USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 598 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot -27:sc= -2.26! USER MOD Set 1.2: A 57 GLN : amide:sc= -8.42! C(o=-11!,f=-14!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.295 X(o=-0.3,f=-0.023) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -65:sc= -0.665 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0777 X(o=-0.078,f=-0.089) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.392 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= 0.142 (180deg=0.00236) USER MOD Single : A 44 GLN : amide:sc= -0.342 K(o=-0.34,f=-2.8!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.524 K(o=-0.52,f=0.09) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 130:sc= -0.515 (180deg=-2.25!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.727 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl 137:sc= -1.64 (180deg=-2.54) USER MOD ----------------------------------------------------------------- ATOM 154 N GLU A 16 9.856 8.516 -10.394 1.00 0.00 N ATOM 155 CA GLU A 16 10.679 7.552 -9.684 1.00 0.00 C ATOM 156 C GLU A 16 9.941 7.031 -8.449 1.00 0.00 C ATOM 157 O GLU A 16 10.506 6.981 -7.358 1.00 0.00 O ATOM 158 CB GLU A 16 12.028 8.162 -9.299 1.00 0.00 C ATOM 159 CG GLU A 16 11.852 9.279 -8.268 1.00 0.00 C ATOM 160 CD GLU A 16 13.124 10.119 -8.147 1.00 0.00 C ATOM 161 OE1 GLU A 16 13.398 10.877 -9.102 1.00 0.00 O ATOM 162 OE2 GLU A 16 13.795 9.984 -7.100 1.00 0.00 O ATOM 0 HA GLU A 16 10.874 6.710 -10.349 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.679 7.387 -8.893 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.519 8.557 -10.188 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.017 9.917 -8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.603 8.848 -7.298 1.00 0.00 H new ATOM 169 N LEU A 17 8.688 6.656 -8.663 1.00 0.00 N ATOM 170 CA LEU A 17 7.866 6.141 -7.581 1.00 0.00 C ATOM 171 C LEU A 17 8.716 5.234 -6.688 1.00 0.00 C ATOM 172 O LEU A 17 9.653 4.593 -7.161 1.00 0.00 O ATOM 173 CB LEU A 17 6.615 5.458 -8.137 1.00 0.00 C ATOM 174 CG LEU A 17 5.744 6.306 -9.066 1.00 0.00 C ATOM 175 CD1 LEU A 17 5.737 7.771 -8.623 1.00 0.00 C ATOM 176 CD2 LEU A 17 6.182 6.150 -10.523 1.00 0.00 C ATOM 0 H LEU A 17 8.222 6.699 -9.569 1.00 0.00 H new ATOM 0 HA LEU A 17 7.504 6.957 -6.956 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.924 4.563 -8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.002 5.128 -7.298 1.00 0.00 H new ATOM 0 HG LEU A 17 4.718 5.943 -8.998 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.111 8.353 -9.300 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.341 7.843 -7.610 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.754 8.162 -8.644 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.546 6.763 -11.162 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.219 6.470 -10.628 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.094 5.105 -10.820 1.00 0.00 H new ATOM 188 N VAL A 18 8.359 5.211 -5.413 1.00 0.00 N ATOM 189 CA VAL A 18 9.077 4.394 -4.449 1.00 0.00 C ATOM 190 C VAL A 18 8.480 2.986 -4.435 1.00 0.00 C ATOM 191 O VAL A 18 7.263 2.823 -4.508 1.00 0.00 O ATOM 192 CB VAL A 18 9.056 5.066 -3.075 1.00 0.00 C ATOM 193 CG1 VAL A 18 7.632 5.461 -2.679 1.00 0.00 C ATOM 194 CG2 VAL A 18 9.690 4.164 -2.014 1.00 0.00 C ATOM 0 H VAL A 18 7.582 5.745 -5.024 1.00 0.00 H new ATOM 0 HA VAL A 18 10.125 4.300 -4.734 1.00 0.00 H new ATOM 0 HB VAL A 18 9.651 5.977 -3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.646 5.937 -1.698 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.230 6.158 -3.415 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.004 4.571 -2.642 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.662 4.665 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.135 3.228 -1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.725 3.955 -2.285 1.00 0.00 H new ATOM 204 N ASP A 19 9.364 2.003 -4.342 1.00 0.00 N ATOM 205 CA ASP A 19 8.939 0.614 -4.318 1.00 0.00 C ATOM 206 C ASP A 19 8.478 0.251 -2.905 1.00 0.00 C ATOM 207 O ASP A 19 9.259 0.313 -1.957 1.00 0.00 O ATOM 208 CB ASP A 19 10.091 -0.321 -4.693 1.00 0.00 C ATOM 209 CG ASP A 19 10.450 -0.338 -6.180 1.00 0.00 C ATOM 210 OD1 ASP A 19 10.516 0.766 -6.762 1.00 0.00 O ATOM 211 OD2 ASP A 19 10.651 -1.456 -6.702 1.00 0.00 O ATOM 0 H ASP A 19 10.373 2.141 -4.282 1.00 0.00 H new ATOM 0 HA ASP A 19 8.129 0.497 -5.038 1.00 0.00 H new ATOM 0 HB2 ASP A 19 10.975 -0.031 -4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.832 -1.334 -4.385 1.00 0.00 H new ATOM 216 N LEU A 20 7.209 -0.120 -2.808 1.00 0.00 N ATOM 217 CA LEU A 20 6.634 -0.493 -1.527 1.00 0.00 C ATOM 218 C LEU A 20 5.946 -1.853 -1.659 1.00 0.00 C ATOM 219 O LEU A 20 5.387 -2.171 -2.707 1.00 0.00 O ATOM 220 CB LEU A 20 5.714 0.614 -1.010 1.00 0.00 C ATOM 221 CG LEU A 20 6.332 2.010 -0.915 1.00 0.00 C ATOM 222 CD1 LEU A 20 5.274 3.056 -0.558 1.00 0.00 C ATOM 223 CD2 LEU A 20 7.505 2.024 0.068 1.00 0.00 C ATOM 0 H LEU A 20 6.563 -0.170 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 20 7.416 -0.602 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.842 0.668 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.356 0.329 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 20 6.729 2.275 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.741 4.039 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.501 3.068 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.826 2.807 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.927 3.028 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.154 1.729 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.271 1.325 -0.269 1.00 0.00 H new ATOM 235 N LYS A 21 6.009 -2.620 -0.580 1.00 0.00 N ATOM 236 CA LYS A 21 5.399 -3.938 -0.562 1.00 0.00 C ATOM 237 C LYS A 21 4.023 -3.850 0.101 1.00 0.00 C ATOM 238 O LYS A 21 3.912 -3.447 1.258 1.00 0.00 O ATOM 239 CB LYS A 21 6.335 -4.953 0.099 1.00 0.00 C ATOM 240 CG LYS A 21 6.861 -5.961 -0.925 1.00 0.00 C ATOM 241 CD LYS A 21 8.278 -6.415 -0.569 1.00 0.00 C ATOM 242 CE LYS A 21 9.324 -5.568 -1.297 1.00 0.00 C ATOM 243 NZ LYS A 21 10.663 -6.189 -1.184 1.00 0.00 N ATOM 0 H LYS A 21 6.473 -2.353 0.288 1.00 0.00 H new ATOM 0 HA LYS A 21 5.242 -4.298 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.172 -4.432 0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.805 -5.479 0.893 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.198 -6.825 -0.964 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.858 -5.511 -1.918 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.428 -6.339 0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.405 -7.464 -0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.051 -5.466 -2.347 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.346 -4.563 -0.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.361 -5.602 -1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 10.927 -6.264 -0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.642 -7.138 -1.608 1.00 0.00 H new ATOM 257 N ILE A 22 3.009 -4.232 -0.661 1.00 0.00 N ATOM 258 CA ILE A 22 1.645 -4.201 -0.163 1.00 0.00 C ATOM 259 C ILE A 22 1.365 -5.482 0.626 1.00 0.00 C ATOM 260 O ILE A 22 0.880 -6.465 0.069 1.00 0.00 O ATOM 261 CB ILE A 22 0.661 -3.957 -1.309 1.00 0.00 C ATOM 262 CG1 ILE A 22 1.178 -2.871 -2.254 1.00 0.00 C ATOM 263 CG2 ILE A 22 -0.736 -3.634 -0.773 1.00 0.00 C ATOM 264 CD1 ILE A 22 0.983 -1.479 -1.649 1.00 0.00 C ATOM 0 H ILE A 22 3.105 -4.565 -1.620 1.00 0.00 H new ATOM 0 HA ILE A 22 1.510 -3.366 0.525 1.00 0.00 H new ATOM 0 HB ILE A 22 0.578 -4.876 -1.890 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.235 -3.037 -2.460 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.653 -2.934 -3.207 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.416 -3.465 -1.608 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.098 -4.469 -0.174 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.690 -2.737 -0.155 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.359 -0.726 -2.341 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.078 -1.307 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.529 -1.412 -0.708 1.00 0.00 H new ATOM 276 N ILE A 23 1.683 -5.429 1.911 1.00 0.00 N ATOM 277 CA ILE A 23 1.472 -6.572 2.782 1.00 0.00 C ATOM 278 C ILE A 23 0.023 -6.574 3.273 1.00 0.00 C ATOM 279 O ILE A 23 -0.503 -5.535 3.669 1.00 0.00 O ATOM 280 CB ILE A 23 2.504 -6.583 3.912 1.00 0.00 C ATOM 281 CG1 ILE A 23 3.902 -6.259 3.381 1.00 0.00 C ATOM 282 CG2 ILE A 23 2.473 -7.911 4.671 1.00 0.00 C ATOM 283 CD1 ILE A 23 4.506 -7.464 2.658 1.00 0.00 C ATOM 0 H ILE A 23 2.085 -4.612 2.370 1.00 0.00 H new ATOM 