USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 672 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 14 ASN : amide:sc=-0.00136 X(o=-0.0014,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0735 X(o=-0.073,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.297 K(o=-0.3,f=-3.4!) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0359 USER MOD Single : A 36 LYS NZ :NH3+ -111:sc= 0.0775 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=-0.18) USER MOD Single : A 43 THR OG1 : rot -54:sc= 1.16 USER MOD Single : A 44 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.25) USER MOD Single : A 46 HIS : no HD1:sc= -0.0423 X(o=-0.042,f=-0.002) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.423 K(o=-0.42,f=-2.2!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= 0 (180deg=-1.25) USER MOD Single : A 66 SER OG : rot -82:sc= 0.349 USER MOD Single : A 67 MET CE :methyl -114:sc= -2.5! (180deg=-6.24!) USER MOD Single : A 68 TYR OH : rot 180:sc= -0.864 USER MOD Single : A 71 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.7!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 65:sc= -2.72! USER MOD Single : A 84 MET CE :methyl -118:sc= -1.94 (180deg=-2.55!) USER MOD Single : A 85 ASN : amide:sc= -0.182 K(o=-0.18,f=-1.4!) USER MOD Single : A 87 MET CE :methyl 135:sc= -0.0043 (180deg=-0.743) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -0.163 K(o=-0.16,f=-2.5!) USER MOD Single : A 95 GLN : amide:sc= -0.0359 X(o=-0.036,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 148 N ALA A 13 -8.180 3.172 8.013 1.00 0.00 N ATOM 149 CA ALA A 13 -7.010 3.877 8.525 1.00 0.00 C ATOM 150 C ALA A 13 -7.124 5.378 8.286 1.00 0.00 C ATOM 151 O ALA A 13 -8.008 5.836 7.561 1.00 0.00 O ATOM 152 CB ALA A 13 -5.744 3.333 7.881 1.00 0.00 C ATOM 0 HA ALA A 13 -6.959 3.711 9.601 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.878 3.868 8.272 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.648 2.271 8.108 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.798 3.470 6.801 1.00 0.00 H new ATOM 158 N ASN A 14 -6.224 6.140 8.899 1.00 0.00 N ATOM 159 CA ASN A 14 -6.223 7.591 8.751 1.00 0.00 C ATOM 160 C ASN A 14 -4.976 8.063 8.012 1.00 0.00 C ATOM 161 O ASN A 14 -5.037 8.983 7.195 1.00 0.00 O ATOM 162 CB ASN A 14 -6.301 8.264 10.124 1.00 0.00 C ATOM 163 CG ASN A 14 -6.965 9.626 10.063 1.00 0.00 C ATOM 164 OD1 ASN A 14 -8.117 9.786 10.464 1.00 0.00 O ATOM 165 ND2 ASN A 14 -6.238 10.617 9.560 1.00 0.00 N ATOM 0 H ASN A 14 -5.486 5.777 9.503 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.098 7.871 8.165 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.856 7.623 10.809 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.295 8.371 10.531 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.631 11.556 9.495 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.286 10.439 9.239 1.00 0.00 H new ATOM 172 N SER A 15 -3.845 7.428 8.302 1.00 0.00 N ATOM 173 CA SER A 15 -2.582 7.782 7.664 1.00 0.00 C ATOM 174 C SER A 15 -2.091 6.651 6.764 1.00 0.00 C ATOM 175 O SER A 15 -2.437 5.487 6.973 1.00 0.00 O ATOM 176 CB SER A 15 -1.525 8.105 8.721 1.00 0.00 C ATOM 177 OG SER A 15 -0.947 6.921 9.243 1.00 0.00 O ATOM 0 H SER A 15 -3.777 6.665 8.975 1.00 0.00 H new ATOM 0 HA SER A 15 -2.750 8.665 7.048 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.747 8.730 8.283 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.978 8.679 9.529 1.00 0.00 H new ATOM 0 HG SER A 15 -0.273 7.155 9.915 1.00 0.00 H new ATOM 183 N PRO A 16 -1.275 6.978 5.747 1.00 0.00 N ATOM 184 CA PRO A 16 -0.736 5.981 4.815 1.00 0.00 C ATOM 185 C PRO A 16 0.258 5.039 5.485 1.00 0.00 C ATOM 186 O PRO A 16 0.432 3.897 5.057 1.00 0.00 O ATOM 187 CB PRO A 16 -0.035 6.828 3.750 1.00 0.00 C ATOM 188 CG PRO A 16 0.294 8.108 4.436 1.00 0.00 C ATOM 189 CD PRO A 16 -0.812 8.342 5.427 1.00 0.00 C ATOM 0 HA PRO A 16 -1.517 5.334 4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.864 6.335 3.381 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.682 6.996 2.889 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.260 8.045 4.937 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.358 8.929 3.721 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -0.453 8.864 6.314 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.611 8.949 5.002 1.00 0.00 H new ATOM 197 N GLN A 17 0.907 5.522 6.539 1.00 0.00 N ATOM 198 CA GLN A 17 1.883 4.721 7.269 1.00 0.00 C ATOM 199 C GLN A 17 1.241 3.459 7.833 1.00 0.00 C ATOM 200 O GLN A 17 1.885 2.416 7.941 1.00 0.00 O ATOM 201 CB GLN A 17 2.502 5.542 8.402 1.00 0.00 C ATOM 202 CG GLN A 17 3.522 6.564 7.928 1.00 0.00 C ATOM 203 CD GLN A 17 4.420 7.055 9.045 1.00 0.00 C ATOM 204 OE1 GLN A 17 4.455 8.247 9.352 1.00 0.00 O ATOM 205 NE2 GLN A 17 5.153 6.135 9.663 1.00 0.00 N ATOM 0 H GLN A 17 0.775 6.464 6.907 1.00 0.00 H new ATOM 0 HA GLN A 17 2.667 4.426 6.572 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.707 6.058 8.941 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.981 4.865 9.110 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.135 6.122 7.142 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.001 7.413 7.486 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.093 5.158 9.376 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.776 6.406 10.424 1.00 0.00 H new ATOM 214 N GLU A 18 -0.036 3.561 8.191 1.00 0.00 N ATOM 215 CA GLU A 18 -0.767 2.427 8.744 1.00 0.00 C ATOM 216 C GLU A 18 -1.481 1.649 7.642 1.00 0.00 C ATOM 217 O GLU A 18 -1.419 0.420 7.598 1.00 0.00 O ATOM 218 CB GLU A 18 -1.781 2.907 9.783 1.00 0.00 C ATOM 219 CG GLU A 18 -2.373 1.785 10.620 1.00 0.00 C ATOM 220 CD GLU A 18 -3.217 2.298 11.771 1.00 0.00 C ATOM 221 OE1 GLU A 18 -3.888 3.337 11.597 1.00 0.00 O ATOM 222 OE2 GLU A 18 -3.207 1.660 12.845 1.00 0.00 O ATOM 0 H GLU A 18 -0.585 4.417 8.108 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.049 1.763 9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.298 3.626 10.444 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.588 3.434 9.274 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.984 1.145 9.983 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.567 1.166 11.013 1.00 0.00 H new ATOM 229 N ALA A 19 -2.156 2.373 6.756 1.00 0.00 N ATOM 230 CA ALA A 19 -2.880 1.750 5.655 1.00 0.00 C ATOM 231 C ALA A 19 -1.940 0.948 4.762 1.00 0.00 C ATOM 232 O ALA A 19 -2.314 -0.096 4.228 1.00 0.00 O ATOM 233 CB ALA A 19 -3.611 2.806 4.840 1.00 0.00 C ATOM 0 H ALA A 19 -2.217 3.391 6.779 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.611 1.062 6.078 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.147 2.327 4.021 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.320 3.333 5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.890 3.516 4.435 1.00 0.00 H new ATOM 239 N LEU A 20 -0.717 1.443 4.603 1.00 0.00 N ATOM 240 CA LEU A 20 0.277 0.772 3.773 1.00 0.00 C ATOM 241 C LEU A 20 0.747 -0.523 4.428 1.00 0.00 C ATOM 242 O LEU A 20 0.717 -1.589 3.813 1.00 0.00 O ATOM 243 CB LEU A 20 1.473 1.695 3.525 1.00 0.00 C ATOM 244 CG LEU A 20 2.612 1.074 2.715 1.00 0.00 C ATOM 245 CD1 LEU A 20 2.315 1.158 1.226 1.00 0.00 C ATOM 246 CD2 LEU A 20 3.930 1.764 3.036 1.00 0.00 C ATOM 0 H LEU A 20 -0.390 2.306 5.038 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.188 0.528 2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.123 2.587 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.867 2.020 4.488 1.00 0.00 H new ATOM 0 HG LEU A 20 2.697 0.023 2.989 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.136 0.711 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.392 0.620 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.203 2.203 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.730 1.310 2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 20 3.856 2.823 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.149 1.654 4.098 1.00 0.00 H new ATOM 258 N LEU A 21 1.182 -0.424 5.681 1.00 0.00 N ATOM 259 CA LEU A 21 1.658 -1.589 6.419 1.00 0.00 C ATOM 260 C LEU A 21 0.552 -2.628 6.568 1.00 0.00 C ATOM 261 O LEU A 21 0.818 -3.829 6.616 1.00 0.00 O ATOM 262 CB LEU A 21 2.170 -1.169 7.799 1.00 0.00 C ATOM 263 CG LEU A 21 2.648 -2.318 8.688 1.00 0.00 C ATOM 264 CD1 LEU A 21 3.893 -2.964 8.101 1.00 0.00 C ATOM 265 CD2 LEU A 21 2.918 -1.820 10.100 1.00 0.00 C ATOM 0 H LEU A 21 1.215 0.450 6.206 1.00 0.00 H new ATOM 0 HA LEU A 21 2.477 -2.036 5.856 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.992 -0.466 7.666 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.374 -0.635 8.318 1.00 0.00 H new ATOM 0 HG LEU A 21 1.861 -3.071 8.733 1.00 0.00 H new ATOM 0 HD11 LEU A 21 4.219 -3.779 8.747 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.667 -3.355 7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.687 -2.221 8.026 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.257 -2.650 10.720 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.688 -1.049 10.073 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.002 -1.404 10.520 1.00 0.00 H new ATOM 277 N TRP A 22 -0.688 -2.158 6.641 1.00 0.00 N ATOM 278 CA TRP A 22 -1.836 -3.046 6.784 1.00 0.00 C ATOM 279 C TRP A 22 -2.135 -3.765 5.473 1.00 0.00 C ATOM 280 O TRP A 22 -2.615 -4.899 5.470 1.00 0.00 O ATOM 281 CB TRP A 22 -3.065 -2.256 7.238 1.00 0.00 C ATOM 282 CG TRP A 22 -4.004 -3.056 8.089 1.00 0.00 C ATOM 283 CD1 TRP A 22 -4.062 -3.072 9.453 1.00 0.00 C ATOM 284 CD2 TRP A 22 -5.020 -3.956 7.633 1.00 0.00 C ATOM 285 NE1 TRP A 22 -5.051 -3.928 9.873 1.00 0.00 N ATOM 286 CE2 TRP A 22 -5.654 -4.483 8.775 1.00 0.00 C ATOM 287 CE3 TRP A 22 -5.456 -4.368 6.371 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -6.699 -5.398 8.691 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -6.494 -5.278 6.289 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.106 -5.784 7.443 1.00 0.00 C ATOM 0 H TRP A 22 -0.924 -1.166 6.604 1.00 0.00 H new ATOM 0 HA TRP A 22 -1.593 -3.793 7.540 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -2.738 -1.379 7.796 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -3.600 -1.894 6.360 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -3.424 -2.496 10.106 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -5.296 -4.119 10.844 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -4.991 -3.983 5.