USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=6 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) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 18 ASN : amide:sc= -0.319 X(o=-0.32,f=-0.045) USER MOD Single : A 19 LYS NZ :NH3+ -165:sc= 0.519 (180deg=0.296) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0875 K(o=-0.088,f=-1.4!) 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 K(o=0,f=-3.2!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) 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 79:sc= 1.22 USER MOD Single : A 49 ASN : amide:sc= -0.51 K(o=-0.51,f=-2.5!) USER MOD Single : A 53 ASN : amide:sc= -0.0806 K(o=-0.081,f=-0.7) USER MOD Single : A 55 THR OG1 : rot 92:sc= 1.25 USER MOD Single : A 56 ASN : amide:sc=-0.00982 X(o=-0.0098,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.151 X(o=-0.15,f=-0.0032) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -164:sc= -0.019 (180deg=-0.201) USER MOD ----------------------------------------------------------------- ATOM 139 N ASN A 11 5.668 41.487 -11.608 1.00 0.00 N ATOM 140 CA ASN A 11 6.504 40.755 -10.663 1.00 0.00 C ATOM 141 C ASN A 11 5.650 39.934 -9.702 1.00 0.00 C ATOM 142 O ASN A 11 6.077 38.887 -9.216 1.00 0.00 O ATOM 143 CB ASN A 11 7.389 41.724 -9.876 1.00 0.00 C ATOM 144 CG ASN A 11 8.586 42.197 -10.679 1.00 0.00 C ATOM 145 OD1 ASN A 11 9.555 41.461 -10.861 1.00 0.00 O ATOM 146 ND2 ASN A 11 8.523 43.433 -11.162 1.00 0.00 N ATOM 0 HA ASN A 11 7.138 40.073 -11.230 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.796 42.586 -9.570 1.00 0.00 H new ATOM 0 HB3 ASN A 11 7.736 41.237 -8.965 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.299 43.807 -11.709 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.699 44.008 -10.986 1.00 0.00 H new ATOM 153 N GLN A 12 4.441 40.417 -9.434 1.00 0.00 N ATOM 154 CA GLN A 12 3.527 39.728 -8.530 1.00 0.00 C ATOM 155 C GLN A 12 3.193 38.334 -9.053 1.00 0.00 C ATOM 156 O GLN A 12 3.175 37.365 -8.295 1.00 0.00 O ATOM 157 CB GLN A 12 2.243 40.541 -8.354 1.00 0.00 C ATOM 158 CG GLN A 12 1.795 40.663 -6.905 1.00 0.00 C ATOM 159 CD GLN A 12 0.413 41.272 -6.772 1.00 0.00 C ATOM 160 OE1 GLN A 12 -0.592 40.562 -6.770 1.00 0.00 O ATOM 161 NE2 GLN A 12 0.357 42.594 -6.657 1.00 0.00 N ATOM 0 H GLN A 12 4.072 41.282 -9.829 1.00 0.00 H new ATOM 0 HA GLN A 12 4.019 39.625 -7.563 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.396 41.539 -8.764 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.446 40.076 -8.934 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.799 39.676 -6.443 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.512 41.274 -6.357 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.216 43.143 -6.664 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -0.545 43.060 -6.562 1.00 0.00 H new ATOM 170 N VAL A 13 2.929 38.243 -10.352 1.00 0.00 N ATOM 171 CA VAL A 13 2.596 36.968 -10.977 1.00 0.00 C ATOM 172 C VAL A 13 3.784 36.014 -10.944 1.00 0.00 C ATOM 173 O VAL A 13 3.636 34.831 -10.640 1.00 0.00 O ATOM 174 CB VAL A 13 2.143 37.158 -12.436 1.00 0.00 C ATOM 175 CG1 VAL A 13 1.826 35.816 -13.077 1.00 0.00 C ATOM 176 CG2 VAL A 13 0.942 38.089 -12.504 1.00 0.00 C ATOM 0 H VAL A 13 2.939 39.037 -10.993 1.00 0.00 H new ATOM 0 HA VAL A 13 1.774 36.540 -10.404 1.00 0.00 H new ATOM 0 HB VAL A 13 2.960 37.615 -12.995 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.508 35.971 -14.108 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.716 35.187 -13.063 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.027 35.327 -12.520 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.635 38.212 -13.543 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.119 37.663 -11.930 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.210 39.060 -12.088 1.00 0.00 H new ATOM 186 N ASN A 14 4.965 36.537 -11.260 1.00 0.00 N ATOM 187 CA ASN A 14 6.180 35.732 -11.267 1.00 0.00 C ATOM 188 C ASN A 14 6.443 35.130 -9.890 1.00 0.00 C ATOM 189 O ASN A 14 6.528 33.911 -9.740 1.00 0.00 O ATOM 190 CB ASN A 14 7.377 36.580 -11.703 1.00 0.00 C ATOM 191 CG ASN A 14 7.677 36.440 -13.182 1.00 0.00 C ATOM 192 OD1 ASN A 14 8.018 35.358 -13.658 1.00 0.00 O ATOM 193 ND2 ASN A 14 7.551 37.539 -13.918 1.00 0.00 N ATOM 0 H ASN A 14 5.105 37.515 -11.514 1.00 0.00 H new ATOM 0 HA ASN A 14 6.042 34.918 -11.979 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.180 37.627 -11.473 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.255 36.287 -11.128 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.740 37.506 -14.920 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.266 38.415 -13.481 1.00 0.00 H new ATOM 200 N ASP A 15 6.570 35.994 -8.888 1.00 0.00 N ATOM 201 CA ASP A 15 6.821 35.549 -7.522 1.00 0.00 C ATOM 202 C ASP A 15 5.716 34.612 -7.044 1.00 0.00 C ATOM 203 O ASP A 15 5.986 33.584 -6.424 1.00 0.00 O ATOM 204 CB ASP A 15 6.930 36.751 -6.584 1.00 0.00 C ATOM 205 CG ASP A 15 8.319 36.902 -5.994 1.00 0.00 C ATOM 206 OD1 ASP A 15 9.293 36.495 -6.661 1.00 0.00 O ATOM 207 OD2 ASP A 15 8.431 37.424 -4.865 1.00 0.00 O ATOM 0 H ASP A 15 6.503 37.006 -8.996 1.00 0.00 H new ATOM 0 HA ASP A 15 7.764 35.003 -7.511 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.670 37.658 -7.129 1.00 0.00 H new ATOM 0 HB3 ASP A 15 6.205 36.645 -5.777 1.00 0.00 H new ATOM 212 N GLU A 16 4.471 34.976 -7.336 1.00 0.00 N ATOM 213 CA GLU A 16 3.326 34.169 -6.933 1.00 0.00 C ATOM 214 C GLU A 16 3.451 32.744 -7.463 1.00 0.00 C ATOM 215 O GLU A 16 3.265 31.776 -6.724 1.00 0.00 O ATOM 216 CB GLU A 16 2.026 34.800 -7.438 1.00 0.00 C ATOM 217 CG GLU A 16 0.782 34.013 -7.062 1.00 0.00 C ATOM 218 CD GLU A 16 -0.165 33.826 -8.232 1.00 0.00 C ATOM 219 OE1 GLU A 16 0.320 33.583 -9.357 1.00 0.00 O ATOM 220 OE2 GLU A 16 -1.392 33.923 -8.022 1.00 0.00 O ATOM 0 H GLU A 16 4.230 35.824 -7.850 1.00 0.00 H new ATOM 0 HA GLU A 16 3.305 34.133 -5.844 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.942 35.810 -7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.074 34.891 -8.523 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.077 33.036 -6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.260 34.528 -6.256 1.00 0.00 H new ATOM 227 N LEU A 17 3.768 32.623 -8.748 1.00 0.00 N ATOM 228 CA LEU A 17 3.919 31.316 -9.378 1.00 0.00 C ATOM 229 C LEU A 17 5.132 30.578 -8.820 1.00 0.00 C ATOM 230 O LEU A 17 5.126 29.353 -8.705 1.00 0.00 O ATOM 231 CB LEU A 17 4.056 31.472 -10.894 1.00 0.00 C ATOM 232 CG LEU A 17 2.885 30.955 -11.731 1.00 0.00 C ATOM 233 CD1 LEU A 17 1.857 32.056 -11.946 1.00 0.00 C ATOM 234 CD2 LEU A 17 3.380 30.417 -13.065 1.00 0.00 C ATOM 0 H LEU A 17 3.925 33.413 -9.373 1.00 0.00 H new ATOM 0 HA LEU A 17 3.027 30.729 -9.158 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.198 32.529 -11.119 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.961 30.954 -11.212 1.00 0.00 H new ATOM 0 HG LEU A 17 2.407 30.140 -11.189 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.031 31.671 -12.543 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.480 32.395 -10.981 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.323 32.892 -12.468 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.533 30.053 -13.647 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.883 31.213 -13.614 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.079 29.599 -12.891 1.00 0.00 H new ATOM 246 N ASN A 18 6.169 31.332 -8.472 1.00 0.00 