USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 491 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 11 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 12 GLN : amide:sc= -0.142 K(o=-0.14,f=-1.8!) USER MOD Single : A 14 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.6) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 169:sc= -0.0095 (180deg=-0.158) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0426 X(o=-0.043,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc=-0.00997 X(o=-0.01,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0475) USER MOD Single : A 41 GLN : amide:sc= -0.127 X(o=-0.13,f=-0.63) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 81:sc= 1.28 USER MOD Single : A 49 ASN : amide:sc= -0.186 K(o=-0.19,f=-0.93) USER MOD Single : A 53 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.1) USER MOD Single : A 55 THR OG1 : rot 91:sc= 1.31 USER MOD Single : A 56 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.8!) USER MOD Single : A 57 ASN : amide:sc= -0.153 K(o=-0.15,f=-1.5) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= -0.0414 (180deg=-0.221) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0138) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 139 N ASN A 11 5.751 41.713 -11.404 1.00 0.00 N ATOM 140 CA ASN A 11 6.635 40.925 -10.553 1.00 0.00 C ATOM 141 C ASN A 11 5.832 40.095 -9.556 1.00 0.00 C ATOM 142 O ASN A 11 6.244 39.001 -9.172 1.00 0.00 O ATOM 143 CB ASN A 11 7.608 41.840 -9.807 1.00 0.00 C ATOM 144 CG ASN A 11 8.800 42.232 -10.655 1.00 0.00 C ATOM 145 OD1 ASN A 11 8.649 42.660 -11.799 1.00 0.00 O ATOM 146 ND2 ASN A 11 9.998 42.087 -10.098 1.00 0.00 N ATOM 0 HA ASN A 11 7.202 40.246 -11.190 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.083 42.740 -9.486 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.957 41.336 -8.906 1.00 0.00 H new ATOM 0 HD21 ASN A 11 10.837 42.334 -10.622 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.078 41.728 -9.146 1.00 0.00 H new ATOM 153 N GLN A 12 4.686 40.624 -9.142 1.00 0.00 N ATOM 154 CA GLN A 12 3.825 39.932 -8.190 1.00 0.00 C ATOM 155 C GLN A 12 3.442 38.549 -8.706 1.00 0.00 C ATOM 156 O GLN A 12 3.478 37.566 -7.966 1.00 0.00 O ATOM 157 CB GLN A 12 2.564 40.754 -7.918 1.00 0.00 C ATOM 158 CG GLN A 12 2.780 41.890 -6.930 1.00 0.00 C ATOM 159 CD GLN A 12 2.586 41.457 -5.491 1.00 0.00 C ATOM 160 OE1 GLN A 12 1.870 40.495 -5.210 1.00 0.00 O ATOM 161 NE2 GLN A 12 3.226 42.165 -4.568 1.00 0.00 N ATOM 0 H GLN A 12 4.332 41.529 -9.451 1.00 0.00 H new ATOM 0 HA GLN A 12 4.380 39.812 -7.260 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.199 41.166 -8.859 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.785 40.094 -7.536 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.788 42.287 -7.053 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.088 42.701 -7.158 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.809 42.955 -4.845 1.00 0.00 H new ATOM 0 HE22 GLN A 12 3.134 41.919 -3.582 1.00 0.00 H new ATOM 170 N VAL A 13 3.076 38.479 -9.983 1.00 0.00 N ATOM 171 CA VAL A 13 2.688 37.217 -10.599 1.00 0.00 C ATOM 172 C VAL A 13 3.863 36.249 -10.657 1.00 0.00 C ATOM 173 O VAL A 13 3.726 35.070 -10.332 1.00 0.00 O ATOM 174 CB VAL A 13 2.143 37.432 -12.025 1.00 0.00 C ATOM 175 CG1 VAL A 13 1.746 36.104 -12.650 1.00 0.00 C ATOM 176 CG2 VAL A 13 0.967 38.396 -12.004 1.00 0.00 C ATOM 0 H VAL A 13 3.041 39.283 -10.610 1.00 0.00 H new ATOM 0 HA VAL A 13 1.901 36.791 -9.977 1.00 0.00 H new ATOM 0 HB VAL A 13 2.932 37.871 -12.636 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.364 36.275 -13.656 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.617 35.450 -12.699 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.973 35.633 -12.043 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.594 38.537 -13.018 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.173 37.988 -11.379 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.290 39.355 -11.600 1.00 0.00 H new ATOM 186 N ASN A 14 5.020 36.755 -11.072 1.00 0.00 N ATOM 187 CA ASN A 14 6.222 35.934 -11.172 1.00 0.00 C ATOM 188 C ASN A 14 6.543 35.275 -9.834 1.00 0.00 C ATOM 189 O ASN A 14 6.596 34.050 -9.731 1.00 0.00 O ATOM 190 CB ASN A 14 7.408 36.784 -11.634 1.00 0.00 C ATOM 191 CG ASN A 14 8.638 35.948 -11.929 1.00 0.00 C ATOM 192 OD1 ASN A 14 9.199 35.312 -11.038 1.00 0.00 O ATOM 193 ND2 ASN A 14 9.062 35.945 -13.187 1.00 0.00 N ATOM 0 H ASN A 14 5.151 37.729 -11.344 1.00 0.00 H new ATOM 0 HA ASN A 14 6.038 35.151 -11.907 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.127 37.340 -12.528 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.647 37.518 -10.865 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.884 35.400 -13.447 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.566 36.488 -13.894 1.00 0.00 H new ATOM 200 N ASP A 15 6.758 36.097 -8.813 1.00 0.00 N ATOM 201 CA ASP A 15 7.073 35.595 -7.480 1.00 0.00 C ATOM 202 C ASP A 15 5.974 34.665 -6.976 1.00 0.00 C ATOM 203 O ASP A 15 6.254 33.608 -6.412 1.00 0.00 O ATOM 204 CB ASP A 15 7.261 36.758 -6.505 1.00 0.00 C ATOM 205 CG ASP A 15 8.642 37.377 -6.602 1.00 0.00 C ATOM 206 OD1 ASP A 15 9.012 37.833 -7.704 1.00 0.00 O ATOM 207 OD2 ASP A 15 9.352 37.407 -5.575 1.00 0.00 O ATOM 0 H ASP A 15 6.720 37.114 -8.883 1.00 0.00 H new ATOM 0 HA ASP A 15 8.003 35.029 -7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.509 37.521 -6.705 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.095 36.406 -5.487 1.00 0.00 H new ATOM 212 N GLU A 16 4.724 35.068 -7.183 1.00 0.00 N ATOM 213 CA GLU A 16 3.584 34.271 -6.748 1.00 0.00 C ATOM 214 C GLU A 16 3.682 32.844 -7.281 1.00 0.00 C ATOM 215 O GLU A 16 3.505 31.877 -6.537 1.00 0.00 O ATOM 216 CB GLU A 16 2.276 34.912 -7.215 1.00 0.00 C ATOM 217 CG GLU A 16 1.689 35.895 -6.215 1.00 0.00 C ATOM 218 CD GLU A 16 0.811 35.219 -5.179 1.00 0.00 C ATOM 219 OE1 GLU A 16 1.182 34.121 -4.715 1.00 0.00 O ATOM 220 OE2 GLU A 16 -0.245 35.788 -4.835 1.00 0.00 O ATOM 0 H GLU A 16 4.476 35.941 -7.649 1.00 0.00 H new ATOM 0 HA GLU A 16 3.594 34.235 -5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.451 35.428 -8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.546 34.127 -7.411 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.499 36.422 -5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.104 36.644 -6.748 1.00 0.00 H new ATOM 227 N LEU A 17 3.963 32.720 -8.573 1.00 0.00 N ATOM 228 CA LEU A 17 4.085 31.412 -9.208 1.00 0.00 C ATOM 229 C LEU A 17 5.333 30.684 -8.722 1.00 0.00 C ATOM 230 O LEU A 17 5.345 29.459 -8.607 1.00 0.00 O ATOM 231 CB LEU A 17 4.129 31.563 -10.730 1.00 0.00 C ATOM 232 CG LEU A 17 2.969 30.934 -11.501 1.00 0.00 C ATOM 233 CD1 LEU A 17 2.097 32.010 -12.127 1.00 0.00 C ATOM 234 CD2 LEU A 17 3.492 29.981 -12.567 1.00 0.00 C ATOM 0 H LEU A 17 4.111 33.509 -9.202 1.00 0.00 H new ATOM 0 HA LEU A 17 3.212 30.820 -8.933 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.163 32.626 -10.969 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.059 31.125 -11.092 1.00 0.00 H new ATOM 0 HG LEU A 17 2.359 30.364 -10.800 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.277 31.542 -12.672 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.693 32.652 -11.344 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.695 32.608 -12.815 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.652 29.542 -13.106 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.125 