0 HA ILE A 23 1.624 -7.501 2.233 1.00 0.00 H new ATOM 0 HB ILE A 23 2.240 -5.800 4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.848 -5.410 2.699 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.549 -5.964 4.207 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.216 -7.892 5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.483 -8.061 5.101 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.698 -8.728 3.985 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.499 -7.207 2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.581 -8.303 3.349 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.869 -7.741 1.818 1.00 0.00 H new ATOM 295 N TRP A 24 -0.581 -7.752 3.231 1.00 0.00 N ATOM 296 CA TRP A 24 -1.960 -7.902 3.667 1.00 0.00 C ATOM 297 C TRP A 24 -2.243 -9.396 3.833 1.00 0.00 C ATOM 298 O TRP A 24 -2.086 -10.170 2.890 1.00 0.00 O ATOM 299 CB TRP A 24 -2.920 -7.217 2.693 1.00 0.00 C ATOM 300 CG TRP A 24 -4.382 -7.234 3.145 1.00 0.00 C ATOM 301 CD1 TRP A 24 -4.859 -7.373 4.389 1.00 0.00 C ATOM 302 CD2 TRP A 24 -5.544 -7.101 2.300 1.00 0.00 C ATOM 303 NE1 TRP A 24 -6.238 -7.339 4.408 1.00 0.00 N ATOM 304 CE2 TRP A 24 -6.668 -7.168 3.098 1.00 0.00 C ATOM 305 CE3 TRP A 24 -5.643 -6.928 0.908 1.00 0.00 C ATOM 306 CZ2 TRP A 24 -7.972 -7.073 2.595 1.00 0.00 C ATOM 307 CZ3 TRP A 24 -6.952 -6.835 0.422 1.00 0.00 C ATOM 308 CH2 TRP A 24 -8.094 -6.902 1.211 1.00 0.00 C ATOM 0 H TRP A 24 -0.142 -8.612 2.902 1.00 0.00 H new ATOM 0 HA TRP A 24 -2.117 -7.409 4.626 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.605 -6.183 2.555 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.845 -7.705 1.721 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -4.242 -7.496 5.267 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.833 -7.424 5.232 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.777 -6.871 0.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -8.836 -7.129 3.240 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -7.084 -6.702 -0.642 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -9.071 -6.822 0.758 1.00 0.00 H new ATOM 319 N ASN A 25 -2.654 -9.757 5.040 1.00 0.00 N ATOM 320 CA ASN A 25 -2.961 -11.145 5.342 1.00 0.00 C ATOM 321 C ASN A 25 -1.696 -11.990 5.174 1.00 0.00 C ATOM 322 O ASN A 25 -1.042 -12.336 6.156 1.00 0.00 O ATOM 323 CB ASN A 25 -4.026 -11.694 4.390 1.00 0.00 C ATOM 324 CG ASN A 25 -5.408 -11.136 4.734 1.00 0.00 C ATOM 325 OD1 ASN A 25 -6.083 -10.532 3.917 1.00 0.00 O ATOM 326 ND2 ASN A 25 -5.791 -11.373 5.986 1.00 0.00 N ATOM 0 H ASN A 25 -2.782 -9.112 5.820 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.333 -11.193 6.365 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.770 -11.434 3.363 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.044 -12.782 4.448 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.699 -11.042 6.313 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.177 -11.885 6.619 1.00 0.00 H new ATOM 333 N LYS A 26 -1.391 -12.299 3.922 1.00 0.00 N ATOM 334 CA LYS A 26 -0.216 -13.097 3.613 1.00 0.00 C ATOM 335 C LYS A 26 0.080 -13.002 2.115 1.00 0.00 C ATOM 336 O LYS A 26 0.458 -13.991 1.490 1.00 0.00 O ATOM 337 CB LYS A 26 -0.396 -14.531 4.115 1.00 0.00 C ATOM 338 CG LYS A 26 0.344 -14.746 5.437 1.00 0.00 C ATOM 339 CD LYS A 26 1.624 -15.556 5.223 1.00 0.00 C ATOM 340 CE LYS A 26 1.354 -17.055 5.364 1.00 0.00 C ATOM 341 NZ LYS A 26 2.341 -17.835 4.584 1.00 0.00 N ATOM 0 H LYS A 26 -1.937 -12.011 3.110 1.00 0.00 H new ATOM 0 HA LYS A 26 0.658 -12.708 4.136 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.457 -14.743 4.249 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.023 -15.231 3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.590 -13.782 5.881 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.306 -15.265 6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.029 -15.347 4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.378 -15.249 5.947 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.403 -17.342 6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.346 -17.283 5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.143 -18.850 4.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.275 -17.573 3.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.299 -17.630 4.933 1.00 0.00 H new ATOM 355 N THR A 27 -0.104 -11.802 1.583 1.00 0.00 N ATOM 356 CA THR A 27 0.139 -11.565 0.170 1.00 0.00 C ATOM 357 C THR A 27 1.142 -10.425 -0.015 1.00 0.00 C ATOM 358 O THR A 27 1.292 -9.577 0.863 1.00 0.00 O ATOM 359 CB THR A 27 -1.209 -11.304 -0.504 1.00 0.00 C ATOM 360 OG1 THR A 27 -1.938 -10.548 0.460 1.00 0.00 O ATOM 361 CG2 THR A 27 -2.034 -12.580 -0.678 1.00 0.00 C ATOM 0 H THR A 27 -0.418 -10.984 2.105 1.00 0.00 H new ATOM 0 HA THR A 27 0.593 -12.435 -0.305 1.00 0.00 H new ATOM 0 HB THR A 27 -1.044 -10.843 -1.478 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.108 -11.102 1.250 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.981 -12.338 -1.161 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.482 -13.289 -1.296 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.228 -13.024 0.298 1.00 0.00 H new ATOM 369 N LYS A 28 1.803 -10.441 -1.163 1.00 0.00 N ATOM 370 CA LYS A 28 2.788 -9.419 -1.474 1.00 0.00 C ATOM 371 C LYS A 28 2.552 -8.906 -2.896 1.00 0.00 C ATOM 372 O LYS A 28 2.413 -9.695 -3.829 1.00 0.00 O ATOM 373 CB LYS A 28 4.204 -9.950 -1.239 1.00 0.00 C ATOM 374 CG LYS A 28 4.502 -11.140 -2.153 1.00 0.00 C ATOM 375 CD LYS A 28 5.675 -11.963 -1.616 1.00 0.00 C ATOM 376 CE LYS A 28 6.951 -11.682 -2.412 1.00 0.00 C ATOM 377 NZ LYS A 28 7.092 -12.649 -3.524 1.00 0.00 N ATOM 0 H LYS A 28 1.676 -11.146 -1.889 1.00 0.00 H new ATOM 0 HA LYS A 28 2.677 -8.566 -0.804 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.929 -9.156 -1.421 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.315 -10.250 -0.197 1.00 0.00 H new ATOM 0 HG2 LYS A 28 3.617 -11.771 -2.234 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.733 -10.783 -3.157 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.839 -11.727 -0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.434 -13.025 -1.671 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.924 -10.666 -2.807 1.00 0.00 H new ATOM 0 HE3 LYS A 28 7.818 -11.746 -1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.963 -12.444 -4.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.139 -13.615 -3.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 6.273 -12.569 -4.160 1.00 0.00 H new ATOM 391 N HIS A 29 2.513 -7.587 -3.016 1.00 0.00 N ATOM 392 CA HIS A 29 2.296 -6.959 -4.308 1.00 0.00 C ATOM 393 C HIS A 29 3.271 -5.793 -4.482 1.00 0.00 C ATOM 394 O HIS A 29 3.278 -4.860 -3.681 1.00 0.00 O ATOM 395 CB HIS A 29 0.834 -6.539 -4.469 1.00 0.00 C ATOM 396 CG HIS A 29 -0.152 -7.669 -4.300 1.00 0.00 C ATOM 397 ND1 HIS A 29 -0.196 -8.760 -5.151 1.00 0.00 N ATOM 398 CD2 HIS A 29 -1.129 -7.867 -3.369 1.00 0.00 C ATOM 399 CE1 HIS A 29 -1.161 -9.571 -4.741 1.00 0.00 C ATOM 400 NE2 HIS A 29 -1.738 -9.016 -3.637 1.00 0.00 N ATOM 0 H HIS A 29 2.628 -6.936 -2.239 1.00 0.00 H new ATOM 0 HA HIS A 29 2.497 -7.676 -5.104 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.608 -5.761 -3.740 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.700 -6.098 -5.457 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.367 -7.202 -2.552 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.441 -10.507 -5.201 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.510 -9.417 -3.105 1.00 0.00 H new ATOM 408 N ASP A 30 4.071 -5.884 -5.535 1.00 0.00 N ATOM 409 CA ASP A 30 5.048 -4.848 -5.824 1.00 0.00 C ATOM 410 C ASP A 30 4.370 -3.717 -6.600 1.00 0.00 C ATOM 411 O ASP A 30 3.983 -3.896 -7.754 1.00 0.00 O ATOM 412 CB ASP A 30 6.190 -5.393 -6.684 1.00 0.00 C ATOM 413 CG ASP A 30 7.328 -6.054 -5.904 1.00 0.00 C ATOM 414 OD1 ASP A 30 8.128 -5.296 -5.314 1.00 0.00 O ATOM 415 OD2 ASP A 30 7.372 -7.303 -5.914 1.00 0.00 O ATOM 0 H ASP A 30 4.062 -6.659 -6.198 1.00 0.00 H new ATOM 0 HA ASP A 30 5.450 -4.489 -4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.781 -6.119 -7.386 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.602 -4.575 -7.275 1.00 0.00 H new ATOM 420 N VAL A 31 4.248 -2.577 -5.936 1.00 0.00 N ATOM 421 CA VAL A 31 3.624 -1.417 -6.549 1.00 0.00 C ATOM 422 C VAL A 31 4.521 -0.194 -6.347 1.00 0.00 C ATOM 423 O VAL A 31 5.125 -0.031 -5.288 1.00 0.00 O ATOM 424 CB VAL A 31 2.214 -1.223 -5.988 1.00 0.00 C ATOM 425 CG1 VAL A 31 1.269 -2.316 -6.491 1.00 0.00 C ATOM 426 CG2 VAL A 31 2.234 -1.177 -4.459 1.00 0.00 C ATOM 0 H VAL A 31 4.571 -2.432 -4.979 1.00 0.00 H new ATOM 0 HA VAL A 31 3.514 -1.566 -7.623 1.00 0.00 H new ATOM 0 HB