USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 542 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 31 THR OG1 : rot 180:sc= -0.0524 USER MOD Single : A 37 THR OG1 : rot 21:sc= 0.106 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.23 K(o=-0.23,f=-2!) USER MOD Single : A 52 THR OG1 : rot -24:sc= 0.613 USER MOD Single : A 62 SER OG : rot -47:sc= 0.763 USER MOD Single : A 64 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.154) USER MOD Single : A 65 ASN : amide:sc=-0.00728 X(o=-0.0073,f=-0.07) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0125 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 74 TYR OH : rot 49:sc= -3.01! USER MOD Single : A 77 CYS SG : rot 31:sc= 0.296 USER MOD Single : A 78 ASN : amide:sc= -0.0396 K(o=-0.04,f=-0.83) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N GLU A 19 5.391 -10.032 -3.764 1.00 0.00 N ATOM 211 CA GLU A 19 6.448 -9.965 -2.762 1.00 0.00 C ATOM 212 C GLU A 19 6.130 -8.911 -1.707 1.00 0.00 C ATOM 213 O GLU A 19 5.820 -7.766 -2.033 1.00 0.00 O ATOM 214 CB GLU A 19 7.790 -9.652 -3.425 1.00 0.00 C ATOM 215 CG GLU A 19 8.512 -10.884 -3.947 1.00 0.00 C ATOM 216 CD GLU A 19 8.720 -10.848 -5.450 1.00 0.00 C ATOM 217 OE1 GLU A 19 7.852 -10.296 -6.156 1.00 0.00 O ATOM 218 OE2 GLU A 19 9.753 -11.371 -5.917 1.00 0.00 O ATOM 0 HA GLU A 19 6.512 -10.936 -2.272 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.625 -8.960 -4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.431 -9.143 -2.706 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.480 -10.970 -3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.940 -11.774 -3.685 1.00 0.00 H new ATOM 225 N VAL A 20 6.209 -9.308 -0.443 1.00 0.00 N ATOM 226 CA VAL A 20 5.930 -8.401 0.663 1.00 0.00 C ATOM 227 C VAL A 20 7.213 -8.027 1.405 1.00 0.00 C ATOM 228 O VAL A 20 7.695 -8.788 2.244 1.00 0.00 O ATOM 229 CB VAL A 20 4.939 -9.025 1.665 1.00 0.00 C ATOM 230 CG1 VAL A 20 4.506 -7.999 2.700 1.00 0.00 C ATOM 231 CG2 VAL A 20 3.735 -9.599 0.935 1.00 0.00 C ATOM 0 H VAL A 20 6.464 -10.254 -0.158 1.00 0.00 H new ATOM 0 HA VAL A 20 5.486 -7.504 0.231 1.00 0.00 H new ATOM 0 HB VAL A 20 5.442 -9.839 2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.807 -8.459 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.380 -7.641 3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.021 -7.160 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.046 -10.036 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.230 -8.805 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.065 -10.369 0.238 1.00 0.00 H new ATOM 241 N PRO A 21 7.786 -6.847 1.105 1.00 0.00 N ATOM 242 CA PRO A 21 9.018 -6.385 1.752 1.00 0.00 C ATOM 243 C PRO A 21 8.902 -6.375 3.273 1.00 0.00 C ATOM 244 O PRO A 21 7.876 -6.766 3.828 1.00 0.00 O ATOM 245 CB PRO A 21 9.192 -4.959 1.221 1.00 0.00 C ATOM 246 CG PRO A 21 8.442 -4.937 -0.066 1.00 0.00 C ATOM 247 CD PRO A 21 7.282 -5.874 0.117 1.00 0.00 C ATOM 0 HA PRO A 21 9.862 -7.039 1.532 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.795 -4.225 1.922 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.244 -4.719 1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.097 -3.930 -0.300 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.076 -5.257 -0.893 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.397 -5.352 0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.004 -6.358 -0.819 1.00 0.00 H new ATOM 255 N GLU A 22 9.958 -5.924 3.940 1.00 0.00 N ATOM 256 CA GLU A 22 9.972 -5.863 5.396 1.00 0.00 C ATOM 257 C GLU A 22 9.751 -4.434 5.890 1.00 0.00 C ATOM 258 O GLU A 22 10.069 -4.109 7.034 1.00 0.00 O ATOM 259 CB GLU A 22 11.299 -6.402 5.935 1.00 0.00 C ATOM 260 CG GLU A 22 11.148 -7.236 7.198 1.00 0.00 C ATOM 261 CD GLU A 22 11.730 -8.628 7.052 1.00 0.00 C ATOM 262 OE1 GLU A 22 10.999 -9.532 6.594 1.00 0.00 O ATOM 263 OE2 GLU A 22 12.916 -8.816 7.395 1.00 0.00 O ATOM 0 H GLU A 22 10.815 -5.595 3.496 1.00 0.00 H new ATOM 0 HA GLU A 22 9.156 -6.483 5.767 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.776 -7.008 5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.966 -5.564 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.640 -6.726 8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.091 -7.313 7.453 1.00 0.00 H new ATOM 270 N TRP A 23 9.206 -3.586 5.023 1.00 0.00 N ATOM 271 CA TRP A 23 8.946 -2.195 5.376 1.00 0.00 C ATOM 272 C TRP A 23 7.470 -1.850 5.200 1.00 0.00 C ATOM 273 O TRP A 23 6.902 -1.093 5.986 1.00 0.00 O ATOM 274 CB TRP A 23 9.805 -1.260 4.523 1.00 0.00 C ATOM 275 CG TRP A 23 9.707 -1.536 3.053 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.589 -2.251 2.294 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.672 -1.101 2.165 1.00 0.00 C ATOM 278 NE1 TRP A 23 10.163 -2.287 0.988 1.00 0.00 N ATOM 279 CE2 TRP A 23 8.989 -1.589 0.884 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.506 -0.347 2.329 1.00 0.00 C ATOM 281 CZ2 TRP A 23 8.183 -1.347 -0.227 1.00 0.00 C ATOM 282 CZ3 TRP A 23 6.707 -0.108 1.227 1.00 0.00 C ATOM 283 CH2 TRP A 23 7.049 -0.606 -0.036 1.00 0.00 C ATOM 0 H TRP A 23 8.936 -3.838 4.072 1.00 0.00 H new ATOM 0 HA TRP A 23 9.207 -2.061 6.426 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.505 -0.229 4.712 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.846 -1.351 4.833 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.489 -2.719 2.665 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.643 -2.757 0.221 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.235 0.042 3.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.444 -1.730 -1.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.804 0.473 1.342 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.404 -0.401 -0.877 1.00 0.00 H new ATOM 294 N LEU A 24 6.852 -2.410 4.164 1.00 0.00 N ATOM 295 CA LEU A 24 5.442 -2.159 3.888 1.00 0.00 C ATOM 296 C LEU A 24 4.571 -2.607 5.057 1.00 0.00 C ATOM 297 O LEU A 24 4.187 -3.773 5.148 1.00 0.00 O ATOM 298 CB LEU A 24 5.011 -2.881 2.611 1.00 0.00 C ATOM 299 CG LEU A 24 3.578 -2.595 2.159 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.404 -1.117 1.845 1.00 0.00 C ATOM 301 CD2 LEU A 24 3.222 -3.445 0.949 1.00 0.00 C ATOM 0 H LEU A 24 7.306 -3.040 3.502 1.00 0.00 H new ATOM 0 HA LEU A 24 5.312 -1.086 3.750 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.692 -2.603 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.120 -3.955 2.764 1.00 0.00 H new ATOM 0 HG LEU A 24 2.901 -2.855 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.379 -0.931 1.525 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.618 -0.528 2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.090 -0.831 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.199 -3.229 0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.904 -3.216 0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.308 -4.500 1.208 1.00 0.00 H new ATOM 313 N ARG A 25 4.262 -1.672 5.949 1.00 0.00 N ATOM 314 CA ARG A 25 3.434 -1.970 7.113 1.00 0.00 C ATOM 315 C ARG A 25 2.536 -0.786 7.458 1.00 0.00 C ATOM 316 O ARG A 25 2.687 0.302 6.903 1.00 0.00 O ATOM 317 CB ARG A 25 4.314 -2.324 8.313 1.00 0.00 C ATOM 318 CG ARG A 25 5.348 -1.260 8.644 1.00 0.00 C ATOM 319 CD ARG A 25 5.673 -1.243 10.129 1.00 0.00 C ATOM 320 NE ARG A 25 6.951 -0.589 10.401 1.00 0.00 N ATOM 321 CZ ARG A 25 8.135 -1.143 10.149 1.00 0.00 C ATOM 322 NH1 ARG A 25 8.208 -2.358 9.620 1.00 0.00 N ATOM 323 NH2 ARG A 25 9.249 -0.480 10.426 1.00 0.00 N ATOM 0 H ARG A 25 4.572 -0.702 5.889 1.00 0.00 H new ATOM 0 HA ARG A 25 2.802 -2.824 6.870 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.679 -2.485 9.184 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.825 -3.266 8.113 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.258 -1.445 8.073 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.975 -0.282 8.341 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.879 -0.726 10.668 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.701 -2.265 10.506 1.00 0.00 H new ATOM 0 HE ARG A 25 6.935 0.346 10.808 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.354 -2.872 9.404 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.118 -2.777 9.429 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.199 0.454 10.832 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.156 -0.904 10.233 1.00 0.00 H new ATOM 337 N GLU A 26 1.602 -1.007 8.377 1.00 0.00 N ATOM 338 CA GLU A 26 0.680 0.043 8.796 1.00 0.00 C ATOM 339 C GLU A 26 1.437 1.230 9.384 1.00 