 CG ASP A 22 0.573 5.807 -13.552 1.00 0.00 C ATOM 302 OD1 ASP A 22 0.299 4.686 -13.073 1.00 0.00 O ATOM 303 OD2 ASP A 22 -0.059 6.394 -14.457 1.00 0.00 O ATOM 0 H ASP A 22 3.284 8.354 -11.211 1.00 0.00 H new ATOM 0 HA ASP A 22 0.494 7.578 -11.619 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.163 7.234 -13.721 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.584 5.798 -12.810 1.00 0.00 H new ATOM 308 N GLU A 23 2.523 6.949 -9.495 1.00 0.00 N ATOM 309 CA GLU A 23 2.933 6.191 -8.324 1.00 0.00 C ATOM 310 C GLU A 23 2.149 6.651 -7.093 1.00 0.00 C ATOM 311 O GLU A 23 1.546 7.724 -7.102 1.00 0.00 O ATOM 312 CB GLU A 23 4.440 6.313 -8.092 1.00 0.00 C ATOM 313 CG GLU A 23 5.196 5.182 -8.793 1.00 0.00 C ATOM 314 CD GLU A 23 6.387 4.715 -7.953 1.00 0.00 C ATOM 315 OE1 GLU A 23 6.129 4.095 -6.899 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.527 4.989 -8.384 1.00 0.00 O ATOM 0 H GLU A 23 2.745 7.944 -9.458 1.00 0.00 H new ATOM 0 HA GLU A 23 2.710 5.139 -8.500 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.792 7.275 -8.463 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.650 6.288 -7.023 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.521 4.345 -8.971 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.545 5.523 -9.768 1.00 0.00 H new ATOM 323 N LEU A 24 2.183 5.818 -6.064 1.00 0.00 N ATOM 324 CA LEU A 24 1.484 6.126 -4.828 1.00 0.00 C ATOM 325 C LEU A 24 2.467 6.743 -3.831 1.00 0.00 C ATOM 326 O LEU A 24 3.623 6.330 -3.757 1.00 0.00 O ATOM 327 CB LEU A 24 0.766 4.885 -4.295 1.00 0.00 C ATOM 328 CG LEU A 24 -0.386 4.357 -5.153 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.209 3.319 -4.387 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.253 5.504 -5.674 1.00 0.00 C ATOM 0 H LEU A 24 2.684 4.929 -6.061 1.00 0.00 H new ATOM 0 HA LEU A 24 0.704 6.866 -5.006 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.500 4.088 -4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.379 5.112 -3.302 1.00 0.00 H new ATOM 0 HG LEU A 24 0.039 3.854 -6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.021 2.960 -5.019 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.569 2.482 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.624 3.775 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.064 5.101 -6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.670 6.056 -4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.644 6.174 -6.281 1.00 0.00 H new ATOM 342 N GLU A 25 1.971 7.723 -3.089 1.00 0.00 N ATOM 343 CA GLU A 25 2.791 8.401 -2.100 1.00 0.00 C ATOM 344 C GLU A 25 2.530 7.823 -0.708 1.00 0.00 C ATOM 345 O GLU A 25 1.537 8.163 -0.066 1.00 0.00 O ATOM 346 CB GLU A 25 2.541 9.910 -2.122 1.00 0.00 C ATOM 347 CG GLU A 25 3.339 10.614 -1.023 1.00 0.00 C ATOM 348 CD GLU A 25 2.961 12.094 -0.933 1.00 0.00 C ATOM 349 OE1 GLU A 25 3.511 12.871 -1.744 1.00 0.00 O ATOM 350 OE2 GLU A 25 2.130 12.416 -0.057 1.00 0.00 O ATOM 0 H GLU A 25 1.012 8.063 -3.153 1.00 0.00 H new ATOM 0 HA GLU A 25 3.839 8.236 -2.350 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.820 10.314 -3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.478 10.108 -1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.152 10.128 -0.065 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.406 10.519 -1.226 1.00 0.00 H new ATOM 357 N LEU A 26 3.439 6.958 -0.281 1.00 0.00 N ATOM 358 CA LEU A 26 3.319 6.330 1.024 1.00 0.00 C ATOM 359 C LEU A 26 3.625 7.361 2.112 1.00 0.00 C ATOM 360 O LEU A 26 4.540 8.170 1.966 1.00 0.00 O ATOM 361 CB LEU A 26 4.197 5.078 1.098 1.00 0.00 C ATOM 362 CG LEU A 26 4.040 4.080 -0.051 1.00 0.00 C ATOM 363 CD1 LEU A 26 5.084 2.966 0.044 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.614 3.526 -0.104 1.00 0.00 C ATOM 0 H LEU A 26 4.261 6.678 -0.816 1.00 0.00 H new ATOM 0 HA LEU A 26 2.298 5.986 1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.240 5.392 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.981 4.562 2.033 1.00 0.00 H new ATOM 0 HG LEU A 26 4.216 4.607 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.950 2.270 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.083 3.399 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.963 2.434 0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.529 2.819 -0.929 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.386 3.019 0.833 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.911 4.345 -0.254 1.00 0.00 H new ATOM 376 N LYS A 27 2.842 7.298 3.179 1.00 0.00 N ATOM 377 CA LYS A 27 3.018 8.216 4.291 1.00 0.00 C ATOM 378 C LYS A 27 2.798 7.465 5.606 1.00 0.00 C ATOM 379 O LYS A 27 1.698 6.984 5.874 1.00 0.00 O ATOM 380 CB LYS A 27 2.114 9.440 4.123 1.00 0.00 C ATOM 381 CG LYS A 27 2.898 10.626 3.558 1.00 0.00 C ATOM 382 CD