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 Single : A 11 ASN : amide:sc= -0.227 K(o=-0.23,f=-1.4!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 14 ASN : amide:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 165:sc= -0.0201 (180deg=-0.94) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.011 X(o=-0.011,f=-0.37) 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=-1.6!) 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+ 172:sc= 0 (180deg=-0.0254) USER MOD Single : A 48 THR OG1 : rot 80:sc= 0.995 USER MOD Single : A 49 ASN : amide:sc= -0.336 X(o=-0.34,f=-0.0052) USER MOD Single : A 53 ASN : amide:sc= -0.466 X(o=-0.47,f=-0.055) USER MOD Single : A 55 THR OG1 : rot 90:sc= 1.3 USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.0675 X(o=-0.067,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= -0.0169 (180deg=-0.165) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 139 N ASN A 11 4.614 41.230 -12.458 1.00 0.00 N ATOM 140 CA ASN A 11 5.518 40.653 -11.470 1.00 0.00 C ATOM 141 C ASN A 11 4.749 39.820 -10.450 1.00 0.00 C ATOM 142 O ASN A 11 5.227 38.780 -9.996 1.00 0.00 O ATOM 143 CB ASN A 11 6.301 41.758 -10.758 1.00 0.00 C ATOM 144 CG ASN A 11 7.801 41.600 -10.918 1.00 0.00 C ATOM 145 OD1 ASN A 11 8.275 41.045 -11.910 1.00 0.00 O ATOM 146 ND2 ASN A 11 8.554 42.088 -9.940 1.00 0.00 N ATOM 0 HA ASN A 11 6.218 40.000 -11.992 1.00 0.00 H new ATOM 0 HB2 ASN A 11 5.997 42.727 -11.153 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.049 41.752 -9.698 1.00 0.00 H new ATOM 0 HD21 ASN A 11 9.570 42.011 -9.992 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.117 42.540 -9.137 1.00 0.00 H new ATOM 153 N GLN A 12 3.556 40.285 -10.093 1.00 0.00 N ATOM 154 CA GLN A 12 2.720 39.583 -9.126 1.00 0.00 C ATOM 155 C GLN A 12 2.446 38.152 -9.581 1.00 0.00 C ATOM 156 O GLN A 12 2.537 37.211 -8.793 1.00 0.00 O ATOM 157 CB GLN A 12 1.400 40.328 -8.925 1.00 0.00 C ATOM 158 CG GLN A 12 0.648 40.596 -10.219 1.00 0.00 C ATOM 159 CD GLN A 12 -0.506 41.560 -10.035 1.00 0.00 C ATOM 160 OE1 GLN A 12 -0.312 42.715 -9.653 1.00 0.00 O ATOM 161 NE2 GLN A 12 -1.718 41.091 -10.307 1.00 0.00 N ATOM 0 H GLN A 12 3.147 41.145 -10.459 1.00 0.00 H new ATOM 0 HA GLN A 12 3.257 39.547 -8.178 1.00 0.00 H new ATOM 0 HB2 GLN A 12 0.763 39.747 -8.258 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.600 41.277 -8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.339 41.000 -10.959 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.270 39.654 -10.616 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.833 40.127 -10.621 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.534 41.694 -10.202 1.00 0.00 H new ATOM 170 N VAL A 13 2.109 37.997 -10.857 1.00 0.00 N ATOM 171 CA VAL A 13 1.823 36.681 -11.417 1.00 0.00 C ATOM 172 C VAL A 13 3.066 35.799 -11.414 1.00 0.00 C ATOM 173 O VAL A 13 3.010 34.630 -11.034 1.00 0.00 O ATOM 174 CB VAL A 13 1.287 36.788 -12.857 1.00 0.00 C ATOM 175 CG1 VAL A 13 1.029 35.405 -13.435 1.00 0.00 C ATOM 176 CG2 VAL A 13 0.023 37.635 -12.893 1.00 0.00 C ATOM 0 H VAL A 13 2.027 38.766 -11.522 1.00 0.00 H new ATOM 0 HA VAL A 13 1.059 36.228 -10.785 1.00 0.00 H new ATOM 0 HB VAL A 13 2.042 37.277 -13.472 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.651 35.501 -14.453 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.959 34.836 -13.445 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.293 34.886 -12.822 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.342 37.700 -13.918 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.740 37.176 -12.264 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.245 38.636 -12.523 1.00 0.00 H new ATOM 186 N ASN A 14 4.190 36.369 -11.839 1.00 0.00 N ATOM 187 CA ASN A 14 5.449 35.634 -11.885 1.00 0.00 C ATOM 188 C ASN A 14 5.800 35.071 -10.512 1.00 0.00 C ATOM 189 O ASN A 14 5.940 33.859 -10.344 1.00 0.00 O ATOM 190 CB ASN A 14 6.576 36.543 -12.381 1.00 0.00 C ATOM 191 CG ASN A 14 6.918 36.298 -13.837 1.00 0.00 C ATOM 192 OD1 ASN A 14 6.817 37.199 -14.670 1.00 0.00 O ATOM 193 ND2 ASN A 14 7.325 35.073 -14.151 1.00 0.00 N ATOM 0 H ASN A 14 4.254 37.336 -12.156 1.00 0.00 H new ATOM 0 HA ASN A 14 5.331 34.802 -12.579 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.283 37.585 -12.250 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.464 36.382 -11.770 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.569 34.848 -15.116 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.394 34.357 -13.427 1.00 0.00 H new ATOM 200 N ASP A 15 5.942 35.959 -9.533 1.00 0.00 N ATOM 201 CA ASP A 15 6.276 35.550 -8.173 1.00 0.00 C ATOM 202 C ASP A 15 5.243 34.568 -7.632 1.00 0.00 C ATOM 203 O ASP A 15 5.593 33.564 -7.012 1.00 0.00 O ATOM 204 CB ASP A 15 6.365 36.773 -7.259 1.00 0.00 C ATOM 205 CG ASP A 15 7.794 37.129 -6.904 1.00 0.00 C ATOM 206 OD1 ASP A 15 8.688 36.904 -7.747 1.00 0.00 O ATOM 207 OD2 ASP A 15 8.021 37.632 -5.783 1.00 0.00 O ATOM 0 H ASP A 15 5.831 36.965 -9.656 1.00 0.00 H new ATOM 0 HA ASP A 15 7.245 35.052 -8.196 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.893 37.624 -7.750 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.804 36.581 -6.344 1.00 0.00 H new ATOM 212 N GLU A 16 3.969 34.865 -7.870 1.00 0.00 N ATOM 213 CA GLU A 16 2.885 34.007 -7.403 1.00 0.00 C ATOM 214 C GLU A 16 3.093 32.568 -7.865 1.00 0.00 C ATOM 215 O GLU A 16 2.979 31.629 -7.077 1.00 0.00 O ATOM 216 CB GLU A 16 1.539 34.529 -7.911 1.00 0.00 C ATOM 217 CG GLU A 16 0.892 35.545 -6.986 1.00 0.00 C ATOM 218 CD GLU A 16 0.024 34.898 -5.924 1.00 0.00 C ATOM 219 OE1 GLU A 16 0.567 34.143 -5.092 1.00 0.00 O ATOM 220 OE2 GLU A 16 -1.200 35.149 -5.926 1.00 0.00 O ATOM 0 H GLU A 16 3.662 35.692 -8.383 1.00 0.00 H new ATOM 0 HA GLU A 16 2.885 34.023 -6.313 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.682 34.982 -8.892 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.859 33.687 -8.045 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.669 36.138 -6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.286 36.233 -7.575 1.00 0.00 H new ATOM 227 N LEU A 17 3.398 32.403 -9.148 1.00 0.00 N ATOM 228 CA LEU A 17 3.621 31.078 -9.716 1.00 0.00 C ATOM 229 C LEU A 17 4.913 30.467 -9.182 1.00 0.00 C ATOM 230 O LEU A 17 5.014 29.252 -9.017 1.00 0.00 O ATOM 231 CB LEU A 17 3.676 31.159 -11.244 1.00 0.00 C ATOM 232 CG LEU A 17 2.645 30.317 -11.997 1.00 0.00 C ATOM 233 CD1 LEU A 17 1.445 31.166 -12.387 1.00 0.00 C ATOM 234 CD2 LEU A 17 3.273 29.682 -13.228 1.00 0.00 C ATOM 0 H LEU A 17 3.496 33.170 -9.814 1.00 0.00 H new ATOM 0 HA LEU A 17 2.789 30.439 -9.421 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.549 32.201 -11.538 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.671 30.855 -11.569 1.00 0.00 H new ATOM 0 HG LEU A 17 2.302 29.521 -11.336 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.722 30.550 -12.922 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.981 31.574 -11.489 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.771 31.983 -13.030 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.525 29.086 -13.752 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.644 30.463 -13.891 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.100 29.040 -12.925 1.00 0.00 H new ATOM 246 N ASN A 18 5.897 31.319 -8.913 1.00 0.00 N ATOM 247 CA ASN A 18 7.182 30.862 -8.395 1.00 0.00 C ATOM 248 