0.00 C ATOM 340 O GLU A 26 2.481 1.062 10.016 1.00 0.00 O ATOM 341 CB GLU A 26 -0.315 -0.503 9.822 1.00 0.00 C ATOM 342 CG GLU A 26 -1.618 -0.987 9.208 1.00 0.00 C ATOM 343 CD GLU A 26 -2.560 -1.584 10.235 1.00 0.00 C ATOM 344 OE1 GLU A 26 -2.407 -2.781 10.556 1.00 0.00 O ATOM 345 OE2 GLU A 26 -3.450 -0.853 10.718 1.00 0.00 O ATOM 0 H GLU A 26 1.463 -1.902 8.845 1.00 0.00 H new ATOM 0 HA GLU A 26 0.134 0.384 7.917 1.00 0.00 H new ATOM 0 HB2 GLU A 26 0.150 -1.327 10.364 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.534 0.275 10.553 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.112 -0.153 8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.400 -1.733 8.443 1.00 0.00 H new ATOM 352 N GLY A 27 0.904 2.428 9.172 1.00 0.00 N ATOM 353 CA GLY A 27 1.542 3.625 9.688 1.00 0.00 C ATOM 354 C GLY A 27 2.843 3.946 8.975 1.00 0.00 C ATOM 355 O GLY A 27 3.714 4.615 9.531 1.00 0.00 O ATOM 0 H GLY A 27 0.042 2.592 8.652 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.859 4.469 9.587 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.737 3.498 10.753 1.00 0.00 H new ATOM 359 N GLU A 28 2.975 3.469 7.741 1.00 0.00 N ATOM 360 CA GLU A 28 4.178 3.710 6.952 1.00 0.00 C ATOM 361 C GLU A 28 3.830 4.344 5.609 1.00 0.00 C ATOM 362 O GLU A 28 2.913 3.897 4.921 1.00 0.00 O ATOM 363 CB GLU A 28 4.938 2.401 6.729 1.00 0.00 C ATOM 364 CG GLU A 28 6.446 2.578 6.668 1.00 0.00 C ATOM 365 CD GLU A 28 7.050 2.906 8.020 1.00 0.00 C ATOM 366 OE1 GLU A 28 7.101 2.003 8.882 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.471 4.065 8.215 1.00 0.00 O ATOM 0 H GLU A 28 2.264 2.913 7.266 1.00 0.00 H new ATOM 0 HA GLU A 28 4.813 4.401 7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.694 1.707 7.533 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.596 1.945 5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.900 1.665 6.283 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.686 3.375 5.964 1.00 0.00 H new ATOM 374 N PHE A 29 4.567 5.388 5.244 1.00 0.00 N ATOM 375 CA PHE A 29 4.335 6.082 3.983 1.00 0.00 C ATOM 376 C PHE A 29 4.800 5.235 2.802 1.00 0.00 C ATOM 377 O PHE A 29 5.806 4.532 2.888 1.00 0.00 O ATOM 378 CB PHE A 29 5.058 7.432 3.979 1.00 0.00 C ATOM 379 CG PHE A 29 4.133 8.607 3.844 1.00 0.00 C ATOM 380 CD1 PHE A 29 3.563 9.190 4.964 1.00 0.00 C ATOM 381 CD2 PHE A 29 3.834 9.130 2.595 1.00 0.00 C ATOM 382 CE1 PHE A 29 2.712 10.272 4.843 1.00 0.00 C ATOM 383 CE2 PHE A 29 2.983 10.212 2.468 1.00 0.00 C ATOM 384 CZ PHE A 29 2.422 10.784 3.593 1.00 0.00 C ATOM 0 H PHE A 29 5.329 5.772 5.803 1.00 0.00 H new ATOM 0 HA PHE A 29 3.263 6.253 3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.628 7.533 4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.775 7.448 3.159 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.786 8.794 5.944 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.271 8.687 1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.274 10.717 5.724 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.757 10.610 1.490 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.758 11.630 3.496 1.00 0.00 H new ATOM 394 N VAL A 30 4.061 5.308 1.700 1.00 0.00 N ATOM 395 CA VAL A 30 4.397 4.548 0.502 1.00 0.00 C ATOM 396 C VAL A 30 4.129 5.361 -0.760 1.00 0.00 C ATOM 397 O VAL A 30 3.505 6.421 -0.706 1.00 0.00 O ATOM 398 CB VAL A 30 3.599 3.233 0.429 1.00 0.00 C ATOM 399 CG1 VAL A 30 3.996 2.302 1.564 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.104 3.513 0.459 1.00 0.00 C ATOM 0 H VAL A 30 3.225 5.886 1.612 1.00 0.00 H new ATOM 0 HA VAL A 30 5.461 4.317 0.563 1.00 0.00 H new ATOM 0 HB VAL A 30 3.835 2.740 -0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.421 1.378 1.495 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.059 2.074 1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.792 2.786 2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.556 2.572 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.849 4.030 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.834 4.138 -0.392 1.00 0.00 H new ATOM 410 N THR A 31 4.606 4.858 -1.893 1.00 0.00 N ATOM 411 CA THR A 31 4.420 5.538 -3.170 1.00 0.00 C ATOM 412 C THR A 31 3.943 4.563 -4.242 1.00 0.00 C ATOM 413 O THR A 31 4.086 3.348 -4.097 1.00 0.00 O ATOM 414 CB THR A 31 5.724 6.203 -3.613 1.00 0.00 C ATOM 415 OG1 THR A 31 5.542 6.902 -4.832 1.00 0.00 O ATOM 416 CG2 THR A 31 6.858 5.221 -3.812 1.00 0.00 C ATOM 0 H THR A 31 5.124 3.982 -1.954 1.00 0.00 H new ATOM 0 HA THR A 31 3.657 6.305 -3.036 1.00 0.00 H new ATOM 0 HB THR A 31 5.991 6.883 -2.804 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.387 7.322 -5.098 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.753 5.758 -4.126 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.057 4.700 -2.875 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.582 4.497 -4.578 1.00 0.00 H new ATOM 424 N VAL A 32 3.376 5.101 -5.316 1.00 0.00 N ATOM 425 CA VAL A 32 2.878 4.278 -6.411 1.00 0.00 C ATOM 426 C VAL A 32 3.379 4.793 -7.756 1.00 0.00 C ATOM 427 O VAL A 32 3.844 4.020 -8.594 1.00 0.00 O ATOM 428 CB VAL A 32 1.339 4.240 -6.431 1.00 0.00 C ATOM 429 CG1 VAL A 32 0.812 3.344 -5.319 1.00 0.00 C ATOM 430 CG2 VAL A 32 0.767 5.644 -6.308 1.00 0.00 C ATOM 0 H VAL A 32 3.250 6.104 -5.451 1.00 0.00 H new ATOM 0 HA VAL A 32 3.257 3.269 -6.246 1.00 0.00 H new ATOM 0 HB VAL A 32 1.018 3.824 -7.386 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.277 3.330 -5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.192 2.332 -5.456 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.143 3.728 -4.354 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.322 5.596 -6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.097 6.090 -5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.116 6.253 -7.142 1.00 0.00 H new ATOM 496 N THR A 37 0.907 10.096 -2.886 1.00 0.00 N ATOM 497 CA THR A 37 1.505 9.274 -1.840 1.00 0.00 C ATOM 498 C THR A 37 0.571 9.159 -0.639 1.00 0.00 C ATOM 499 O THR A 37 0.086 10.164 -0.118 1.00 0.00 O ATOM 500 CB THR A 37 2.846 9.865 -1.403 1.00 0.00 C ATOM 501 OG1 THR A 37 2.660 11.124 -0.779 1.00 0.00 O ATOM 502 CG2 THR A 37 3.817 10.058 -2.546 1.00 0.00 C ATOM 0 HA THR A 37 1.671 8.276 -2.246 1.00 0.00 H new ATOM 0 HB THR A 37 3.268 9.139 -0.709 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.737 11.196 -0.457 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.747 10.480 -2.166 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.021 9.096 -3.017 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.384 10.737 -3.281 1.00 0.00 H new ATOM 510 N GLY A 38 0.323 7.928 -0.205 1.00 0.00 N ATOM 511 CA GLY A 38 -0.551 7.705 0.931 1.00 0.00 C ATOM 512 C GLY A 38 0.054 6.762 1.953 1.00 0.00 C ATOM 513 O GLY A 38 0.987 6.021 1.647 1.00 0.00 O ATOM 0 H GLY A 38 0.712 7.081 -0.620 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.772 8.660 1.408 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.499 7.297 0.581 1.00 0.00 H new ATOM 517 N VAL A 39 -0.480 6.790 3.170 1.00 0.00 N ATOM 518 CA VAL A 39 0.013 5.931 4.240 1.00 0.00 C ATOM 519 C VAL A 39 -0.721 4.594 4.253 1.00 0.00 C ATOM 520 O VAL A 39 -1.885 4.510 3.863 1.00 0.00 O ATOM 521 CB VAL A 39 -0.146 6.603 5.617 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.542 5.782 6.696 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.403 8.022 5.586 1.00 0.00 C ATOM 0 H VAL A 39 -1.254 7.398 3.439 1.00 0.00 H new ATOM 0 HA VAL A 39 1.072 5.760 4.047 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.209 6.654 5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.418 6.273 7.661 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.098 4.788 6.735 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.604 5.696 6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.282 8.481 6.567 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.461 7.997 5.325 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.140 8.606 4.843 1.00 0.00 H new ATOM 533 N VAL A 40 -0.032 3.551 4.705 1.00 0.00 N ATOM 534 CA VAL A 40 -0.619 2.217 4.768 1.00 0.00 C ATOM 535 C VAL A 40 -1.558 2.086 5.962 1.00 0.00 C ATOM 536 O VAL A 40 -1.157 2.299 7.107 1.00 0.00 O ATOM 537 CB VAL A 40 0.468 1.130 4.862 1.00 0.00 C ATOM 538 CG1 VAL A 40 -0.150 -0.254 4.733 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.535 1.347 3.799 1.00 0.00 C ATOM 0 H VAL A 40 0.932 3.604 5.033 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.185 2.076 3.847 1.00 0.00 H new ATOM 0 HB VAL A 40 