LYS A 27 2.082 11.917 3.652 1.00 0.00 C ATOM 383 CE LYS A 27 2.225 12.556 5.035 1.00 0.00 C ATOM 384 NZ LYS A 27 2.208 14.033 4.927 1.00 0.00 N ATOM 0 H LYS A 27 2.084 6.625 3.297 1.00 0.00 H new ATOM 0 HA LYS A 27 4.038 8.601 4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.286 9.196 3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.680 9.711 5.085 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.833 10.742 4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.159 10.432 2.518 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.415 12.618 2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.032 11.703 3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.413 12.223 5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.156 12.230 5.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.306 14.451 5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.997 14.346 4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.309 14.340 4.504 1.00 0.00 H new ATOM 398 N VAL A 28 3.863 7.389 6.391 1.00 0.00 N ATOM 399 CA VAL A 28 3.800 6.705 7.672 1.00 0.00 C ATOM 400 C VAL A 28 2.433 6.954 8.312 1.00 0.00 C ATOM 401 O VAL A 28 2.167 8.047 8.809 1.00 0.00 O ATOM 402 CB VAL A 28 4.965 7.147 8.559 1.00 0.00 C ATOM 403 CG1 VAL A 28 4.901 6.468 9.928 1.00 0.00 C ATOM 404 CG2 VAL A 28 6.308 6.877 7.876 1.00 0.00 C ATOM 0 H VAL A 28 4.774 7.789 6.165 1.00 0.00 H new ATOM 0 HA VAL A 28 3.903 5.629 7.535 1.00 0.00 H new ATOM 0 HB VAL A 28 4.878 8.222 8.714 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.741 6.800 10.538 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.966 6.733 10.422 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.950 5.387 9.800 1.00 0.00 H new ATOM 0 HG21 VAL A 28 7.119 7.201 8.528 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.407 5.810 7.676 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.356 7.428 6.937 1.00 0.00 H new ATOM 414 N GLY A 29 1.603 5.922 8.278 1.00 0.00 N ATOM 415 CA GLY A 29 0.270 6.015 8.849 1.00 0.00 C ATOM 416 C GLY A 29 -0.801 5.749 7.789 1.00 0.00 C ATOM 417 O GLY A 29 -1.821 5.125 8.075 1.00 0.00 O ATOM 0 H GLY A 29 1.828 5.017 7.864 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.168 5.296 9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.123 7.006 9.279 1.00 0.00 H new ATOM 421 N ASP A 30 -0.531 6.236 6.587 1.00 0.00 N ATOM 422 CA ASP A 30 -1.458 6.058 5.482 1.00 0.00 C ATOM 423 C ASP A 30 -1.799 4.574 5.341 1.00 0.00 C ATOM 424 O ASP A 30 -0.964 3.713 5.616 1.00 0.00 O ATOM 425 CB ASP A 30 -0.840 6.529 4.164 1.00 0.00 C ATOM 426 CG ASP A 30 -1.106 7.994 3.812 1.00 0.00 C ATOM 427 OD1 ASP A 30 -1.767 8.664 4.634 1.00 0.00 O ATOM 428 OD2 ASP A 30 -0.641 8.410 2.728 1.00 0.00 O ATOM 0 H ASP A 30 0.316 6.754 6.354 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.351 6.647 5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.238 6.372 4.209 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.220 5.902 3.357 1.00 0.00 H new ATOM 433 N ILE A 31 -3.027 4.319 4.914 1.00 0.00 N ATOM 434 CA ILE A 31 -3.489 2.953 4.734 1.00 0.00 C ATOM 435 C ILE A 31 -3.935 2.758 3.283 1.00 0.00 C ATOM 436 O ILE A 31 -4.849 3.436 2.815 1.00 0.00 O ATOM 437 CB ILE A 31 -4.570 2.613 5.761 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.128 3.006 7.172 1.00 0.00 C ATOM 439 CG2 ILE A 31 -4.964 1.137 5.674 1.00 0.00 C ATOM 440 CD1 ILE A 31 -5.243 2.749 8.188 1.00 0.00 C ATOM 0 H ILE A 31 -3.717 5.036 4.687 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.677 2.249 4.916 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.460 3.198 5.527 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.240 2.438 7.450 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.851 4.060 7.190 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.734 0.922 6.415 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.349 0.921 4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.090 0.515 5.868 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.902 3.037 9.183 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.121 3.337 7.921 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.501 1.690 8.185 1.00 0.00 H new ATOM 452 N ILE A 32 -3.271 1.828 2.613 1.00 0.00 N ATOM 453 CA ILE A 32 -3.588 1.535 1.226 1.00 0.00 C ATOM 454 C ILE A 32 -4.395 0.237 1.155 1.00 0.00 C ATOM 455 O ILE A 32 -3.955 -0.800 1.649 1.00 0.00 O ATOM 456 CB ILE A 32 -2.315 1.514 0.378 1.00 0.00 C ATOM 457 CG1 ILE A 32 -1.809 2.934 0.114 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.533 0.733 -0.919 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.349 3.085 0.547 1.00 0.00 C ATOM 0 H ILE A 32 -2.514 1.267 3.005 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.212 2.323 0.804 