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -7.172 -5.790 9.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -6.839 -5.604 5.319 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -7.915 -6.493 7.346 1.00 0.00 H new ATOM 301 N ALA A 23 -1.849 -3.097 4.360 1.00 0.00 N ATOM 302 CA ALA A 23 -2.088 -3.671 3.041 1.00 0.00 C ATOM 303 C ALA A 23 -1.205 -4.892 2.806 1.00 0.00 C ATOM 304 O ALA A 23 -1.587 -5.818 2.091 1.00 0.00 O ATOM 305 CB ALA A 23 -1.848 -2.627 1.961 1.00 0.00 C ATOM 0 H ALA A 23 -1.451 -2.158 4.345 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.128 -3.994 2.994 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.030 -3.069 0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.525 -1.786 2.111 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.817 -2.277 2.016 1.00 0.00 H new ATOM 311 N LEU A 24 -0.021 -4.886 3.411 1.00 0.00 N ATOM 312 CA LEU A 24 0.916 -5.994 3.266 1.00 0.00 C ATOM 313 C LEU A 24 0.508 -7.171 4.145 1.00 0.00 C ATOM 314 O LEU A 24 0.496 -8.319 3.698 1.00 0.00 O ATOM 315 CB LEU A 24 2.332 -5.541 3.625 1.00 0.00 C ATOM 316 CG LEU A 24 2.876 -4.383 2.786 1.00 0.00 C ATOM 317 CD1 LEU A 24 4.285 -4.021 3.227 1.00 0.00 C ATOM 318 CD2 LEU A 24 2.853 -4.741 1.307 1.00 0.00 C ATOM 0 H LEU A 24 0.312 -4.127 4.006 1.00 0.00 H new ATOM 0 HA LEU A 24 0.898 -6.318 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.348 -5.247 4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.006 -6.392 3.522 1.00 0.00 H new ATOM 0 HG LEU A 24 2.235 -3.515 2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.656 -3.196 2.619 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.273 -3.723 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.938 -4.885 3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.243 -3.906 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.471 -5.623 1.136 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.829 -4.951 0.999 1.00 0.00 H new ATOM 330 N ASN A 25 0.177 -6.881 5.399 1.00 0.00 N ATOM 331 CA ASN A 25 -0.229 -7.916 6.342 1.00 0.00 C ATOM 332 C ASN A 25 -1.474 -8.646 5.848 1.00 0.00 C ATOM 333 O ASN A 25 -1.649 -9.838 6.104 1.00 0.00 O ATOM 334 CB ASN A 25 -0.495 -7.303 7.719 1.00 0.00 C ATOM 335 CG ASN A 25 0.743 -6.662 8.315 1.00 0.00 C ATOM 336 OD1 ASN A 25 1.713 -6.384 7.608 1.00 0.00 O ATOM 337 ND2 ASN A 25 0.717 -6.424 9.621 1.00 0.00 N ATOM 0 H ASN A 25 0.182 -5.937 5.786 1.00 0.00 H new ATOM 0 HA ASN A 25 0.584 -8.638 6.423 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.283 -6.555 7.635 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.861 -8.077 8.394 1.00 0.00 H new ATOM 0 HD21 ASN A 25 1.522 -5.994 10.077 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.108 -6.671 10.168 1.00 0.00 H new ATOM 344 N ASP A 26 -2.336 -7.925 5.140 1.00 0.00 N ATOM 345 CA ASP A 26 -3.564 -8.507 4.609 1.00 0.00 C ATOM 346 C ASP A 26 -3.257 -9.520 3.511 1.00 0.00 C ATOM 347 O ASP A 26 -3.998 -10.483 3.317 1.00 0.00 O ATOM 348 CB ASP A 26 -4.480 -7.409 4.067 1.00 0.00 C ATOM 349 CG ASP A 26 -5.947 -7.711 4.305 1.00 0.00 C ATOM 350 OD1 ASP A 26 -6.307 -8.030 5.458 1.00 0.00 O ATOM 351 OD2 ASP A 26 -6.736 -7.627 3.341 1.00 0.00 O ATOM 0 H ASP A 26 -2.208 -6.937 4.920 1.00 0.00 H new ATOM 0 HA ASP A 26 -4.072 -9.025 5.422 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -4.226 -6.461 4.540 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -4.305 -7.289 2.998 1.00 0.00 H new ATOM 356 N LEU A 27 -2.159 -9.296 2.796 1.00 0.00 N ATOM 357 CA LEU A 27 -1.755 -10.189 1.717 1.00 0.00 C ATOM 358 C LEU A 27 -1.304 -11.538 2.267 1.00 0.00 C ATOM 359 O LEU A 27 -0.664 -11.609 3.317 1.00 0.00 O ATOM 360 CB LEU A 27 -0.625 -9.557 0.900 1.00 0.00 C ATOM 361 CG LEU A 27 -1.041 -8.375 0.025 1.00 0.00 C ATOM 362 CD1 LEU A 27 0.184 -7.649 -0.510 1.00 0.00 C ATOM 363 CD2 LEU A 27 -1.926 -8.846 -1.120 1.00 0.00 C ATOM 0 H LEU A 27 -1.534 -8.504 2.945 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.618 -10.350 1.070 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.156 -9.225 1.584 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.185 -10.324 0.263 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.612 -7.677 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.132 -6.811 -1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.780 -7.279 0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.783 -8.337 -1.107 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.213 -7.992 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.379 -9.564 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.821 -9.320 -0.717 1.00 0.00 H new ATOM 375 N GLU A 28 -1.643 -12.607 1.553 1.00 0.00 N ATOM 376 CA GLU A 28 -1.272 -13.954 1.970 1.00 0.00 C ATOM 377 C GLU A 28 0.105 -14.330 1.435 1.00 0.00 C ATOM 378 O GLU A 28 0.738 -13.551 0.721 1.00 0.00 O ATOM 379 CB GLU A 28 -2.314 -14.965 1.487 1.00 0.00 C ATOM 380 CG GLU A 28 -3.697 -14.742 2.075 1.00 0.00 C ATOM 381 CD GLU A 28 -4.359 -16.034 2.516 1.00 0.00 C ATOM 382 OE1 GLU A 28 -4.151 -17.066 1.846 1.00 0.00 O ATOM 383 OE2 GLU A 28 -5.084 -16.012 3.533 1.00 0.00 O ATOM 0 H GLU A 28 -2.174 -12.566 0.683 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.235 -13.973 3.059 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.378 -14.916 0.400 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.978 -15.970 1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.621 -14.068 2.928 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.327 -14.249 1.335 1.00 0.00 H new ATOM 390 N GLU A 29 0.564 -15.526 1.785 1.00 0.00 N ATOM 391 CA GLU A 29 1.868 -16.005 1.340 1.00 0.00 C ATOM 392 C GLU A 29 1.913 -16.133 -0.179 1.00 0.00 C ATOM 393 O GLU A 29 2.918 -15.807 -0.810 1.00 0.00 O ATOM 394 CB GLU A 29 2.186 -17.355 1.988 1.00 0.00 C ATOM 395 CG GLU A 29 3.627 -17.479 2.457 1.00 0.00 C ATOM 396 CD GLU A 29 3.837 -18.659 3.385 1.00 0.00 C ATOM 397 OE1 GLU A 29 3.377 -19.770 3.047 1.00 0.00 O ATOM 398 OE2 GLU A 29 4.463 -18.474 4.450 1.00 0.00 O ATOM 0 H GLU A 29 0.053 -16.182 2.376 1.00 0.00 H new ATOM 0 HA GLU A 29 2.619 -15.276 1.646 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.521 -17.506 2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.975 -18.151 1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.280 -17.582 1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.919 -16.562 2.969 1.00 0.00 H new ATOM 405 N ASN A 30 0.818 -16.612 -0.760 1.00 0.00 N ATOM 406 CA ASN A 30 0.732 -16.784 -2.206 1.00 0.00 C ATOM 407 C ASN A 30 0.653 -15.435 -2.914 1.00 0.00 C ATOM 408 O ASN A 30 1.117 -15.288 -4.044 1.00 0.00 O ATOM 409 CB ASN A 30 -0.487 -17.635 -2.568 1.00 0.00 C ATOM 410 CG ASN A 30 -0.537 -17.977 -4.044 1.00 0.00 C ATOM 411 OD1 ASN A 30 0.486 -17.968 -4.730 1.00 0.00 O ATOM 412 ND2 ASN A 30 -1.729 -18.281 -4.541 1.00 0.00 N ATOM 0 H ASN A 30 -0.022 -16.888 -0.252 1.00 0.00 H new ATOM 0 HA ASN A 30 1.636 -17.295 -2.539 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.470 -18.556 -1.985 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.395 -17.100 -2.291 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.824 -18.520 -5.528 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.550 -18.276 -3.936 1.00 0.00 H new ATOM 419 N SER A 31 0.060 -14.454 -2.242 1.00 0.00 N ATOM 420 CA SER A 31 -0.081 -13.116 -2.809 1.00 0.00 C ATOM 421 C SER A 31 1.195 -12.303 -2.614 1.00 0.00 C ATOM 422 O SER A 31 1.523 -11.441 -3.429 1.00 0.00 O ATOM 423 CB SER A 31 -1.265 -12.391 -2.168 1.00 0.00 C ATOM 424 OG SER A 31 -2.490 -12.792 -2.757 1.00 0.00 O ATOM 0 H SER A 31 -0.330 -14.559 -1.306 1.00 0.00 H new ATOM 0 HA SER A 31 -0.263 -13.220 -3.879 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.287 -12.600 -1.098 1.00 0.00 H new ATOM 0 HB3 SER A 31 -1.140 -11.314 -2.280 1.00 0.00 H new ATOM 0 HG SER A 31 -3.231 -12.315 -2.328 1.00 0.00 H new ATOM 430 N PHE A 32 1.909 -12.581 -1.528 1.00 0.00 N ATOM 431 CA PHE A 32 3.147 -11.873 -1.226 1.00 0.00 C ATOM 432 C PHE A 32 4.319 -12.461 -2.008 1.00 0.00 C ATOM 433 O PHE A 32 5.278 -11.760 -2.329 1.00 0.00 O ATOM 434 CB PHE A 32 3.438 -11.932 0.275 1.00 0.00 C ATOM 435 CG PHE A 32 3.910 -10.626 0.847 1.00 0.00 C ATOM 436 CD1 PHE A 32 3.090 -9.508 0.823 1.00 0.00 C ATOM 437 CD2 PHE A 32 5.172 -10.514 1.408 1.00 0.00 C ATOM 438 CE1 PHE A 32 3.521 -8.304 1.347 1.00 0.00 C ATOM 439 CE2 PHE A 32 5.608 -9.313 1.934 1.00 0.00 C ATOM 440 CZ PHE A 32 4.782 -8.207 1.904 1.00 0.00 C ATOM 0 H PHE A 32 1.651 -13.291 -0.843 1.00 0.00 H new ATOM 0 HA PHE A 32 3.023 -10.832 -1.525 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.535 -12.244 0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.194 -12.695 0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.103 -9.579 0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.823 -11.376 1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.873 -7.440 1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.594 -9.239 2.368 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.121 -7.268 2.315 1.00 0.00 H new ATOM 450 N LYS A 33 4.237 -13.754 -2.309 1.00 0.00 N ATOM 451 CA LYS A 33 5.291 -14.435 -3.050 1.00 0.00 C ATOM 452 C LYS A 33 5.508 -13.786 -4.415 1.00 0.00 C ATOM 453 O LYS A 33 6.586 -13.265 -4.701 1.00 0.00 O ATOM 454 CB LYS A 33 4.944 -15.916 -3.223 1.00 0.00 C ATOM 455 CG LYS A 33 5.966 -16.856 -2.602 1.00 0.00 C ATOM 456 CD LYS A 33 5.302 -18.092 -2.018 1.00 0.00 C ATOM 457 CE LYS A 33 6.301 -18.960 -1.269 1.00 0.00 C ATOM 458 NZ LYS A 33 6.027 -20.411 -1.458 1.00 0.00 N ATOM 0 H LYS A 33 3.451 -14.350 -2.050 1.00 0.00 H new ATOM 0 HA LYS A 33 6.216 -14.349 -2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.968 -16.107 -2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.857 -16.139 -4.286 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.693 -17.155 -3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.515 -16.333 -1.820 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.501 -17.791 -1.342 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.843 -18.672 -2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.310 -18.733 -1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.266 -18.719 -0.