VAL A 31 1.839 -0.265 -6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.273 -2.155 -6.077 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.220 -2.282 -7.579 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.640 -3.291 -6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.219 -1.038 -4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.638 -2.112 -4.072 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.859 -0.347 -4.128 1.00 0.00 H new ATOM 436 N LYS A 32 4.579 0.635 -7.379 1.00 0.00 N ATOM 437 CA LYS A 32 5.392 1.838 -7.327 1.00 0.00 C ATOM 438 C LYS A 32 4.487 3.050 -7.097 1.00 0.00 C ATOM 439 O LYS A 32 3.633 3.358 -7.926 1.00 0.00 O ATOM 440 CB LYS A 32 6.263 1.950 -8.580 1.00 0.00 C ATOM 441 CG LYS A 32 5.475 2.557 -9.743 1.00 0.00 C ATOM 442 CD LYS A 32 6.123 2.208 -11.085 1.00 0.00 C ATOM 443 CE LYS A 32 5.066 2.063 -12.182 1.00 0.00 C ATOM 444 NZ LYS A 32 5.711 1.844 -13.496 1.00 0.00 N ATOM 0 H LYS A 32 4.076 0.497 -8.256 1.00 0.00 H new ATOM 0 HA LYS A 32 6.086 1.793 -6.487 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.136 2.567 -8.366 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.631 0.963 -8.861 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.449 2.189 -9.724 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.427 3.640 -9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.836 2.985 -11.362 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.685 1.279 -10.991 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.405 1.228 -11.951 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.446 2.959 -12.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.980 1.748 -14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.323 2.654 -13.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.283 0.976 -13.461 1.00 0.00 H new ATOM 458 N VAL A 33 4.707 3.706 -5.967 1.00 0.00 N ATOM 459 CA VAL A 33 3.922 4.877 -5.617 1.00 0.00 C ATOM 460 C VAL A 33 4.864 6.030 -5.262 1.00 0.00 C ATOM 461 O VAL A 33 5.997 5.802 -4.842 1.00 0.00 O ATOM 462 CB VAL A 33 2.945 4.535 -4.490 1.00 0.00 C ATOM 463 CG1 VAL A 33 2.158 3.264 -4.814 1.00 0.00 C ATOM 464 CG2 VAL A 33 3.675 4.403 -3.152 1.00 0.00 C ATOM 0 H VAL A 33 5.418 3.449 -5.282 1.00 0.00 H new ATOM 0 HA VAL A 33 3.319 5.199 -6.466 1.00 0.00 H new ATOM 0 HB VAL A 33 2.233 5.356 -4.403 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.471 3.043 -3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.592 3.411 -5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 33 2.849 2.431 -4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.957 4.160 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.420 3.610 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.168 5.345 -2.912 1.00 0.00 H new ATOM 474 N PRO A 34 4.347 7.273 -5.449 1.00 0.00 N ATOM 475 CA PRO A 34 5.129 8.461 -5.153 1.00 0.00 C ATOM 476 C PRO A 34 5.227 8.692 -3.644 1.00 0.00 C ATOM 477 O PRO A 34 4.362 8.254 -2.888 1.00 0.00 O ATOM 478 CB PRO A 34 4.419 9.591 -5.881 1.00 0.00 C ATOM 479 CG PRO A 34 3.016 9.083 -6.171 1.00 0.00 C ATOM 480 CD PRO A 34 3.008 7.580 -5.945 1.00 0.00 C ATOM 0 HA PRO A 34 6.163 8.377 -5.487 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.389 10.492 -5.269 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.939 9.849 -6.803 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.291 9.571 -5.519 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.730 9.316 -7.197 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.243 7.292 -5.224 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.795 7.042 -6.868 1.00 0.00 H new ATOM 488 N LEU A 35 6.290 9.378 -3.250 1.00 0.00 N ATOM 489 CA LEU A 35 6.513 9.672 -1.845 1.00 0.00 C ATOM 490 C LEU A 35 5.642 10.861 -1.432 1.00 0.00 C ATOM 491 O LEU A 35 5.354 11.043 -0.251 1.00 0.00 O ATOM 492 CB LEU A 35 8.004 9.877 -1.570 1.00 0.00 C ATOM 493 CG LEU A 35 8.565 9.158 -0.342 1.00 0.00 C ATOM 494 CD1 LEU A 35 8.121 7.694 -0.313 1.00 0.00 C ATOM 495 CD2 LEU A 35 10.087 9.297 -0.272 1.00 0.00 C ATOM 0 H LEU A 35 7.007 9.739 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 35 6.212 8.826 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.563 9.548 -2.446 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.189 10.945 -1.457 1.00 0.00 H new ATOM 0 HG LEU A 35 8.157 9.636 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.534 7.206 0.570 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.033 7.644 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.480 7.187 -1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.460 8.777 0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.534 8.861 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.354 10.352 -0.211 1.00 0.00 H new ATOM 507 N ASP A 36 5.249 11.639 -2.430 1.00 0.00 N ATOM 508 CA ASP A 36 4.417 12.806 -2.185 1.00 0.00 C ATOM 509 C ASP A 36 3.063 12.354 -1.635 1.00 0.00 C ATOM 510 O ASP A 36 2.292 13.169 -1.130 1.00 0.00 O ATOM 511 CB ASP A 36 4.167 13.584 -3.478 1.00 0.00 C ATOM 512 CG ASP A 36 3.866 15.072 -3.289 1.00 0.00 C ATOM 513 OD1 ASP A 36 4.242 15.595 -2.218 1.00 0.00 O ATOM 514 OD2 ASP A 36 3.266 15.653 -4.220 1.00 0.00 O ATOM 0 H ASP A 36 5.491 11.485 -3.409 1.00 0.00 H new ATOM 0 HA ASP A 36 4.936 13.448 -1.473 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.043 13.484 -4.119 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.332 13.124 -4.006 1.00 0.00 H new ATOM 519 N SER A 37 2.815 11.058 -1.751 1.00 0.00 N ATOM 520 CA SER A 37 1.567 10.489 -1.271 1.00 0.00 C ATOM 521 C SER A 37 1.426 10.729 0.233 1.00 0.00 C ATOM 522 O SER A 37 2.337 10.425 1.001 1.00 0.00 O ATOM 523 CB SER A 37 1.489 8.993 -1.580 1.00 0.00 C ATOM 524 OG SER A 37 0.649 8.721 -2.698 1.00 0.00 O ATOM 0 H SER A 37 3.457 10.385 -2.170 1.00 0.00 H new ATOM 0 HA SER A 37 0.745 10.983 -1.789 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.491 8.611 -1.778 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.112 8.462 -0.706 1.00 0.00 H new ATOM 0 HG SER A 37 0.627 7.755 -2.864 1.00 0.00 H new ATOM 530 N THR A 38 0.278 11.273 0.609 1.00 0.00 N ATOM 531 CA THR A 38 0.007 11.557 2.008 1.00 0.00 C ATOM 532 C THR A 38 -0.381 10.275 2.747 1.00 0.00 C ATOM 533 O THR A 38 -1.084 9.427 2.199 1.00 0.00 O ATOM 534 CB THR A 38 -1.069 12.643 2.069 1.00 0.00 C ATOM 535 OG1 THR A 38 -2.274 11.957 1.741 1.00 0.00 O ATOM 536 CG2 THR A 38 -0.917 13.682 0.956 1.00 0.00 C ATOM 0 H THR A 38 -0.475 11.525 -0.031 1.00 0.00 H new ATOM 0 HA THR A 38 0.896 11.931 2.516 1.00 0.00 H new ATOM 0 HB THR A 38 -1.027 13.141 3.038 1.00 0.00 H new ATOM 0 HG1 THR A 38 -3.024 12.587 1.759 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.705 14.429 1.046 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.055 14.168 1.042 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.992 13.190 -0.014 1.00 0.00 H new ATOM 544 N GLY A 39 0.094 10.174 3.980 1.00 0.00 N ATOM 545 CA GLY A 39 -0.194 9.010 4.800 1.00 0.00 C ATOM 546 C GLY A 39 -1.621 8.511 4.561 1.00 0.00 C ATOM 547 O GLY A 39 -1.889 7.315 4.664 1.00 0.00 O ATOM 0 H GLY A 39 0.676 10.880 4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.516 8.215 4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.064 9.261 5.853 1.00 0.00 H new ATOM 551 N SER A 40 -2.498 9.453 4.248 1.00 0.00 N ATOM 552 CA SER A 40 -3.891 9.124 3.994 1.00 0.00 C ATOM 553 C SER A 40 -4.033 8.476 2.615 1.00 0.00 C ATOM 554 O SER A 40 -4.610 7.398 2.488 1.00 0.00 O ATOM 555 CB SER A 40 -4.777 10.367 4.091 1.00 0.00 C ATOM 556 OG SER A 40 -5.860 10.324 3.166 1.00 0.00 O ATOM 0 H SER A 40 -2.272 10.444 4.164 1.00 0.00 H new ATOM 0 HA SER A 40 -4.220 8.417 4.756 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.169 10.455 5.104 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.175 11.257 3.904 1.00 0.00 H new ATOM 0 HG SER A 40 -6.403 11.134 3.260 1.00 0.00 H new ATOM 562 N GLU A 41 -3.496 9.163 1.617 1.00 0.00 N ATOM 563 CA GLU A 41 -3.556 8.668 0.252 1.00 0.00 C ATOM 564 C GLU A 41 -3.147 7.194 0.203 1.00 0.00 C ATOM 565 O GLU A 41 -3.723 6.411 -0.551 1.00 0.00 O ATOM 566 CB GLU A 41 -2.679 9.511 -0.676 1.00 0.00 C ATOM 567 CG GLU A 41 -3.502 10.600 -1.368 1.00 0.00 C ATOM 568 CD GLU A 41 -2.862 11.011 -2.695 1.00 0.00 C ATOM 569 OE1 GLU A 41 -3.039 10.248 -3.670 1.00 0.00 O ATOM 570 OE2 GLU A 41 -2.211 12.078 -2.706 1.00 0.00 O ATOM 0 H GLU A 41 -3.018 10.057 1.726 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.585 8.751 -0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.872 9.968 -0.103 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.215 8.870 -1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.515 10.238 -1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.584 