USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 731 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 29 GLN : amide:sc= 0.0577 X(o=0.058,f=-0.25) USER MOD Single : A 31 SER OG : rot 100:sc= 1.19 USER MOD Single : A 32 GLN : amide:sc= -0.588 X(o=-0.59,f=-0.36) USER MOD Single : A 34 SER OG : rot 64:sc= 1.13 USER MOD Single : A 37 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0646) USER MOD Single : A 41 GLN : amide:sc= -0.0346 X(o=-0.035,f=-0.015) USER MOD Single : A 45 ASN : amide:sc= -0.729 K(o=-0.73,f=-1.5) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.18) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -1 K(o=-0.47,f=-11!) USER MOD Single : A 61 SER OG : rot 131:sc= 1.13 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.71) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 67 ASN : amide:sc=-0.00382 K(o=-0.0038,f=-0.74) USER MOD Single : A 68 ASN : amide:sc= -0.339 X(o=-0.34,f=-0.24) USER MOD Single : A 72 GLN : amide:sc= 0.107 K(o=0.11,f=-1.8) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 91:sc= 1.28 USER MOD Single : A 81 MET CE :methyl 177:sc= 0 (180deg=-0.0161) USER MOD Single : A 83 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0105) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.03 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 116:sc= 1.21 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 243 N LEU A 16 -0.929 11.121 -4.663 1.00 0.00 N ATOM 244 CA LEU A 16 0.056 10.612 -3.737 1.00 0.00 C ATOM 245 C LEU A 16 0.398 9.157 -4.082 1.00 0.00 C ATOM 246 O LEU A 16 1.548 8.747 -3.941 1.00 0.00 O ATOM 247 CB LEU A 16 -0.575 10.774 -2.347 1.00 0.00 C ATOM 248 CG LEU A 16 0.282 10.341 -1.163 1.00 0.00 C ATOM 249 CD1 LEU A 16 1.497 11.259 -1.060 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.569 10.469 0.111 1.00 0.00 C ATOM 0 HA LEU A 16 1.005 11.147 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.841 11.822 -2.212 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.504 10.204 -2.324 1.00 0.00 H new ATOM 0 HG LEU A 16 0.621 9.313 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.113 10.953 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.082 11.193 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.165 12.287 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.022 10.165 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.886 11.505 0.234 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.447 9.829 0.028 1.00 0.00 H new ATOM 262 N ALA A 17 -0.583 8.390 -4.579 1.00 0.00 N ATOM 263 CA ALA A 17 -0.379 7.036 -5.061 1.00 0.00 C ATOM 264 C ALA A 17 0.644 6.999 -6.187 1.00 0.00 C ATOM 265 O ALA A 17 1.461 6.098 -6.179 1.00 0.00 O ATOM 266 CB ALA A 17 -1.680 6.396 -5.558 1.00 0.00 C ATOM 0 H ALA A 17 -1.550 8.706 -4.654 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.010 6.465 -4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.477 5.384 -5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.402 6.359 -4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.087 6.989 -6.377 1.00 0.00 H new ATOM 272 N ALA A 18 0.627 7.934 -7.143 1.00 0.00 N ATOM 273 CA ALA A 18 1.505 7.879 -8.311 1.00 0.00 C ATOM 274 C ALA A 18 2.984 7.845 -7.901 1.00 0.00 C ATOM 275 O ALA A 18 3.754 7.003 -8.369 1.00 0.00 O ATOM 276 CB ALA A 18 1.207 9.073 -9.217 1.00 0.00 C ATOM 0 H ALA A 18 0.008 8.744 -7.127 1.00 0.00 H new ATOM 0 HA ALA A 18 1.311 6.957 -8.858 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.858 9.039 -10.090 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.166 9.035 -9.539 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.384 9.999 -8.669 1.00 0.00 H new ATOM 282 N GLU A 19 3.363 8.739 -6.986 1.00 0.00 N ATOM 283 CA GLU A 19 4.692 8.779 -6.387 1.00 0.00 C ATOM 284 C GLU A 19 4.971 7.474 -5.634 1.00 0.00 C ATOM 285 O GLU A 19 6.064 6.917 -5.729 1.00 0.00 O ATOM 286 CB GLU A 19 4.765 9.964 -5.412 1.00 0.00 C ATOM 287 CG GLU A 19 5.023 11.313 -6.091 1.00 0.00 C ATOM 288 CD GLU A 19 6.487 11.554 -6.475 1.00 0.00 C ATOM 289 OE1 GLU A 19 7.402 10.916 -5.901 1.00 0.00 O ATOM 290 OE2 GLU A 19 6.734 12.455 -7.309 1.00 0.00 O ATOM 0 H GLU A 19 2.741 9.468 -6.636 1.00 0.00 H new ATOM 0 HA GLU A 19 5.440 8.897 -7.171 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.830 10.022 -4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.557 9.776 -4.687 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.408 11.379 -6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.698 12.111 -5.423 1.00 0.00 H new ATOM 297 N ALA A 20 3.998 6.989 -4.865 1.00 0.00 N ATOM 298 CA ALA A 20 4.160 5.823 -4.015 1.00 0.00 C ATOM 299 C ALA A 20 4.140 4.496 -4.774 1.00 0.00 C ATOM 300 O ALA A 20 4.618 3.494 -4.256 1.00 0.00 O ATOM 301 CB ALA A 20 3.091 5.868 -2.930 1.00 0.00 C ATOM 0 H ALA A 20 3.067 7.403 -4.818 1.00 0.00 H new ATOM 0 HA ALA A 20 5.154 5.866 -3.570 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.196 4.999 -2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.208 6.778 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.104 5.859 -3.392 1.00 0.00 H new ATOM 307 N ILE A 21 3.600 4.470 -5.985 1.00 0.00 N ATOM 308 CA ILE A 21 3.594 3.356 -6.918 1.00 0.00 C ATOM 309 C ILE A 21 4.951 3.293 -7.594 1.00 0.00 C ATOM 310 O ILE A 21 5.431 2.215 -7.946 1.00 0.00 O ATOM 311 CB ILE A 21 2.454 3.619 -7.937 1.00 0.00 C ATOM 312 CG1 ILE A 21 1.120 3.175 -7.310 1.00 0.00 C ATOM 313 CG2 ILE A 21 2.653 2.994 -9.327 1.00 0.00 C ATOM 314 CD1 ILE A 21 -0.089 3.697 -8.086 1.00 0.00 C ATOM 0 H ILE A 21 3.121 5.286 -6.366 1.00 0.00 H new ATOM 0 HA ILE A 21 3.419 2.399 -6.426 1.00 0.00 H new ATOM 0 HB ILE A 21 2.457 4.691 -8.135 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.083 2.086 -7.274 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.069 3.530 -6.281 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.801 3.238 -9.961 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.564 3.389 -9.776 