C ASN A 18 7.006 30.134 -7.066 1.00 0.00 C ATOM 249 O ASN A 18 7.348 28.959 -6.940 1.00 0.00 O ATOM 250 CB ASN A 18 8.134 32.047 -8.218 1.00 0.00 C ATOM 251 CG ASN A 18 9.260 32.041 -9.234 1.00 0.00 C ATOM 252 OD1 ASN A 18 9.086 32.472 -10.373 1.00 0.00 O ATOM 253 ND2 ASN A 18 10.423 31.548 -8.823 1.00 0.00 N ATOM 0 H ASN A 18 5.830 32.328 -9.045 1.00 0.00 H new ATOM 0 HA ASN A 18 7.609 30.165 -9.116 1.00 0.00 H new ATOM 0 HB2 ASN A 18 7.573 32.977 -8.307 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.555 32.024 -7.213 1.00 0.00 H new ATOM 0 HD21 ASN A 18 11.218 31.516 -9.462 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.521 31.201 -7.869 1.00 0.00 H new ATOM 260 N LYS A 19 6.469 30.840 -6.077 1.00 0.00 N ATOM 261 CA LYS A 19 6.245 30.263 -4.757 1.00 0.00 C ATOM 262 C LYS A 19 5.202 29.151 -4.821 1.00 0.00 C ATOM 263 O LYS A 19 5.408 28.065 -4.283 1.00 0.00 O ATOM 264 CB LYS A 19 5.793 31.346 -3.774 1.00 0.00 C ATOM 265 CG LYS A 19 6.827 32.435 -3.552 1.00 0.00 C ATOM 266 CD LYS A 19 6.308 33.795 -3.990 1.00 0.00 C ATOM 267 CE LYS A 19 7.420 34.656 -4.570 1.00 0.00 C ATOM 268 NZ LYS A 19 8.043 34.026 -5.767 1.00 0.00 N ATOM 0 H LYS A 19 6.180 31.814 -6.165 1.00 0.00 H new ATOM 0 HA LYS A 19 7.186 29.836 -4.409 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.873 31.800 -4.144 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.556 30.881 -2.817 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.098 32.471 -2.497 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.734 32.195 -4.106 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.523 33.663 -4.734 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.858 34.305 -3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 19 7.019 35.633 -4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.183 34.824 -3.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.607 34.735 -6.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.660 33.244 -5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.298 33.658 -6.393 1.00 0.00 H new ATOM 282 N MET A 20 4.084 29.432 -5.481 1.00 0.00 N ATOM 283 CA MET A 20 3.011 28.454 -5.617 1.00 0.00 C ATOM 284 C MET A 20 3.541 27.139 -6.177 1.00 0.00 C ATOM 285 O MET A 20 3.332 26.076 -5.595 1.00 0.00 O ATOM 286 CB MET A 20 1.905 29.000 -6.522 1.00 0.00 C ATOM 287 CG MET A 20 0.828 27.979 -6.849 1.00 0.00 C ATOM 288 SD MET A 20 -0.470 28.652 -7.905 1.00 0.00 S ATOM 289 CE MET A 20 -1.895 27.747 -7.307 1.00 0.00 C ATOM 0 H MET A 20 3.897 30.329 -5.930 1.00 0.00 H new ATOM 0 HA MET A 20 2.598 28.265 -4.626 1.00 0.00 H new ATOM 0 HB2 MET A 20 1.443 29.861 -6.039 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.350 29.357 -7.451 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.284 27.121 -7.343 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.385 27.615 -5.922 1.00 0.00 H new ATOM 0 HE1 MET A 20 -2.780 28.053 -7.864 1.00 0.00 H new ATOM 0 HE2 MET A 20 -1.731 26.678 -7.445 1.00 0.00 H new ATOM 0 HE3 MET A 20 -2.042 27.958 -6.248 1.00 0.00 H new ATOM 299 N GLN A 21 4.228 27.219 -7.313 1.00 0.00 N ATOM 300 CA GLN A 21 4.788 26.034 -7.953 1.00 0.00 C ATOM 301 C GLN A 21 5.780 25.334 -7.030 1.00 0.00 C ATOM 302 O GLN A 21 5.754 24.112 -6.888 1.00 0.00 O ATOM 303 CB GLN A 21 5.474 26.413 -9.265 1.00 0.00 C ATOM 304 CG GLN A 21 5.808 25.218 -10.145 1.00 0.00 C ATOM 305 CD GLN A 21 4.621 24.744 -10.961 1.00 0.00 C ATOM 306 OE1 GLN A 21 3.918 25.546 -11.578 1.00 0.00 O ATOM 307 NE2 GLN A 21 4.393 23.437 -10.969 1.00 0.00 N ATOM 0 H GLN A 21 4.410 28.092 -7.809 1.00 0.00 H new ATOM 0 HA GLN A 21 3.970 25.346 -8.165 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.828 27.093 -9.820 1.00 0.00 H new ATOM 0 HB3 GLN A 21 6.392 26.957 -9.042 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.624 25.484 -10.818 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.164 24.399 -9.520 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.002 22.810 -10.443 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.609 23.059 -11.501 1.00 0.00 H new ATOM 316 N ALA A 22 6.652 26.117 -6.404 1.00 0.00 N ATOM 317 CA ALA A 22 7.652 25.573 -5.493 1.00 0.00 C ATOM 318 C ALA A 22 6.994 24.813 -4.347 1.00 0.00 C ATOM 319 O ALA A 22 7.401 23.700 -4.013 1.00 0.00 O ATOM 320 CB ALA A 22 8.535 26.687 -4.953 1.00 0.00 C ATOM 0 H ALA A 22 6.686 27.131 -6.511 1.00 0.00 H new ATOM 0 HA ALA A 22 8.273 24.871 -6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.277 26.266 -4.274 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.041 27.184 -5.781 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.921 27.410 -4.416 1.00 0.00 H new ATOM 326 N PHE A 23 5.975 25.419 -3.748 1.00 0.00 N ATOM 327 CA PHE A 23 5.262 24.800 -2.638 1.00 0.00 C ATOM 328 C PHE A 23 4.630 23.478 -3.066 1.00 0.00 C ATOM 329 O PHE A 23 4.733 22.473 -2.363 1.00 0.00 O ATOM 330 CB PHE A 23 4.182 25.746 -2.107 1.00 0.00 C ATOM 331 CG PHE A 23 4.676 26.682 -1.041 1.00 0.00 C ATOM 332 CD1 PHE A 23 5.771 27.500 -1.273 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.046 26.744 0.192 1.00 0.00 C ATOM 334 CE1 PHE A 23 6.228 28.362 -0.294 1.00 0.00 C ATOM 335 CE2 PHE A 23 4.499 27.605 1.174 1.00 0.00 C ATOM 336 CZ PHE A 23 5.591 28.415 0.931 1.00 0.00 C ATOM 0 H PHE A 23 5.624 26.339 -4.013 1.00 0.00 H new ATOM 0 HA PHE A 23 5.981 24.598 -1.844 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.783 26.330 -2.936 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.358 25.155 -1.707 1.00 0.00 H new ATOM 0 HD1 PHE A 23 6.272 27.463 -2.229 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.192 26.113 0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 23 7.083 28.994 -0.486 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.999 27.644 2.131 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.946 29.088 1.697 1.00 0.00 H new ATOM 346 N ILE A 24 3.977 23.490 -4.224 1.00 0.00 N ATOM 347 CA ILE A 24 3.330 22.293 -4.746 1.00 0.00 C ATOM 348 C ILE A 24 4.359 21.237 -5.136 1.00 0.00 C ATOM 349 O ILE A 24 4.083 20.038 -5.083 1.00 0.00 O ATOM 350 CB ILE A 24 2.453 22.616 -5.971 1.00 0.00 C ATOM 351 CG1 ILE A 24 1.336 23.586 -5.584 1.00 0.00 C ATOM 352 CG2 ILE A 24 1.874 21.339 -6.559 1.00 0.00 C ATOM 353 CD1 ILE A 24 0.343 23.004 -4.602 1.00 0.00 C ATOM 0 H ILE A 24 3.882 24.314 -4.817 1.00 0.00 H new ATOM 0 HA ILE A 24 2.697 21.903 -3.949 1.00 0.00 H new ATOM 0 HB ILE A 24 3.075 23.092 -6.729 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.779 24.483 -5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.806 23.895 -6.485 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.257 21.584 -7.424 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.685 20.680 -6.867 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.264 20.837 -5.808 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.421 23.747 -4.373 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.128 22.123 -5.039 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.861 22.721 -3.685 1.00 0.00 H new ATOM 365 N ARG A 25 5.546 21.691 -5.524 1.00 0.00 N ATOM 366 CA ARG A 25 6.617 20.785 -5.922 1.00 0.00 C ATOM 367 C ARG A 25 7.139 20.000 -4.722 1.00 0.00 C ATOM 368 O ARG A 25 7.280 18.779 -4.780 1.00 0.00 O ATOM 369 CB ARG A 25 7.761 21.567 -6.570 1.00 0.00 C ATOM 370 CG ARG A 25 7.575 21.796 -8.060 1.00 0.00 C ATOM 371 CD ARG A 25 8.732 22.586 -8.652 1.00 