11.469 -0.715 1.00 0.00 H new ATOM 577 N LEU A 42 -2.156 6.861 1.016 1.00 0.00 N ATOM 578 CA LEU A 42 -1.663 5.495 1.075 1.00 0.00 C ATOM 579 C LEU A 42 -2.846 4.527 0.999 1.00 0.00 C ATOM 580 O LEU A 42 -2.891 3.665 0.122 1.00 0.00 O ATOM 581 CB LEU A 42 -0.784 5.296 2.311 1.00 0.00 C ATOM 582 CG LEU A 42 0.727 5.325 2.072 1.00 0.00 C ATOM 583 CD1 LEU A 42 1.483 5.584 3.376 1.00 0.00 C ATOM 584 CD2 LEU A 42 1.197 4.044 1.381 1.00 0.00 C ATOM 0 H LEU A 42 -1.681 7.513 1.640 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.022 5.284 0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.032 6.070 3.037 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.042 4.339 2.765 1.00 0.00 H new ATOM 0 HG LEU A 42 0.951 6.154 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.555 5.600 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.176 6.545 3.790 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.258 4.792 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.274 4.090 1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.959 3.184 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.693 3.943 0.420 1.00 0.00 H new ATOM 596 N LYS A 43 -3.774 4.703 1.928 1.00 0.00 N ATOM 597 CA LYS A 43 -4.953 3.855 1.976 1.00 0.00 C ATOM 598 C LYS A 43 -5.593 3.799 0.588 1.00 0.00 C ATOM 599 O LYS A 43 -5.908 2.719 0.089 1.00 0.00 O ATOM 600 CB LYS A 43 -5.908 4.329 3.074 1.00 0.00 C ATOM 601 CG LYS A 43 -5.172 4.503 4.404 1.00 0.00 C ATOM 602 CD LYS A 43 -5.604 3.439 5.414 1.00 0.00 C ATOM 603 CE LYS A 43 -5.396 3.928 6.849 1.00 0.00 C ATOM 604 NZ LYS A 43 -6.685 4.349 7.444 1.00 0.00 N ATOM 0 H LYS A 43 -3.734 5.420 2.653 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.678 2.834 2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.364 5.274 2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.717 3.608 3.194 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.096 4.438 4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.373 5.495 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.654 3.191 5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.033 2.525 5.251 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.953 3.134 7.450 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.695 4.762 6.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.637 4.255 8.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.875 5.341 7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.450 3.747 7.077 1.00 0.00 H new ATOM 618 N GLN A 44 -5.766 4.975 0.002 1.00 0.00 N ATOM 619 CA GLN A 44 -6.362 5.072 -1.319 1.00 0.00 C ATOM 620 C GLN A 44 -5.447 4.428 -2.363 1.00 0.00 C ATOM 621 O GLN A 44 -5.898 4.066 -3.449 1.00 0.00 O ATOM 622 CB GLN A 44 -6.663 6.529 -1.678 1.00 0.00 C ATOM 623 CG GLN A 44 -8.141 6.854 -1.455 1.00 0.00 C ATOM 624 CD GLN A 44 -8.854 7.108 -2.785 1.00 0.00 C ATOM 625 OE1 GLN A 44 -8.242 7.245 -3.831 1.00 0.00 O ATOM 626 NE2 GLN A 44 -10.179 7.164 -2.686 1.00 0.00 N ATOM 0 H GLN A 44 -5.504 5.868 0.418 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.308 4.531 -1.311 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.046 7.192 -1.072 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.400 6.713 -2.720 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -8.623 6.029 -0.932 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -8.231 7.733 -0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.628 7.041 -1.779 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.746 7.330 -3.517 1.00 0.00 H new ATOM 635 N LYS A 45 -4.180 4.305 -1.998 1.00 0.00 N ATOM 636 CA LYS A 45 -3.198 3.711 -2.889 1.00 0.00 C ATOM 637 C LYS A 45 -3.206 2.192 -2.709 1.00 0.00 C ATOM 638 O LYS A 45 -2.997 1.449 -3.667 1.00 0.00 O ATOM 639 CB LYS A 45 -1.824 4.349 -2.674 1.00 0.00 C ATOM 640 CG LYS A 45 -1.220 4.809 -4.002 1.00 0.00 C ATOM 641 CD LYS A 45 -2.177 5.742 -4.746 1.00 0.00 C ATOM 642 CE LYS A 45 -2.636 5.118 -6.065 1.00 0.00 C ATOM 643 NZ LYS A 45 -3.694 5.944 -6.689 1.00 0.00 N ATOM 0 H LYS A 45 -3.810 4.607 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.457 3.911 -3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.915 5.199 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.157 3.632 -2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.276 5.322 -3.818 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.996 3.942 -4.623 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.043 5.955 -4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.683 6.694 -4.942 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.789 5.027 -6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.011 4.110 -5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.994 5.506 -7.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.508 6.010 -6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.324 6.898 -6.877 1.00 0.00 H new ATOM 657 N ILE A 46 -3.450 1.775 -1.475 1.00 0.00 N ATOM 658 CA ILE A 46 -3.487 0.358 -1.158 1.00 0.00 C ATOM 659 C ILE A 46 -4.806 -0.237 -1.657 1.00 0.00 C ATOM 660 O ILE A 46 -4.830 -1.351 -2.179 1.00 0.00 O ATOM 661 CB ILE A 46 -3.240 0.136 0.336 1.00 0.00 C ATOM 662 CG1 ILE A 46 -2.041 0.954 0.820 1.00 0.00 C ATOM 663 CG2 ILE A 46 -3.083 -1.353 0.651 1.00 0.00 C ATOM 664 CD1 ILE A 46 -2.296 1.530 2.214 1.00 0.00 C ATOM 0 H ILE A 46 -3.624 2.394 -0.683 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.683 -0.168 -1.673 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.114 0.490 0.883 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.151 0.325 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.842 1.764 0.119 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.909 -1.483 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.991 -1.883 0.365 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.237 -1.756 0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.428 2.107 2.534 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.172 2.178 2.185 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.470 0.716 2.918 1.00 0.00 H new ATOM 676 N HIS A 47 -5.870 0.531 -1.480 1.00 0.00 N ATOM 677 CA HIS A 47 -7.188 0.094 -1.906 1.00 0.00 C ATOM 678 C HIS A 47 -7.177 -0.180 -3.411 1.00 0.00 C ATOM 679 O HIS A 47 -7.798 -1.134 -3.877 1.00 0.00 O ATOM 680 CB HIS A 47 -8.256 1.110 -1.496 1.00 0.00 C ATOM 681 CG HIS A 47 -9.406 1.218 -2.469 1.00 0.00 C ATOM 682 ND1 HIS A 47 -9.500 2.229 -3.410 1.00 0.00 N ATOM 683 CD2 HIS A 47 -10.508 0.432 -2.638 1.00 0.00 C ATOM 684 CE1 HIS A 47 -10.612 2.050 -4.108 1.00 0.00 C ATOM 685 NE2 HIS A 47 -11.236 0.936 -3.627 1.00 0.00 N ATOM 0 H HIS A 47 -5.846 1.454 -1.047 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.445 -0.839 -1.404 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.647 0.836 -0.516 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -7.790 2.089 -1.390 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -10.748 -0.451 -2.064 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -10.963 2.676 -4.915 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -12.117 0.553 -3.971 1.00 0.00 H new ATOM 693 N SER A 48 -6.463 0.674 -4.130 1.00 0.00 N ATOM 694 CA SER A 48 -6.362 0.536 -5.573 1.00 0.00 C ATOM 695 C SER A 48 -5.824 -0.851 -5.929 1.00 0.00 C ATOM 696 O SER A 48 -5.957 -1.299 -7.067 1.00 0.00 O ATOM 697 CB SER A 48 -5.465 1.622 -6.169 1.00 0.00 C ATOM 698 OG SER A 48 -6.033 2.201 -7.340 1.00 0.00 O ATOM 0 H SER A 48 -5.949 1.464 -3.740 1.00 0.00 H new ATOM 0 HA SER A 48 -7.359 0.653 -5.998 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.296 2.401 -5.425 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.492 1.195 -6.411 1.00 0.00 H new ATOM 0 HG SER A 48 -5.431 2.891 -7.689 1.00 0.00 H new ATOM 704 N ILE A 49 -5.228 -1.493 -4.935 1.00 0.00 N ATOM 705 CA ILE A 49 -4.669 -2.821 -5.130 1.00 0.00 C ATOM 706 C ILE A 49 -5.462 -3.830 -4.297 1.00 0.00 C ATOM 707 O ILE A 49 -6.054 -4.760 -4.841 1.00 0.00 O ATOM 708 CB ILE A 49 -3.169 -2.820 -4.831 1.00 0.00 C ATOM 709 CG1 ILE A 49 -2.546 -1.461 -5.157 1.00 0.00 C ATOM 710 CG2 ILE A 49 -2.463 -3.964 -5.560 1.00 0.00 C ATOM 711 CD1 ILE A 49 -1.059 -1.439 -4.797 1.00 0.00 C ATOM 0 H ILE A 49 -5.120 -1.119 -3.992 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.762 -3.125 -6.173 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.034 -2.988 -3.763 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.670 -1.245 -6.218 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.068 -0.677 -4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.398 -3.940 -5.330 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.883 -4.916 -5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.604 -3.853 -6.635 