USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=7 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 Set 1.1: A 48 THR OG1 : rot -74:sc= 0.75 USER MOD Set 1.2: A 49 ASN : amide:sc= -0.52 K(o=0.23,f=-0.67) USER MOD Set 2.1: A 43 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 47 LYS NZ :NH3+ 160:sc= -0.0142 (180deg=-0.152) USER MOD Set 3.1: A 11 ASN : amide:sc= -1.78! K(o=-3.8!,f=0.71) USER MOD Set 3.2: A 14 ASN : amide:sc= -2.05! C(o=-3.8!,f=-1.6!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= -0.136 (180deg=-0.179) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0349 X(o=-0.035,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= -0.228 K(o=-0.23,f=-2.1!) 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 53 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.93) USER MOD Single : A 55 THR OG1 : rot 80:sc= 1.08 USER MOD Single : A 56 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.014) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 91:sc= 0.493 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+ 157:sc= 0.547 (180deg=-0.012) USER MOD ----------------------------------------------------------------- ATOM 139 N ASN A 11 6.461 42.683 -6.930 1.00 0.00 N ATOM 140 CA ASN A 11 7.127 41.399 -6.745 1.00 0.00 C ATOM 141 C ASN A 11 6.229 40.423 -5.991 1.00 0.00 C ATOM 142 O ASN A 11 6.616 39.285 -5.728 1.00 0.00 O ATOM 143 CB ASN A 11 8.442 41.589 -5.987 1.00 0.00 C ATOM 144 CG ASN A 11 9.612 41.853 -6.915 1.00 0.00 C ATOM 145 OD1 ASN A 11 9.847 42.989 -7.328 1.00 0.00 O ATOM 146 ND2 ASN A 11 10.352 40.801 -7.248 1.00 0.00 N ATOM 0 HA ASN A 11 7.339 40.982 -7.730 1.00 0.00 H new ATOM 0 HB2 ASN A 11 8.340 42.421 -5.290 1.00 0.00 H new ATOM 0 HB3 ASN A 11 8.647 40.699 -5.392 1.00 0.00 H new ATOM 0 HD21 ASN A 11 11.152 40.917 -7.870 1.00 0.00 H new ATOM 0 HD22 ASN A 11 10.120 39.878 -6.882 1.00 0.00 H new ATOM 153 N GLN A 12 5.028 40.876 -5.648 1.00 0.00 N ATOM 154 CA GLN A 12 4.076 40.043 -4.924 1.00 0.00 C ATOM 155 C GLN A 12 3.828 38.732 -5.663 1.00 0.00 C ATOM 156 O GLN A 12 3.819 37.660 -5.060 1.00 0.00 O ATOM 157 CB GLN A 12 2.755 40.791 -4.733 1.00 0.00 C ATOM 158 CG GLN A 12 1.697 39.978 -4.003 1.00 0.00 C ATOM 159 CD GLN A 12 0.452 40.787 -3.691 1.00 0.00 C ATOM 160 OE1 GLN A 12 0.182 41.112 -2.535 1.00 0.00 O ATOM 161 NE2 GLN A 12 -0.313 41.117 -4.725 1.00 0.00 N ATOM 0 H GLN A 12 4.691 41.815 -5.860 1.00 0.00 H new ATOM 0 HA GLN A 12 4.501 39.814 -3.947 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.944 41.709 -4.177 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.368 41.083 -5.709 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.423 39.116 -4.611 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.117 39.592 -3.074 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.051 40.826 -5.667 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.163 41.661 -4.577 1.00 0.00 H new ATOM 170 N VAL A 13 3.627 38.826 -6.974 1.00 0.00 N ATOM 171 CA VAL A 13 3.380 37.648 -7.796 1.00 0.00 C ATOM 172 C VAL A 13 4.632 36.785 -7.910 1.00 0.00 C ATOM 173 O VAL A 13 4.548 35.561 -8.007 1.00 0.00 O ATOM 174 CB VAL A 13 2.909 38.038 -9.210 1.00 0.00 C ATOM 175 CG1 VAL A 13 2.511 36.802 -10.001 1.00 0.00 C ATOM 176 CG2 VAL A 13 1.756 39.027 -9.133 1.00 0.00 C ATOM 0 H VAL A 13 3.631 39.706 -7.489 1.00 0.00 H new ATOM 0 HA VAL A 13 2.592 37.078 -7.303 1.00 0.00 H new ATOM 0 HB VAL A 13 3.737 38.520 -9.730 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.181 37.098 -10.997 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.367 36.133 -10.086 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.699 36.288 -9.488 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.436 39.292 -10.141 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.923 38.574 -8.595 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.081 39.925 -8.608 1.00 0.00 H new ATOM 186 N ASN A 14 5.793 37.431 -7.896 1.00 0.00 N ATOM 187 CA ASN A 14 7.064 36.723 -7.997 1.00 0.00 C ATOM 188 C ASN A 14 7.261 35.786 -6.809 1.00 0.00 C ATOM 189 O ASN A 14 7.393 34.574 -6.977 1.00 0.00 O ATOM 190 CB ASN A 14 8.222 37.719 -8.073 1.00 0.00 C ATOM 191 CG ASN A 14 8.379 38.320 -9.456 1.00 0.00 C ATOM 192 OD1 ASN A 14 7.662 37.955 -10.389 1.00 0.00 O ATOM 193 ND2 ASN A 14 9.321 39.245 -9.596 1.00 0.00 N ATOM 0 H ASN A 14 5.880 38.444 -7.816 1.00 0.00 H new ATOM 0 HA ASN A 14 7.047 36.126 -8.909 1.00 0.00 H new ATOM 0 HB2 ASN A 14 8.059 38.518 -7.349 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.148 37.218 -7.791 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.474 39.684 -10.504 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.892 39.517 -8.796 1.00 0.00 H new ATOM 200 N ASP A 15 7.277 36.357 -5.610 1.00 0.00 N ATOM 201 CA ASP A 15 7.457 35.574 -4.393 1.00 0.00 C ATOM 202 C ASP A 15 6.298 34.601 -4.197 1.00 0.00 C ATOM 203 O ASP A 15 6.501 33.444 -3.830 1.00 0.00 O ATOM 204 CB ASP A 15 7.573 36.497 -3.179 1.00 0.00 C ATOM 205 CG ASP A 15 6.287 37.246 -2.895 1.00 0.00 C ATOM 206 OD1 ASP A 15 5.395 36.668 -2.240 1.00 0.00 O ATOM 207 OD2 ASP A 15 6.170 38.412 -3.331 1.00 0.00 O ATOM 0 H ASP A 15 7.168 37.359 -5.455 1.00 0.00 H new ATOM 0 HA ASP A 15 8.378 35.000 -4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.848 35.908 -2.304 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.377 37.213 -3.347 1.00 0.00 H new ATOM 212 N GLU A 16 5.082 35.079 -4.445 1.00 0.00 N ATOM 213 CA GLU A 16 3.891 34.251 -4.294 1.00 0.00 C ATOM 214 C GLU A 16 4.009 32.972 -5.120 1.00 0.00 C ATOM 215 O GLU A 16 3.753 31.874 -4.624 1.00 0.00 O ATOM 216 CB GLU A 16 2.645 35.031 -4.717 1.00 0.00 C ATOM 217 CG GLU A 16 1.385 34.182 -4.775 1.00 0.00 C ATOM 218 CD GLU A 16 0.182 34.879 -4.171 1.00 0.00 C ATOM 219 OE1 GLU A 16 0.279 35.336 -3.013 1.00 0.00 O ATOM 220 OE2 GLU A 16 -0.857 34.969 -4.858 1.00 0.00 O ATOM 0 H GLU A 16 4.896 36.034 -4.751 1.00 0.00 H new ATOM 0 HA GLU A 16 3.800 33.977 -3.243 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.487 35.853 -4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.820 35.474 -5.697 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.170 33.929 -5.813 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.559 33.244 -4.248 1.00 0.00 H new ATOM 227 N LEU A 17 4.397 33.124 -6.381 1.00 0.00 N ATOM 228 CA LEU A 17 4.548 31.983 -7.277 1.00 0.00 C ATOM 229 C LEU A 17 5.741 31.124 -6.868 1.00 0.00 C ATOM 230 O LEU A 17 5.717 29.902 -7.012 1.00 0.00 O ATOM 231 CB LEU A 17 4.722 32.462 -8.719 1.00 0.00 C ATOM 232 CG LEU A 17 3.449 32.514 -9.567 1.00 0.00 C ATOM 233 CD1 LEU A 17 2.443 33.477 -8.959 1.00 0.00 C ATOM 234 CD2 LEU A 17 3.778 32.915 -10.998 1.00 0.00 C ATOM 0 H LEU A 17 4.613 34.026 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 17 3.645 31.376 -7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.162 33.459 -8.699 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.438 31.807 -9.215 1.00 0.00 H new ATOM 0 HG LEU A 17 3.004 31.519 -9.583 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.544 33.501 -9.575 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.185 33.146 -7.953 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.878 34.475 -8.912 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.861 32.947 -11.587 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.246 33.899 -11.002 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.463 32.186 -11.432 