N ATOM 247 CA ASN A 18 7.388 30.750 -7.924 1.00 0.00 C ATOM 248 C ASN A 18 7.100 30.011 -6.621 1.00 0.00 C ATOM 249 O ASN A 18 7.343 28.809 -6.509 1.00 0.00 O ATOM 250 CB ASN A 18 8.435 31.840 -7.684 1.00 0.00 C ATOM 251 CG ASN A 18 9.308 32.081 -8.900 1.00 0.00 C ATOM 252 OD1 ASN A 18 10.004 31.179 -9.367 1.00 0.00 O ATOM 253 ND2 ASN A 18 9.274 33.303 -9.420 1.00 0.00 N ATOM 0 H ASN A 18 6.189 32.348 -8.560 1.00 0.00 H new ATOM 0 HA ASN A 18 7.777 30.035 -8.649 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.933 32.768 -7.411 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.063 31.557 -6.839 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.840 33.524 -10.239 1.00 0.00 H new ATOM 0 HD22 ASN A 18 8.682 34.020 -9.000 1.00 0.00 H new ATOM 260 N LYS A 19 6.578 30.736 -5.638 1.00 0.00 N ATOM 261 CA LYS A 19 6.254 30.151 -4.342 1.00 0.00 C ATOM 262 C LYS A 19 5.180 29.077 -4.485 1.00 0.00 C ATOM 263 O LYS A 19 5.315 27.977 -3.949 1.00 0.00 O ATOM 264 CB LYS A 19 5.780 31.236 -3.373 1.00 0.00 C ATOM 265 CG LYS A 19 6.737 32.411 -3.260 1.00 0.00 C ATOM 266 CD LYS A 19 6.015 33.737 -3.426 1.00 0.00 C ATOM 267 CE LYS A 19 6.985 34.865 -3.739 1.00 0.00 C ATOM 268 NZ LYS A 19 6.447 36.191 -3.325 1.00 0.00 N ATOM 0 H LYS A 19 6.370 31.732 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 19 7.157 29.688 -3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.806 31.601 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.642 30.795 -2.386 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.233 32.385 -2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.515 32.322 -4.018 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.281 33.655 -4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.466 33.970 -2.513 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.931 34.682 -3.230 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.196 34.876 -4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.004 36.947 -3.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.453 36.270 -3.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.508 36.283 -2.291 1.00 0.00 H new ATOM 282 N MET A 20 4.115 29.404 -5.210 1.00 0.00 N ATOM 283 CA MET A 20 3.020 28.466 -5.424 1.00 0.00 C ATOM 284 C MET A 20 3.532 27.161 -6.026 1.00 0.00 C ATOM 285 O MET A 20 3.267 26.080 -5.501 1.00 0.00 O ATOM 286 CB MET A 20 1.962 29.085 -6.341 1.00 0.00 C ATOM 287 CG MET A 20 0.710 28.235 -6.482 1.00 0.00 C ATOM 288 SD MET A 20 -0.099 28.450 -8.080 1.00 0.00 S ATOM 289 CE MET A 20 -1.806 28.642 -7.573 1.00 0.00 C ATOM 0 H MET A 20 3.987 30.311 -5.659 1.00 0.00 H new ATOM 0 HA MET A 20 2.568 28.246 -4.457 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.684 30.065 -5.953 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.396 29.245 -7.328 1.00 0.00 H new ATOM 0 HG2 MET A 20 0.971 27.185 -6.350 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.010 28.492 -5.687 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.433 28.784 -8.453 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.129 27.749 -7.038 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.896 29.509 -6.919 1.00 0.00 H new ATOM 299 N GLN A 21 4.263 27.271 -7.131 1.00 0.00 N ATOM 300 CA GLN A 21 4.810 26.098 -7.803 1.00 0.00 C ATOM 301 C GLN A 21 5.760 25.337 -6.885 1.00 0.00 C ATOM 302 O GLN A 21 5.808 24.108 -6.907 1.00 0.00 O ATOM 303 CB GLN A 21 5.540 26.512 -9.082 1.00 0.00 C ATOM 304 CG GLN A 21 6.154 25.344 -9.838 1.00 0.00 C ATOM 305 CD GLN A 21 6.097 25.528 -11.342 1.00 0.00 C ATOM 306 OE1 GLN A 21 5.819 26.621 -11.835 1.00 0.00 O ATOM 307 NE2 GLN A 21 6.360 24.456 -12.079 1.00 0.00 N ATOM 0 H GLN A 21 4.490 28.159 -7.579 1.00 0.00 H new ATOM 0 HA GLN A 21 3.981 25.440 -8.062 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.841 27.031 -9.738 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.326 27.223 -8.828 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.192 25.222 -9.530 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.632 24.426 -9.568 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.586 23.570 -11.628 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.336 24.519 -13.097 1.00 0.00 H new ATOM 316 N ALA A 22 6.515 26.077 -6.079 1.00 0.00 N ATOM 317 CA ALA A 22 7.463 25.471 -5.151 1.00 0.00 C ATOM 318 C ALA A 22 6.740 24.683 -4.064 1.00 0.00 C ATOM 319 O ALA A 22 7.109 23.549 -3.756 1.00 0.00 O ATOM 320 CB ALA A 22 8.349 26.540 -4.530 1.00 0.00 C ATOM 0 H ALA A 22 6.489 27.096 -6.050 1.00 0.00 H new ATOM 0 HA ALA A 22 8.089 24.776 -5.711 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.052 26.074 -3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.901 27.057 -5.315 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.730 27.256 -3.990 1.00 0.00 H new ATOM 326 N PHE A 23 5.709 25.290 -3.487 1.00 0.00 N ATOM 327 CA PHE A 23 4.935 24.645 -2.432 1.00 0.00 C ATOM 328 C PHE A 23 4.273 23.370 -2.946 1.00 0.00 C ATOM 329 O PHE A 23 4.323 22.326 -2.295 1.00 0.00 O ATOM 330 CB PHE A 23 3.873 25.604 -1.891 1.00 0.00 C ATOM 331 CG PHE A 23 4.376 26.503 -0.798 1.00 0.00 C ATOM 332 CD1 PHE A 23 5.579 27.176 -0.936 1.00 0.00 C ATOM 333 CD2 PHE A 23 3.647 26.674 0.368 1.00 0.00 C ATOM 334 CE1 PHE A 23 6.045 28.004 0.068 1.00 0.00 C ATOM 335 CE2 PHE A 23 4.107 27.500 1.376 1.00 0.00 C ATOM 336 CZ PHE A 23 5.308 28.166 1.225 1.00 0.00 C ATOM 0 H PHE A 23 5.390 26.227 -3.732 1.00 0.00 H new ATOM 0 HA PHE A 23 5.618 24.378 -1.625 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.498 26.217 -2.710 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.030 25.025 -1.514 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.159 27.052 -1.838 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.708 26.155 0.491 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.984 28.524 -0.052 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.529 27.625 2.280 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.670 28.813 2.011 1.00 0.00 H new ATOM 346 N ILE A 24 3.650 23.464 -4.116 1.00 0.00 N ATOM 347 CA ILE A 24 2.978 22.319 -4.717 1.00 0.00 C ATOM 348 C ILE A 24 3.985 21.277 -5.192 1.00 0.00 C ATOM 349 O ILE A 24 3.686 20.084 -5.234 1.00 0.00 O ATOM 350 CB ILE A 24 2.098 22.745 -5.907 1.00 0.00 C ATOM 351 CG1 ILE A 24 1.262 21.562 -6.399 1.00 0.00 C ATOM 352 CG2 ILE A 24 2.959 23.298 -7.033 1.00 0.00 C ATOM 353 CD1 ILE A 24 0.132 21.962 -7.321 1.00 0.00 C ATOM 0 H ILE A 24 3.597 24.321 -4.666 1.00 0.00 H new ATOM 0 HA ILE A 24 2.345 21.883 -3.944 1.00 0.00 H new ATOM 0 HB ILE A 24 1.421 23.532 -5.576 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.913 20.859 -6.919 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.849 21.037 -5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.322 23.594 -7.866 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.514 24.165 -6.674 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.659 22.531 -7.366 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.417 21.073 -7.630 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.541 22.641 -6.798 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.539 22.461 -8.200 1.00 0.00 H new ATOM 365 N ARG A 25 5.181 21.737 -5.547 1.00 0.00 N ATOM 366 CA ARG A 25 6.234 20.844 -6.018 1.00 0.00 C ATOM 367 C ARG A 25 6.729 19.945 -4.889 1.00 0.00 C ATOM 368 O ARG A 25 6.844 18.731 -5.054 1.00 0.00 O ATOM 369 CB ARG A 25 7.399 21.653 -6.590 1.00 0.00 C ATOM 370 CG ARG