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.539 0.995 0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.903 3.166 -0.947 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.428 3.651 0.654 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.613 0.734 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.812 -0.294 -0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.330 1.202 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.014 4.103 0.349 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.262 2.876 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.271 2.384 -0.012 1.00 0.00 H new ATOM 471 N GLU A 33 -5.562 0.337 0.536 1.00 0.00 N ATOM 472 CA GLU A 33 -6.435 -0.817 0.394 1.00 0.00 C ATOM 473 C GLU A 33 -5.936 -1.724 -0.732 1.00 0.00 C ATOM 474 O GLU A 33 -6.442 -1.665 -1.852 1.00 0.00 O ATOM 475 CB GLU A 33 -7.882 -0.383 0.149 1.00 0.00 C ATOM 476 CG GLU A 33 -8.746 -0.630 1.387 1.00 0.00 C ATOM 477 CD GLU A 33 -10.201 -0.894 0.996 1.00 0.00 C ATOM 478 OE1 GLU A 33 -10.767 -0.027 0.296 1.00 0.00 O ATOM 479 OE2 GLU A 33 -10.715 -1.956 1.407 1.00 0.00 O ATOM 0 H GLU A 33 -5.924 1.199 0.127 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.413 -1.382 1.326 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.909 0.675 -0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.291 -0.931 -0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.355 -1.482 1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.695 0.234 2.049 1.00 0.00 H new ATOM 486 N VAL A 34 -4.951 -2.543 -0.396 1.00 0.00 N ATOM 487 CA VAL A 34 -4.378 -3.462 -1.365 1.00 0.00 C ATOM 488 C VAL A 34 -5.498 -4.059 -2.220 1.00 0.00 C ATOM 489 O VAL A 34 -6.388 -4.730 -1.701 1.00 0.00 O ATOM 490 CB VAL A 34 -3.542 -4.524 -0.649 1.00 0.00 C ATOM 491 CG1 VAL A 34 -3.100 -5.621 -1.620 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.337 -3.894 0.051 1.00 0.00 C ATOM 0 H VAL A 34 -4.535 -2.590 0.534 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.702 -2.934 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.169 -4.985 0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.507 -6.363 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.979 -6.101 -2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.499 -5.182 -2.416 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.760 -4.671 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.709 -3.394 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.682 -3.167 0.787 1.00 0.00 H new ATOM 502 N VAL A 35 -5.417 -3.792 -3.515 1.00 0.00 N ATOM 503 CA VAL A 35 -6.413 -4.294 -4.446 1.00 0.00 C ATOM 504 C VAL A 35 -5.816 -5.450 -5.251 1.00 0.00 C ATOM 505 O VAL A 35 -6.451 -6.491 -5.414 1.00 0.00 O ATOM 506 CB VAL A 35 -6.926 -3.154 -5.329 1.00 0.00 C ATOM 507 CG1 VAL A 35 -5.881 -2.758 -6.374 1.00 0.00 C ATOM 508 CG2 VAL A 35 -8.252 -3.529 -5.994 1.00 0.00 C ATOM 0 H VAL A 35 -4.677 -3.234 -3.942 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.276 -4.684 -3.907 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.105 -2.290 -4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.270 -1.946 -6.988 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.971 -2.429 -5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.656 -3.616 -7.007 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.594 -2.702 -6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.111 -4.414 -6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -8.997 -3.739 -5.227 1.00 0.00 H new ATOM 518 N GLY A 36 -4.601 -5.229 -5.732 1.00 0.00 N ATOM 519 CA GLY A 36 -3.911 -6.240 -6.515 1.00 0.00 C ATOM 520 C GLY A 36 -2.397 -6.144 -6.321 1.00 0.00 C ATOM 521 O GLY A 36 -1.921 -5.367 -5.496 1.00 0.00 O ATOM 0 H GLY A 36 -4.077 -4.365 -5.595 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.257 -7.231 -6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.155 -6.117 -7.570 1.00 0.00 H new ATOM 525 N GLU A 37 -1.681 -6.946 -7.096 1.00 0.00 N ATOM 526 CA GLU A 37 -0.230 -6.962 -7.021 1.00 0.00 C ATOM 527 C GLU A 37 0.376 -6.720 -8.404 1.00 0.00 C ATOM 528 O GLU A 37 -0.037 -7.338 -9.384 1.00 0.00 O ATOM 529 CB GLU A 37 0.274 -8.277 -6.423 1.00 0.00 C ATOM 530 CG GLU A 37 1.787 -8.417 -6.605 1.00 0.00 C ATOM 531 CD GLU A 37 2.116 -9.449 -7.685 1.00 0.00 C ATOM 532 OE1 GLU A 37 1.846 -10.643 -7.431 1.00 0.00 O ATOM 533 OE2 GLU A 37 2.630 -9.021 -8.741 1.00 0.00 O ATOM 0 H GLU A 37 -2.079 -7.590 -7.779 1.00 0.00 H new ATOM 0 HA GLU A 37 0.089 -6.156 -6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.026 -8.317 -5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.233 -9.116 -6.900 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.215 -7.452 -6.877 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.244 -8.714 -5.661 