1.00 0.00 H new ATOM 246 N ASN A 18 6.781 31.771 -6.353 1.00 0.00 N ATOM 247 CA ASN A 18 7.983 31.066 -5.922 1.00 0.00 C ATOM 248 C ASN A 18 7.649 30.025 -4.857 1.00 0.00 C ATOM 249 O ASN A 18 7.893 28.832 -5.041 1.00 0.00 O ATOM 250 CB ASN A 18 9.013 32.057 -5.375 1.00 0.00 C ATOM 251 CG ASN A 18 10.340 31.972 -6.105 1.00 0.00 C ATOM 252 OD1 ASN A 18 11.210 31.180 -5.743 1.00 0.00 O ATOM 253 ND2 ASN A 18 10.499 32.790 -7.139 1.00 0.00 N ATOM 0 H ASN A 18 6.816 32.782 -6.224 1.00 0.00 H new ATOM 0 HA ASN A 18 8.404 30.555 -6.788 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.619 33.070 -5.459 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.172 31.864 -4.314 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.370 32.778 -7.669 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.750 33.430 -7.403 1.00 0.00 H new ATOM 260 N LYS A 19 7.088 30.484 -3.744 1.00 0.00 N ATOM 261 CA LYS A 19 6.718 29.594 -2.650 1.00 0.00 C ATOM 262 C LYS A 19 5.592 28.655 -3.070 1.00 0.00 C ATOM 263 O LYS A 19 5.667 27.446 -2.852 1.00 0.00 O ATOM 264 CB LYS A 19 6.288 30.408 -1.427 1.00 0.00 C ATOM 265 CG LYS A 19 7.301 31.460 -1.010 1.00 0.00 C ATOM 266 CD LYS A 19 6.638 32.807 -0.771 1.00 0.00 C ATOM 267 CE LYS A 19 7.669 33.907 -0.568 1.00 0.00 C ATOM 268 NZ LYS A 19 7.049 35.161 -0.058 1.00 0.00 N ATOM 0 H LYS A 19 6.879 31.468 -3.575 1.00 0.00 H new ATOM 0 HA LYS A 19 7.590 28.994 -2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.337 30.896 -1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.116 29.729 -0.591 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.810 31.137 -0.102 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.063 31.560 -1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.001 33.056 -1.620 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.992 32.746 0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.430 33.566 0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.174 34.110 -1.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.794 35.852 0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.416 35.555 -0.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.503 34.953 0.802 1.00 0.00 H new ATOM 282 N MET A 20 4.552 29.219 -3.674 1.00 0.00 N ATOM 283 CA MET A 20 3.411 28.430 -4.127 1.00 0.00 C ATOM 284 C MET A 20 3.867 27.269 -5.004 1.00 0.00 C ATOM 285 O MET A 20 3.521 26.116 -4.752 1.00 0.00 O ATOM 286 CB MET A 20 2.427 29.312 -4.898 1.00 0.00 C ATOM 287 CG MET A 20 1.139 28.599 -5.274 1.00 0.00 C ATOM 288 SD MET A 20 0.092 28.257 -3.847 1.00 0.00 S ATOM 289 CE MET A 20 -1.417 29.096 -4.323 1.00 0.00 C ATOM 0 H MET A 20 4.475 30.219 -3.861 1.00 0.00 H new ATOM 0 HA MET A 20 2.911 28.023 -3.248 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.186 30.187 -4.294 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.910 29.674 -5.805 1.00 0.00 H new ATOM 0 HG2 MET A 20 0.586 29.209 -5.988 1.00 0.00 H new ATOM 0 HG3 MET A 20 1.380 27.662 -5.776 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.164 28.975 -3.538 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.213 30.157 -4.469 1.00 0.00 H new ATOM 0 HE3 MET A 20 -1.794 28.668 -5.252 1.00 0.00 H new ATOM 299 N GLN A 21 4.646 27.582 -6.034 1.00 0.00 N ATOM 300 CA GLN A 21 5.149 26.564 -6.949 1.00 0.00 C ATOM 301 C GLN A 21 6.022 25.553 -6.213 1.00 0.00 C ATOM 302 O GLN A 21 5.889 24.346 -6.408 1.00 0.00 O ATOM 303 CB GLN A 21 5.946 27.214 -8.081 1.00 0.00 C ATOM 304 CG GLN A 21 5.082 27.971 -9.077 1.00 0.00 C ATOM 305 CD GLN A 21 4.767 27.156 -10.315 1.00 0.00 C ATOM 306 OE1 GLN A 21 3.614 26.797 -10.560 1.00 0.00 O ATOM 307 NE2 GLN A 21 5.792 26.856 -11.105 1.00 0.00 N ATOM 0 H GLN A 21 4.943 28.532 -6.256 1.00 0.00 H new ATOM 0 HA GLN A 21 4.293 26.038 -7.372 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.677 27.899 -7.652 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.505 26.442 -8.610 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.150 28.265 -8.594 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.592 28.888 -9.371 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.731 27.173 -10.865 1.00 0.00 H new ATOM 0 HE22 GLN A 21 5.640 26.308 -11.952 1.00 0.00 H new ATOM 316 N ALA A 22 6.914 26.055 -5.365 1.00 0.00 N ATOM 317 CA ALA A 22 7.807 25.197 -4.598 1.00 0.00 C ATOM 318 C ALA A 22 7.020 24.211 -3.741 1.00 0.00 C ATOM 319 O ALA A 22 7.321 23.018 -3.715 1.00 0.00 O ATOM 320 CB ALA A 22 8.730 26.037 -3.728 1.00 0.00 C ATOM 0 H ALA A 22 7.037 27.053 -5.192 1.00 0.00 H new ATOM 0 HA ALA A 22 8.412 24.624 -5.301 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.391 25.382 -3.161 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.326 26.695 -4.360 1.00 0.00 H new ATOM 0 HB3 ALA A 22 8.135 26.636 -3.039 1.00 0.00 H new ATOM 326 N PHE A 23 6.012 24.718 -3.040 1.00 0.00 N ATOM 327 CA PHE A 23 5.182 23.884 -2.180 1.00 0.00 C ATOM 328 C PHE A 23 4.463 22.811 -2.993 1.00 0.00 C ATOM 329 O PHE A 23 4.433 21.642 -2.607 1.00 0.00 O ATOM 330 CB PHE A 23 4.160 24.742 -1.431 1.00 0.00 C ATOM 331 CG PHE A 23 4.529 24.999 0.001 1.00 0.00 C ATOM 332 CD1 PHE A 23 5.461 25.971 0.327 1.00 0.00 C ATOM 333 CD2 PHE A 23 3.943 24.270 1.024 1.00 0.00 C ATOM 334 CE1 PHE A 23 5.803 26.209 1.645 1.00 0.00 C ATOM 335 CE2 PHE A 23 4.280 24.504 2.343 1.00 0.00 C ATOM 336 CZ PHE A 23 5.210 25.476 2.655 1.00 0.00 C ATOM 0 H PHE A 23 5.750 25.704 -3.051 1.00 0.00 H new ATOM 0 HA PHE A 23 5.833 23.393 -1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.051 25.696 -1.947 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.189 24.248 -1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.926 26.549 -0.458 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.214 23.509 0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.533 26.968 1.885 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.816 23.927 3.130 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.473 25.663 3.686 1.00 0.00 H new ATOM 346 N ILE A 24 3.887 23.217 -4.119 1.00 0.00 N ATOM 347 CA ILE A 24 3.169 22.292 -4.986 1.00 0.00 C ATOM 348 C ILE A 24 4.119 21.281 -5.618 1.00 0.00 C ATOM 349 O ILE A 24 3.733 20.150 -5.913 1.00 0.00 O ATOM 350 CB ILE A 24 2.415 23.038 -6.103 1.00 0.00 C ATOM 351 CG1 ILE A 24 1.420 24.032 -5.501 1.00 0.00 C ATOM 352 CG2 ILE A 24 1.699 22.047 -7.011 1.00 0.00 C ATOM 353 CD1 ILE A 24 0.987 25.112 -6.467 1.00 0.00 C ATOM 0 H ILE A 24 3.904 24.181 -4.452 1.00 0.00 H new ATOM 0 HA ILE A 24 2.448 21.767 -4.359 1.00 0.00 H new ATOM 0 HB ILE A 24 3.137 23.594 -6.701 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.540 23.489 -5.157 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.870 24.499 -4.625 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.171 22.589 -7.796 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.428 21.374 -7.462 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.985 21.468 -6.426 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.282 25.781 -5.973 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.859 25.680 -6.792 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.508 24.655 -7.333 1.00 0.00 H new ATOM 365 N ARG A 25 5.366 21.695 -5.820 1.00 0.00 N ATOM 366 CA ARG A 25 6.374 20.825 -6.417 1.00 0.00 C ATOM 367 C ARG A 25 6.749 19.696 -5.462 1.00 0.00 C ATOM 368 O ARG A 25 6.783 18.527 -5.849 1.00 0.00 O ATOM 369 CB ARG A 25 7.620 21.631 -6.785 1.00 0.00 C ATOM 370 CG ARG A 25 8.819 20.768 -7.144 1.00 0.00 C ATOM 371 CD ARG A 25 9.501 21.262 -8.411 1.00 0.00 C ATOM 372 NE ARG A 25 10.143 20.175 -9.146 1.00 0.00 N ATOM 373 CZ ARG A 25 11.023 20.366 -10.121 1.00 0.00 C ATOM 374 NH1 ARG A 25 11.364 21.597 -10.478 1.00 0.00 N ATOM 375 NH2 ARG A 25 11.565 19.326 -10.742 1.00 0.00 N ATOM 0 H ARG A 25 5.703 22.627 -5.579 1.00 0.00 H new ATOM 0 HA ARG A 25 5.952 20.388 -7.322 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.386 22.282 -7.628 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.885 22.277 -5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 25 9.532 20.773 -6.320 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.498 19.736 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.766 21.749 -9.052 1.00 0.00 H new ATOM 0 HD3 ARG A 25 10.246 22.014 -8.152 1.00 0.00 H new ATOM 0 HE ARG A 25 9.902 19.216 -8.896 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.950 22.399 -10.003 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.041 21.742 -11.228 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.305 18.378 -10.470 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.241 19.475 -11.491 1.00 0.00 H new ATOM 389 N LYS A 26 7.031 20.052 -4.213 1.00 0.00 N ATOM 390 CA LYS A 26 7.404 19.069 -3.202 1.00 0.00 C ATOM 391 C LYS A 26 6.211 18.194 -2.828 1.00 0.00 C ATOM 392 O LYS A 26 6.360 16.997 -2.589 1.00 0.00 O ATOM 393 CB LYS A 26 7.947 19.770 -1.956 1.00 0.00 C ATOM 394 CG LYS A 26 9.210 19.134 -1.401 1.00 0.00 C ATOM 395 CD LYS A 26 9.048 18.758 0.062 1.00 0.00 C ATOM 396 CE LYS A 26 8.773 17.272 0.229 1.00 0.00 C ATOM 397 NZ LYS A 26 7.738 17.012 1.266 1.00 0.00 N ATOM 0 H LYS A 26 7.008 21.015 -3.876 1.00 0.00 H new ATOM 0 HA LYS A 26 8.183 18.431 -3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.151 20.813 -2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.178 19.766 -1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.456 18.245 -1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.045 19.826 -1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.952 19.025 0.610 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.230 19.332 0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.446 16.854 -0.723 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.696 16.760 0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.580 15.988 1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.061 17.388 2.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.849 17.479 0.994 1.00 0.00 H new ATOM 411 N GLU A 27 5.030 18.801 -2.781 1.00 0.00 N ATOM 412 CA GLU A 27 3.813 18.076 -2.437 1.00 0.00 C ATOM 413 C GLU A 27 3.467 17.051 -3.512 1.00 0.00 C ATOM 414 O GLU A 27 3.172 15.896 -3.211 1.00 0.00 O ATOM 415 CB GLU A 27 2.647 19.051 -2.251 1.00 0.00 C ATOM 416 CG GLU A 27 1.453 18.442 -1.536 1.00 0.00 C ATOM 417 CD GLU A 27 0.629 19.477 -0.794 1.00 0.00 C ATOM 418 OE1 GLU A 27 1.131 20.025 0.210 1.00 0.00 O ATOM 419 OE2 GLU A 27 -0.517 19.737 -1.216 1.00 0.00 O ATOM 0 H GLU A 27 4.890 19.792 -2.977 1.00 0.00 H new ATOM 0 HA GLU A 27 3.989 17.548 -1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.995 19.917 -1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.328 19.414 -3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.820 17.932 -2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.802 17.687 -0.831 1.00 0.00 H new ATOM 426 N ALA A 28 3.505 17.484 -4.768 1.00 0.00 N ATOM 427 CA ALA A 28 3.198 16.605 -5.890 1.00 0.00 C ATOM 428 C ALA A 28 4.242 15.502 -6.025 1.00 0.00 C ATOM 429 O ALA A 28 3.902 14.332 -6.194 1.00 0.00 O ATOM 430 CB ALA A 28 3.105 17.407 -7.179 1.00 0.00 C ATOM 0 H ALA A 28 3.746 18.439 -5.034 1.00 0.00 H new ATOM 0 HA ALA A 28 2.234 16.135 -5.698 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.875 16.738 -8.008 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.317 18.154 -7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.056 17.905 -7.367 1.00 0.00 H new ATOM 436 N GLU A 29 5.513 15.884 -5.949 1.00 0.00 N ATOM 437 CA GLU A 29 6.606 14.927 -6.065 1.00 0.00 C ATOM 438 C GLU A 29 6.570 13.919 -4.919 1.00 0.00 C ATOM 439 O GLU A 29 6.706 12.715 -5.134 1.00 0.00 O ATOM 440 CB GLU A 29 7.952 15.654 -6.076 1.00 0.00 C ATOM 441 CG GLU A 29 9.099 14.805 -6.599 1.00 0.00 C ATOM 442 CD GLU A 29 9.201 14.829 -8.112 1.00 0.00 C ATOM 443 OE1 GLU A 29 8.146 14.778 -8.779 1.00 0.00 O ATOM 444 OE2 GLU A 29 10.336 14.897 -8.627 1.00 0.00 O ATOM 0 H GLU A 29 5.811 16.849 -5.808 1.00 0.00 H new ATOM 0 HA GLU A 29 6.485 14.388 -7.005 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.866 16.551 -6.690 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.186 15.982 -5.063 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.035 15.162 -6.170 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.967 13.776 -6.264 1.00 0.00 H new ATOM 451 N GLU A 30 6.387 14.422 -3.702 1.00 0.00 N ATOM 452 CA GLU A 30 6.335 13.566 -2.523 1.00 0.00 C ATOM 453 C GLU A 30 5.142 12.617 -2.592 1.00 0.00 C ATOM 454 O GLU A 30 5.251 11.438 -2.252 1.00 0.00 O ATOM 455 CB GLU A 30 6.252 14.415 -1.252 1.00 0.00 C ATOM 456 CG GLU A 30 6.149 13.594 0.022 1.00 0.00 C ATOM 457 CD GLU A 30 7.169 12.474 0.079 1.00 0.00 C ATOM 458 OE1 GLU A 30 8.376 12.774 0.200 1.00 0.00 O ATOM 459 OE2 GLU A 30 6.761 11.296 0.001 1.00 0.00 O ATOM 0 H GLU A 30 6.272 15.417 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 30 7.249 12.972 -2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.134 15.053 -1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.386 15.074 -1.321 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.285 14.248 0.883 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.147 13.172 0.098 1.00 0.00 H new ATOM 466 N LYS A 31 4.003 13.138 -3.035 1.00 0.00 N ATOM 467 CA LYS A 31 2.788 12.339 -3.149 1.00 0.00 C ATOM 468 C LYS A 31 2.966 11.224 -4.174 1.00 0.00 C ATOM 469 O LYS A 31 2.571 10.083 -3.940 1.00 0.00 O ATOM 470 CB LYS A 31 1.606 13.226 -3.545 1.00 0.00 C ATOM 471 CG LYS A 31 0.258 12.538 -3.410 1.00 0.00 C ATOM 472 CD LYS A 31 -0.889 13.509 -3.633 1.00 0.00 C ATOM 473 CE LYS A 31 -1.578 13.261 -4.967 1.00 0.00 C ATOM 474 NZ LYS A 31 -2.409 14.423 -5.387 1.00 0.00 N ATOM 0 H LYS A 31 3.896 14.111 -3.321 1.00 0.00 H new ATOM 0 HA LYS A 31 2.586 11.888 -2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.611 14.122 -2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.737 13.552 -4.577 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.191 11.723 -4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.173 12.095 -2.418 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.613 13.410 -2.824 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.513 14.532 -3.601 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -0.828 13.056 -5.731 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.206 12.374 -4.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.861 14.214 -6.