0.944 1.201 5.840 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.632 -1.010 4.802 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.873 -0.406 5.535 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.653 -0.339 3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.294 0.569 3.881 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.078 1.304 2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.998 2.323 3.943 1.00 0.00 H new ATOM 549 N ARG A 41 -2.810 1.735 5.687 1.00 0.00 N ATOM 550 CA ARG A 41 -3.808 1.574 6.739 1.00 0.00 C ATOM 551 C ARG A 41 -4.148 0.102 6.947 1.00 0.00 C ATOM 552 O ARG A 41 -4.476 -0.319 8.056 1.00 0.00 O ATOM 553 CB ARG A 41 -5.074 2.359 6.391 1.00 0.00 C ATOM 554 CG ARG A 41 -4.799 3.764 5.884 1.00 0.00 C ATOM 555 CD ARG A 41 -4.157 4.630 6.957 1.00 0.00 C ATOM 556 NE ARG A 41 -5.142 5.450 7.660 1.00 0.00 N ATOM 557 CZ ARG A 41 -4.832 6.526 8.380 1.00 0.00 C ATOM 558 NH1 ARG A 41 -3.568 6.915 8.495 1.00 0.00 N ATOM 559 NH2 ARG A 41 -5.789 7.215 8.986 1.00 0.00 N ATOM 0 H ARG A 41 -3.158 1.557 4.745 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.389 1.964 7.667 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.634 1.811 5.633 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.709 2.419 7.275 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.144 3.716 5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.732 4.222 5.556 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.637 3.994 7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.407 5.276 6.501 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.124 5.182 7.595 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.828 6.389 8.030 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.337 7.740 9.048 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -6.762 6.921 8.900 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.552 8.040 9.538 1.00 0.00 H new ATOM 573 N TYR A 42 -4.067 -0.676 5.872 1.00 0.00 N ATOM 574 CA TYR A 42 -4.365 -2.102 5.935 1.00 0.00 C ATOM 575 C TYR A 42 -3.225 -2.924 5.343 1.00 0.00 C ATOM 576 O TYR A 42 -2.599 -2.519 4.362 1.00 0.00 O ATOM 577 CB TYR A 42 -5.668 -2.407 5.193 1.00 0.00 C ATOM 578 CG TYR A 42 -6.227 -3.781 5.487 1.00 0.00 C ATOM 579 CD1 TYR A 42 -6.812 -4.065 6.714 1.00 0.00 C ATOM 580 CD2 TYR A 42 -6.171 -4.793 4.536 1.00 0.00 C ATOM 581 CE1 TYR A 42 -7.325 -5.319 6.986 1.00 0.00 C ATOM 582 CE2 TYR A 42 -6.682 -6.049 4.802 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.258 -6.308 6.027 1.00 0.00 C ATOM 584 OH TYR A 42 -7.767 -7.557 6.294 1.00 0.00 O ATOM 0 H TYR A 42 -3.797 -0.342 4.947 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.480 -2.376 6.984 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.412 -1.657 5.460 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.495 -2.317 4.121 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -6.867 -3.293 7.468 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.721 -4.595 3.574 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -7.776 -5.524 7.945 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.630 -6.825 4.053 1.00 0.00 H new ATOM 0 HH TYR A 42 -7.641 -8.135 5.513 1.00 0.00 H new ATOM 594 N VAL A 43 -2.960 -4.079 5.944 1.00 0.00 N ATOM 595 CA VAL A 43 -1.896 -4.957 5.474 1.00 0.00 C ATOM 596 C VAL A 43 -2.290 -6.423 5.616 1.00 0.00 C ATOM 597 O VAL A 43 -2.204 -6.997 6.703 1.00 0.00 O ATOM 598 CB VAL A 43 -0.584 -4.713 6.245 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.559 -5.492 5.614 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.264 -3.228 6.297 1.00 0.00 C ATOM 0 H VAL A 43 -3.467 -4.428 6.757 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.738 -4.726 4.420 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.713 -5.068 7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.477 -5.307 6.172 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.329 -6.557 5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.691 -5.171 4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.666 -3.075 6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.155 -2.844 5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.073 -2.699 6.800 1.00 0.00 H new ATOM 610 N GLY A 44 -2.722 -7.024 4.513 1.00 0.00 N ATOM 611 CA GLY A 44 -3.123 -8.417 4.536 1.00 0.00 C ATOM 612 C GLY A 44 -3.987 -8.794 3.346 1.00 0.00 C ATOM 613 O GLY A 44 -4.231 -7.966 2.469 1.00 0.00 O ATOM 0 H GLY A 44 -2.801 -6.570 3.603 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.234 -9.047 4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.671 -8.619 5.457 1.00 0.00 H new ATOM 617 N PRO A 45 -4.469 -10.047 3.290 1.00 0.00 N ATOM 618 CA PRO A 45 -5.313 -10.520 2.188 1.00 0.00 C ATOM 619 C PRO A 45 -6.684 -9.851 2.182 1.00 0.00 C ATOM 620 O PRO A 45 -6.977 -9.008 3.030 1.00 0.00 O ATOM 621 CB PRO A 45 -5.451 -12.021 2.459 1.00 0.00 C ATOM 622 CG PRO A 45 -5.221 -12.166 3.924 1.00 0.00 C ATOM 623 CD PRO A 45 -4.227 -11.100 4.293 1.00 0.00 C ATOM 0 HA PRO A 45 -4.878 -10.290 1.215 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.439 -12.385 2.176 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.723 -12.595 1.886 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.151 -12.042 4.479 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.837 -13.158 4.163 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.388 -10.734 5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.203 -11.472 4.247 1.00 0.00 H new ATOM 631 N ALA A 46 -7.518 -10.231 1.220 1.00 0.00 N ATOM 632 CA ALA A 46 -8.858 -9.666 1.102 1.00 0.00 C ATOM 633 C ALA A 46 -9.927 -10.726 1.348 1.00 0.00 C ATOM 634 O ALA A 46 -9.615 -11.896 1.573 1.00 0.00 O ATOM 635 CB ALA A 46 -9.044 -9.036 -0.269 1.00 0.00 C ATOM 0 H ALA A 46 -7.290 -10.928 0.511 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.968 -8.895 1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.048 -8.618 -0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.309 -8.243 -0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.908 -9.795 -1.040 1.00 0.00 H new ATOM 641 N ASP A 47 -11.188 -10.308 1.301 1.00 0.00 N ATOM 642 CA ASP A 47 -12.304 -11.222 1.517 1.00 0.00 C ATOM 643 C ASP A 47 -12.862 -11.736 0.191 1.00 0.00 C ATOM 644 O ASP A 47 -13.965 -12.279 0.141 1.00 0.00 O ATOM 645 CB ASP A 47 -13.411 -10.528 2.313 1.00 0.00 C ATOM 646 CG ASP A 47 -13.157 -10.560 3.807 1.00 0.00 C ATOM 647 OD1 ASP A 47 -12.051 -10.164 4.229 1.00 0.00 O ATOM 648 OD2 ASP A 47 -14.065 -10.980 4.555 1.00 0.00 O ATOM 0 H ASP A 47 -11.462 -9.343 1.115 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.933 -12.075 2.085 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.496 -9.492 1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.365 -11.010 2.099 1.00 0.00 H new ATOM 653 N PHE A 48 -12.094 -11.565 -0.882 1.00 0.00 N ATOM 654 CA PHE A 48 -12.516 -12.017 -2.204 1.00 0.00 C ATOM 655 C PHE A 48 -11.360 -12.684 -2.943 1.00 0.00 C ATOM 656 O PHE A 48 -11.521 -13.755 -3.528 1.00 0.00 O ATOM 657 CB PHE A 48 -13.052 -10.841 -3.025 1.00 0.00 C ATOM 658 CG PHE A 48 -12.065 -9.718 -3.184 1.00 0.00 C ATOM 659 CD1 PHE A 48 -11.151 -9.724 -4.225 1.00 0.00 C ATOM 660 CD2 PHE A 48 -12.055 -8.656 -2.294 1.00 0.00 C ATOM 661 CE1 PHE A 48 -10.243 -8.693 -4.375 1.00 0.00 C ATOM 662 CE2 PHE A 48 -11.150 -7.622 -2.439 1.00 0.00 C ATOM 663 CZ PHE A 48 -10.244 -7.640 -3.481 1.00 0.00 C ATOM 0 H PHE A 48 -11.178 -11.117 -0.862 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.313 -12.749 -2.073 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.343 -11.201 -4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -13.953 -10.456 -2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.148 -10.544 -4.928 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -12.762 -8.636 -1.478 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.534 -8.711 -5.190 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.151 -6.800 -1.738 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.537 -6.832 -3.597 1.00 0.00 H new ATOM 673 N GLN A 49 -10.197 -12.044 -2.910 1.00 0.00 N ATOM 674 CA GLN A 49 -9.013 -12.575 -3.576 1.00 0.00 C ATOM 675 C GLN A 49 -8.054 -13.192 -2.562 1.00 0.00 C ATOM 676 O GLN A 49 -8.105 -12.876 -1.373 1.00 0.00 O ATOM 677 CB GLN A 49 -8.305 -11.469 -4.360 1.00 0.00 C ATOM 678 CG GLN A 49 -8.712 -11.405 -5.823 1.00 0.00 C ATOM 679 CD GLN A 49 -7.656 -11.978 -6.747 1.00 0.00 C ATOM 680 OE1 GLN A 49 -6.672 -12.565 -6.295 1.00 0.00 O ATOM 681 NE2 GLN