30.528 -13.265 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.073 29.189 -12.094 1.00 0.00 H new ATOM 246 N ASN A 18 6.383 31.448 -8.434 1.00 0.00 N ATOM 247 CA ASN A 18 7.637 30.876 -7.958 1.00 0.00 C ATOM 248 C ASN A 18 7.420 30.087 -6.670 1.00 0.00 C ATOM 249 O ASN A 18 7.684 28.886 -6.611 1.00 0.00 O ATOM 250 CB ASN A 18 8.670 31.980 -7.726 1.00 0.00 C ATOM 251 CG ASN A 18 10.024 31.637 -8.318 1.00 0.00 C ATOM 252 OD1 ASN A 18 10.615 30.609 -7.990 1.00 0.00 O ATOM 253 ND2 ASN A 18 10.522 32.502 -9.195 1.00 0.00 N ATOM 0 H ASN A 18 6.390 32.464 -8.522 1.00 0.00 H new ATOM 0 HA ASN A 18 8.010 30.194 -8.722 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.309 32.910 -8.165 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.778 32.154 -6.655 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.430 32.326 -9.626 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.997 33.342 -9.437 1.00 0.00 H new ATOM 260 N LYS A 19 6.939 30.773 -5.637 1.00 0.00 N ATOM 261 CA LYS A 19 6.685 30.139 -4.349 1.00 0.00 C ATOM 262 C LYS A 19 5.560 29.115 -4.460 1.00 0.00 C ATOM 263 O LYS A 19 5.685 27.987 -3.982 1.00 0.00 O ATOM 264 CB LYS A 19 6.329 31.193 -3.300 1.00 0.00 C ATOM 265 CG LYS A 19 7.489 32.100 -2.930 1.00 0.00 C ATOM 266 CD LYS A 19 7.674 33.213 -3.949 1.00 0.00 C ATOM 267 CE LYS A 19 8.600 34.300 -3.424 1.00 0.00 C ATOM 268 NZ LYS A 19 9.869 33.736 -2.888 1.00 0.00 N ATOM 0 H LYS A 19 6.718 31.768 -5.668 1.00 0.00 H new ATOM 0 HA LYS A 19 7.594 29.622 -4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.507 31.803 -3.675 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.970 30.692 -2.401 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.314 32.533 -1.945 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.404 31.512 -2.862 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.082 32.800 -4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.705 33.647 -4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.825 35.004 -4.226 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.093 34.862 -2.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.545 34.507 -2.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.677 33.235 -1.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.273 33.071 -3.579 1.00 0.00 H new ATOM 282 N MET A 20 4.462 29.514 -5.093 1.00 0.00 N ATOM 283 CA MET A 20 3.316 28.629 -5.268 1.00 0.00 C ATOM 284 C MET A 20 3.740 27.309 -5.903 1.00 0.00 C ATOM 285 O MET A 20 3.454 26.236 -5.374 1.00 0.00 O ATOM 286 CB MET A 20 2.250 29.306 -6.133 1.00 0.00 C ATOM 287 CG MET A 20 0.960 28.509 -6.240 1.00 0.00 C ATOM 288 SD MET A 20 -0.507 29.556 -6.201 1.00 0.00 S ATOM 289 CE MET A 20 -1.642 28.586 -7.193 1.00 0.00 C ATOM 0 H MET A 20 4.341 30.444 -5.493 1.00 0.00 H new ATOM 0 HA MET A 20 2.896 28.419 -4.284 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.027 30.289 -5.718 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.653 29.466 -7.133 1.00 0.00 H new ATOM 0 HG2 MET A 20 0.968 27.935 -7.167 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.912 27.791 -5.421 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.599 29.104 -7.262 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.229 28.452 -8.193 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.790 27.611 -6.728 1.00 0.00 H new ATOM 299 N GLN A 21 4.423 27.397 -7.041 1.00 0.00 N ATOM 300 CA GLN A 21 4.885 26.208 -7.747 1.00 0.00 C ATOM 301 C GLN A 21 5.837 25.394 -6.878 1.00 0.00 C ATOM 302 O GLN A 21 5.725 24.171 -6.796 1.00 0.00 O ATOM 303 CB GLN A 21 5.578 26.602 -9.052 1.00 0.00 C ATOM 304 CG GLN A 21 4.622 27.102 -10.123 1.00 0.00 C ATOM 305 CD GLN A 21 4.047 25.977 -10.962 1.00 0.00 C ATOM 306 OE1 GLN A 21 2.848 25.704 -10.916 1.00 0.00 O ATOM 307 NE2 GLN A 21 4.903 25.319 -11.735 1.00 0.00 N ATOM 0 H GLN A 21 4.668 28.278 -7.493 1.00 0.00 H new ATOM 0 HA GLN A 21 4.016 25.592 -7.977 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.314 27.378 -8.843 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.124 25.741 -9.438 1.00 0.00 H new ATOM 0 HG2 GLN A 21 3.807 27.651 -9.650 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.145 27.804 -10.772 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.889 25.580 -11.741 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.574 24.553 -12.323 1.00 0.00 H new ATOM 316 N ALA A 22 6.773 26.080 -6.230 1.00 0.00 N ATOM 317 CA ALA A 22 7.743 25.420 -5.366 1.00 0.00 C ATOM 318 C ALA A 22 7.048 24.645 -4.252 1.00 0.00 C ATOM 319 O ALA A 22 7.383 23.490 -3.985 1.00 0.00 O ATOM 320 CB ALA A 22 8.707 26.440 -4.779 1.00 0.00 C ATOM 0 H ALA A 22 6.880 27.093 -6.287 1.00 0.00 H new ATOM 0 HA ALA A 22 8.307 24.709 -5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.426 25.933 -4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.236 26.947 -5.586 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.150 27.172 -4.194 1.00 0.00 H new ATOM 326 N PHE A 23 6.081 25.285 -3.606 1.00 0.00 N ATOM 327 CA PHE A 23 5.340 24.655 -2.520 1.00 0.00 C ATOM 328 C PHE A 23 4.607 23.411 -3.011 1.00 0.00 C ATOM 329 O PHE A 23 4.647 22.360 -2.371 1.00 0.00 O ATOM 330 CB PHE A 23 4.341 25.644 -1.915 1.00 0.00 C ATOM 331 CG PHE A 23 4.829 26.294 -0.652 1.00 0.00 C ATOM 332 CD1 PHE A 23 5.992 27.048 -0.650 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.126 26.152 0.532 1.00 0.00 C ATOM 334 CE1 PHE A 23 6.445 27.645 0.511 1.00 0.00 C ATOM 335 CE2 PHE A 23 4.573 26.747 1.697 1.00 0.00 C ATOM 336 CZ PHE A 23 5.733 27.497 1.686 1.00 0.00 C ATOM 0 H PHE A 23 5.791 26.240 -3.815 1.00 0.00 H new ATOM 0 HA PHE A 23 6.054 24.355 -1.753 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.118 26.418 -2.650 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.406 25.123 -1.708 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.551 27.170 -1.566 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.217 25.569 0.546 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.355 28.227 0.500 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.016 26.626 2.614 1.00 0.00 H new ATOM 0 HZ PHE A 23 6.083 27.967 2.594 1.00 0.00 H new ATOM 346 N ILE A 24 3.936 23.538 -4.152 1.00 0.00 N ATOM 347 CA ILE A 24 3.195 22.424 -4.730 1.00 0.00 C ATOM 348 C ILE A 24 4.136 21.313 -5.183 1.00 0.00 C ATOM 349 O ILE A 24 3.771 20.138 -5.184 1.00 0.00 O ATOM 350 CB ILE A 24 2.340 22.878 -5.927 1.00 0.00 C ATOM 351 CG1 ILE A 24 1.294 23.900 -5.477 1.00 0.00 C ATOM 352 CG2 ILE A 24 1.671 21.681 -6.584 1.00 0.00 C ATOM 353 CD1 ILE A 24 0.264 23.330 -4.527 1.00 0.00 C ATOM 0 H ILE A 24 3.891 24.401 -4.694 1.00 0.00 H new ATOM 0 HA ILE A 24 2.538 22.043 -3.948 1.00 0.00 H new ATOM 0 HB ILE A 24 2.992 23.353 -6.660 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.799 24.736 -4.994 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.786 24.299 -6.355 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.070 22.018 -7.429 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.433 20.986 -6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.029 21.180 -5.859 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.446 24.109 -4.249 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.267 22.512 -5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.762 22.957 -3.632 1.00 0.00 H new ATOM 365 N ARG A 25 5.351 21.694 -5.566 1.00 0.00 N ATOM 366 CA ARG A 25 6.346 20.730 -6.022 1.00 0.00 C ATOM 367 C ARG A 25 6.823 19.855 -4.866 1.00 0.00 C ATOM 368 O ARG A 25 6.870 18.629 -4.980 1.00 0.00 O ATOM 369 CB ARG A 25 7.537 21.454 -6.653 1.00 0.00 C ATOM 370 CG ARG A 25 8.737 20.555 -6.894 1.00 0.00 C ATOM 371 CD ARG A 25 9.297 20.738 -8.296 1.00 0.00 C ATOM 372 NE ARG A 25 10.578 20.058 -8.468 1.00 0.00 N ATOM 373 CZ ARG A 25 11.452 20.364 -9.421 1.00 0.00 C ATOM 374 NH1 ARG A 25 11.182 21.333 -10.284 1.00 0.00 N ATOM 375 NH2 ARG A 25 12.596 19.699 -9.512 1.00 0.00 N ATOM 0 H ARG A 25 5.670 22.663 -5.570 1.00 0.00 H new ATOM 0 HA ARG A 25 5.880 20.091 -6.772 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.225 21.891 -7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.835 22.278 -6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.512 20.776 -6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.448 19.514 -6.749 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.583 20.354 -9.024 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.421 21.801 -8.501 1.00 0.00 H new ATOM 0 HE ARG A 25 10.815 19.306 -7.821 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.302 21.845 -10.217 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.854 21.567 -11.015 1.00 0.00 H new ATOM 0 HH21 ARG A 25 12.806 18.952 -8.850 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.266 19.935 -10.244 1.00 0.00 H new ATOM 389 N LYS A 26 7.176 20.492 -3.755 1.00 0.00 N ATOM 390 CA LYS A 26 7.649 19.772 -2.579 1.00 0.00 C ATOM 391 C LYS A 26 6.532 18.930 -1.970 1.00 0.00 C ATOM 392 O LYS A 26 6.739 17.770 -1.618 1.00 0.00 O ATOM 393 CB LYS A 26 8.186 20.755 -1.536 1.00 0.00 C ATOM 394 CG LYS A 26 9.692 20.687 -1.355 1.00 0.00 C ATOM 395 CD LYS A 26 10.070 19.895 -0.114 1.00 0.00 C ATOM 396 CE LYS A 26 11.552 19.551 -0.102 1.00 0.00 C ATOM 397 NZ LYS A 26 11.835 18.350 0.731 1.00 0.00 N ATOM 0 H LYS A 26 7.143 21.505 -3.644 1.00 0.00 H new ATOM 0 HA LYS A 26 8.453 19.106 -2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.909 21.768 -1.827 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.704 20.555 -0.579 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.144 20.226 -2.233 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.096 21.697 -1.280 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.822 20.472 0.777 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.482 18.978 -0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.892 19.374 -1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.119 20.400 0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.855 18.148 0.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.534 18.528 1.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.314 17.534 0.352 1.00 0.00 H new ATOM 411 N GLU A 27 5.348 19.523 -1.850 1.00 0.00 N ATOM 412 CA GLU A 27 4.199 18.825 -1.286 1.00 0.00 C ATOM 413 C GLU A 27 3.810 17.629 -2.150 1.00 0.00 C ATOM 414 O GLU A 27 3.603 16.527 -1.644 1.00 0.00 O ATOM 415 CB GLU A 27 3.010 19.780 -1.152 1.00 0.00 C ATOM 416 CG GLU A 27 2.011 19.362 -0.086 1.00 0.00 C ATOM 417 CD GLU A 27 0.633 19.951 -0.316 1.00 0.00 C ATOM 418 OE1 GLU A 27 0.338 20.343 -1.464 1.00 0.00 O ATOM 419 OE2 GLU A 27 -0.152 20.017 0.654 1.00 0.00 O ATOM 0 H GLU A 27 5.160 20.484 -2.136 1.00 0.00 H new ATOM 0 HA GLU A 27 4.477 18.461 -0.297 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.381 20.778 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.498 19.846 -2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.939 18.275 -0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.377 19.674 0.892 1.00 0.00 H new ATOM 426 N ALA A 28 3.712 17.856 -3.455 1.00 0.00 N ATOM 427 CA ALA A 28 3.348 16.798 -4.390 1.00 0.00 C ATOM 428 C ALA A 28 4.401 15.694 -4.404 1.00 0.00 C ATOM 429 O ALA A 28 4.070 14.512 -4.489 1.00 0.00 O ATOM 430 CB ALA A 28 3.161 17.370 -5.787 1.00 0.00 C ATOM 0 H ALA A 28 3.880 18.763 -3.890 1.00 0.00 H new ATOM 0 HA ALA A 28 2.405 16.362 -4.060 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.890 16.569 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.369 18.118 -5.771 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.091 17.833 -6.118 1.00 0.00 H new ATOM 436 N GLU A 29 5.667 16.089 -4.322 1.00 0.00 N ATOM 437 CA GLU A 29 6.767 15.132 -4.327 1.00 0.00 C ATOM 438 C GLU A 29 6.772 14.302 -3.046 1.00 0.00 C ATOM 439 O GLU A 29 7.091 13.114 -3.066 1.00 0.00 O ATOM 440 CB GLU A 29 8.105 15.858 -4.483 1.00 0.00 C ATOM 441 CG GLU A 29 9.268 14.932 -4.793 1.00 0.00 C ATOM 442 CD GLU A 29 10.506 15.681 -5.246 1.00 0.00 C ATOM 443 OE1 GLU A 29 10.900 16.647 -4.560 1.00 0.00 O ATOM 444 OE2 GLU A 29 11.082 15.299 -6.286 1.00 0.00 O ATOM 0 H GLU A 29 5.956 17.064 -4.251 1.00 0.00 H new ATOM 0 HA GLU A 29 6.626 14.461 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.017 16.596 -5.280 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.321 16.404 -3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.507 14.346 -3.906 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.970 14.228 -5.570 1.00 0.00 H new ATOM 451 N GLU A 30 6.420 14.940 -1.934 1.00 0.00 N ATOM 452 CA GLU A 30 6.385 14.261 -0.644 1.00 0.00 C ATOM 453 C GLU A 30 5.261 13.231 -0.600 1.00 0.00 C ATOM 454 O GLU A 30 5.467 12.086 -0.197 1.00 0.00 O ATOM 455 CB GLU A 30 6.205 15.277 0.487 1.00 0.00 C ATOM 456 CG GLU A 30 6.253 14.658 1.874 1.00 0.00 C ATOM 457 CD GLU A 30 6.882 15.578 2.902 1.00 0.00 C ATOM 458 OE1 GLU A 30 8.128 15.622 2.973 1.00 0.00 O ATOM 459 OE2 GLU A 30 6.130 16.252 3.635 1.00 0.00 O ATOM 0 H GLU A 30 6.155 15.925 -1.901 1.00 0.00 H new ATOM 0 HA GLU A 30 7.334 13.742 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.984 16.036 0.410 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.250 15.786 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.241 14.404 2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.817 13.726 1.833 1.00 0.00 H new ATOM 466 N LYS A 31 4.069 13.646 -1.017 1.00 0.00 N ATOM 467 CA LYS A 31 2.911 12.761 -1.028 1.00 0.00 C ATOM 468 C LYS A 31 3.103 11.625 -2.028 1.00 0.00 C ATOM 469 O LYS A 31 2.736 10.481 -1.760 1.00 0.00 O ATOM 470 CB LYS A 31 1.645 13.549 -1.373 1.00 0.00 C ATOM 471 CG LYS A 31 1.689 14.203 -2.743 1.00 0.00 C ATOM 472 CD LYS A 31 0.445 15.037 -3.002 1.00 0.00 C ATOM 473 CE LYS A 31 0.442 16.308 -2.166 1.00 0.00 C ATOM 474 NZ LYS A 31 -0.839 16.481 -1.427 1.00 0.00 N ATOM 0 H LYS A 31 3.880 14.591 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 31 2.805 12.331 -0.032 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.787 12.879 -1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.489 14.319 -0.617 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.574 14.835 -2.817 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.780 13.435 -3.511 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.393 15.296 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.443 14.448 -2.774 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.269 16.279 -1.457 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.607 17.169 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.802 17.358 -0.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.626 16.534 -2.