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.736 1.911 -9.231 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.005 3.357 -7.604 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.070 4.787 -8.100 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.055 3.320 -9.108 1.00 0.00 H new ATOM 326 N GLU A 22 5.578 4.452 -7.792 1.00 0.00 N ATOM 327 CA GLU A 22 6.885 4.479 -8.399 1.00 0.00 C ATOM 328 C GLU A 22 7.835 3.896 -7.338 1.00 0.00 C ATOM 329 O GLU A 22 8.709 3.083 -7.640 1.00 0.00 O ATOM 330 CB GLU A 22 7.241 5.931 -8.724 1.00 0.00 C ATOM 331 CG GLU A 22 8.592 6.019 -9.425 1.00 0.00 C ATOM 332 CD GLU A 22 8.311 6.073 -10.924 1.00 0.00 C ATOM 333 OE1 GLU A 22 7.658 5.130 -11.443 1.00 0.00 O ATOM 334 OE2 GLU A 22 8.623 7.107 -11.553 1.00 0.00 O ATOM 0 H GLU A 22 5.200 5.366 -7.541 1.00 0.00 H new ATOM 0 HA GLU A 22 6.944 3.909 -9.327 1.00 0.00 H new ATOM 0 HB2 GLU A 22 6.469 6.365 -9.359 1.00 0.00 H new ATOM 0 HB3 GLU A 22 7.265 6.518 -7.806 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.137 6.906 -9.102 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.212 5.157 -9.179 1.00 0.00 H new ATOM 341 N ARG A 23 7.633 4.290 -6.075 1.00 0.00 N ATOM 342 CA ARG A 23 8.391 3.836 -4.921 1.00 0.00 C ATOM 343 C ARG A 23 8.149 2.355 -4.652 1.00 0.00 C ATOM 344 O ARG A 23 9.113 1.645 -4.366 1.00 0.00 O ATOM 345 CB ARG A 23 7.971 4.690 -3.707 1.00 0.00 C ATOM 346 CG ARG A 23 8.929 4.658 -2.505 1.00 0.00 C ATOM 347 CD ARG A 23 10.304 5.220 -2.877 1.00 0.00 C ATOM 348 NE ARG A 23 10.937 6.051 -1.838 1.00 0.00 N ATOM 349 CZ ARG A 23 12.176 6.555 -1.931 1.00 0.00 C ATOM 350 NH1 ARG A 23 12.961 6.278 -2.968 1.00 0.00 N ATOM 351 NH2 ARG A 23 12.621 7.356 -0.976 1.00 0.00 N ATOM 0 H ARG A 23 6.906 4.961 -5.828 1.00 0.00 H new ATOM 0 HA ARG A 23 9.458 3.954 -5.111 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.862 5.724 -4.034 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.988 4.356 -3.374 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.506 5.238 -1.684 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.036 3.633 -2.149 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.969 4.389 -3.111 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.204 5.814 -3.785 1.00 0.00 H new ATOM 0 HE ARG A 23 10.399 6.256 -0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.624 5.670 -3.715 1.00 0.00 H new ATOM 0 HH12 ARG A 23 13.900 6.673 -3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.023 7.583 -0.181 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.562 7.746 -1.035 1.00 0.00 H new ATOM 365 N ASP A 24 6.907 1.883 -4.760 1.00 0.00 N ATOM 366 CA ASP A 24 6.518 0.524 -4.396 1.00 0.00 C ATOM 367 C ASP A 24 6.010 -0.311 -5.574 1.00 0.00 C ATOM 368 O ASP A 24 4.896 -0.077 -6.054 1.00 0.00 O ATOM 369 CB ASP A 24 5.439 0.553 -3.314 1.00 0.00 C ATOM 370 CG ASP A 24 5.286 -0.824 -2.662 1.00 0.00 C ATOM 371 OD1 ASP A 24 6.310 -1.488 -2.361 1.00 0.00 O ATOM 372 OD2 ASP A 24 4.139 -1.266 -2.471 1.00 0.00 O ATOM 0 H ASP A 24 6.131 2.445 -5.109 1.00 0.00 H new ATOM 0 HA ASP A 24 7.427 0.047 -4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.697 1.293 -2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 24 4.489 0.862 -3.750 1.00 0.00 H new ATOM 377 N PRO A 25 6.756 -1.328 -6.033 1.00 0.00 N ATOM 378 CA PRO A 25 6.289 -2.186 -7.109 1.00 0.00 C ATOM 379 C PRO A 25 5.048 -2.998 -6.704 1.00 0.00 C ATOM 380 O PRO A 25 4.242 -3.332 -7.572 1.00 0.00 O ATOM 381 CB PRO A 25 7.494 -3.048 -7.490 1.00 0.00 C ATOM 382 CG PRO A 25 8.346 -3.093 -6.228 1.00 0.00 C ATOM 383 CD PRO A 25 8.084 -1.729 -5.595 1.00 0.00 C ATOM 0 HA PRO A 25 5.945 -1.614 -7.970 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.186 -4.048 -7.796 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.044 -2.614 -8.325 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.050 -3.909 -5.569 1.00 0.00 H new ATOM 0 HG3 PRO A 25 9.402 -3.236 -6.458 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.134 -1.788 -4.508 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.834 -1.003 -5.910 1.00 0.00 H new ATOM 391 N TRP A 26 4.831 -3.307 -5.418 1.00 0.00 N ATOM 392 CA TRP A 26 3.589 -3.960 -5.018 1.00 0.00 C ATOM 393 C TRP A 26 2.418 -2.991 -5.179 1.00 0.00 C ATOM 394 O TRP A 26 1.389 -3.391 -5.713 1.00 0.00 O ATOM 395 CB TRP A 26 3.658 -4.543 -3.604 1.00 0.00 C ATOM 396 CG TRP A 26 2.380 -5.172 -3.146 1.00 0.00 C ATOM 397 CD1 TRP A 26 1.788 -4.942 -1.961 1.00 0.00 C ATOM 398 CD2 TRP A 26 1.523 -6.132 -3.828 1.00 0.00 C ATOM 399 NE1 TRP A 26 0.558 -5.564 -1.912 1.00 0.00 N ATOM 400 CE2 TRP A 26 0.351 -6.336 -3.041 1.00 0.00 C ATOM 401 CE3 TRP A 26 1.639 -6.886 -5.012 1.00 0.00 C ATOM 402 CZ2 TRP A 26 -0.674 -7.203 -3.455 1.00 0.00 C ATOM 403 CZ3 TRP A 26 0.667 -7.824 -5.385 1.00 0.00 C ATOM 404 CH2 TRP A 26 -0.503 -7.962 -4.626 1.00 0.00 C ATOM 0 H TRP A 26 5.485 -3.119 -4.658 1.00 0.00 H new ATOM 0 HA TRP A 26 3.431 -4.812 -5.679 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.452 -5.288 -3.567 1.00 0.00 H new ATOM 0 HB3 TRP A 26 3.932 -3.751 -2.907 1.00 0.00 H new ATOM 0 HD1 TRP A 26 2.215 -4.354 -1.162 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.109 -5.468 -1.146 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.499 -6.737 -5.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -1.584 -7.286 -2.