A 49 -7.854 -11.811 -8.049 1.00 0.00 N ATOM 0 H GLN A 49 -10.048 -11.157 -2.429 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.332 -13.353 -4.269 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.517 -10.509 -3.890 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.228 -11.623 -4.297 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.645 -11.951 -5.961 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.906 -10.368 -6.097 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.684 -11.318 -8.380 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.177 -12.176 -8.719 1.00 0.00 H new ATOM 690 N GLU A 50 -7.182 -14.072 -3.040 1.00 0.00 N ATOM 691 CA GLU A 50 -6.214 -14.733 -2.173 1.00 0.00 C ATOM 692 C GLU A 50 -4.817 -14.152 -2.373 1.00 0.00 C ATOM 693 O GLU A 50 -4.405 -13.874 -3.500 1.00 0.00 O ATOM 694 CB GLU A 50 -6.197 -16.238 -2.446 1.00 0.00 C ATOM 695 CG GLU A 50 -7.518 -16.925 -2.139 1.00 0.00 C ATOM 696 CD GLU A 50 -7.758 -17.085 -0.650 1.00 0.00 C ATOM 697 OE1 GLU A 50 -7.603 -16.088 0.087 1.00 0.00 O ATOM 698 OE2 GLU A 50 -8.101 -18.207 -0.221 1.00 0.00 O ATOM 0 H GLU A 50 -7.125 -14.344 -4.021 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.514 -14.562 -1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.944 -16.407 -3.493 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.410 -16.699 -1.849 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.334 -16.348 -2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.532 -17.906 -2.613 1.00 0.00 H new ATOM 705 N GLY A 51 -4.095 -13.971 -1.273 1.00 0.00 N ATOM 706 CA GLY A 51 -2.754 -13.424 -1.348 1.00 0.00 C ATOM 707 C GLY A 51 -2.470 -12.432 -0.237 1.00 0.00 C ATOM 708 O GLY A 51 -2.568 -12.767 0.944 1.00 0.00 O ATOM 0 H GLY A 51 -4.415 -14.194 -0.330 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.030 -14.237 -1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.618 -12.934 -2.312 1.00 0.00 H new ATOM 712 N THR A 52 -2.115 -11.208 -0.615 1.00 0.00 N ATOM 713 CA THR A 52 -1.815 -10.164 0.358 1.00 0.00 C ATOM 714 C THR A 52 -1.964 -8.782 -0.267 1.00 0.00 C ATOM 715 O THR A 52 -1.206 -8.409 -1.162 1.00 0.00 O ATOM 716 CB THR A 52 -0.397 -10.339 0.905 1.00 0.00 C ATOM 717 OG1 THR A 52 -0.199 -11.662 1.371 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.076 -9.397 2.045 1.00 0.00 C ATOM 0 H THR A 52 -2.028 -10.915 -1.588 1.00 0.00 H new ATOM 0 HA THR A 52 -2.526 -10.251 1.179 1.00 0.00 H new ATOM 0 HB THR A 52 0.266 -10.112 0.070 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.063 -12.058 1.609 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.944 -9.573 2.386 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.171 -8.366 1.703 1.00 0.00 H new ATOM 0 HG23 THR A 52 -0.769 -9.572 2.868 1.00 0.00 H new ATOM 726 N TRP A 53 -2.948 -8.025 0.210 1.00 0.00 N ATOM 727 CA TRP A 53 -3.196 -6.683 -0.302 1.00 0.00 C ATOM 728 C TRP A 53 -2.836 -5.627 0.738 1.00 0.00 C ATOM 729 O TRP A 53 -2.714 -5.930 1.926 1.00 0.00 O ATOM 730 CB TRP A 53 -4.663 -6.535 -0.712 1.00 0.00 C ATOM 731 CG TRP A 53 -5.053 -7.428 -1.851 1.00 0.00 C ATOM 732 CD1 TRP A 53 -5.261 -8.776 -1.801 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.283 -7.035 -3.209 1.00 0.00 C ATOM 734 NE1 TRP A 53 -5.604 -9.246 -3.047 1.00 0.00 N ATOM 735 CE2 TRP A 53 -5.624 -8.197 -3.927 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.231 -5.814 -3.888 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -5.914 -8.172 -5.289 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -5.519 -5.792 -5.241 1.00 0.00 C ATOM 739 CH2 TRP A 53 -5.856 -6.964 -5.928 1.00 0.00 C ATOM 0 H TRP A 53 -3.586 -8.319 0.950 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.564 -6.532 -1.177 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.297 -6.755 0.147 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.852 -5.498 -0.991 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.170 -9.384 -0.913 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.810 -10.218 -3.278 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.971 -4.905 -3.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -6.175 -9.074 -5.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.483 -4.855 -5.776 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.075 -6.913 -6.984 1.00 0.00 H new ATOM 750 N VAL A 54 -2.667 -4.390 0.286 1.00 0.00 N ATOM 751 CA VAL A 54 -2.321 -3.290 1.178 1.00 0.00 C ATOM 752 C VAL A 54 -3.116 -2.035 0.838 1.00 0.00 C ATOM 753 O VAL A 54 -3.173 -1.618 -0.319 1.00 0.00 O ATOM 754 CB VAL A 54 -0.817 -2.964 1.113 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.440 -1.959 2.190 1.00 0.00 C ATOM 756 CG2 VAL A 54 0.011 -4.235 1.244 1.00 0.00 C ATOM 0 H VAL A 54 -2.764 -4.123 -0.694 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.571 -3.613 2.188 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.603 -2.517 0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.626 -1.742 2.128 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.007 -1.040 2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.669 -2.374 3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.071 -3.985 1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.206 -4.714 2.199 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.238 -4.917 0.431 1.00 0.00 H new ATOM 766 N GLY A 55 -3.729 -1.436 1.854 1.00 0.00 N ATOM 767 CA GLY A 55 -4.513 -0.234 1.642 1.00 0.00 C ATOM 768 C GLY A 55 -3.692 1.030 1.804 1.00 0.00 C ATOM 769 O GLY A 55 -2.776 1.082 2.625 1.00 0.00 O ATOM 0 H GLY A 55 -3.697 -1.762 2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.945 -0.257 0.641 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.344 -0.217 2.347 1.00 0.00 H new ATOM 773 N VAL A 56 -4.019 2.051 1.020 1.00 0.00 N ATOM 774 CA VAL A 56 -3.304 3.321 1.081 1.00 0.00 C ATOM 775 C VAL A 56 -4.270 4.484 1.278 1.00 0.00 C ATOM 776 O VAL A 56 -5.286 4.585 0.590 1.00 0.00 O ATOM 777 CB VAL A 56 -2.479 3.563 -0.198 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.618 4.809 -0.052 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.620 2.349 -0.520 1.00 0.00 C ATOM 0 H VAL A 56 -4.774 2.024 0.335 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.628 3.264 1.934 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.169 3.721 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.043 4.963 -0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.257 5.674 0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.936 4.684 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.045 2.540 -1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.938 2.156 0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.260 1.480 -0.673 1.00 0.00 H new ATOM 789 N GLU A 57 -3.947 5.361 2.224 1.00 0.00 N ATOM 790 CA GLU A 57 -4.787 6.516 2.514 1.00 0.00 C ATOM 791 C GLU A 57 -4.226 7.775 1.859 1.00 0.00 C ATOM 792 O GLU A 57 -3.159 8.259 2.236 1.00 0.00 O ATOM 793 CB GLU A 57 -4.904 6.722 4.025 1.00 0.00 C ATOM 794 CG GLU A 57 -5.840 7.855 4.414 1.00 0.00 C ATOM 795 CD GLU A 57 -5.101 9.138 4.738 1.00 0.00 C ATOM 796 OE1 GLU A 57 -4.388 9.169 5.763 1.00 0.00 O ATOM 797 OE2 GLU A 57 -5.236 10.112 3.968 1.00 0.00 O ATOM 0 H GLU A 57 -3.109 5.293 2.802 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.778 6.325 2.103 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.256 5.798 4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.914 6.923 4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.540 8.039 3.599 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.431 7.552 5.279 1.00 0.00 H new ATOM 804 N LEU A 58 -4.953 8.299 0.878 1.00 0.00 N ATOM 805 CA LEU A 58 -4.528 9.501 0.170 1.00 0.00 C ATOM 806 C LEU A 58 -5.233 10.735 0.725 1.00 0.00 C ATOM 807 O LEU A 58 -6.462 10.802 0.747 1.00 0.00 O ATOM 808 CB LEU A 58 -4.814 9.366 -1.327 1.00 0.00 C ATOM 809 CG LEU A 58 -4.391 8.035 -1.950 1.00 0.00 C ATOM 810 CD1 LEU A 58 -5.167 7.776 -3.232 1.00 0.00 C ATOM 811 CD2 LEU A 58 -2.894 8.025 -2.219 1.00 0.00 C ATOM 0 H LEU A 58 -5.839 7.910 0.555 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.455 9.619 0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.883 9.503 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.305 10.174 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.618 7.236 -1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.853 6.825 -3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.234 7.740 -3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.971 