A 25 7.340 21.822 -8.099 1.00 0.00 C ATOM 371 CD ARG A 25 8.616 22.450 -8.639 1.00 0.00 C ATOM 372 NE ARG A 25 8.782 22.207 -10.070 1.00 0.00 N ATOM 373 CZ ARG A 25 9.748 22.752 -10.800 1.00 0.00 C ATOM 374 NH1 ARG A 25 10.629 23.566 -10.238 1.00 0.00 N ATOM 375 NH2 ARG A 25 9.833 22.484 -12.097 1.00 0.00 N ATOM 0 H ARG A 25 5.445 22.722 -5.517 1.00 0.00 H new ATOM 0 HA ARG A 25 5.818 20.214 -6.804 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.410 22.638 -6.123 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.336 21.163 -6.324 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.184 20.851 -8.569 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.486 22.446 -8.363 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.598 23.524 -8.453 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.474 22.047 -8.101 1.00 0.00 H new ATOM 0 HE ARG A 25 8.120 21.585 -10.534 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.567 23.776 -9.242 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.370 23.983 -10.801 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.156 21.859 -12.534 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.575 22.903 -12.657 1.00 0.00 H new ATOM 389 N LYS A 26 7.023 20.550 -3.744 1.00 0.00 N ATOM 390 CA LYS A 26 7.505 19.806 -2.586 1.00 0.00 C ATOM 391 C LYS A 26 6.392 18.956 -1.983 1.00 0.00 C ATOM 392 O LYS A 26 6.594 17.782 -1.676 1.00 0.00 O ATOM 393 CB LYS A 26 8.057 20.766 -1.530 1.00 0.00 C ATOM 394 CG LYS A 26 9.356 20.296 -0.900 1.00 0.00 C ATOM 395 CD LYS A 26 9.943 21.351 0.022 1.00 0.00 C ATOM 396 CE LYS A 26 10.464 20.736 1.313 1.00 0.00 C ATOM 397 NZ LYS A 26 9.372 20.510 2.299 1.00 0.00 N ATOM 0 H LYS A 26 6.936 21.555 -3.592 1.00 0.00 H new ATOM 0 HA LYS A 26 8.304 19.144 -2.919 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.217 21.742 -1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.311 20.899 -0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.178 19.379 -0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.075 20.055 -1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.754 21.871 -0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.183 22.097 0.254 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.955 19.789 1.092 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.218 21.392 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.767 20.090 3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.919 21.417 2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.665 19.864 1.892 1.00 0.00 H new ATOM 411 N GLU A 27 5.217 19.557 -1.818 1.00 0.00 N ATOM 412 CA GLU A 27 4.073 18.853 -1.252 1.00 0.00 C ATOM 413 C GLU A 27 3.712 17.634 -2.096 1.00 0.00 C ATOM 414 O GLU A 27 3.514 16.539 -1.570 1.00 0.00 O ATOM 415 CB GLU A 27 2.869 19.791 -1.151 1.00 0.00 C ATOM 416 CG GLU A 27 1.776 19.281 -0.225 1.00 0.00 C ATOM 417 CD GLU A 27 0.401 19.797 -0.606 1.00 0.00 C ATOM 418 OE1 GLU A 27 0.104 20.971 -0.305 1.00 0.00 O ATOM 419 OE2 GLU A 27 -0.376 19.024 -1.206 1.00 0.00 O ATOM 0 H GLU A 27 5.033 20.529 -2.068 1.00 0.00 H new ATOM 0 HA GLU A 27 4.346 18.514 -0.253 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.207 20.766 -0.798 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.450 19.940 -2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.769 18.191 -0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.002 19.581 0.798 1.00 0.00 H new ATOM 426 N ALA A 28 3.629 17.833 -3.408 1.00 0.00 N ATOM 427 CA ALA A 28 3.295 16.750 -4.324 1.00 0.00 C ATOM 428 C ALA A 28 4.400 15.700 -4.361 1.00 0.00 C ATOM 429 O ALA A 28 4.131 14.500 -4.306 1.00 0.00 O ATOM 430 CB ALA A 28 3.040 17.300 -5.720 1.00 0.00 C ATOM 0 H ALA A 28 3.788 18.734 -3.859 1.00 0.00 H new ATOM 0 HA ALA A 28 2.386 16.269 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.792 16.480 -6.394 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.211 18.007 -5.687 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.935 17.808 -6.080 1.00 0.00 H new ATOM 436 N GLU A 29 5.644 16.160 -4.455 1.00 0.00 N ATOM 437 CA GLU A 29 6.790 15.259 -4.501 1.00 0.00 C ATOM 438 C GLU A 29 6.862 14.406 -3.237 1.00 0.00 C ATOM 439 O GLU A 29 7.033 13.190 -3.307 1.00 0.00 O ATOM 440 CB GLU A 29 8.086 16.054 -4.668 1.00 0.00 C ATOM 441 CG GLU A 29 9.333 15.186 -4.694 1.00 0.00 C ATOM 442 CD GLU A 29 10.428 15.765 -5.568 1.00 0.00 C ATOM 443 OE1 GLU A 29 10.705 16.976 -5.449 1.00 0.00 O ATOM 444 OE2 GLU A 29 11.010 15.004 -6.370 1.00 0.00 O ATOM 0 H GLU A 29 5.884 17.150 -4.501 1.00 0.00 H new ATOM 0 HA GLU A 29 6.666 14.598 -5.358 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.034 16.628 -5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.170 16.772 -3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.709 15.066 -3.678 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.072 14.192 -5.056 1.00 0.00 H new ATOM 451 N GLU A 30 6.732 15.056 -2.085 1.00 0.00 N ATOM 452 CA GLU A 30 6.785 14.358 -0.806 1.00 0.00 C ATOM 453 C GLU A 30 5.642 13.354 -0.686 1.00 0.00 C ATOM 454 O GLU A 30 5.850 12.200 -0.310 1.00 0.00 O ATOM 455 CB GLU A 30 6.722 15.360 0.350 1.00 0.00 C ATOM 456 CG GLU A 30 7.047 14.749 1.703 1.00 0.00 C ATOM 457 CD GLU A 30 6.440 15.526 2.854 1.00 0.00 C ATOM 458 OE1 GLU A 30 5.204 15.704 2.865 1.00 0.00 O ATOM 459 OE2 GLU A 30 7.201 15.957 3.746 1.00 0.00 O ATOM 0 H GLU A 30 6.589 16.063 -2.011 1.00 0.00 H new ATOM 0 HA GLU A 30 7.729 13.815 -0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.418 16.175 0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.724 15.796 0.388 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.683 13.722 1.731 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.129 14.707 1.828 1.00 0.00 H new ATOM 466 N LYS A 31 4.433 13.803 -1.006 1.00 0.00 N ATOM 467 CA LYS A 31 3.255 12.946 -0.936 1.00 0.00 C ATOM 468 C LYS A 31 3.385 11.763 -1.890 1.00 0.00 C ATOM 469 O LYS A 31 3.090 10.625 -1.527 1.00 0.00 O ATOM 470 CB LYS A 31 1.995 13.747 -1.269 1.00 0.00 C ATOM 471 CG LYS A 31 0.735 12.901 -1.336 1.00 0.00 C ATOM 472 CD LYS A 31 -0.471 13.728 -1.747 1.00 0.00 C ATOM 473 CE LYS A 31 -1.734 12.882 -1.804 1.00 0.00 C ATOM 474 NZ LYS A 31 -1.793 12.055 -3.040 1.00 0.00 N ATOM 0 H LYS A 31 4.243 14.756 -1.316 1.00 0.00 H new ATOM 0 HA LYS A 31 3.176 12.563 0.081 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.860 14.525 -0.518 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.136 14.249 -2.226 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.879 12.088 -2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.550 12.445 -0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.611 14.545 -1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.289 14.178 -2.723 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.775 12.232 -0.930 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.608 13.531 -1.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.668 11.494 -3.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.779 12.676 -3.