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.730 -20.968 -0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.074 -20.633 -1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.085 -20.646 -2.469 1.00 0.00 H new ATOM 472 N THR A 34 4.479 -13.825 -5.255 1.00 0.00 N ATOM 473 CA THR A 34 4.559 -13.242 -6.590 1.00 0.00 C ATOM 474 C THR A 34 4.694 -11.724 -6.516 1.00 0.00 C ATOM 475 O THR A 34 5.467 -11.124 -7.264 1.00 0.00 O ATOM 476 CB THR A 34 3.322 -13.617 -7.407 1.00 0.00 C ATOM 477 OG1 THR A 34 2.840 -14.894 -7.031 1.00 0.00 O ATOM 478 CG2 THR A 34 3.576 -13.643 -8.899 1.00 0.00 C ATOM 0 H THR A 34 3.580 -14.254 -5.035 1.00 0.00 H new ATOM 0 HA THR A 34 5.446 -13.642 -7.081 1.00 0.00 H new ATOM 0 HB THR A 34 2.588 -12.840 -7.193 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.048 -15.115 -7.564 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.658 -13.916 -9.420 1.00 0.00 H new ATOM 0 HG22 THR A 34 3.901 -12.657 -9.230 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.352 -14.375 -9.123 1.00 0.00 H new ATOM 486 N LEU A 35 3.939 -11.110 -5.612 1.00 0.00 N ATOM 487 CA LEU A 35 3.976 -9.661 -5.444 1.00 0.00 C ATOM 488 C LEU A 35 5.371 -9.194 -5.044 1.00 0.00 C ATOM 489 O LEU A 35 5.794 -8.095 -5.402 1.00 0.00 O ATOM 490 CB LEU A 35 2.958 -9.223 -4.389 1.00 0.00 C ATOM 491 CG LEU A 35 2.815 -7.709 -4.217 1.00 0.00 C ATOM 492 CD1 LEU A 35 1.622 -7.192 -5.008 1.00 0.00 C ATOM 493 CD2 LEU A 35 2.679 -7.349 -2.745 1.00 0.00 C ATOM 0 H LEU A 35 3.295 -11.592 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 35 3.720 -9.204 -6.400 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.984 -9.637 -4.651 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.241 -9.657 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 35 3.715 -7.232 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.536 -6.114 -4.874 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.762 -7.416 -6.066 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.712 -7.676 -4.652 1.00 0.00 H new ATOM 0 HD21 LEU A 35 2.578 -6.269 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.796 -7.837 -2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.565 -7.684 -2.205 1.00 0.00 H new ATOM 505 N LYS A 36 6.081 -10.035 -4.297 1.00 0.00 N ATOM 506 CA LYS A 36 7.429 -9.707 -3.847 1.00 0.00 C ATOM 507 C LYS A 36 8.350 -9.427 -5.030 1.00 0.00 C ATOM 508 O LYS A 36 9.032 -8.403 -5.070 1.00 0.00 O ATOM 509 CB LYS A 36 7.998 -10.849 -3.002 1.00 0.00 C ATOM 510 CG LYS A 36 7.754 -10.684 -1.511 1.00 0.00 C ATOM 511 CD LYS A 36 9.027 -10.290 -0.777 1.00 0.00 C ATOM 512 CE LYS A 36 8.761 -10.016 0.694 1.00 0.00 C ATOM 513 NZ LYS A 36 9.819 -10.596 1.567 1.00 0.00 N ATOM 0 H LYS A 36 5.745 -10.948 -3.991 1.00 0.00 H new ATOM 0 HA LYS A 36 7.370 -8.805 -3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.556 -11.789 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 36 9.071 -10.922 -3.180 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.989 -9.924 -1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.369 -11.617 -1.099 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.764 -11.087 -0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.456 -9.402 -1.242 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.704 -8.940 0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.793 -10.432 0.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.423 -11.387 2.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.604 -10.940 0.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.169 -9.866 2.220 1.00 0.00 H new ATOM 527 N PHE A 37 8.364 -10.344 -5.992 1.00 0.00 N ATOM 528 CA PHE A 37 9.203 -10.195 -7.177 1.00 0.00 C ATOM 529 C PHE A 37 8.767 -8.991 -8.007 1.00 0.00 C ATOM 530 O PHE A 37 9.587 -8.339 -8.652 1.00 0.00 O ATOM 531 CB PHE A 37 9.149 -11.466 -8.027 1.00 0.00 C ATOM 532 CG PHE A 37 10.491 -11.904 -8.537 1.00 0.00 C ATOM 533 CD1 PHE A 37 11.330 -11.007 -9.180 1.00 0.00 C ATOM 534 CD2 PHE A 37 10.916 -13.212 -8.374 1.00 0.00 C ATOM 535 CE1 PHE A 37 12.567 -11.406 -9.649 1.00 0.00 C ATOM 536 CE2 PHE A 37 12.151 -13.618 -8.841 1.00 0.00 C ATOM 537 CZ PHE A 37 12.978 -12.714 -9.479 1.00 0.00 C ATOM 0 H PHE A 37 7.805 -11.197 -5.975 1.00 0.00 H new ATOM 0 HA PHE A 37 10.229 -10.030 -6.848 1.00 0.00 H new ATOM 0 HB2 PHE A 37 8.714 -12.271 -7.435 1.00 0.00 H new ATOM 0 HB3 PHE A 37 8.484 -11.299 -8.874 1.00 0.00 H new ATOM 0 HD1 PHE A 37 11.013 -9.984 -9.316 1.00 0.00 H new ATOM 0 HD2 PHE A 37 10.274 -13.923 -7.876 1.00 0.00 H new ATOM 0 HE1 PHE A 37 13.211 -10.697 -10.147 1.00 0.00 H new ATOM 0 HE2 PHE A 37 12.470 -14.641 -8.707 1.00 0.00 H new ATOM 0 HZ PHE A 37 13.944 -13.029 -9.844 1.00 0.00 H new ATOM 547 N HIS A 38 7.470 -8.703 -7.984 1.00 0.00 N ATOM 548 CA HIS A 38 6.924 -7.578 -8.734 1.00 0.00 C ATOM 549 C HIS A 38 7.422 -6.248 -8.173 1.00 0.00 C ATOM 550 O HIS A 38 7.437 -5.236 -8.873 1.00 0.00 O ATOM 551 CB HIS A 38 5.394 -7.614 -8.705 1.00 0.00 C ATOM 552 CG HIS A 38 4.800 -8.587 -9.675 1.00 0.00 C ATOM 553 ND1 HIS A 38 5.098 -8.610 -11.020 1.00 0.00 N ATOM 554 CD2 HIS A 38 3.907 -9.589 -9.473 1.00 0.00 C ATOM 555 CE1 HIS A 38 4.391 -9.601 -11.581 1.00 0.00 C ATOM 556 NE2 HIS A 38 3.652 -10.227 -10.684 1.00 0.00 N ATOM 0 H HIS A 38 6.778 -9.233 -7.454 1.00 0.00 H new ATOM 0 HA HIS A 38 7.266 -7.665 -9.765 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.064 -7.870 -7.698 1.00 0.00 H new ATOM 0 HB3 HIS A 38 5.011 -6.617 -8.923 1.00 0.00 H new ATOM 0 HD2 HIS A 38 3.464 -9.850 -8.523 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.422 -9.854 -12.630 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.024 -11.015 -10.845 1.00 0.00 H new ATOM 564 N LEU A 39 7.828 -6.257 -6.905 1.00 0.00 N ATOM 565 CA LEU A 39 8.325 -5.050 -6.252 1.00 0.00 C ATOM 566 C LEU A 39 9.476 -4.431 -7.041 1.00 0.00 C ATOM 567 O LEU A 39 9.531 -3.216 -7.227 1.00 0.00 O ATOM 568 CB LEU A 39 8.784 -5.369 -4.829 1.00 0.00 C ATOM 569 CG LEU A 39 7.726 -6.026 -3.940 1.00 0.00 C ATOM 570 CD1 LEU A 39 8.287 -6.295 -2.552 1.00 0.00 C ATOM 571 CD2 LEU A 39 6.485 -5.153 -3.855 1.00 0.00 C ATOM 0 H LEU A 39 7.822 -7.086 -6.311 1.00 0.00 H new ATOM 0 HA LEU A 39 7.508 -4.329 -6.214 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.652 -6.027 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.113 -4.445 -4.354 1.00 0.00 H new ATOM 0 HG LEU A 39 7.445 -6.980 -4.387 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.520 -6.762 -1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.146 -6.961 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 39 8.597 -5.355 -2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.743 -5.636 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.750 -4.184 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.070 -5.012 -4.853 1.00 0.00 H new ATOM 583 N ARG A 40 10.393 -5.276 -7.502 1.00 0.00 N ATOM 584 CA ARG A 40 11.542 -4.810 -8.269 1.00 0.00 C ATOM 585 C ARG A 40 11.101 -4.173 -9.585 1.00 0.00 C ATOM 586 O ARG A 40 11.788 -3.308 -10.127 1.00 0.00 O ATOM 587 CB ARG A 40 12.500 -5.970 -8.548 1.00 0.00 C ATOM 588 CG ARG A 40 13.814 -5.537 -9.178 1.00 0.00 C ATOM 589 CD ARG A 40 14.519 -4.492 -8.329 1.00 0.00 C ATOM 590 NE ARG A 40 15.857 -4.190 -8.832 1.00 0.00 N ATOM 591 CZ ARG A 40 16.537 -3.090 -8.515 1.00 0.00 C ATOM 592 NH1 ARG A 40 16.010 -2.187 -7.698 1.00 0.00 N ATOM 593 NH2 ARG A 40 17.749 -2.893 -9.016 1.00 0.00 N ATOM 0 H ARG A 40 10.363 -6.285 -7.358 1.00 0.00 H new ATOM 0 HA ARG A 40 12.058 -4.054 -7.676 1.00 0.00 H new ATOM 0 HB2 ARG A 40 12.709 -6.490 -7.613 1.00 0.00 H new ATOM 0 HB3 ARG A 40 12.009 -6.685 -9.208 1.00 0.00 H new ATOM 0 HG2 ARG A 40 14.462 -6.404 -9.303 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.626 -5.133 -10.173 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.924 -3.579 -8.310 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.590 -4.848 -7.301 1.00 0.00 H new ATOM 0 HE ARG A 40 16.296 -4.861 -9.463 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.079 -2.333 -7.309 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.536 -1.347 -7.459 1.00 0.00 H new ATOM 0 HH21 ARG A 40 18.160 -3.584 -9.644 1.00 0.00 H new ATOM 0 HH22 ARG A 40 18.270 -2.051 -8.774 1.00 0.00 H new ATOM 607 N ASP A 41 9.953 -4.608 -10.095 1.00 0.00 N ATOM 608 CA ASP A 41 9.425 -4.082 -11.348 1.00 0.00 C ATOM 609 C ASP A 41 8.799 -2.705 -11.143 1.00 0.00 C ATOM 610 O ASP A 41 8.896 -1.834 -12.008 1.00 0.00 O ATOM 611 CB ASP A 41 8.389 -5.044 -11.933 1.00 0.00 C ATOM 612 CG ASP A 41 9.004 -6.040 -12.895 1.00 0.00 C ATOM 613 OD1 ASP A 41 10.014 -6.675 -12.527 1.00 0.00 O ATOM 614 OD2 ASP A 41 8.476 -6.185 -14.018 1.00 0.00 O ATOM 0 H ASP A 41 9.371 -5.323 -9.659 1.00 0.00 H new ATOM 0 HA ASP A 41 10.255 -3.982 -12.048 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.898 -5.582 -11.122 1.00 0.00 H new ATOM 0 HB3 ASP A 41 7.618 -4.473 -12.450 1.00 0.00 H new ATOM 619 N VAL A 42 8.155 -2.516 -9.996 1.00 0.00 N ATOM 620 CA VAL A 42 7.513 -1.245 -9.682 1.00 0.00 C ATOM 621 C VAL A 42 8.485 -0.287 -9.004 1.00 0.00 C ATOM 622 O VAL A 42 8.382 0.930 -9.159 1.00 0.00 O ATOM 623 CB VAL A 42 6.288 -1.445 -8.770 1.00 0.00 C ATOM 624 CG1 VAL A 42 5.156 -2.114 -9.535 1.00 0.00 C ATOM 625 CG2 VAL A 42 6.663 -2.258 -7.541 1.00 0.00 C ATOM 0 H VAL A 42 8.064 -3.226 -9.269 1.00 0.00 H new ATOM 0 HA VAL A 42 7.187 -0.815 -10.629 1.00 0.00 H new ATOM 0 HB VAL A 42 5.943 -0.466 -8.438 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.299 -2.247 -8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.869 -1.489 -10.380 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.488 -3.086 -9.899 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.784 -2.389 -6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.036 -3.234 -7.850 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.438 -1.735 -6.981 1.00 0.00 H new ATOM 635 N THR A 43 9.430 -0.841 -8.251 1.00 0.00 N ATOM 636 CA THR A 43 10.420 -0.033 -7.550 1.00 0.00 C ATOM 637 C THR A 43 11.835 -0.417 -7.972 1.00 0.00 C ATOM 638 O THR A 43 12.257 -1.560 -7.799 1.00 0.00 O ATOM 639 CB THR A 43 10.266 -0.198 -6.037 1.00 0.00 C ATOM 640 OG1 THR A 43 10.580 -1.523 -5.643 1.00 0.00 O ATOM 641 CG2 THR A 43 8.870 0.109 -5.540 1.00 0.00 C ATOM 0 H THR A 43 9.531 -1.846 -8.111 1.00 0.00 H new ATOM 0 HA THR A 43 10.251 1.011 -7.814 1.00 0.00 H new ATOM 0 HB THR A 43 10.957 0.520 -5.596 1.00 0.00 H new ATOM 0 HG1 THR A 43 10.041 -2.155 -6.163 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.830 -0.028 -4.459 1.00 0.00 H new ATOM 0 HG22 THR A 43 8.615 1.140 -5.785 1.00 0.00 H new ATOM 0 HG23 THR A 43 8.158 -0.564 -6.017 1.00 0.00 H new ATOM 649 N GLN A 44 12.563 0.547 -8.526 1.00 0.00 N ATOM 650 CA GLN A 44 13.932 0.311 -8.973 1.00 0.00 C ATOM 651 C GLN A 44 14.893 1.298 -8.320 1.00 0.00 C ATOM 652 O GLN A 44 15.232 2.328 -8.904 1.00 0.00 O ATOM 653 CB GLN A 44 14.020 0.426 -10.496 1.00 0.00 C ATOM 654 CG GLN A 44 13.586 -0.834 -11.228 1.00 0.00 C ATOM 655 CD GLN A 44 12.308 -0.638 -12.020 1.00 0.00 C ATOM 656 OE1 GLN A 44 12.341 -0.455 -13.236 1.00 0.00 O ATOM 657 NE2 GLN A 44 11.173 -0.675 -11.331 1.00 0.00 N ATOM 0 H GLN A 44 12.228 1.499 -8.676 1.00 0.00 H new ATOM 0 HA GLN A 44 14.217 -0.698 -8.675 1.00 0.00 H new ATOM 0 HB2 GLN A 44 13.400 1.259 -10.825 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.047 0.663 -10.775 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.382 -1.150 -11.902 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.442 -1.638 -10.506 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.193 -0.830 -10.323 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.281 -0.549 -11.810 1.00 0.00 H new ATOM 666 N PHE A 45 15.328 0.978 -7.106 1.00 0.00 N ATOM 667 CA PHE A 45 16.251 1.837 -6.373 1.00 0.00 C ATOM 668 C PHE A 45 17.586 1.135 -6.149 1.00 0.00 C ATOM 669 O PHE A 45 18.621 1.572 -6.655 1.00 0.00 O ATOM 670 CB PHE A 45 15.644 2.242 -5.029 1.00 0.00 C ATOM 671 CG PHE A 45 16.242 3.494 -4.454 1.00 0.00 C ATOM 672 CD1 PHE A 45 17.577 3.534 -4.086 1.00 0.00 C ATOM 673 CD2 PHE A 45 15.469 4.632 -4.283 1.00 0.00 C ATOM 674 CE1 PHE A 45 18.131 4.684 -3.557 1.00 0.00 C ATOM 675 CE2 PHE A 45 16.017 5.786 -3.754 1.00 0.00 C ATOM 676 CZ PHE A 45 17.350 5.811 -3.391 1.00 0.00 C ATOM 0 H PHE A 45 15.056 0.130 -6.609 1.00 0.00 H new ATOM 0 HA PHE A 45 16.427 2.732 -6.970 1.00 0.00 H new ATOM 0 HB2 PHE A 45 14.571 2.385 -5.153 1.00 0.00 H new ATOM 0 HB3 PHE A 45 15.777 1.426 -4.319 1.00 0.00 H new ATOM 0 HD1 PHE A 45 18.192 2.656 -4.214 1.00 0.00 H new ATOM 0 HD2 PHE A 45 14.427 4.617 -4.566 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.173 4.702 -3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 45 15.404 6.666 -3.625 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.781 6.711 -2.978 1.00 0.00 H new ATOM 686 N HIS A 46 17.557 0.045 -5.390 1.00 0.00 N ATOM 687 CA HIS A 46 18.765 -0.717 -5.099 1.00 0.00 C ATOM 688 C HIS A 46 18.433 -1.994 -4.334 1.00 0.00 C ATOM 689 O HIS A 46 19.133 -2.368 -3.394 1.00 0.00 O ATOM 690 CB HIS A 46 19.748 0.134 -4.294 1.00 0.00 C ATOM 691 CG HIS A 46 21.172 -0.313 -4.424 1.00 0.00 C ATOM 692 ND1 HIS A 46 22.012 0.083 -5.442 1.00 0.00 N ATOM 693 CD2 HIS A 46 21.903 -1.142 -3.637 1.00 0.00 C ATOM 694 CE1 HIS A 46 23.200 -0.504 -5.247 1.00 0.00 C ATOM 695 NE2 HIS A 46 23.186 -1.258 -4.164 1.00 0.00 N ATOM 0 H HIS A 46 16.709 -0.331 -4.965 1.00 0.00 H new ATOM 0 HA HIS A 46 19.227 -0.994 -6.047 1.00 0.00 H new ATOM 0 HB2 HIS A 46 19.670 1.171 -4.620 1.00 0.00 H new ATOM 0 HB3 HIS A 46 19.462 0.108 -3.242 1.00 0.00 H new ATOM 0 HD2 HIS A 46 21.546 -1.634 -2.744 1.00 0.00 H new ATOM 0 HE1 HIS A 46 24.057 -0.377 -5.892 1.00 0.00 H new ATOM 0 HE2 HIS A 46 23.957 -1.812 -3.790 1.00 0.00 H new ATOM 703 N LEU A 47 17.358 -2.660 -4.745 1.00 0.00 N ATOM 704 CA LEU A 47 16.932 -3.896 -4.099 1.00 0.00 C ATOM 705 C LEU A 47 17.278 -5.107 -4.962 1.00 0.00 C ATOM 706 O LEU A 47 16.407 -5.906 -5.309 1.00 0.00 O ATOM 707 CB LEU A 47 15.427 -3.860 -3.824 1.00 0.00 C ATOM 708 CG LEU A 47 14.922 -2.585 -3.146 1.00 0.00 C ATOM 709 CD1 LEU A 47 13.494 -2.283 -3.573 1.00 0.00 C ATOM 710 CD2 LEU A 47 15.012 -2.717 -1.633 1.00 0.00 C ATOM 0 H LEU A 47 16.767 -2.364 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 47 17.463 -3.985 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 47 14.898 -3.985 -4.769 1.00 0.00 H new ATOM 0 HB3 LEU A 47 15.167 -4.713 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 47 15.555 -1.754 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.152 -1.373 -3.081 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.459 -2.146 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.847 -3.113 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 47 14.649 -1.802 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 47 14.402 -3.559 -1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.049 -2.885 -1.344 1.00 0.00 H new ATOM 722 N ALA A 48 18.555 -5.236 -5.304 1.00 0.00 N ATOM 723 CA ALA A 48 19.017 -6.348 -6.126 1.00 0.00 C ATOM 724 C ALA A 48 19.992 -7.231 -5.355 1.00 0.00 C ATOM 725 O ALA A 48 20.233 -7.015 -4.168 1.00 0.00 O ATOM 726 CB ALA A 48 19.666 -5.828 -7.399 1.00 0.00 C ATOM 0 H ALA A 48 19.288 -4.584 -5.025 1.00 0.00 H new ATOM 0 HA ALA A 48 18.152 -6.955 -6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 48 20.006 -6.669 -8.003 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.940 -5.244 -7.965 1.00 0.00 H new ATOM 0 HB3 ALA A 48 20.517 -5.198 -7.142 1.00 0.00 H new ATOM 732 N ARG A 49 20.549 -8.226 -6.040 1.00 0.00 N ATOM 733 CA ARG A 49 21.500 -9.148 -5.425 1.00 0.00 C ATOM 734 C ARG A 49 20.838 -9.958 -4.315 1.00 0.00 C ATOM 735 O ARG A 49 20.501 -11.127 -4.505 1.00 0.00 O ATOM 736 CB ARG A 49 22.705 -8.382 -4.872 1.00 0.00 C ATOM 737 CG ARG A 49 23.543 -7.708 -5.946 1.00 0.00 C ATOM 738 CD ARG A 49 24.588 -6.786 -5.340 1.00 0.00 C ATOM 739 NE ARG A 49 25.755 -6.637 -6.207 1.00 0.00 N ATOM 740 CZ ARG A 49 26.639 -5.647 -6.099 1.00 0.00 C ATOM 741 NH1 ARG A 49 26.491 -4.717 -5.163 1.00 0.00 N ATOM 742 NH2 ARG A 49 27.671 -5.587 -6.927 1.00 0.00 N ATOM 0 H ARG A 49 20.358 -8.415 -7.024 1.00 0.00 H new ATOM 0 HA ARG A 49 21.844 -9.840 -6.194 1.00 0.00 H new ATOM 0 HB2 ARG A 49 22.353 -7.626 -4.170 1.00 0.00 H new ATOM 0 HB3 ARG A 49 23.336 -9.071 -4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 49 24.035 -8.467 -6.555 1.00 0.00 H new ATOM 0 HG3 ARG A 49 22.894 -7.137 -6.611 1.00 0.00 H new ATOM 0 HD2 ARG A 49 24.145 -5.807 -5.157 1.00 0.00 H new ATOM 0 HD3 ARG A 49 24.902 -7.180 -4.373 1.00 0.00 H new ATOM 0 HE ARG A 49 25.901 -7.333 -6.938 1.00 0.00 H new ATOM 0 HH11 ARG A 49 25.698 -4.759 -4.523 1.00 0.00 H new ATOM 0 HH12 ARG A 49 27.171 -3.960 -5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 49 27.789 -6.299 -7.648 1.00 0.00 H new ATOM 0 HH22 ARG A 49 28.348 -4.829 -6.844 1.00 0.00 H new ATOM 756 N GLY A 50 20.654 -9.334 -3.156 1.00 0.00 N ATOM 757 CA GLY A 50 20.032 -10.015 -2.036 1.00 0.00 C ATOM 758 C GLY A 50 19.373 -9.056 -1.065 1.00 0.00 C ATOM 759 O GLY A 50 19.653 -9.085 0.133 1.00 0.00 O ATOM 0 H GLY A 50 20.925 -8.368 -2.973 1.00 0.00 H new ATOM 0 HA2 GLY A 50 19.287 -10.717 -2.410 1.00 0.00 H new ATOM 0 HA3 GLY A 50 20.785 -10.601 -1.508 1.00 0.00 H new ATOM 763 N GLU A 51 18.494 -8.204 -1.584 1.00 0.00 N ATOM 764 CA GLU A 51 17.793 -7.230 -0.756 1.00 0.00 C ATOM 765 C GLU A 51 16.286 -7.466 -0.793 1.00 0.00 C ATOM 766 O GLU A 51 15.604 -7.347 0.224 1.00 0.00 O ATOM 767 CB GLU A 51 18.110 -5.807 -1.224 1.00 0.00 C ATOM 768 CG GLU A 51 18.353 -4.832 -0.085 1.00 0.00 C ATOM 769 CD GLU A 51 19.601 -5.163 0.710 1.00 0.00 C ATOM 770 OE1 GLU A 51 19.545 -6.093 1.543 1.00 0.00 O ATOM 771 OE2 GLU A 51 20.634 -4.494 0.500 1.00 0.00 O ATOM 0 H GLU A 51 18.251 -8.169 -2.574 1.00 0.00 H new ATOM 0 HA GLU A 51 18.136 -7.352 0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.992 -5.832 -1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.284 -5.442 -1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.440 -3.823 -0.488 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.491 -4.836 0.582 1.00 0.00 H new ATOM 778 N LEU A 52 15.773 -7.802 -1.973 1.00 0.00 N ATOM 779 CA LEU A 52 14.347 -8.056 -2.142 1.00 0.00 C ATOM 780 C LEU A 52 13.883 -9.189 -1.234 1.00 0.00 C ATOM 781 O LEU A 52 12.753 -9.180 -0.744 1.00 0.00 O ATOM 782 CB LEU A 52 14.039 -8.398 -3.602 1.00 0.00 C ATOM 783 CG LEU A 52 12.666 -7.943 -4.099 1.00 0.00 C ATOM 784 CD1 LEU A 52 12.684 -6.461 -4.435 1.00 0.00 C ATOM 785 CD2 LEU A 52 12.239 -8.762 -5.307 1.00 0.00 C ATOM 0 H LEU A 52 16.324 -7.905 -2.825 1.00 0.00 H new ATOM 0 HA LEU A 52 13.807 -7.150 -1.865 1.00 0.00 H new ATOM 0 HB2 LEU A 52 14.805 -7.948 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.115 -9.478 -3.730 1.00 0.00 H new ATOM 0 HG LEU A 52 11.940 -8.104 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.699 -6.156 -4.787 1.00 0.00 H new ATOM 0 HD12 LEU A 52 12.945 -5.889 -3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.422 -6.274 -5.215 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.260 -8.425 -5.647 1.00 0.00 H new ATOM 0 HD22 LEU A 52 12.966 -8.634 -6.109 1.00 0.00 H new ATOM 0 HD23 LEU A 52 12.185 -9.815 -5.032 1.00 0.00 H new ATOM 797 N GLU A 53 14.760 -10.162 -1.014 1.00 0.00 N ATOM 798 CA GLU A 53 14.439 -11.302 -0.163 1.00 0.00 C ATOM 799 C GLU A 53 14.604 -10.945 1.311 1.00 0.00 C ATOM 800 O GLU A 53 13.872 -11.444 2.167 1.00 0.00 O ATOM 801 CB GLU A 53 15.332 -12.494 -0.514 1.00 0.00 C ATOM 802 CG GLU A 53 16.818 -12.174 -0.474 1.00 0.00 C ATOM 803 CD GLU A 53 17.526 -12.525 -1.768 1.00 0.00 C ATOM 804 OE1 GLU A 53 16.997 -12.185 -2.846 1.00 0.00 O ATOM 805 OE2 GLU A 53 18.612 -13.140 -1.702 1.00 0.00 O ATOM 0 H GLU A 53 15.698 -10.184 -1.413 1.00 0.00 H new ATOM 0 HA GLU A 53 13.398 -11.572 -0.338 1.00 0.00 H new ATOM 0 HB2 GLU A 53 15.126 -13.309 0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.072 -12.851 -1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 53 16.952 -11.112 -0.268 1.00 0.00 H new ATOM 0 HG3 GLU A 53 17.281 -12.719 0.348 1.00 0.00 H new ATOM 812 N SER A 54 15.569 -10.078 1.599 1.00 0.00 N ATOM 813 CA SER A 54 15.831 -9.653 2.969 1.00 0.00 C ATOM 814 C SER A 54 14.655 -8.856 3.529 1.00 0.00 C ATOM 815 O SER A 54 14.425 -8.839 4.738 1.00 0.00 O ATOM 816 CB SER A 54 17.107 -8.812 3.029 1.00 0.00 C ATOM 817 OG SER A 54 18.238 -9.619 3.309 1.00 0.00 O ATOM 0 H SER A 54 16.183 -9.656 0.902 1.00 0.00 H new ATOM 0 HA SER A 54 15.963 -10.546 3.580 1.00 0.00 H new ATOM 0 HB2 SER A 54 17.251 -8.296 2.080 1.00 0.00 H new ATOM 0 HB3 SER A 54 17.005 -8.045 3.797 1.00 0.00 H new ATOM 0 HG SER A 54 19.041 -9.058 3.340 1.00 0.00 H new ATOM 823 N LEU A 55 13.915 -8.198 2.641 1.00 0.00 N ATOM 824 CA LEU A 55 12.765 -7.399 3.049 1.00 0.00 C ATOM 825 C LEU A 55 11.754 -8.246 3.816 1.00 0.00 C ATOM 826 O LEU A 55 11.769 -9.475 3.732 1.00 0.00 O ATOM 827 CB LEU A 55 12.094 -6.772 1.824 1.00 0.00 C ATOM 828 CG LEU A 55 12.680 -5.431 1.381 1.00 0.00 C ATOM 829 CD1 LEU A 55 12.281 -5.123 -0.055 1.00 0.00 C ATOM 830 CD2 LEU A 55 12.224 -4.317 2.313 1.00 0.00 C ATOM 0 H LEU A 55 14.091 -8.203 1.636 1.00 0.00 H new ATOM 0 HA LEU A 55 13.122 -6.607 3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.162 -7.473 0.992 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.034 -6.635 2.039 1.00 0.00 H new ATOM 0 HG LEU A 55 13.767 -5.497 1.429 1.00 0.00 H new ATOM 0 HD11 LEU A 55 12.707 -4.165 -0.353 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.655 -5.907 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.195 -5.076 -0.129 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.650 -3.369 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.136 -4.251 2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.559 -4.532 3.328 1.00 0.00 H new ATOM 842 N SER A 56 10.877 -7.582 4.561 1.00 0.00 N ATOM 843 CA SER A 56 9.859 -8.274 5.343 1.00 0.00 C ATOM 844 C SER A 56 8.525 -7.537 5.270 1.00 0.00 C ATOM 845 O SER A 56 8.400 -6.527 4.577 1.00 0.00 O ATOM 846 CB SER A 56 10.305 -8.402 6.800 1.00 0.00 C ATOM 847 OG SER A 56 11.130 -9.541 6.982 1.00 0.00 O ATOM 0 H SER A 56 10.851 -6.565 4.640 1.00 0.00 H new ATOM 0 HA SER A 56 9.727 -9.271 4.922 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.847 -7.505 7.098 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.430 -8.475 7.446 1.00 0.00 H new ATOM 0 HG SER A 56 11.404 -9.600 7.921 1.00 0.00 H new ATOM 853 N GLN A 57 7.532 -8.049 5.990 1.00 0.00 N ATOM 854 CA GLN A 57 6.207 -7.440 6.007 1.00 0.00 C ATOM 855 C GLN A 57 6.261 -6.035 6.604 1.00 0.00 C ATOM 856 O GLN A 57 5.466 -5.167 6.244 1.00 0.00 O ATOM 857 CB GLN A 57 5.233 -8.311 6.803 1.00 0.00 C ATOM 858 CG GLN A 57 3.934 -8.598 6.067 1.00 0.00 C ATOM 859 CD GLN A 57 3.791 -10.057 5.681 1.00 0.00 C ATOM 860 OE1 GLN A 57 4.755 -10.821 5.732 1.00 0.00 O ATOM 861 NE2 GLN A 57 2.585 -10.451 5.290 1.00 0.00 N ATOM 0 H GLN A 57 7.620 -8.884 6.569 1.00 0.00 H new ATOM 0 HA GLN A 57 5.855 -7.363 4.978 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.719 -9.256 7.047 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.005 -7.817 7.747 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.093 -8.309 6.697 1.00 0.00 H new ATOM 0 HG3 GLN A 57 3.886 -7.982 5.169 1.00 0.00 H new ATOM 0 HE21 GLN A 57 1.814 -9.783 5.263 1.00 0.00 H new ATOM 0 HE22 GLN A 57 2.429 -11.421 5.017 1.00 0.00 H new ATOM 870 N VAL A 58 7.203 -5.821 7.518 1.00 0.00 N ATOM 871 CA VAL A 58 7.359 -4.525 8.164 1.00 0.00 C ATOM 872 C VAL A 58 8.434 -3.692 7.474 1.00 0.00 C ATOM 873 O VAL A 58 8.221 -2.521 7.162 1.00 0.00 O ATOM 874 CB VAL A 58 7.724 -4.679 9.652 1.00 0.00 C ATOM 875 CG1 VAL A 58 7.687 -3.331 10.356 1.00 0.00 C ATOM 876 CG2 VAL A 58 6.789 -5.669 10.331 1.00 0.00 C ATOM 0 H VAL A 58 7.869 -6.529 7.827 1.00 0.00 H new ATOM 0 HA VAL A 58 6.399 -4.015 8.083 1.00 0.00 H new ATOM 0 HB VAL A 58 8.740 -5.068 9.718 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.948 -3.462 11.406 1.00 0.00 H new ATOM 0 HG12 VAL A 58 8.402 -2.655 9.886 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.685 -2.909 10.281 1.00 0.00 H new ATOM 0 HG21 VAL A 58 7.062 -5.765 11.382 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.762 -5.311 10.254 1.00 0.00 H new ATOM 0 HG23 VAL A 58 6.872 -6.641 9.844 1.00 0.00 H new ATOM 886 N ASP A 59 9.590 -4.304 7.241 1.00 0.00 N ATOM 887 CA ASP A 59 10.700 -3.618 6.589 1.00 0.00 C ATOM 888 C ASP A 59 10.300 -3.125 5.202 1.00 0.00 C ATOM 889 O ASP A 59 10.795 -2.103 4.728 1.00 0.00 O ATOM 890 CB ASP A 59 11.910 -4.550 6.484 1.00 0.00 C ATOM 891 CG ASP A 59 12.899 -4.343 7.615 1.00 0.00 C ATOM 892 OD1 ASP A 59 13.580 -3.298 7.623 1.00 0.00 O ATOM 893 OD2 ASP A 59 12.990 -5.228 8.492 1.00 0.00 O ATOM 0 H ASP A 59 9.783 -5.273 7.494 1.00 0.00 H new ATOM 0 HA ASP A 59 10.966 -2.753 7.196 1.00 0.00 H new ATOM 0 HB2 ASP A 59 11.569 -5.585 6.488 1.00 0.00 H new ATOM 0 HB3 ASP A 59 12.412 -4.383 5.531 1.00 0.00 H new ATOM 898 N LEU A 60 9.400 -3.860 4.555 1.00 0.00 N ATOM 899 CA LEU A 60 8.933 -3.496 3.222 1.00 0.00 C ATOM 900 C LEU A 60 8.170 -2.176 3.253 1.00 0.00 C ATOM 901 O LEU A 60 8.519 -1.229 2.545 1.00 0.00 O ATOM 902 CB LEU A 60 8.040 -4.600 2.653 1.00 0.00 C ATOM 903 CG LEU A 60 7.453 -4.309 1.270 1.00 0.00 C ATOM 904 CD1 LEU A 60 8.563 -4.029 0.269 1.00 0.00 C ATOM 905 CD2 LEU A 60 6.592 -5.473 0.802 1.00 0.00 C ATOM 0 H LEU A 60 8.980 -4.710 4.932 1.00 0.00 H new ATOM 0 HA LEU A 60 9.805 -3.375 2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.618 -5.522 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.220 -4.778 3.349 1.00 0.00 H new ATOM 0 HG LEU A 60 6.823 -3.422 1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.128 -3.824 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.140 -3.165 0.598 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.218 -4.897 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.182 -5.250 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.200 -6.376 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.776 -5.629 1.508 1.00 0.00 H new ATOM 917 N ALA A 61 7.129 -2.118 4.076 1.00 0.00 N ATOM 918 CA ALA A 61 6.316 -0.914 4.198 1.00 0.00 C ATOM 919 C ALA A 61 7.156 0.274 4.654 1.00 0.00 C ATOM 920 O ALA A 61 6.860 1.421 4.318 1.00 0.00 O ATOM 921 CB ALA A 61 5.167 -1.152 5.165 1.00 0.00 C ATOM 0 H ALA A 61 6.828 -2.891 4.669 1.00 0.00 H new ATOM 0 HA ALA A 61 5.908 -0.679 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.567 -0.246 5.248 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.544 -1.967 4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.565 -1.414 6.145 1.00 0.00 H new ATOM 927 N SER A 62 8.204 -0.007 5.421 1.00 0.00 N ATOM 928 CA SER A 62 9.087 1.040 5.923 1.00 0.00 C ATOM 929 C SER A 62 10.108 1.448 4.866 1.00 0.00 C ATOM 930 O SER A 62 10.542 2.599 4.820 1.00 0.00 O ATOM 931 CB SER A 62 9.807 0.565 7.187 1.00 0.00 C ATOM 932 OG SER A 62 9.929 1.616 8.131 1.00 0.00 O ATOM 0 H SER A 62 8.463 -0.951 5.709 1.00 0.00 H new ATOM 0 HA SER A 62 8.476 1.910 6.164 1.00 0.00 H new ATOM 0 HB2 SER A 62 9.258 -0.265 7.632 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.797 0.190 6.926 1.00 0.00 H new ATOM 0 HG SER A 62 10.391 1.286 8.930 1.00 0.00 H new ATOM 938 N LYS A 63 10.487 0.497 4.018 1.00 0.00 N ATOM 939 CA LYS A 63 11.458 0.757 2.961 1.00 0.00 C ATOM 940 C LYS A 63 10.876 1.690 1.903 1.00 0.00 C ATOM 941 O LYS A 63 11.559 2.589 1.410 1.00 0.00 O ATOM 942 CB LYS A 63 11.901 -0.558 2.314 1.00 0.00 C ATOM 943 CG LYS A 63 13.297 -0.999 2.728 1.00 0.00 C ATOM 944 CD LYS A 63 14.299 -0.814 1.601 1.00 0.00 C ATOM 945 CE LYS A 63 15.713 -1.141 2.052 1.00 0.00 C ATOM 946 NZ LYS A 63 16.640 -1.309 0.900 1.00 0.00 N ATOM 0 H LYS A 63 10.136 -0.461 4.042 1.00 0.00 H new ATOM 0 HA LYS A 63 12.325 1.244 3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.189 -1.340 2.576 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.870 -0.449 1.230 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.617 -0.426 3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.274 -2.047 3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.027 -1.454 0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 63 14.259 0.215 1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.080 -0.345 2.700 1.00 0.00 H new ATOM 0 HE3 LYS A 63 15.702 -2.055 2.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 17.590 -0.980 1.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.684 -2.313 0.