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 -45:sc= 0.042 USER MOD Single : A 11 GLN : amide:sc= 0.346 X(o=0.35,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0.00366 USER MOD Single : A 16 TYR OH : rot 40:sc= -2.6 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.213 K(o=-0.21,f=-1) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc=-0.00146 X(o=-0.0015,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -29:sc= -3.75! USER MOD Single : A 53 MET CE :methyl -159:sc= -3.95! (180deg=-4.53!) USER MOD Single : A 56 SER OG : rot 143:sc= 0.757 USER MOD Single : A 57 ASN : amide:sc= -0.029 X(o=-0.029,f=0.3) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -7.254 -6.194 0.602 1.00 0.00 N ATOM 67 CA ARG A 8 -6.309 -6.201 1.705 1.00 0.00 C ATOM 68 C ARG A 8 -5.980 -4.768 2.132 1.00 0.00 C ATOM 69 O ARG A 8 -6.226 -3.823 1.385 1.00 0.00 O ATOM 70 CB ARG A 8 -5.015 -6.920 1.318 1.00 0.00 C ATOM 71 CG ARG A 8 -4.976 -8.332 1.904 1.00 0.00 C ATOM 72 CD ARG A 8 -3.536 -8.780 2.160 1.00 0.00 C ATOM 73 NE ARG A 8 -3.519 -10.180 2.642 1.00 0.00 N ATOM 74 CZ ARG A 8 -2.457 -10.765 3.213 1.00 0.00 C ATOM 75 NH1 ARG A 8 -1.320 -10.075 3.377 1.00 0.00 N ATOM 76 NH2 ARG A 8 -2.533 -12.039 3.620 1.00 0.00 N ATOM 0 HA ARG A 8 -6.773 -6.734 2.535 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -4.934 -6.971 0.232 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.157 -6.350 1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.540 -8.358 2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.461 -9.027 1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -2.952 -8.695 1.244 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.069 -8.127 2.897 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.369 -10.734 2.533 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.263 -9.105 3.067 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.512 -10.520 3.812 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.399 -12.563 3.495 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -1.725 -12.485 4.055 1.00 0.00 H new ATOM 90 N ARG A 9 -5.429 -4.654 3.331 1.00 0.00 N ATOM 91 CA ARG A 9 -5.064 -3.353 3.866 1.00 0.00 C ATOM 92 C ARG A 9 -3.682 -3.416 4.519 1.00 0.00 C ATOM 93 O ARG A 9 -3.327 -4.422 5.132 1.00 0.00 O ATOM 94 CB ARG A 9 -6.087 -2.875 4.898 1.00 0.00 C ATOM 95 CG ARG A 9 -7.183 -2.036 4.237 1.00 0.00 C ATOM 96 CD ARG A 9 -7.553 -0.834 5.107 1.00 0.00 C ATOM 97 NE ARG A 9 -8.959 -0.947 5.556 1.00 0.00 N ATOM 98 CZ ARG A 9 -9.681 0.077 6.031 1.00 0.00 C ATOM 99 NH1 ARG A 9 -9.134 1.297 6.122 1.00 0.00 N ATOM 100 NH2 ARG A 9 -10.949 -0.119 6.416 1.00 0.00 N ATOM 0 H ARG A 9 -5.226 -5.441 3.947 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.045 -2.647 3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.534 -3.735 5.397 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.586 -2.285 5.666 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.843 -1.692 3.260 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -8.066 -2.653 4.068 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -6.890 -0.782 5.971 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.416 0.089 4.544 1.00 0.00 H new ATOM 0 HE ARG A 9 -9.406 -1.862 5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.168 1.446 5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.683 2.077 6.484 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.365 -1.048 6.348 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -11.498 0.661 6.778 1.00 0.00 H new ATOM 114 N CYS A 10 -2.940 -2.329 4.367 1.00 0.00 N ATOM 115 CA CYS A 10 -1.605 -2.248 4.934 1.00 0.00 C ATOM 116 C CYS A 10 -1.429 -0.859 5.551 1.00 0.00 C ATOM 117 O CYS A 10 -2.161 0.070 5.217 1.00 0.00 O ATOM 118 CB CYS A 10 -0.528 -2.550 3.890 1.00 0.00 C ATOM 119 SG CYS A 10 -0.568 -1.288 2.566 1.00 0.00 S ATOM 0 H CYS A 10 -3.238 -1.496 3.859 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.489 -3.006 5.709 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.454 -2.563 4.362 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.690 -3.540 3.465 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.799 -1.078 2.204 1.00 0.00 H new ATOM 125 N GLN A 11 -0.452 -0.762 6.441 1.00 0.00 N ATOM 126 CA GLN A 11 -0.170 0.497 7.108 1.00 0.00 C ATOM 127 C GLN A 11 1.231 0.990 6.741 1.00 0.00 C ATOM 128 O GLN A 11 2.220 0.558 7.331 1.00 0.00 O ATOM 129 CB GLN A 11 -0.323 0.362 8.624 1.00 0.00 C ATOM 130 CG GLN A 11 -0.250 1.729 9.307 1.00 0.00 C ATOM 131 CD GLN A 11 -1.383 1.897 10.322 1.00 0.00 C ATOM 132 OE1 GLN A 11 -1.513 1.147 11.275 1.00 0.00 O ATOM 133 NE2 GLN A 11 -2.193 2.920 10.064 1.00 0.00 N ATOM 0 H GLN A 11 0.154 -1.535 6.715 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.896 1.236 6.767 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.276 -0.114 8.856 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.461 -0.286 9.016 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.711 1.838 9.809 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.309 2.518 8.557 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -2.027 3.509 9.248 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.980 3.116 10.682 1.00 0.00 H new ATOM 142 N VAL A 12 1.272 1.888 5.767 1.00 0.00 N ATOM 143 CA VAL A 12 2.535 2.444 5.314 1.00 0.00 C ATOM 144 C VAL A 12 3.448 2.674 6.521 1.00 0.00 C ATOM 145 O VAL A 12 3.229 3.599 7.302 1.00 0.00 O ATOM 146 CB VAL A 12 2.286 3.717 4.502 1.00 0.00 C ATOM 147 CG1 VAL A 12 3.587 4.492 4.284 1.00 0.00 C ATOM 148 CG2 VAL A 12 1.610 3.393 3.168 1.00 0.00 C ATOM 0 H VAL A 12 0.450 2.244 5.279 1.00 0.00 H new ATOM 0 HA VAL A 12 3.043 1.745 4.650 1.00 0.00 H new ATOM 0 HB VAL A 12 1.610 4.352 5.074 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.382 5.392 3.704 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.011 4.771 5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.297 3.866 3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.444 4.315 2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.250 2.728 2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.653 2.905 3.354 1.00 0.00 H new ATOM 158 N ALA A 13 4.452 1.817 6.635 1.00 0.00 N ATOM 159 CA ALA A 13 5.399 1.915 7.732 1.00 0.00 C ATOM 160 C ALA A 13 6.564 2.815 7.316 1.00 0.00 C ATOM 161 O ALA A 13 7.417 3.152 8.136 1.00 0.00 O ATOM 162 CB ALA A 13 5.859 0.513 8.136 1.00 0.00 C ATOM 0 H ALA A 13 4.630 1.051 5.985 1.00 0.00 H new ATOM 0 HA ALA A 13 4.929 2.368 8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.570 0.586 8.959 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.998 -0.076 8.452 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.338 0.028 7.285 1.00 0.00 H new ATOM 168 N PHE A 14 6.564 3.178 6.042 1.00 0.00 N ATOM 169 CA PHE A 14 7.610 4.032 5.507 1.00 0.00 C ATOM 170 C PHE A 14 7.069 4.931 4.394 1.00 0.00 C ATOM 171 O PHE A 14 6.516 4.442 3.410 1.00 0.00 O ATOM 172 CB PHE A 14 8.685 3.112 4.926 1.00 0.00 C ATOM 173 CG PHE A 14 8.988 1.886 5.790 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.084 0.874 5.875 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.162 1.809 6.473 1.00 0.00 C ATOM 176 CE1 PHE A 14 8.366 -0.264 6.677 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.443 0.672 7.275 1.00 0.00 C ATOM 178 CZ PHE A 14 9.539 -0.341 7.360 1.00 0.00 C ATOM 0 H PHE A 14 5.856 2.896 5.364 1.00 0.00 H new ATOM 0 HA PHE A 14 8.005 4.673 6.295 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.368 2.778 3.938 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.603 3.684 4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.152 0.935 5.333 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.880 2.613 6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.648 -1.068 6.744 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.375 0.611 7.818 1.00 0.00 H new ATOM 0 HZ PHE A 14 9.753 -1.206 7.970 1.00 0.00 H new ATOM 188 N SER A 15 7.247 6.230 4.586 1.00 0.00 N ATOM 189 CA SER A 15 6.783 7.202 3.610 1.00 0.00 C ATOM 190 C SER A 15 7.571 7.052 2.307 1.00 0.00 C ATOM 191 O SER A 15 8.799 6.983 2.324 1.00 0.00 O ATOM 192 CB SER A 15 6.914 8.628 4.148 1.00 0.00 C ATOM 193 OG SER A 15 8.182 8.854 4.758 1.00 0.00 O ATOM 0 H SER A 15 7.706 6.632 5.403 1.00 0.00 H new ATOM 0 HA SER A 15 5.728 7.012 3.413 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.772 9.338 3.333 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.124 8.815 4.875 1.00 0.00 H new ATOM 0 HG SER A 15 8.227 9.776 5.087 1.00 0.00 H new ATOM 199 N TYR A 16 6.832 7.005 1.209 1.00 0.00 N ATOM 200 CA TYR A 16 7.445 6.864 -0.101 1.00 0.00 C ATOM 201 C TYR A 16 6.943 7.944 -1.061 1.00 0.00 C ATOM 202 O TYR A 16 5.737 8.110 -1.239 1.00 0.00 O ATOM 203 CB TYR A 16 7.013 5.493 -0.624 1.00 0.00 C ATOM 204 CG TYR A 16 7.436 5.216 -2.068 1.00 0.00 C ATOM 205 CD1 TYR A 16 6.654 5.663 -3.114 1.00 0.00 C ATOM 206 CD2 TYR A 16 8.599 4.519 -2.325 1.00 0.00 C ATOM 207 CE1 TYR A 16 7.052 5.403 -4.473 1.00 0.00 C ATOM 208 CE2 TYR A 16 8.997 4.258 -3.684 1.00 0.00 C ATOM 209 CZ TYR A 16 8.204 4.713 -4.691 1.00 0.00 C ATOM 210 OH TYR A 16 8.579 4.467 -5.975 1.00 0.00 O ATOM 0 H TYR A 16 5.814 7.062 1.199 1.00 0.00 H new ATOM 0 HA TYR A 16 8.528 6.962 -0.030 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.432 4.721 0.021 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.928 5.414 -0.552 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.743 6.208 -2.913 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.211 4.169 -1.507 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.450 5.748 -5.300 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.905 3.713 -3.899 1.00 0.00 H new ATOM 0 HH TYR A 16 8.397 5.257 -6.526 1.00 0.00 H new ATOM 220 N LEU A 17 7.893 8.652 -1.654 1.00 0.00 N ATOM 221 CA LEU A 17 7.562 9.711 -2.592 1.00 0.00 C ATOM 222 C LEU A 17 7.645 9.168 -4.020 1.00 0.00 C ATOM 223 O LEU A 17 8.654 8.580 -4.406 1.00 0.00 O ATOM 224 CB LEU A 17 8.445 10.937 -2.348 1.00 0.00 C ATOM 225 CG LEU A 17 8.257 11.643 -1.004 1.00 0.00 C ATOM 226 CD1 LEU A 17 7.052 12.585 -1.044 1.00 0.00 C ATOM 227 CD2 LEU A 17 8.155 10.630 0.138 1.00 0.00 C ATOM 0 H LEU A 17 8.892 8.513 -1.503 1.00 0.00 H new ATOM 0 HA LEU A 17 6.537 10.048 -2.439 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.488 10.631 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.259 11.658 -3.144 1.00 0.00 H new ATOM 0 HG LEU A 17 9.138 12.255 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.940 13.074 -0.076 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.205 13.339 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.151 12.014 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.022 11.158 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.302 9.973 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 17 9.068 10.036 0.180 1.00 0.00 H new ATOM 239 N PRO A 18 6.542 9.388 -4.783 1.00 0.00 N ATOM 240 CA PRO A 18 6.480 8.927 -6.160 1.00 0.00 C ATOM 241 C PRO A 18 7.332 9.811 -7.073 1.00 0.00 C ATOM 242 O PRO A 18 7.038 10.993 -7.249 1.00 0.00 O ATOM 243 CB PRO A 18 5.003 8.953 -6.518 1.00 0.00 C ATOM 244 CG PRO A 18 4.342 9.862 -5.494 1.00 0.00 C ATOM 245 CD PRO A 18 5.328 10.080 -4.359 1.00 0.00 C ATOM 0 HA PRO A 18 6.889 7.925 -6.287 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.853 9.330 -7.530 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.575 7.951 -6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.068 10.814 -5.949 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.423 9.411 -5.120 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.514 11.141 -4.195 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.948 9.674 -3.421 1.00 0.00 H new ATOM 253 N GLN A 19 8.370 9.205 -7.630 1.00 0.00 N ATOM 254 CA GLN A 19 9.266 9.923 -8.521 1.00 0.00 C ATOM 255 C GLN A 19 8.617 10.103 -9.894 1.00 0.00 C ATOM 256 O GLN A 19 9.230 10.655 -10.807 1.00 0.00 O ATOM 257 CB GLN A 19 10.612 9.204 -8.640 1.00 0.00 C ATOM 258 CG GLN A 19 11.091 8.706 -7.275 1.00 0.00 C ATOM 259 CD GLN A 19 12.460 9.294 -6.926 1.00 0.00 C ATOM 260 OE1 GLN A 19 13.499 8.711 -7.188 1.00 0.00 O ATOM 261 NE2 GLN A 19 12.402 10.478 -6.323 1.00 0.00 N ATOM 0 H GLN A 19 8.611 8.225 -7.482 1.00 0.00 H new ATOM 0 HA GLN A 19 9.454 10.910 -8.098 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.519 8.362 -9.326 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.353 9.881 -9.065 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.367 8.982 -6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.150 7.618 -7.281 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.498 10.910 -6.134 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.262 10.954 -6.050 1.00 0.00 H new ATOM 270 N ASN A 20 7.385 9.628 -9.998 1.00 0.00 N ATOM 271 CA ASN A 20 6.646 9.730 -11.245 1.00 0.00 C ATOM 272 C ASN A 20 5.195 10.111 -10.944 1.00 0.00 C ATOM 273 O ASN A 20 4.810 10.232 -9.782 1.00 0.00 O ATOM 274 CB ASN A 20 6.638 8.395 -11.992 1.00 0.00 C ATOM 275 CG ASN A 20 8.063 7.891 -12.228 1.00 0.00 C ATOM 276 OD1 ASN A 20 8.964 8.637 -12.574 1.00 0.00 O ATOM 277 ND2 ASN A 20 8.216 6.585 -12.024 1.00 0.00 N ATOM 0 