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.641 -0.462 -5.039 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.940 -1.631 -3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.536 -2.208 -5.365 1.00 0.00 H new ATOM 723 N THR A 50 -5.447 -3.612 -2.990 1.00 0.00 N ATOM 724 CA THR A 50 -6.157 -4.491 -2.076 1.00 0.00 C ATOM 725 C THR A 50 -7.643 -4.547 -2.437 1.00 0.00 C ATOM 726 O THR A 50 -8.293 -5.573 -2.246 1.00 0.00 O ATOM 727 CB THR A 50 -5.896 -4.002 -0.651 1.00 0.00 C ATOM 728 OG1 THR A 50 -6.201 -2.611 -0.699 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.412 -4.044 -0.279 1.00 0.00 C ATOM 0 H THR A 50 -4.954 -2.839 -2.542 1.00 0.00 H new ATOM 0 HA THR A 50 -5.797 -5.517 -2.154 1.00 0.00 H new ATOM 0 HB THR A 50 -6.464 -4.613 0.051 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.060 -2.276 -1.609 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.283 -3.686 0.743 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.047 -5.068 -0.354 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.848 -3.407 -0.960 1.00 0.00 H new ATOM 737 N GLY A 51 -8.136 -3.431 -2.952 1.00 0.00 N ATOM 738 CA GLY A 51 -9.533 -3.340 -3.341 1.00 0.00 C ATOM 739 C GLY A 51 -10.436 -3.198 -2.114 1.00 0.00 C ATOM 740 O GLY A 51 -11.653 -3.079 -2.245 1.00 0.00 O ATOM 0 H GLY A 51 -7.593 -2.582 -3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.675 -2.485 -4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.816 -4.229 -3.904 1.00 0.00 H new ATOM 744 N LEU A 52 -9.804 -3.214 -0.949 1.00 0.00 N ATOM 745 CA LEU A 52 -10.535 -3.089 0.300 1.00 0.00 C ATOM 746 C LEU A 52 -10.704 -1.607 0.640 1.00 0.00 C ATOM 747 O LEU A 52 -10.085 -0.748 0.014 1.00 0.00 O ATOM 748 CB LEU A 52 -9.853 -3.899 1.404 1.00 0.00 C ATOM 749 CG LEU A 52 -8.908 -3.121 2.321 1.00 0.00 C ATOM 750 CD1 LEU A 52 -9.356 -3.219 3.781 1.00 0.00 C ATOM 751 CD2 LEU A 52 -7.460 -3.579 2.133 1.00 0.00 C ATOM 0 H LEU A 52 -8.794 -3.312 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.535 -3.510 0.200 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.626 -4.360 2.019 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.291 -4.709 0.939 1.00 0.00 H new ATOM 0 HG LEU A 52 -8.951 -2.068 2.041 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.667 -2.657 4.412 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.360 -2.806 3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.361 -4.264 4.091 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.809 -3.010 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.380 -4.640 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.157 -3.414 1.099 1.00 0.00 H new ATOM 763 N PRO A 53 -11.568 -1.345 1.658 1.00 0.00 N ATOM 764 CA PRO A 53 -11.825 0.018 2.089 1.00 0.00 C ATOM 765 C PRO A 53 -10.650 0.569 2.899 1.00 0.00 C ATOM 766 O PRO A 53 -9.953 -0.183 3.578 1.00 0.00 O ATOM 767 CB PRO A 53 -13.114 -0.060 2.891 1.00 0.00 C ATOM 768 CG PRO A 53 -13.281 -1.523 3.271 1.00 0.00 C ATOM 769 CD PRO A 53 -12.318 -2.337 2.423 1.00 0.00 C ATOM 0 HA PRO A 53 -11.932 0.710 1.253 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.060 0.570 3.779 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -13.962 0.290 2.302 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.073 -1.668 4.331 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.308 -1.847 3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -11.657 -2.941 3.044 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -12.852 -3.023 1.766 1.00 0.00 H new ATOM 777 N PRO A 54 -10.461 1.912 2.798 1.00 0.00 N ATOM 778 CA PRO A 54 -9.382 2.572 3.512 1.00 0.00 C ATOM 779 C PRO A 54 -9.706 2.695 5.003 1.00 0.00 C ATOM 780 O PRO A 54 -8.816 2.599 5.846 1.00 0.00 O ATOM 781 CB PRO A 54 -9.222 3.919 2.826 1.00 0.00 C ATOM 782 CG PRO A 54 -10.514 4.153 2.060 1.00 0.00 C ATOM 783 CD PRO A 54 -11.267 2.834 2.003 1.00 0.00 C ATOM 0 HA PRO A 54 -8.449 2.009 3.478 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.052 4.711 3.555 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.364 3.915 2.153 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.117 4.916 2.552 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.301 4.515 1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.273 2.934 2.412 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.373 2.483 0.977 1.00 0.00 H new ATOM 791 N ALA A 55 -10.984 2.907 5.282 1.00 0.00 N ATOM 792 CA ALA A 55 -11.437 3.044 6.656 1.00 0.00 C ATOM 793 C ALA A 55 -10.989 1.823 7.461 1.00 0.00 C ATOM 794 O ALA A 55 -10.614 1.946 8.626 1.00 0.00 O ATOM 795 CB ALA A 55 -12.955 3.231 6.677 1.00 0.00 C ATOM 0 H ALA A 55 -11.720 2.987 4.580 1.00 0.00 H new ATOM 0 HA ALA A 55 -10.993 3.925 7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.295 3.334 7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.219 4.128 6.117 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.435 2.365 6.222 1.00 0.00 H new ATOM 801 N MET A 56 -11.043 0.671 6.807 1.00 0.00 N ATOM 802 CA MET A 56 -10.647 -0.571 7.448 1.00 0.00 C ATOM 803 C MET A 56 -9.126 -0.734 7.436 1.00 0.00 C ATOM 804 O MET A 56 -8.542 -1.218 8.404 1.00 0.00 O ATOM 805 CB MET A 56 -11.293 -1.751 6.717 1.00 0.00 C ATOM 806 CG MET A 56 -12.387 -2.393 7.572 1.00 0.00 C ATOM 807 SD MET A 56 -13.633 -3.121 6.523 1.00 0.00 S ATOM 808 CE MET A 56 -14.947 -1.931 6.729 1.00 0.00 C ATOM 0 H MET A 56 -11.355 0.572 5.841 1.00 0.00 H new ATOM 0 HA MET A 56 -10.982 -0.546 8.485 1.00 0.00 H new ATOM 0 HB2 MET A 56 -11.718 -1.410 5.773 1.00 0.00 H new ATOM 0 HB3 MET A 56 -10.533 -2.494 6.475 1.00 0.00 H new ATOM 0 HG2 MET A 56 -11.954 -3.156 8.219 1.00 0.00 H new ATOM 0 HG3 MET A 56 -12.839 -1.643 8.221 1.00 0.00 H new ATOM 0 HE1 MET A 56 -15.810 -2.235 6.136 1.00 0.00 H new ATOM 0 HE2 MET A 56 -15.229 -1.879 7.781 1.00 0.00 H new ATOM 0 HE3 MET A 56 -14.606 -0.951 6.396 1.00 0.00 H new ATOM 818 N GLN A 57 -8.527 -0.321 6.328 1.00 0.00 N ATOM 819 CA GLN A 57 -7.085 -0.415 6.177 1.00 0.00 C ATOM 820 C GLN A 57 -6.385 0.108 7.433 1.00 0.00 C ATOM 821 O GLN A 57 -6.855 1.055 8.061 1.00 0.00 O ATOM 822 CB GLN A 57 -6.614 0.338 4.932 1.00 0.00 C ATOM 823 CG GLN A 57 -6.888 -0.473 3.664 1.00 0.00 C ATOM 824 CD GLN A 57 -6.755 0.401 2.415 1.00 0.00 C ATOM 825 OE1 GLN A 57 -6.377 1.559 2.473 1.00 0.00 O ATOM 826 NE2 GLN A 57 -7.087 -0.217 1.285 1.00 0.00 N ATOM 0 H GLN A 57 -9.014 0.079 5.527 1.00 0.00 H new ATOM 0 HA GLN A 57 -6.820 -1.464 6.048 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.123 1.300 4.870 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.547 0.547 5.011 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.190 -1.308 3.604 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.891 -0.898 3.710 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.396 -1.189 1.307 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -7.033 0.281 0.396 1.00 0.00 H new ATOM 835 N LYS A 58 -5.271 -0.531 7.761 1.00 0.00 N ATOM 836 CA LYS A 58 -4.502 -0.141 8.930 1.00 0.00 C ATOM 837 C LYS A 58 -3.050 0.110 8.518 1.00 0.00 C ATOM 838 O LYS A 58 -2.235 -0.811 8.510 1.00 0.00 O ATOM 839 CB LYS A 58 -4.654 -1.180 10.042 1.00 0.00 C ATOM 840 CG LYS A 58 -4.122 -0.642 11.372 1.00 0.00 C ATOM 841 CD LYS A 58 -3.982 -1.765 12.402 1.00 0.00 C ATOM 842 CE LYS A 58 -4.086 -1.219 13.827 1.00 0.00 C ATOM 843 NZ LYS A 58 -5.140 -1.932 14.581 1.00 0.00 N ATOM 0 H LYS A 58 -4.883 -1.316 7.237 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.883 0.793 9.343 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.704 -1.452 10.150 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.116 -2.088 9.772 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.154 -0.166 11.215 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.796 0.125 11.754 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.758 -2.513 12.238 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -3.023 -2.267 12.270 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.129 -1.330 14.336 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.310 -0.153 13.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.196 -1.548 15.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.055 -1.804 14.