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 16.295 -0.751 0.093 1.00 0.00 H new ATOM 960 N LEU A 64 9.612 1.471 1.558 1.00 0.00 N ATOM 961 CA LEU A 64 8.939 2.290 0.557 1.00 0.00 C ATOM 962 C LEU A 64 8.834 3.741 1.019 1.00 0.00 C ATOM 963 O LEU A 64 8.840 4.664 0.205 1.00 0.00 O ATOM 964 CB LEU A 64 7.544 1.734 0.267 1.00 0.00 C ATOM 965 CG LEU A 64 7.511 0.276 -0.193 1.00 0.00 C ATOM 966 CD1 LEU A 64 6.077 -0.203 -0.348 1.00 0.00 C ATOM 967 CD2 LEU A 64 8.274 0.113 -1.499 1.00 0.00 C ATOM 0 H LEU A 64 9.033 0.733 1.957 1.00 0.00 H new ATOM 0 HA LEU A 64 9.532 2.261 -0.357 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.937 1.829 1.168 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.075 2.352 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 64 7.996 -0.336 0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.074 -1.242 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.561 -0.123 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.566 0.412 -1.088 1.00 0.00 H new ATOM 0 HD21 LEU A 64 8.241 -0.931 -1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.818 0.737 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 64 9.311 0.415 -1.355 1.00 0.00 H new ATOM 979 N ILE A 65 8.737 3.934 2.330 1.00 0.00 N ATOM 980 CA ILE A 65 8.628 5.271 2.900 1.00 0.00 C ATOM 981 C ILE A 65 9.995 5.941 3.001 1.00 0.00 C ATOM 982 O ILE A 65 10.106 7.163 2.911 1.00 0.00 O ATOM 983 CB ILE A 65 7.982 5.235 4.299 1.00 0.00 C ATOM 984 CG1 ILE A 65 6.688 4.420 4.266 1.00 0.00 C ATOM 985 CG2 ILE A 65 7.712 6.649 4.795 1.00 0.00 C ATOM 986 CD1 ILE A 65 6.244 3.936 5.628 1.00 0.00 C ATOM 0 H ILE A 65 8.732 3.181 3.018 1.00 0.00 H new ATOM 0 HA ILE A 65 7.993 5.849 2.229 1.00 0.00 H new ATOM 0 HB ILE A 65 8.674 4.755 4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.896 5.029 3.830 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.827 3.560 3.611 1.00 0.00 H new ATOM 0 HG21 ILE A 65 7.256 6.607 5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 65 8.651 7.200 4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.036 7.154 4.105 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.320 3.366 5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 65 7.018 3.301 6.059 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.073 4.792 6.280 1.00 0.00 H new ATOM 998 N SER A 66 11.033 5.133 3.190 1.00 0.00 N ATOM 999 CA SER A 66 12.392 5.649 3.305 1.00 0.00 C ATOM 1000 C SER A 66 13.016 5.860 1.928 1.00 0.00 C ATOM 1001 O SER A 66 13.847 6.749 1.742 1.00 0.00 O ATOM 1002 CB SER A 66 13.256 4.691 4.127 1.00 0.00 C ATOM 1003 OG SER A 66 12.815 3.353 3.980 1.00 0.00 O ATOM 0 H SER A 66 10.959 4.119 3.267 1.00 0.00 H new ATOM 0 HA SER A 66 12.344 6.612 3.813 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.296 4.771 3.810 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.220 4.976 5.179 1.00 0.00 H new ATOM 0 HG SER A 66 12.063 3.188 4.586 1.00 0.00 H new ATOM 1009 N MET A 67 12.610 5.036 0.967 1.00 0.00 N ATOM 1010 CA MET A 67 13.131 5.133 -0.391 1.00 0.00 C ATOM 1011 C MET A 67 12.389 6.204 -1.184 1.00 0.00 C ATOM 1012 O MET A 67 12.983 6.910 -1.999 1.00 0.00 O ATOM 1013 CB MET A 67 13.014 3.783 -1.102 1.00 0.00 C ATOM 1014 CG MET A 67 13.966 2.728 -0.564 1.00 0.00 C ATOM 1015 SD MET A 67 14.171 1.337 -1.693 1.00 0.00 S ATOM 1016 CE MET A 67 12.463 0.890 -1.992 1.00 0.00 C ATOM 0 H MET A 67 11.923 4.295 1.104 1.00 0.00 H new ATOM 0 HA MET A 67 14.182 5.415 -0.331 1.00 0.00 H new ATOM 0 HB2 MET A 67 11.991 3.419 -1.007 1.00 0.00 H new ATOM 0 HB3 MET A 67 13.205 3.924 -2.166 1.00 0.00 H new ATOM 0 HG2 MET A 67 14.938 3.184 -0.375 1.00 0.00 H new ATOM 0 HG3 MET A 67 13.594 2.362 0.393 1.00 0.00 H new ATOM 0 HE1 MET A 67 12.267 -0.098 -1.575 1.00 0.00 H new ATOM 0 HE2 MET A 67 11.807 1.620 -1.518 1.00 0.00 H new ATOM 0 HE3 MET A 67 12.273 0.875 -3.065 1.00 0.00 H new ATOM 1026 N TYR A 68 11.088 6.319 -0.941 1.00 0.00 N ATOM 1027 CA TYR A 68 10.265 7.304 -1.633 1.00 0.00 C ATOM 1028 C TYR A 68 9.524 8.191 -0.638 1.00 0.00 C ATOM 1029 O TYR A 68 9.799 9.387 -0.532 1.00 0.00 O ATOM 1030 CB TYR A 68 9.263 6.606 -2.554 1.00 0.00 C ATOM 1031 CG TYR A 68 9.889 5.554 -3.442 1.00 0.00 C ATOM 1032 CD1 TYR A 68 9.992 4.234 -3.021 1.00 0.00 C ATOM 1033 CD2 TYR A 68 10.378 5.881 -4.701 1.00 0.00 C ATOM 1034 CE1 TYR A 68 10.563 3.270 -3.829 1.00 0.00 C ATOM 1035 CE2 TYR A 68 10.951 4.923 -5.514 1.00 0.00 C ATOM 1036 CZ TYR A 68 11.041 3.619 -5.074 1.00 0.00 C ATOM 1037 OH TYR A 68 11.611 2.661 -5.882 1.00 0.00 O ATOM 0 H TYR A 68 10.581 5.742 -0.270 1.00 0.00 H new ATOM 0 HA TYR A 68 10.924 7.932 -2.232 1.00 0.00 H new ATOM 0 HB2 TYR A 68 8.486 6.142 -1.947 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.775 7.354 -3.179 1.00 0.00 H new ATOM 0 HD1 TYR A 68 9.619 3.957 -2.046 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.309 6.901 -5.049 1.00 0.00 H new ATOM 0 HE1 TYR A 68 10.635 2.248 -3.487 1.00 0.00 H new ATOM 0 HE2 TYR A 68 11.327 5.194 -6.490 1.00 0.00 H new ATOM 0 HH TYR A 68 11.895 3.071 -6.725 1.00 0.00 H new ATOM 1047 N GLY A 69 8.586 7.598 0.093 1.00 0.00 N ATOM 1048 CA GLY A 69 7.821 8.349 1.071 1.00 0.00 C ATOM 1049 C GLY A 69 6.507 7.678 1.418 1.00 0.00 C ATOM 1050 O GLY A 69 6.077 6.748 0.736 1.00 0.00 O ATOM 0 H GLY A 69 8.342 6.610 0.025 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.414 8.469 1.977 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.624 9.349 0.684 1.00 0.00 H new ATOM 1054 N ALA A 70 5.868 8.149 2.485 1.00 0.00 N ATOM 1055 CA ALA A 70 4.596 7.588 2.923 1.00 0.00 C ATOM 1056 C ALA A 70 3.490 7.876 1.914 1.00 0.00 C ATOM 1057 O ALA A 70 2.539 7.105 1.784 1.00 0.00 O ATOM 1058 CB ALA A 70 4.222 8.138 4.291 1.00 0.00 C ATOM 0 H ALA A 70 6.211 8.918 3.061 1.00 0.00 H new ATOM 0 HA ALA A 70 4.710 6.506 2.996 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.270 7.711 4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 70 4.995 7.875 5.013 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.133 9.223 4.235 1.00 0.00 H new ATOM 1064 N GLN A 71 3.619 8.991 1.202 1.00 0.00 N ATOM 1065 CA GLN A 71 2.629 9.380 0.205 1.00 0.00 C ATOM 1066 C GLN A 71 2.895 8.688 -1.128 1.00 0.00 C ATOM 1067 O GLN A 71 1.967 8.399 -1.885 1.00 0.00 O ATOM 1068 CB GLN A 71 2.637 10.898 0.014 1.00 0.00 C ATOM 1069 CG GLN A 71 1.916 11.654 1.117 1.00 0.00 C ATOM 1070 CD GLN A 71 2.805 11.928 2.314 1.00 0.00 C ATOM 1071 OE1 GLN A 71 4.029 11.993 2.191 1.00 0.00 O ATOM 1072 NE2 GLN A 71 2.194 12.088 3.482 1.00 0.00 N ATOM 0 H GLN A 71 4.399 9.641 1.297 1.00 0.00 H new ATOM 0 HA GLN A 71 1.648 9.070 0.565 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.669 11.244 -0.037 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.173 11.138 -0.943 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.544 12.599 0.721 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.047 11.079 1.438 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.177 12.026 3.538 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.741 12.273 4.323 1.00 0.00 H new ATOM 1081 N GLU A 72 4.166 8.425 -1.410 1.00 0.00 N ATOM 1082 CA GLU A 72 4.555 7.767 -2.652 1.00 0.00 C ATOM 1083 C GLU A 72 4.475 6.249 -2.515 1.00 0.00 C ATOM 1084 O GLU A 72 4.215 5.541 -3.488 1.00 0.00 O ATOM 1085 CB GLU A 72 5.971 8.184 -3.052 1.00 0.00 C ATOM 1086 CG GLU A 72 6.110 8.534 -4.525 1.00 0.00 C ATOM 1087 CD GLU A 72 6.473 7.335 -5.378 1.00 0.00 C ATOM 1088 OE1 GLU A 72 7.669 6.978 -5.422 1.00 0.00 O ATOM 1089 OE2 GLU A 72 5.560 6.754 -6.004 1.00 0.00 O ATOM 0 H GLU A 72 4.945 8.658 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 72 3.859 8.077 -3.432 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.270 9.044 -2.453 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.660 7.374 -2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.173 8.960 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.874 9.303 -4.641 1.00 0.00 H new ATOM 1096 N ALA A 73 4.703 5.756 -1.301 1.00 0.00 N ATOM 1097 CA ALA A 73 4.658 4.322 -1.038 1.00 0.00 C ATOM 1098 C ALA A 73 3.304 3.732 -1.417 1.00 0.00 C ATOM 1099 O ALA A 73 3.230 2.722 -2.116 1.00 0.00 O ATOM 1100 CB ALA A 73 4.964 4.047 0.428 1.00 0.00 C ATOM 0 H ALA A 73 4.921 6.328 -0.485 1.00 0.00 H new ATOM 0 HA ALA A 73 5.417 3.841 -1.655 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.927 2.973 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.958 4.423 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.225 4.548 1.054 1.00 0.00 H new ATOM 1106 N VAL A 74 2.235 4.369 -0.951 1.00 0.00 N ATOM 1107 CA VAL A 74 0.882 3.908 -1.240 1.00 0.00 C ATOM 1108 C VAL A 74 0.613 3.893 -2.741 1.00 0.00 C ATOM 1109 O VAL A 74 -0.176 3.086 -3.232 1.00 0.00 O ATOM 1110 CB VAL A 74 -0.173 4.791 -0.550 1.00 0.00 C ATOM 1111 CG1 VAL A 74 -1.561 4.188 -0.703 1.00 0.00 C ATOM 1112 CG2 VAL A 74 0.172 4.984 0.920 1.00 0.00 C ATOM 0 H VAL A 74 2.280 5.207 -0.371 1.00 0.00 H new ATOM 0 HA VAL A 74 0.806 2.893 -0.850 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.173 5.768 -1.033 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.292 4.827 -0.208 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.808 4.107 -1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.579 3.197 -0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.585 5.611 1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.202 4.014 1.417 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.146 5.465 1.005 1.00 0.00 H new ATOM 1122 N ARG A 75 1.272 4.791 -3.466 1.00 0.00 N ATOM 1123 CA ARG A 75 1.102 4.880 -4.912 1.00 0.00 C ATOM 1124 C ARG A 75 1.809 3.727 -5.617 1.00 0.00 C ATOM 1125 O ARG A 75 1.368 3.265 -6.669 1.00 0.00 O ATOM 1126 CB ARG A 75 1.639 6.215 -5.429 1.00 0.00 C ATOM 1127 CG ARG A 75 1.112 6.592 -6.805 1.00 0.00 C ATOM 1128 CD ARG A 75 2.165 7.319 -7.625 1.00 0.00 C ATOM 1129 NE ARG A 75 2.744 8.446 -6.898 1.00 0.00 N ATOM 1130 CZ ARG A 75 2.104 9.592 -6.678 1.00 0.00 C ATOM 1131 NH1 ARG A 75 0.867 9.767 -7.126 1.00 0.00 N ATOM 1132 NH2 ARG A 75 2.703 10.568 -6.007 1.00 0.00 N ATOM 0 H ARG A 75 1.929 5.467 -3.076 1.00 0.00 H new ATOM 0 HA ARG A 75 0.036 4.816 -5.131 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.377 7.001 -4.721 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.727 6.169 -5.466 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.795 5.693 -7.333 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.232 7.226 -6.698 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.955 6.621 -7.900 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.718 7.677 -8.553 1.00 0.00 H new ATOM 0 HE ARG A 75 3.694 8.349 -6.538 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.401 9.021 -7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.382 10.648 -6.954 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.654 10.440 -5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.213 11.446 -5.838 1.00 0.00 H new ATOM 1146 N VAL A 76 2.911 3.268 -5.031 1.00 0.00 N ATOM 1147 CA VAL A 76 3.679 2.170 -5.604 1.00 0.00 C ATOM 1148 C VAL A 76 2.887 0.868 -5.572 1.00 0.00 C ATOM 1149 O VAL A 76 2.743 0.191 -6.590 1.00 0.00 O ATOM 1150 CB VAL A 76 5.011 1.966 -4.856 1.00 0.00 C ATOM 1151 CG1 VAL A 76 5.872 0.933 -5.566 1.00 0.00 C ATOM 1152 CG2 VAL A 76 5.755 3.287 -4.716 1.00 0.00 C ATOM 0 H VAL A 76 3.291 3.640 -4.160 1.00 0.00 H new ATOM 0 HA VAL A 76 3.889 2.438 -6.639 1.00 0.00 H new ATOM 0 HB VAL A 76 4.789 1.593 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.808 0.804 -5.022 