H ASN A 20 6.879 9.171 -9.239 1.00 0.00 H new ATOM 0 HA ASN A 20 7.131 10.486 -11.862 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.077 7.657 -11.419 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.127 8.512 -12.948 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.130 6.152 -12.157 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.419 6.017 -11.735 1.00 0.00 H new ATOM 284 N ASP A 21 4.430 10.290 -12.010 1.00 0.00 N ATOM 285 CA ASP A 21 3.030 10.656 -11.875 1.00 0.00 C ATOM 286 C ASP A 21 2.161 9.413 -12.081 1.00 0.00 C ATOM 287 O ASP A 21 1.017 9.518 -12.521 1.00 0.00 O ATOM 288 CB ASP A 21 2.627 11.694 -12.924 1.00 0.00 C ATOM 289 CG ASP A 21 3.112 13.118 -12.643 1.00 0.00 C ATOM 290 OD1 ASP A 21 4.115 13.242 -11.908 1.00 0.00 O ATOM 291 OD2 ASP A 21 2.467 14.050 -13.171 1.00 0.00 O ATOM 0 H ASP A 21 4.753 10.188 -12.972 1.00 0.00 H new ATOM 0 HA ASP A 21 2.886 11.076 -10.880 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.014 11.379 -13.893 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.540 11.705 -13.003 1.00 0.00 H new ATOM 296 N ASP A 22 2.738 8.266 -11.753 1.00 0.00 N ATOM 297 CA ASP A 22 2.030 7.005 -11.897 1.00 0.00 C ATOM 298 C ASP A 22 2.335 6.114 -10.691 1.00 0.00 C ATOM 299 O ASP A 22 2.057 4.916 -10.715 1.00 0.00 O ATOM 300 CB ASP A 22 2.477 6.263 -13.158 1.00 0.00 C ATOM 301 CG ASP A 22 1.340 5.703 -14.016 1.00 0.00 C ATOM 302 OD1 ASP A 22 0.213 5.624 -13.483 1.00 0.00 O ATOM 303 OD2 ASP A 22 1.625 5.367 -15.186 1.00 0.00 O ATOM 0 H ASP A 22 3.687 8.184 -11.388 1.00 0.00 H new ATOM 0 HA ASP A 22 0.964 7.222 -11.966 1.00 0.00 H new ATOM 0 HB2 ASP A 22 3.073 6.941 -13.769 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.130 5.441 -12.865 1.00 0.00 H new ATOM 308 N GLU A 23 2.901 6.733 -9.666 1.00 0.00 N ATOM 309 CA GLU A 23 3.247 6.011 -8.454 1.00 0.00 C ATOM 310 C GLU A 23 2.406 6.513 -7.279 1.00 0.00 C ATOM 311 O GLU A 23 1.813 7.589 -7.350 1.00 0.00 O ATOM 312 CB GLU A 23 4.742 6.132 -8.150 1.00 0.00 C ATOM 313 CG GLU A 23 5.524 4.977 -8.778 1.00 0.00 C ATOM 314 CD GLU A 23 6.657 4.518 -7.857 1.00 0.00 C ATOM 315 OE1 GLU A 23 6.328 3.951 -6.793 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.825 4.745 -8.238 1.00 0.00 O ATOM 0 H GLU A 23 3.129 7.727 -9.650 1.00 0.00 H new ATOM 0 HA GLU A 23 3.026 4.955 -8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.119 7.081 -8.532 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.898 6.138 -7.071 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.851 4.143 -8.976 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.935 5.290 -9.738 1.00 0.00 H new ATOM 323 N LEU A 24 2.381 5.711 -6.224 1.00 0.00 N ATOM 324 CA LEU A 24 1.623 6.062 -5.035 1.00 0.00 C ATOM 325 C LEU A 24 2.552 6.733 -4.022 1.00 0.00 C ATOM 326 O LEU A 24 3.745 6.436 -3.977 1.00 0.00 O ATOM 327 CB LEU A 24 0.895 4.834 -4.483 1.00 0.00 C ATOM 328 CG LEU A 24 -0.522 4.600 -5.011 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.245 3.534 -4.187 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.309 5.911 -5.069 1.00 0.00 C ATOM 0 H LEU A 24 2.873 4.820 -6.168 1.00 0.00 H new ATOM 0 HA LEU A 24 0.844 6.784 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.494 3.951 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.847 4.922 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.448 4.223 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.250 3.387 -4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.693 2.596 -4.241 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.309 3.858 -3.148 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.312 5.717 -5.448 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.375 6.340 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.801 6.612 -5.732 1.00 0.00 H new ATOM 342 N GLU A 25 1.970 7.625 -3.234 1.00 0.00 N ATOM 343 CA GLU A 25 2.731 8.341 -2.225 1.00 0.00 C ATOM 344 C GLU A 25 2.437 7.772 -0.835 1.00 0.00 C ATOM 345 O GLU A 25 1.434 8.124 -0.216 1.00 0.00 O ATOM 346 CB GLU A 25 2.435 9.841 -2.276 1.00 0.00 C ATOM 347 CG GLU A 25 3.180 10.586 -1.166 1.00 0.00 C ATOM 348 CD GLU A 25 2.816 12.072 -1.163 1.00 0.00 C ATOM 349 OE1 GLU A 25 1.599 12.358 -1.189 1.00 0.00 O ATOM 350 OE2 GLU A 25 3.762 12.888 -1.134 1.00 0.00 O ATOM 0 H GLU A 25 0.980 7.868 -3.274 1.00 0.00 H new ATOM 0 HA GLU A 25 3.792 8.206 -2.435 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.728 10.240 -3.247 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.363 10.007 -2.174 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.934 10.146 -0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.255 10.472 -1.304 1.00 0.00 H new ATOM 357 N LEU A 26 3.330 6.902 -0.386 1.00 0.00 N ATOM 358 CA LEU A 26 3.178 6.280 0.919 1.00 0.00 C ATOM 359 C LEU A 26 3.507 7.304 2.007 1.00 0.00 C ATOM 360 O LEU A 26 4.522 7.994 1.929 1.00 0.00 O ATOM 361 CB LEU A 26 4.014 5.002 1.003 1.00 0.00 C ATOM 362 CG LEU A 26 3.964 4.085 -0.220 1.00 0.00 C ATOM 363 CD1 LEU A 26 5.038 2.999 -0.136 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.564 3.494 -0.406 1.00 0.00 C ATOM 0 H LEU A 26 4.161 6.613 -0.902 1.00 0.00 H new ATOM 0 HA LEU A 26 2.145 5.968 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.052 5.282 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.685 4.433 1.872 1.00 0.00 H new ATOM 0 HG LEU A 26 4.181 4.684 -1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.980 2.361 -1.018 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.023 3.464 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.878 2.397 0.758 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.556 2.846 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.294 2.914 0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.844 4.301 -0.545 1.00 0.00 H new ATOM 376 N LYS A 27 2.630 7.369 2.998 1.00 0.00 N ATOM 377 CA LYS A 27 2.815 8.296 4.101 1.00 0.00 C ATOM 378 C LYS A 27 2.581 7.562 5.423 1.00 0.00 C ATOM 379 O LYS A 27 1.481 7.077 5.682 1.00 0.00 O ATOM 380 CB LYS A 27 1.929 9.530 3.918 1.00 0.00 C ATOM 381 CG LYS A 27 2.746 10.722 3.414 1.00 0.00 C ATOM 382 CD LYS A 27 2.029 12.041 3.708 1.00 0.00 C ATOM 383 CE LYS A 27 2.924 13.237 3.376 1.00 0.00 C ATOM 384 NZ LYS A 27 2.124 14.337 2.793 1.00 0.00 N ATOM 0 H LYS A 27 1.789 6.795 3.060 1.00 0.00 H new ATOM 0 HA LYS A 27 3.840 8.667 4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.130 9.307 3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.454 9.785 4.865 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.727 10.723 3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.913 10.626 2.341 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.110 12.097 3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.743 12.077 4.759 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.427 13.584 4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.701 12.933 2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.747 15.141 2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.664 14.007 1.