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.911 -2.945 14.624 1.00 0.00 H new ATOM 857 N VAL A 59 -2.770 1.362 8.188 1.00 0.00 N ATOM 858 CA VAL A 59 -1.431 1.747 7.776 1.00 0.00 C ATOM 859 C VAL A 59 -0.540 1.880 9.013 1.00 0.00 C ATOM 860 O VAL A 59 -0.707 2.805 9.806 1.00 0.00 O ATOM 861 CB VAL A 59 -1.487 3.027 6.940 1.00 0.00 C ATOM 862 CG1 VAL A 59 -0.125 3.333 6.313 1.00 0.00 C ATOM 863 CG2 VAL A 59 -2.576 2.934 5.869 1.00 0.00 C ATOM 0 H VAL A 59 -3.448 2.124 8.198 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.992 0.979 7.140 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.741 3.852 7.606 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.193 4.248 5.724 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.617 3.463 7.101 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.172 2.507 5.667 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -2.595 3.856 5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.365 2.093 5.208 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -3.544 2.786 6.347 1.00 0.00 H new ATOM 873 N MET A 60 0.386 0.941 9.140 1.00 0.00 N ATOM 874 CA MET A 60 1.303 0.942 10.267 1.00 0.00 C ATOM 875 C MET A 60 2.645 0.315 9.883 1.00 0.00 C ATOM 876 O MET A 60 2.700 -0.848 9.485 1.00 0.00 O ATOM 877 CB MET A 60 0.687 0.157 11.427 1.00 0.00 C ATOM 878 CG MET A 60 0.122 1.102 12.490 1.00 0.00 C ATOM 879 SD MET A 60 -0.039 0.243 14.046 1.00 0.00 S ATOM 880 CE MET A 60 1.683 -0.012 14.440 1.00 0.00 C ATOM 0 H MET A 60 0.521 0.174 8.481 1.00 0.00 H new ATOM 0 HA MET A 60 1.478 1.975 10.567 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.106 -0.490 11.052 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.442 -0.490 11.874 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.778 1.965 12.607 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.849 1.481 12.172 1.00 0.00 H new ATOM 0 HE1 MET A 60 1.875 0.318 15.461 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.924 -1.071 14.350 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.303 0.561 13.750 1.00 0.00 H new ATOM 890 N TYR A 61 3.694 1.114 10.014 1.00 0.00 N ATOM 891 CA TYR A 61 5.032 0.653 9.685 1.00 0.00 C ATOM 892 C TYR A 61 5.997 0.896 10.848 1.00 0.00 C ATOM 893 O TYR A 61 6.485 2.011 11.030 1.00 0.00 O ATOM 894 CB TYR A 61 5.481 1.484 8.482 1.00 0.00 C ATOM 895 CG TYR A 61 6.970 1.353 8.156 1.00 0.00 C ATOM 896 CD1 TYR A 61 7.646 0.193 8.474 1.00 0.00 C ATOM 897 CD2 TYR A 61 7.637 2.395 7.544 1.00 0.00 C ATOM 898 CE1 TYR A 61 9.048 0.070 8.168 1.00 0.00 C ATOM 899 CE2 TYR A 61 9.038 2.271 7.237 1.00 0.00 C ATOM 900 CZ TYR A 61 9.675 1.115 7.564 1.00 0.00 C ATOM 901 OH TYR A 61 10.998 0.999 7.274 1.00 0.00 O ATOM 0 H TYR A 61 3.644 2.078 10.344 1.00 0.00 H new ATOM 0 HA TYR A 61 5.029 -0.417 9.475 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.901 1.184 7.609 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.252 2.533 8.672 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.124 -0.623 8.952 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.108 3.303 7.296 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.589 -0.832 8.413 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.571 3.078 6.757 1.00 0.00 H new ATOM 0 HH TYR A 61 11.312 1.822 6.843 1.00 0.00 H new ATOM 911 N LYS A 62 6.243 -0.164 11.603 1.00 0.00 N ATOM 912 CA LYS A 62 7.141 -0.079 12.742 1.00 0.00 C ATOM 913 C LYS A 62 6.794 1.162 13.568 1.00 0.00 C ATOM 914 O LYS A 62 7.647 1.703 14.269 1.00 0.00 O ATOM 915 CB LYS A 62 8.598 -0.123 12.280 1.00 0.00 C ATOM 916 CG LYS A 62 9.128 -1.558 12.272 1.00 0.00 C ATOM 917 CD LYS A 62 10.192 -1.744 11.188 1.00 0.00 C ATOM 918 CE LYS A 62 11.593 -1.476 11.742 1.00 0.00 C ATOM 919 NZ LYS A 62 12.461 -0.893 10.696 1.00 0.00 N ATOM 0 H LYS A 62 5.836 -1.086 11.448 1.00 0.00 H new ATOM 0 HA LYS A 62 7.012 -0.943 13.394 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.679 0.304 11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.211 0.491 12.940 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.551 -1.798 13.247 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.305 -2.252 12.102 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.141 -2.759 10.794 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.991 -1.069 10.356 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.531 -0.796 12.592 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.029 -2.405 12.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 13.408 -0.717 11.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.535 -1.555 9.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.052 0.004 10.365 1.00 0.00 H new ATOM 933 N GLY A 63 5.541 1.576 13.457 1.00 0.00 N ATOM 934 CA GLY A 63 5.071 2.743 14.184 1.00 0.00 C ATOM 935 C GLY A 63 3.927 3.431 13.437 1.00 0.00 C ATOM 936 O GLY A 63 3.877 3.402 12.208 1.00 0.00 O ATOM 0 H GLY A 63 4.836 1.124 12.874 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.735 2.446 15.177 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.893 3.445 14.323 1.00 0.00 H new ATOM 940 N LEU A 64 3.036 4.034 14.210 1.00 0.00 N ATOM 941 CA LEU A 64 1.895 4.728 13.637 1.00 0.00 C ATOM 942 C LEU A 64 2.389 5.744 12.605 1.00 0.00 C ATOM 943 O LEU A 64 3.414 6.393 12.808 1.00 0.00 O ATOM 944 CB LEU A 64 1.032 5.342 14.740 1.00 0.00 C ATOM 945 CG LEU A 64 0.093 4.380 15.471 1.00 0.00 C ATOM 946 CD1 LEU A 64 -1.236 4.239 14.727 1.00 0.00 C ATOM 947 CD2 LEU A 64 0.768 3.026 15.702 1.00 0.00 C ATOM 0 H LEU A 64 3.081 4.056 15.229 1.00 0.00 H new ATOM 0 HA LEU A 64 1.247 4.027 13.111 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.691 5.804 15.475 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.433 6.141 14.303 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.131 4.800 16.452 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.884 3.550 15.268 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.719 5.213 14.658 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.052 3.853 13.724 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.080 2.361 16.223 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.041 2.587 14.742 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.665 3.165 16.305 1.00 0.00 H new ATOM 959 N VAL A 65 1.636 5.851 11.520 1.00 0.00 N ATOM 960 CA VAL A 65 1.984 6.777 10.456 1.00 0.00 C ATOM 961 C VAL A 65 1.058 7.994 10.521 1.00 0.00 C ATOM 962 O VAL A 65 -0.159 7.848 10.616 1.00 0.00 O ATOM 963 CB VAL A 65 1.936 6.062 9.104 1.00 0.00 C ATOM 964 CG1 VAL A 65 1.918 7.069 7.951 1.00 0.00 C ATOM 965 CG2 VAL A 65 3.104 5.084 8.959 1.00 0.00 C ATOM 0 H VAL A 65 0.786 5.312 11.355 1.00 0.00 H new ATOM 0 HA VAL A 65 3.005 7.138 10.583 1.00 0.00 H new ATOM 0 HB VAL A 65 1.011 5.488 9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.884 6.535 7.002 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.039 7.708 8.040 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.818 7.683 7.990 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.046 4.589 7.989 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.046 5.628 9.033 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.053 4.337 9.751 1.00 0.00 H new ATOM 975 N PRO A 66 1.688 9.198 10.467 1.00 0.00 N ATOM 976 CA PRO A 66 0.934 10.439 10.520 1.00 0.00 C ATOM 977 C PRO A 66 0.229 10.709 9.189 1.00 0.00 C ATOM 978 O PRO A 66 0.857 10.681 8.132 1.00 0.00 O ATOM 979 CB PRO A 66 1.957 11.506 10.877 1.00 0.00 C ATOM 980 CG PRO A 66 3.316 10.904 10.556 1.00 0.00 C ATOM 981 CD PRO A 66 3.128 9.409 10.355 1.00 0.00 C ATOM 0 HA PRO A 66 0.132 10.413 11.257 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.788 12.417 10.303 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.888 11.776 11.931 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.733 11.360 9.658 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.019 11.095 11.367 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.500 9.091 9.381 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.672 8.837 11.107 1.00 0.00 H new ATOM 989 N GLU A 67 -1.067 10.966 9.285 1.00 0.00 N ATOM 990 CA GLU A 67 -1.865 11.241 8.102 1.00 0.00 C ATOM 991 C GLU A 67 -1.705 12.703 7.682 1.00 0.00 C ATOM 992 O GLU A 67 -2.035 13.069 6.555 1.00 0.00 O ATOM 993 CB GLU A 67 -3.337 10.897 8.341 1.00 0.00 C ATOM 994 CG GLU A 67 -3.480 9.509 8.968 1.00 0.00 C ATOM 995 CD GLU A 67 -4.888 9.305 9.533 1.00 0.00 C ATOM 996 OE1 GLU A 67 -5.284 10.135 10.380 1.00 0.00 O ATOM 997 OE2 GLU A 67 -5.535 8.325 9.106 1.00 0.00 O ATOM 0 H GLU A 67 -1.585 10.990 10.164 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.505 10.609 7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.787 11.644 8.995 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.880 10.931 7.397 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.270 8.745 8.220 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.744 9.387 9.763 1.00 0.00 H new ATOM 1004 N ASP A 68 -1.199 13.500 8.611 1.00 0.00 N ATOM 1005 CA ASP A 68 -0.991 14.915 8.352 1.00 0.00 C ATOM 1006 C ASP A 68 0.353 15.107 7.646 1.00 0.00 C ATOM 1007 O ASP A 68 0.702 16.222 7.261 1.00 0.00 O ATOM 1008 CB ASP A 68 -0.959 15.715 9.655 1.00 0.00 C ATOM 