1.00 0.00 H new ATOM 540 N VAL A 38 1.347 -5.818 -8.440 1.00 0.00 N ATOM 541 CA VAL A 38 2.014 -5.487 -9.688 1.00 0.00 C ATOM 542 C VAL A 38 3.086 -6.538 -9.982 1.00 0.00 C ATOM 543 O VAL A 38 2.951 -7.322 -10.921 1.00 0.00 O ATOM 544 CB VAL A 38 2.574 -4.065 -9.620 1.00 0.00 C ATOM 545 CG1 VAL A 38 3.045 -3.595 -10.998 1.00 0.00 C ATOM 546 CG2 VAL A 38 1.544 -3.098 -9.033 1.00 0.00 C ATOM 0 H VAL A 38 1.687 -5.307 -7.626 1.00 0.00 H new ATOM 0 HA VAL A 38 1.306 -5.504 -10.516 1.00 0.00 H new ATOM 0 HB VAL A 38 3.439 -4.076 -8.957 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.438 -2.581 -10.922 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.827 -4.261 -11.362 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.205 -3.607 -11.693 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.967 -2.094 -8.996 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.652 -3.093 -9.659 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.278 -3.417 -8.025 1.00 0.00 H new ATOM 556 N GLU A 39 4.127 -6.521 -9.163 1.00 0.00 N ATOM 557 CA GLU A 39 5.222 -7.463 -9.324 1.00 0.00 C ATOM 558 C GLU A 39 5.865 -7.766 -7.969 1.00 0.00 C ATOM 559 O GLU A 39 5.564 -7.109 -6.974 1.00 0.00 O ATOM 560 CB GLU A 39 6.259 -6.934 -10.317 1.00 0.00 C ATOM 561 CG GLU A 39 6.656 -5.495 -9.981 1.00 0.00 C ATOM 562 CD GLU A 39 7.499 -4.883 -11.101 1.00 0.00 C ATOM 563 OE1 GLU A 39 7.018 -4.914 -12.255 1.00 0.00 O ATOM 564 OE2 GLU A 39 8.605 -4.397 -10.779 1.00 0.00 O ATOM 0 H GLU A 39 4.236 -5.870 -8.386 1.00 0.00 H new ATOM 0 HA GLU A 39 4.820 -8.392 -9.729 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.143 -7.572 -10.300 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.854 -6.977 -11.328 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.760 -4.894 -9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.218 -5.478 -9.047 1.00 0.00 H new ATOM 571 N GLU A 40 6.739 -8.762 -7.974 1.00 0.00 N ATOM 572 CA GLU A 40 7.427 -9.160 -6.758 1.00 0.00 C ATOM 573 C GLU A 40 8.059 -7.941 -6.082 1.00 0.00 C ATOM 574 O GLU A 40 9.010 -7.361 -6.605 1.00 0.00 O ATOM 575 CB GLU A 40 8.479 -10.233 -7.049 1.00 0.00 C ATOM 576 CG GLU A 40 8.915 -10.936 -5.762 1.00 0.00 C ATOM 577 CD GLU A 40 10.435 -10.878 -5.594 1.00 0.00 C ATOM 578 OE1 GLU A 40 11.128 -11.247 -6.567 1.00 0.00 O ATOM 579 OE2 GLU A 40 10.869 -10.465 -4.497 1.00 0.00 O ATOM 0 H GLU A 40 6.986 -9.305 -8.801 1.00 0.00 H new ATOM 0 HA GLU A 40 6.696 -9.591 -6.075 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.074 -10.965 -7.748 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.345 -9.778 -7.530 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.433 -10.466 -4.905 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.587 -11.975 -5.782 1.00 0.00 H new ATOM 586 N GLY A 41 7.505 -7.589 -4.931 1.00 0.00 N ATOM 587 CA GLY A 41 8.003 -6.450 -4.179 1.00 0.00 C ATOM 588 C GLY A 41 7.141 -5.211 -4.426 1.00 0.00 C ATOM 589 O GLY A 41 7.209 -4.242 -3.671 1.00 0.00 O ATOM 0 H GLY A 41 6.716 -8.072 -4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.009 -6.687 -3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.034 -6.243 -4.466 1.00 0.00 H new ATOM 593 N TRP A 42 6.351 -5.281 -5.487 1.00 0.00 N ATOM 594 CA TRP A 42 5.476 -4.177 -5.844 1.00 0.00 C ATOM 595 C TRP A 42 4.036 -4.692 -5.832 1.00 0.00 C ATOM 596 O TRP A 42 3.731 -5.707 -6.456 1.00 0.00 O ATOM 597 CB TRP A 42 5.883 -3.567 -7.187 1.00 0.00 C ATOM 598 CG TRP A 42 7.176 -2.751 -7.134 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.437 -3.200 -7.165 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.282 -1.314 -7.039 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.346 -2.164 -7.097 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.621 -0.980 -7.019 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.280 -0.330 -6.973 1.00 0.00 C ATOM 604 CZ2 TRP A 42 9.080 0.339 -6.932 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.756 0.984 -6.887 1.00 0.00 C ATOM 606 CH2 TRP A 42 8.100 1.337 -6.865 1.00 0.00 C ATOM 0 H TRP A 42 6.298 -6.086 -6.112 1.00 0.00 H new ATOM 0 HA TRP A 42 5.561 -3.367 -5.120 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.001 -4.368 -7.917 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.076 -2.927 -7.543 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.709 -4.243 -7.235 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.362 -2.251 -7.103 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.227 -0.569 -6.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.134 0.575 -6.