8.578 -3.944 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.610 7.070 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.642 8.833 -2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.355 8.164 -1.282 1.00 0.00 H new ATOM 823 N ASP A 59 -4.447 11.710 1.169 1.00 0.00 N ATOM 824 CA ASP A 59 -4.996 12.942 1.722 1.00 0.00 C ATOM 825 C ASP A 59 -5.855 13.666 0.689 1.00 0.00 C ATOM 826 O ASP A 59 -6.814 14.354 1.038 1.00 0.00 O ATOM 827 CB ASP A 59 -3.869 13.859 2.199 1.00 0.00 C ATOM 828 CG ASP A 59 -3.032 13.226 3.293 1.00 0.00 C ATOM 829 OD1 ASP A 59 -2.463 12.141 3.052 1.00 0.00 O ATOM 830 OD2 ASP A 59 -2.946 13.814 4.391 1.00 0.00 O ATOM 0 H ASP A 59 -3.428 11.671 1.157 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.625 12.680 2.573 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.228 14.111 1.355 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.295 14.793 2.566 1.00 0.00 H new ATOM 835 N LEU A 60 -5.503 13.506 -0.582 1.00 0.00 N ATOM 836 CA LEU A 60 -6.241 14.145 -1.665 1.00 0.00 C ATOM 837 C LEU A 60 -6.973 13.104 -2.512 1.00 0.00 C ATOM 838 O LEU A 60 -6.474 11.998 -2.717 1.00 0.00 O ATOM 839 CB LEU A 60 -5.290 14.957 -2.546 1.00 0.00 C ATOM 840 CG LEU A 60 -4.884 16.317 -1.977 1.00 0.00 C ATOM 841 CD1 LEU A 60 -3.636 16.837 -2.674 1.00 0.00 C ATOM 842 CD2 LEU A 60 -6.025 17.313 -2.111 1.00 0.00 C ATOM 0 H LEU A 60 -4.712 12.940 -0.887 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.980 14.815 -1.224 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.389 14.369 -2.720 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.761 15.112 -3.516 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.659 16.193 -0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.363 17.806 -2.256 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.817 16.133 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.833 16.945 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.718 18.275 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.282 17.432 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.894 16.946 -1.565 1.00 0.00 H new ATOM 854 N PRO A 61 -8.171 13.447 -3.020 1.00 0.00 N ATOM 855 CA PRO A 61 -8.965 12.534 -3.849 1.00 0.00 C ATOM 856 C PRO A 61 -8.181 12.011 -5.048 1.00 0.00 C ATOM 857 O PRO A 61 -7.962 12.733 -6.021 1.00 0.00 O ATOM 858 CB PRO A 61 -10.139 13.400 -4.317 1.00 0.00 C ATOM 859 CG PRO A 61 -10.246 14.481 -3.298 1.00 0.00 C ATOM 860 CD PRO A 61 -8.842 14.746 -2.831 1.00 0.00 C ATOM 0 HA PRO A 61 -9.269 11.646 -3.295 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.957 13.810 -5.310 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.060 12.820 -4.376 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.691 15.379 -3.726 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.883 14.174 -2.468 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.366 15.534 -3.415 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.818 15.063 -1.788 1.00 0.00 H new ATOM 868 N SER A 62 -7.759 10.754 -4.970 1.00 0.00 N ATOM 869 CA SER A 62 -6.999 10.135 -6.050 1.00 0.00 C ATOM 870 C SER A 62 -7.092 8.615 -5.980 1.00 0.00 C ATOM 871 O SER A 62 -6.122 7.909 -6.262 1.00 0.00 O ATOM 872 CB SER A 62 -5.534 10.573 -5.984 1.00 0.00 C ATOM 873 OG SER A 62 -4.801 10.067 -7.087 1.00 0.00 O ATOM 0 H SER A 62 -7.930 10.144 -4.171 1.00 0.00 H new ATOM 0 HA SER A 62 -7.427 10.462 -6.997 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.477 11.661 -5.973 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.087 10.221 -5.054 1.00 0.00 H new ATOM 0 HG SER A 62 -4.998 9.114 -7.201 1.00 0.00 H new ATOM 879 N GLY A 63 -8.264 8.115 -5.602 1.00 0.00 N ATOM 880 CA GLY A 63 -8.462 6.681 -5.503 1.00 0.00 C ATOM 881 C GLY A 63 -9.768 6.234 -6.127 1.00 0.00 C ATOM 882 O GLY A 63 -10.258 6.855 -7.070 1.00 0.00 O ATOM 0 H GLY A 63 -9.080 8.678 -5.362 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.634 6.168 -5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.444 6.386 -4.454 1.00 0.00 H new ATOM 886 N LYS A 64 -10.334 5.152 -5.600 1.00 0.00 N ATOM 887 CA LYS A 64 -11.593 4.622 -6.112 1.00 0.00 C ATOM 888 C LYS A 64 -12.462 4.097 -4.976 1.00 0.00 C ATOM 889 O LYS A 64 -13.616 4.501 -4.825 1.00 0.00 O ATOM 890 CB LYS A 64 -11.328 3.507 -7.126 1.00 0.00 C ATOM 891 CG LYS A 64 -11.214 4.005 -8.560 1.00 0.00 C ATOM 892 CD LYS A 64 -12.158 3.258 -9.490 1.00 0.00 C ATOM 893 CE LYS A 64 -11.419 2.216 -10.316 1.00 0.00 C ATOM 894 NZ LYS A 64 -10.641 1.278 -9.460 1.00 0.00 N ATOM 0 H LYS A 64 -9.941 4.626 -4.820 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.125 5.433 -6.608 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.407 2.991 -6.855 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.133 2.774 -7.067 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.437 5.071 -8.594 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.188 3.883 -8.907 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.939 2.773 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.652 3.967 -10.154 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.135 1.652 -10.914 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -10.745 2.716 -11.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -10.364 0.446 -10.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -9.788 1.757 -9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -11.227 0.975 -8.656 1.00 0.00 H new ATOM 908 N ASN A 65 -11.901 3.195 -4.178 1.00 0.00 N ATOM 909 CA ASN A 65 -12.626 2.616 -3.054 1.00 0.00 C ATOM 910 C ASN A 65 -12.631 3.569 -1.863 1.00 0.00 C ATOM 911 O ASN A 65 -11.599 4.141 -1.509 1.00 0.00 O ATOM 912 CB ASN A 65 -12.002 1.279 -2.647 1.00 0.00 C ATOM 913 CG ASN A 65 -11.714 0.387 -3.840 1.00 0.00 C ATOM 914 OD1 ASN A 65 -10.614 0.407 -4.394 1.00 0.00 O ATOM 915 ND2 ASN A 65 -12.704 -0.402 -4.241 1.00 0.00 N ATOM 0 H ASN A 65 -10.948 2.850 -4.289 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.656 2.446 -3.369 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.076 1.464 -2.104 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.674 0.761 -1.963 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.569 -1.024 -5.038 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.599 -0.386 -3.752 1.00 0.00 H new ATOM 922 N ASP A 66 -13.797 3.734 -1.248 1.00 0.00 N ATOM 923 CA ASP A 66 -13.935 4.617 -0.096 1.00 0.00 C ATOM 924 C ASP A 66 -13.566 3.891 1.195 1.00 0.00 C ATOM 925 O ASP A 66 -14.357 3.831 2.137 1.00 0.00 O ATOM 926 CB ASP A 66 -15.366 5.150 -0.007 1.00 0.00 C ATOM 927 CG ASP A 66 -15.793 5.877 -1.268 1.00 0.00 C ATOM 928 OD1 ASP A 66 -14.961 6.613 -1.838 1.00 0.00 O ATOM 929 OD2 ASP A 66 -16.959 5.708 -1.685 1.00 0.00 O ATOM 0 H ASP A 66 -14.660 3.268 -1.528 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.250 5.455 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.048 4.321 0.180 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.446 5.827 0.844 1.00 0.00 H new ATOM 934 N GLY A 67 -12.357 3.336 1.230 1.00 0.00 N ATOM 935 CA GLY A 67 -11.902 2.619 2.407 1.00 0.00 C ATOM 936 C GLY A 67 -12.795 1.442 2.756 1.00 0.00 C ATOM 937 O GLY A 67 -12.755 0.939 3.879 1.00 0.00 O ATOM 0 H GLY A 67 -11.685 3.371 0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.886 2.262 2.240 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -11.864 3.305 3.253 1.00 0.00 H new ATOM 941 N SER A 68 -13.603 1.002 1.796 1.00 0.00 N ATOM 942 CA SER A 68 -14.506 -0.122 2.014 1.00 0.00 C ATOM 943 C SER A 68 -14.945 -0.732 0.687 1.00 0.00 C ATOM 944 O SER A 68 -15.579 -0.067 -0.133 1.00 0.00 O ATOM 945 CB SER A 68 -15.730 0.328 2.812 1.00 0.00 C ATOM 946 OG SER A 68 -16.049 1.681 2.538 1.00 0.00 O ATOM 0 H SER A 68 -13.651 1.406 0.861 1.00 0.00 H new ATOM 0 HA SER A 68 -13.970 -0.882 2.583 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.582 -0.306 2.566 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.538 0.205 3.878 1.00 0.00 H new ATOM 0 HG SER A 68 -16.836 1.944 3.059 1.00 0.00 H new ATOM 952 N ILE A 69 -14.607 -2.000 0.481 1.00 0.00 N ATOM 953 CA ILE A 69 -14.970 -2.696 -0.746 1.00 0.00 C ATOM 954 C ILE A 69 -16.485 -2.820 -0.876 1.00 0.00 C ATOM 955 O ILE A 69 -17.210 -2.741 0.116 1.00 0.00 O ATOM 956 CB ILE A 69 -14.343 -4.103 -0.805 1.00 0.00 C ATOM 957 CG1 ILE A 69 -12.838 -4.026 -0.537 1.00 0.00 C ATOM 958 CG2 ILE A 69 -14.613 -4.749 -2.155 1.00 0.00 C ATOM 959 CD1 ILE A 69 -12.100 -3.109 -1.487 1.00 0.00 C ATOM 0 H ILE A 69 -14.082 -2.566 1.148 1.00 0.00 H