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.141 14.603 -4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.805 15.264 -5.484 1.00 0.00 H new ATOM 488 N ALA A 32 3.566 11.562 -5.312 1.00 0.00 N ATOM 489 CA ALA A 32 3.799 10.588 -6.371 1.00 0.00 C ATOM 490 C ALA A 32 4.752 9.491 -5.908 1.00 0.00 C ATOM 491 O ALA A 32 4.501 8.305 -6.121 1.00 0.00 O ATOM 492 CB ALA A 32 4.349 11.278 -7.611 1.00 0.00 C ATOM 0 H ALA A 32 3.899 12.503 -5.523 1.00 0.00 H new ATOM 0 HA ALA A 32 2.845 10.123 -6.620 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.518 10.539 -8.394 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.633 12.021 -7.962 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.291 11.770 -7.366 1.00 0.00 H new ATOM 498 N LYS A 33 5.847 9.894 -5.273 1.00 0.00 N ATOM 499 CA LYS A 33 6.838 8.945 -4.779 1.00 0.00 C ATOM 500 C LYS A 33 6.267 8.105 -3.641 1.00 0.00 C ATOM 501 O LYS A 33 6.541 6.910 -3.544 1.00 0.00 O ATOM 502 CB LYS A 33 8.090 9.686 -4.302 1.00 0.00 C ATOM 503 CG LYS A 33 9.222 8.763 -3.885 1.00 0.00 C ATOM 504 CD LYS A 33 10.537 9.167 -4.532 1.00 0.00 C ATOM 505 CE LYS A 33 11.552 8.037 -4.482 1.00 0.00 C ATOM 506 NZ LYS A 33 12.737 8.317 -5.340 1.00 0.00 N ATOM 0 H LYS A 33 6.071 10.872 -5.088 1.00 0.00 H new ATOM 0 HA LYS A 33 7.107 8.279 -5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.441 10.340 -5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.825 10.325 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.328 8.782 -2.800 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.978 7.738 -4.163 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.361 9.454 -5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.940 10.043 -4.023 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.877 7.886 -3.453 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.080 7.110 -4.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.406 7.523 -5.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.431 8.436 -6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.203 9.188 -5.015 1.00 0.00 H new ATOM 520 N GLU A 34 5.472 8.739 -2.785 1.00 0.00 N ATOM 521 CA GLU A 34 4.862 8.047 -1.654 1.00 0.00 C ATOM 522 C GLU A 34 3.917 6.950 -2.134 1.00 0.00 C ATOM 523 O GLU A 34 3.970 5.817 -1.654 1.00 0.00 O ATOM 524 CB GLU A 34 4.103 9.039 -0.770 1.00 0.00 C ATOM 525 CG GLU A 34 3.491 8.406 0.468 1.00 0.00 C ATOM 526 CD GLU A 34 4.221 8.790 1.740 1.00 0.00 C ATOM 527 OE1 GLU A 34 5.216 8.117 2.078 1.00 0.00 O ATOM 528 OE2 GLU A 34 3.796 9.763 2.397 1.00 0.00 O ATOM 0 H GLU A 34 5.235 9.729 -2.852 1.00 0.00 H new ATOM 0 HA GLU A 34 5.659 7.587 -1.069 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.783 9.833 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.313 9.506 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.447 8.708 0.547 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.502 7.321 0.360 1.00 0.00 H new ATOM 535 N ILE A 35 3.053 7.295 -3.083 1.00 0.00 N ATOM 536 CA ILE A 35 2.096 6.340 -3.628 1.00 0.00 C ATOM 537 C ILE A 35 2.795 5.286 -4.479 1.00 0.00 C ATOM 538 O ILE A 35 2.378 4.128 -4.517 1.00 0.00 O ATOM 539 CB ILE A 35 1.022 7.042 -4.479 1.00 0.00 C ATOM 540 CG1 ILE A 35 0.278 8.085 -3.642 1.00 0.00 C ATOM 541 CG2 ILE A 35 0.048 6.022 -5.050 1.00 0.00 C ATOM 542 CD1 ILE A 35 -0.482 9.096 -4.473 1.00 0.00 C ATOM 0 H ILE A 35 2.996 8.228 -3.490 1.00 0.00 H new ATOM 0 HA ILE A 35 1.615 5.856 -2.778 1.00 0.00 H new ATOM 0 HB ILE A 35 1.513 7.551 -5.308 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.419 7.575 -2.977 1.00 0.00 H new ATOM 0 HG13 ILE A 35 0.994 8.611 -3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.705 6.534 -5.649 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.589 5.313 -5.676 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.439 5.488 -4.234 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -0.985 9.804 -3.814 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.213 9.632 -5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.222 8.581 -5.085 1.00 0.00 H new ATOM 554 N GLN A 36 3.860 5.695 -5.160 1.00 0.00 N ATOM 555 CA GLN A 36 4.619 4.785 -6.011 1.00 0.00 C ATOM 556 C GLN A 36 5.390 3.771 -5.172 1.00 0.00 C ATOM 557 O GLN A 36 5.365 2.572 -5.451 1.00 0.00 O ATOM 558 CB GLN A 36 5.584 5.570 -6.900 1.00 0.00 C ATOM 559 CG GLN A 36 4.978 6.000 -8.225 1.00 0.00 C ATOM 560 CD GLN A 36 6.016 6.155 -9.319 1.00 0.00 C ATOM 561 OE1 GLN A 36 7.114 5.603 -9.233 1.00 0.00 O ATOM 562 NE2 GLN A 36 5.676 6.909 -10.358 1.00 0.00 N ATOM 0 H GLN A 36 4.217 6.650 -5.140 1.00 0.00 H new ATOM 0 HA GLN A 36 3.914 4.245 -6.642 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.923 6.455 -6.361 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.465 4.958 -7.095 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.235 5.265 -8.536 1.00 0.00 H new ATOM 0 HG3 GLN A 36 4.454 6.946 -8.090 1.00 0.00 H new ATOM 0 HE21 GLN A 36 4.756 7.348 -10.390 1.00 0.00 H new ATOM 0 HE22 GLN A 36 6.335 7.049 -11.124 1.00 0.00 H new ATOM 571 N LEU A 37 6.075 4.261 -4.145 1.00 0.00 N ATOM 572 CA LEU A 37 6.855 3.398 -3.265 1.00 0.00 C ATOM 573 C LEU A 37 5.942 2.537 -2.397 1.00 0.00 C ATOM 574 O LEU A 37 6.266 1.391 -2.083 1.00 0.00 O ATOM 575 CB LEU A 37 7.776 4.238 -2.378 1.00 0.00 C ATOM 576 CG LEU A 37 7.134 4.849 -1.132 1.00 0.00 C ATOM 577 CD1 LEU A 37 7.225 3.887 0.042 1.00 0.00 C ATOM 578 CD2 LEU A 37 7.794 6.176 -0.788 1.00 0.00 C ATOM 0 H LEU A 37 6.106 5.251 -3.901 1.00 0.00 H new ATOM 0 HA LEU A 37 7.461 2.740 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.612 3.614 -2.062 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.191 5.045 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 37 6.081 5.034 -1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.763 4.339 0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.706 2.961 -0.205 1.00 0.00 H new ATOM 0 HD13 LEU A 37 8.272 3.670 0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 37 7.324 6.596 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.855 6.016 -0.597 1.00 0.00 H new ATOM 0 HD23 LEU A 37 7.676 6.868 -1.622 1.00 0.00 H new ATOM 590 N LYS A 38 4.798 3.095 -2.016 1.00 0.00 N ATOM 591 CA LYS A 38 3.836 2.378 -1.188 1.00 0.00 C ATOM 592 C LYS A 38 3.186 1.242 -1.970 1.00 0.00 C ATOM 593 O LYS A 38 3.094 0.115 -1.485 1.00 0.00 O ATOM 594 CB LYS A 38 2.761 3.338 -0.673 1.00 0.00 C ATOM 595 CG LYS A 38 3.183 4.118 0.560 1.00 0.00 C ATOM 596 CD LYS A 38 2.579 3.532 1.824 1.00 0.00 C ATOM 597 CE LYS A 38 1.082 3.789 1.898 1.00 0.00 C ATOM 598 NZ LYS A 38 0.388 2.783 2.749 1.00 0.00 N ATOM 0 H LYS A 38 4.514 4.042 -2.268 1.00 0.00 H new ATOM 0 HA LYS A 38 4.371 1.952 -0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.502 4.040 -1.466 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.859 2.771 -0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.270 4.114 0.640 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.875 5.158 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.767 2.459 1.854 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.067 3.966 2.697 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.904 4.787 2.298 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.660 3.768 0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.630 2.993 2.