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.027 1.779 -6.834 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.387 2.376 -6.797 1.00 0.00 H new ATOM 617 N TRP A 43 3.188 -3.967 -5.117 1.00 0.00 N ATOM 618 CA TRP A 43 1.787 -4.338 -5.016 1.00 0.00 C ATOM 619 C TRP A 43 0.951 -3.185 -5.574 1.00 0.00 C ATOM 620 O TRP A 43 1.464 -2.086 -5.782 1.00 0.00 O ATOM 621 CB TRP A 43 1.418 -4.702 -3.576 1.00 0.00 C ATOM 622 CG TRP A 43 1.971 -6.051 -3.114 1.00 0.00 C ATOM 623 CD1 TRP A 43 2.563 -6.998 -3.855 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.958 -6.570 -1.767 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.932 -8.084 -3.088 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.553 -7.815 -1.778 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.462 -6.005 -0.579 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.706 -8.601 -0.629 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.622 -6.803 0.560 1.00 0.00 C ATOM 630 CH2 TRP A 43 2.218 -8.059 0.566 1.00 0.00 C ATOM 0 H TRP A 43 3.444 -3.125 -4.602 1.00 0.00 H new ATOM 0 HA TRP A 43 1.582 -5.233 -5.604 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.786 -3.922 -2.909 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.332 -4.715 -3.482 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.730 -6.921 -4.919 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.397 -8.929 -3.421 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.994 -5.032 -0.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.175 -9.573 -0.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.257 -6.416 1.500 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.304 -8.614 1.488 1.00 0.00 H new ATOM 641 N GLU A 44 -0.322 -3.474 -5.801 1.00 0.00 N ATOM 642 CA GLU A 44 -1.234 -2.474 -6.331 1.00 0.00 C ATOM 643 C GLU A 44 -2.406 -2.263 -5.371 1.00 0.00 C ATOM 644 O GLU A 44 -3.082 -3.218 -4.991 1.00 0.00 O ATOM 645 CB GLU A 44 -1.729 -2.868 -7.724 1.00 0.00 C ATOM 646 CG GLU A 44 -2.091 -1.630 -8.547 1.00 0.00 C ATOM 647 CD GLU A 44 -1.473 -1.701 -9.945 1.00 0.00 C ATOM 648 OE1 GLU A 44 -1.817 -2.660 -10.670 1.00 0.00 O ATOM 649 OE2 GLU A 44 -0.670 -0.795 -10.258 1.00 0.00 O ATOM 0 H GLU A 44 -0.744 -4.386 -5.628 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.695 -1.532 -6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.957 -3.439 -8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.600 -3.517 -7.634 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.175 -1.547 -8.628 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.740 -0.734 -8.036 1.00 0.00 H new ATOM 656 N GLY A 45 -2.613 -1.006 -5.007 1.00 0.00 N ATOM 657 CA GLY A 45 -3.692 -0.658 -4.099 1.00 0.00 C ATOM 658 C GLY A 45 -4.151 0.785 -4.320 1.00 0.00 C ATOM 659 O GLY A 45 -3.815 1.398 -5.332 1.00 0.00 O ATOM 0 H GLY A 45 -2.051 -0.216 -5.325 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.531 -1.337 -4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.360 -0.784 -3.069 1.00 0.00 H new ATOM 663 N VAL A 46 -4.910 1.285 -3.357 1.00 0.00 N ATOM 664 CA VAL A 46 -5.418 2.644 -3.434 1.00 0.00 C ATOM 665 C VAL A 46 -4.852 3.462 -2.271 1.00 0.00 C ATOM 666 O VAL A 46 -4.544 2.914 -1.214 1.00 0.00 O ATOM 667 CB VAL A 46 -6.948 2.630 -3.466 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.519 3.950 -2.944 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.463 2.329 -4.875 1.00 0.00 C ATOM 0 H VAL A 46 -5.186 0.773 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.091 3.122 -4.357 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.290 1.833 -2.806 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.608 3.914 -2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.192 4.106 -1.916 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.164 4.771 -3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.553 2.325 -4.871 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.106 3.094 -5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.098 1.353 -5.195 1.00 0.00 H new ATOM 679 N LEU A 47 -4.734 4.761 -2.505 1.00 0.00 N ATOM 680 CA LEU A 47 -4.211 5.660 -1.491 1.00 0.00 C ATOM 681 C LEU A 47 -5.083 6.915 -1.429 1.00 0.00 C ATOM 682 O LEU A 47 -4.869 7.862 -2.185 1.00 0.00 O ATOM 683 CB LEU A 47 -2.731 5.952 -1.745 1.00 0.00 C ATOM 684 CG LEU A 47 -2.087 6.999 -0.834 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.292 6.643 0.640 1.00 0.00 C ATOM 686 CD2 LEU A 47 -0.609 7.191 -1.177 1.00 0.00 C ATOM 0 H LEU A 47 -4.992 5.212 -3.383 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.256 5.191 -0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.175 5.020 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.618 6.280 -2.778 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.583 7.954 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.825 7.403 1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.359 6.598 0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.839 5.674 