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 0.820 -8.441 -6.258 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -1.273 -8.651 -4.940 1.00 0.00 H new ATOM 415 N ALA A 27 2.546 -1.713 -4.810 1.00 0.00 N ATOM 416 CA ALA A 27 1.493 -0.737 -5.067 1.00 0.00 C ATOM 417 C ALA A 27 1.187 -0.669 -6.559 1.00 0.00 C ATOM 418 O ALA A 27 0.016 -0.592 -6.938 1.00 0.00 O ATOM 419 CB ALA A 27 1.888 0.652 -4.577 1.00 0.00 C ATOM 0 H ALA A 27 3.366 -1.335 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 27 0.607 -1.062 -4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.081 1.354 -4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.074 0.620 -3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.792 0.976 -5.092 1.00 0.00 H new ATOM 425 N ALA A 28 2.215 -0.711 -7.409 1.00 0.00 N ATOM 426 CA ALA A 28 2.042 -0.702 -8.851 1.00 0.00 C ATOM 427 C ALA A 28 1.259 -1.927 -9.304 1.00 0.00 C ATOM 428 O ALA A 28 0.354 -1.800 -10.131 1.00 0.00 O ATOM 429 CB ALA A 28 3.405 -0.673 -9.545 1.00 0.00 C ATOM 0 H ALA A 28 3.189 -0.752 -7.110 1.00 0.00 H new ATOM 0 HA ALA A 28 1.482 0.192 -9.124 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.263 -0.666 -10.626 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.947 0.224 -9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.977 -1.556 -9.260 1.00 0.00 H new ATOM 435 N GLN A 29 1.595 -3.097 -8.760 1.00 0.00 N ATOM 436 CA GLN A 29 0.875 -4.334 -9.011 1.00 0.00 C ATOM 437 C GLN A 29 -0.580 -4.144 -8.601 1.00 0.00 C ATOM 438 O GLN A 29 -1.455 -4.292 -9.443 1.00 0.00 O ATOM 439 CB GLN A 29 1.546 -5.506 -8.277 1.00 0.00 C ATOM 440 CG GLN A 29 2.767 -6.023 -9.038 1.00 0.00 C ATOM 441 CD GLN A 29 3.626 -6.919 -8.153 1.00 0.00 C ATOM 442 OE1 GLN A 29 3.287 -8.064 -7.869 1.00 0.00 O ATOM 443 NE2 GLN A 29 4.733 -6.394 -7.664 1.00 0.00 N ATOM 0 H GLN A 29 2.386 -3.208 -8.125 1.00 0.00 H new ATOM 0 HA GLN A 29 0.902 -4.580 -10.072 1.00 0.00 H new ATOM 0 HB2 GLN A 29 1.847 -5.186 -7.279 1.00 0.00 H new ATOM 0 HB3 GLN A 29 0.827 -6.315 -8.149 1.00 0.00 H new ATOM 0 HG2 GLN A 29 2.443 -6.579 -9.918 1.00 0.00 H new ATOM 0 HG3 GLN A 29 3.361 -5.181 -9.394 1.00 0.00 H new ATOM 0 HE21 GLN A 29 4.998 -5.441 -7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 29 5.324 -6.941 -7.038 1.00 0.00 H new ATOM 452 N VAL A 30 -0.860 -3.753 -7.357 1.00 0.00 N ATOM 453 CA VAL A 30 -2.206 -3.579 -6.803 1.00 0.00 C ATOM 454 C VAL A 30 -3.047 -2.663 -7.679 1.00 0.00 C ATOM 455 O VAL A 30 -4.212 -2.949 -7.960 1.00 0.00 O ATOM 456 CB VAL A 30 -2.082 -3.037 -5.360 1.00 0.00 C ATOM 457 CG1 VAL A 30 -3.386 -2.497 -4.752 1.00 0.00 C ATOM 458 CG2 VAL A 30 -1.574 -4.168 -4.474 1.00 0.00 C ATOM 0 H VAL A 30 -0.127 -3.540 -6.680 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.719 -4.540 -6.779 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.400 -2.188 -5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.195 -2.141 -3.740 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.759 -1.674 -5.362 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.130 -3.293 -4.722 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.477 -3.811 -3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.279 -4.999 -4.504 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.602 -4.504 -4.834 1.00 0.00 H new ATOM 468 N SER A 31 -2.439 -1.575 -8.124 1.00 0.00 N ATOM 469 CA SER A 31 -3.103 -0.555 -8.905 1.00 0.00 C ATOM 470 C SER A 31 -3.467 -1.072 -10.302 1.00 0.00 C ATOM 471 O SER A 31 -4.431 -0.592 -10.907 1.00 0.00 O ATOM 472 CB SER A 31 -2.181 0.664 -8.912 1.00 0.00 C ATOM 473 OG SER A 31 -1.907 1.063 -7.576 1.00 0.00 O ATOM 0 H SER A 31 -1.454 -1.377 -7.947 1.00 0.00 H new ATOM 0 HA SER A 31 -4.061 -0.271 -8.469 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.251 0.426 -9.429 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.649 1.483 -9.458 1.00 0.00 H new ATOM 0 HG SER A 31 -1.027 0.726 -7.308 1.00 0.00 H new ATOM 479 N GLN A 32 -2.752 -2.090 -10.787 1.00 0.00 N ATOM 480 CA GLN A 32 -3.051 -2.777 -12.029 1.00 0.00 C ATOM 481 C GLN A 32 -4.064 -3.896 -11.735 1.00 0.00 C ATOM 482 O GLN A 32 -5.000 -4.086 -12.512 1.00 0.00 O ATOM 483 CB GLN A 32 -1.731 -3.280 -12.641 1.00 0.00 C ATOM 484 CG GLN A 32 -1.940 -3.994 -13.981 1.00 0.00 C ATOM 485 CD GLN A 32 -0.650 -4.443 -14.676 1.00 0.00 C ATOM 486 OE1 GLN A 32 -0.637 -5.480 -15.329 1.00 0.00 O ATOM 487 NE2 GLN A 32 0.442 -3.699 -14.592 1.00 0.00 N ATOM 0 H GLN A 32 -1.931 -2.462 -10.310 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.510 -2.118 -12.766 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.056 -2.436 -12.784 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.246 -3.961 -11.942 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -2.571 -4.867 -13.817 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.485 -3.328 -14.651 1.00 0.00 H new ATOM 0 HE21 GLN A 32 0.431 -2.836 -14.048 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.295 -3.989 -15.071 1.00 0.00 H new ATOM 496 N LEU A 33 -3.961 -4.573 -10.579 1.00 0.00 N ATOM 497 CA LEU A 33 -4.865 -5.649 -10.148 1.00 0.00 C ATOM 498 C LEU A 33 -6.293 -5.131 -9.989 1.00 0.00 C ATOM 499 O LEU A 33 -7.243 -5.912 -10.029 1.00 0.00 O ATOM 500 CB LEU A 33 -4.434 -6.281 -8.806 1.00 0.00 C ATOM 501 CG LEU A 33 -3.073 -6.995 -8.712 1.00 0.00 C ATOM 502 CD1 LEU A 33 -3.073 -8.027 -7.580 1.00 0.00 C ATOM 503 CD2 LEU A 33 -2.654 -7.651 -10.023 1.00 0.00 C ATOM 0 H LEU A 33 -3.225 -4.380 -9.900 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.818 -6.409 -10.928 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.442 -5.492 -8.054 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.202 -7.000 -8.521 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.337 -6.221 -8.492 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.101 -8.517 -7.535 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.272 -7.527 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.847 -8.772 -7.767 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.687 -8.138 -9.894 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.398 -8.393 -10.313 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.577 -6.892 -10.801 1.00 0.00 H new ATOM 515 N SER A 34 -6.435 -3.816 -9.812 1.00 0.00 N ATOM 516 CA SER A 34 -7.701 -3.097 -9.766 1.00 0.00 C ATOM 517 C SER A 34 -8.665 -3.737 -8.756 1.00 0.00 C ATOM 518 O SER A 34 -9.829 -3.999 -9.077 1.00 0.00 O ATOM 519 CB SER A 34 -8.283 -3.044 -11.188 1.00 0.00 C ATOM 520 OG SER A 34 -7.317 -2.657 -12.162 1.00 0.00 O ATOM 0 H SER A 34 -5.632 -3.199 -9.692 1.00 0.00 H new ATOM 0 HA SER A 34 -7.541 -2.077 -9.418 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.684 -4.023 -11.449 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.116 -2.342 -11.209 1.00 0.00 H new ATOM 0 HG SER A 34 -6.609 -3.333 -12.207 1.00 0.00 H new ATOM 526 N LEU A 35 -8.178 -4.064 -7.550 1.00 0.00 N ATOM 527 CA LEU A 35 -9.023 -4.692 -6.540 1.00 0.00 C ATOM 528 C LEU A 35 -10.166 -3.730 -6.181 1.00 0.00 C ATOM 529 O LEU A 35 -9.931 -2.518 -6.135 1.00 0.00 O ATOM 530 CB LEU A 35 -8.248 -5.046 -5.259 1.00 0.00 C ATOM 531 CG LEU A 35 -7.175 -6.154 -5.302 1.00 0.00 C ATOM 532 CD1 LEU A 35 -7.435 -7.257 -6.332 1.00 0.00 C ATOM 533 CD2 LEU A 35 -5.784 -5.549 -5.482 1.00 0.00 C ATOM 0 H LEU A 35 -7.214 -3.904 -7.258 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.405 -5.622 -6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.763 -4.135 -4.908 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.980 -5.329 -4.502 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.233 -6.654 -4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.630 -7.991 -6.290 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.384 -7.746 -6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.477 -6.820 -7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.041 -6.346 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.749 -4.988 -6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.567 -4.880 -4.649 1.00 0.00 H new ATOM 545 N PRO A 36 -11.372 -4.240 -5.869 1.00 0.00 N ATOM 546 CA PRO A 36 -12.536 -3.401 -5.632 1.00 0.00 C ATOM 547 C PRO A 36 -12.424 -2.586 -4.344 1.00 0.00 C ATOM 548 O PRO A 36 -12.207 -1.372 -4.414 1.00 0.00 O ATOM 549 CB PRO A 36 -13.751 -4.333 -5.655 1.00 0.00 C ATOM 550 CG PRO A 36 -13.170 -5.717 -5.372 1.00 0.00 C ATOM 551 CD PRO A 36 -11.763 -5.640 -5.952 1.00 0.00 C ATOM 0 HA PRO A 36 -12.630 -2.640 -6.407 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -14.485 -4.048 -4.901 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.257 -4.304 -6.620 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.152 -5.934 -4.304 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.757 -6.503 -5.847 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.074 -6.272 -5.391 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -11.747 -5.989 -6.984 1.00 0.00 H new ATOM 559 N LYS A 37 -12.609 -3.213 -3.169 1.00 0.00 N ATOM 560 CA LYS A 37 -12.649 -2.471 -1.909 1.00 0.00 C ATOM 561 C LYS A 37 -12.159 -3.270 -0.716 1.00 0.00 C ATOM 562 O LYS A 37 -11.230 -2.828 -0.038 1.00 0.00 O ATOM 563 CB LYS A 37 -14.084 -1.954 -1.690 1.00 0.00 C ATOM 564 CG LYS A 37 -14.215 -0.835 -0.647 1.00 0.00 C ATOM 565 CD LYS A 37 -13.348 0.391 -0.982 1.00 0.00 C ATOM 566 CE LYS A 37 -13.712 1.675 -0.220 1.00 0.00 C ATOM 567 NZ LYS A 37 -15.059 2.186 -0.550 1.00 0.00 N ATOM 0 H LYS A 37 -12.731 -4.221 -3.072 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.954 -1.635 -1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -14.473 -1.592 -2.641 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.714 -2.790 -1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.259 -0.529 -0.577 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.930 -1.221 0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.306 0.147 -0.775 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.423 0.588 -2.051 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.656 1.482 0.851 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.973 2.445 -0.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.193 3.120 -0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.155 2.271 -1.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.778 1.527 -0.189 1.00 0.00 H new ATOM 581 N LEU A 38 -12.757 -4.424 -0.429 1.00 0.00 N ATOM 582 CA LEU A 38 -12.315 -5.256 0.690 1.00 0.00 C ATOM 583 C LEU A 38 -10.962 -5.874 0.344 1.00 0.00 C ATOM 584 O LEU A 38 -10.008 -5.733 1.106 1.00 0.00 O ATOM 585 CB LEU A 38 -13.355 -6.349 0.980 1.00 0.00 C ATOM 586 CG LEU A 38 -13.324 -6.828 2.435 1.00 0.00 C ATOM 587 CD1 LEU A 38 -13.951 -5.784 3.364 1.00 0.00 C ATOM 588 CD2 LEU A 38 -14.128 -8.122 2.557 1.00 0.00 C ATOM 0 H LEU A 38 -13.546 -4.804 -0.953 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.211 -4.645 1.586 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -14.350 -5.968 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.177 -7.197 0.319 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.285 -6.988 2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -13.918 -6.145 4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.394 -4.850 3.290 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -14.987 -5.613 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.108 -8.466 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -15.159 -7.940 2.255 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.690 -8.884 1.912 1.00 0.00 H new ATOM 600 N VAL A 39 -10.858 -6.485 -0.843 1.00 0.00 N ATOM 601 CA VAL A 39 -9.610 -7.107 -1.292 1.00 0.00 C ATOM 602 C VAL A 39 -8.541 -6.027 -1.500 1.00 0.00 C ATOM 603 O VAL A 39 -7.356 -6.282 -1.288 1.00 0.00 O ATOM 604 CB VAL A 39 -9.815 -7.946 -2.579 1.00 0.00 C ATOM 605 CG1 VAL A 39 -8.623 -8.881 -2.822 1.00 0.00 C ATOM 606 CG2 VAL A 39 -11.096 -8.791 -2.542 1.00 0.00 C ATOM 0 H VAL A 39 -11.626 -6.561 -1.510 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.273 -7.796 -0.518 1.00 0.00 H new ATOM 0 HB VAL A 39 -9.902 -7.224 -3.391 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.793 -9.458 -3.731 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.714 -8.290 -2.932 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.515 -9.560 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -11.186 -9.356 -3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -11.053 -9.481 -1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -11.961 -8.137 -2.431 1.00 0.00 H new ATOM 616 N GLU