new ATOM 0 HA ILE A 69 -14.582 -2.102 -1.573 1.00 0.00 H new ATOM 0 HB ILE A 69 -14.800 -4.720 -0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.676 -3.683 0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.413 -5.027 -0.608 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -14.163 -5.742 -2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -15.689 -4.834 -2.309 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.181 -4.135 -2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -11.039 -3.104 -1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -12.231 -3.463 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -12.498 -2.098 -1.400 1.00 0.00 H new ATOM 971 N GLY A 70 -16.955 -3.010 -2.104 1.00 0.00 N ATOM 972 CA GLY A 70 -18.382 -3.139 -2.339 1.00 0.00 C ATOM 973 C GLY A 70 -18.995 -4.299 -1.578 1.00 0.00 C ATOM 974 O GLY A 70 -19.102 -5.407 -2.103 1.00 0.00 O ATOM 0 H GLY A 70 -16.375 -3.077 -2.940 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.880 -2.214 -2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.560 -3.274 -3.406 1.00 0.00 H new ATOM 978 N GLY A 71 -19.401 -4.041 -0.339 1.00 0.00 N ATOM 979 CA GLY A 71 -20.003 -5.082 0.475 1.00 0.00 C ATOM 980 C GLY A 71 -19.253 -5.316 1.772 1.00 0.00 C ATOM 981 O GLY A 71 -19.835 -5.755 2.763 1.00 0.00 O ATOM 0 H GLY A 71 -19.324 -3.131 0.116 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -21.034 -4.811 0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.034 -6.011 -0.095 1.00 0.00 H new ATOM 985 N LYS A 72 -17.955 -5.024 1.765 1.00 0.00 N ATOM 986 CA LYS A 72 -17.125 -5.209 2.950 1.00 0.00 C ATOM 987 C LYS A 72 -16.255 -3.982 3.204 1.00 0.00 C ATOM 988 O LYS A 72 -16.010 -3.184 2.299 1.00 0.00 O ATOM 989 CB LYS A 72 -16.245 -6.450 2.793 1.00 0.00 C ATOM 990 CG LYS A 72 -15.541 -6.865 4.075 1.00 0.00 C ATOM 991 CD LYS A 72 -16.535 -7.265 5.154 1.00 0.00 C ATOM 992 CE LYS A 72 -16.138 -8.572 5.822 1.00 0.00 C ATOM 993 NZ LYS A 72 -15.053 -8.377 6.823 1.00 0.00 N ATOM 0 H LYS A 72 -17.457 -4.659 0.953 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.785 -5.346 3.807 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -16.860 -7.279 2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.497 -6.259 2.023 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.871 -7.700 3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.924 -6.042 4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.596 -6.476 5.904 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -17.528 -7.366 4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -17.009 -9.009 6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.809 -9.282 5.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.811 -9.291 7.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.213 -7.984 6.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.376 -7.719 7.561 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.789 -3.838 4.441 1.00 0.00 N ATOM 1008 CA GLN A 73 -14.944 -2.710 4.815 1.00 0.00 C ATOM 1009 C GLN A 73 -13.567 -3.189 5.266 1.00 0.00 C ATOM 1010 O GLN A 73 -13.432 -4.272 5.836 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.606 -1.899 5.932 1.00 0.00 C ATOM 1012 CG GLN A 73 -14.799 -0.686 6.364 1.00 0.00 C ATOM 1013 CD GLN A 73 -15.619 0.301 7.173 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -16.607 -0.069 7.809 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -15.214 1.565 7.151 1.00 0.00 N ATOM 0 H GLN A 73 -15.983 -4.489 5.202 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.819 -2.074 3.939 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.589 -1.570 5.597 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.764 -2.546 6.795 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.945 -1.014 6.956 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.402 -0.185 5.481 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.390 1.827 6.610 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.727 2.274 7.675 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.549 -2.375 5.008 1.00 0.00 N ATOM 1025 CA TYR A 74 -11.182 -2.716 5.387 1.00 0.00 C ATOM 1026 C TYR A 74 -10.642 -1.734 6.421 1.00 0.00 C ATOM 1027 O TYR A 74 -10.100 -2.137 7.450 1.00 0.00 O ATOM 1028 CB TYR A 74 -10.276 -2.726 4.154 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.428 -3.964 3.300 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -11.671 -4.351 2.818 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -9.326 -4.747 2.975 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -11.813 -5.483 2.037 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -9.459 -5.879 2.195 1.00 0.00 C ATOM 1034 CZ TYR A 74 -10.705 -6.242 1.728 1.00 0.00 C ATOM 1035 OH TYR A 74 -10.843 -7.369 0.950 1.00 0.00 O ATOM 0 H TYR A 74 -12.644 -1.475 4.538 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.193 -3.712 5.830 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.493 -1.847 3.547 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.238 -2.642 4.476 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -12.541 -3.758 3.057 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.349 -4.465 3.339 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.787 -5.771 1.671 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.593 -6.476 1.952 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.367 -7.153 0.151 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.791 -0.444 6.140 1.00 0.00 N ATOM 1046 CA PHE A 75 -10.317 0.595 7.045 1.00 0.00 C ATOM 1047 C PHE A 75 -11.256 1.797 7.035 1.00 0.00 C ATOM 1048 O PHE A 75 -12.035 1.981 6.100 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.905 1.035 6.655 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.748 1.320 5.187 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -8.667 0.284 4.272 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -8.680 2.625 4.726 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -8.522 0.543 2.923 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -8.534 2.890 3.377 1.00 0.00 C ATOM 1055 CZ PHE A 75 -8.456 1.848 2.474 1.00 0.00 C ATOM 0 H PHE A 75 -11.237 -0.093 5.292 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.297 0.181 8.053 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.643 1.929 7.220 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.198 0.257 6.943 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.718 -0.738 4.617 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -8.742 3.444 5.428 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.460 -0.274 2.220 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.481 3.911 3.030 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.344 2.053 1.420 1.00 0.00 H new ATOM 1065 N ARG A 76 -11.177 2.612 8.082 1.00 0.00 N ATOM 1066 CA ARG A 76 -12.020 3.796 8.195 1.00 0.00 C ATOM 1067 C ARG A 76 -11.403 4.974 7.449 1.00 0.00 C ATOM 1068 O ARG A 76 -10.289 5.399 7.753 1.00 0.00 O ATOM 1069 CB ARG A 76 -12.230 4.162 9.665 1.00 0.00 C ATOM 1070 CG ARG A 76 -12.933 3.080 10.468 1.00 0.00 C ATOM 1071 CD ARG A 76 -13.833 3.676 11.537 1.00 0.00 C ATOM 1072 NE ARG A 76 -13.103 4.574 12.429 1.00 0.00 N ATOM 1073 CZ ARG A 76 -12.243 4.159 13.356 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -12.002 2.864 13.515 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -11.621 5.042 14.126 1.00 0.00 N ATOM 0 H ARG A 76 -10.537 2.474 8.864 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.986 3.568 7.744 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.262 4.370 10.121 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.813 5.081 9.722 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.525 2.456 9.799 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.191 2.432 10.935 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.648 4.221 11.062 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -14.284 2.873 12.120 1.00 0.00 H new ATOM 0 HE ARG A 76 -13.262 5.577 12.336 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.477 2.181 12.925 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.342 2.552 14.227 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.802 6.039 14.008 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -10.962 4.724 14.837 1.00 0.00 H new ATOM 1089 N CYS A 77 -12.135 5.499 6.473 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.660 6.629 5.683 1.00 0.00 C ATOM 1091 C CYS A 77 -12.825 7.367 5.033 1.00 0.00 C ATOM 1092 O CYS A 77 -13.943 6.855 