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.985 15.672 -0.790 1.00 0.00 H new ATOM 488 N ALA A 32 3.680 11.949 -3.181 1.00 0.00 N ATOM 489 CA ALA A 32 3.923 10.955 -4.219 1.00 0.00 C ATOM 490 C ALA A 32 4.944 9.920 -3.759 1.00 0.00 C ATOM 491 O ALA A 32 4.752 8.718 -3.944 1.00 0.00 O ATOM 492 CB ALA A 32 4.394 11.632 -5.497 1.00 0.00 C ATOM 0 H ALA A 32 3.988 12.892 -3.419 1.00 0.00 H new ATOM 0 HA ALA A 32 2.985 10.437 -4.419 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.572 10.878 -6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.630 12.328 -5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.318 12.176 -5.301 1.00 0.00 H new ATOM 498 N LYS A 33 6.031 10.394 -3.159 1.00 0.00 N ATOM 499 CA LYS A 33 7.083 9.510 -2.671 1.00 0.00 C ATOM 500 C LYS A 33 6.567 8.618 -1.547 1.00 0.00 C ATOM 501 O LYS A 33 6.880 7.428 -1.493 1.00 0.00 O ATOM 502 CB LYS A 33 8.278 10.329 -2.179 1.00 0.00 C ATOM 503 CG LYS A 33 9.295 10.634 -3.264 1.00 0.00 C ATOM 504 CD LYS A 33 10.696 10.217 -2.848 1.00 0.00 C ATOM 505 CE LYS A 33 11.654 10.226 -4.030 1.00 0.00 C ATOM 506 NZ LYS A 33 12.981 9.651 -3.673 1.00 0.00 N ATOM 0 H LYS A 33 6.206 11.386 -2.999 1.00 0.00 H new ATOM 0 HA LYS A 33 7.401 8.875 -3.498 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.916 11.267 -1.758 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.772 9.787 -1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.017 10.115 -4.181 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.283 11.701 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.063 10.892 -2.075 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.665 9.219 -2.411 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.221 9.657 -4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.785 11.249 -4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.605 9.675 -4.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.406 10.209 -2.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.860 8.667 -3.360 1.00 0.00 H new ATOM 520 N GLU A 34 5.774 9.198 -0.653 1.00 0.00 N ATOM 521 CA GLU A 34 5.213 8.455 0.469 1.00 0.00 C ATOM 522 C GLU A 34 4.275 7.356 -0.021 1.00 0.00 C ATOM 523 O GLU A 34 4.369 6.207 0.412 1.00 0.00 O ATOM 524 CB GLU A 34 4.464 9.397 1.412 1.00 0.00 C ATOM 525 CG GLU A 34 4.256 8.827 2.806 1.00 0.00 C ATOM 526 CD GLU A 34 2.891 9.160 3.375 1.00 0.00 C ATOM 527 OE1 GLU A 34 2.621 10.357 3.606 1.00 0.00 O ATOM 528 OE2 GLU A 34 2.092 8.224 3.588 1.00 0.00 O ATOM 0 H GLU A 34 5.505 10.181 -0.684 1.00 0.00 H new ATOM 0 HA GLU A 34 6.037 7.991 1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.017 10.333 1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.493 9.635 0.978 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.378 7.744 2.773 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.027 9.215 3.472 1.00 0.00 H new ATOM 535 N ILE A 35 3.371 7.717 -0.925 1.00 0.00 N ATOM 536 CA ILE A 35 2.416 6.763 -1.474 1.00 0.00 C ATOM 537 C ILE A 35 3.126 5.662 -2.254 1.00 0.00 C ATOM 538 O ILE A 35 2.733 4.497 -2.199 1.00 0.00 O ATOM 539 CB ILE A 35 1.395 7.455 -2.396 1.00 0.00 C ATOM 540 CG1 ILE A 35 0.610 8.515 -1.621 1.00 0.00 C ATOM 541 CG2 ILE A 35 0.453 6.429 -3.006 1.00 0.00 C ATOM 542 CD1 ILE A 35 0.067 9.623 -2.495 1.00 0.00 C ATOM 0 H ILE A 35 3.280 8.664 -1.293 1.00 0.00 H new ATOM 0 HA ILE A 35 1.888 6.323 -0.628 1.00 0.00 H new ATOM 0 HB ILE A 35 1.934 7.950 -3.204 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.219 8.034 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.256 8.949 -0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.263 6.933 -3.655 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.027 5.709 -3.589 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.082 5.908 -2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.478 10.338 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.892 10.130 -2.995 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.605 9.201 -3.242 1.00 0.00 H new ATOM 554 N GLN A 36 4.175 6.039 -2.978 1.00 0.00 N ATOM 555 CA GLN A 36 4.941 5.083 -3.768 1.00 0.00 C ATOM 556 C GLN A 36 5.748 4.154 -2.867 1.00 0.00 C ATOM 557 O GLN A 36 5.940 2.979 -3.181 1.00 0.00 O ATOM 558 CB GLN A 36 5.875 5.817 -4.731 1.00 0.00 C ATOM 559 CG GLN A 36 5.161 6.420 -5.930 1.00 0.00 C ATOM 560 CD GLN A 36 5.346 5.600 -7.192 1.00 0.00 C ATOM 561 OE1 GLN A 36 6.049 6.008 -8.115 1.00 0.00 O ATOM 562 NE2 GLN A 36 4.713 4.432 -7.237 1.00 0.00 N ATOM 0 H GLN A 36 4.514 7.000 -3.034 1.00 0.00 H new ATOM 0 HA GLN A 36 4.238 4.480 -4.343 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.391 6.610 -4.190 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.638 5.123 -5.084 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.097 6.505 -5.709 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.533 7.430 -6.100 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.140 4.132 -6.449 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.801 3.836 -8.060 1.00 0.00 H new ATOM 571 N LEU A 37 6.218 4.688 -1.745 1.00 0.00 N ATOM 572 CA LEU A 37 7.005 3.906 -0.797 1.00 0.00 C ATOM 573 C LEU A 37 6.134 2.877 -0.084 1.00 0.00 C ATOM 574 O LEU A 37 6.537 1.729 0.101 1.00 0.00 O ATOM 575 CB LEU A 37 7.667 4.829 0.228 1.00 0.00 C ATOM 576 CG LEU A 37 7.507 4.428 1.694 1.00 0.00 C ATOM 577 CD1 LEU A 37 8.293 3.160 1.991 1.00 0.00 C ATOM 578 CD2 LEU A 37 7.952 5.559 2.609 1.00 0.00 C ATOM 0 H LEU A 37 6.068 5.659 -1.469 1.00 0.00 H new ATOM 0 HA LEU A 37 7.778 3.376 -1.354 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.732 4.886 0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.260 5.832 0.100 1.00 0.00 H new ATOM 0 HG LEU A 37 6.452 4.229 1.882 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.166 2.891 3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.927 2.349 1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.350 3.330 1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.831 5.255 3.649 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.000 5.790 2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.344 6.443 2.416 1.00 0.00 H new ATOM 590 N LYS A 38 4.937 3.296 0.312 1.00 0.00 N ATOM 591 CA LYS A 38 4.006 2.410 1.002 1.00 0.00 C ATOM 592 C LYS A 38 3.435 1.369 0.045 1.00 0.00 C ATOM 593 O LYS A 38 3.268 0.205 0.407 1.00 0.00 O ATOM 594 CB LYS A 38 2.870 3.220 1.630 1.00 0.00 C ATOM 595 CG LYS A 38 2.054 4.008 0.619 1.00 0.00 C ATOM 596 CD LYS A 38 0.981 4.842 1.297 1.00 0.00 C ATOM 597 CE LYS A 38 -0.037 3.966 2.012 1.00 0.00 C ATOM 598 NZ LYS A 38 0.203 3.924 3.481 1.00 0.00 N ATOM 0 H LYS A 38 4.588 4.244 0.167 1.00 0.00 H new ATOM 0 HA LYS A 38 4.552 1.892 1.790 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.208 2.543 2.170 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.289 3.909 2.363 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.714 4.659 0.046 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.589 3.322 -0.089 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.445 5.521 2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.474 5.458 0.554 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.041 4.344 1.819 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.006 2.955 1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.250 3.078 3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.226 3.889 3.