0.00 C ATOM 372 NE ARG A 25 8.743 22.530 -10.111 1.00 0.00 N ATOM 373 CZ ARG A 25 9.406 23.393 -10.874 1.00 0.00 C ATOM 374 NH1 ARG A 25 10.107 24.371 -10.319 1.00 0.00 N ATOM 375 NH2 ARG A 25 9.367 23.277 -12.196 1.00 0.00 N ATOM 0 H ARG A 25 5.790 22.680 -5.571 1.00 0.00 H new ATOM 0 HA ARG A 25 6.211 20.080 -6.647 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.858 22.532 -6.072 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.695 21.029 -6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.491 20.836 -8.569 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.641 22.331 -8.233 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.664 23.625 -8.330 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.673 22.194 -8.267 1.00 0.00 H new ATOM 0 HE ARG A 25 8.213 21.789 -10.569 1.00 0.00 H new ATOM 0 HH11 ARG A 25 10.139 24.463 -9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.615 25.032 -10.907 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.828 22.525 -12.626 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.876 23.939 -12.781 1.00 0.00 H new ATOM 389 N LYS A 26 7.423 20.710 -3.635 1.00 0.00 N ATOM 390 CA LYS A 26 7.929 20.081 -2.421 1.00 0.00 C ATOM 391 C LYS A 26 6.857 19.212 -1.773 1.00 0.00 C ATOM 392 O LYS A 26 7.122 18.077 -1.375 1.00 0.00 O ATOM 393 CB LYS A 26 8.404 21.146 -1.431 1.00 0.00 C ATOM 394 CG LYS A 26 9.120 20.575 -0.220 1.00 0.00 C ATOM 395 CD LYS A 26 9.461 21.658 0.789 1.00 0.00 C ATOM 396 CE LYS A 26 10.834 22.255 0.525 1.00 0.00 C ATOM 397 NZ LYS A 26 10.779 23.737 0.391 1.00 0.00 N ATOM 0 H LYS A 26 7.311 21.722 -3.570 1.00 0.00 H new ATOM 0 HA LYS A 26 8.772 19.446 -2.694 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.073 21.836 -1.946 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.545 21.726 -1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.491 19.821 0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.034 20.074 -0.539 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.707 22.445 0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.432 21.241 1.796 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.508 21.989 1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.248 21.823 -0.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.735 24.105 0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.156 23.991 -0.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.408 24.151 1.270 1.00 0.00 H new ATOM 411 N GLU A 27 5.646 19.750 -1.670 1.00 0.00 N ATOM 412 CA GLU A 27 4.534 19.022 -1.069 1.00 0.00 C ATOM 413 C GLU A 27 4.234 17.746 -1.852 1.00 0.00 C ATOM 414 O GLU A 27 4.084 16.671 -1.273 1.00 0.00 O ATOM 415 CB GLU A 27 3.287 19.905 -1.014 1.00 0.00 C ATOM 416 CG GLU A 27 2.475 19.733 0.258 1.00 0.00 C ATOM 417 CD GLU A 27 1.876 21.037 0.750 1.00 0.00 C ATOM 418 OE1 GLU A 27 2.579 21.782 1.464 1.00 0.00 O ATOM 419 OE2 GLU A 27 0.704 21.313 0.420 1.00 0.00 O ATOM 0 H GLU A 27 5.410 20.688 -1.995 1.00 0.00 H new ATOM 0 HA GLU A 27 4.819 18.747 -0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.587 20.949 -1.105 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.654 19.679 -1.872 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.675 19.015 0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.112 19.313 1.037 1.00 0.00 H new ATOM 426 N ALA A 28 4.146 17.876 -3.171 1.00 0.00 N ATOM 427 CA ALA A 28 3.865 16.735 -4.034 1.00 0.00 C ATOM 428 C ALA A 28 5.015 15.734 -4.011 1.00 0.00 C ATOM 429 O ALA A 28 4.794 14.523 -4.028 1.00 0.00 O ATOM 430 CB ALA A 28 3.599 17.203 -5.457 1.00 0.00 C ATOM 0 H ALA A 28 4.265 18.760 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 28 2.974 16.234 -3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.391 16.341 -6.091 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.741 17.875 -5.465 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.475 17.729 -5.837 1.00 0.00 H new ATOM 436 N GLU A 29 6.240 16.246 -3.971 1.00 0.00 N ATOM 437 CA GLU A 29 7.423 15.394 -3.948 1.00 0.00 C ATOM 438 C GLU A 29 7.463 14.553 -2.675 1.00 0.00 C ATOM 439 O GLU A 29 7.742 13.355 -2.719 1.00 0.00 O ATOM 440 CB GLU A 29 8.692 16.243 -4.050 1.00 0.00 C ATOM 441 CG GLU A 29 9.974 15.430 -3.999 1.00 0.00 C ATOM 442 CD GLU A 29 10.888 15.707 -5.179 1.00 0.00 C ATOM 443 OE1 GLU A 29 10.413 15.616 -6.331 1.00 0.00 O ATOM 444 OE2 GLU A 29 12.075 16.016 -4.950 1.00 0.00 O ATOM 0 H GLU A 29 6.440 17.246 -3.954 1.00 0.00 H new ATOM 0 HA GLU A 29 7.373 14.723 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.667 16.808 -4.982 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.700 16.969 -3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 29 10.504 15.653 -3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.726 14.369 -3.977 1.00 0.00 H new ATOM 451 N GLU A 30 7.181 15.190 -1.542 1.00 0.00 N ATOM 452 CA GLU A 30 7.185 14.500 -0.258 1.00 0.00 C ATOM 453 C GLU A 30 6.054 13.477 -0.186 1.00 0.00 C ATOM 454 O GLU A 30 6.263 12.329 0.206 1.00 0.00 O ATOM 455 CB GLU A 30 7.052 15.506 0.887 1.00 0.00 C ATOM 456 CG GLU A 30 8.074 15.308 1.994 1.00 0.00 C ATOM 457 CD GLU A 30 8.069 16.442 3.001 1.00 0.00 C ATOM 458 OE1 GLU A 30 7.367 17.447 2.762 1.00 0.00 O ATOM 459 OE2 GLU A 30 8.766 16.322 4.030 1.00 0.00 O ATOM 0 H GLU A 30 6.947 16.181 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 30 8.134 13.973 -0.160 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.154 16.515 0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.051 15.431 1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.870 14.369 2.509 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.068 15.221 1.555 1.00 0.00 H new ATOM 466 N LYS A 31 4.854 13.903 -0.565 1.00 0.00 N ATOM 467 CA LYS A 31 3.688 13.027 -0.545 1.00 0.00 C ATOM 468 C LYS A 31 3.877 11.850 -1.495 1.00 0.00 C ATOM 469 O LYS A 31 3.635 10.700 -1.129 1.00 0.00 O ATOM 470 CB LYS A 31 2.430 13.809 -0.929 1.00 0.00 C ATOM 471 CG LYS A 31 1.170 13.307 -0.245 1.00 0.00 C ATOM 472 CD LYS A 31 0.464 14.421 0.509 1.00 0.00 C ATOM 473 CE LYS A 31 -1.032 14.161 0.614 1.00 0.00 C ATOM 474 NZ LYS A 31 -1.729 15.235 1.374 1.00 0.00 N ATOM 0 H LYS A 31 4.663 14.851 -0.890 1.00 0.00 H new ATOM 0 HA LYS A 31 3.572 12.640 0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.575 14.860 -0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 31 2.294 13.754 -2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.494 12.885 -0.989 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.425 12.504 0.446 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.890 14.512 1.508 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.635 15.371 0.002 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.459 14.088 -0.386 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.201 13.202 1.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.746 15.021 1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.339 15.288 2.