4.976 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.679 6.153 4.610 1.00 0.00 C ATOM 1094 SG CYS A 77 -8.952 6.138 5.144 1.00 0.00 S ATOM 0 H CYS A 77 -13.060 5.160 6.210 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.147 7.318 6.354 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.960 5.148 4.296 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.772 6.797 3.736 1.00 0.00 H new ATOM 0 HG CYS A 77 -8.894 5.894 6.420 1.00 0.00 H new ATOM 1100 N ASN A 78 -12.556 8.572 4.542 1.00 0.00 N ATOM 1101 CA ASN A 78 -13.581 9.382 3.895 1.00 0.00 C ATOM 1102 C ASN A 78 -13.736 8.993 2.427 1.00 0.00 C ATOM 1103 O ASN A 78 -12.780 8.555 1.788 1.00 0.00 O ATOM 1104 CB ASN A 78 -13.233 10.867 4.007 1.00 0.00 C ATOM 1105 CG ASN A 78 -13.165 11.338 5.447 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -12.299 10.911 6.211 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -14.079 12.223 5.823 1.00 0.00 N ATOM 0 H ASN A 78 -11.635 9.010 4.580 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.528 9.199 4.403 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.274 11.050 3.522 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.979 11.454 3.471 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -14.083 12.577 6.779 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -14.778 12.549 5.156 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.950 9.150 1.871 1.00 0.00 N ATOM 1115 CA PRO A 79 -15.226 8.814 0.470 1.00 0.00 C ATOM 1116 C PRO A 79 -14.257 9.494 -0.490 1.00 0.00 C ATOM 1117 O PRO A 79 -14.175 10.721 -0.540 1.00 0.00 O ATOM 1118 CB PRO A 79 -16.649 9.334 0.251 1.00 0.00 C ATOM 1119 CG PRO A 79 -17.262 9.347 1.607 1.00 0.00 C ATOM 1120 CD PRO A 79 -16.146 9.666 2.562 1.00 0.00 C ATOM 0 HA PRO A 79 -15.115 7.747 0.278 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.642 10.331 -0.190 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.206 8.689 -0.429 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -18.055 10.093 1.670 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.712 8.382 1.841 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -16.071 10.737 2.750 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.293 9.182 3.528 1.00 0.00 H new ATOM 1128 N GLY A 80 -13.524 8.689 -1.253 1.00 0.00 N ATOM 1129 CA GLY A 80 -12.570 9.231 -2.202 1.00 0.00 C ATOM 1130 C GLY A 80 -11.260 9.623 -1.549 1.00 0.00 C ATOM 1131 O GLY A 80 -10.718 10.693 -1.824 1.00 0.00 O ATOM 0 H GLY A 80 -13.574 7.670 -1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.377 8.493 -2.980 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.004 10.103 -2.690 1.00 0.00 H new ATOM 1135 N TYR A 81 -10.751 8.755 -0.681 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.495 9.016 0.013 1.00 0.00 C ATOM 1137 C TYR A 81 -8.825 7.711 0.431 1.00 0.00 C ATOM 1138 O TYR A 81 -8.162 7.647 1.467 1.00 0.00 O ATOM 1139 CB TYR A 81 -9.741 9.895 1.240 1.00 0.00 C ATOM 1140 CG TYR A 81 -10.316 11.253 0.906 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -9.487 12.321 0.585 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -11.688 11.468 0.913 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -10.009 13.564 0.280 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -12.218 12.708 0.609 1.00 0.00 C ATOM 1145 CZ TYR A 81 -11.375 13.751 0.293 1.00 0.00 C ATOM 1146 OH TYR A 81 -11.899 14.987 -0.011 1.00 0.00 O ATOM 0 H TYR A 81 -11.189 7.865 -0.441 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.830 9.541 -0.673 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.422 9.378 1.916 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.801 10.029 1.775 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -8.417 12.177 0.574 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.352 10.653 1.160 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -9.351 14.384 0.033 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -13.287 12.858 0.619 1.00 0.00 H new ATOM 0 HH TYR A 81 -12.877 14.950 0.043 1.00 0.00 H new ATOM 1156 N GLY A 82 -9.001 6.675 -0.382 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.408 5.386 -0.081 1.00 0.00 C ATOM 1158 C GLY A 82 -8.295 4.502 -1.308 1.00 0.00 C ATOM 1159 O GLY A 82 -9.064 4.646 -2.257 1.00 0.00 O ATOM 0 H GLY A 82 -9.544 6.705 -1.245 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.417 5.536 0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.009 4.880 0.674 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.333 3.584 -1.287 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.122 2.675 -2.408 1.00 0.00 C ATOM 1165 C LEU A 83 -6.346 1.438 -1.968 1.00 0.00 C ATOM 1166 O LEU A 83 -5.331 1.542 -1.280 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.374 3.387 -3.536 1.00 0.00 C ATOM 1168 CG LEU A 83 -6.343 2.636 -4.868 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.682 2.755 -5.579 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -5.221 3.164 -5.749 1.00 0.00 C ATOM 0 H LEU A 83 -6.689 3.450 -0.508 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.098 2.357 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.833 4.362 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.348 3.567 -3.214 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.155 1.582 -4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.641 2.215 -6.525 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.466 2.330 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.900 3.806 -5.771 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.213 2.619 -6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.380 4.225 -5.944 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.266 3.027 -5.243 1.00 0.00 H new ATOM 1182 N LEU A 84 -6.830 0.267 -2.371 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.181 -0.990 -2.020 1.00 0.00 C ATOM 1184 C LEU A 84 -5.357 -1.520 -3.190 1.00 0.00 C ATOM 1185 O LEU A 84 -5.880 -1.736 -4.283 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.226 -2.028 -1.604 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.432 -2.168 -0.094 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -8.764 -2.843 0.202 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.286 -2.951 0.528 1.00 0.00 C ATOM 0 H LEU A 84 -7.670 0.163 -2.941 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.510 -0.804 -1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.179 -1.766 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.934 -2.998 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.447 -1.171 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.894 -2.934 1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.575 -2.244 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.778 -3.835 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.448 -3.041 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.241 -3.945 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.347 -2.428 0.345 1.00 0.00 H new ATOM 1201 N VAL A 85 -4.065 -1.724 -2.953 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.169 -2.227 -3.987 1.00 0.00 C ATOM 1203 C VAL A 85 -2.250 -3.312 -3.439 1.00 0.00 C ATOM 1204 O VAL A 85 -2.007 -3.386 -2.235 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.308 -1.096 -4.581 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.169 -0.135 -5.385 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -1.560 -0.361 -3.480 1.00 0.00 C ATOM 0 H VAL A 85 -3.616 -1.549 -2.054 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.797 -2.649 -4.772 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.574 -1.538 -5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.543 0.657 -5.797 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.654 -0.674 -6.199 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.928 0.303 -4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.957 0.434 -3.918 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.275 0.070 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.911 -1.060 -2.952 1.00 0.00 H new ATOM 1217 N ARG A 86 -1.740 -4.154 -4.332 1.00 0.00 N ATOM 1218 CA ARG A 86 -0.845 -5.236 -3.940 1.00 0.00 C ATOM 1219 C ARG A 86 0.565 -4.710 -3.690 1.00 0.00 C ATOM 1220 O ARG A 86 0.920 -3.623 -4.147 1.00 0.00 O ATOM 1221 CB ARG A 86 -0.815 -6.317 -5.023 1.00 0.00 C ATOM 1222 CG ARG A 86 -2.164 -6.981 -5.257 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.226 -8.364 -4.627 1.00 0.00 C ATOM 1224 NE ARG A 86 -2.573 -9.394 -5.604 1.00 0.00 N ATOM 1225 CZ ARG A 86 -2.478 -10.701 -5.370 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -2.045 -11.141 -4.195 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -2.816 -11.570 -6.312 1.00 0.00 N ATOM 0 H ARG A 86 -1.932 -4.107 -5.333 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.221 -5.670 -3.014 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.470 -5.874 -5.957 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.088 -7.079 -4.744 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.954 -6.356 -4.842 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.350 -7.060 -6.328 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.262 -8.601 -4.177 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.962 -8.364 -3.823 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.908 -9.094 -6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.783 -10.477 -3.467 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.974 -12.143 -4.020 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.149 -11.237 -7.217 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.743 -12.571 -6.132 1.00 0.00 H new ATOM 1241 N PRO A 87 1.392 -5.475 -2.958 1.00 0.00 N ATOM 1242 CA PRO A 87 2.770 -5.077 -2.650 1.00 0.00 C ATOM 1243 C PRO A 87 3.550 -4.686 -3.900 1.00 0.00 C ATOM 1244 O PRO A 87 4.419 -3.816 -3.856 1.00 0.00 O ATOM 1245 CB PRO A 87 3.371 -6.333 -2.014 1.00 0.00 C ATOM 1246 CG PRO A 87 2.204 -7.069 -1.452 1.00 0.00 C ATOM 1247 CD PRO A 87 1.051 -6.787 -2.375 1.00 0.00 C ATOM 0 HA PRO A 87 2.807 -4.199 -2.004 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.901 -6.935 -2.752 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.090 -6.077 -1.236 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.407 -8.139 -1.397 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.983 -6.734 -0.438 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.954 -7.555 -3.143 1.00 0.00 H new ATOM 0 HD3 PRO A 87 0.104 -6.753 -1.836 1.00 0.00 H new ATOM 1255 N SER A 88 3.231 -5.334 -5.013 1.00 0.00 N ATOM 1256 CA SER A 88 3.899 -5.057 -6.279 1.00 0.00 C ATOM 1257 C SER A 88 3.602 -3.637 -6.752 1.00 0.00 C ATOM 1258 O SER A 88 4.414 -3.020 -7.441 1.00 0.00 O ATOM 1259 CB SER A 88 3.460 -6.064 -7.344 1.00 0.00 C ATOM 1260 OG SER A 88 2.086 -5.910 -7.656 1.00 0.00 O ATOM 0 H SER A 88 2.513 -6.056 -5.065 1.00 0.00 H new ATOM 0 HA SER A 88 4.973 -5.151 -6.122 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.058 -5.929 -8.245 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.644 -7.078 -6.988 1.00 0.00 H new ATOM 0 HG SER A 88 1.831 -6.564 -8.340 1.00 0.00 H new ATOM 1266 N ARG A 89 2.434 -3.124 -6.377 1.00 0.00 N ATOM 1267 CA ARG A 89 2.032 -1.777 -6.764 1.00 0.00 C ATOM 1268 C ARG A 89 2.349 -0.768 -5.662 1.00 0.00 C ATOM 1269 O ARG A 89 1.755 0.308 -5.605 1.00 0.00 O ATOM 1270 CB ARG A 89 0.537 -1.743 -7.086 1.00 0.00 C ATOM 1271 CG ARG A 89 0.188 -2.392 -8.415 1.00 0.00 C ATOM 1272 CD ARG A 89 0.391 -1.433 -9.578 1.00 0.00 C ATOM 1273 NE ARG A 89 -0.843 -1.216 -10.330 1.00 0.00 N ATOM 1274 CZ ARG A 89 -0.881 -0.732 -11.569 1.00 0.00 C ATOM 1275 NH1 ARG A 89 0.243 -0.413 -12.199 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -2.046 -0.566 -12.181 1.00 0.00 N ATOM 0 H ARG A 89 1.750 -3.621 -5.806 1.00 0.00 H new ATOM 0 HA ARG A 89 2.598 -1.501 -7.654 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.010 -2.248 -6.290 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.199 -0.707 -7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.806 -3.278 -8.561 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.849 -2.727 -8.396 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.758 -0.479 -9.201 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.157 -1.829 -10.245 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.727 -1.449 -9.879 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.142 -0.538 -11.733 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.208 -0.042 -13.149 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.913 -0.809 -11.702 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.075 -0.195 -13.131 1.00 0.00 H new ATOM 1290 N VAL A 90 3.288 -1.121 -4.787 1.00 0.00 N ATOM 1291 CA VAL A 90 3.679 -0.243 -3.691 1.00 0.00 C ATOM 1292 C VAL A 90 5.194 -0.075 -3.639 1.00 0.00 C ATOM 1293 O VAL A 90 5.939 -0.929 -4.119 1.00 0.00 O ATOM 1294 CB VAL A 90 3.186 -0.780 -2.333 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.452 0.233 -1.230 1.00 0.00 C ATOM 1296 CG2 VAL A 90 1.707 -1.132 -2.397 1.00 0.00 C ATOM 0 H VAL A 90 3.791 -2.008 -4.817 1.00 0.00 H new ATOM 0 HA VAL A 90 3.213 0.724 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 90 3.740 -1.690 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.097 -0.163 -0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.522 0.428 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.927 1.162 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.380 -1.509 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.132 -0.242 -2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.548 -1.898 -3.156 1.00 0.00 H new ATOM 1306 N ARG A 91 5.644 1.029 -3.053 1.00 0.00 N ATOM 1307 CA ARG A 91 7.071 1.307 -2.940 1.00 0.00 C ATOM 1308 C ARG A 91 7.357 2.205 -1.740 1.00 0.00 C ATOM 1309 O ARG A 91 6.451 2.830 -1.190 1.00 0.00 O ATOM 1310 CB ARG A 91 7.586 1.968 -4.220 1.00 0.00 C ATOM 1311 CG ARG A 91 7.928 0.976 -5.320 1.00 0.00 C ATOM 1312 CD ARG A 91 8.397 1.683 -6.581 1.00 0.00 C ATOM 1313 NE ARG A 91 8.461 0.777 -7.725 1.00 0.00 N ATOM 1314 CZ ARG A 91 9.146 1.034 -8.836 1.00 0.00 C ATOM 1315 NH1 ARG A 91 9.828 2.166 -8.958 1.00 0.00 N ATOM 1316 NH2 ARG A 91 9.153 0.155 -9.829 1.00 0.00 N ATOM 0 H ARG A 91 5.041 1.746 -2.649 1.00 0.00 H new ATOM 0 HA ARG A 91 7.590 0.360 -2.794 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.831 2.662 -4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.473 2.557 -3.984 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.707 0.298 -4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.053 0.367 -5.547 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.720 2.506 -6.808 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.381 2.118 -6.408 1.00 0.00 H new ATOM 0 HE ARG A 91 7.951 -0.104 -7.669 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.829 2.845 -8.197 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.351 2.357 -9.813 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.633 -0.718 -9.741 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.678 0.352 -10.681 1.00 0.00 H new ATOM 1330 N ARG A 92 8.623 2.264 -1.341 1.00 0.00 N ATOM 1331 CA ARG A 92 9.029 3.086 -0.207 1.00 0.00 C ATOM 1332 C ARG A 92 8.860 4.569 -0.523 1.00 0.00 C ATOM 1333 O ARG A 92 9.021 4.992 -1.668 1.00 0.00 O ATOM 1334 CB ARG A 92 10.484 2.790 0.167 1.00 0.00 C ATOM 1335 CG ARG A 92 10.664 2.360 1.615 1.00 0.00 C ATOM 1336 CD ARG A 92 11.783 1.340 1.761 1.00 0.00 C ATOM 1337 NE ARG A 92 12.954 1.903 2.428 1.00 0.00 N ATOM 1338 CZ ARG A 92 14.169 1.362 2.376 1.00 0.00 C ATOM 1339 NH1 ARG A 92 14.377 0.245 1.688 1.00 0.00 N ATOM 1340 NH2 ARG A 92 15.180 1.939 3.011 1.00 0.00 N ATOM 0 H ARG A 92 9.385 1.753 -1.786 1.00 0.00 H new ATOM 0 HA ARG A 92 8.388 2.840 0.639 1.00 0.00 H new ATOM 0 HB2 ARG A 92 10.866 2.006 -0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.086 3.680 -0.017 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.884 3.233 2.230 1.00 0.00 H new ATOM 0 HG3 ARG A 92 9.732 1.935 1.987 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.420 0.483 2.328 1.00 0.00 H new ATOM 0 HD3 ARG A 92 12.069 0.972 0.776 1.00 0.00 H new ATOM 0 HE ARG A 92 12.834 2.762 2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 92 13.604 -0.203 1.196 1.00 0.00 H new ATOM 0 HH12 ARG A 92 15.310 -0.165 1.652 1.00 0.00 H new ATOM 0 HH21 ARG A 92 15.027 2.798 3.540 1.00 0.00 H new ATOM 0 HH22 ARG A 92 16.111 1.524 2.971 1.00 0.00 H new ATOM 1354 N ALA A 93 8.534 5.353 0.498 1.00 0.00 N ATOM 1355 CA ALA A 93 8.342 6.788 0.328 1.00 0.00 C ATOM 1356 C ALA A 93 9.029 7.570 1.443 1.00 0.00 C ATOM 1357 O ALA A 93 8.444 7.811 2.499 1.00 0.00 O ATOM 1358 CB ALA A 93 6.858 7.120 0.282 1.00 0.00 C ATOM 0 H ALA A 93 8.397 5.019 1.452 1.00 0.00 H new ATOM 0 HA ALA A 93 8.797 7.081 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 93 6.729 8.195 0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.394 6.597 -0.555 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.386 6.806 1.213 1.00 0.00 H new