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.341 -0.018 -5.606 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.085 1.272 -6.580 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.693 3.122 -4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.965 3.693 -5.706 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.141 3.993 -4.157 1.00 0.00 H new ATOM 1162 N VAL A 77 2.376 0.521 -4.395 1.00 0.00 N ATOM 1163 CA VAL A 77 1.599 -0.702 -4.229 1.00 0.00 C ATOM 1164 C VAL A 77 0.359 -0.691 -5.119 1.00 0.00 C ATOM 1165 O VAL A 77 -0.017 -1.716 -5.687 1.00 0.00 O ATOM 1166 CB VAL A 77 1.163 -0.896 -2.764 1.00 0.00 C ATOM 1167 CG1 VAL A 77 0.489 -2.248 -2.581 1.00 0.00 C ATOM 1168 CG2 VAL A 77 2.354 -0.756 -1.827 1.00 0.00 C ATOM 0 H VAL A 77 2.486 1.070 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 77 2.246 -1.529 -4.521 1.00 0.00 H new ATOM 0 HB VAL A 77 0.441 -0.118 -2.515 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.188 -2.367 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -0.391 -2.306 -3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.186 -3.042 -2.850 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.025 -0.896 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.102 -1.509 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.789 0.238 -1.937 1.00 0.00 H new ATOM 1178 N SER A 78 -0.271 0.473 -5.235 1.00 0.00 N ATOM 1179 CA SER A 78 -1.469 0.616 -6.056 1.00 0.00 C ATOM 1180 C SER A 78 -1.197 0.203 -7.499 1.00 0.00 C ATOM 1181 O SER A 78 -2.091 -0.280 -8.195 1.00 0.00 O ATOM 1182 CB SER A 78 -1.971 2.061 -6.013 1.00 0.00 C ATOM 1183 OG SER A 78 -3.273 2.165 -6.564 1.00 0.00 O ATOM 0 H SER A 78 0.027 1.331 -4.771 1.00 0.00 H new ATOM 0 HA SER A 78 -2.237 -0.042 -5.650 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.979 2.416 -4.982 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.286 2.704 -6.566 1.00 0.00 H new ATOM 0 HG SER A 78 -3.572 3.097 -6.524 1.00 0.00 H new ATOM 1189 N ARG A 79 0.040 0.396 -7.943 1.00 0.00 N ATOM 1190 CA ARG A 79 0.427 0.042 -9.304 1.00 0.00 C ATOM 1191 C ARG A 79 0.838 -1.425 -9.389 1.00 0.00 C ATOM 1192 O ARG A 79 0.670 -2.067 -10.426 1.00 0.00 O ATOM 1193 CB ARG A 79 1.576 0.937 -9.778 1.00 0.00 C ATOM 1194 CG ARG A 79 1.137 2.035 -10.733 1.00 0.00 C ATOM 1195 CD ARG A 79 2.284 2.977 -11.066 1.00 0.00 C ATOM 1196 NE ARG A 79 3.038 2.531 -12.236 1.00 0.00 N ATOM 1197 CZ ARG A 79 4.055 1.673 -12.184 1.00 0.00 C ATOM 1198 NH1 ARG A 79 4.447 1.161 -11.024 1.00 0.00 N ATOM 1199 NH2 ARG A 79 4.684 1.324 -13.299 1.00 0.00 N ATOM 0 H ARG A 79 0.792 0.795 -7.381 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.435 0.196 -9.953 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.054 1.391 -8.910 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.328 0.319 -10.269 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.754 1.589 -11.651 1.00 0.00 H new ATOM 0 HG3 ARG A 79 0.318 2.600 -10.287 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.890 3.977 -11.248 1.00 0.00 H new ATOM 0 HD3 ARG A 79 2.954 3.049 -10.209 1.00 0.00 H new ATOM 0 HE ARG A 79 2.769 2.900 -13.148 1.00 0.00 H new ATOM 0 HH11 ARG A 79 3.968 1.424 -10.163 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.227 0.504 -10.994 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.388 1.713 -14.194 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.463 0.667 -13.261 1.00 0.00 H new ATOM 1213 N SER A 80 1.374 -1.951 -8.293 1.00 0.00 N ATOM 1214 CA SER A 80 1.808 -3.342 -8.245 1.00 0.00 C ATOM 1215 C SER A 80 0.610 -4.284 -8.155 1.00 0.00 C ATOM 1216 O SER A 80 0.611 -5.363 -8.746 1.00 0.00 O ATOM 1217 CB SER A 80 2.739 -3.568 -7.053 1.00 0.00 C ATOM 1218 OG SER A 80 3.625 -2.475 -6.883 1.00 0.00 O ATOM 0 H SER A 80 1.518 -1.434 -7.425 1.00 0.00 H new ATOM 0 HA SER A 80 2.349 -3.558 -9.166 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.148 -3.706 -6.147 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.311 -4.484 -7.203 1.00 0.00 H new ATOM 0 HG SER A 80 3.114 -1.674 -6.645 1.00 0.00 H new ATOM 1224 N LEU A 81 -0.408 -3.868 -7.409 1.00 0.00 N ATOM 1225 CA LEU A 81 -1.611 -4.674 -7.241 1.00 0.00 C ATOM 1226 C LEU A 81 -2.280 -4.946 -8.584 1.00 0.00 C ATOM 1227 O LEU A 81 -2.884 -5.999 -8.786 1.00 0.00 O ATOM 1228 CB LEU A 81 -2.594 -3.970 -6.302 1.00 0.00 C ATOM 1229 CG LEU A 81 -2.100 -3.789 -4.867 1.00 0.00 C ATOM 1230 CD1 LEU A 81 -2.855 -2.662 -4.180 1.00 0.00 C ATOM 1231 CD2 LEU A 81 -2.250 -5.086 -4.086 1.00 0.00 C ATOM 0 H LEU A 81 -0.424 -2.978 -6.911 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.319 -5.628 -6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.829 -2.989 -6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.524 -4.539 -6.281 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.043 -3.525 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.489 -2.548 -3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.698 -1.732 -4.727 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.919 -2.896 -4.160 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.894 -4.940 -3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.300 -5.379 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.664 -5.870 -4.566 1.00 0.00 H new ATOM 1243 N LEU A 82 -2.166 -3.990 -9.500 1.00 0.00 N ATOM 1244 CA LEU A 82 -2.761 -4.127 -10.825 1.00 0.00 C ATOM 1245 C LEU A 82 -2.109 -5.269 -11.599 1.00 0.00 C ATOM 1246 O LEU A 82 -2.789 -6.042 -12.274 1.00 0.00 O ATOM 1247 CB LEU A 82 -2.619 -2.819 -11.607 1.00 0.00 C ATOM 1248 CG LEU A 82 -3.271 -1.600 -10.953 1.00 0.00 C ATOM 1249 CD1 LEU A 82 -3.022 -0.351 -11.784 1.00 0.00 C ATOM 1250 CD2 LEU A 82 -4.764 -1.831 -10.769 1.00 0.00 C ATOM 0 H LEU A 82 -1.668 -3.113 -9.350 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.819 -4.355 -10.700 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.558 -2.612 -11.750 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.053 -2.957 -12.597 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.821 -1.453 -9.971 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.493 0.506 -11.303 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.949 -0.176 -11.866 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.445 -0.486 -12.780 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.213 -0.954 -10.302 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.228 -2.003 -11.740 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.922 -2.702 -10.132 1.00 0.00 H new ATOM 1262 N ALA A 83 -0.789 -5.372 -11.493 1.00 0.00 N ATOM 1263 CA ALA A 83 -0.046 -6.420 -12.182 1.00 0.00 C ATOM 1264 C ALA A 83 -0.479 -7.803 -11.705 1.00 0.00 C ATOM 1265 O ALA A 83 -0.530 -8.751 -12.488 1.00 0.00 O ATOM 1266 CB ALA A 83 1.449 -6.232 -11.973 1.00 0.00 C ATOM 0 H ALA A 83 -0.211 -4.742 -10.936 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.265 -6.346 -13.247 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.991 -7.022 -12.493 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.753 -5.263 -12.368 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.676 -6.277 -10.908 1.00 0.00 H new ATOM 1272 N MET A 84 -0.790 -7.909 -10.418 1.00 0.00 N ATOM 1273 CA MET A 84 -1.219 -9.176 -9.836 1.00 0.00 C ATOM 1274 C MET A 84 -2.715 -9.408 -10.050 1.00 0.00 C ATOM 1275 O MET A 84 -3.258 -10.427 -9.623 1.00 0.00 O ATOM 1276 CB MET A 84 -0.896 -9.207 -8.340 1.00 0.00 C ATOM 1277 CG MET A 84 0.439 -9.860 -8.020 1.00 0.00 C ATOM 1278 SD MET A 84 0.255 -11.497 -7.285 1.00 0.00 S ATOM 1279 CE MET A 84 -0.725 -11.111 -5.836 1.00 0.00 C ATOM 0 H MET A 84 -0.753 -7.133 -9.757 1.00 0.00 H new ATOM 0 HA MET A 84 -0.676 -9.976 -10.339 1.00 0.00 H new ATOM 0 HB2 MET A 84 -0.894 -8.187 -7.956 1.00 0.00 H new ATOM 0 HB3 MET A 84 -1.688 -9.743 -7.817 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.028 -9.941 -8.934 1.00 0.00 H new ATOM 0 HG3 MET A 84 0.997 -9.220 -7.337 1.00 0.00 H new ATOM 0 HE1 MET A 84 -0.164 -11.369 -4.938 1.00 0.00 H new ATOM 0 HE2 MET A 84 -0.956 -10.046 -5.826 1.00 0.00 H new ATOM 0 HE3 MET A 84 -1.652 -11.683 -5.861 1.00 0.00 H new ATOM 1289 N ASN A 85 -3.380 -8.461 -10.709 1.00 0.00 N ATOM 1290 CA ASN A 85 -4.811 -8.573 -10.971 1.00 0.00 C ATOM 1291 C ASN A 85 -5.603 -8.577 -9.667 1.00 0.00 C ATOM 1292 O ASN A 85 -6.153 -9.602 -9.265 1.00 0.00 O ATOM 1293 CB ASN A 85 -5.108 -9.845 -11.770 1.00 0.00 C ATOM 1294 CG ASN A 85 -5.212 -9.581 -13.259 1.00 0.00 C ATOM 1295 OD1 ASN A 85 -5.666 -8.518 -13.683 1.00 0.00 O ATOM 1296 ND2 ASN A 85 -4.791 -10.551 -14.062 1.00 0.00 N ATOM 0 H ASN A 85 -2.950 -7.609 -11.070 1.00 0.00 H new ATOM 0 HA ASN A 85 -5.117 -7.707 -11.558 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -4.321 -10.577 -11.588 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -6.041 -10.284 -11.416 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -4.837 -10.431 -15.074 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -4.422 -11.416 -13.667 1.00 0.00 H new ATOM 1303 N LEU A 86 -5.654 -7.423 -9.009 1.00 0.00 N ATOM 1304 CA LEU A 86 -6.377 -7.292 -7.750 1.00 0.00 C ATOM 1305 C LEU A 86 -6.837 -5.853 -7.533 1.00 0.00 C ATOM 1306 O LEU A 86 -6.019 -4.949 -7.369 1.00 0.00 O ATOM 1307 CB LEU A 86 -5.496 -7.739 -6.582 1.00 0.00 C ATOM 1308 CG LEU A 86 -5.196 -9.237 -6.535 1.00 0.00 C ATOM 1309 CD1 LEU A 86 -4.210 -9.550 -5.419 1.00 0.00 C ATOM 1310 CD2 LEU A 86 -6.480 -10.032 -6.352 1.00 0.00 C ATOM 0 H LEU A 86 -5.203 -6.565 -9.327 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.257 -7.933 -7.798 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.552 -7.196 -6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.982 -7.452 -5.649 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.744 -9.527 -7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.009 -10.621 -5.401 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.280 -9.009 -5.593 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.634 -9.245 -4.462 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.248 -11.096 -6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -6.960 -9.738 