1009 CG ASP A 68 -2.323 16.208 10.145 1.00 0.00 C ATOM 1010 OD1 ASP A 68 -2.738 17.289 9.675 1.00 0.00 O ATOM 1011 OD2 ASP A 68 -2.919 15.491 10.978 1.00 0.00 O ATOM 0 H ASP A 68 -0.927 13.193 9.545 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.815 15.269 7.732 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.512 15.096 10.433 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.305 16.577 9.519 1.00 0.00 H new ATOM 1016 N LYS A 69 1.071 14.004 7.498 1.00 0.00 N ATOM 1017 CA LYS A 69 2.369 14.037 6.845 1.00 0.00 C ATOM 1018 C LYS A 69 2.408 12.977 5.743 1.00 0.00 C ATOM 1019 O LYS A 69 1.635 12.020 5.769 1.00 0.00 O ATOM 1020 CB LYS A 69 3.490 13.895 7.876 1.00 0.00 C ATOM 1021 CG LYS A 69 3.389 14.979 8.950 1.00 0.00 C ATOM 1022 CD LYS A 69 4.748 15.638 9.195 1.00 0.00 C ATOM 1023 CE LYS A 69 5.357 15.164 10.516 1.00 0.00 C ATOM 1024 NZ LYS A 69 5.868 16.315 11.294 1.00 0.00 N ATOM 0 H LYS A 69 0.779 13.081 7.819 1.00 0.00 H new ATOM 0 HA LYS A 69 2.530 15.002 6.364 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.438 12.911 8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.457 13.961 7.378 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.665 15.734 8.643 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.020 14.543 9.878 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.424 15.402 8.373 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.633 16.722 9.212 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.607 14.629 11.098 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.167 14.462 10.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.278 15.976 12.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.599 16.809 10.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.087 16.970 11.498 1.00 0.00 H new ATOM 1038 N THR A 70 3.317 13.182 4.801 1.00 0.00 N ATOM 1039 CA THR A 70 3.467 12.255 3.692 1.00 0.00 C ATOM 1040 C THR A 70 4.587 11.254 3.981 1.00 0.00 C ATOM 1041 O THR A 70 5.409 11.476 4.869 1.00 0.00 O ATOM 1042 CB THR A 70 3.697 13.074 2.420 1.00 0.00 C ATOM 1043 OG1 THR A 70 4.922 13.760 2.666 1.00 0.00 O ATOM 1044 CG2 THR A 70 2.669 14.194 2.251 1.00 0.00 C ATOM 0 H THR A 70 3.957 13.976 4.783 1.00 0.00 H new ATOM 0 HA THR A 70 2.567 11.656 3.552 1.00 0.00 H new ATOM 0 HB THR A 70 3.661 12.415 1.552 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.148 14.314 1.890 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.878 14.744 1.333 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.669 13.765 2.197 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.727 14.873 3.102 1.00 0.00 H new ATOM 1052 N LEU A 71 4.584 10.173 3.215 1.00 0.00 N ATOM 1053 CA LEU A 71 5.589 9.137 3.378 1.00 0.00 C ATOM 1054 C LEU A 71 6.962 9.789 3.556 1.00 0.00 C ATOM 1055 O LEU A 71 7.606 9.615 4.589 1.00 0.00 O ATOM 1056 CB LEU A 71 5.527 8.142 2.217 1.00 0.00 C ATOM 1057 CG LEU A 71 4.140 7.590 1.881 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.791 7.840 0.413 1.00 0.00 C ATOM 1059 CD2 LEU A 71 4.036 6.109 2.251 1.00 0.00 C ATOM 0 H LEU A 71 3.901 9.992 2.479 1.00 0.00 H new ATOM 0 HA LEU A 71 5.393 8.554 4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.929 8.627 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.184 7.303 2.448 1.00 0.00 H new ATOM 0 HG LEU A 71 3.404 8.125 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.800 7.438 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.798 8.912 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.526 7.349 -0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.041 5.741 2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.782 5.542 1.695 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.211 5.988 3.320 1.00 0.00 H new ATOM 1071 N ARG A 72 7.370 10.525 2.532 1.00 0.00 N ATOM 1072 CA ARG A 72 8.654 11.203 2.562 1.00 0.00 C ATOM 1073 C ARG A 72 8.838 11.933 3.895 1.00 0.00 C ATOM 1074 O ARG A 72 9.963 12.113 4.358 1.00 0.00 O ATOM 1075 CB ARG A 72 8.773 12.210 1.417 1.00 0.00 C ATOM 1076 CG ARG A 72 10.193 12.772 1.326 1.00 0.00 C ATOM 1077 CD ARG A 72 10.173 14.299 1.227 1.00 0.00 C ATOM 1078 NE ARG A 72 11.095 14.883 2.227 1.00 0.00 N ATOM 1079 CZ ARG A 72 12.427 14.738 2.194 1.00 0.00 C ATOM 1080 NH1 ARG A 72 13.000 14.028 1.213 1.00 0.00 N ATOM 1081 NH2 ARG A 72 13.186 15.303 3.143 1.00 0.00 N ATOM 0 H ARG A 72 6.833 10.666 1.676 1.00 0.00 H new ATOM 0 HA ARG A 72 9.430 10.447 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.508 11.729 0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.065 13.024 1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.765 12.468 2.203 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.698 12.354 0.455 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.466 14.611 0.224 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.161 14.669 1.393 1.00 0.00 H new ATOM 0 HE ARG A 72 10.692 15.429 2.988 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.423 13.598 0.491 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.014 13.918 1.188 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.750 15.843 3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.200 15.193 3.118 1.00 0.00 H new ATOM 1095 N GLU A 73 7.715 12.333 4.473 1.00 0.00 N ATOM 1096 CA GLU A 73 7.738 13.039 5.743 1.00 0.00 C ATOM 1097 C GLU A 73 7.745 12.043 6.904 1.00 0.00 C ATOM 1098 O GLU A 73 8.454 12.239 7.891 1.00 0.00 O ATOM 1099 CB GLU A 73 6.556 14.003 5.855 1.00 0.00 C ATOM 1100 CG GLU A 73 6.587 15.043 4.734 1.00 0.00 C ATOM 1101 CD GLU A 73 7.163 16.370 5.232 1.00 0.00 C ATOM 1102 OE1 GLU A 73 8.225 16.317 5.889 1.00 0.00 O ATOM 1103 OE2 GLU A 73 6.529 17.408 4.945 1.00 0.00 O ATOM 0 H GLU A 73 6.784 12.182 4.086 1.00 0.00 H new ATOM 0 HA GLU A 73 8.653 13.630 5.792 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.621 13.444 5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.582 14.505 6.822 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.188 14.670 3.904 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.578 15.201 4.352 1.00 0.00 H new ATOM 1110 N ILE A 74 6.950 10.995 6.748 1.00 0.00 N ATOM 1111 CA ILE A 74 6.856 9.968 7.772 1.00 0.00 C ATOM 1112 C ILE A 74 8.151 9.154 7.792 1.00 0.00 C ATOM 1113 O ILE A 74 8.344 8.308 8.664 1.00 0.00 O ATOM 1114 CB ILE A 74 5.599 9.119 7.566 1.00 0.00 C ATOM 1115 CG1 ILE A 74 5.900 7.896 6.698 1.00 0.00 C ATOM 1116 CG2 ILE A 74 4.457 9.961 6.993 1.00 0.00 C ATOM 1117 CD1 ILE A 74 6.183 6.666 7.564 1.00 0.00 C ATOM 0 H ILE A 74 6.365 10.835 5.928 1.00 0.00 H new ATOM 0 HA ILE A 74 6.749 10.421 8.757 1.00 0.00 H new ATOM 0 HB ILE A 74 5.272 8.751 8.539 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.054 7.695 6.040 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.759 8.101 6.059 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.576 9.334 6.856 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.222 10.772 7.682 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.759 10.377 6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.394 5.810 6.923 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.044 6.861 8.203 1.00 0.00 H new ATOM 0 HD13 ILE A 74 5.313 6.449 8.184 1.00 0.00 H new ATOM 1129 N LYS A 75 9.006 9.438 6.820 1.00 0.00 N ATOM 1130 CA LYS A 75 10.277 8.742 6.714 1.00 0.00 C ATOM 1131 C LYS A 75 10.068 7.413 5.987 1.00 0.00 C ATOM 1132 O LYS A 75 9.977 6.362 6.620 1.00 0.00 O ATOM 1133 CB LYS A 75 10.922 8.594 8.094 1.00 0.00 C ATOM 1134 CG LYS A 75 10.756 9.872 8.918 1.00 0.00 C ATOM 1135 CD LYS A 75 11.854 9.989 9.976 1.00 0.00 C ATOM 1136 CE LYS A 75 12.924 10.996 9.548 1.00 0.00 C ATOM 1137 NZ LYS A 75 13.920 10.349 8.665 1.00 0.00 N ATOM 0 H LYS A 75 8.843 10.141 6.099 1.00 0.00 H new ATOM 0 HA LYS A 75 10.981 9.323 6.118 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.469 7.755 8.623 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.982 8.365 7.981 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.787 10.740 8.259 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.779 9.873 9.401 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.417 10.299 10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.312 9.014 10.139 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.457 11.833 9.028 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.420 11.405 10.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.639 11.046 8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.377 9.565 9.