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.972 11.417 -3.070 1.00 0.00 H new ATOM 488 N ALA A 32 3.829 12.040 -3.112 1.00 0.00 N ATOM 489 CA ALA A 32 4.002 10.998 -4.117 1.00 0.00 C ATOM 490 C ALA A 32 5.027 9.964 -3.664 1.00 0.00 C ATOM 491 O ALA A 32 4.838 8.762 -3.856 1.00 0.00 O ATOM 492 CB ALA A 32 4.418 11.611 -5.446 1.00 0.00 C ATOM 0 H ALA A 32 4.075 12.977 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 32 3.046 10.490 -4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.544 10.822 -6.187 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.649 12.306 -5.783 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.360 12.145 -5.321 1.00 0.00 H new ATOM 498 N LYS A 33 6.114 10.437 -3.065 1.00 0.00 N ATOM 499 CA LYS A 33 7.170 9.555 -2.585 1.00 0.00 C ATOM 500 C LYS A 33 6.668 8.678 -1.440 1.00 0.00 C ATOM 501 O LYS A 33 6.962 7.485 -1.387 1.00 0.00 O ATOM 502 CB LYS A 33 8.377 10.373 -2.122 1.00 0.00 C ATOM 503 CG LYS A 33 9.456 10.516 -3.181 1.00 0.00 C ATOM 504 CD LYS A 33 10.714 9.752 -2.802 1.00 0.00 C ATOM 505 CE LYS A 33 11.825 10.692 -2.358 1.00 0.00 C ATOM 506 NZ LYS A 33 11.848 10.865 -0.880 1.00 0.00 N ATOM 0 H LYS A 33 6.287 11.429 -2.900 1.00 0.00 H new ATOM 0 HA LYS A 33 7.472 8.910 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.040 11.365 -1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.807 9.902 -1.238 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.080 10.149 -4.136 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.697 11.570 -3.317 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.487 9.051 -1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.053 9.163 -3.654 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.786 10.302 -2.693 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.691 11.663 -2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.619 11.512 -0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.940 11.261 -0.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.001 9.943 -0.425 1.00 0.00 H new ATOM 520 N GLU A 34 5.909 9.280 -0.530 1.00 0.00 N ATOM 521 CA GLU A 34 5.367 8.552 0.611 1.00 0.00 C ATOM 522 C GLU A 34 4.419 7.448 0.153 1.00 0.00 C ATOM 523 O GLU A 34 4.515 6.306 0.605 1.00 0.00 O ATOM 524 CB GLU A 34 4.633 9.511 1.553 1.00 0.00 C ATOM 525 CG GLU A 34 4.968 9.299 3.019 1.00 0.00 C ATOM 526 CD GLU A 34 3.948 8.433 3.732 1.00 0.00 C ATOM 527 OE1 GLU A 34 2.740 8.727 3.623 1.00 0.00 O ATOM 528 OE2 GLU A 34 4.358 7.459 4.398 1.00 0.00 O ATOM 0 H GLU A 34 5.656 10.268 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 34 6.199 8.093 1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.879 10.537 1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.558 9.392 1.414 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.952 8.836 3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.029 10.267 3.517 1.00 0.00 H new ATOM 535 N ILE A 35 3.506 7.796 -0.746 1.00 0.00 N ATOM 536 CA ILE A 35 2.541 6.834 -1.267 1.00 0.00 C ATOM 537 C ILE A 35 3.219 5.811 -2.171 1.00 0.00 C ATOM 538 O ILE A 35 2.822 4.647 -2.214 1.00 0.00 O ATOM 539 CB ILE A 35 1.418 7.533 -2.054 1.00 0.00 C ATOM 540 CG1 ILE A 35 0.694 8.546 -1.163 1.00 0.00 C ATOM 541 CG2 ILE A 35 0.438 6.507 -2.603 1.00 0.00 C ATOM 542 CD1 ILE A 35 -0.027 7.914 0.007 1.00 0.00 C ATOM 0 H ILE A 35 3.413 8.737 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 35 2.107 6.325 -0.407 1.00 0.00 H new ATOM 0 HB ILE A 35 1.862 8.068 -2.893 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.418 9.269 -0.786 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.025 9.100 -1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.350 7.017 -3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.963 5.821 -3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.002 5.947 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.517 8.690 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.775 7.212 -0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.691 7.384 0.633 1.00 0.00 H new ATOM 554 N GLN A 36 4.246 6.252 -2.891 1.00 0.00 N ATOM 555 CA GLN A 36 4.980 5.374 -3.793 1.00 0.00 C ATOM 556 C GLN A 36 5.805 4.357 -3.012 1.00 0.00 C ATOM 557 O GLN A 36 5.788 3.164 -3.314 1.00 0.00 O ATOM 558 CB GLN A 36 5.891 6.194 -4.708 1.00 0.00 C ATOM 559 CG GLN A 36 6.679 5.350 -5.697 1.00 0.00 C ATOM 560 CD GLN A 36 8.165 5.334 -5.396 1.00 0.00 C ATOM 561 OE1 GLN A 36 8.576 5.218 -4.241 1.00 0.00 O ATOM 562 NE2 GLN A 36 8.982 5.454 -6.437 1.00 0.00 N ATOM 0 H GLN A 36 4.588 7.213 -2.867 1.00 0.00 H new ATOM 0 HA GLN A 36 4.256 4.834 -4.403 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.286 6.914 -5.259 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.588 6.766 -4.095 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.298 4.329 -5.682 1.00 0.00 H new ATOM 0 HG3 GLN A 36 6.520 5.735 -6.704 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.599 5.548 -7.378 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.992 5.452 -6.295 1.00 0.00 H new ATOM 571 N LEU A 37 6.528 4.838 -2.006 1.00 0.00 N ATOM 572 CA LEU A 37 7.362 3.971 -1.180 1.00 0.00 C ATOM 573 C LEU A 37 6.504 3.078 -0.291 1.00 0.00 C ATOM 574 O LEU A 37 6.864 1.934 -0.010 1.00 0.00 O ATOM 575 CB LEU A 37 8.308 4.810 -0.319 1.00 0.00 C ATOM 576 CG LEU A 37 7.715 5.378 0.970 1.00 0.00 C ATOM 577 CD1 LEU A 37 7.883 4.392 2.115 1.00 0.00 C ATOM 578 CD2 LEU A 37 8.363 6.711 1.313 1.00 0.00 C ATOM 0 H LEU A 37 6.554 5.823 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 37 7.951 3.336 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.171 4.197 -0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.677 5.640 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 37 6.649 5.544 0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.455 4.814 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.372 3.461 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.943 4.193 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.928 7.101 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.435 6.570 1.449 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.190 7.419 0.502 1.00 0.00 H new ATOM 590 N LYS A 38 5.367 3.605 0.148 1.00 0.00 N ATOM 591 CA LYS A 38 4.454 2.855 1.004 1.00 0.00 C ATOM 592 C LYS A 38 3.788 1.722 0.227 1.00 0.00 C ATOM 593 O LYS A 38 3.739 0.584 0.694 1.00 0.00 O ATOM 594 CB LYS A 38 3.386 3.785 1.583 1.00 0.00 C ATOM 595 CG LYS A 38 3.845 4.542 2.818 1.00 0.00 C ATOM 596 CD LYS A 38 3.044 4.145 4.046 1.00 0.00 C ATOM 597 CE LYS A 38 1.767 4.963 4.167 1.00 0.00 C ATOM 598 NZ LYS A 38 0.752 4.284 5.019 1.00 0.00 N ATOM 0 H LYS A 38 5.054 4.550 -0.075 1.00 0.00 H new ATOM 0 HA LYS A 38 5.033 2.423 1.820 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.086 4.501 0.818 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.502 3.198 1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.903 4.346 2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.744 5.614 2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.795 3.085 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.653 4.284 4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.000 5.940 4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.351 5.136 3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.103 4.873 5.