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.398 14.637 3.475 1.00 0.00 H new ATOM 398 N VAL A 28 3.634 7.505 6.226 1.00 0.00 N ATOM 399 CA VAL A 28 3.558 6.838 7.514 1.00 0.00 C ATOM 400 C VAL A 28 2.155 7.023 8.097 1.00 0.00 C ATOM 401 O VAL A 28 1.781 8.129 8.484 1.00 0.00 O ATOM 402 CB VAL A 28 4.662 7.357 8.438 1.00 0.00 C ATOM 403 CG1 VAL A 28 4.566 6.713 9.823 1.00 0.00 C ATOM 404 CG2 VAL A 28 6.044 7.130 7.822 1.00 0.00 C ATOM 0 H VAL A 28 4.545 7.910 6.009 1.00 0.00 H new ATOM 0 HA VAL A 28 3.725 5.767 7.400 1.00 0.00 H new ATOM 0 HB VAL A 28 4.521 8.431 8.558 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.362 7.099 10.460 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.599 6.949 10.268 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.669 5.632 9.729 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.810 7.508 8.499 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.198 6.064 7.658 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.109 7.657 6.870 1.00 0.00 H new ATOM 414 N GLY A 29 1.418 5.923 8.141 1.00 0.00 N ATOM 415 CA GLY A 29 0.065 5.950 8.669 1.00 0.00 C ATOM 416 C GLY A 29 -0.959 5.647 7.573 1.00 0.00 C ATOM 417 O GLY A 29 -1.986 5.023 7.833 1.00 0.00 O ATOM 0 H GLY A 29 1.732 5.007 7.820 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.030 5.219 9.472 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.140 6.929 9.103 1.00 0.00 H new ATOM 421 N ASP A 30 -0.642 6.102 6.370 1.00 0.00 N ATOM 422 CA ASP A 30 -1.521 5.887 5.233 1.00 0.00 C ATOM 423 C ASP A 30 -1.897 4.406 5.158 1.00 0.00 C ATOM 424 O ASP A 30 -1.045 3.536 5.333 1.00 0.00 O ATOM 425 CB ASP A 30 -0.828 6.266 3.922 1.00 0.00 C ATOM 426 CG ASP A 30 -0.643 7.769 3.700 1.00 0.00 C ATOM 427 OD1 ASP A 30 -0.522 8.483 4.719 1.00 0.00 O ATOM 428 OD2 ASP A 30 -0.627 8.169 2.516 1.00 0.00 O ATOM 0 H ASP A 30 0.211 6.619 6.158 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.405 6.510 5.367 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.150 5.787 3.894 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.406 5.860 3.092 1.00 0.00 H new ATOM 433 N ILE A 31 -3.173 4.165 4.897 1.00 0.00 N ATOM 434 CA ILE A 31 -3.673 2.805 4.796 1.00 0.00 C ATOM 435 C ILE A 31 -4.077 2.520 3.348 1.00 0.00 C ATOM 436 O ILE A 31 -5.165 2.900 2.918 1.00 0.00 O ATOM 437 CB ILE A 31 -4.798 2.571 5.806 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.315 2.830 7.235 1.00 0.00 C ATOM 439 CG2 ILE A 31 -5.395 1.171 5.648 1.00 0.00 C ATOM 440 CD1 ILE A 31 -5.445 2.613 8.243 1.00 0.00 C ATOM 0 H ILE A 31 -3.876 4.889 4.752 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.890 2.092 5.055 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.595 3.286 5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.483 2.166 7.468 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.941 3.850 7.317 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.192 1.031 6.378 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.800 1.060 4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.618 0.424 5.811 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.075 2.803 9.251 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.265 3.296 8.022 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.800 1.585 8.175 1.00 0.00 H new ATOM 452 N ILE A 32 -3.179 1.854 2.637 1.00 0.00 N ATOM 453 CA ILE A 32 -3.429 1.514 1.246 1.00 0.00 C ATOM 454 C ILE A 32 -4.293 0.254 1.181 1.00 0.00 C ATOM 455 O ILE A 32 -3.898 -0.801 1.677 1.00 0.00 O ATOM 456 CB ILE A 32 -2.111 1.397 0.478 1.00 0.00 C ATOM 457 CG1 ILE A 32 -1.725 2.734 -0.157 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.176 0.269 -0.554 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.219 2.980 -0.046 1.00 0.00 C ATOM 0 H ILE A 32 -2.278 1.541 2.998 1.00 0.00 H new ATOM 0 HA ILE A 32 -3.988 2.310 0.754 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.324 1.139 1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.022 2.742 -1.206 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.266 3.543 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.227 0.207 -1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.370 -0.677 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.977 0.472 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.028 3.937 -0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.071 2.996 1.005 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.319 2.182 -0.558 1.00 0.00 H new ATOM 471 N GLU A 33 -5.457 0.403 0.565 1.00 0.00 N ATOM 472 CA GLU A 33 -6.380 -0.710 0.429 1.00 0.00 C ATOM 473 C GLU A 33 -5.905 -1.662 -0.671 1.00 0.00 C ATOM 474 O GLU A 33 -6.393 -1.606 -1.799 1.00 0.00 O ATOM 475 CB GLU A 33 -7.800 -0.214 0.149 1.00 0.00 C ATOM 476 CG GLU A 33 -8.653 -0.249 1.418 1.00 0.00 C ATOM 477 CD GLU A 33 -10.104 0.129 1.114 1.00 0.00 C ATOM 478 OE1 GLU A 33 -10.822 -0.749 0.589 1.00 0.00 O ATOM 479 OE2 GLU A 33 -10.463 1.288 1.414 1.00 0.00 O ATOM 0 H GLU A 33 -5.782 1.279 0.154 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.401 -1.257 1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.763 0.803 -0.241 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.261 -0.834 -0.620 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.618 -1.246 1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.241 0.439 2.156 1.00 0.00 H new ATOM 486 N VAL A 34 -4.959 -2.514 -0.304 1.00 0.00 N ATOM 487 CA VAL A 34 -4.413 -3.476 -1.246 1.00 0.00 C ATOM 488 C VAL A 34 -5.553 -4.091 -2.059 1.00 0.00 C ATOM 489 O VAL A 34 -6.360 -4.852 -1.526 1.00 0.00 O ATOM 490 CB VAL A 34 -3.578 -4.520 -0.501 1.00 0.00 C ATOM 491 CG1 VAL A 34 -3.004 -5.556 -1.471 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.466 -3.855 0.312 1.00 0.00 C ATOM 0 H VAL A 34 -4.557 -2.558 0.632 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.742 -2.984 -1.950 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.236 -5.040 0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.415 -6.286 -0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.820 -6.063 -1.986 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.368 -5.057 -2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.888 -4.619 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.811 -3.296 -0.356 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.906 -3.175 1.041 1.00 0.00 H new ATOM 502 N VAL A 35 -5.584 -3.739 -3.336 1.00 0.00 N ATOM 503 CA VAL A 35 -6.612 -4.247 -4.228 1.00 0.00 C ATOM 504 C VAL A 35 -6.045 -5.412 -5.042 1.00 0.00 C ATOM 505 O VAL A 35 -6.758 -6.366 -5.348 1.00 0.00 O ATOM 506 CB VAL A 35 -7.153 -3.114 -5.102 1.00 0.00 C ATOM 507 CG1 VAL A 35 -8.033 -2.165 -4.286 1.00 0.00 C ATOM 508 CG2 VAL A 35 -6.013 -2.355 -5.784 1.00 0.00 C ATOM 0 H VAL A 35 -4.913 -3.108 -3.774 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.457 -4.631 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.772 -3.558 -5.881 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.405 -1.369 -4.931 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.875 -2.718 -3.869 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.447 -1.732 -3.476 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.425 -1.555 -6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.356 -1.928 -5.026 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.445 -3.040 -6.413 1.00 0.00 H new ATOM 518 N GLY A 36 -4.767 -5.295 -5.371 1.00 0.00 N ATOM 519 CA GLY A 36 -4.096 -6.326 -6.144 1.00 0.00 C ATOM 520 C GLY A 36 -2.586 -6.305 -5.893 1.00 0.00 C ATOM 521 O GLY A 36 -2.137 -5.892 -4.825 1.00 0.00 O ATOM 0 H GLY A 36 -4.178 -4.502 -5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.499 -7.304 -5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.294 -6.176 -7.205 1.00 0.00 H new ATOM 525 N GLU A 37 -1.846 -6.755 -6.895 1.00 0.00 N ATOM 526 CA GLU A 37 -0.396 -6.793 -6.796 1.00 0.00 C ATOM 527 C GLU A 37 0.234 -6.662 -8.184 1.00 0.00 C ATOM 528 O GLU A 37 -0.092 -7.425 -9.092 1.00 0.00 O ATOM 529 CB GLU A 37 0.072 -8.071 -6.100 1.00 0.00 C ATOM 530 CG GLU A 37 1.556 -8.330 -6.369 1.00 0.00 C ATOM 531 CD GLU A 37 1.739 -9.396 -7.451 1.00 0.00 C ATOM 532 OE1 GLU A 37 1.617 -10.589 -7.098 1.00 0.00 O ATOM 533 OE2 GLU A 37 1.998 -8.994 -8.606 1.00 0.00 O ATOM 0 H GLU A 37 -2.222 -7.096 -7.779 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.070 -5.948 -6.189 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.098 -7.988 -5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.518 -8.918 -6.451 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.040 -7.404 -6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.045 -8.652 -5.450 1.00 0.00 H new ATOM 540 N VAL A 38 1.125 -5.688 -8.305 1.00 0.00 N ATOM 541 CA VAL A 38 1.804 -5.448 -9.567 1.00 0.00 C ATOM 542 C VAL A 38 2.780 -6.593 -9.843 1.00 0.00 C ATOM 543 O VAL A 38 2.501 -7.467 -10.662 1.00 0.00 O ATOM 544 CB VAL A 38 2.482 -4.077 -9.543 1.00 0.00 C ATOM 545 CG1 VAL A 38 3.147 -3.770 -10.887 1.00 0.00 C ATOM 546 CG2 VAL A 38 1.487 -2.979 -9.160 1.00 0.00 C ATOM 0 H VAL A 38 1.392 -5.056 -7.550 1.00 0.00 H new ATOM 0 HA VAL A 38 1.088 -5.428 -10.388 1.00 0.00 H new ATOM 0 HB VAL A 38 3.262 -4.103 -8.782 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.621 -2.790 -10.843 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.900 -4.528 -11.102 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.394 -3.773 -11.675 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.995 -2.015 -9.150 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.675 -2.954 -9.887 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.081 -3.185 -8.170 1.00 0.00 H new ATOM 556 N GLU A 39 3.904 -6.552 -9.143 1.00 0.00 N ATOM 557 CA GLU A 39 4.923 -7.575 -9.302 1.00 0.00 C ATOM 558 C GLU A 39 5.660 -7.801 -7.980 1.00 0.00 C ATOM 559 O GLU A 39 5.375 -7.135 -6.986 1.00 0.00 O ATOM 560 CB GLU A 39 5.901 -7.206 -10.419 1.00 0.00 C ATOM 561 CG GLU A 39 6.790 -6.032 -10.004 1.00 0.00 C ATOM 562 CD GLU A 39 6.293 -4.723 -10.620 1.00 0.00 C ATOM 563 OE1 GLU A 39 5.996 -4.744 -11.834 1.00 0.00 O ATOM 564 OE2 GLU A 39 6.222 -3.731 -9.863 1.00 0.00 O ATOM 0 H GLU A 39 4.131 -5.826 -8.464 1.00 0.00 H new ATOM 0 HA GLU A 39 4.433 -8.506 -9.586 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.522 -8.068 -10.663 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.347 -6.946 -11.321 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.801 -5.946 -8.917 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.817 -6.220 -10.319 1.00 0.00 H new ATOM 571 N GLU A 40 6.593 -8.741 -8.013 1.00 0.00 N ATOM 572 CA GLU A 40 7.373 -9.062 -6.830 1.00 0.00 C ATOM 573 C GLU A 40 7.951 -7.787 -6.213 1.00 0.00 C ATOM 574 O GLU A 40 8.716 -7.072 -6.859 1.00 0.00 O ATOM 575 CB GLU A 40 8.481 -10.064 -7.159 1.00 0.00 C ATOM 576 CG GLU A 40 8.957 -10.789 -5.899 1.00 0.00 C ATOM 577 CD GLU A 40 10.485 -10.828 -5.832 1.00 0.00 C ATOM 578 OE1 GLU A 40 11.093 -11.095 -6.892 1.00 0.00 O ATOM 579 OE2 GLU A 40 11.011 -10.590 -4.724 1.00 0.00 O ATOM 0 H GLU A 40 6.826 -9.290 -8.840 1.00 0.00 H new ATOM 0 HA GLU A 40 6.713 -9.528 -6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.115 -10.791 -7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.320 -9.545 -7.623 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.564 -10.286 -5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.563 -11.805 -5.889 1.00 0.00 H new ATOM 586 N GLY A 41 7.565 -7.541 -4.970 1.00 0.00 N ATOM 587 CA GLY A 41 8.035 -6.365 -4.259 1.00 0.00 C ATOM 588 C GLY A 41 7.188 -5.139 -4.606 1.00 0.00 C ATOM 589 O GLY A 41 7.432 -4.047 -4.094 1.00 0.00 O ATOM 0 H GLY A 41 6.932 -8.137 -4.437 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.997 -6.546 -3.185 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.078 -6.175 -4.513 1.00 0.00 H new ATOM 593 N TRP A 42 6.211 -5.360 -5.472 1.00 0.00 N ATOM 594 CA TRP A 42 5.327 -4.287 -5.894 1.00 0.00 C ATOM 595 C TRP A 42 3.885 -4.782 -5.759 1.00 0.00 C ATOM 596 O TRP A 42 3.525 -5.815 -6.321 1.00 0.00 O ATOM 597 CB TRP A 42 5.669 -3.819 -7.310 1.00 0.00 C ATOM 598 CG TRP A 42 7.026 -3.123 -7.424 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.231 -3.687 -7.588 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.270 -1.702 -7.377 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.230 -2.737 -7.650 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.627 -1.491 -7.517 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.375 -0.629 -7.221 1.00 0.00 C ATOM 604 CZ2 TRP A 42 9.209 -0.218 -7.516 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.973 0.637 -7.221 1.00 0.00 C ATOM 606 CH2 TRP A 42 8.336 0.866 -7.361 1.00 0.00 C ATOM 0 H TRP A 42 6.012 -6.267 -5.894 1.00 0.00 H new ATOM 0 HA TRP A 42 5.455 -3.410 -5.260 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.656 -4.679 -7.979 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.892 -3.136 -7.654 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.399 -4.751 -7.662 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.227 -2.916 -7.771 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.310 -0.770 -7.110 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.274 -0.079 -7.