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.590 16.147 0.893 1.00 0.00 H new ATOM 488 N ALA A 32 4.313 12.143 -2.716 1.00 0.00 N ATOM 489 CA ALA A 32 4.537 11.108 -3.717 1.00 0.00 C ATOM 490 C ALA A 32 5.597 10.115 -3.253 1.00 0.00 C ATOM 491 O ALA A 32 5.430 8.903 -3.385 1.00 0.00 O ATOM 492 CB ALA A 32 4.943 11.734 -5.042 1.00 0.00 C ATOM 0 H ALA A 32 4.518 13.090 -3.036 1.00 0.00 H new ATOM 0 HA ALA A 32 3.603 10.564 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.107 10.949 -5.780 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.151 12.398 -5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.862 12.304 -4.908 1.00 0.00 H new ATOM 498 N LYS A 33 6.691 10.638 -2.706 1.00 0.00 N ATOM 499 CA LYS A 33 7.780 9.799 -2.221 1.00 0.00 C ATOM 500 C LYS A 33 7.294 8.859 -1.123 1.00 0.00 C ATOM 501 O LYS A 33 7.576 7.661 -1.149 1.00 0.00 O ATOM 502 CB LYS A 33 8.925 10.667 -1.694 1.00 0.00 C ATOM 503 CG LYS A 33 9.936 11.052 -2.760 1.00 0.00 C ATOM 504 CD LYS A 33 11.303 11.330 -2.158 1.00 0.00 C ATOM 505 CE LYS A 33 12.422 10.838 -3.063 1.00 0.00 C ATOM 506 NZ LYS A 33 13.417 11.910 -3.347 1.00 0.00 N ATOM 0 H LYS A 33 6.846 11.639 -2.588 1.00 0.00 H new ATOM 0 HA LYS A 33 8.142 9.199 -3.056 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.510 11.574 -1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.438 10.131 -0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 33 10.017 10.249 -3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.586 11.936 -3.293 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.416 12.401 -1.988 1.00 0.00 H new ATOM 0 HD3 LYS A 33 11.379 10.843 -1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 33 12.924 9.992 -2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.999 10.477 -4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 14.163 11.535 -3.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 12.944 12.707 -3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.840 12.237 -2.455 1.00 0.00 H new ATOM 520 N GLU A 34 6.563 9.409 -0.159 1.00 0.00 N ATOM 521 CA GLU A 34 6.038 8.618 0.947 1.00 0.00 C ATOM 522 C GLU A 34 5.123 7.509 0.437 1.00 0.00 C ATOM 523 O GLU A 34 5.249 6.352 0.839 1.00 0.00 O ATOM 524 CB GLU A 34 5.276 9.514 1.927 1.00 0.00 C ATOM 525 CG GLU A 34 4.981 8.845 3.259 1.00 0.00 C ATOM 526 CD GLU A 34 4.312 9.782 4.247 1.00 0.00 C ATOM 527 OE1 GLU A 34 4.102 10.961 3.895 1.00 0.00 O ATOM 528 OE2 GLU A 34 3.999 9.336 5.370 1.00 0.00 O ATOM 0 H GLU A 34 6.321 10.399 -0.122 1.00 0.00 H new ATOM 0 HA GLU A 34 6.881 8.160 1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.856 10.419 2.105 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.336 9.823 1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.339 7.980 3.093 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.911 8.474 3.689 1.00 0.00 H new ATOM 535 N ILE A 35 4.200 7.872 -0.448 1.00 0.00 N ATOM 536 CA ILE A 35 3.264 6.908 -1.013 1.00 0.00 C ATOM 537 C ILE A 35 3.991 5.867 -1.859 1.00 0.00 C ATOM 538 O ILE A 35 3.551 4.723 -1.963 1.00 0.00 O ATOM 539 CB ILE A 35 2.196 7.601 -1.879 1.00 0.00 C ATOM 540 CG1 ILE A 35 1.420 8.624 -1.047 1.00 0.00 C ATOM 541 CG2 ILE A 35 1.250 6.572 -2.479 1.00 0.00 C ATOM 542 CD1 ILE A 35 0.699 9.660 -1.881 1.00 0.00 C ATOM 0 H ILE A 35 4.081 8.826 -0.789 1.00 0.00 H new ATOM 0 HA ILE A 35 2.775 6.414 -0.174 1.00 0.00 H new ATOM 0 HB ILE A 35 2.695 8.125 -2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.694 8.099 -0.426 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.110 9.129 -0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.501 7.078 -3.088 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.815 5.877 -3.101 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.755 6.022 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.171 10.352 -1.225 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.422 10.211 -2.482 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.016 9.165 -2.538 1.00 0.00 H new ATOM 554 N GLN A 36 5.105 6.273 -2.459 1.00 0.00 N ATOM 555 CA GLN A 36 5.892 5.375 -3.295 1.00 0.00 C ATOM 556 C GLN A 36 6.583 4.310 -2.449 1.00 0.00 C ATOM 557 O GLN A 36 6.554 3.124 -2.781 1.00 0.00 O ATOM 558 CB GLN A 36 6.934 6.165 -4.090 1.00 0.00 C ATOM 559 CG GLN A 36 6.396 6.744 -5.388 1.00 0.00 C ATOM 560 CD GLN A 36 7.360 7.720 -6.035 1.00 0.00 C ATOM 561 OE1 GLN A 36 7.398 8.899 -5.682 1.00 0.00 O ATOM 562 NE2 GLN A 36 8.145 7.233 -6.988 1.00 0.00 N ATOM 0 H GLN A 36 5.483 7.217 -2.382 1.00 0.00 H new ATOM 0 HA GLN A 36 5.214 4.879 -3.990 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.314 6.977 -3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.778 5.513 -4.315 1.00 0.00 H new ATOM 0 HG2 GLN A 36 6.185 5.932 -6.084 1.00 0.00 H new ATOM 0 HG3 GLN A 36 5.450 7.249 -5.192 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.080 6.249 -7.249 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.813 7.843 -7.459 1.00 0.00 H new ATOM 571 N LEU A 37 7.204 4.739 -1.356 1.00 0.00 N ATOM 572 CA LEU A 37 7.902 3.822 -0.463 1.00 0.00 C ATOM 573 C LEU A 37 6.914 2.938 0.292 1.00 0.00 C ATOM 574 O LEU A 37 7.212 1.788 0.612 1.00 0.00 O ATOM 575 CB LEU A 37 8.764 4.604 0.530 1.00 0.00 C ATOM 576 CG LEU A 37 8.073 5.041 1.822 1.00 0.00 C ATOM 577 CD1 LEU A 37 8.202 3.964 2.887 1.00 0.00 C ATOM 578 CD2 LEU A 37 8.651 6.357 2.318 1.00 0.00 C ATOM 0 H LEU A 37 7.238 5.717 -1.067 1.00 0.00 H new ATOM 0 HA LEU A 37 8.544 3.183 -1.069 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.626 3.991 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 37 9.146 5.493 0.027 1.00 0.00 H new ATOM 0 HG LEU A 37 7.014 5.190 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.704 4.293 3.799 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.738 3.044 2.532 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.256 3.782 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 37 8.147 6.652 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.717 6.236 2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.504 7.127 1.561 1.00 0.00 H new ATOM 590 N LYS A 38 5.733 3.482 0.569 1.00 0.00 N ATOM 591 CA LYS A 38 4.699 2.743 1.282 1.00 0.00 C ATOM 592 C LYS A 38 4.098 1.656 0.395 1.00 0.00 C ATOM 593 O LYS A 38 3.889 0.527 0.838 1.00 0.00 O ATOM 594 CB LYS A 38 3.599 3.695 1.756 1.00 0.00 C ATOM 595 CG LYS A 38 2.199 3.250 1.369 1.00 0.00 C ATOM 596 CD LYS A 38 1.137 4.131 2.003 1.00 0.00 C ATOM 597 CE LYS A 38 0.773 3.647 3.398 1.00 0.00 C ATOM 598 NZ LYS A 38 -0.401 4.378 3.950 1.00 0.00 N ATOM 0 H LYS A 38 5.469 4.433 0.310 1.00 0.00 H new ATOM 0 HA LYS A 38 5.158 2.268 2.149 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.654 3.789 2.841 1.00 0.00 H new ATOM 0 HB3 LYS A 38 3.784 4.686 1.340 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.095 3.277 0.284 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.047 2.216 1.678 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.498 5.158 2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.246 4.138 1.375 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.554 2.580 3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.627 3.778 4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.617 4.019 4.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.184 5.394 4.