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.536 1.833 2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.773 2.820 3.714 1.00 0.00 H new ATOM 612 N ALA A 39 2.737 1.547 -3.183 1.00 0.00 N ATOM 613 CA ALA A 39 2.097 0.550 -4.034 1.00 0.00 C ATOM 614 C ALA A 39 3.087 -0.534 -4.449 1.00 0.00 C ATOM 615 O ALA A 39 2.780 -1.724 -4.389 1.00 0.00 O ATOM 616 CB ALA A 39 1.492 1.213 -5.262 1.00 0.00 C ATOM 0 H ALA A 39 2.804 2.476 -3.599 1.00 0.00 H new ATOM 0 HA ALA A 39 1.299 0.077 -3.461 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.018 0.457 -5.888 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.747 1.945 -4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 39 2.277 1.713 -5.829 1.00 0.00 H new ATOM 622 N ASP A 40 4.275 -0.113 -4.870 1.00 0.00 N ATOM 623 CA ASP A 40 5.311 -1.048 -5.295 1.00 0.00 C ATOM 624 C ASP A 40 5.743 -1.942 -4.138 1.00 0.00 C ATOM 625 O ASP A 40 5.917 -3.149 -4.306 1.00 0.00 O ATOM 626 CB ASP A 40 6.517 -0.288 -5.848 1.00 0.00 C ATOM 627 CG ASP A 40 7.471 -1.189 -6.607 1.00 0.00 C ATOM 628 OD1 ASP A 40 7.233 -1.425 -7.811 1.00 0.00 O ATOM 629 OD2 ASP A 40 8.456 -1.657 -5.999 1.00 0.00 O ATOM 0 H ASP A 40 4.544 0.869 -4.926 1.00 0.00 H new ATOM 0 HA ASP A 40 4.897 -1.679 -6.082 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.170 0.507 -6.508 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.050 0.190 -5.026 1.00 0.00 H new ATOM 634 N GLN A 41 5.916 -1.342 -2.965 1.00 0.00 N ATOM 635 CA GLN A 41 6.331 -2.085 -1.781 1.00 0.00 C ATOM 636 C GLN A 41 5.270 -3.106 -1.380 1.00 0.00 C ATOM 637 O GLN A 41 5.588 -4.251 -1.061 1.00 0.00 O ATOM 638 CB GLN A 41 6.598 -1.127 -0.619 1.00 0.00 C ATOM 639 CG GLN A 41 7.972 -0.479 -0.669 1.00 0.00 C ATOM 640 CD GLN A 41 9.021 -1.277 0.080 1.00 0.00 C ATOM 641 OE1 GLN A 41 8.991 -1.366 1.307 1.00 0.00 O ATOM 642 NE2 GLN A 41 9.957 -1.861 -0.658 1.00 0.00 N ATOM 0 H GLN A 41 5.775 -0.344 -2.809 1.00 0.00 H new ATOM 0 HA GLN A 41 7.251 -2.618 -2.021 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.837 -0.347 -0.620 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.496 -1.671 0.320 1.00 0.00 H new ATOM 0 HG2 GLN A 41 8.279 -0.368 -1.709 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.912 0.523 -0.245 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.943 -1.760 -1.673 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.690 -2.410 -0.210 1.00 0.00 H new ATOM 651 N GLU A 42 4.011 -2.681 -1.399 1.00 0.00 N ATOM 652 CA GLU A 42 2.904 -3.559 -1.036 1.00 0.00 C ATOM 653 C GLU A 42 2.743 -4.681 -2.057 1.00 0.00 C ATOM 654 O GLU A 42 2.380 -5.805 -1.709 1.00 0.00 O ATOM 655 CB GLU A 42 1.604 -2.761 -0.930 1.00 0.00 C ATOM 656 CG GLU A 42 0.456 -3.544 -0.314 1.00 0.00 C ATOM 657 CD GLU A 42 -0.361 -2.714 0.656 1.00 0.00 C ATOM 658 OE1 GLU A 42 -1.037 -1.767 0.202 1.00 0.00 O ATOM 659 OE2 GLU A 42 -0.327 -3.012 1.869 1.00 0.00 O ATOM 0 H GLU A 42 3.732 -1.736 -1.661 1.00 0.00 H new ATOM 0 HA GLU A 42 3.129 -4.003 -0.066 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.784 -1.867 -0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.311 -2.426 -1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.194 -3.913 -1.107 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.853 -4.416 0.205 1.00 0.00 H new ATOM 666 N TYR A 43 3.014 -4.368 -3.319 1.00 0.00 N ATOM 667 CA TYR A 43 2.896 -5.348 -4.393 1.00 0.00 C ATOM 668 C TYR A 43 3.997 -6.400 -4.293 1.00 0.00 C ATOM 669 O TYR A 43 3.759 -7.586 -4.521 1.00 0.00 O ATOM 670 CB TYR A 43 2.959 -4.654 -5.754 1.00 0.00 C ATOM 671 CG TYR A 43 2.112 -5.322 -6.814 1.00 0.00 C ATOM 672 CD1 TYR A 43 0.736 -5.439 -6.661 1.00 0.00 C ATOM 673 CD2 TYR A 43 2.689 -5.835 -7.970 1.00 0.00 C ATOM 674 CE1 TYR A 43 -0.041 -6.049 -7.626 1.00 0.00 C ATOM 675 CE2 TYR A 43 1.919 -6.446 -8.941 1.00 0.00 C ATOM 676 CZ TYR A 43 0.555 -6.550 -8.764 1.00 0.00 C ATOM 677 OH TYR A 43 -0.216 -7.157 -9.729 1.00 0.00 O ATOM 0 H TYR A 43 3.317 -3.443 -3.624 1.00 0.00 H new ATOM 0 HA TYR A 43 1.932 -5.847 -4.292 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.635 -3.620 -5.640 1.00 0.00 H new ATOM 0 HB3 TYR A 43 3.995 -4.628 -6.092 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.266 -5.046 -5.772 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.757 -5.755 -8.111 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.109 -6.133 -7.490 1.00 0.00 H new ATOM 0 HE2 TYR A 43 2.382 -6.840 -9.833 1.00 0.00 H new ATOM 0 HH TYR A 43 0.357 -7.454 -10.467 1.00 0.00 H new ATOM 687 N GLU A 44 5.202 -5.955 -3.951 1.00 0.00 N ATOM 688 CA GLU A 44 6.340 -6.858 -3.822 1.00 0.00 C ATOM 689 C GLU A 44 6.164 -7.786 -2.623 1.00 0.00 C ATOM 690 O GLU A 44 6.352 -8.998 -2.731 1.00 0.00 O ATOM 691 CB GLU A 44 7.638 -6.061 -3.677 1.00 0.00 C ATOM 692 CG GLU A 44 8.791 -6.624 -4.490 1.00 0.00 C ATOM 693 CD GLU A 44 10.045 -5.776 -4.389 1.00 0.00 C ATOM 694 OE1 GLU A 44 10.492 -5.511 -3.255 1.00 0.00 O ATOM 695 OE2 GLU A 44 10.577 -5.376 -5.446 1.00 0.00 O ATOM 0 H GLU A 44 5.415 -4.976 -3.759 1.00 0.00 H new ATOM 0 HA GLU A 44 6.394 -7.465 -4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.458 -5.030 -3.983 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.924 -6.036 -2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.012 -7.635 -4.148 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.491 -6.699 -5.535 1.00 0.00 H new ATOM 702 N ILE A 45 5.804 -7.208 -1.482 1.00 0.00 N ATOM 703 CA ILE A 45 5.602 -7.982 -0.264 1.00 0.00 C ATOM 704 C ILE A 45 4.407 -8.919 -0.399 1.00 0.00 C ATOM 705 O ILE A 45 4.446 -10.060 0.060 1.00 0.00 O ATOM 706 CB ILE A 45 5.388 -7.067 0.956 1.00 0.00 C ATOM 707 CG1 ILE A 45 6.617 -6.184 1.182 1.00 0.00 C ATOM 708 CG2 ILE A 45 5.090 -7.897 2.195 1.00 0.00 C ATOM 709 CD1 ILE A 45 7.859 -6.963 1.556 1.00 0.00 C ATOM 0 H ILE A 45 5.646 -6.206 -1.376 1.00 0.00 H new ATOM 0 HA ILE A 45 6.506 -8.571 -0.112 1.00 0.00 H new ATOM 0 HB ILE A 45 4.532 -6.421 0.761 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.816 -5.612 0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.398 -5.465 1.971 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.941 -7.236 3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.187 -8.486 2.030 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.927 -8.565 2.395 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.691 -6.274 1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.679 -7.514 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.103 -7.664 0.758 1.00 0.00 H new ATOM 721 N GLU A 46 3.347 -8.429 -1.034 1.00 0.00 N ATOM 722 CA GLU A 46 2.140 -9.224 -1.231 1.00 0.00 C ATOM 723 C GLU A 46 2.416 -10.414 -2.145 1.00 0.00 C ATOM 724 O GLU A 46 2.039 -11.546 -1.840 1.00 0.00 O ATOM 725 CB GLU A 46 1.025 -8.360 -1.823 1.00 0.00 C ATOM 726 CG GLU A 46 -0.250 -9.132 -2.121 1.00 0.00 C ATOM 727 CD GLU A 46 -1.483 -8.248 -2.110 1.00 0.00 C ATOM 728 OE1 GLU A 46 -1.723 -7.579 -1.083 1.00 0.00 O ATOM 729 OE2 GLU A 46 -2.206 -8.226 -3.127 1.00 0.00 O ATOM 0 H GLU A 46 3.299 -7.486 -1.421 1.00 0.00 H new ATOM 0 HA GLU A 46 1.821 -9.601 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.796 -7.551 -1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.384 -7.899 -2.743 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.160 -9.612 -3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -0.370 -9.926 -1.384 1.00 0.00 H new ATOM 736 N LYS A 47 3.077 -10.151 -3.267 1.00 0.00 N ATOM 737 CA LYS A 47 3.405 -11.199 -4.226 1.00 0.00 C ATOM 738 C LYS A 47 4.325 -12.243 -3.599 1.00 0.00 C ATOM 739 O LYS A 47 4.090 -13.445 -3.720 1.00 0.00 O ATOM 740 CB LYS A 47 4.072 -10.596 -5.464 1.00 0.00 C ATOM 741 CG LYS A 47 3.109 -10.348 -6.613 1.00 0.00 C ATOM 742 CD LYS A 47 3.512 -9.130 -7.426 1.00 0.00 C ATOM 743 CE LYS A 47 3.535 -9.434 -8.915 1.00 0.00 C ATOM 744 NZ LYS A 47 2.213 -9.919 -9.403 1.00 0.00 N ATOM 0 H LYS A 47 3.396 -9.220 -3.535 1.00 0.00 H new ATOM 0 HA LYS A 47 2.477 -11.688 -4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.546 -9.654 -5.189 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.864 -11.265 -5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.080 -11.225 -7.260 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.102 -10.208 -6.221 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.815 -8.315 -7.231 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.498 -8.790 -7.108 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.818 -8.536 -9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.296 -10.187 -9.