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.199 4.775 3.923 1.00 0.00 H new ATOM 612 N ALA A 39 3.139 1.797 -1.179 1.00 0.00 N ATOM 613 CA ALA A 39 2.590 0.901 -2.189 1.00 0.00 C ATOM 614 C ALA A 39 3.614 -0.148 -2.607 1.00 0.00 C ATOM 615 O ALA A 39 3.302 -1.337 -2.691 1.00 0.00 O ATOM 616 CB ALA A 39 2.119 1.694 -3.399 1.00 0.00 C ATOM 0 H ALA A 39 3.270 2.758 -1.494 1.00 0.00 H new ATOM 0 HA ALA A 39 1.735 0.383 -1.754 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.711 1.012 -4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.347 2.400 -3.093 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.960 2.239 -3.827 1.00 0.00 H new ATOM 622 N ASP A 40 4.838 0.298 -2.869 1.00 0.00 N ATOM 623 CA ASP A 40 5.909 -0.603 -3.278 1.00 0.00 C ATOM 624 C ASP A 40 6.299 -1.537 -2.138 1.00 0.00 C ATOM 625 O ASP A 40 6.502 -2.733 -2.344 1.00 0.00 O ATOM 626 CB ASP A 40 7.128 0.196 -3.740 1.00 0.00 C ATOM 627 CG ASP A 40 8.245 -0.694 -4.249 1.00 0.00 C ATOM 628 OD1 ASP A 40 7.954 -1.839 -4.651 1.00 0.00 O ATOM 629 OD2 ASP A 40 9.411 -0.244 -4.243 1.00 0.00 O ATOM 0 H ASP A 40 5.113 1.278 -2.805 1.00 0.00 H new ATOM 0 HA ASP A 40 5.544 -1.207 -4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.829 0.886 -4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.498 0.800 -2.912 1.00 0.00 H new ATOM 634 N GLN A 41 6.405 -0.982 -0.935 1.00 0.00 N ATOM 635 CA GLN A 41 6.774 -1.765 0.239 1.00 0.00 C ATOM 636 C GLN A 41 5.686 -2.779 0.579 1.00 0.00 C ATOM 637 O GLN A 41 5.976 -3.939 0.870 1.00 0.00 O ATOM 638 CB GLN A 41 7.023 -0.845 1.435 1.00 0.00 C ATOM 639 CG GLN A 41 8.366 -0.133 1.385 1.00 0.00 C ATOM 640 CD GLN A 41 9.538 -1.087 1.496 1.00 0.00 C ATOM 641 OE1 GLN A 41 9.477 -2.083 2.218 1.00 0.00 O ATOM 642 NE2 GLN A 41 10.614 -0.790 0.778 1.00 0.00 N ATOM 0 H GLN A 41 6.241 0.007 -0.747 1.00 0.00 H new ATOM 0 HA GLN A 41 7.692 -2.306 0.010 1.00 0.00 H new ATOM 0 HB2 GLN A 41 6.228 -0.101 1.482 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.966 -1.431 2.352 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.443 0.424 0.451 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.417 0.595 2.195 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.622 0.045 0.193 1.00 0.00 H new ATOM 0 HE22 GLN A 41 11.433 -1.397 0.811 1.00 0.00 H new ATOM 651 N GLU A 42 4.435 -2.331 0.544 1.00 0.00 N ATOM 652 CA GLU A 42 3.306 -3.201 0.851 1.00 0.00 C ATOM 653 C GLU A 42 3.140 -4.276 -0.218 1.00 0.00 C ATOM 654 O GLU A 42 2.761 -5.409 0.078 1.00 0.00 O ATOM 655 CB GLU A 42 2.019 -2.380 0.968 1.00 0.00 C ATOM 656 CG GLU A 42 0.859 -3.150 1.576 1.00 0.00 C ATOM 657 CD GLU A 42 -0.487 -2.677 1.063 1.00 0.00 C ATOM 658 OE1 GLU A 42 -0.768 -2.880 -0.137 1.00 0.00 O ATOM 659 OE2 GLU A 42 -1.260 -2.106 1.861 1.00 0.00 O ATOM 0 H GLU A 42 4.178 -1.373 0.307 1.00 0.00 H new ATOM 0 HA GLU A 42 3.506 -3.690 1.805 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.216 -1.496 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.731 -2.028 -0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.976 -4.211 1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.887 -3.046 2.661 1.00 0.00 H new ATOM 666 N TYR A 43 3.426 -3.912 -1.464 1.00 0.00 N ATOM 667 CA TYR A 43 3.305 -4.844 -2.579 1.00 0.00 C ATOM 668 C TYR A 43 4.405 -5.900 -2.527 1.00 0.00 C ATOM 669 O TYR A 43 4.171 -7.070 -2.830 1.00 0.00 O ATOM 670 CB TYR A 43 3.368 -4.091 -3.909 1.00 0.00 C ATOM 671 CG TYR A 43 2.020 -3.614 -4.398 1.00 0.00 C ATOM 672 CD1 TYR A 43 1.106 -3.036 -3.526 1.00 0.00 C ATOM 673 CD2 TYR A 43 1.661 -3.737 -5.736 1.00 0.00 C ATOM 674 CE1 TYR A 43 -0.128 -2.600 -3.968 1.00 0.00 C ATOM 675 CE2 TYR A 43 0.430 -3.302 -6.188 1.00 0.00 C ATOM 676 CZ TYR A 43 -0.460 -2.734 -5.301 1.00 0.00 C ATOM 677 OH TYR A 43 -1.688 -2.299 -5.746 1.00 0.00 O ATOM 0 H TYR A 43 3.743 -2.979 -1.727 1.00 0.00 H new ATOM 0 HA TYR A 43 2.340 -5.345 -2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.030 -3.232 -3.800 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.810 -4.741 -4.664 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.365 -2.925 -2.483 1.00 0.00 H new ATOM 0 HD2 TYR A 43 2.356 -4.180 -6.434 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.828 -2.157 -3.275 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.166 -3.406 -7.230 1.00 0.00 H new ATOM 0 HH TYR A 43 -1.765 -2.465 -6.709 1.00 0.00 H new ATOM 687 N GLU A 44 5.605 -5.478 -2.140 1.00 0.00 N ATOM 688 CA GLU A 44 6.741 -6.387 -2.049 1.00 0.00 C ATOM 689 C GLU A 44 6.550 -7.383 -0.908 1.00 0.00 C ATOM 690 O GLU A 44 6.732 -8.588 -1.086 1.00 0.00 O ATOM 691 CB GLU A 44 8.036 -5.600 -1.841 1.00 0.00 C ATOM 692 CG GLU A 44 9.020 -5.734 -2.992 1.00 0.00 C ATOM 693 CD GLU A 44 10.428 -6.046 -2.522 1.00 0.00 C ATOM 694 OE1 GLU A 44 11.189 -5.094 -2.254 1.00 0.00 O ATOM 695 OE2 GLU A 44 10.768 -7.243 -2.425 1.00 0.00 O ATOM 0 H GLU A 44 5.815 -4.513 -1.885 1.00 0.00 H new ATOM 0 HA GLU A 44 6.807 -6.941 -2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.793 -4.547 -1.702 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.515 -5.940 -0.923 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.682 -6.523 -3.664 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.030 -4.808 -3.567 1.00 0.00 H new ATOM 702 N ILE A 45 6.182 -6.871 0.262 1.00 0.00 N ATOM 703 CA ILE A 45 5.966 -7.715 1.430 1.00 0.00 C ATOM 704 C ILE A 45 4.741 -8.605 1.247 1.00 0.00 C ATOM 705 O ILE A 45 4.708 -9.738 1.725 1.00 0.00 O ATOM 706 CB ILE A 45 5.789 -6.873 2.707 1.00 0.00 C ATOM 707 CG1 ILE A 45 4.621 -5.898 2.543 1.00 0.00 C ATOM 708 CG2 ILE A 45 7.072 -6.122 3.030 1.00 0.00 C ATOM 709 CD1 ILE A 45 3.306 -6.436 3.063 1.00 0.00 C ATOM 0 H ILE A 45 6.027 -5.876 0.426 1.00 0.00 H new ATOM 0 HA ILE A 45 6.853 -8.340 1.536 1.00 0.00 H new ATOM 0 HB ILE A 45 5.565 -7.543 3.537 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.857 -4.971 3.065 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.511 -5.650 1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.930 -5.532 3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.882 -6.835 3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.325 -5.460 2.201 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.524 -5.692 2.914 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.047 -7.347 2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.398 -6.657 4.126 1.00 0.00 H new ATOM 721 N GLU A 46 3.736 -8.082 0.550 1.00 0.00 N ATOM 722 CA GLU A 46 2.509 -8.830 0.303 1.00 0.00 C ATOM 723 C GLU A 46 2.766 -10.002 -0.639 1.00 0.00 C ATOM 724 O GLU A 46 2.347 -11.130 -0.376 1.00 0.00 O ATOM 725 CB GLU A 46 1.436 -7.913 -0.287 1.00 0.00 C ATOM 726 CG GLU A 46 0.121 -8.620 -0.573 1.00 0.00 C ATOM 727 CD GLU A 46 -1.067 -7.678 -0.536 1.00 0.00 C ATOM 728 OE1 GLU A 46 -1.557 -7.385 0.574 1.00 0.00 O ATOM 729 OE2 GLU A 46 -1.505 -7.234 -1.618 1.00 0.00 O ATOM 0 H GLU A 46 3.748 -7.145 0.147 1.00 0.00 H new ATOM 0 HA GLU A 46 2.156 -9.223 1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.254 -7.090 0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.812 -7.476 -1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.173 -9.095 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.027 -9.414 0.158 1.00 0.00 H new ATOM 736 N LYS A 47 3.460 -9.728 -1.739 1.00 0.00 N ATOM 737 CA LYS A 47 3.775 -10.758 -2.721 1.00 0.00 C ATOM 738 C LYS A 47 4.708 -11.809 -2.128 1.00 0.00 C ATOM 739 O LYS A 47 4.484 -13.010 -2.278 1.00 0.00 O ATOM 740 CB LYS A 47 4.419 -10.130 -3.960 1.00 0.00 C ATOM 741 CG LYS A 47 4.627 -11.111 -5.100 1.00 0.00 C ATOM 742 CD LYS A 47 4.446 -10.442 -6.453 1.00 0.00 C ATOM 743 CE LYS A 47 5.188 -11.191 -7.549 1.00 0.00 C ATOM 744 NZ LYS A 47 4.465 -11.127 -8.850 1.00 0.00 N ATOM 0 H LYS A 47 3.815 -8.801 -1.972 1.00 0.00 H new ATOM 0 HA LYS A 47 2.844 -11.246 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.792 -9.309 -4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.381 -9.701 -3.681 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.628 -11.538 -5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.921 -11.936 -5.004 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.385 -10.395 -6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.808 -9.415 -6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.186 -10.768 -7.667 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.316 -12.233 -7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.002 -11.649 -9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.522 -11.553 -8.