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.329 1.496 -7.104 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.721 1.875 -7.350 1.00 0.00 H new ATOM 617 N TRP A 43 3.100 -4.022 -5.011 1.00 0.00 N ATOM 618 CA TRP A 43 1.706 -4.370 -4.795 1.00 0.00 C ATOM 619 C TRP A 43 0.843 -3.249 -5.377 1.00 0.00 C ATOM 620 O TRP A 43 1.349 -2.177 -5.704 1.00 0.00 O ATOM 621 CB TRP A 43 1.428 -4.630 -3.314 1.00 0.00 C ATOM 622 CG TRP A 43 1.896 -6.002 -2.824 1.00 0.00 C ATOM 623 CD1 TRP A 43 2.453 -6.988 -3.541 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.825 -6.503 -1.472 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.745 -8.083 -2.753 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.351 -7.779 -1.456 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.333 -5.898 -0.303 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.435 -8.558 -0.296 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.424 -6.690 0.848 1.00 0.00 C ATOM 630 CH2 TRP A 43 1.950 -7.976 0.882 1.00 0.00 C ATOM 0 H TRP A 43 3.403 -3.166 -4.546 1.00 0.00 H new ATOM 0 HA TRP A 43 1.458 -5.301 -5.305 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.919 -3.857 -2.722 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.357 -4.537 -3.134 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.649 -6.933 -4.602 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.172 -8.955 -3.066 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.918 -4.901 -0.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 2.851 -9.554 -0.309 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.060 -6.272 1.775 1.00 0.00 H new ATOM 0 HH2 TRP A 43 1.985 -8.524 1.812 1.00 0.00 H new ATOM 641 N GLU A 44 -0.446 -3.535 -5.489 1.00 0.00 N ATOM 642 CA GLU A 44 -1.384 -2.563 -6.026 1.00 0.00 C ATOM 643 C GLU A 44 -2.486 -2.269 -5.006 1.00 0.00 C ATOM 644 O GLU A 44 -3.129 -3.187 -4.499 1.00 0.00 O ATOM 645 CB GLU A 44 -1.979 -3.049 -7.350 1.00 0.00 C ATOM 646 CG GLU A 44 -2.543 -1.880 -8.159 1.00 0.00 C ATOM 647 CD GLU A 44 -2.567 -2.208 -9.653 1.00 0.00 C ATOM 648 OE1 GLU A 44 -1.545 -1.922 -10.314 1.00 0.00 O ATOM 649 OE2 GLU A 44 -3.607 -2.738 -10.101 1.00 0.00 O ATOM 0 H GLU A 44 -0.863 -4.425 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.844 -1.638 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.212 -3.562 -7.931 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.768 -3.774 -7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.552 -1.650 -7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.938 -0.990 -7.988 1.00 0.00 H new ATOM 656 N GLY A 45 -2.669 -0.985 -4.734 1.00 0.00 N ATOM 657 CA GLY A 45 -3.681 -0.559 -3.783 1.00 0.00 C ATOM 658 C GLY A 45 -4.112 0.885 -4.052 1.00 0.00 C ATOM 659 O GLY A 45 -3.690 1.489 -5.036 1.00 0.00 O ATOM 0 H GLY A 45 -2.133 -0.226 -5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.546 -1.219 -3.847 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.291 -0.643 -2.769 1.00 0.00 H new ATOM 663 N VAL A 46 -4.948 1.395 -3.160 1.00 0.00 N ATOM 664 CA VAL A 46 -5.441 2.756 -3.288 1.00 0.00 C ATOM 665 C VAL A 46 -4.845 3.617 -2.174 1.00 0.00 C ATOM 666 O VAL A 46 -4.302 3.093 -1.202 1.00 0.00 O ATOM 667 CB VAL A 46 -6.971 2.760 -3.293 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.518 4.058 -2.697 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.516 2.532 -4.705 1.00 0.00 C ATOM 0 H VAL A 46 -5.297 0.890 -2.345 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.125 3.189 -4.237 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.310 1.935 -2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.608 4.035 -2.713 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.172 4.160 -1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.165 4.905 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.606 2.539 -4.680 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.163 3.325 -5.364 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.168 1.569 -5.078 1.00 0.00 H new ATOM 679 N LEU A 47 -4.966 4.925 -2.351 1.00 0.00 N ATOM 680 CA LEU A 47 -4.445 5.864 -1.372 1.00 0.00 C ATOM 681 C LEU A 47 -5.309 7.126 -1.373 1.00 0.00 C ATOM 682 O LEU A 47 -5.044 8.064 -2.123 1.00 0.00 O ATOM 683 CB LEU A 47 -2.961 6.134 -1.626 1.00 0.00 C ATOM 684 CG LEU A 47 -2.303 7.173 -0.715 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.315 6.710 0.743 1.00 0.00 C ATOM 686 CD2 LEU A 47 -0.891 7.510 -1.198 1.00 0.00 C ATOM 0 H LEU A 47 -5.417 5.356 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.501 5.440 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.418 5.194 -1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.843 6.459 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.888 8.091 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.842 7.466 1.369 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.344 6.562 1.069 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.768 5.772 0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.446 8.250 -0.533 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.281 6.607 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.939 7.913 -2.210 1.00 0.00 H new ATOM 698 N ASN A 48 -6.326 7.109 -0.523 1.00 0.00 N ATOM 699 CA ASN A 48 -7.231 8.241 -0.417 1.00 0.00 C ATOM 700 C ASN A 48 -7.891 8.491 -1.775 1.00 0.00 C ATOM 701 O ASN A 48 -7.922 9.623 -2.254 1.00 0.00 O ATOM 702 CB ASN A 48 -6.479 9.511 -0.015 1.00 0.00 C ATOM 703 CG ASN A 48 -6.465 9.683 1.505 1.00 0.00 C ATOM 704 OD1 ASN A 48 -7.473 9.956 2.135 1.00 0.00 O ATOM 705 ND2 ASN A 48 -5.268 9.508 2.057 1.00 0.00 N ATOM 0 H ASN A 48 -6.543 6.330 0.098 1.00 0.00 H new ATOM 0 HA ASN A 48 -7.976 8.007 0.344 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.456 9.466 -0.389 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -6.949 10.378 -0.478 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.153 9.601 3.066 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.465 9.281 1.471 1.00 0.00 H new ATOM 712 N GLY A 49 -8.401 7.415 -2.355 1.00 0.00 N ATOM 713 CA GLY A 49 -9.058 