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.157 -9.794 -10.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.105 -10.927 -9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.453 -9.375 -8.946 1.00 0.00 H new ATOM 758 N THR A 48 5.371 -11.774 -2.925 1.00 0.00 N ATOM 759 CA THR A 48 6.325 -12.666 -2.279 1.00 0.00 C ATOM 760 C THR A 48 5.667 -13.448 -1.148 1.00 0.00 C ATOM 761 O THR A 48 6.014 -14.600 -0.893 1.00 0.00 O ATOM 762 CB THR A 48 7.530 -11.888 -1.718 1.00 0.00 C ATOM 763 OG1 THR A 48 7.079 -10.865 -0.824 1.00 0.00 O ATOM 764 CG2 THR A 48 8.344 -11.265 -2.842 1.00 0.00 C ATOM 0 H THR A 48 5.578 -10.782 -2.813 1.00 0.00 H new ATOM 0 HA THR A 48 6.675 -13.362 -3.042 1.00 0.00 H new ATOM 0 HB THR A 48 8.166 -12.588 -1.177 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.684 -10.131 -1.339 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.189 -10.721 -2.421 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.711 -12.050 -3.504 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.716 -10.577 -3.408 1.00 0.00 H new ATOM 772 N ASN A 49 4.716 -12.814 -0.472 1.00 0.00 N ATOM 773 CA ASN A 49 4.009 -13.451 0.634 1.00 0.00 C ATOM 774 C ASN A 49 3.139 -14.599 0.133 1.00 0.00 C ATOM 775 O ASN A 49 3.163 -15.698 0.690 1.00 0.00 O ATOM 776 CB ASN A 49 3.144 -12.426 1.373 1.00 0.00 C ATOM 777 CG ASN A 49 3.929 -11.652 2.413 1.00 0.00 C ATOM 778 OD1 ASN A 49 5.143 -11.485 2.295 1.00 0.00 O ATOM 779 ND2 ASN A 49 3.237 -11.173 3.441 1.00 0.00 N ATOM 0 H ASN A 49 4.416 -11.859 -0.670 1.00 0.00 H new ATOM 0 HA ASN A 49 4.751 -13.854 1.323 1.00 0.00 H new ATOM 0 HB2 ASN A 49 2.715 -11.730 0.653 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.312 -12.938 1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.711 -10.643 4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 49 2.232 -11.335 3.499 1.00 0.00 H new ATOM 786 N ILE A 50 2.374 -14.340 -0.921 1.00 0.00 N ATOM 787 CA ILE A 50 1.498 -15.351 -1.499 1.00 0.00 C ATOM 788 C ILE A 50 2.304 -16.502 -2.091 1.00 0.00 C ATOM 789 O ILE A 50 1.981 -17.672 -1.885 1.00 0.00 O ATOM 790 CB ILE A 50 0.593 -14.756 -2.593 1.00 0.00 C ATOM 791 CG1 ILE A 50 -0.259 -13.620 -2.020 1.00 0.00 C ATOM 792 CG2 ILE A 50 -0.293 -15.836 -3.194 1.00 0.00 C ATOM 793 CD1 ILE A 50 -0.824 -12.697 -3.075 1.00 0.00 C ATOM 0 H ILE A 50 2.343 -13.436 -1.393 1.00 0.00 H new ATOM 0 HA ILE A 50 0.873 -15.726 -0.689 1.00 0.00 H new ATOM 0 HB ILE A 50 1.224 -14.350 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.081 -14.047 -1.445 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.346 -13.037 -1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.927 -15.399 -3.966 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.330 -16.615 -3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.918 -16.270 -2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.416 -11.917 -2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.007 -12.241 -3.635 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.457 -13.267 -3.756 1.00 0.00 H new ATOM 805 N VAL A 51 3.356 -16.162 -2.829 1.00 0.00 N ATOM 806 CA VAL A 51 4.212 -17.166 -3.449 1.00 0.00 C ATOM 807 C VAL A 51 4.949 -17.987 -2.396 1.00 0.00 C ATOM 808 O VAL A 51 5.014 -19.213 -2.486 1.00 0.00 O ATOM 809 CB VAL A 51 5.242 -16.519 -4.394 1.00 0.00 C ATOM 810 CG1 VAL A 51 6.142 -17.581 -5.009 1.00 0.00 C ATOM 811 CG2 VAL A 51 4.540 -15.712 -5.474 1.00 0.00 C ATOM 0 H VAL A 51 3.636 -15.198 -3.012 1.00 0.00 H new ATOM 0 HA VAL A 51 3.562 -17.823 -4.027 1.00 0.00 H new ATOM 0 HB VAL A 51 5.866 -15.839 -3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.863 -17.106 -5.674 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.672 -18.111 -4.218 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.536 -18.287 -5.576 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.283 -15.262 -6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.891 -16.368 -6.054 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.942 -14.927 -5.011 1.00 0.00 H new ATOM 821 N ARG A 52 5.501 -17.303 -1.400 1.00 0.00 N ATOM 822 CA ARG A 52 6.234 -17.968 -0.330 1.00 0.00 C ATOM 823 C ARG A 52 5.297 -18.817 0.524 1.00 0.00 C ATOM 824 O ARG A 52 5.646 -19.924 0.935 1.00 0.00 O ATOM 825 CB ARG A 52 6.948 -16.938 0.546 1.00 0.00 C ATOM 826 CG ARG A 52 7.924 -17.552 1.536 1.00 0.00 C ATOM 827 CD ARG A 52 9.236 -17.927 0.865 1.00 0.00 C ATOM 828 NE ARG A 52 10.327 -17.042 1.264 1.00 0.00 N ATOM 829 CZ ARG A 52 10.858 -17.033 2.483 1.00 0.00 C ATOM 830 NH1 ARG A 52 10.400 -17.857 3.414 1.00 0.00 N ATOM 831 NH2 ARG A 52 11.849 -16.199 2.769 1.00 0.00 N ATOM 0 H ARG A 52 5.455 -16.288 -1.312 1.00 0.00 H new ATOM 0 HA ARG A 52 6.977 -18.623 -0.785 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.485 -16.239 -0.095 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.203 -16.361 1.094 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.116 -16.846 2.344 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.478 -18.439 1.986 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.492 -18.956 1.119 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.114 -17.887 -0.217 1.00 0.00 H new ATOM 0 HE ARG A 52 10.702 -16.396 0.570 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.639 -18.500 3.196 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.809 -17.848 4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.204 -15.564 2.054 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.256 -16.192 3.704 1.00 0.00 H new ATOM 845 N ASN A 53 4.105 -18.290 0.789 1.00 0.00 N ATOM 846 CA ASN A 53 3.119 -18.999 1.596 1.00 0.00 C ATOM 847 C ASN A 53 2.666 -20.278 0.901 1.00 0.00 C ATOM 848 O ASN A 53 2.584 -21.338 1.522 1.00 0.00 O ATOM 849 CB ASN A 53 1.912 -18.098 1.870 1.00 0.00 C ATOM 850 CG ASN A 53 0.794 -18.831 2.585 1.00 0.00 C ATOM 851 OD1 ASN A 53 0.054 -19.604 1.977 1.00 0.00 O ATOM 852 ND2 ASN A 53 0.667 -18.592 3.885 1.00 0.00 N ATOM 0 H ASN A 53 3.799 -17.375 0.457 1.00 0.00 H new ATOM 0 HA ASN A 53 3.586 -19.268 2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.227 -17.246 2.472 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.537 -17.701 0.927 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.066 -19.057 4.420 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.303 -17.943 4.349 1.00 0.00 H new ATOM 859 N GLU A 54 2.372 -20.172 -0.391 1.00 0.00 N ATOM 860 CA GLU A 54 1.926 -21.322 -1.170 1.00 0.00 C ATOM 861 C GLU A 54 3.032 -22.369 -1.274 1.00 0.00 C ATOM 862 O GLU A 54 2.799 -23.558 -1.051 1.00 0.00 O ATOM 863 CB GLU A 54 1.494 -20.881 -2.570 1.00 0.00 C ATOM 864 CG GLU A 54 0.127 -21.403 -2.978 1.00 0.00 C ATOM 865 CD GLU A 54 -0.958 -20.350 -2.860 1.00 0.00 C ATOM 866 OE1 GLU A 54 -1.380 -20.056 -1.722 1.00 0.00 O ATOM 867 OE2 GLU A 54 -1.386 -19.821 -3.907 1.00 0.00 O ATOM 0 H GLU A 54 2.434 -19.302 -0.920 1.00 0.00 H new ATOM 0 HA GLU A 54 1.073 -21.767 -0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.485 -19.792 -2.612 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.234 -21.222 -3.294 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.171 -21.761 -4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.132 -22.258 -2.354 1.00 0.00 H new ATOM 874 N THR A 55 4.235 -21.920 -1.614 1.00 0.00 N ATOM 875 CA THR A 55 5.376 -22.817 -1.750 1.00 0.00 C ATOM 876 C THR A 55 5.728 -23.463 -0.414 1.00 0.00 C ATOM 877 O THR A 55 5.981 -24.665 -0.343 1.00 0.00 O ATOM 878 CB THR A 55 6.612 -22.075 -2.291 1.00 0.00 C ATOM 879 OG1 THR A 55 6.296 -21.438 -3.533 1.00 0.00 O ATOM 880 CG2 THR A 55 7.776 -23.036 -2.490 1.00 0.00 C ATOM 0 H THR A 55 4.445 -20.939 -1.801 1.00 0.00 H new ATOM 0 HA THR A 55 5.088 -23.592 -2.461 1.00 0.00 H new ATOM 0 HB THR A 55 6.904 -21.321 -1.560 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.819 -20.600 -3.359 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.638 -22.489 -2.873 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.033 -23.498 -1.537 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.491 -23.810 -3.203 1.00 0.00 H new ATOM 888 N ASN A 56 5.744 -22.656 0.642 1.00 0.00 N ATOM 889 CA ASN A 56 6.067 -23.150 1.975 1.00 0.00 C ATOM 890 C ASN A 56 4.952 -24.045 2.509 1.00 0.00 C ATOM 891 O ASN A 56 5.197 -24.951 3.304 1.00 0.00 O ATOM 892 CB ASN A 56 6.298 -21.979 2.933 1.00 0.00 C ATOM 893 CG ASN A 56 6.467 -22.432 4.371 1.00 0.00 C ATOM 894 OD1 ASN A 56 7.578 -22.722 4.815 1.00 0.00 O ATOM 895 ND2 ASN A 56 5.362 -22.496 5.105 1.00 0.00 N ATOM 0 H ASN A 56 5.537 -21.658 0.600 1.00 0.00 H new ATOM 0 HA ASN A 56 6.981 -23.740 1.905 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.186 -21.428 2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.456 -21.289 2.869 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.413 -22.795 6.079 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.462 -22.246 4.695 1.00 0.00 H new ATOM 902 N ASN A 57 3.728 -23.784 2.063 1.00 0.00 N ATOM 903 CA ASN A 57 2.575 -24.566 2.495 1.00 0.00 C ATOM 904 C ASN A 57 2.614 -25.969 1.896 1.00 0.00 C ATOM 905 O ASN A 57 2.482 -26.964 2.609 1.00 0.00 O ATOM 906 CB ASN A 57 1.276 -23.865 2.093 1.00 0.00 C ATOM 907 CG ASN A 57 0.046 -24.678 2.446 1.00 0.00 C ATOM 908 OD1 ASN A 57 -0.726 -25.068 1.569 1.00 0.00 O ATOM 909 ND2 ASN A 57 -0.142 -24.937 3.734 1.00 0.00 N ATOM 0 H ASN A 57 3.509 -23.038 1.403 1.00 0.00 H new ATOM 0 HA ASN A 57 2.613 -24.652 3.581 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.222 -22.896 2.588 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.286 -23.675 1.020 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.953 -25.480 4.032 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.524 -24.593 4.426 1.00 0.00 H new ATOM 916 N ILE A 58 2.797 -26.040 0.581 1.00 0.00 N ATOM 917 CA ILE A 58 2.856 -27.320 -0.114 1.00 0.00 C ATOM 918 C ILE A 58 4.101 -28.104 0.283 1.00 0.00 C ATOM 919 O ILE A 58 4.034 -29.304 0.548 1.00 0.00 O ATOM 920 CB ILE A 58 2.845 -27.131 -1.642 1.00 0.00 C ATOM 921 CG1 ILE A 58 1.608 -26.340 -2.072 1.00 0.00 C ATOM 922 CG2 ILE A 58 2.886 -28.482 -2.342 1.00 0.00 C ATOM 923 CD1 ILE A 58 1.668 -25.856 -3.504 1.00 0.00 C ATOM 0 H ILE A 58 2.907 -25.226 -0.024 1.00 0.00 H new ATOM 0 HA ILE A 58 1.969 -27.881 0.180 1.00 0.00 H new ATOM 0 HB ILE A 58 3.732 -26.566 -1.930 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.724 -26.966 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.488 -25.481 -1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.878 -28.333 -3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.794 -29.013 -2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.015 -29.070 -2.050 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.759 -25.303 -3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.532 -25.204 -3.632 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.757 -26.711 -4.174 1.00 0.00 H new ATOM 935 N ASP A 59 5.238 -27.418 0.321 1.00 0.00 N ATOM 936 CA ASP A 59 6.501 -28.049 0.687 1.00 0.00 C ATOM 937 C ASP A 59 6.498 -28.455 2.157 1.00 0.00 C ATOM 938 O ASP A 59 6.945 -29.546 2.511 1.00 0.00 O ATOM 939 CB ASP A 59 7.668 -27.101 0.410 1.00 0.00 C ATOM 940 CG ASP A 59 8.996 -27.665 0.877 1.00 0.00 C ATOM 941 OD1 ASP A 59 9.168 -28.901 0.820 1.00 0.00 O ATOM 942 OD2 ASP A 59 9.864 -26.871 1.298 1.00 0.00 O ATOM 0 H ASP A 59 5.311 -26.424 0.103 1.00 0.00 H new ATOM 0 HA ASP A 59 6.620 -28.947 0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.720 -26.896 -0.659 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.485 -26.149 0.909 1.00 0.00 H new ATOM 947 N GLY A 60 5.993 -27.570 3.011 1.00 0.00 N ATOM 948 CA GLY A 60 5.943 -27.855 4.433 1.00 0.00 C ATOM 949 C GLY A 60 4.936 -28.936 4.773 1.00 0.00 C ATOM 950 O GLY A 60 5.184 -29.774 5.639 1.00 0.00 O ATOM 0 H GLY A 60 5.617 -26.660 2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.931 -28.164 4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.690 -26.944 4.974 1.00 0.00 H new ATOM 954 N ASN A 61 3.797 -28.918 4.088 1.00 0.00 N ATOM 955 CA ASN A 61 2.748 -29.904 4.324 1.00 0.00 C ATOM 956 C ASN A 61 3.185 -31.287 3.850 1.00 0.00 C ATOM 957 O ASN A 61 3.027 -32.278 4.564 1.00 0.00 O ATOM 958 CB ASN A 61 1.461 -29.490 3.607 1.00 0.00 C ATOM 959 CG ASN A 61 0.277 -30.352 4.001 1.00 0.00 C ATOM 960 OD1 ASN A 61 -0.288 -30.192 5.083 1.00 0.00 O ATOM 961 ND2 ASN A 61 -0.102 -31.273 3.123 1.00 0.00 N ATOM 0 H ASN A 61 3.577 -28.232 3.366 1.00 0.00 H new ATOM 0 HA ASN A 61 2.561 -29.950 5.397 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.240 -28.447 3.836 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.612 -29.555 2.529 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.891 -31.884 3.333 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.396 -31.370 2.238 1.00 0.00 H new ATOM 968 N PHE A 62 3.735 -31.346 2.642 1.00 0.00 N ATOM 969 CA PHE A 62 4.195 -32.608 2.073 1.00 0.00 C ATOM 970 C PHE A 62 5.367 -33.169 2.871 1.00 0.00 C ATOM 971 O PHE A 62 5.411 -34.361 3.178 1.00 0.00 O ATOM 972 CB PHE A 62 4.605 -32.412 0.612 1.00 0.00 C ATOM 973 CG PHE A 62 3.447 -32.436 -0.344 1.00 0.00 C ATOM 974 CD1 PHE A 62 2.372 -31.579 -0.173 1.00 0.00 C ATOM 975 CD2 PHE A 62 3.433 -33.314 -1.416 1.00 0.00 C ATOM 976 CE1 PHE A 62 1.305 -31.599 -1.050 1.00 0.00 C ATOM 977 CE2 PHE A 62 2.370 -33.339 -2.298 1.00 0.00 C ATOM 978 CZ PHE A 62 1.304 -32.479 -2.116 1.00 0.00 C ATOM 0 H PHE A 62 3.873 -30.536 2.038 1.00 0.00 H new ATOM 0 HA PHE A 62 3.372 -33.321 2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.127 -31.460 0.514 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.312 -33.193 0.333 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.368 -30.887 0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.264 -33.988 -1.564 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.472 -30.927 -0.903 1.00 0.00 H new ATOM 0 HE2 PHE A 62 2.372 -34.030 -3.128 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.472 -32.494 -2.805 1.00 0.00 H new ATOM 988 N LYS A 63 6.317 -32.303 3.204 1.00 0.00 N ATOM 989 CA LYS A 63 7.491 -32.710 3.968 1.00 0.00 C ATOM 990 C LYS A 63 7.098 -33.156 5.373 1.00 0.00 C ATOM 991 O LYS A 63 7.535 -34.206 5.845 1.00 0.00 O ATOM 992 CB LYS A 63 8.496 -31.559 4.050 1.00 0.00 C ATOM 993 CG LYS A 63 9.647 -31.823 5.005 1.00 0.00 C ATOM 994 CD LYS A 63 9.392 -31.206 6.370 1.00 0.00 C ATOM 995 CE LYS A 63 10.669 -31.126 7.193 1.00 0.00 C ATOM 996 NZ LYS A 63 10.858 -29.777 7.794 1.00 0.00 N ATOM 0 H LYS A 63 6.298 -31.314 2.957 1.00 0.00 H new ATOM 0 HA LYS A 63 7.954 -33.553 3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.897 -31.367 3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.975 -30.654 4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.793 -32.898 5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.568 -31.416 4.587 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.974 -30.207 6.247 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.649 -31.798 6.905 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.639 -31.875 7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.524 -31.365 6.