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.223 4.233 3.330 1.00 0.00 H new ATOM 612 N ALA A 39 3.823 2.005 -0.857 1.00 0.00 N ATOM 613 CA ALA A 39 3.250 1.059 -1.806 1.00 0.00 C ATOM 614 C ALA A 39 4.247 -0.042 -2.153 1.00 0.00 C ATOM 615 O ALA A 39 3.897 -1.222 -2.183 1.00 0.00 O ATOM 616 CB ALA A 39 2.799 1.782 -3.065 1.00 0.00 C ATOM 0 H ALA A 39 3.988 2.937 -1.238 1.00 0.00 H new ATOM 0 HA ALA A 39 2.383 0.593 -1.338 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.373 1.063 -3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.046 2.527 -2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.654 2.275 -3.527 1.00 0.00 H new ATOM 622 N ASP A 40 5.488 0.352 -2.415 1.00 0.00 N ATOM 623 CA ASP A 40 6.536 -0.601 -2.761 1.00 0.00 C ATOM 624 C ASP A 40 6.851 -1.514 -1.580 1.00 0.00 C ATOM 625 O ASP A 40 7.012 -2.723 -1.744 1.00 0.00 O ATOM 626 CB ASP A 40 7.801 0.136 -3.204 1.00 0.00 C ATOM 627 CG ASP A 40 8.815 -0.788 -3.846 1.00 0.00 C ATOM 628 OD1 ASP A 40 8.687 -1.062 -5.058 1.00 0.00 O ATOM 629 OD2 ASP A 40 9.740 -1.238 -3.137 1.00 0.00 O ATOM 0 H ASP A 40 5.793 1.325 -2.394 1.00 0.00 H new ATOM 0 HA ASP A 40 6.176 -1.215 -3.586 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.532 0.922 -3.910 1.00 0.00 H new ATOM 0 HB3 ASP A 40 8.254 0.624 -2.341 1.00 0.00 H new ATOM 634 N GLN A 41 6.938 -0.925 -0.391 1.00 0.00 N ATOM 635 CA GLN A 41 7.237 -1.687 0.817 1.00 0.00 C ATOM 636 C GLN A 41 6.114 -2.670 1.131 1.00 0.00 C ATOM 637 O GLN A 41 6.366 -3.832 1.450 1.00 0.00 O ATOM 638 CB GLN A 41 7.448 -0.741 2.000 1.00 0.00 C ATOM 639 CG GLN A 41 7.826 -1.455 3.288 1.00 0.00 C ATOM 640 CD GLN A 41 7.043 -0.953 4.485 1.00 0.00 C ATOM 641 OE1 GLN A 41 5.831 -1.150 4.576 1.00 0.00 O ATOM 642 NE2 GLN A 41 7.733 -0.299 5.413 1.00 0.00 N ATOM 0 H GLN A 41 6.806 0.075 -0.238 1.00 0.00 H new ATOM 0 HA GLN A 41 8.153 -2.253 0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 41 8.230 -0.025 1.748 1.00 0.00 H new ATOM 0 HB3 GLN A 41 6.535 -0.170 2.165 1.00 0.00 H new ATOM 0 HG2 GLN A 41 7.655 -2.525 3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 41 8.892 -1.321 3.474 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.737 -0.158 5.298 1.00 0.00 H new ATOM 0 HE22 GLN A 41 7.259 0.062 6.241 1.00 0.00 H new ATOM 651 N GLU A 42 4.876 -2.197 1.038 1.00 0.00 N ATOM 652 CA GLU A 42 3.715 -3.037 1.314 1.00 0.00 C ATOM 653 C GLU A 42 3.570 -4.128 0.257 1.00 0.00 C ATOM 654 O GLU A 42 3.134 -5.241 0.555 1.00 0.00 O ATOM 655 CB GLU A 42 2.444 -2.187 1.363 1.00 0.00 C ATOM 656 CG GLU A 42 1.221 -2.949 1.843 1.00 0.00 C ATOM 657 CD GLU A 42 0.475 -2.221 2.945 1.00 0.00 C ATOM 658 OE1 GLU A 42 1.110 -1.883 3.966 1.00 0.00 O ATOM 659 OE2 GLU A 42 -0.743 -1.993 2.788 1.00 0.00 O ATOM 0 H GLU A 42 4.650 -1.238 0.774 1.00 0.00 H new ATOM 0 HA GLU A 42 3.864 -3.512 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.612 -1.335 2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.246 -1.787 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.548 -3.115 1.002 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.528 -3.931 2.204 1.00 0.00 H new ATOM 666 N TYR A 43 3.937 -3.801 -0.977 1.00 0.00 N ATOM 667 CA TYR A 43 3.845 -4.752 -2.078 1.00 0.00 C ATOM 668 C TYR A 43 4.888 -5.856 -1.934 1.00 0.00 C ATOM 669 O TYR A 43 4.610 -7.025 -2.197 1.00 0.00 O ATOM 670 CB TYR A 43 4.029 -4.034 -3.417 1.00 0.00 C ATOM 671 CG TYR A 43 2.728 -3.608 -4.059 1.00 0.00 C ATOM 672 CD1 TYR A 43 1.741 -2.968 -3.318 1.00 0.00 C ATOM 673 CD2 TYR A 43 2.486 -3.842 -5.406 1.00 0.00 C ATOM 674 CE1 TYR A 43 0.551 -2.578 -3.900 1.00 0.00 C ATOM 675 CE2 TYR A 43 1.299 -3.455 -5.998 1.00 0.00 C ATOM 676 CZ TYR A 43 0.335 -2.824 -5.240 1.00 0.00 C ATOM 677 OH TYR A 43 -0.849 -2.435 -5.825 1.00 0.00 O ATOM 0 H TYR A 43 4.301 -2.885 -1.240 1.00 0.00 H new ATOM 0 HA TYR A 43 2.855 -5.206 -2.049 1.00 0.00 H new ATOM 0 HB2 TYR A 43 4.655 -3.154 -3.265 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.564 -4.692 -4.102 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.908 -2.772 -2.269 1.00 0.00 H new ATOM 0 HD2 TYR A 43 3.239 -4.336 -6.002 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.206 -2.083 -3.310 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.127 -3.645 -7.047 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.841 -2.681 -6.774 1.00 0.00 H new ATOM 687 N GLU A 44 6.090 -5.474 -1.513 1.00 0.00 N ATOM 688 CA GLU A 44 7.175 -6.431 -1.333 1.00 0.00 C ATOM 689 C GLU A 44 6.886 -7.368 -0.164 1.00 0.00 C ATOM 690 O GLU A 44 7.023 -8.585 -0.282 1.00 0.00 O ATOM 691 CB GLU A 44 8.498 -5.698 -1.101 1.00 0.00 C ATOM 692 CG GLU A 44 9.724 -6.561 -1.349 1.00 0.00 C ATOM 693 CD GLU A 44 10.979 -5.740 -1.574 1.00 0.00 C ATOM 694 OE1 GLU A 44 11.265 -4.855 -0.741 1.00 0.00 O ATOM 695 OE2 GLU A 44 11.675 -5.983 -2.582 1.00 0.00 O ATOM 0 H GLU A 44 6.336 -4.510 -1.291 1.00 0.00 H new ATOM 0 HA GLU A 44 7.254 -7.028 -2.242 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.540 -4.826 -1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.525 -5.330 -0.075 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.876 -7.224 -0.497 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.548 -7.195 -2.218 1.00 0.00 H new ATOM 702 N ILE A 45 6.488 -6.790 0.965 1.00 0.00 N ATOM 703 CA ILE A 45 6.180 -7.572 2.156 1.00 0.00 C ATOM 704 C ILE A 45 4.960 -8.459 1.930 1.00 0.00 C ATOM 705 O ILE A 45 4.934 -9.614 2.354 1.00 0.00 O ATOM 706 CB ILE A 45 5.922 -6.664 3.373 1.00 0.00 C ATOM 707 CG1 ILE A 45 7.173 -5.843 3.698 1.00 0.00 C ATOM 708 CG2 ILE A 45 5.503 -7.498 4.575 1.00 0.00 C ATOM 709 CD1 ILE A 45 8.347 -6.683 4.146 1.00 0.00 C ATOM 0 H ILE A 45 6.371 -5.783 1.080 1.00 0.00 H new ATOM 0 HA ILE A 45 7.049 -8.198 2.357 1.00 0.00 H new ATOM 0 HB ILE A 45 5.111 -5.977 3.131 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.461 -5.271 2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.932 -5.123 4.480 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.324 -6.843 5.428 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.590 -8.044 4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.295 -8.205 4.821 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.198 -6.035 4.359 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.077 -7.235 5.046 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.614 -7.385 3.356 1.00 0.00 H new ATOM 721 N GLU A 46 3.952 -7.911 1.258 1.00 0.00 N ATOM 722 CA GLU A 46 2.730 -8.654 0.975 1.00 0.00 C ATOM 723 C GLU A 46 3.013 -9.836 0.052 1.00 0.00 C ATOM 724 O GLU A 46 2.575 -10.958 0.310 1.00 0.00 O ATOM 725 CB GLU A 46 1.683 -7.735 0.341 1.00 0.00 C ATOM 726 CG GLU A 46 0.336 -8.405 0.128 1.00 0.00 C ATOM 727 CD GLU A 46 -0.828 -7.465 0.379 1.00 0.00 C ATOM 728 OE1 GLU A 46 -0.662 -6.245 0.166 1.00 0.00 O ATOM 729 OE2 GLU A 46 -1.903 -7.949 0.791 1.00 0.00 O ATOM 0 H GLU A 46 3.958 -6.956 0.900 1.00 0.00 H new ATOM 0 HA GLU A 46 2.342 -9.038 1.918 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.548 -6.859 0.976 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.058 -7.378 -0.618 1.00 0.00 H new ATOM 0 HG2 GLU A 46 0.280 -8.783 -0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.253 -9.266 0.792 1.00 0.00 H new ATOM 736 N LYS A 47 3.746 -9.575 -1.023 1.00 0.00 N ATOM 737 CA LYS A 47 4.090 -10.615 -1.986 1.00 0.00 C ATOM 738 C LYS A 47 4.928 -11.708 -1.332 1.00 0.00 C ATOM 739 O LYS A 47 4.654 -12.898 -1.493 1.00 0.00 O ATOM 740 CB LYS A 47 4.851 -10.014 -3.170 1.00 0.00 C ATOM 741 CG LYS A 47 3.954 -9.332 -4.187 1.00 0.00 C ATOM 742 CD LYS A 47 4.765 -8.643 -5.273 1.00 0.00 C ATOM 743 CE LYS A 47 4.097 -8.771 -6.633 1.00 0.00 C ATOM 744 NZ LYS A 47 2.745 -8.145 -6.648 1.00 0.00 N ATOM 0 H LYS A 47 4.114 -8.651 -1.251 1.00 0.00 H new ATOM 0 HA LYS A 47 3.163 -11.060 -2.347 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.576 -9.292 -2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.415 -10.803 -3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.290 -10.068 -4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.322 -8.600 -3.684 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.887 -7.589 -5.024 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.763 -9.078 -5.314 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.723 -8.301 -7.391 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.012 -9.825 -6.