7.504 -3.648 1.00 0.00 C ATOM 714 C GLY A 49 -8.057 7.299 -4.787 1.00 0.00 C ATOM 715 O GLY A 49 -8.390 6.705 -5.812 1.00 0.00 O ATOM 0 H GLY A 49 -8.373 6.478 -1.954 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.846 6.753 -3.712 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.537 8.478 -3.751 1.00 0.00 H new ATOM 719 N LYS A 50 -6.851 7.802 -4.570 1.00 0.00 N ATOM 720 CA LYS A 50 -5.799 7.681 -5.565 1.00 0.00 C ATOM 721 C LYS A 50 -5.432 6.206 -5.736 1.00 0.00 C ATOM 722 O LYS A 50 -5.979 5.343 -5.052 1.00 0.00 O ATOM 723 CB LYS A 50 -4.611 8.573 -5.199 1.00 0.00 C ATOM 724 CG LYS A 50 -3.922 9.111 -6.455 1.00 0.00 C ATOM 725 CD LYS A 50 -3.482 10.563 -6.259 1.00 0.00 C ATOM 726 CE LYS A 50 -1.989 10.644 -5.931 1.00 0.00 C ATOM 727 NZ LYS A 50 -1.726 11.750 -4.983 1.00 0.00 N ATOM 0 H LYS A 50 -6.579 8.295 -3.719 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.148 8.037 -6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.952 9.405 -4.583 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.896 8.006 -4.602 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.056 8.493 -6.692 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.602 9.045 -7.304 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.691 11.135 -7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.060 11.016 -5.454 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.653 9.701 -5.500 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.417 10.798 -6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.709 11.791 -4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.028 12.650 -5.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.257 11.587 -4.103 1.00 0.00 H new ATOM 741 N THR A 51 -4.507 5.962 -6.654 1.00 0.00 N ATOM 742 CA THR A 51 -4.060 4.607 -6.924 1.00 0.00 C ATOM 743 C THR A 51 -2.666 4.620 -7.555 1.00 0.00 C ATOM 744 O THR A 51 -2.170 5.674 -7.948 1.00 0.00 O ATOM 745 CB THR A 51 -5.116 3.926 -7.797 1.00 0.00 C ATOM 746 OG1 THR A 51 -6.337 4.133 -7.092 1.00 0.00 O ATOM 747 CG2 THR A 51 -4.957 2.404 -7.829 1.00 0.00 C ATOM 0 H THR A 51 -4.055 6.681 -7.220 1.00 0.00 H new ATOM 0 HA THR A 51 -3.959 4.033 -6.003 1.00 0.00 H new ATOM 0 HB THR A 51 -5.055 4.319 -8.812 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.153 4.201 -6.132 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.731 1.971 -8.462 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.976 2.149 -8.229 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.051 2.007 -6.818 1.00 0.00 H new ATOM 755 N GLY A 52 -2.075 3.437 -7.631 1.00 0.00 N ATOM 756 CA GLY A 52 -0.748 3.300 -8.207 1.00 0.00 C ATOM 757 C GLY A 52 -0.065 2.023 -7.712 1.00 0.00 C ATOM 758 O GLY A 52 -0.710 1.158 -7.122 1.00 0.00 O ATOM 0 H GLY A 52 -2.490 2.565 -7.304 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.820 3.280 -9.294 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.142 4.167 -7.943 1.00 0.00 H new ATOM 762 N MET A 53 1.232 1.946 -7.971 1.00 0.00 N ATOM 763 CA MET A 53 2.010 0.790 -7.559 1.00 0.00 C ATOM 764 C MET A 53 3.061 1.180 -6.517 1.00 0.00 C ATOM 765 O MET A 53 3.909 2.033 -6.775 1.00 0.00 O ATOM 766 CB MET A 53 2.702 0.179 -8.779 1.00 0.00 C ATOM 767 CG MET A 53 3.297 1.268 -9.674 1.00 0.00 C ATOM 768 SD MET A 53 4.193 0.523 -11.027 1.00 0.00 S ATOM 769 CE MET A 53 5.674 0.011 -10.172 1.00 0.00 C ATOM 0 H MET A 53 1.764 2.665 -8.461 1.00 0.00 H new ATOM 0 HA MET A 53 1.334 0.061 -7.111 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.490 -0.499 -8.453 1.00 0.00 H new ATOM 0 HB3 MET A 53 1.986 -0.414 -9.348 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.503 1.907 -10.061 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.963 1.905 -9.092 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.481 -0.126 -10.892 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.959 0.775 -9.449 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.488 -0.929 -9.652 1.00 0.00 H new ATOM 779 N PHE A 54 2.971 0.535 -5.363 1.00 0.00 N ATOM 780 CA PHE A 54 3.904 0.804 -4.282 1.00 0.00 C ATOM 781 C PHE A 54 4.618 -0.477 -3.843 1.00 0.00 C ATOM 782 O PHE A 54 4.119 -1.578 -4.069 1.00 0.00 O ATOM 783 CB PHE A 54 3.085 1.344 -3.108 1.00 0.00 C ATOM 784 CG PHE A 54 2.248 0.283 -2.392 1.00 0.00 C ATOM 785 CD1 PHE A 54 1.077 -0.142 -2.936 1.00 0.00 C ATOM 786 CD2 PHE A 54 2.676 -0.237 -1.210 1.00 0.00 C ATOM 787 CE1 PHE A 54 0.301 -1.128 -2.271 1.00 0.00 C ATOM 788 CE2 PHE A 54 1.900 -1.222 -0.544 1.00 0.00 C ATOM 789 CZ PHE A 54 0.728 -1.647 -1.089 1.00 0.00 C ATOM 0 H PHE A 54 2.267 -0.173 -5.153 1.00 0.00 H new ATOM 0 HA PHE A 54 4.661 1.516 -4.612 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.761 1.805 -2.388 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.423 2.130 -3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.737 0.270 -3.874 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.607 0.100 -0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.629 -1.466 -2.704 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.240 -1.634 0.395 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.137 -2.396 -0.583 1.00 0.00 H new ATOM 799 N PRO A 55 5.804 -0.284 -3.207 1.00 0.00 N ATOM 800 CA PRO A 55 6.592 -1.410 -2.735 1.00 0.00 C ATOM 801 C PRO A 55 5.975 -2.020 -1.474 1.00 0.00 C ATOM 802 O PRO A 55 5.537 -1.296 -0.581 1.00 0.00 O ATOM 803 CB PRO A 55 7.984 -0.847 -2.503 1.00 0.00 C ATOM 804 CG PRO A 55 7.814 0.660 -2.407 1.00 0.00 C ATOM 805 CD PRO A 55 6.426 1.006 -2.922 1.00 0.00 C ATOM 0 HA PRO A 55 6.624 -2.231 -3.451 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.421 -1.250 -1.589 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.654 -1.113 -3.321 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.932 0.993 -1.376 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.577 1.169 -2.996 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.856 1.565 -2.180 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.479 1.626 -3.817 1.00 0.00 H new ATOM 813 N SER A 56 5.962 -3.344 -1.441 1.00 0.00 N ATOM 814 CA SER A 56 5.407 -4.059 -0.304 1.00 0.00 C ATOM 815 C SER A 56 6.474 -4.229 0.779 1.00 0.00 C ATOM 816 O SER A 56 6.196 -4.766 1.850 1.00 0.00 O ATOM 817 CB SER A 56 4.856 -5.423 -0.726 1.00 0.00 C ATOM 818 OG SER A 56 4.793 -6.334 0.367 1.00 0.00 O ATOM 0 H SER A 56 6.327 -3.941 -2.183 1.00 0.00 H new ATOM 0 HA SER A 56 4.581 -3.473 0.098 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.860 -5.296 -1.150 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.486 -5.841 -1.511 1.00 0.00 H new ATOM 