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -7.154 -9.832 -7.185 1.00 0.00 H new ATOM 1322 N MET A 87 -8.150 -5.651 -7.536 1.00 0.00 N ATOM 1323 CA MET A 87 -8.719 -4.322 -7.341 1.00 0.00 C ATOM 1324 C MET A 87 -9.188 -4.126 -5.899 1.00 0.00 C ATOM 1325 O MET A 87 -9.399 -2.997 -5.456 1.00 0.00 O ATOM 1326 CB MET A 87 -9.889 -4.101 -8.302 1.00 0.00 C ATOM 1327 CG MET A 87 -9.461 -3.929 -9.751 1.00 0.00 C ATOM 1328 SD MET A 87 -9.962 -2.340 -10.445 1.00 0.00 S ATOM 1329 CE MET A 87 -8.693 -1.265 -9.780 1.00 0.00 C ATOM 0 H MET A 87 -8.840 -6.390 -7.671 1.00 0.00 H new ATOM 0 HA MET A 87 -7.938 -3.590 -7.549 1.00 0.00 H new ATOM 0 HB2 MET A 87 -10.572 -4.948 -8.231 1.00 0.00 H new ATOM 0 HB3 MET A 87 -10.444 -3.217 -7.988 1.00 0.00 H new ATOM 0 HG2 MET A 87 -8.377 -4.024 -9.819 1.00 0.00 H new ATOM 0 HG3 MET A 87 -9.890 -4.733 -10.349 1.00 0.00 H new ATOM 0 HE1 MET A 87 -8.327 -0.604 -10.566 1.00 0.00 H new ATOM 0 HE2 MET A 87 -9.110 -0.668 -8.969 1.00 0.00 H new ATOM 0 HE3 MET A 87 -7.868 -1.868 -9.399 1.00 0.00 H new ATOM 1339 N GLU A 88 -9.350 -5.229 -5.172 1.00 0.00 N ATOM 1340 CA GLU A 88 -9.794 -5.171 -3.783 1.00 0.00 C ATOM 1341 C GLU A 88 -8.883 -4.271 -2.952 1.00 0.00 C ATOM 1342 O GLU A 88 -9.342 -3.572 -2.049 1.00 0.00 O ATOM 1343 CB GLU A 88 -9.829 -6.576 -3.178 1.00 0.00 C ATOM 1344 CG GLU A 88 -10.427 -6.621 -1.782 1.00 0.00 C ATOM 1345 CD GLU A 88 -10.569 -8.036 -1.254 1.00 0.00 C ATOM 1346 OE1 GLU A 88 -11.315 -8.826 -1.869 1.00 0.00 O ATOM 1347 OE2 GLU A 88 -9.934 -8.353 -0.227 1.00 0.00 O ATOM 0 H GLU A 88 -9.181 -6.172 -5.522 1.00 0.00 H new ATOM 0 HA GLU A 88 -10.799 -4.749 -3.769 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.405 -7.230 -3.832 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -8.814 -6.973 -3.143 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -9.799 -6.045 -1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -11.406 -6.142 -1.794 1.00 0.00 H new ATOM 1354 N LEU A 89 -7.591 -4.293 -3.264 1.00 0.00 N ATOM 1355 CA LEU A 89 -6.619 -3.478 -2.546 1.00 0.00 C ATOM 1356 C LEU A 89 -6.441 -2.122 -3.222 1.00 0.00 C ATOM 1357 O LEU A 89 -6.185 -1.117 -2.559 1.00 0.00 O ATOM 1358 CB LEU A 89 -5.275 -4.203 -2.463 1.00 0.00 C ATOM 1359 CG LEU A 89 -5.087 -5.080 -1.223 1.00 0.00 C ATOM 1360 CD1 LEU A 89 -3.781 -5.854 -1.309 1.00 0.00 C ATOM 1361 CD2 LEU A 89 -5.125 -4.231 0.039 1.00 0.00 C ATOM 0 H LEU A 89 -7.194 -4.866 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.995 -3.313 -1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.160 -4.826 -3.350 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.477 -3.461 -2.489 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.907 -5.797 -1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.665 -6.472 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.793 -6.491 -2.193 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.947 -5.155 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.990 -4.870 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.326 -3.491 0.004 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.087 -3.723 0.107 1.00 0.00 H new ATOM 1373 N VAL A 90 -6.578 -2.101 -4.543 1.00 0.00 N ATOM 1374 CA VAL A 90 -6.432 -0.868 -5.306 1.00 0.00 C ATOM 1375 C VAL A 90 -7.496 0.150 -4.907 1.00 0.00 C ATOM 1376 O VAL A 90 -7.226 1.348 -4.831 1.00 0.00 O ATOM 1377 CB VAL A 90 -6.526 -1.127 -6.822 1.00 0.00 C ATOM 1378 CG1 VAL A 90 -6.262 0.150 -7.605 1.00 0.00 C ATOM 1379 CG2 VAL A 90 -5.557 -2.224 -7.238 1.00 0.00 C ATOM 0 H VAL A 90 -6.790 -2.924 -5.107 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.444 -0.469 -5.077 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.539 -1.460 -7.049 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.334 -0.057 -8.673 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.000 0.904 -7.331 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.263 0.519 -7.373 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.638 -2.393 -8.312 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.539 -1.922 -6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.800 -3.144 -6.707 1.00 0.00 H new ATOM 1389 N ASP A 91 -8.707 -0.336 -4.655 1.00 0.00 N ATOM 1390 CA ASP A 91 -9.812 0.530 -4.263 1.00 0.00 C ATOM 1391 C ASP A 91 -9.564 1.143 -2.888 1.00 0.00 C ATOM 1392 O ASP A 91 -10.010 2.255 -2.604 1.00 0.00 O ATOM 1393 CB ASP A 91 -11.125 -0.257 -4.256 1.00 0.00 C ATOM 1394 CG ASP A 91 -12.263 0.513 -4.897 1.00 0.00 C ATOM 1395 OD1 ASP A 91 -12.041 1.120 -5.966 1.00 0.00 O ATOM 1396 OD2 ASP A 91 -13.376 0.510 -4.330 1.00 0.00 O ATOM 0 H ASP A 91 -8.948 -1.325 -4.715 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.884 1.338 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -10.984 -1.199 -4.785 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.391 -0.506 -3.229 1.00 0.00 H new ATOM 1401 N TYR A 92 -8.849 0.411 -2.039 1.00 0.00 N ATOM 1402 CA TYR A 92 -8.542 0.884 -0.694 1.00 0.00 C ATOM 1403 C TYR A 92 -7.454 1.953 -0.728 1.00 0.00 C ATOM 1404 O TYR A 92 -7.617 3.036 -0.168 1.00 0.00 O ATOM 1405 CB TYR A 92 -8.100 -0.283 0.190 1.00 0.00 C ATOM 1406 CG TYR A 92 -7.783 0.120 1.613 1.00 0.00 C ATOM 1407 CD1 TYR A 92 -8.714 0.800 2.386 1.00 0.00 C ATOM 1408 CD2 TYR A 92 -6.551 -0.181 2.182 1.00 0.00 C ATOM 1409 CE1 TYR A 92 -8.428 1.171 3.686 1.00 0.00 C ATOM 1410 CE2 TYR A 92 -6.258 0.186 3.481 1.00 0.00 C ATOM 1411 CZ TYR A 92 -7.199 0.861 4.229 1.00 0.00 C ATOM 1412 OH TYR A 92 -6.910 1.227 5.524 1.00 0.00 O ATOM 0 H TYR A 92 -8.472 -0.511 -2.259 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.446 1.326 -0.275 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.887 -1.037 0.202 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.219 -0.749 -0.252 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.678 1.043 1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -5.811 -0.710 1.599 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.163 1.701 4.274 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -5.296 -0.055 3.909 1.00 0.00 H new ATOM 0 HH TYR A 92 -6.004 0.932 5.753 1.00 0.00 H new ATOM 1422 N LEU A 93 -6.345 1.640 -1.389 1.00 0.00 N ATOM 1423 CA LEU A 93 -5.230 2.574 -1.497 1.00 0.00 C ATOM 1424 C LEU A 93 -5.664 3.863 -2.189 1.00 0.00 C ATOM 1425 O LEU A 93 -5.195 4.949 -1.851 1.00 0.00 O ATOM 1426 CB LEU A 93 -4.072 1.933 -2.265 1.00 0.00 C ATOM 1427 CG LEU A 93 -3.564 0.611 -1.686 1.00 0.00 C ATOM 1428 CD1 LEU A 93 -2.372 0.104 -2.483 1.00 0.00 C ATOM 1429 CD2 LEU A 93 -3.196 0.779 -0.219 1.00 0.00 C ATOM 0 H LEU A 93 -6.194 0.747 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.896 2.819 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.388 1.764 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.243 2.640 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.363 -0.127 -1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -2.023 -0.837 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.668 -0.054 -3.520 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.569 0.840 -2.444 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -2.837 -0.171 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.413 1.531 -0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.075 1.097 0.342 1.00 0.00 H new ATOM 1441 N ASN A 94 -6.562 3.732 -3.160 1.00 0.00 N ATOM 1442 CA ASN A 94 -7.058 4.886 -3.900 1.00 0.00 C ATOM 1443 C ASN A 94 -7.893 5.792 -3.000 1.00 0.00 C ATOM 1444 O ASN A 94 -7.815 7.017 -3.093 1.00 0.00 O ATOM 1445 CB ASN A 94 -7.893 4.429 -5.099 1.00 0.00 C ATOM 1446 CG ASN A 94 -7.065 4.289 -6.361 1.00 0.00 C ATOM 1447 OD1 ASN A 94 -5.956 4.817 -6.451 1.00 0.00 O ATOM 1448 ND2 ASN A 94 -7.601 3.576 -7.344 1.00 0.00 N ATOM 0 H ASN A 94 -6.960 2.840 -3.452 1.00 0.00 H new ATOM 0 HA ASN A 94 -6.199 5.453 -4.259 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -8.362 3.473 -4.868 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -8.696 5.145 -5.273 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -7.091 3.448 -8.218 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.523 3.156 -7.226 1.00 0.00 H new ATOM 1455 N GLN A 95 -8.691 5.181 -2.131 1.00 0.00 N ATOM 1456 CA GLN A 95 -9.539 5.933 -1.214 1.00 0.00 C ATOM 1457 C GLN A 95 -8.697 6.788 -0.271 1.00 0.00 C ATOM 1458 O GLN A 95 -9.116 7.868 0.144 1.00 0.00 O ATOM 1459 CB GLN A 95 -10.425 4.980 -0.408 1.00 0.00 C ATOM 1460 CG GLN A 95 -11.901 5.078 -0.760 1.00 0.00 C ATOM 1461 CD GLN A 95 -12.346 3.989 -1.717 1.00 0.00 C ATOM 1462 OE1 GLN A 95 -12.218 4.125 -2.934 1.00 0.00 O ATOM 1463 NE2 GLN A 95 -12.871 2.899 -1.170 1.00 0.00 N ATOM 0 H GLN A 95 -8.768 4.168 -2.043 1.00 0.00 H new ATOM 0 HA GLN A 95 -10.173 6.595 -1.804 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -10.088 3.957 -0.573 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -10.298 5.190 0.654 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -12.493 5.018 0.153 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.100 6.052 -1.206 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.958 2.829 -0.156 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.187 2.132 -1.764 1.00 0.00 H new ATOM 1472 N VAL A 96 -7.508 6.296 0.062 1.00 0.00 N ATOM 1473 CA VAL A 96 -6.607 7.015 0.955 1.00 0.00 C ATOM 1474 C VAL A 96 -5.528 7.753 0.168 1.00 0.00 C ATOM 1475 O VAL A 96 -4.353 7.386 0.206 1.00 0.00 O ATOM 1476 CB VAL A 96 -5.934 6.062 1.961 1.00 0.00 C ATOM 1477 CG1 VAL A 96 -5.185 6.850 3.025 1.00 0.00 C ATOM 1478 CG2 VAL A 96 -6.965 5.140 2.597 1.00 0.00 C ATOM 0 H VAL A 96 -7.146 5.403 -0.273 1.00 0.00 H new ATOM 0 HA VAL A 96 -7.212 7.738 1.502 1.00 0.00 H new ATOM 0 HB VAL A 96 -5.213 5.446 1.423 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.716 6.160 3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.418 7.463 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.883 7.493 3.561 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -6.471 4.474 3.304 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.712 5.736 3.121 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.452 4.548 1.822 1.00 0.00 H new