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.379 -8.132 -7.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.101 -8.694 -6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.809 -7.171 -6.290 1.00 0.00 H new ATOM 758 N THR A 48 5.952 -11.297 -0.589 1.00 0.00 N ATOM 759 CA THR A 48 6.830 -12.240 0.091 1.00 0.00 C ATOM 760 C THR A 48 6.061 -13.068 1.114 1.00 0.00 C ATOM 761 O THR A 48 6.315 -14.261 1.278 1.00 0.00 O ATOM 762 CB THR A 48 7.989 -11.517 0.802 1.00 0.00 C ATOM 763 OG1 THR A 48 8.755 -10.767 -0.149 1.00 0.00 O ATOM 764 CG2 THR A 48 8.893 -12.512 1.514 1.00 0.00 C ATOM 0 H THR A 48 6.193 -10.317 -0.444 1.00 0.00 H new ATOM 0 HA THR A 48 7.238 -12.900 -0.675 1.00 0.00 H new ATOM 0 HB THR A 48 7.565 -10.840 1.543 1.00 0.00 H new ATOM 0 HG1 THR A 48 8.298 -9.923 -0.344 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.704 -11.977 2.009 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.315 -13.062 2.257 1.00 0.00 H new ATOM 0 HG23 THR A 48 9.309 -13.210 0.788 1.00 0.00 H new ATOM 772 N ASN A 49 5.119 -12.429 1.799 1.00 0.00 N ATOM 773 CA ASN A 49 4.312 -13.108 2.805 1.00 0.00 C ATOM 774 C ASN A 49 3.441 -14.187 2.169 1.00 0.00 C ATOM 775 O ASN A 49 3.421 -15.331 2.623 1.00 0.00 O ATOM 776 CB ASN A 49 3.433 -12.100 3.549 1.00 0.00 C ATOM 777 CG ASN A 49 3.999 -11.728 4.905 1.00 0.00 C ATOM 778 OD1 ASN A 49 3.995 -12.534 5.835 1.00 0.00 O ATOM 779 ND2 ASN A 49 4.491 -10.499 5.024 1.00 0.00 N ATOM 0 H ASN A 49 4.896 -11.441 1.676 1.00 0.00 H new ATOM 0 HA ASN A 49 4.988 -13.585 3.515 1.00 0.00 H new ATOM 0 HB2 ASN A 49 3.326 -11.200 2.944 1.00 0.00 H new ATOM 0 HB3 ASN A 49 2.435 -12.518 3.678 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.886 -10.192 5.913 1.00 0.00 H new ATOM 0 HD22 ASN A 49 4.474 -9.863 4.226 1.00 0.00 H new ATOM 786 N ILE A 50 2.723 -13.814 1.114 1.00 0.00 N ATOM 787 CA ILE A 50 1.853 -14.750 0.415 1.00 0.00 C ATOM 788 C ILE A 50 2.649 -15.916 -0.162 1.00 0.00 C ATOM 789 O ILE A 50 2.250 -17.075 -0.040 1.00 0.00 O ATOM 790 CB ILE A 50 1.082 -14.057 -0.724 1.00 0.00 C ATOM 791 CG1 ILE A 50 0.235 -12.909 -0.172 1.00 0.00 C ATOM 792 CG2 ILE A 50 0.205 -15.062 -1.459 1.00 0.00 C ATOM 793 CD1 ILE A 50 -0.167 -11.896 -1.221 1.00 0.00 C ATOM 0 H ILE A 50 2.727 -12.871 0.726 1.00 0.00 H new ATOM 0 HA ILE A 50 1.141 -15.127 1.149 1.00 0.00 H new ATOM 0 HB ILE A 50 1.802 -13.646 -1.431 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.664 -13.320 0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.793 -12.403 0.616 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -0.333 -14.557 -2.261 1.00 0.00 H new ATOM 0 HG22 ILE A 50 0.829 -15.850 -1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.509 -15.500 -0.762 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.765 -11.111 -0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.727 -11.457 -1.664 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.753 -12.389 -1.997 1.00 0.00 H new ATOM 805 N VAL A 51 3.779 -15.602 -0.788 1.00 0.00 N ATOM 806 CA VAL A 51 4.633 -16.623 -1.381 1.00 0.00 C ATOM 807 C VAL A 51 5.222 -17.536 -0.310 1.00 0.00 C ATOM 808 O VAL A 51 5.280 -18.754 -0.481 1.00 0.00 O ATOM 809 CB VAL A 51 5.782 -15.993 -2.191 1.00 0.00 C ATOM 810 CG1 VAL A 51 6.681 -17.074 -2.773 1.00 0.00 C ATOM 811 CG2 VAL A 51 5.229 -15.099 -3.291 1.00 0.00 C ATOM 0 H VAL A 51 4.124 -14.648 -0.897 1.00 0.00 H new ATOM 0 HA VAL A 51 4.006 -17.211 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 51 6.382 -15.378 -1.520 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.487 -16.610 -3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.104 -17.670 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.097 -17.718 -3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.054 -14.662 -3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.606 -15.690 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.631 -14.303 -2.847 1.00 0.00 H new ATOM 821 N ARG A 52 5.658 -16.938 0.794 1.00 0.00 N ATOM 822 CA ARG A 52 6.244 -17.698 1.892 1.00 0.00 C ATOM 823 C ARG A 52 5.236 -18.690 2.465 1.00 0.00 C ATOM 824 O ARG A 52 5.548 -19.864 2.659 1.00 0.00 O ATOM 825 CB ARG A 52 6.727 -16.752 2.993 1.00 0.00 C ATOM 826 CG ARG A 52 8.109 -16.173 2.737 1.00 0.00 C ATOM 827 CD ARG A 52 9.181 -16.929 3.506 1.00 0.00 C ATOM 828 NE ARG A 52 9.147 -16.625 4.934 1.00 0.00 N ATOM 829 CZ ARG A 52 9.862 -17.281 5.841 1.00 0.00 C ATOM 830 NH1 ARG A 52 10.661 -18.273 5.471 1.00 0.00 N ATOM 831 NH2 ARG A 52 9.779 -16.945 7.122 1.00 0.00 N ATOM 0 H ARG A 52 5.617 -15.931 0.952 1.00 0.00 H new ATOM 0 HA ARG A 52 7.095 -18.256 1.502 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.014 -15.934 3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.737 -17.288 3.942 1.00 0.00 H new ATOM 0 HG2 ARG A 52 8.329 -16.212 1.670 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.124 -15.122 3.027 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.044 -18.000 3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.162 -16.675 3.105 1.00 0.00 H new ATOM 0 HE ARG A 52 8.542 -15.868 5.252 1.00 0.00 H new ATOM 0 HH11 ARG A 52 10.728 -18.534 4.487 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.209 -18.775 6.170 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.166 -16.183 7.411 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.328 -17.449 7.818 1.00 0.00 H new ATOM 845 N ASN A 53 4.028 -18.209 2.735 1.00 0.00 N ATOM 846 CA ASN A 53 2.974 -19.054 3.286 1.00 0.00 C ATOM 847 C ASN A 53 2.614 -20.177 2.318 1.00 0.00 C ATOM 848 O ASN A 53 2.536 -21.342 2.705 1.00 0.00 O ATOM 849 CB ASN A 53 1.732 -18.217 3.599 1.00 0.00 C ATOM 850 CG ASN A 53 0.628 -19.037 4.238 1.00 0.00 C ATOM 851 OD1 ASN A 53 0.469 -19.040 5.459 1.00 0.00 O ATOM 852 ND2 ASN A 53 -0.140 -19.739 3.413 1.00 0.00 N ATOM 0 H ASN A 53 3.754 -17.239 2.582 1.00 0.00 H new ATOM 0 HA ASN A 53 3.346 -19.500 4.209 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.007 -17.400 4.266 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.360 -17.766 2.679 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -0.898 -20.311 3.785 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.028 -19.706 2.408 1.00 0.00 H new ATOM 859 N GLU A 54 2.396 -19.816 1.057 1.00 0.00 N ATOM 860 CA GLU A 54 2.044 -20.794 0.034 1.00 0.00 C ATOM 861 C GLU A 54 3.155 -21.826 -0.136 1.00 0.00 C ATOM 862 O GLU A 54 2.900 -23.031 -0.165 1.00 0.00 O ATOM 863 CB GLU A 54 1.774 -20.094 -1.300 1.00 0.00 C ATOM 864 CG GLU A 54 0.296 -19.958 -1.627 1.00 0.00 C ATOM 865 CD GLU A 54 0.020 -18.856 -2.631 1.00 0.00 C ATOM 866 OE1 GLU A 54 0.503 -18.965 -3.778 1.00 0.00 O ATOM 867 OE2 GLU A 54 -0.678 -17.886 -2.272 1.00 0.00 O ATOM 0 H GLU A 54 2.457 -18.855 0.720 1.00 0.00 H new ATOM 0 HA GLU A 54 1.139 -21.309 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.226 -19.102 -1.278 