A 40 -8.951 -4.807 -1.870 1.00 0.00 N ATOM 617 CA GLU A 40 -8.031 -3.686 -1.978 1.00 0.00 C ATOM 618 C GLU A 40 -7.460 -3.424 -0.583 1.00 0.00 C ATOM 619 O GLU A 40 -6.250 -3.321 -0.449 1.00 0.00 O ATOM 620 CB GLU A 40 -8.741 -2.448 -2.556 1.00 0.00 C ATOM 621 CG GLU A 40 -7.779 -1.252 -2.718 1.00 0.00 C ATOM 622 CD GLU A 40 -8.462 0.118 -2.803 1.00 0.00 C ATOM 623 OE1 GLU A 40 -9.580 0.286 -2.262 1.00 0.00 O ATOM 624 OE2 GLU A 40 -7.840 1.082 -3.311 1.00 0.00 O ATOM 0 H GLU A 40 -9.919 -4.579 -2.099 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.218 -3.917 -2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.175 -2.698 -3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.565 -2.164 -1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.086 -1.245 -1.876 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.184 -1.402 -3.619 1.00 0.00 H new ATOM 631 N GLN A 41 -8.294 -3.376 0.464 1.00 0.00 N ATOM 632 CA GLN A 41 -7.837 -3.103 1.823 1.00 0.00 C ATOM 633 C GLN A 41 -6.842 -4.152 2.315 1.00 0.00 C ATOM 634 O GLN A 41 -5.921 -3.804 3.053 1.00 0.00 O ATOM 635 CB GLN A 41 -9.021 -3.005 2.789 1.00 0.00 C ATOM 636 CG GLN A 41 -8.667 -2.172 4.028 1.00 0.00 C ATOM 637 CD GLN A 41 -9.935 -1.602 4.642 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.572 -0.732 4.049 1.00 0.00 O ATOM 639 NE2 GLN A 41 -10.369 -2.116 5.775 1.00 0.00 N ATOM 0 H GLN A 41 -9.300 -3.525 0.388 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.322 -2.143 1.797 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.873 -2.556 2.278 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.325 -4.006 3.096 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.145 -2.791 4.757 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.989 -1.364 3.753 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.825 -2.836 6.250 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.249 -1.794 6.177 1.00 0.00 H new ATOM 648 N VAL A 42 -7.028 -5.411 1.922 1.00 0.00 N ATOM 649 CA VAL A 42 -6.104 -6.499 2.200 1.00 0.00 C ATOM 650 C VAL A 42 -4.776 -6.206 1.515 1.00 0.00 C ATOM 651 O VAL A 42 -3.757 -6.101 2.195 1.00 0.00 O ATOM 652 CB VAL A 42 -6.765 -7.830 1.783 1.00 0.00 C ATOM 653 CG1 VAL A 42 -5.814 -9.009 1.532 1.00 0.00 C ATOM 654 CG2 VAL A 42 -7.758 -8.192 2.888 1.00 0.00 C ATOM 0 H VAL A 42 -7.846 -5.705 1.389 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.881 -6.590 3.263 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.231 -7.663 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.392 -9.888 1.246 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.121 -8.753 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.253 -9.224 2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.254 -9.130 2.639 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.226 -8.303 3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.503 -7.402 2.981 1.00 0.00 H new ATOM 664 N ALA A 43 -4.778 -6.022 0.194 1.00 0.00 N ATOM 665 CA ALA A 43 -3.565 -5.759 -0.563 1.00 0.00 C ATOM 666 C ALA A 43 -2.840 -4.503 -0.060 1.00 0.00 C ATOM 667 O ALA A 43 -1.613 -4.471 -0.032 1.00 0.00 O ATOM 668 CB ALA A 43 -3.933 -5.632 -2.039 1.00 0.00 C ATOM 0 H ALA A 43 -5.623 -6.052 -0.376 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.871 -6.588 -0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.034 -5.434 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.391 -6.560 -2.381 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.638 -4.811 -2.169 1.00 0.00 H new ATOM 674 N LEU A 44 -3.604 -3.491 0.357 1.00 0.00 N ATOM 675 CA LEU A 44 -3.170 -2.221 0.924 1.00 0.00 C ATOM 676 C LEU A 44 -2.513 -2.400 2.275 1.00 0.00 C ATOM 677 O LEU A 44 -1.564 -1.678 2.586 1.00 0.00 O ATOM 678 CB LEU A 44 -4.364 -1.270 1.085 1.00 0.00 C ATOM 679 CG LEU A 44 -4.714 -0.448 -0.166 1.00 0.00 C ATOM 680 CD1 LEU A 44 -5.992 0.339 0.150 1.00 0.00 C ATOM 681 CD2 LEU A 44 -3.601 0.531 -0.577 1.00 0.00 C ATOM 0 H LEU A 44 -4.621 -3.547 0.301 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.441 -1.800 0.232 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.238 -1.854 1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.154 -0.584 1.905 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.845 -1.133 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.274 0.937 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.797 -0.356 0.389 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.814 0.995 1.002 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.910 1.081 -1.466 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.415 1.232 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.689 -0.025 -0.793 1.00 0.00 H new ATOM 693 N ASN A 45 -3.014 -3.320 3.097 1.00 0.00 N ATOM 694 CA ASN A 45 -2.495 -3.504 4.443 1.00 0.00 C ATOM 695 C ASN A 45 -1.579 -4.717 4.489 1.00 0.00 C ATOM 696 O ASN A 45 -1.382 -5.285 5.562 1.00 0.00 O ATOM 697 CB ASN A 45 -3.632 -3.521 5.466 1.00 0.00 C ATOM 698 CG ASN A 45 -4.171 -2.112 5.680 1.00 0.00 C ATOM 699 OD1 ASN A 45 -3.692 -1.389 6.546 1.00 0.00 O ATOM 700 ND2 ASN A 45 -5.192 -1.711 4.941 1.00 0.00 N ATOM 0 H ASN A 45 -3.779 -3.948 2.851 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.874 -2.654 4.725 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -4.432 -4.175 5.120 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.274 -3.928 6.411 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.595 -0.785 5.087 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -5.577 -2.327 4.225 1.00 0.00 H new ATOM 707 N ALA A 46 -0.999 -5.109 3.350 1.00 0.00 N ATOM 708 CA ALA A 46 -0.011 -6.159 3.284 1.00 0.00 C ATOM 709 C ALA A 46 1.177 -5.725 2.440 1.00 0.00 C ATOM 710 O ALA A 46 1.038 -4.904 1.537 1.00 0.00 O ATOM 711 CB ALA A 46 -0.636 -7.424 2.693 1.00 0.00 C ATOM 0 H ALA A 46 -1.214 -4.693 2.444 1.00 0.00 H new ATOM 0 HA ALA A 46 0.341 -6.369 4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.115 -8.213 2.646 