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.176 7.940 -0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.080 6.246 -1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.516 7.523 -2.211 1.00 0.00 H new ATOM 698 N ASN A 48 -6.048 6.882 -0.522 1.00 0.00 N ATOM 699 CA ASN A 48 -6.954 8.006 -0.351 1.00 0.00 C ATOM 700 C ASN A 48 -7.770 8.196 -1.631 1.00 0.00 C ATOM 701 O ASN A 48 -8.110 9.321 -1.994 1.00 0.00 O ATOM 702 CB ASN A 48 -6.182 9.300 -0.086 1.00 0.00 C ATOM 703 CG ASN A 48 -6.069 9.574 1.415 1.00 0.00 C ATOM 704 OD1 ASN A 48 -7.020 9.961 2.075 1.00 0.00 O ATOM 705 ND2 ASN A 48 -4.857 9.351 1.915 1.00 0.00 N ATOM 0 H ASN A 48 -6.223 6.095 0.103 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.601 7.792 0.499 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.186 9.229 -0.522 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.685 10.134 -0.575 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.679 9.503 2.908 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.106 9.028 1.306 1.00 0.00 H new ATOM 712 N GLY A 49 -8.062 7.078 -2.280 1.00 0.00 N ATOM 713 CA GLY A 49 -8.832 7.107 -3.512 1.00 0.00 C ATOM 714 C GLY A 49 -7.929 6.895 -4.729 1.00 0.00 C ATOM 715 O GLY A 49 -8.309 6.209 -5.676 1.00 0.00 O ATOM 0 H GLY A 49 -7.779 6.146 -1.976 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.598 6.332 -3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.348 8.063 -3.600 1.00 0.00 H new ATOM 719 N LYS A 50 -6.751 7.497 -4.663 1.00 0.00 N ATOM 720 CA LYS A 50 -5.791 7.383 -5.747 1.00 0.00 C ATOM 721 C LYS A 50 -5.320 5.931 -5.856 1.00 0.00 C ATOM 722 O LYS A 50 -5.410 5.172 -4.892 1.00 0.00 O ATOM 723 CB LYS A 50 -4.650 8.386 -5.561 1.00 0.00 C ATOM 724 CG LYS A 50 -3.440 7.725 -4.899 1.00 0.00 C ATOM 725 CD LYS A 50 -2.688 8.719 -4.012 1.00 0.00 C ATOM 726 CE LYS A 50 -1.451 9.264 -4.727 1.00 0.00 C ATOM 727 NZ LYS A 50 -1.220 10.679 -4.359 1.00 0.00 N ATOM 0 H LYS A 50 -6.440 8.065 -3.875 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.259 7.639 -6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.361 8.796 -6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.992 9.221 -4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.768 6.875 -4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.769 7.336 -5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.349 9.543 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.391 8.231 -3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.578 8.666 -4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.581 9.179 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.376 11.033 -4.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.046 11.248 -4.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.075 10.751 -3.332 1.00 0.00 H new ATOM 741 N THR A 51 -4.830 5.588 -7.038 1.00 0.00 N ATOM 742 CA THR A 51 -4.345 4.241 -7.284 1.00 0.00 C ATOM 743 C THR A 51 -2.979 4.283 -7.972 1.00 0.00 C ATOM 744 O THR A 51 -2.724 5.155 -8.801 1.00 0.00 O ATOM 745 CB THR A 51 -5.410 3.496 -8.093 1.00 0.00 C ATOM 746 OG1 THR A 51 -6.432 3.212 -7.141 1.00 0.00 O ATOM 747 CG2 THR A 51 -4.937 2.117 -8.554 1.00 0.00 C ATOM 0 H THR A 51 -4.758 6.220 -7.836 1.00 0.00 H new ATOM 0 HA THR A 51 -4.187 3.701 -6.351 1.00 0.00 H new ATOM 0 HB THR A 51 -5.689 4.092 -8.962 1.00 0.00 H new ATOM 0 HG1 THR A 51 -7.002 4.001 -7.028 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.730 1.632 -9.123 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.054 2.227 -9.183 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.689 1.508 -7.685 1.00 0.00 H new ATOM 755 N GLY A 52 -2.137 3.329 -7.602 1.00 0.00 N ATOM 756 CA GLY A 52 -0.803 3.246 -8.173 1.00 0.00 C ATOM 757 C GLY A 52 -0.070 2.000 -7.674 1.00 0.00 C ATOM 758 O GLY A 52 -0.654 1.166 -6.985 1.00 0.00 O ATOM 0 H GLY A 52 -2.352 2.607 -6.914 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.870 3.222 -9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.234 4.137 -7.908 1.00 0.00 H new ATOM 762 N MET A 53 1.201 1.913 -8.041 1.00 0.00 N ATOM 763 CA MET A 53 2.020 0.783 -7.638 1.00 0.00 C ATOM 764 C MET A 53 3.042 1.197 -6.577 1.00 0.00 C ATOM 765 O MET A 53 3.821 2.124 -6.789 1.00 0.00 O ATOM 766 CB MET A 53 2.751 0.222 -8.860 1.00 0.00 C ATOM 767 CG MET A 53 3.339 1.349 -9.712 1.00 0.00 C ATOM 768 SD MET A 53 4.414 0.670 -10.965 1.00 0.00 S ATOM 769 CE MET A 53 5.921 0.503 -10.023 1.00 0.00 C ATOM 0 H MET A 53 1.683 2.607 -8.613 1.00 0.00 H new ATOM 0 HA MET A 53 1.369 0.020 -7.210 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.548 -0.447 -8.536 1.00 0.00 H new ATOM 0 HB3 MET A 53 2.061 -0.371 -9.461 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.536 1.919 -10.180 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.895 