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.510 3.362 4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.139 4.142 5.974 1.00 0.00 H new ATOM 612 N ALA A 39 3.282 2.041 -0.958 1.00 0.00 N ATOM 613 CA ALA A 39 2.623 1.049 -1.799 1.00 0.00 C ATOM 614 C ALA A 39 3.613 -0.005 -2.282 1.00 0.00 C ATOM 615 O ALA A 39 3.335 -1.204 -2.224 1.00 0.00 O ATOM 616 CB ALA A 39 1.950 1.725 -2.985 1.00 0.00 C ATOM 0 H ALA A 39 3.315 2.979 -1.358 1.00 0.00 H new ATOM 0 HA ALA A 39 1.862 0.549 -1.200 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.462 0.972 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.207 2.436 -2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.699 2.252 -3.577 1.00 0.00 H new ATOM 622 N ASP A 40 4.767 0.448 -2.758 1.00 0.00 N ATOM 623 CA ASP A 40 5.800 -0.458 -3.250 1.00 0.00 C ATOM 624 C ASP A 40 6.309 -1.361 -2.131 1.00 0.00 C ATOM 625 O ASP A 40 6.499 -2.560 -2.328 1.00 0.00 O ATOM 626 CB ASP A 40 6.959 0.336 -3.851 1.00 0.00 C ATOM 627 CG ASP A 40 8.071 -0.560 -4.361 1.00 0.00 C ATOM 628 OD1 ASP A 40 8.956 -0.922 -3.559 1.00 0.00 O ATOM 629 OD2 ASP A 40 8.057 -0.898 -5.564 1.00 0.00 O ATOM 0 H ASP A 40 5.012 1.437 -2.814 1.00 0.00 H new ATOM 0 HA ASP A 40 5.360 -1.086 -4.025 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.588 0.952 -4.670 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.360 1.015 -3.098 1.00 0.00 H new ATOM 634 N GLN A 41 6.530 -0.774 -0.959 1.00 0.00 N ATOM 635 CA GLN A 41 7.019 -1.526 0.190 1.00 0.00 C ATOM 636 C GLN A 41 6.006 -2.579 0.624 1.00 0.00 C ATOM 637 O GLN A 41 6.365 -3.723 0.901 1.00 0.00 O ATOM 638 CB GLN A 41 7.319 -0.580 1.354 1.00 0.00 C ATOM 639 CG GLN A 41 7.958 -1.269 2.549 1.00 0.00 C ATOM 640 CD GLN A 41 9.261 -0.619 2.971 1.00 0.00 C ATOM 641 OE1 GLN A 41 10.318 -0.891 2.400 1.00 0.00 O ATOM 642 NE2 GLN A 41 9.193 0.248 3.975 1.00 0.00 N ATOM 0 H GLN A 41 6.378 0.219 -0.781 1.00 0.00 H new ATOM 0 HA GLN A 41 7.938 -2.033 -0.104 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.981 0.213 1.006 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.392 -0.104 1.673 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.261 -1.254 3.387 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.141 -2.315 2.305 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.296 0.444 4.420 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.038 0.718 4.301 1.00 0.00 H new ATOM 651 N GLU A 42 4.737 -2.185 0.681 1.00 0.00 N ATOM 652 CA GLU A 42 3.672 -3.096 1.083 1.00 0.00 C ATOM 653 C GLU A 42 3.485 -4.203 0.049 1.00 0.00 C ATOM 654 O GLU A 42 3.162 -5.340 0.394 1.00 0.00 O ATOM 655 CB GLU A 42 2.360 -2.331 1.271 1.00 0.00 C ATOM 656 CG GLU A 42 2.049 -2.004 2.722 1.00 0.00 C ATOM 657 CD GLU A 42 0.609 -2.306 3.092 1.00 0.00 C ATOM 658 OE1 GLU A 42 -0.264 -2.204 2.206 1.00 0.00 O ATOM 659 OE2 GLU A 42 0.357 -2.645 4.267 1.00 0.00 O ATOM 0 H GLU A 42 4.422 -1.242 0.454 1.00 0.00 H new ATOM 0 HA GLU A 42 3.957 -3.552 2.031 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.405 -1.404 0.700 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.542 -2.921 0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.714 -2.575 3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.254 -0.949 2.905 1.00 0.00 H new ATOM 666 N TYR A 43 3.687 -3.861 -1.218 1.00 0.00 N ATOM 667 CA TYR A 43 3.537 -4.824 -2.303 1.00 0.00 C ATOM 668 C TYR A 43 4.663 -5.854 -2.276 1.00 0.00 C ATOM 669 O TYR A 43 4.439 -7.040 -2.514 1.00 0.00 O ATOM 670 CB TYR A 43 3.521 -4.105 -3.652 1.00 0.00 C ATOM 671 CG TYR A 43 2.638 -4.772 -4.683 1.00 0.00 C ATOM 672 CD1 TYR A 43 1.273 -4.913 -4.470 1.00 0.00 C ATOM 673 CD2 TYR A 43 3.171 -5.260 -5.870 1.00 0.00 C ATOM 674 CE1 TYR A 43 0.463 -5.523 -5.409 1.00 0.00 C ATOM 675 CE2 TYR A 43 2.368 -5.870 -6.815 1.00 0.00 C ATOM 676 CZ TYR A 43 1.015 -5.999 -6.580 1.00 0.00 C ATOM 677 OH TYR A 43 0.211 -6.606 -7.518 1.00 0.00 O ATOM 0 H TYR A 43 3.955 -2.924 -1.520 1.00 0.00 H new ATOM 0 HA TYR A 43 2.589 -5.344 -2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.182 -3.080 -3.504 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.539 -4.051 -4.038 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.837 -4.540 -3.555 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.230 -5.161 -6.057 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.597 -5.626 -5.227 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.798 -6.244 -7.733 1.00 0.00 H new ATOM 0 HH TYR A 43 0.755 -6.883 -8.285 1.00 0.00 H new ATOM 687 N GLU A 44 5.873 -5.390 -1.984 1.00 0.00 N ATOM 688 CA GLU A 44 7.035 -6.271 -1.927 1.00 0.00 C ATOM 689 C GLU A 44 6.937 -7.221 -0.738 1.00 0.00 C ATOM 690 O GLU A 44 7.144 -8.428 -0.877 1.00 0.00 O ATOM 691 CB GLU A 44 8.322 -5.447 -1.830 1.00 0.00 C ATOM 692 CG GLU A 44 9.498 -6.070 -2.565 1.00 0.00 C ATOM 693 CD GLU A 44 10.366 -5.037 -3.257 1.00 0.00 C ATOM 694 OE1 GLU A 44 9.917 -4.471 -4.276 1.00 0.00 O ATOM 695 OE2 GLU A 44 11.494 -4.795 -2.779 1.00 0.00 O ATOM 0 H GLU A 44 6.075 -4.411 -1.783 1.00 0.00 H new ATOM 0 HA GLU A 44 7.058 -6.862 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.138 -4.451 -2.234 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.585 -5.322 -0.780 1.00 0.00 H new ATOM 0 HG2 GLU A 44 10.106 -6.635 -1.858 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.125 -6.780 -3.304 1.00 0.00 H new ATOM 702 N ILE A 45 6.622 -6.671 0.430 1.00 0.00 N ATOM 703 CA ILE A 45 6.496 -7.470 1.642 1.00 0.00 C ATOM 704 C ILE A 45 5.328 -8.446 1.539 1.00 0.00 C ATOM 705 O ILE A 45 5.440 -9.606 1.933 1.00 0.00 O ATOM 706 CB ILE A 45 6.299 -6.582 2.884 1.00 0.00 C ATOM 707 CG1 ILE A 45 7.511 -5.668 3.081 1.00 0.00 C ATOM 708 CG2 ILE A 45 6.071 -7.441 4.119 1.00 0.00 C ATOM 709 CD1 ILE A 45 8.787 -6.415 3.399 1.00 0.00 C ATOM 0 H ILE A 45 6.449 -5.674 0.562 1.00 0.00 H new ATOM 0 HA ILE A 45 7.426 -8.029 1.749 1.00 0.00 H new ATOM 0 HB ILE A 45 5.418 -5.959 2.731 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.661 -5.078 2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.299 -4.967 3.888 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.933 -6.799 4.989 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.181 -8.054 3.976 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.935 -8.087 4.278 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.603 -5.704 3.525 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.656 -6.984 4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.023 -7.096 2.582 1.00 0.00 H new ATOM 721 N GLU A 46 4.209 -7.967 1.004 1.00 0.00 N ATOM 722 CA GLU A 46 3.021 -8.797 0.848 1.00 0.00 C ATOM 723 C GLU A 46 3.285 -9.950 -0.116 1.00 0.00 C ATOM 724 O GLU A 46 2.964 -11.103 0.172 1.00 0.00 O ATOM 725 CB GLU A 46 1.846 -7.957 0.345 1.00 0.00 C ATOM 726 CG GLU A 46 1.159 -7.155 1.438 1.00 0.00 C ATOM 727 CD GLU A 46 0.087 -6.230 0.896 1.00 0.00 C ATOM 728 OE1 GLU A 46 -0.576 -6.604 -0.092 1.00 0.00 O ATOM 729 OE2 GLU A 46 -0.088 -5.130 1.463 1.00 0.00 O ATOM 0 H GLU A 46 4.101 -7.009 0.672 1.00 0.00 H new ATOM 0 HA GLU A 46 2.770 -9.212 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.202 -7.274 -0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.115 -8.615 -0.125 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.712 -7.839 2.159 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.904 -6.567 1.975 1.00 0.00 H new ATOM 736 N LYS A 47 3.874 -9.629 -1.264 1.00 0.00 N ATOM 737 CA LYS A 47 4.184 -10.636 -2.272 1.00 0.00 C ATOM 738 C LYS A 47 5.144 -11.684 -1.719 1.00 0.00 C ATOM 739 O LYS A 47 4.927 -12.886 -1.875 1.00 0.00 O ATOM 740 CB LYS A 47 4.791 -9.976 -3.512 1.00 0.00 C ATOM 741 CG LYS A 47 4.948 -10.922 -4.690 1.00 0.00 C ATOM 742 CD LYS A 47 6.405 -11.068 -5.098 1.00 0.00 C ATOM 743 CE LYS A 47 6.539 -11.428 -6.569 1.00 0.00 C ATOM 744 NZ LYS A 47 7.920 -11.197 -7.074 1.00 0.00 N ATOM 0 H LYS A 47 4.146 -8.680 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 47 3.254 -11.133 -2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.162 -9.138 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.767 -9.566 -3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.543 -11.900 -4.429 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.368 -10.551 -5.535 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.934 -10.136 -4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.879 -11.838 -4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.270 -12.475 -6.712 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.835 -10.835 -7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.969 -11.455 -8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.168 -10.193 -6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.589 -11.782 -6.534 1.00 0.00 H new ATOM 758 N THR A 48 6.208 -11.221 -1.070 1.00 0.00 N ATOM 759 CA THR A 48 7.202 -12.118 -0.493 1.00 0.00 C ATOM 760 C THR A 48 6.584 -13.003 0.582 1.00 0.00 C ATOM 761 O THR A 48 6.914 -14.183 0.692 1.00 0.00 O ATOM 762 CB THR A 48 8.378 -11.333 0.118 1.00 0.00 C ATOM 763 OG1 THR A 48 8.969 -10.485 -0.873 1.00 0.00 O ATOM 764 CG2 THR A 48 9.430 -12.281 0.674 1.00 0.00 C ATOM 0 H THR A 48 6.403 -10.230 -0.931 1.00 0.00 H new ATOM 0 HA THR A 48 7.574 -12.743 -1.305 1.00 0.00 H new ATOM 0 HB THR A 48 7.993 -10.722 0.935 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.415 -9.685 -0.992 1.00 0.00 H new ATOM 0 HG21 THR A 48 10.251 -11.704 1.100 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.984 -12.905 1.449 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.810 -12.914 -0.128 1.00 0.00 H new ATOM 772 N ASN A 49 5.685 -12.427 1.374 1.00 0.00 N ATOM 773 CA ASN A 49 5.020 -13.167 2.441 1.00 0.00 C ATOM 774 C ASN A 49 4.155 -14.285 1.870 1.00 0.00 C ATOM 775 O ASN A 49 4.204 -15.423 2.339 1.00 0.00 O ATOM 776 CB ASN A 49 4.162 -12.222 3.285 1.00 0.00 C ATOM 777 CG ASN A 49 3.657 -12.880 4.555 1.00 0.00 C ATOM 778 OD1 ASN A 49 3.123 -13.989 4.522 1.00 0.00 O ATOM 779 ND2 ASN A 49 3.825 -12.198 5.682 1.00 0.00 N ATOM 0 H ASN A 49 5.400 -11.451 1.297 1.00 0.00 H new ATOM 0 HA ASN A 49 5.787 -13.614 3.074 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.746 -11.339 3.544 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.313 -11.880 2.693 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.506 -12.590 6.568 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.273 -11.282 5.662 1.00 0.00 H new ATOM 786 N ILE A 50 3.363 -13.954 0.856 1.00 0.00 N ATOM 787 CA ILE A 50 2.487 -14.931 0.221 1.00 0.00 C ATOM 788 C ILE A 50 3.293 -16.054 -0.423 1.00 0.00 C ATOM 789 O ILE A 50 2.962 -17.232 -0.279 1.00 0.00 O ATOM 790 CB ILE A 50 1.595 -14.275 -0.850 1.00 0.00 C ATOM 791 CG1 ILE A 50 0.727 -13.184 -0.223 1.00 0.00 C ATOM 792 CG2 ILE A 50 0.728 -15.323 -1.532 1.00 0.00 C ATOM 793 CD1 ILE A 50 0.523 -11.983 -1.120 1.00 0.00 C ATOM 0 H ILE A 50 3.310 -13.017 0.457 1.00 0.00 H new ATOM 0 HA ILE A 50 1.854 -15.345 1.006 1.00 0.00 H new ATOM 0 HB ILE A 50 2.235 -13.816 -1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.245 -13.606 0.032 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.187 -12.857 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.103 -14.844 -2.286 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.365 -16.068 -2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.094 -15.809 -0.791 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.102 -11.250 -0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.489 -11.536 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.035 -12.297 -2.043 1.00 0.00 H new ATOM 805 N VAL A 51 4.353 -15.682 -1.133 1.00 0.00 N ATOM 806 CA VAL A 51 5.209 -16.659 -1.797 1.00 0.00 C ATOM 807 C VAL A 51 5.855 -17.601 -0.787 1.00 0.00 C ATOM 808 O VAL A 51 5.886 -18.815 -0.988 1.00 0.00 O ATOM 809 CB VAL A 51 6.315 -15.969 -2.618 1.00 0.00 C ATOM 810 CG1 VAL A 51 7.216 -17.004 -3.276 1.00 0.00 C ATOM 811 CG2 VAL A 51 5.706 -15.042 -3.658 1.00 0.00 C ATOM 0 H VAL A 51 4.640 -14.712 -1.263 1.00 0.00 H new ATOM 0 HA VAL A 51 4.571 -17.233 -2.469 1.00 0.00 H new ATOM 0 HB VAL A 51 6.925 -15.369 -1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.991 -16.498 -3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.680 -17.623 -2.508 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.623 -17.633 -3.940 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.502 -14.563 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.072 -15.618 -4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.107 -14.280 -3.160 1.00 0.00 H new ATOM 821 N ARG A 52 6.368 -17.033 0.300 1.00 0.00 N ATOM 822 CA ARG A 52 7.013 -17.823 1.343 1.00 0.00 C ATOM 823 C ARG A 52 6.016 -18.773 2.000 1.00 0.00 C ATOM 824 O ARG A 52 6.292 -19.960 2.165 1.00 0.00 O ATOM 825 CB ARG A 52 7.632 -16.905 2.397 1.00 0.00 C ATOM 826 CG ARG A 52 9.095 -16.582 2.141 1.00 0.00 C ATOM 827 CD ARG A 52 9.614 -15.538 3.117 1.00 0.00 C ATOM 828 NE ARG A 52 11.027 -15.739 3.432 1.00 0.00 N ATOM 829 CZ ARG A 52 12.009 -15.549 2.558 1.00 0.00 C ATOM 830 NH1 ARG A 52 11.734 -15.156 1.322 1.00 0.00 N ATOM 831 NH2 ARG A 52 13.268 -15.752 2.920 1.00 0.00 N ATOM 0 H ARG A 52 6.350 -16.029 0.481 1.00 0.00 H new ATOM 0 HA ARG A 52 7.802 -18.416 0.880 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.065 -15.975 2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.539 -17.375 3.376 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.690 -17.491 2.228 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.215 -16.219 1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.475 -14.544 2.693 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.028 -15.577 4.036 1.00 0.00 H new ATOM 0 HE ARG A 52 11.272 -16.042 4.375 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.766 -14.999 1.040 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.490 -15.011 0.653 1.00 0.00 H new ATOM 0 HH21 ARG A 52 13.483 -16.054 3.870 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.022 -15.606 2.248 1.00 0.00 H new ATOM 845 N ASN A 53 4.858 -18.240 2.376 1.00 0.00 N ATOM 846 CA ASN A 53 3.821 -19.039 3.017 1.00 0.00 C ATOM 847 C ASN A 53 3.316 -20.130 2.077 1.00 0.00 C ATOM 848 O ASN A 53 3.191 -21.290 2.469 1.00 0.00 O ATOM 849 CB ASN A 53 2.656 -18.147 3.453 1.00 0.00 C ATOM 850 CG ASN A 53 1.582 -18.920 4.194 1.00 0.00 C ATOM 851 OD1 ASN A 53 0.803 -19.657 3.590 1.00 0.00 O ATOM 852 ND2 ASN A 53 1.536 -18.752 5.511 1.00 0.00 N ATOM 0 H ASN A 53 4.615 -17.258 2.248 1.00 0.00 H new ATOM 0 HA ASN A 53 4.255 -19.514 3.897 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.033 -17.349 4.093 1.00 0.00 H new ATOM 0 HB3 ASN A 53 2.218 -17.672 2.575 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.834 -19.244 6.064 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.202 -18.131 5.969 1.00 0.00 H new ATOM 859 N GLU A 54 3.028 -19.750 0.837 1.00 0.00 N ATOM 860 CA GLU A 54 2.537 -20.696 -0.158 1.00 0.00 C ATOM 861 C GLU A 54 3.550 -21.814 -0.391 1.00 0.00 C ATOM 862 O GLU A 54 3.198 -22.995 -0.398 1.00 0.00 O ATOM 863 CB GLU A 54 2.242 -19.978 -1.476 1.00 0.00 C ATOM 864 CG GLU A 54 1.479 -20.829 -2.476 1.00 0.00 C ATOM 865 CD GLU A 54 2.340 -21.274 -3.642 1.00 0.00 C ATOM 866 OE1 GLU A 54 2.708 -20.412 -4.468 1.00 0.00 O ATOM 867 OE2 GLU A 54 2.647 -22.481 -3.728 1.00 0.00 O ATOM 0 H GLU A 54 3.126 -18.793 0.497 1.00 0.00 H new ATOM 0 HA GLU A 54 1.615 -21.137 0.221 