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.265 -20.650 -2.099 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.074 -20.905 -2.021 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.258 -19.756 -0.710 1.00 0.00 H new ATOM 874 N THR A 55 4.390 -21.346 -0.252 1.00 0.00 N ATOM 875 CA THR A 55 5.539 -22.225 -0.421 1.00 0.00 C ATOM 876 C THR A 55 5.654 -23.209 0.737 1.00 0.00 C ATOM 877 O THR A 55 5.896 -24.398 0.531 1.00 0.00 O ATOM 878 CB THR A 55 6.850 -21.422 -0.530 1.00 0.00 C ATOM 879 OG1 THR A 55 6.792 -20.541 -1.658 1.00 0.00 O ATOM 880 CG2 THR A 55 8.044 -22.352 -0.668 1.00 0.00 C ATOM 0 H THR A 55 4.619 -20.352 -0.232 1.00 0.00 H new ATOM 0 HA THR A 55 5.381 -22.776 -1.348 1.00 0.00 H new ATOM 0 HB THR A 55 6.969 -20.837 0.382 1.00 0.00 H new ATOM 0 HG1 THR A 55 6.414 -19.680 -1.382 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.958 -21.762 -0.743 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.102 -23.001 0.205 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.930 -22.960 -1.565 1.00 0.00 H new ATOM 888 N ASN A 56 5.479 -22.707 1.954 1.00 0.00 N ATOM 889 CA ASN A 56 5.564 -23.543 3.146 1.00 0.00 C ATOM 890 C ASN A 56 4.442 -24.576 3.167 1.00 0.00 C ATOM 891 O ASN A 56 4.651 -25.727 3.549 1.00 0.00 O ATOM 892 CB ASN A 56 5.499 -22.678 4.407 1.00 0.00 C ATOM 893 CG ASN A 56 6.840 -22.574 5.106 1.00 0.00 C ATOM 894 OD1 ASN A 56 7.705 -21.798 4.700 1.00 0.00 O ATOM 895 ND2 ASN A 56 7.018 -23.356 6.164 1.00 0.00 N ATOM 0 H ASN A 56 5.277 -21.725 2.141 1.00 0.00 H new ATOM 0 HA ASN A 56 6.518 -24.069 3.123 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.152 -21.679 4.142 1.00 0.00 H new ATOM 0 HB3 ASN A 56 4.765 -23.098 5.095 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.900 -23.329 6.676 1.00 0.00 H new ATOM 0 HD22 ASN A 56 6.273 -23.984 6.465 1.00 0.00 H new ATOM 902 N ASN A 57 3.251 -24.158 2.749 1.00 0.00 N ATOM 903 CA ASN A 57 2.095 -25.046 2.720 1.00 0.00 C ATOM 904 C ASN A 57 2.285 -26.150 1.683 1.00 0.00 C ATOM 905 O ASN A 57 2.242 -27.337 2.010 1.00 0.00 O ATOM 906 CB ASN A 57 0.824 -24.254 2.410 1.00 0.00 C ATOM 907 CG ASN A 57 -0.400 -25.143 2.302 1.00 0.00 C ATOM 908 OD1 ASN A 57 -0.924 -25.367 1.212 1.00 0.00 O ATOM 909 ND2 ASN A 57 -0.861 -25.654 3.438 1.00 0.00 N ATOM 0 H ASN A 57 3.062 -23.209 2.426 1.00 0.00 H new ATOM 0 HA ASN A 57 1.997 -25.506 3.703 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.662 -23.511 3.191 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.958 -23.709 1.475 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.682 -26.259 3.429 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.394 -25.441 4.320 1.00 0.00 H new ATOM 916 N ILE A 58 2.495 -25.751 0.433 1.00 0.00 N ATOM 917 CA ILE A 58 2.693 -26.705 -0.650 1.00 0.00 C ATOM 918 C ILE A 58 3.865 -27.635 -0.356 1.00 0.00 C ATOM 919 O ILE A 58 3.791 -28.841 -0.596 1.00 0.00 O ATOM 920 CB ILE A 58 2.943 -25.991 -1.991 1.00 0.00 C ATOM 921 CG1 ILE A 58 1.769 -25.071 -2.331 1.00 0.00 C ATOM 922 CG2 ILE A 58 3.165 -27.008 -3.100 1.00 0.00 C ATOM 923 CD1 ILE A 58 0.469 -25.811 -2.557 1.00 0.00 C ATOM 0 H ILE A 58 2.532 -24.773 0.146 1.00 0.00 H new ATOM 0 HA ILE A 58 1.777 -27.291 -0.725 1.00 0.00 H new ATOM 0 HB ILE A 58 3.842 -25.382 -1.899 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.634 -24.353 -1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 58 2.013 -24.499 -3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.340 -26.487 -4.041 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.031 -27.625 -2.860 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.283 -27.642 -3.195 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.320 -25.097 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.587 -26.509 -3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.202 -26.361 -1.655 1.00 0.00 H new ATOM 935 N ASP A 59 4.947 -27.068 0.167 1.00 0.00 N ATOM 936 CA ASP A 59 6.135 -27.847 0.497 1.00 0.00 C ATOM 937 C ASP A 59 5.842 -28.835 1.621 1.00 0.00 C ATOM 938 O ASP A 59 6.297 -29.977 1.590 1.00 0.00 O ATOM 939 CB ASP A 59 7.281 -26.919 0.902 1.00 0.00 C ATOM 940 CG ASP A 59 8.489 -27.680 1.413 1.00 0.00 C ATOM 941 OD1 ASP A 59 8.440 -28.169 2.560 1.00 0.00 O ATOM 942 OD2 ASP A 59 9.484 -27.786 0.665 1.00 0.00 O ATOM 0 H ASP A 59 5.026 -26.072 0.371 1.00 0.00 H new ATOM 0 HA ASP A 59 6.429 -28.410 -0.389 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.573 -26.312 0.045 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.934 -26.233 1.675 1.00 0.00 H new ATOM 947 N GLY A 60 5.079 -28.386 2.614 1.00 0.00 N ATOM 948 CA GLY A 60 4.739 -29.243 3.734 1.00 0.00 C ATOM 949 C GLY A 60 3.778 -30.350 3.347 1.00 0.00 C ATOM 950 O GLY A 60 3.903 -31.480 3.815 1.00 0.00 O ATOM 0 H GLY A 60 4.691 -27.444 2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.650 -29.683 4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 60 4.294 -28.641 4.526 1.00 0.00 H new ATOM 954 N ASN A 61 2.816 -30.023 2.491 1.00 0.00 N ATOM 955 CA ASN A 61 1.829 -30.998 2.042 1.00 0.00 C ATOM 956 C ASN A 61 2.470 -32.046 1.138 1.00 0.00 C ATOM 957 O ASN A 61 2.246 -33.245 1.302 1.00 0.00 O ATOM 958 CB ASN A 61 0.689 -30.296 1.300 1.00 0.00 C ATOM 959 CG ASN A 61 -0.473 -29.958 2.214 1.00 0.00 C ATOM 960 OD1 ASN A 61 -1.625 -30.275 1.916 1.00 0.00 O ATOM 961 ND2 ASN A 61 -0.175 -29.309 3.334 1.00 0.00 N ATOM 0 H ASN A 61 2.699 -29.091 2.094 1.00 0.00 H new ATOM 0 HA ASN A 61 1.426 -31.501 2.921 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.066 -29.381 0.842 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.337 -30.936 0.491 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -0.915 -29.053 3.988 1.00 0.00 H new ATOM 0 HD22 ASN A 61 0.794 -29.066 3.540 1.00 0.00 H new ATOM 968 N PHE A 62 3.270 -31.584 0.181 1.00 0.00 N ATOM 969 CA PHE A 62 3.944 -32.481 -0.750 1.00 0.00 C ATOM 970 C PHE A 62 4.971 -33.347 -0.026 1.00 0.00 C ATOM 971 O PHE A 62 5.070 -34.549 -0.269 1.00 0.00 O ATOM 972 CB PHE A 62 4.629 -31.679 -1.858 1.00 0.00 C ATOM 973 CG PHE A 62 3.697 -31.268 -2.963 1.00 0.00 C ATOM 974 CD1 PHE A 62 2.546 -30.547 -2.686 1.00 0.00 C ATOM 975 CD2 PHE A 62 3.972 -31.603 -4.280 1.00 0.00 C ATOM 976 CE1 PHE A 62 1.687 -30.170 -3.700 1.00 0.00 C ATOM 977 CE2 PHE A 62 3.117 -31.228 -5.298 1.00 0.00 C ATOM 978 CZ PHE A 62 1.973 -30.509 -5.008 1.00 0.00 C ATOM 0 H PHE A 62 3.467 -30.594 0.031 1.00 0.00 H new ATOM 0 HA PHE A 62 3.192 -33.134 -1.194 1.00 0.00 H new ATOM 0 HB2 PHE A 62 5.081 -30.787 -1.424 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.439 -32.274 -2.279 1.00 0.00 H new ATOM 0 HD1 PHE A 62 2.318 -30.277 -1.665 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.865 -32.164 -4.513 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.792 -29.610 -3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.342 -31.496 -6.320 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.304 -30.213 -5.802 1.00 0.00 H new ATOM 988 N LYS A 63 5.735 -32.725 0.867 1.00 0.00 N ATOM 989 CA LYS A 63 6.755 -33.436 1.629 1.00 0.00 C ATOM 990 C LYS A 63 6.122 -34.485 2.538 1.00 0.00 C ATOM 991 O LYS A 63 6.578 -35.627 2.594 1.00 0.00 O ATOM 992 CB LYS A 63 7.576 -32.450 2.465 1.00 0.00 C ATOM 993 CG LYS A 63 8.674 -33.111 3.279 1.00 0.00 C ATOM 994 CD LYS A 63 9.957 -32.297 3.249 1.00 0.00 C ATOM 995 CE LYS A 63 11.105 -33.042 3.913 1.00 0.00 C ATOM 996 NZ LYS A 63 10.778 -33.431 5.312 1.00 0.00 N ATOM 0 H LYS A 63 5.667 -31.730 1.080 1.00 0.00 H new ATOM 0 HA LYS A 63 7.414 -33.942 0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.023 -31.709 1.802 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.908 -31.914 3.139 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.342 -33.231 4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.867 -34.110 2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.220 -32.068 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.797 -31.345 3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.342 -33.935 3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 63 11.996 -32.414 3.