2.041 -9.080 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.778 0.580 -10.692 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.972 1.294 -9.275 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.934 -0.467 -9.526 1.00 0.00 H new ATOM 779 N PHE A 54 3.004 0.489 -5.458 1.00 0.00 N ATOM 780 CA PHE A 54 3.917 0.770 -4.363 1.00 0.00 C ATOM 781 C PHE A 54 4.630 -0.502 -3.902 1.00 0.00 C ATOM 782 O PHE A 54 4.139 -1.608 -4.124 1.00 0.00 O ATOM 783 CB PHE A 54 3.075 1.316 -3.208 1.00 0.00 C ATOM 784 CG PHE A 54 2.200 0.264 -2.524 1.00 0.00 C ATOM 785 CD1 PHE A 54 1.046 -0.148 -3.113 1.00 0.00 C ATOM 786 CD2 PHE A 54 2.577 -0.259 -1.327 1.00 0.00 C ATOM 787 CE1 PHE A 54 0.234 -1.125 -2.478 1.00 0.00 C ATOM 788 CE2 PHE A 54 1.766 -1.236 -0.691 1.00 0.00 C ATOM 789 CZ PHE A 54 0.611 -1.648 -1.281 1.00 0.00 C ATOM 0 H PHE A 54 2.355 -0.279 -5.286 1.00 0.00 H new ATOM 0 HA PHE A 54 4.676 1.482 -4.686 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.739 1.760 -2.466 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.437 2.116 -3.584 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.747 0.268 -4.064 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.494 0.069 -0.860 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.683 -1.452 -2.946 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.066 -1.652 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.007 -2.391 -0.798 1.00 0.00 H new ATOM 799 N PRO A 55 5.806 -0.299 -3.251 1.00 0.00 N ATOM 800 CA PRO A 55 6.592 -1.417 -2.757 1.00 0.00 C ATOM 801 C PRO A 55 5.960 -2.016 -1.498 1.00 0.00 C ATOM 802 O PRO A 55 5.652 -1.295 -0.551 1.00 0.00 O ATOM 803 CB PRO A 55 7.978 -0.845 -2.511 1.00 0.00 C ATOM 804 CG PRO A 55 7.800 0.662 -2.433 1.00 0.00 C ATOM 805 CD PRO A 55 6.419 0.997 -2.971 1.00 0.00 C ATOM 0 HA PRO A 55 6.638 -2.245 -3.464 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.403 -1.236 -1.587 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.661 -1.116 -3.316 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.902 1.006 -1.404 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.570 1.168 -3.016 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.837 1.562 -2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.482 1.608 -3.871 1.00 0.00 H new ATOM 813 N SER A 56 5.786 -3.329 -1.530 1.00 0.00 N ATOM 814 CA SER A 56 5.197 -4.033 -0.404 1.00 0.00 C ATOM 815 C SER A 56 6.286 -4.418 0.600 1.00 0.00 C ATOM 816 O SER A 56 6.050 -5.226 1.497 1.00 0.00 O ATOM 817 CB SER A 56 4.440 -5.279 -0.869 1.00 0.00 C ATOM 818 OG SER A 56 5.319 -6.365 -1.148 1.00 0.00 O ATOM 0 H SER A 56 6.043 -3.924 -2.318 1.00 0.00 H new ATOM 0 HA SER A 56 4.484 -3.367 0.081 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.727 -5.578 -0.100 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.864 -5.040 -1.763 1.00 0.00 H new ATOM 0 HG SER A 56 4.795 -7.152 -1.407 1.00 0.00 H new ATOM 824 N ASN A 57 7.454 -3.822 0.415 1.00 0.00 N ATOM 825 CA ASN A 57 8.580 -4.091 1.293 1.00 0.00 C ATOM 826 C ASN A 57 8.798 -2.892 2.218 1.00 0.00 C ATOM 827 O ASN A 57 9.843 -2.780 2.858 1.00 0.00 O ATOM 828 CB ASN A 57 9.864 -4.310 0.491 1.00 0.00 C ATOM 829 CG ASN A 57 10.774 -5.330 1.180 1.00 0.00 C ATOM 830 OD1 ASN A 57 11.691 -4.990 1.909 1.00 0.00 O ATOM 831 ND2 ASN A 57 10.469 -6.596 0.910 1.00 0.00 N ATOM 0 H ASN A 57 7.645 -3.153 -0.331 1.00 0.00 H new ATOM 0 HA ASN A 57 8.354 -4.991 1.864 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.616 -4.658 -0.512 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.393 -3.363 0.378 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.016 -7.352 1.322 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.688 -6.811 0.291 1.00 0.00 H new ATOM 838 N PHE A 58 7.796 -2.027 2.260 1.00 0.00 N ATOM 839 CA PHE A 58 7.865 -0.841 3.096 1.00 0.00 C ATOM 840 C PHE A 58 6.518 -0.561 3.764 1.00 0.00 C ATOM 841 O PHE A 58 6.140 0.595 3.948 1.00 0.00 O ATOM 842 CB PHE A 58 8.220 0.332 2.179 1.00 0.00 C ATOM 843 CG PHE A 58 9.705 0.415 1.821 1.00 0.00 C ATOM 844 CD1 PHE A 58 10.613 0.775 2.767 1.00 0.00 C ATOM 845 CD2 PHE A 58 10.117 0.128 0.557 1.00 0.00 C ATOM 846 CE1 PHE A 58 11.992 0.852 2.435 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.496 0.205 0.225 1.00 0.00 C ATOM 848 CZ PHE A 58 12.404 0.566 1.171 1.00 0.00 C ATOM 0 H PHE A 58 6.931 -2.124 1.728 1.00 0.00 H new ATOM 0 HA PHE A 58 8.607 -0.983 3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.639 0.250 1.260 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.921 1.262 2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.286 1.002 3.771 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.396 -0.158 -0.194 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.713 