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.668 -19.075 -1.267 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.183 -19.661 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.079 -21.707 -1.969 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.627 -20.263 -2.854 1.00 0.00 H new ATOM 874 N THR A 55 4.809 -21.435 -0.581 1.00 0.00 N ATOM 875 CA THR A 55 5.873 -22.403 -0.816 1.00 0.00 C ATOM 876 C THR A 55 6.014 -23.360 0.362 1.00 0.00 C ATOM 877 O THR A 55 6.152 -24.569 0.178 1.00 0.00 O ATOM 878 CB THR A 55 7.223 -21.706 -1.061 1.00 0.00 C ATOM 879 OG1 THR A 55 7.123 -20.820 -2.182 1.00 0.00 O ATOM 880 CG2 THR A 55 8.323 -22.727 -1.313 1.00 0.00 C ATOM 0 H THR A 55 5.118 -20.463 -0.577 1.00 0.00 H new ATOM 0 HA THR A 55 5.597 -22.966 -1.708 1.00 0.00 H new ATOM 0 HB THR A 55 7.477 -21.134 -0.168 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.881 -19.923 -1.870 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.267 -22.210 -1.483 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.418 -23.380 -0.446 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.072 -23.323 -2.191 1.00 0.00 H new ATOM 888 N ASN A 56 5.980 -22.811 1.572 1.00 0.00 N ATOM 889 CA ASN A 56 6.103 -23.618 2.781 1.00 0.00 C ATOM 890 C ASN A 56 4.902 -24.544 2.943 1.00 0.00 C ATOM 891 O ASN A 56 5.036 -25.676 3.404 1.00 0.00 O ATOM 892 CB ASN A 56 6.236 -22.716 4.010 1.00 0.00 C ATOM 893 CG ASN A 56 6.051 -23.476 5.308 1.00 0.00 C ATOM 894 OD1 ASN A 56 6.972 -24.132 5.794 1.00 0.00 O ATOM 895 ND2 ASN A 56 4.853 -23.392 5.876 1.00 0.00 N ATOM 0 H ASN A 56 5.868 -21.811 1.741 1.00 0.00 H new ATOM 0 HA ASN A 56 7.000 -24.230 2.689 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.218 -22.244 4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.497 -21.916 3.952 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.668 -23.883 6.751 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.119 -22.836 5.438 1.00 0.00 H new ATOM 902 N ASN A 57 3.728 -24.052 2.561 1.00 0.00 N ATOM 903 CA ASN A 57 2.502 -24.835 2.664 1.00 0.00 C ATOM 904 C ASN A 57 2.525 -26.014 1.695 1.00 0.00 C ATOM 905 O ASN A 57 2.427 -27.171 2.106 1.00 0.00 O ATOM 906 CB ASN A 57 1.284 -23.954 2.382 1.00 0.00 C ATOM 907 CG ASN A 57 0.025 -24.476 3.048 1.00 0.00 C ATOM 908 OD1 ASN A 57 -0.846 -25.046 2.392 1.00 0.00 O ATOM 909 ND2 ASN A 57 -0.075 -24.283 4.358 1.00 0.00 N ATOM 0 H ASN A 57 3.600 -23.116 2.178 1.00 0.00 H new ATOM 0 HA ASN A 57 2.434 -25.224 3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.483 -22.941 2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.124 -23.894 1.305 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.899 -24.613 4.861 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.672 -23.805 4.862 1.00 0.00 H new ATOM 916 N ILE A 58 2.658 -25.711 0.408 1.00 0.00 N ATOM 917 CA ILE A 58 2.697 -26.745 -0.620 1.00 0.00 C ATOM 918 C ILE A 58 3.826 -27.736 -0.359 1.00 0.00 C ATOM 919 O ILE A 58 3.651 -28.946 -0.507 1.00 0.00 O ATOM 920 CB ILE A 58 2.874 -26.138 -2.022 1.00 0.00 C ATOM 921 CG1 ILE A 58 1.738 -25.159 -2.326 1.00 0.00 C ATOM 922 CG2 ILE A 58 2.928 -27.237 -3.073 1.00 0.00 C ATOM 923 CD1 ILE A 58 0.376 -25.814 -2.382 1.00 0.00 C ATOM 0 H ILE A 58 2.741 -24.759 0.052 1.00 0.00 H new ATOM 0 HA ILE A 58 1.742 -27.268 -0.579 1.00 0.00 H new ATOM 0 HB ILE A 58 3.816 -25.591 -2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.727 -24.380 -1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.936 -24.669 -3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.053 -26.791 -4.060 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.768 -27.899 -2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.001 -27.809 -3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.381 -25.061 -2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.370 -26.574 -3.164 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.157 -26.280 -1.421 1.00 0.00 H new ATOM 935 N ASP A 59 4.985 -27.214 0.030 1.00 0.00 N ATOM 936 CA ASP A 59 6.144 -28.054 0.313 1.00 0.00 C ATOM 937 C ASP A 59 5.893 -28.933 1.534 1.00 0.00 C ATOM 938 O ASP A 59 6.288 -30.098 1.564 1.00 0.00 O ATOM 939 CB ASP A 59 7.384 -27.187 0.540 1.00 0.00 C ATOM 940 CG ASP A 59 8.627 -28.013 0.802 1.00 0.00 C ATOM 941 OD1 ASP A 59 8.832 -28.426 1.964 1.00 0.00 O ATOM 942 OD2 ASP A 59 9.396 -28.249 -0.153 1.00 0.00 O ATOM 0 H ASP A 59 5.147 -26.215 0.156 1.00 0.00 H new ATOM 0 HA ASP A 59 6.313 -28.700 -0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.548 -26.556 -0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.209 -26.521 1.385 1.00 0.00 H new ATOM 947 N GLY A 60 5.232 -28.366 2.539 1.00 0.00 N ATOM 948 CA GLY A 60 4.941 -29.113 3.749 1.00 0.00 C ATOM 949 C GLY A 60 3.916 -30.208 3.522 1.00 0.00 C ATOM 950 O GLY A 60 4.018 -31.291 4.096 1.00 0.00 O ATOM 0 H GLY A 60 4.893 -27.404 2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.862 -29.555 4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.575 -28.430 4.515 1.00 0.00 H new ATOM 954 N ASN A 61 2.924 -29.923 2.684 1.00 0.00 N ATOM 955 CA ASN A 61 1.876 -30.891 2.385 1.00 0.00 C ATOM 956 C ASN A 61 2.417 -32.034 1.532 1.00 0.00 C ATOM 957 O ASN A 61 2.157 -33.206 1.808 1.00 0.00 O ATOM 958 CB ASN A 61 0.713 -30.207 1.661 1.00 0.00 C ATOM 959 CG ASN A 61 -0.240 -29.520 2.620 1.00 0.00 C ATOM 960 OD1 ASN A 61 -0.480 -28.317 2.519 1.00 0.00 O ATOM 961 ND2 ASN A 61 -0.788 -30.284 3.558 1.00 0.00 N ATOM 0 H ASN A 61 2.824 -29.030 2.201 1.00 0.00 H new ATOM 0 HA ASN A 61 1.518 -31.303 3.328 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.107 -29.474 0.957 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.166 -30.947 1.077 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.437 -29.878 4.232 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.560 -31.277 3.604 1.00 0.00 H new ATOM 968 N PHE A 62 3.173 -31.686 0.497 1.00 0.00 N ATOM 969 CA PHE A 62 3.752 -32.683 -0.396 1.00 0.00 C ATOM 970 C PHE A 62 4.777 -33.542 0.338 1.00 0.00 C ATOM 971 O PHE A 62 4.801 -34.765 0.188 1.00 0.00 O ATOM 972 CB PHE A 62 4.411 -32.001 -1.598 1.00 0.00 C ATOM 973 CG PHE A 62 3.441 -31.633 -2.684 1.00 0.00 C ATOM 974 CD1 PHE A 62 2.337 -30.841 -2.407 1.00 0.00 C ATOM 975 CD2 PHE A 62 3.630 -32.078 -3.982 1.00 0.00 C ATOM 976 CE1 PHE A 62 1.442 -30.501 -3.403 1.00 0.00 C ATOM 977 CE2 PHE A 62 2.739 -31.741 -4.984 1.00 0.00 C ATOM 978 CZ PHE A 62 1.645 -30.950 -4.694 1.00 0.00 C ATOM 0 H PHE A 62 3.399 -30.721 0.255 1.00 0.00 H new ATOM 0 HA PHE A 62 2.947 -33.329 -0.748 1.00 0.00 H new ATOM 0 HB2 PHE A 62 4.923 -31.101 -1.259 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.171 -32.664 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.175 -30.486 -1.400 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.484 -32.696 -4.214 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.585 -29.885 -3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.898 -32.096 -5.992 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.949 -30.683 -5.475 1.00 0.00 H new ATOM 988 N LYS A 63 5.621 -32.895 1.133 1.00 0.00 N ATOM 989 CA LYS A 63 6.648 -33.598 1.893 1.00 0.00 C ATOM 990 C LYS A 63 6.021 -34.489 2.960 1.00 0.00 C ATOM 991 O LYS A 63 6.399 -35.650 3.114 1.00 0.00 O ATOM 992 CB LYS A 63 7.603 -32.597 2.547 1.00 0.00 C ATOM 993 CG LYS A 63 8.627 -32.016 1.586 1.00 0.00 C ATOM 994 CD LYS A 63 9.925 -32.808 1.609 1.00 0.00 C ATOM 995 CE LYS A 63 10.908 -32.295 0.568 1.00 0.00 C ATOM 996 NZ LYS A 63 11.726 -31.164 1.087 1.00 0.00 N ATOM 0 H LYS A 63 5.615 -31.884 1.268 1.00 0.00 H new ATOM 0 HA LYS A 63 7.208 -34.228 1.202 1.00 0.00 H new ATOM 0 HB2 LYS A 63 7.022 -31.783 2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.125 -33.089 3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.219 -32.014 0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.828 -30.978 1.851 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.375 -32.743 2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.713 -33.861 1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.566 -33.107 0.259 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.362 -31.972 -0.