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.632 -33.798 5.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.430 -32.600 5.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.044 -34.167 5.305 1.00 0.00 H new ATOM 1010 N SER A 64 5.069 -34.091 3.247 1.00 0.00 N ATOM 1011 CA SER A 64 4.375 -34.997 4.154 1.00 0.00 C ATOM 1012 C SER A 64 3.711 -36.134 3.383 1.00 0.00 C ATOM 1013 O SER A 64 3.749 -37.291 3.803 1.00 0.00 O ATOM 1014 CB SER A 64 3.327 -34.236 4.966 1.00 0.00 C ATOM 1015 OG SER A 64 2.811 -35.040 6.014 1.00 0.00 O ATOM 0 H SER A 64 4.678 -33.150 3.211 1.00 0.00 H new ATOM 0 HA SER A 64 5.111 -35.424 4.835 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.771 -33.332 5.382 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.514 -33.920 4.312 1.00 0.00 H new ATOM 0 HG SER A 64 2.144 -34.530 6.519 1.00 0.00 H new ATOM 1021 N LYS A 65 3.101 -35.797 2.252 1.00 0.00 N ATOM 1022 CA LYS A 65 2.428 -36.787 1.420 1.00 0.00 C ATOM 1023 C LYS A 65 3.429 -37.784 0.845 1.00 0.00 C ATOM 1024 O LYS A 65 3.212 -38.996 0.898 1.00 0.00 O ATOM 1025 CB LYS A 65 1.669 -36.098 0.284 1.00 0.00 C ATOM 1026 CG LYS A 65 0.820 -37.047 -0.544 1.00 0.00 C ATOM 1027 CD LYS A 65 -0.538 -37.283 0.096 1.00 0.00 C ATOM 1028 CE LYS A 65 -1.528 -36.190 -0.278 1.00 0.00 C ATOM 1029 NZ LYS A 65 -2.062 -35.491 0.923 1.00 0.00 N ATOM 0 H LYS A 65 3.059 -34.844 1.890 1.00 0.00 H new ATOM 0 HA LYS A 65 1.719 -37.329 2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.028 -35.323 0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.385 -35.600 -0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 65 0.685 -36.637 -1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.340 -37.998 -0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.927 -38.251 -0.220 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -0.429 -37.321 1.180 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.041 -35.467 -0.932 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.353 -36.625 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.733 -34.754 0.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.549 -36.176 1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.278 -35.054 1.448 1.00 0.00 H new ATOM 1043 N LEU A 66 4.523 -37.268 0.297 1.00 0.00 N ATOM 1044 CA LEU A 66 5.558 -38.115 -0.287 1.00 0.00 C ATOM 1045 C LEU A 66 6.166 -39.036 0.765 1.00 0.00 C ATOM 1046 O LEU A 66 6.364 -40.227 0.524 1.00 0.00 O ATOM 1047 CB LEU A 66 6.652 -37.253 -0.920 1.00 0.00 C ATOM 1048 CG LEU A 66 6.592 -37.102 -2.440 1.00 0.00 C ATOM 1049 CD1 LEU A 66 5.307 -36.404 -2.857 1.00 0.00 C ATOM 1050 CD2 LEU A 66 7.805 -36.337 -2.949 1.00 0.00 C ATOM 0 H LEU A 66 4.717 -36.268 0.244 1.00 0.00 H new ATOM 0 HA LEU A 66 5.096 -38.731 -1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.607 -36.259 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.620 -37.678 -0.655 1.00 0.00 H new ATOM 0 HG LEU A 66 6.602 -38.097 -2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.282 -36.305 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.450 -36.991 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.266 -35.414 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.745 -36.239 -4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 66 7.826 -35.346 -2.496 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.714 -36.877 -2.683 1.00 0.00 H new ATOM 1062 N LYS A 67 6.458 -38.478 1.935 1.00 0.00 N ATOM 1063 CA LYS A 67 7.041 -39.249 3.027 1.00 0.00 C ATOM 1064 C LYS A 67 6.050 -40.282 3.553 1.00 0.00 C ATOM 1065 O LYS A 67 6.436 -41.378 3.958 1.00 0.00 O ATOM 1066 CB LYS A 67 7.474 -38.318 4.162 1.00 0.00 C ATOM 1067 CG LYS A 67 8.245 -39.022 5.266 1.00 0.00 C ATOM 1068 CD LYS A 67 9.678 -38.525 5.348 1.00 0.00 C ATOM 1069 CE LYS A 67 10.567 -39.217 4.326 1.00 0.00 C ATOM 1070 NZ LYS A 67 11.786 -38.418 4.021 1.00 0.00 N ATOM 0 H LYS A 67 6.300 -37.494 2.152 1.00 0.00 H new ATOM 0 HA LYS A 67 7.916 -39.773 2.642 1.00 0.00 H new ATOM 0 HB2 LYS A 67 8.092 -37.520 3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.590 -37.847 4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.746 -38.858 6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.241 -40.097 5.085 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.701 -37.448 5.182 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.069 -38.701 6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.860 -40.197 4.703 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.003 -39.384 3.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.366 -38.923 3.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 11.507 -37.492 3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.337 -38.280 4.892 1.00 0.00 H new ATOM 1084 N LYS A 68 4.769 -39.925 3.544 1.00 0.00 N ATOM 1085 CA LYS A 68 3.722 -40.822 4.016 1.00 0.00 C ATOM 1086 C LYS A 68 3.572 -42.022 3.088 1.00 0.00 C ATOM 1087 O LYS A 68 3.440 -43.158 3.542 1.00 0.00 O ATOM 1088 CB LYS A 68 2.389 -40.074 4.118 1.00 0.00 C ATOM 1089 CG LYS A 68 2.207 -39.333 5.432 1.00 0.00 C ATOM 1090 CD LYS A 68 1.209 -40.039 6.335 1.00 0.00 C ATOM 1091 CE LYS A 68 0.445 -39.048 7.200 1.00 0.00 C ATOM 1092 NZ LYS A 68 0.008 -39.656 8.488 1.00 0.00 N ATOM 0 H LYS A 68 4.432 -39.020 3.215 1.00 0.00 H new ATOM 0 HA LYS A 68 4.007 -41.183 5.004 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.318 -39.362 3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.572 -40.785 3.995 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.167 -39.252 5.942 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.865 -38.317 5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.507 -40.610 5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.733 -40.752 6.972 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.075 -38.182 7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.427 -38.687 6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -0.509 -38.948 9.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -0.614 -40.467 8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.841 -39.978 9.021 1.00 0.00 H new ATOM 1106 N ALA A 69 3.595 -41.762 1.784 1.00 0.00 N ATOM 1107 CA ALA A 69 3.467 -42.822 0.791 1.00 0.00 C ATOM 1108 C ALA A 69 4.575 -43.859 0.948 1.00 0.00 C ATOM 1109 O ALA A 69 4.376 -45.040 0.666 1.00 0.00 O ATOM 1110 CB ALA A 69 3.483 -42.236 -0.612 1.00 0.00 C ATOM 0 H ALA A 69 3.701 -40.827 1.391 1.00 0.00 H new ATOM 0 HA ALA A 69 2.512 -43.323 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 69 3.387 -43.039 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.651 -41.540 -0.725 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.422 -41.708 -0.775 1.00 0.00 H new