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.365 -10.134 -9.143 1.00 0.00 H new ATOM 758 N THR A 48 5.756 -11.348 -1.451 1.00 0.00 N ATOM 759 CA THR A 48 6.724 -12.248 -0.835 1.00 0.00 C ATOM 760 C THR A 48 6.075 -13.084 0.262 1.00 0.00 C ATOM 761 O THR A 48 6.382 -14.265 0.419 1.00 0.00 O ATOM 762 CB THR A 48 7.912 -11.471 -0.238 1.00 0.00 C ATOM 763 OG1 THR A 48 8.468 -10.595 -1.223 1.00 0.00 O ATOM 764 CG2 THR A 48 8.985 -12.427 0.263 1.00 0.00 C ATOM 0 H THR A 48 5.956 -10.357 -1.316 1.00 0.00 H new ATOM 0 HA THR A 48 7.090 -12.907 -1.622 1.00 0.00 H new ATOM 0 HB THR A 48 7.548 -10.884 0.605 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.927 -9.779 -1.278 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.815 -11.856 0.680 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.565 -13.074 1.034 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.345 -13.037 -0.566 1.00 0.00 H new ATOM 772 N ASN A 49 5.174 -12.465 1.018 1.00 0.00 N ATOM 773 CA ASN A 49 4.482 -13.153 2.102 1.00 0.00 C ATOM 774 C ASN A 49 3.585 -14.261 1.557 1.00 0.00 C ATOM 775 O ASN A 49 3.646 -15.402 2.012 1.00 0.00 O ATOM 776 CB ASN A 49 3.649 -12.160 2.915 1.00 0.00 C ATOM 777 CG ASN A 49 2.605 -12.848 3.773 1.00 0.00 C ATOM 778 OD1 ASN A 49 2.837 -13.939 4.297 1.00 0.00 O ATOM 779 ND2 ASN A 49 1.449 -12.212 3.922 1.00 0.00 N ATOM 0 H ASN A 49 4.906 -11.488 0.900 1.00 0.00 H new ATOM 0 HA ASN A 49 5.233 -13.604 2.751 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.309 -11.572 3.553 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.156 -11.463 2.237 1.00 0.00 H new ATOM 0 HD21 ASN A 49 0.709 -12.625 4.489 1.00 0.00 H new ATOM 0 HD22 ASN A 49 1.301 -11.310 3.469 1.00 0.00 H new ATOM 786 N ILE A 50 2.754 -13.913 0.579 1.00 0.00 N ATOM 787 CA ILE A 50 1.846 -14.878 -0.029 1.00 0.00 C ATOM 788 C ILE A 50 2.614 -16.034 -0.660 1.00 0.00 C ATOM 789 O ILE A 50 2.254 -17.200 -0.489 1.00 0.00 O ATOM 790 CB ILE A 50 0.960 -14.218 -1.102 1.00 0.00 C ATOM 791 CG1 ILE A 50 0.129 -13.091 -0.486 1.00 0.00 C ATOM 792 CG2 ILE A 50 0.057 -15.254 -1.754 1.00 0.00 C ATOM 793 CD1 ILE A 50 -0.295 -12.038 -1.485 1.00 0.00 C ATOM 0 H ILE A 50 2.691 -12.972 0.192 1.00 0.00 H new ATOM 0 HA ILE A 50 1.211 -15.261 0.770 1.00 0.00 H new ATOM 0 HB ILE A 50 1.604 -13.791 -1.871 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.760 -13.518 -0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.707 -12.616 0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.563 -14.772 -2.510 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.668 -16.025 -2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.582 -15.708 -0.997 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.880 -11.271 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.589 -11.584 -1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.900 -12.500 -2.265 1.00 0.00 H new ATOM 805 N VAL A 51 3.676 -15.705 -1.389 1.00 0.00 N ATOM 806 CA VAL A 51 4.497 -16.715 -2.043 1.00 0.00 C ATOM 807 C VAL A 51 5.262 -17.548 -1.020 1.00 0.00 C ATOM 808 O VAL A 51 5.459 -18.749 -1.205 1.00 0.00 O ATOM 809 CB VAL A 51 5.500 -16.076 -3.022 1.00 0.00 C ATOM 810 CG1 VAL A 51 6.373 -17.142 -3.665 1.00 0.00 C ATOM 811 CG2 VAL A 51 4.768 -15.265 -4.080 1.00 0.00 C ATOM 0 H VAL A 51 3.987 -14.746 -1.541 1.00 0.00 H new ATOM 0 HA VAL A 51 3.819 -17.362 -2.600 1.00 0.00 H new ATOM 0 HB VAL A 51 6.147 -15.401 -2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.075 -16.671 -4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.926 -17.675 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.745 -17.845 -4.212 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.492 -14.821 -4.763 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.096 -15.917 -4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.191 -14.475 -3.599 1.00 0.00 H new ATOM 821 N ARG A 52 5.692 -16.902 0.058 1.00 0.00 N ATOM 822 CA ARG A 52 6.437 -17.582 1.110 1.00 0.00 C ATOM 823 C ARG A 52 5.551 -18.588 1.839 1.00 0.00 C ATOM 824 O ARG A 52 5.939 -19.738 2.044 1.00 0.00 O ATOM 825 CB ARG A 52 6.999 -16.566 2.106 1.00 0.00 C ATOM 826 CG ARG A 52 7.840 -17.192 3.207 1.00 0.00 C ATOM 827 CD ARG A 52 8.774 -16.174 3.842 1.00 0.00 C ATOM 828 NE ARG A 52 9.011 -16.456 5.255 1.00 0.00 N ATOM 829 CZ ARG A 52 9.677 -15.640 6.066 1.00 0.00 C ATOM 830 NH1 ARG A 52 10.166 -14.497 5.605 1.00 0.00 N ATOM 831 NH2 ARG A 52 9.851 -15.966 7.340 1.00 0.00 N ATOM 0 H ARG A 52 5.537 -15.908 0.226 1.00 0.00 H new ATOM 0 HA ARG A 52 7.264 -18.120 0.646 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.606 -15.839 1.567 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.172 -16.019 2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.186 -17.613 3.971 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.423 -18.016 2.797 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.724 -16.172 3.308 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.348 -15.176 3.738 1.00 0.00 H new ATOM 0 HE ARG A 52 8.646 -17.327 5.641 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.031 -14.242 4.626 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.677 -13.872 6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.474 -16.843 7.698 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.362 -15.339 7.962 1.00 0.00 H new ATOM 845 N ASN A 53 4.360 -18.147 2.229 1.00 0.00 N ATOM 846 CA ASN A 53 3.419 -19.008 2.937 1.00 0.00 C ATOM 847 C ASN A 53 2.944 -20.147 2.039 1.00 0.00 C ATOM 848 O ASN A 53 2.886 -21.301 2.462 1.00 0.00 O ATOM 849 CB ASN A 53 2.219 -18.194 3.426 1.00 0.00 C ATOM 850 CG ASN A 53 1.086 -19.075 3.917 1.00 0.00 C ATOM 851 OD1 ASN A 53 1.311 -20.182 4.403 1.00 0.00 O ATOM 852 ND2 ASN A 53 -0.141 -18.583 3.789 1.00 0.00 N ATOM 0 H ASN A 53 4.023 -17.198 2.067 1.00 0.00 H new ATOM 0 HA ASN A 53 3.933 -19.437 3.797 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.536 -17.532 4.231 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.858 -17.560 2.616 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.944 -19.129 4.100 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.280 -17.659 3.380 1.00 0.00 H new ATOM 859 N GLU A 54 2.604 -19.812 0.798 1.00 0.00 N ATOM 860 CA GLU A 54 2.134 -20.808 -0.159 1.00 0.00 C ATOM 861 C GLU A 54 3.208 -21.858 -0.425 1.00 0.00 C ATOM 862 O GLU A 54 2.938 -23.059 -0.404 1.00 0.00 O ATOM 863 CB GLU A 54 1.728 -20.133 -1.471 1.00 0.00 C ATOM 864 CG GLU A 54 0.297 -19.621 -1.475 1.00 0.00 C ATOM 865 CD GLU A 54 -0.013 -18.766 -2.689 1.00 0.00 C ATOM 866 OE1 GLU A 54 0.822 -18.727 -3.616 1.00 0.00 O ATOM 867 OE2 GLU A 54 -1.091 -18.136 -2.710 1.00 0.00 O ATOM 0 H GLU A 54 2.645 -18.861 0.432 1.00 0.00 H new ATOM 0 HA GLU A 54 1.264 -21.306 0.270 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.404 -19.300 -1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.853 -20.843 -2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.388 -20.468 -1.447 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.121 -19.039 -0.571 1.00 0.00 H new ATOM 874 N THR A 55 4.430 -21.396 -0.675 1.00 0.00 N ATOM 875 CA THR A 55 5.545 -22.293 -0.947 1.00 0.00 C ATOM 876 C THR A 55 5.831 -23.194 0.249 1.00 0.00 C ATOM 877 O THR A 55 6.042 -24.396 0.096 1.00 0.00 O ATOM 878 CB THR A 55 6.823 -21.509 -1.302 1.00 0.00 C ATOM 879 OG1 THR A 55 6.600 -20.713 -2.470 1.00 0.00 O ATOM 880 CG2 THR A 55 7.990 -22.456 -1.542 1.00 0.00 C ATOM 0 H THR A 55 4.672 -20.405 -0.694 1.00 0.00 H new ATOM 0 HA THR A 55 5.255 -22.907 -1.800 1.00 0.00 H new ATOM 0 HB THR A 55 7.070 -20.860 -0.462 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.287 -19.823 -2.205 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.881 -21.880 -1.791 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.176 -23.040 -0.641 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.750 -23.127 -2.366 1.00 0.00 H new ATOM 888 N ASN A 56 5.834 -22.604 1.440 1.00 0.00 N ATOM 889 CA ASN A 56 6.094 -23.355 2.663 1.00 0.00 C ATOM 890 C ASN A 56 4.972 -24.350 2.940 1.00 0.00 C ATOM 891 O ASN A 56 5.217 -25.465 3.398 1.00 0.00 O ATOM 892 CB ASN A 56 6.246 -22.400 3.849 1.00 0.00 C ATOM 893 CG ASN A 56 7.699 -22.126 4.188 1.00 0.00 C ATOM 894 OD1 ASN A 56 8.573 -22.958 3.943 1.00 0.00 O ATOM 895 ND2 ASN A 56 7.963 -20.954 4.755 1.00 0.00 N ATOM 0 H ASN A 56 5.660 -21.609 1.584 1.00 0.00 H new ATOM 0 HA ASN A 56 7.023 -23.910 2.528 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.745 -21.459 3.621 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.746 -22.824 4.720 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.922 -20.713 5.006 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.207 -20.295 4.940 1.00 0.00 H new ATOM 902 N ASN A 57 3.740 -23.939 2.655 1.00 0.00 N ATOM 903 CA ASN A 57 2.579 -24.796 2.872 1.00 0.00 C ATOM 904 C ASN A 57 2.620 -26.010 1.950 1.00 0.00 C ATOM 905 O ASN A 57 2.624 -27.152 2.410 1.00 0.00 O ATOM 906 CB ASN A 57 1.289 -24.008 2.641 1.00 0.00 C ATOM 907 CG ASN A 57 0.066 -24.904 2.591 1.00 0.00 C ATOM 908 OD1 ASN A 57 -0.210 -25.541 1.575 1.00 0.00 O ATOM 909 ND2 ASN A 57 -0.674 -24.957 3.693 1.00 0.00 N ATOM 0 H ASN A 57 3.520 -23.019 2.274 1.00 0.00 H new ATOM 0 HA ASN A 57 2.603 -25.146 3.904 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.167 -23.275 3.438 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.368 -23.453 1.706 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.508 -25.543 3.719 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.408 -24.412 4.513 1.00 0.00 H new ATOM 916 N ILE A 58 2.650 -25.756 0.646 1.00 0.00 N ATOM 917 CA ILE A 58 2.691 -26.828 -0.341 1.00 0.00 C ATOM 918 C ILE A 58 3.899 -27.733 -0.119 1.00 0.00 C ATOM 919 O ILE A 58 3.788 -28.957 -0.177 1.00 0.00 O ATOM 920 CB ILE A 58 2.737 -26.271 -1.776 1.00 0.00 C ATOM 921 CG1 ILE A 58 1.520 -25.384 -2.041 1.00 0.00 C ATOM 922 CG2 ILE A 58 2.801 -27.409 -2.784 1.00 0.00 C ATOM 923 CD1 ILE A 58 0.206 -26.130 -1.990 1.00 0.00 C ATOM 0 H ILE A 58 2.647 -24.817 0.248 1.00 0.00 H new ATOM 0 HA ILE A 58 1.777 -27.408 -0.215 1.00 0.00 H new ATOM 0 HB ILE A 58 3.636 -25.664 -1.886 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.500 -24.579 -1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.626 -24.918 -3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.833 -26.999 -3.794 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.697 -28.004 -2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 58 1.919 -28.040 -2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.613 -25.438 -2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.205 -26.917 -2.744 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.077 -26.573 -1.002 1.00 0.00 H new ATOM 935 N ASP A 59 5.050 -27.121 0.137 1.00 0.00 N ATOM 936 CA ASP A 59 6.279 -27.871 0.370 1.00 0.00 C ATOM 937 C ASP A 59 6.150 -28.751 1.610 1.00 0.00 C ATOM 938 O ASP A 59 6.602 -29.895 1.620 1.00 0.00 O ATOM 939 CB ASP A 59 7.463 -26.915 0.528 1.00 0.00 C ATOM 940 CG ASP A 59 8.701 -27.611 1.055 1.00 0.00 C ATOM 941 OD1 ASP A 59 8.991 -28.737 0.597 1.00 0.00 O ATOM 942 OD2 ASP A 59 9.383 -27.030 1.926 1.00 0.00 O ATOM 0 H ASP A 59 5.158 -26.108 0.188 1.00 0.00 H new ATOM 0 HA ASP A 59 6.454 -28.513 -0.493 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.689 -26.458 -0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.187 -26.108 1.206 1.00 0.00 H new ATOM 947 N GLY A 60 5.532 -28.208 2.655 1.00 0.00 N ATOM 948 CA GLY A 60 5.357 -28.957 3.885 1.00 0.00 C ATOM 949 C GLY A 60 4.392 -30.115 3.726 1.00 0.00 C ATOM 950 O GLY A 60 4.582 -31.175 4.321 1.00 0.00 O ATOM 0 H GLY A 60 5.150 -27.263 2.671 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.324 -29.336 4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.992 -28.289 4.665 1.00 0.00 H new ATOM 954 N ASN A 61 3.353 -29.911 2.924 1.00 0.00 N ATOM 955 CA ASN A 61 2.352 -30.946 2.691 1.00 0.00 C ATOM 956 C ASN A 61 2.926 -32.075 1.839 1.00 0.00 C ATOM 957 O ASN A 61 2.744 -33.253 2.147 1.00 0.00 O ATOM 958 CB ASN A 61 1.121 -30.350 2.005 1.00 0.00 C ATOM 959 CG ASN A 61 -0.058 -31.304 2.004 1.00 0.00 C ATOM 960 OD1 ASN A 61 -0.660 -31.564 3.045 1.00 0.00 O ATOM 961 ND2 ASN A 61 -0.392 -31.829 0.831 1.00 0.00 N ATOM 0 H ASN A 61 3.182 -29.039 2.424 1.00 0.00 H new ATOM 0 HA ASN A 61 2.058 -31.356 3.657 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.838 -29.427 2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.373 -30.086 0.978 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.177 -32.477 0.767 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.136 -31.584 -0.006 1.00 0.00 H new ATOM 968 N PHE A 62 3.620 -31.706 0.768 1.00 0.00 N ATOM 969 CA PHE A 62 4.220 -32.687 -0.129 1.00 0.00 C ATOM 970 C PHE A 62 5.313 -33.478 0.584 1.00 0.00 C ATOM 971 O PHE A 62 5.394 -34.700 0.457 1.00 0.00 O ATOM 972 CB PHE A 62 4.800 -31.993 -1.364 1.00 0.00 C ATOM 973 CG PHE A 62 3.776 -31.700 -2.423 1.00 0.00 C ATOM 974 CD1 PHE A 62 2.636 -30.973 -2.120 1.00 0.00 C ATOM 975 CD2 PHE A 62 3.953 -32.150 -3.721 1.00 0.00 C ATOM 976 CE1 PHE A 62 1.692 -30.703 -3.092 1.00 0.00 C ATOM 977 CE2 PHE A 62 3.013 -31.881 -4.698 1.00 0.00 C ATOM 978 CZ PHE A 62 1.881 -31.156 -4.383 1.00 0.00 C ATOM 0 H PHE A 62 3.781 -30.735 0.500 1.00 0.00 H new ATOM 0 HA PHE A 62 3.440 -33.380 -0.443 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.272 -31.059 -1.058 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.582 -32.621 -1.790 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.484 -30.613 -1.113 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.836 -32.718 -3.973 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.806 -30.138 -2.842 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.164 -32.237 -5.706 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.145 -30.944 -5.144 1.00 0.00 H new ATOM 988 N LYS A 63 6.153 -32.773 1.333 1.00 0.00 N ATOM 989 CA LYS A 63 7.241 -33.407 2.067 1.00 0.00 C ATOM 990 C LYS A 63 6.700 -34.321 3.161 1.00 0.00 C ATOM 991 O LYS A 63 7.139 -35.462 3.304 1.00 0.00 O ATOM 992 CB LYS A 63 8.156 -32.345 2.682 1.00 0.00 C ATOM 993 CG LYS A 63 9.451 -32.908 3.243 1.00 0.00 C ATOM 994 CD LYS A 63 9.884 -32.167 4.496 1.00 0.00 C ATOM 995 CE LYS A 63 9.586 -32.974 5.752 1.00 0.00 C ATOM 996 NZ LYS A 63 10.442 -34.189 5.846 1.00 0.00 N ATOM 0 H LYS A 63 6.101 -31.761 1.448 1.00 0.00 H new ATOM 0 HA LYS A 63 7.815 -34.011 1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.393 -31.598 1.924 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.618 -31.831 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.320 -33.966 3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.235 -32.839 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.952 -31.954 4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.370 -31.207 4.548 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.744 -32.349 6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.536 -33.268 5.