1.138 3.186 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.823 -0.023 -0.779 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.452 0.626 0.918 1.00 0.00 H new ATOM 858 N ILE A 59 5.829 -1.639 4.108 1.00 0.00 N ATOM 859 CA ILE A 59 4.531 -1.525 4.752 1.00 0.00 C ATOM 860 C ILE A 59 4.403 -2.605 5.827 1.00 0.00 C ATOM 861 O ILE A 59 5.365 -3.314 6.118 1.00 0.00 O ATOM 862 CB ILE A 59 3.411 -1.558 3.709 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.620 -2.703 2.717 1.00 0.00 C ATOM 864 CG2 ILE A 59 3.277 -0.206 3.005 1.00 0.00 C ATOM 865 CD1 ILE A 59 3.011 -4.004 3.244 1.00 0.00 C ATOM 0 H ILE A 59 6.145 -2.596 3.953 1.00 0.00 H new ATOM 0 HA ILE A 59 4.438 -0.563 5.255 1.00 0.00 H new ATOM 0 HB ILE A 59 2.469 -1.747 4.224 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.166 -2.447 1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.686 -2.843 2.537 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.474 -0.257 2.269 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.047 0.566 3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.214 0.038 2.504 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.174 -4.802 2.519 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.484 -4.270 4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.941 -3.868 3.399 1.00 0.00 H new ATOM 877 N LYS A 60 3.206 -2.698 6.388 1.00 0.00 N ATOM 878 CA LYS A 60 2.939 -3.680 7.425 1.00 0.00 C ATOM 879 C LYS A 60 1.474 -4.112 7.347 1.00 0.00 C ATOM 880 O LYS A 60 0.581 -3.364 7.743 1.00 0.00 O ATOM 881 CB LYS A 60 3.349 -3.137 8.796 1.00 0.00 C ATOM 882 CG LYS A 60 2.578 -1.858 9.131 1.00 0.00 C ATOM 883 CD LYS A 60 3.358 -0.992 10.122 1.00 0.00 C ATOM 884 CE LYS A 60 3.003 -1.355 11.565 1.00 0.00 C ATOM 885 NZ LYS A 60 3.754 -0.504 12.514 1.00 0.00 N ATOM 0 H LYS A 60 2.410 -2.109 6.144 1.00 0.00 H new ATOM 0 HA LYS A 60 3.544 -4.573 7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.161 -3.890 9.561 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.420 -2.934 8.805 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.390 -1.293 8.218 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.606 -2.115 9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.428 -1.125 9.963 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.137 0.060 9.943 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.932 -1.230 11.725 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.232 -2.405 11.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.501 -0.764 13.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.775 -0.644 12.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.515 0.495 12.349 1.00 0.00 H new ATOM 899 N GLU A 61 1.271 -5.317 6.836 1.00 0.00 N ATOM 900 CA GLU A 61 -0.071 -5.857 6.701 1.00 0.00 C ATOM 901 C GLU A 61 -0.807 -5.788 8.041 1.00 0.00 C ATOM 902 O GLU A 61 -0.189 -5.580 9.083 1.00 0.00 O ATOM 903 CB GLU A 61 -0.034 -7.291 6.169 1.00 0.00 C ATOM 904 CG GLU A 61 0.957 -7.421 5.011 1.00 0.00 C ATOM 905 CD GLU A 61 2.107 -8.361 5.375 1.00 0.00 C ATOM 906 OE1 GLU A 61 1.865 -9.587 5.357 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.203 -7.832 5.663 1.00 0.00 O ATOM 0 H GLU A 61 2.014 -5.935 6.510 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.615 -5.250 5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.247 -7.973 6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.029 -7.585 5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.441 -7.797 4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.353 -6.438 4.755 1.00 0.00 H new ATOM 914 N LEU A 62 -2.118 -5.967 7.969 1.00 0.00 N ATOM 915 CA LEU A 62 -2.946 -5.927 9.162 1.00 0.00 C ATOM 916 C LEU A 62 -4.079 -6.946 9.026 1.00 0.00 C ATOM 917 O LEU A 62 -4.373 -7.410 7.925 1.00 0.00 O ATOM 918 CB LEU A 62 -3.429 -4.501 9.432 1.00 0.00 C ATOM 919 CG LEU A 62 -2.404 -3.390 9.200 1.00 0.00 C ATOM 920 CD1 LEU A 62 -3.095 -2.068 8.857 1.00 0.00 C ATOM 921 CD2 LEU A 62 -1.465 -3.251 10.400 1.00 0.00 C ATOM 0 H LEU A 62 -2.627 -6.140 7.102 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.365 -6.212 10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.295 -4.306 8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.769 -4.444 10.466 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.791 -3.665 8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.343 -1.295 8.697 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.687 -2.191 7.950 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.748 -1.775 9.679 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.746 -2.454 10.209 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.046 -3.010 11.290 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.933 -4.190 10.557 1.00 0.00 H new