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.739 -29.764 8.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.913 -29.065 7.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.055 -29.559 8.418 1.00 0.00 H new ATOM 1010 N SER A 64 6.271 -32.354 6.035 1.00 0.00 N ATOM 1011 CA SER A 64 5.822 -32.666 7.387 1.00 0.00 C ATOM 1012 C SER A 64 5.083 -34.000 7.418 1.00 0.00 C ATOM 1013 O SER A 64 5.380 -34.869 8.239 1.00 0.00 O ATOM 1014 CB SER A 64 4.914 -31.554 7.914 1.00 0.00 C ATOM 1015 OG SER A 64 5.670 -30.427 8.320 1.00 0.00 O ATOM 0 H SER A 64 5.898 -31.483 5.657 1.00 0.00 H new ATOM 0 HA SER A 64 6.700 -32.742 8.028 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.206 -31.261 7.139 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.329 -31.926 8.756 1.00 0.00 H new ATOM 0 HG SER A 64 5.774 -29.813 7.563 1.00 0.00 H new ATOM 1021 N LYS A 65 4.118 -34.156 6.519 1.00 0.00 N ATOM 1022 CA LYS A 65 3.334 -35.384 6.441 1.00 0.00 C ATOM 1023 C LYS A 65 4.233 -36.585 6.167 1.00 0.00 C ATOM 1024 O LYS A 65 4.090 -37.637 6.791 1.00 0.00 O ATOM 1025 CB LYS A 65 2.272 -35.267 5.346 1.00 0.00 C ATOM 1026 CG LYS A 65 1.052 -36.140 5.587 1.00 0.00 C ATOM 1027 CD LYS A 65 0.464 -36.648 4.281 1.00 0.00 C ATOM 1028 CE LYS A 65 0.133 -38.131 4.359 1.00 0.00 C ATOM 1029 NZ LYS A 65 -0.310 -38.669 3.043 1.00 0.00 N ATOM 0 H LYS A 65 3.859 -33.447 5.833 1.00 0.00 H new ATOM 0 HA LYS A 65 2.840 -35.533 7.401 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.955 -34.227 5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.718 -35.536 4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.327 -36.986 6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.297 -35.571 6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.438 -36.085 4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.171 -36.474 3.470 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.010 -38.682 4.700 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.651 -38.290 5.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.526 -39.682 3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.161 -38.161 2.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.448 -38.540 2.343 1.00 0.00 H new ATOM 1043 N LEU A 66 5.160 -36.423 5.229 1.00 0.00 N ATOM 1044 CA LEU A 66 6.084 -37.494 4.872 1.00 0.00 C ATOM 1045 C LEU A 66 6.929 -37.907 6.073 1.00 0.00 C ATOM 1046 O LEU A 66 7.183 -39.092 6.290 1.00 0.00 O ATOM 1047 CB LEU A 66 6.993 -37.050 3.724 1.00 0.00 C ATOM 1048 CG LEU A 66 8.077 -38.043 3.303 1.00 0.00 C ATOM 1049 CD1 LEU A 66 7.570 -38.944 2.188 1.00 0.00 C ATOM 1050 CD2 LEU A 66 9.334 -37.306 2.866 1.00 0.00 C ATOM 0 H LEU A 66 5.292 -35.560 4.702 1.00 0.00 H new ATOM 0 HA LEU A 66 5.497 -38.354 4.550 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.370 -36.834 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.476 -36.116 4.010 1.00 0.00 H new ATOM 0 HG LEU A 66 8.326 -38.667 4.162 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.354 -39.644 1.901 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.698 -39.498 2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.293 -38.336 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.095 -38.028 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.101 -36.658 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.708 -36.703 3.693 1.00 0.00 H new ATOM 1062 N LYS A 67 7.361 -36.921 6.854 1.00 0.00 N ATOM 1063 CA LYS A 67 8.174 -37.182 8.035 1.00 0.00 C ATOM 1064 C LYS A 67 7.345 -37.843 9.131 1.00 0.00 C ATOM 1065 O LYS A 67 7.762 -38.837 9.725 1.00 0.00 O ATOM 1066 CB LYS A 67 8.781 -35.877 8.558 1.00 0.00 C ATOM 1067 CG LYS A 67 9.526 -36.037 9.872 1.00 0.00 C ATOM 1068 CD LYS A 67 10.696 -35.073 9.971 1.00 0.00 C ATOM 1069 CE LYS A 67 12.002 -35.737 9.563 1.00 0.00 C ATOM 1070 NZ LYS A 67 12.930 -35.890 10.717 1.00 0.00 N ATOM 0 H LYS A 67 7.161 -35.934 6.689 1.00 0.00 H new ATOM 0 HA LYS A 67 8.977 -37.862 7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.465 -35.478 7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.986 -35.143 8.688 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.841 -35.866 10.703 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.888 -37.061 9.963 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.511 -34.209 9.333 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.778 -34.703 10.993 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.793 -36.716 9.133 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.484 -35.144 8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 13.808 -36.346 10.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.150 -34.953 11.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.481 -36.477 11.448 1.00 0.00 H new ATOM 1084 N LYS A 68 6.167 -37.287 9.394 1.00 0.00 N ATOM 1085 CA LYS A 68 5.277 -37.824 10.416 1.00 0.00 C ATOM 1086 C LYS A 68 4.873 -39.258 10.087 1.00 0.00 C ATOM 1087 O LYS A 68 4.801 -40.111 10.971 1.00 0.00 O ATOM 1088 CB LYS A 68 4.028 -36.949 10.546 1.00 0.00 C ATOM 1089 CG LYS A 68 4.005 -36.109 11.812 1.00 0.00 C ATOM 1090 CD LYS A 68 3.424 -36.882 12.984 1.00 0.00 C ATOM 1091 CE LYS A 68 4.519 -37.419 13.894 1.00 0.00 C ATOM 1092 NZ LYS A 68 4.755 -38.874 13.680 1.00 0.00 N ATOM 0 H LYS A 68 5.806 -36.463 8.912 1.00 0.00 H new ATOM 0 HA LYS A 68 5.813 -37.824 11.365 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.965 -36.289 9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.144 -37.586 10.526 1.00 0.00 H new ATOM 0 HG2 LYS A 68 5.018 -35.786 12.054 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.416 -35.208 11.641 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.760 -36.234 13.555 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.820 -37.710 12.612 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.443 -36.871 13.712 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.244 -37.245 14.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.714 -39.120 13.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.059 -39.422 14.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.656 -39.097 12.669 1.00 0.00 H new ATOM 1106 N ALA A 69 4.612 -39.516 8.809 1.00 0.00 N ATOM 1107 CA ALA A 69 4.220 -40.848 8.363 1.00 0.00 C ATOM 1108 C ALA A 69 5.361 -41.844 8.539 1.00 0.00 C ATOM 1109 O ALA A 69 5.142 -42.988 8.942 1.00 0.00 O ATOM 1110 CB ALA A 69 3.772 -40.806 6.909 1.00 0.00 C ATOM 0 H ALA A 69 4.665 -38.820 8.065 1.00 0.00 H new ATOM 0 HA ALA A 69 3.385 -41.180 8.980 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.482 -41.807 6.589 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.921 -40.132 6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.592 -40.449 6.286 1.00 0.00 H new