0 HG SER A 56 3.990 -6.890 0.284 1.00 0.00 H new ATOM 824 N ASN A 57 7.672 -3.762 0.463 1.00 0.00 N ATOM 825 CA ASN A 57 8.782 -3.855 1.395 1.00 0.00 C ATOM 826 C ASN A 57 8.828 -2.591 2.256 1.00 0.00 C ATOM 827 O ASN A 57 9.826 -2.327 2.925 1.00 0.00 O ATOM 828 CB ASN A 57 10.116 -3.972 0.655 1.00 0.00 C ATOM 829 CG ASN A 57 11.143 -4.737 1.491 1.00 0.00 C ATOM 830 OD1 ASN A 57 11.763 -4.207 2.398 1.00 0.00 O ATOM 831 ND2 ASN A 57 11.288 -6.011 1.137 1.00 0.00 N ATOM 0 H ASN A 57 7.899 -3.317 -0.427 1.00 0.00 H new ATOM 0 HA ASN A 57 8.632 -4.743 2.009 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.964 -4.482 -0.296 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.497 -2.977 0.426 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.950 -6.607 1.635 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.737 -6.392 0.368 1.00 0.00 H new ATOM 838 N PHE A 58 7.736 -1.843 2.210 1.00 0.00 N ATOM 839 CA PHE A 58 7.639 -0.613 2.977 1.00 0.00 C ATOM 840 C PHE A 58 6.248 -0.460 3.596 1.00 0.00 C ATOM 841 O PHE A 58 5.723 0.649 3.687 1.00 0.00 O ATOM 842 CB PHE A 58 7.880 0.542 2.003 1.00 0.00 C ATOM 843 CG PHE A 58 9.314 0.622 1.475 1.00 0.00 C ATOM 844 CD1 PHE A 58 9.771 -0.318 0.604 1.00 0.00 C ATOM 845 CD2 PHE A 58 10.131 1.631 1.877 1.00 0.00 C ATOM 846 CE1 PHE A 58 11.102 -0.244 0.114 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.462 1.705 1.387 1.00 0.00 C ATOM 848 CZ PHE A 58 11.919 0.766 0.516 1.00 0.00 C ATOM 0 H PHE A 58 6.911 -2.065 1.653 1.00 0.00 H new ATOM 0 HA PHE A 58 8.369 -0.622 3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.198 0.440 1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.634 1.480 2.500 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.122 -1.120 0.285 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.768 2.377 2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.465 -0.990 -0.578 1.00 0.00 H new ATOM 0 HE2 PHE A 58 12.111 2.507 1.706 1.00 0.00 H new ATOM 0 HZ PHE A 58 12.931 0.822 0.143 1.00 0.00 H new ATOM 858 N ILE A 59 5.690 -1.590 4.005 1.00 0.00 N ATOM 859 CA ILE A 59 4.370 -1.597 4.612 1.00 0.00 C ATOM 860 C ILE A 59 4.343 -2.614 5.754 1.00 0.00 C ATOM 861 O ILE A 59 5.378 -3.172 6.117 1.00 0.00 O ATOM 862 CB ILE A 59 3.293 -1.835 3.551 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.684 -2.986 2.622 1.00 0.00 C ATOM 864 CG2 ILE A 59 2.993 -0.550 2.776 1.00 0.00 C ATOM 865 CD1 ILE A 59 3.299 -4.336 3.232 1.00 0.00 C ATOM 0 H ILE A 59 6.128 -2.508 3.928 1.00 0.00 H new ATOM 0 HA ILE A 59 4.146 -0.623 5.047 1.00 0.00 H new ATOM 0 HB ILE A 59 2.373 -2.128 4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.190 -2.864 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.758 -2.960 2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.225 -0.747 2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.640 0.217 3.466 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.900 -0.203 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.587 -5.138 2.552 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.813 -4.465 4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.222 -4.368 3.394 1.00 0.00 H new ATOM 877 N LYS A 60 3.150 -2.824 6.289 1.00 0.00 N ATOM 878 CA LYS A 60 2.975 -3.765 7.383 1.00 0.00 C ATOM 879 C LYS A 60 1.561 -4.347 7.328 1.00 0.00 C ATOM 880 O LYS A 60 0.609 -3.720 7.790 1.00 0.00 O ATOM 881 CB LYS A 60 3.316 -3.102 8.719 1.00 0.00 C ATOM 882 CG LYS A 60 2.377 -1.928 9.004 1.00 0.00 C ATOM 883 CD LYS A 60 3.073 -0.864 9.856 1.00 0.00 C ATOM 884 CE LYS A 60 2.370 -0.696 11.204 1.00 0.00 C ATOM 885 NZ LYS A 60 3.134 0.224 12.076 1.00 0.00 N ATOM 0 H LYS A 60 2.294 -2.359 5.986 1.00 0.00 H new ATOM 0 HA LYS A 60 3.668 -4.600 7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.242 -3.835 9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.348 -2.751 8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.045 -1.487 8.064 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.486 -2.287 9.520 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.114 -1.145 10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.079 0.087 9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 60 1.363 -0.308 11.050 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.267 -1.666 11.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.643 0.327 12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.086 -0.162 12.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.210 1.154 11.617 1.00 0.00 H new ATOM 899 N GLU A 61 1.469 -5.540 6.759 1.00 0.00 N ATOM 900 CA GLU A 61 0.187 -6.214 6.638 1.00 0.00 C ATOM 901 C GLU A 61 -0.647 -5.999 7.902 1.00 0.00 C ATOM 902 O GLU A 61 -0.104 -5.712 8.968 1.00 0.00 O ATOM 903 CB GLU A 61 0.376 -7.705 6.353 1.00 0.00 C ATOM 904 CG GLU A 61 1.395 -7.925 5.233 1.00 0.00 C ATOM 905 CD GLU A 61 2.675 -8.566 5.772 1.00 0.00 C ATOM 906 OE1 GLU A 61 3.292 -7.940 6.661 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.006 -9.668 5.285 1.00 0.00 O ATOM 0 H GLU A 61 2.261 -6.057 6.377 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.350 -5.782 5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.710 -8.212 7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.579 -8.149 6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.962 -8.563 4.463 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.633 -6.972 4.761 1.00 0.00 H new ATOM 914 N LEU A 62 -1.954 -6.146 7.742 1.00 0.00 N ATOM 915 CA LEU A 62 -2.869 -5.971 8.858 1.00 0.00 C ATOM 916 C LEU A 62 -4.032 -6.955 8.717 1.00 0.00 C ATOM 917 O LEU A 62 -4.542 -7.165 7.618 1.00 0.00 O ATOM 918 CB LEU A 62 -3.310 -4.510 8.966 1.00 0.00 C ATOM 919 CG LEU A 62 -2.215 -3.462 8.755 1.00 0.00 C ATOM 920 CD1 LEU A 62 -2.815 -2.119 8.333 1.00 0.00 C ATOM 921 CD2 LEU A 62 -1.334 -3.330 9.999 1.00 0.00 C ATOM 0 H LEU A 62 -2.401 -6.384 6.857 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.369 -6.199 9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.099 -4.334 8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.748 -4.355 9.952 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.573 -3.799 7.941 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.015 -1.392 8.190 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.364 -2.243 7.400 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.493 -1.764 9.109 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.564 -2.579 9.822 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.947 -3.028 10.848 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.862 -4.289 10.214 1.00 0.00 H new