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.383 -30.843 0.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.100 -30.379 1.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.267 -31.479 1.918 1.00 0.00 H new ATOM 1010 N SER A 64 5.061 -33.939 3.695 1.00 0.00 N ATOM 1011 CA SER A 64 4.382 -34.683 4.750 1.00 0.00 C ATOM 1012 C SER A 64 3.652 -35.894 4.176 1.00 0.00 C ATOM 1013 O SER A 64 3.674 -36.980 4.757 1.00 0.00 O ATOM 1014 CB SER A 64 3.392 -33.779 5.486 1.00 0.00 C ATOM 1015 OG SER A 64 2.615 -34.520 6.412 1.00 0.00 O ATOM 0 H SER A 64 4.735 -32.979 3.580 1.00 0.00 H new ATOM 0 HA SER A 64 5.135 -35.034 5.455 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.934 -32.991 6.010 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.736 -33.290 4.766 1.00 0.00 H new ATOM 0 HG SER A 64 1.991 -33.919 6.870 1.00 0.00 H new ATOM 1021 N LYS A 65 3.005 -35.699 3.032 1.00 0.00 N ATOM 1022 CA LYS A 65 2.269 -36.774 2.377 1.00 0.00 C ATOM 1023 C LYS A 65 3.218 -37.852 1.867 1.00 0.00 C ATOM 1024 O LYS A 65 2.985 -39.045 2.068 1.00 0.00 O ATOM 1025 CB LYS A 65 1.440 -36.218 1.216 1.00 0.00 C ATOM 1026 CG LYS A 65 0.471 -37.226 0.624 1.00 0.00 C ATOM 1027 CD LYS A 65 -0.865 -36.584 0.287 1.00 0.00 C ATOM 1028 CE LYS A 65 -1.805 -37.572 -0.385 1.00 0.00 C ATOM 1029 NZ LYS A 65 -2.406 -37.011 -1.627 1.00 0.00 N ATOM 0 H LYS A 65 2.975 -34.806 2.539 1.00 0.00 H new ATOM 0 HA LYS A 65 1.600 -37.223 3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.881 -35.349 1.563 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.114 -35.871 0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.903 -37.662 -0.276 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.316 -38.041 1.331 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -1.327 -36.203 1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.704 -35.729 -0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.260 -38.485 -0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.598 -37.848 0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.040 -37.716 -2.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.947 -36.154 -1.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.651 -36.771 -2.301 1.00 0.00 H new ATOM 1043 N LEU A 66 4.291 -37.427 1.209 1.00 0.00 N ATOM 1044 CA LEU A 66 5.277 -38.356 0.671 1.00 0.00 C ATOM 1045 C LEU A 66 5.911 -39.183 1.785 1.00 0.00 C ATOM 1046 O LEU A 66 6.055 -40.400 1.666 1.00 0.00 O ATOM 1047 CB LEU A 66 6.362 -37.595 -0.093 1.00 0.00 C ATOM 1048 CG LEU A 66 6.341 -37.744 -1.616 1.00 0.00 C ATOM 1049 CD1 LEU A 66 6.594 -39.189 -2.014 1.00 0.00 C ATOM 1050 CD2 LEU A 66 5.013 -37.258 -2.180 1.00 0.00 C ATOM 0 H LEU A 66 4.500 -36.444 1.035 1.00 0.00 H new ATOM 0 HA LEU A 66 4.765 -39.032 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.274 -36.536 0.150 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.335 -37.926 0.271 1.00 0.00 H new ATOM 0 HG LEU A 66 7.138 -37.129 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.575 -39.276 -3.100 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.569 -39.504 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.819 -39.825 -1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.015 -37.371 -3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.200 -37.847 -1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.872 -36.208 -1.925 1.00 0.00 H new ATOM 1062 N LYS A 67 6.286 -38.514 2.871 1.00 0.00 N ATOM 1063 CA LYS A 67 6.901 -39.187 4.009 1.00 0.00 C ATOM 1064 C LYS A 67 5.891 -40.078 4.725 1.00 0.00 C ATOM 1065 O LYS A 67 6.216 -41.188 5.148 1.00 0.00 O ATOM 1066 CB LYS A 67 7.472 -38.157 4.988 1.00 0.00 C ATOM 1067 CG LYS A 67 8.916 -38.423 5.375 1.00 0.00 C ATOM 1068 CD LYS A 67 9.243 -37.841 6.740 1.00 0.00 C ATOM 1069 CE LYS A 67 8.739 -38.735 7.862 1.00 0.00 C ATOM 1070 NZ LYS A 67 9.820 -39.071 8.831 1.00 0.00 N ATOM 0 H LYS A 67 6.175 -37.507 2.987 1.00 0.00 H new ATOM 0 HA LYS A 67 7.711 -39.813 3.635 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.401 -37.165 4.542 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.859 -38.146 5.889 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.100 -39.497 5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.580 -37.992 4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.321 -37.712 6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.794 -36.852 6.832 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.924 -38.236 8.386 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.331 -39.653 7.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.437 -39.682 9.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.587 -39.570 8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.192 -38.196 9.253 1.00 0.00 H new ATOM 1084 N LYS A 68 4.663 -39.586 4.858 1.00 0.00 N ATOM 1085 CA LYS A 68 3.605 -40.338 5.519 1.00 0.00 C ATOM 1086 C LYS A 68 3.353 -41.665 4.809 1.00 0.00 C ATOM 1087 O LYS A 68 3.253 -42.712 5.447 1.00 0.00 O ATOM 1088 CB LYS A 68 2.314 -39.517 5.557 1.00 0.00 C ATOM 1089 CG LYS A 68 2.214 -38.598 6.762 1.00 0.00 C ATOM 1090 CD LYS A 68 1.201 -39.111 7.773 1.00 0.00 C ATOM 1091 CE LYS A 68 -0.223 -38.939 7.269 1.00 0.00 C ATOM 1092 NZ LYS A 68 -0.624 -37.506 7.213 1.00 0.00 N ATOM 0 H LYS A 68 4.377 -38.669 4.516 1.00 0.00 H new ATOM 0 HA LYS A 68 3.927 -40.547 6.539 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.246 -38.919 4.648 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.461 -40.196 5.556 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.191 -38.512 7.237 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.929 -37.598 6.435 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.391 -40.165 7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.322 -38.576 8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.312 -39.380 6.276 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.907 -39.482 7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.659 -37.438 7.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.313 -37.024 8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.181 -37.054 6.388 1.00 0.00 H new ATOM 1106 N ALA A 69 3.256 -41.613 3.484 1.00 0.00 N ATOM 1107 CA ALA A 69 3.021 -42.811 2.688 1.00 0.00 C ATOM 1108 C ALA A 69 4.169 -43.804 2.838 1.00 0.00 C ATOM 1109 O ALA A 69 3.947 -44.999 3.033 1.00 0.00 O ATOM 1110 CB ALA A 69 2.827 -42.442 1.225 1.00 0.00 C ATOM 0 H ALA A 69 3.337 -40.754 2.940 1.00 0.00 H new ATOM 0 HA ALA A 69 2.112 -43.289 3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.652 -43.346 0.642 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.969 -41.776 1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.720 -41.939 0.855 1.00 0.00 H new