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.444 9.980 7.817 1.00 0.00 H new ATOM 1151 N VAL A 76 9.997 7.502 4.667 1.00 0.00 N ATOM 1152 CA VAL A 76 9.800 6.319 3.847 1.00 0.00 C ATOM 1153 C VAL A 76 10.866 6.280 2.750 1.00 0.00 C ATOM 1154 O VAL A 76 11.316 7.324 2.280 1.00 0.00 O ATOM 1155 CB VAL A 76 8.373 6.296 3.295 1.00 0.00 C ATOM 1156 CG1 VAL A 76 8.232 5.256 2.181 1.00 0.00 C ATOM 1157 CG2 VAL A 76 7.357 6.046 4.411 1.00 0.00 C ATOM 0 H VAL A 76 10.072 8.375 4.145 1.00 0.00 H new ATOM 0 HA VAL A 76 9.917 5.416 4.446 1.00 0.00 H new ATOM 0 HB VAL A 76 8.164 7.276 2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.208 5.260 1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.917 5.498 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.470 4.268 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.351 6.035 3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.564 5.086 4.883 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.431 6.839 5.155 1.00 0.00 H new ATOM 1167 N THR A 77 11.240 5.066 2.375 1.00 0.00 N ATOM 1168 CA THR A 77 12.245 4.878 1.342 1.00 0.00 C ATOM 1169 C THR A 77 11.840 3.738 0.406 1.00 0.00 C ATOM 1170 O THR A 77 10.746 3.189 0.526 1.00 0.00 O ATOM 1171 CB THR A 77 13.592 4.651 2.030 1.00 0.00 C ATOM 1172 OG1 THR A 77 13.331 3.614 2.972 1.00 0.00 O ATOM 1173 CG2 THR A 77 14.018 5.840 2.893 1.00 0.00 C ATOM 0 H THR A 77 10.865 4.202 2.768 1.00 0.00 H new ATOM 0 HA THR A 77 12.332 5.761 0.708 1.00 0.00 H new ATOM 0 HB THR A 77 14.355 4.458 1.276 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.153 3.403 3.462 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.980 5.626 3.358 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.106 6.729 2.269 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.271 6.013 3.668 1.00 0.00 H new ATOM 1181 N SER A 78 12.745 3.415 -0.507 1.00 0.00 N ATOM 1182 CA SER A 78 12.497 2.350 -1.463 1.00 0.00 C ATOM 1183 C SER A 78 12.661 0.988 -0.785 1.00 0.00 C ATOM 1184 O SER A 78 13.780 0.559 -0.510 1.00 0.00 O ATOM 1185 CB SER A 78 13.435 2.460 -2.666 1.00 0.00 C ATOM 1186 OG SER A 78 12.891 3.282 -3.695 1.00 0.00 O ATOM 0 H SER A 78 13.651 3.873 -0.604 1.00 0.00 H new ATOM 0 HA SER A 78 11.473 2.448 -1.824 1.00 0.00 H new ATOM 0 HB2 SER A 78 14.392 2.870 -2.343 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.632 1.465 -3.064 1.00 0.00 H new ATOM 0 HG SER A 78 13.521 3.328 -4.444 1.00 0.00 H new ATOM 1192 N GLY A 79 11.528 0.347 -0.535 1.00 0.00 N ATOM 1193 CA GLY A 79 11.532 -0.957 0.107 1.00 0.00 C ATOM 1194 C GLY A 79 10.840 -0.899 1.470 1.00 0.00 C ATOM 1195 O GLY A 79 10.978 -1.816 2.279 1.00 0.00 O ATOM 0 H GLY A 79 10.602 0.706 -0.765 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.026 -1.682 -0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.558 -1.302 0.231 1.00 0.00 H new ATOM 1199 N ALA A 80 10.111 0.186 1.683 1.00 0.00 N ATOM 1200 CA ALA A 80 9.398 0.375 2.934 1.00 0.00 C ATOM 1201 C ALA A 80 8.229 -0.610 3.004 1.00 0.00 C ATOM 1202 O ALA A 80 7.367 -0.619 2.126 1.00 0.00 O ATOM 1203 CB ALA A 80 8.940 1.831 3.047 1.00 0.00 C ATOM 0 H ALA A 80 9.999 0.944 1.010 1.00 0.00 H new ATOM 0 HA ALA A 80 10.052 0.172 3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.405 1.972 3.986 1.00 0.00 H new ATOM 0 HB2 ALA A 80 9.809 2.489 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.280 2.070 2.214 1.00 0.00 H new ATOM 1209 N LYS A 81 8.238 -1.416 4.055 1.00 0.00 N ATOM 1210 CA LYS A 81 7.190 -2.403 4.250 1.00 0.00 C ATOM 1211 C LYS A 81 5.902 -1.695 4.678 1.00 0.00 C ATOM 1212 O LYS A 81 5.946 -0.709 5.411 1.00 0.00 O ATOM 1213 CB LYS A 81 7.649 -3.487 5.228 1.00 0.00 C ATOM 1214 CG LYS A 81 6.826 -4.765 5.055 1.00 0.00 C ATOM 1215 CD LYS A 81 7.444 -5.676 3.992 1.00 0.00 C ATOM 1216 CE LYS A 81 8.209 -6.833 4.639 1.00 0.00 C ATOM 1217 NZ LYS A 81 9.496 -7.056 3.944 1.00 0.00 N ATOM 0 H LYS A 81 8.955 -1.406 4.781 1.00 0.00 H new ATOM 0 HA LYS A 81 6.975 -2.920 3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.705 -3.705 5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 81 7.552 -3.124 6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.768 -5.296 6.005 1.00 0.00 H new ATOM 0 HG3 LYS A 81 5.805 -4.509 4.771 1.00 0.00 H new ATOM 0 HD2 LYS A 81 6.660 -6.070 3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.118 -5.098 3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 81 8.390 -6.614 5.691 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.607 -7.741 4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.002 -7.844 4.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.316 -7.286 2.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.075 -6.194 4.001 1.00 0.00 H new ATOM 1231 N ILE A 82 4.786 -2.227 4.202 1.00 0.00 N ATOM 1232 CA ILE A 82 3.489 -1.659 4.526 1.00 0.00 C ATOM 1233 C ILE A 82 2.503 -2.789 4.830 1.00 0.00 C ATOM 1234 O ILE A 82 2.310 -3.686 4.012 1.00 0.00 O ATOM 1235 CB ILE A 82 3.022 -0.720 3.412 1.00 0.00 C ATOM 1236 CG1 ILE A 82 4.121 0.278 3.039 1.00 0.00 C ATOM 1237 CG2 ILE A 82 1.718 -0.019 3.796 1.00 0.00 C ATOM 1238 CD1 ILE A 82 4.220 1.397 4.078 1.00 0.00 C ATOM 0 H ILE A 82 4.753 -3.046 3.594 1.00 0.00 H new ATOM 0 HA ILE A 82 3.557 -1.044 5.423 1.00 0.00 H new ATOM 0 HB ILE A 82 2.816 -1.319 2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.077 -0.240 2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.912 0.705 2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.408 0.642 2.987 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.942 -0.764 3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.872 0.565 4.703 1.00 0.00 H new ATOM 0 HD11 ILE A 82 5.008 2.093 3.790 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.270 1.928 4.133 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.453 0.969 5.053 1.00 0.00 H new ATOM 1250 N MET A 83 1.907 -2.709 6.011 1.00 0.00 N ATOM 1251 CA MET A 83 0.946 -3.714 6.433 1.00 0.00 C ATOM 1252 C MET A 83 -0.487 -3.197 6.289 1.00 0.00 C ATOM 1253 O MET A 83 -0.751 -2.017 6.513 1.00 0.00 O ATOM 1254 CB MET A 83 1.209 -4.089 7.893 1.00 0.00 C ATOM 1255 CG MET A 83 2.464 -4.956 8.019 1.00 0.00 C ATOM 1256 SD MET A 83 3.793 -4.004 8.734 1.00 0.00 S ATOM 1257 CE MET A 83 5.181 -4.701 7.855 1.00 0.00 C ATOM 0 H MET A 83 2.071 -1.964 6.688 1.00 0.00 H new ATOM 0 HA MET A 83 1.061 -4.591 5.796 1.00 0.00 H new ATOM 0 HB2 MET A 83 1.326 -3.184 8.489 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.350 -4.626 8.295 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.254 -5.827 8.640 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.759 -5.328 7.038 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.854 -3.901 7.545 1.00 0.00 H new ATOM 0 HE2 MET A 83 5.715 -5.392 8.507 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.823 -5.236 6.975 1.00 0.00 H new ATOM 1267 N VAL A 84 -1.375 -4.107 5.915 1.00 0.00 N ATOM 1268 CA VAL A 84 -2.774 -3.759 5.738 1.00 0.00 C ATOM 1269 C VAL A 84 -3.643 -4.730 6.539 1.00 0.00 C ATOM 1270 O VAL A 84 -3.383 -5.933 6.555 1.00 0.00 O ATOM 1271 CB VAL A 84 -3.123 -3.734 4.248 1.00 0.00 C ATOM 1272 CG1 VAL A 84 -4.551 -3.232 4.028 1.00 0.00 C ATOM 1273 CG2 VAL A 84 -2.117 -2.889 3.464 1.00 0.00 C ATOM 0 H VAL A 84 -1.152 -5.085 5.730 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.969 -2.757 6.121 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.066 -4.756 3.873 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.774 -3.224 2.961 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.252 -3.892 4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.647 -2.222 4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.388 -2.888 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.127 -1.867 3.843 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.118 -3.310 3.582 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.657 -4.173 7.185 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.565 -4.976 7.987 1.00 0.00 C ATOM 1285 C VAL A 85 -7.008 -4.598 7.647 1.00 0.00 C ATOM 1286 O VAL A 85 -7.280 -3.465 7.253 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.237 -4.810 9.472 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -6.295 -5.489 10.346 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -3.839 -5.345 9.789 1.00 0.00 C ATOM 0 H VAL A 85 -4.870 -3.176 7.169 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.444 -6.035 7.758 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.247 -3.744 9.700 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.038 -5.356 11.397 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.270 -5.042 10.151 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.331 -6.553 10.113 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.632 -5.215 10.851 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.789 -6.404 9.537 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.099 -4.798 9.205 1.00 0.00 H new