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.494 -34.502 6.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.033 -34.948 5.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.398 -33.967 5.503 1.00 0.00 H new ATOM 1010 N SER A 64 5.741 -33.814 3.930 1.00 0.00 N ATOM 1011 CA SER A 64 5.142 -34.584 5.013 1.00 0.00 C ATOM 1012 C SER A 64 4.380 -35.787 4.465 1.00 0.00 C ATOM 1013 O SER A 64 4.556 -36.914 4.931 1.00 0.00 O ATOM 1014 CB SER A 64 4.201 -33.702 5.835 1.00 0.00 C ATOM 1015 OG SER A 64 3.327 -34.486 6.628 1.00 0.00 O ATOM 0 H SER A 64 5.363 -32.873 3.822 1.00 0.00 H new ATOM 0 HA SER A 64 5.944 -34.945 5.657 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.785 -33.042 6.476 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.619 -33.066 5.168 1.00 0.00 H new ATOM 0 HG SER A 64 2.737 -33.898 7.144 1.00 0.00 H new ATOM 1021 N LYS A 65 3.530 -35.541 3.473 1.00 0.00 N ATOM 1022 CA LYS A 65 2.742 -36.602 2.860 1.00 0.00 C ATOM 1023 C LYS A 65 3.644 -37.681 2.272 1.00 0.00 C ATOM 1024 O LYS A 65 3.408 -38.875 2.462 1.00 0.00 O ATOM 1025 CB LYS A 65 1.837 -36.026 1.766 1.00 0.00 C ATOM 1026 CG LYS A 65 1.004 -37.076 1.051 1.00 0.00 C ATOM 1027 CD LYS A 65 -0.113 -36.443 0.240 1.00 0.00 C ATOM 1028 CE LYS A 65 -0.935 -37.492 -0.491 1.00 0.00 C ATOM 1029 NZ LYS A 65 -0.187 -38.086 -1.634 1.00 0.00 N ATOM 0 H LYS A 65 3.370 -34.615 3.077 1.00 0.00 H new ATOM 0 HA LYS A 65 2.123 -37.054 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.171 -35.286 2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.453 -35.503 1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.644 -37.664 0.393 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.579 -37.765 1.782 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.761 -35.866 0.900 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.311 -35.744 -0.481 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.220 -38.281 0.206 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.858 -37.041 -0.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.810 -38.734 -2.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.136 -37.328 -2.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.636 -38.611 -1.275 1.00 0.00 H new ATOM 1043 N LEU A 66 4.681 -37.255 1.557 1.00 0.00 N ATOM 1044 CA LEU A 66 5.620 -38.186 0.943 1.00 0.00 C ATOM 1045 C LEU A 66 6.348 -39.005 2.004 1.00 0.00 C ATOM 1046 O LEU A 66 6.528 -40.214 1.854 1.00 0.00 O ATOM 1047 CB LEU A 66 6.634 -37.426 0.086 1.00 0.00 C ATOM 1048 CG LEU A 66 7.762 -38.262 -0.519 1.00 0.00 C ATOM 1049 CD1 LEU A 66 7.947 -37.924 -1.990 1.00 0.00 C ATOM 1050 CD2 LEU A 66 9.059 -38.043 0.246 1.00 0.00 C ATOM 0 H LEU A 66 4.892 -36.271 1.389 1.00 0.00 H new ATOM 0 HA LEU A 66 5.054 -38.868 0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.098 -36.935 -0.726 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.079 -36.640 0.696 1.00 0.00 H new ATOM 0 HG LEU A 66 7.490 -39.314 -0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.754 -38.529 -2.404 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.024 -38.133 -2.530 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.196 -36.868 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.850 -38.646 -0.199 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.336 -36.990 0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.921 -38.336 1.287 1.00 0.00 H new ATOM 1062 N LYS A 67 6.761 -38.341 3.077 1.00 0.00 N ATOM 1063 CA LYS A 67 7.466 -39.007 4.166 1.00 0.00 C ATOM 1064 C LYS A 67 6.564 -40.027 4.853 1.00 0.00 C ATOM 1065 O LYS A 67 7.008 -41.116 5.219 1.00 0.00 O ATOM 1066 CB LYS A 67 7.959 -37.978 5.186 1.00 0.00 C ATOM 1067 CG LYS A 67 9.085 -38.489 6.070 1.00 0.00 C ATOM 1068 CD LYS A 67 8.549 -39.155 7.327 1.00 0.00 C ATOM 1069 CE LYS A 67 9.536 -40.167 7.885 1.00 0.00 C ATOM 1070 NZ LYS A 67 8.995 -40.866 9.084 1.00 0.00 N ATOM 0 H LYS A 67 6.620 -37.341 3.217 1.00 0.00 H new ATOM 0 HA LYS A 67 8.324 -39.531 3.744 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.299 -37.088 4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.123 -37.674 5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.693 -39.200 5.511 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.737 -37.660 6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 67 8.339 -38.396 8.081 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.605 -39.651 7.103 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.778 -40.900 7.116 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.465 -39.661 8.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.698 -41.548 9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.787 -40.169 9.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.122 -41.370 8.828 1.00 0.00 H new ATOM 1084 N LYS A 68 5.296 -39.669 5.025 1.00 0.00 N ATOM 1085 CA LYS A 68 4.331 -40.555 5.665 1.00 0.00 C ATOM 1086 C LYS A 68 4.065 -41.785 4.803 1.00 0.00 C ATOM 1087 O LYS A 68 3.988 -42.904 5.309 1.00 0.00 O ATOM 1088 CB LYS A 68 3.020 -39.809 5.927 1.00 0.00 C ATOM 1089 CG LYS A 68 2.028 -40.598 6.766 1.00 0.00 C ATOM 1090 CD LYS A 68 0.654 -40.633 6.119 1.00 0.00 C ATOM 1091 CE LYS A 68 0.609 -41.618 4.960 1.00 0.00 C ATOM 1092 NZ LYS A 68 -0.501 -42.600 5.110 1.00 0.00 N ATOM 0 H LYS A 68 4.913 -38.771 4.730 1.00 0.00 H new ATOM 0 HA LYS A 68 4.752 -40.884 6.615 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.242 -38.868 6.431 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.557 -39.558 4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.393 -41.616 6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.953 -40.152 7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.093 -40.910 6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.393 -39.637 5.762 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.487 -41.073 4.024 1.00 0.00 H new ATOM 0 HE3 LYS A 68 1.559 -42.150 4.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.498 -43.253 4.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.372 -43.138 5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.409 -42.095 5.144 1.00 0.00 H new ATOM 1106 N ALA A 69 3.927 -41.570 3.499 1.00 0.00 N ATOM 1107 CA ALA A 69 3.674 -42.661 2.567 1.00 0.00 C ATOM 1108 C ALA A 69 4.759 -43.729 2.663 1.00 0.00 C ATOM 1109 O ALA A 69 4.481 -44.923 2.545 1.00 0.00 O ATOM 1110 CB ALA A 69 3.579 -42.129 1.145 1.00 0.00 C ATOM 0 H ALA A 69 3.986 -40.649 3.064 1.00 0.00 H new ATOM 0 HA ALA A 69 2.723 -43.122 2.835 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.390 -42.955 0.459 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.763 -41.409 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.516 -41.641 0.876 1.00 0.00 H new