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.464 -7.749 3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.004 -7.213 1.689 1.00 0.00 H new ATOM 717 N TRP A 47 2.342 -6.286 2.733 1.00 0.00 N ATOM 718 CA TRP A 47 3.559 -6.104 1.952 1.00 0.00 C ATOM 719 C TRP A 47 3.752 -7.433 1.225 1.00 0.00 C ATOM 720 O TRP A 47 3.373 -8.487 1.744 1.00 0.00 O ATOM 721 CB TRP A 47 4.724 -5.619 2.813 1.00 0.00 C ATOM 722 CG TRP A 47 5.185 -6.464 3.959 1.00 0.00 C ATOM 723 CD1 TRP A 47 4.735 -6.406 5.237 1.00 0.00 C ATOM 724 CD2 TRP A 47 6.264 -7.449 3.958 1.00 0.00 C ATOM 725 NE1 TRP A 47 5.533 -7.204 6.039 1.00 0.00 N ATOM 726 CE2 TRP A 47 6.507 -7.843 5.306 1.00 0.00 C ATOM 727 CE3 TRP A 47 7.066 -8.041 2.959 1.00 0.00 C ATOM 728 CZ2 TRP A 47 7.510 -8.754 5.652 1.00 0.00 C ATOM 729 CZ3 TRP A 47 8.037 -9.004 3.293 1.00 0.00 C ATOM 730 CH2 TRP A 47 8.253 -9.362 4.632 1.00 0.00 C ATOM 0 H TRP A 47 2.471 -6.896 3.541 1.00 0.00 H new ATOM 0 HA TRP A 47 3.495 -5.303 1.215 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.578 -5.466 2.153 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.452 -4.643 3.214 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.888 -5.828 5.576 1.00 0.00 H new ATOM 0 HE1 TRP A 47 5.414 -7.306 7.047 1.00 0.00 H new ATOM 0 HE3 TRP A 47 6.933 -7.752 1.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.708 -8.985 6.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 8.620 -9.471 2.513 1.00 0.00 H new ATOM 0 HH2 TRP A 47 8.994 -10.108 4.877 1.00 0.00 H new ATOM 741 N LYS A 48 4.316 -7.404 0.020 1.00 0.00 N ATOM 742 CA LYS A 48 4.415 -8.579 -0.829 1.00 0.00 C ATOM 743 C LYS A 48 5.776 -9.244 -0.873 1.00 0.00 C ATOM 744 O LYS A 48 6.641 -8.850 -1.659 1.00 0.00 O ATOM 745 CB LYS A 48 3.919 -8.161 -2.223 1.00 0.00 C ATOM 746 CG LYS A 48 3.875 -9.299 -3.246 1.00 0.00 C ATOM 747 CD LYS A 48 4.243 -8.875 -4.680 1.00 0.00 C ATOM 748 CE LYS A 48 5.588 -9.434 -5.159 1.00 0.00 C ATOM 749 NZ LYS A 48 6.748 -8.830 -4.466 1.00 0.00 N ATOM 0 H LYS A 48 4.717 -6.561 -0.392 1.00 0.00 H new ATOM 0 HA LYS A 48 3.794 -9.365 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.920 -7.736 -2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.566 -7.371 -2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.557 -10.087 -2.926 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.873 -9.728 -3.252 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.458 -9.206 -5.360 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.272 -7.787 -4.732 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.602 -10.513 -5.005 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.684 -9.264 -6.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.625 -9.272 -4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.776 -7.809 -4.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.659 -8.985 -3.441 1.00 0.00 H new ATOM 763 N GLU A 49 5.943 -10.281 -0.062 1.00 0.00 N ATOM 764 CA GLU A 49 7.134 -11.104 -0.108 1.00 0.00 C ATOM 765 C GLU A 49 6.944 -11.931 -1.386 1.00 0.00 C ATOM 766 O GLU A 49 5.819 -12.309 -1.738 1.00 0.00 O ATOM 767 CB GLU A 49 7.193 -11.983 1.147 1.00 0.00 C ATOM 768 CG GLU A 49 8.284 -13.061 1.128 1.00 0.00 C ATOM 769 CD GLU A 49 8.258 -13.879 2.420 1.00 0.00 C ATOM 770 OE1 GLU A 49 7.218 -14.510 2.740 1.00 0.00 O ATOM 771 OE2 GLU A 49 9.253 -13.891 3.170 1.00 0.00 O ATOM 0 H GLU A 49 5.260 -10.570 0.639 1.00 0.00 H new ATOM 0 HA GLU A 49 8.069 -10.544 -0.126 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.350 -11.342 2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.226 -12.468 1.280 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.137 -13.719 0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.261 -12.594 1.007 1.00 0.00 H new ATOM 778 N GLU A 50 8.021 -12.214 -2.100 1.00 0.00 N ATOM 779 CA GLU A 50 8.002 -13.023 -3.303 1.00 0.00 C ATOM 780 C GLU A 50 9.132 -14.024 -3.164 1.00 0.00 C ATOM 781 O GLU A 50 10.253 -13.653 -2.818 1.00 0.00 O ATOM 782 CB GLU A 50 8.041 -12.112 -4.540 1.00 0.00 C ATOM 783 CG GLU A 50 8.738 -12.671 -5.790 1.00 0.00 C ATOM 784 CD GLU A 50 10.229 -12.313 -5.837 1.00 0.00 C ATOM 785 OE1 GLU A 50 10.542 -11.097 -5.791 1.00 0.00 O ATOM 786 OE2 GLU A 50 11.091 -13.204 -5.997 1.00 0.00 O ATOM 0 H GLU A 50 8.952 -11.879 -1.852 1.00 0.00 H new ATOM 0 HA GLU A 50 7.085 -13.597 -3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 50 7.015 -11.858 -4.808 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.537 -11.182 -4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.627 -13.755 -5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.246 -12.283 -6.682 1.00 0.00 H new ATOM 793 N SER A 51 8.781 -15.290 -3.349 1.00 0.00 N ATOM 794 CA SER A 51 9.663 -16.429 -3.393 1.00 0.00 C ATOM 795 C SER A 51 9.891 -16.750 -4.866 1.00 0.00 C ATOM 796 O SER A 51 9.190 -16.239 -5.739 1.00 0.00 O ATOM 797 CB SER A 51 8.978 -17.582 -2.644 1.00 0.00 C ATOM 798 OG SER A 51 9.603 -17.792 -1.392 1.00 0.00 O ATOM 0 H SER A 51 7.805 -15.557 -3.480 1.00 0.00 H new ATOM 0 HA SER A 51 10.627 -16.248 -2.918 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.922 -17.354 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.027 -18.493 -3.241 1.00 0.00 H new ATOM 0 HG SER A 51 9.157 -18.528 -0.923 1.00 0.00 H new ATOM 804 N ASP A 52 10.808 -17.677 -5.135 1.00 0.00 N ATOM 805 CA ASP A 52 11.259 -18.022 -6.480 1.00 0.00 C ATOM 806 C ASP A 52 10.130 -18.281 -7.479 1.00 0.00 C ATOM 807 O ASP A 52 10.274 -18.006 -8.675 1.00 0.00 O ATOM 808 CB ASP A 52 12.171 -19.245 -6.416 1.00 0.00 C ATOM 809 CG ASP A 52 13.150 -19.180 -7.574 1.00 0.00 C ATOM 810 OD1 ASP A 52 14.186 -18.488 -7.426 1.00 0.00 O ATOM 811 OD2 ASP A 52 12.867 -19.784 -8.633 1.00 0.00 O ATOM 0 H ASP A 52 11.269 -18.222 -4.406 1.00 0.00 H new ATOM 0 HA ASP A 52 11.795 -17.148 -6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 52 12.708 -19.267 -5.468 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.581 -20.160 -6.470 1.00 0.00 H new ATOM 816 N ASN A 53 8.995 -18.788 -6.996 1.00 0.00 N ATOM 817 CA ASN A 53 7.801 -19.054 -7.771 1.00 0.00 C ATOM 818 C ASN A 53 6.486 -18.595 -7.128 1.00 0.00 C ATOM 819 O ASN A 53 5.471 -18.644 -7.822 1.00 0.00 O ATOM 820 CB ASN A 53 7.728 -20.568 -8.008 1.00 0.00 C ATOM 821 CG ASN A 53 7.233 -21.355 -6.793 1.00 0.00 C ATOM 822 OD1 ASN A 53 7.534 -21.019 -5.647 1.00 0.00 O ATOM 823 ND2 ASN A 53 6.457 -22.401 -7.005 1.00 0.00 N ATOM 0 H ASN A 53 8.887 -19.032 -6.011 1.00 0.00 H new ATOM 0 HA ASN A 53 7.893 -18.475 -8.690 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.066 -20.764 -8.852 1.00 0.00 H new ATOM 0 HB3 ASN A 53 8.717 -20.932 -8.288 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.100 -22.940 -6.216 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.214 -22.671 -7.958 1.00 0.00 H new ATOM 830 N ALA A 54 6.454 -18.107 -5.882 1.00 0.00 N ATOM 831 CA ALA A 54 5.207 -17.796 -5.171 1.00 0.00 C ATOM 832 C ALA A 54 5.217 -16.395 -4.560 1.00 0.00 C ATOM 833 O ALA A 54 6.247 -15.726 -4.567 1.00 0.00 O ATOM 834 CB ALA A 54 5.043 -18.852 -4.072 1.00 0.00 C ATOM 0 H ALA A 54 7.294 -17.916 -5.337 1.00 0.00 H new ATOM 0 HA ALA A 54 4.375 -17.814 -5.874 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.126 -18.659 -3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.992 -19.843 -4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.895 -18.806 -3.393 1.00 0.00 H new ATOM 840 N VAL A 55 4.078 -15.955 -4.018 1.00 0.00 N ATOM 841 CA VAL A 55 3.896 -14.603 -3.500 1.00 0.00 C ATOM 842 C VAL A 55 3.139 -14.692 -2.169 1.00 0.00 C ATOM 843 O VAL A 55 2.032 -15.218 -2.097 1.00 0.00 O ATOM 844 CB VAL A 55 3.201 -13.732 -4.572 1.00 0.00 C ATOM 845 CG1 VAL A 55 2.935 -12.315 -4.075 1.00 0.00 C ATOM 846 CG2 VAL A 55 4.075 -13.578 -5.835 1.00 0.00 C ATOM 0 H VAL A 55 3.247 -16.539 -3.927 1.00 0.00 H new ATOM 0 HA VAL A 55 4.847 -14.113 -3.290 1.00 0.00 H new ATOM 0 HB VAL A 55 2.268 -14.249 -4.795 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.446 -11.740 -4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.290 -12.352 -3.197 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.879 -11.839 -3.811 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.553 -12.960 -6.565 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.020 -13.105 -5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.270 -14.561 -6.265 1.00 0.00 H new ATOM 856 N CYS A 56 3.738 -14.187 -1.099 1.00 0.00 N ATOM 857 CA CYS A 56 3.192 -14.216 0.254 1.00 0.00 C ATOM 858 C CYS A 56 2.877 -12.778 0.676 1.00 0.00 C ATOM 859 O CYS A 56 3.789 -11.971 0.845 1.00 0.00 O ATOM 860 CB CYS A 56 4.187 -14.877 1.224 1.00 0.00 C ATOM 861 SG CYS A 56 4.903 -16.408 0.554 1.00 0.00 S ATOM 0 H CYS A 56 4.649 -13.730 -1.149 1.00 0.00 H new ATOM 0 HA CYS A 56 2.278 -14.810 0.278 1.00 0.00 H new ATOM 0 HB2 CYS A 56 4.989 -14.174 1.451 1.00 0.00 H new ATOM 0 HB3 CYS A 56 3.681 -15.098 2.164 1.00 0.00 H new ATOM 0 HG CYS A 56 5.733 -16.913 1.418 1.00 0.00 H new ATOM 867 N LEU A 57 1.603 -12.420 0.835 1.00 0.00 N ATOM 868 CA LEU A 57 1.207 -11.095 1.302 1.00 0.00 C ATOM 869 C LEU A 57 1.204 -11.063 2.819 1.00 0.00 C ATOM 870 O LEU A 57 0.314 -11.608 3.465 1.00 0.00 O ATOM 871 CB LEU A 57 -0.141 -10.663 0.705 1.00 0.00 C ATOM 872 CG LEU A 57 0.076 -10.080 -0.698 1.00 0.00 C ATOM 873 CD1 LEU A 57 -1.237 -9.862 -1.432 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.746 -8.708 -0.685 1.00 0.00 C ATOM 0 H LEU A 57 0.818 -13.042 0.643 1.00 0.00 H new ATOM 0 HA LEU A 57 1.938 -10.367 0.952 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.817 -11.517 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.613 -9.921 1.348 1.00 0.00 H new ATOM 0 HG LEU A 57 0.709 -10.819 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.037 -9.448 -2.420 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.758 -10.814 -1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.859 -9.167 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.870 -8.354 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.125 -8.005 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.723 -8.785 -0.207 1.00 0.00 H new ATOM 886 N HIS A 58 2.233 -10.439 3.379 1.00 0.00 N ATOM 887 CA HIS A 58 2.413 -10.202 4.802 1.00 0.00 C ATOM 888 C HIS A 58 1.456 -9.111 5.252 1.00 0.00 C ATOM 889 O HIS A 58 1.761 -7.927 5.111 1.00 0.00 O ATOM 890 CB HIS A 58 3.860 -9.783 5.042 1.00 0.00 C ATOM 891 CG HIS A 58 4.854 -10.905 5.009 1.00 0.00 C ATOM 892 ND1 HIS A 58 5.752 -11.199 6.013 1.00 0.00 N ATOM 893 CD2 HIS A 58 5.087 -11.749 3.963 1.00 0.00 C ATOM 894 CE1 HIS A 58 6.511 -12.220 5.580 1.00 0.00 C ATOM 895 NE2 HIS A 58 6.112 -12.581 4.350 1.00 0.00 N ATOM 0 H HIS A 58 3.002 -10.066 2.823 1.00 0.00 H new ATOM 0 HA HIS A 58 2.201 -11.105 5.374 1.00 0.00 H new ATOM 0 HB2 HIS A 58 4.140 -9.046 4.289 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.924 -9.288 6.011 1.00 0.00 H new ATOM 0 HD2 HIS A 58 4.568 -11.762 3.016 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.316 -12.679 6.135 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.503 -13.343 3.796 1.00 0.00 H new ATOM 904 N LEU A 59 0.276 -9.504 5.715 1.00 0.00 N ATOM 905 CA LEU A 59 -0.816 -8.628 6.089 1.00 0.00 C ATOM 906 C LEU A 59 -0.683 -8.223 7.549 1.00 0.00 C ATOM 907 O LEU A 59 -0.642 -9.080 8.432 1.00 0.00 O ATOM 908 CB LEU A 59 -2.131 -9.378 5.862 1.00 0.00 C ATOM 909 CG LEU A 59 -3.381 -8.525 6.161 1.00 0.00 C ATOM 910 CD1 LEU A 59 -4.166 -8.195 4.894 1.00 0.00 C ATOM 911 CD2 LEU A 59 -4.309 -9.332 7.057 1.00 0.00 C ATOM 0 H LEU A 59 0.048 -10.490 5.844 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.796 -7.722 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.172 -9.720 4.828 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.147 -10.267 6.492 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.046 -7.598 6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.037 -7.593 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.530 -7.637 4.207 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.492 -9.119 4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.200 -8.745 7.280 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.598 -10.251 6.548 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.795 -9.578 7.986 1.00 0.00 H new ATOM 923 N ARG A 60 -0.692 -6.916 7.800 1.00 0.00 N ATOM 924 CA ARG A 60 -0.682 -6.329 9.133 1.00 0.00 C ATOM 925 C ARG A 60 -1.791 -6.958 9.963 1.00 0.00 C ATOM 926 O ARG A 60 -2.952 -6.963 9.546 1.00 0.00 O ATOM 927 CB ARG A 60 -0.841 -4.803 9.034 1.00 0.00 C ATOM 928 CG ARG A 60 0.295 -4.125 8.250 1.00 0.00 C ATOM 929 CD ARG A 60 1.634 -4.174 9.000 1.00 0.00 C ATOM 930 NE ARG A 60 2.692 -3.470 8.256 1.00 0.00 N ATOM 931 CZ ARG A 60 2.923 -2.150 8.263 1.00 0.00 C ATOM 932 NH1 ARG A 60 2.110 -1.318 8.906 1.00 0.00 N ATOM 933 NH2 ARG A 60 3.985 -1.674 7.620 1.00 0.00 N ATOM 0 H ARG A 60 -0.707 -6.217 7.057 1.00 0.00 H new ATOM 0 HA ARG A 60 0.270 -6.529 9.625 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.792 -4.574 8.554 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.882 -4.382 10.039 1.00 0.00 H new ATOM 0 HG2 ARG A 60 0.406 -4.613 7.282 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.029 -3.086 8.055 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.518 -3.722 9.985 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.927 -5.212 9.158 1.00 0.00 H new ATOM 0 HE ARG A 60 3.309 -4.043 7.680 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.297 -1.682 9.403 1.00 0.00 H new ATOM 0 HH12 ARG A 60 2.299 -0.316 8.902 1.00 0.00 H new ATOM 0 HH21 ARG A 60 4.612 -2.311 7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.173 -0.671 7.617 1.00 0.00 H new ATOM 947 N SER A 61 -1.449 -7.452 11.149 1.00 0.00 N ATOM 948 CA SER A 61 -2.387 -8.068 12.072 1.00 0.00 C ATOM 949 C SER A 61 -3.527 -7.110 12.425 1.00 0.00 C ATOM 950 O SER A 61 -4.654 -7.567 12.620 1.00 0.00 O ATOM 951 CB SER A 61 -1.624 -8.549 13.306 1.00 0.00 C ATOM 952 OG SER A 61 -2.436 -9.279 14.203 1.00 0.00 O ATOM 0 H SER A 61 -0.491 -7.433 11.499 1.00 0.00 H new ATOM 0 HA SER A 61 -2.856 -8.931 11.599 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.788 -9.173 12.990 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.201 -7.688 13.824 1.00 0.00 H new ATOM 0 HG SER A 61 -1.988 -10.117 14.442 1.00 0.00 H new ATOM 958 N SER A 62 -3.302 -5.793 12.394 1.00 0.00 N ATOM 959 CA SER A 62 -4.345 -4.808 12.653 1.00 0.00 C ATOM 960 C SER A 62 -5.483 -4.926 11.639 1.00 0.00 C ATOM 961 O SER A 62 -6.623 -4.606 11.968 1.00 0.00 O ATOM 962 CB SER A 62 -3.730 -3.406 12.658 1.00 0.00 C ATOM 963 OG SER A 62 -2.846 -3.324 13.759 1.00 0.00 O ATOM 0 H SER A 62 -2.390 -5.384 12.188 1.00 0.00 H new ATOM 0 HA SER A 62 -4.781 -4.999 13.633 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.197 -3.220 11.726 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.509 -2.648 12.737 1.00 0.00 H new ATOM 0 HG SER A 62 -2.436 -2.434 13.784 1.00 0.00 H new ATOM 969 N GLN A 63 -5.210 -5.453 10.440 1.00 0.00 N ATOM 970 CA GLN A 63 -6.223 -5.730 9.427 1.00 0.00 C ATOM 971 C GLN A 63 -6.454 -7.224 9.216 1.00 0.00 C ATOM 972 O GLN A 63 -7.194 -7.585 8.302 1.00 0.00 O ATOM 973 CB GLN A 63 -5.903 -5.030 8.098 1.00 0.00 C ATOM 974 CG GLN A 63 -5.694 -3.515 8.190 1.00 0.00 C ATOM 975 CD GLN A 63 -6.573 -2.785 9.198 1.00 0.00 C ATOM 976 OE1 GLN A 63 -7.799 -2.873 9.157 1.00 0.00 O ATOM 977 NE2 GLN A 63 -5.958 -2.048 10.106 1.00 0.00 N ATOM 0 H GLN A 63 -4.265 -5.701 10.147 1.00 0.00 H new ATOM 0 HA GLN A 63 -7.156 -5.316 9.811 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -5.004 -5.479 7.677 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.715 -5.226 7.398 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.651 -3.326 8.442 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -5.868 -3.083 7.205 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.939 -1.995 10.115 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -6.502 -1.533 10.798 1.00 0.00 H new ATOM 986 N ARG A 64 -5.917 -8.126 10.048 1.00 0.00 N ATOM 987 CA ARG A 64 -6.233 -9.552 9.908 1.00 0.00 C ATOM 988 C ARG A 64 -7.733 -9.807 10.049 1.00 0.00 C ATOM 989 O ARG A 64 -8.224 -10.781 9.484 1.00 0.00 O ATOM 990 CB ARG A 64 -5.337 -10.409 10.808 1.00 0.00 C ATOM 991 CG ARG A 64 -5.481 -11.914 10.532 1.00 0.00 C ATOM 992 CD ARG A 64 -6.482 -12.577 11.483 1.00 0.00 C ATOM 993 NE ARG A 64 -6.966 -13.862 10.963 1.00 0.00 N ATOM 994 CZ ARG A 64 -8.046 -14.513 11.409 1.00 0.00 C ATOM 995 NH1 ARG A 64 -8.751 -14.038 12.432 1.00 0.00 N ATOM 996 NH2 ARG A 64 -8.415 -15.644 10.824 1.00 0.00 N ATOM 0 H ARG A 64 -5.276 -7.901 10.809 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.996 -9.873 8.894 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.297 -10.116 10.663 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -5.582 -10.211 11.851 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -5.805 -12.065 9.502 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -4.509 -12.396 10.635 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.011 -12.733 12.454 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.328 -11.909 11.643 1.00 0.00 H new ATOM 0 HE ARG A 64 -6.438 -14.291 10.203 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.470 -13.169 12.885 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.573 -14.543 12.763 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -7.876 -16.012 10.040 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.237 -16.146 11.158 1.00 0.00 H new ATOM 1010 N HIS A 65 -8.486 -8.919 10.704 1.00 0.00 N ATOM 1011 CA HIS A 65 -9.940 -9.029 10.753 1.00 0.00 C ATOM 1012 C HIS A 65 -10.544 -8.998 9.333 1.00 0.00 C ATOM 1013 O HIS A 65 -11.572 -9.633 9.104 1.00 0.00 O ATOM 1014 CB HIS A 65 -10.518 -7.922 11.643 1.00 0.00 C ATOM 1015 CG HIS A 65 -11.923 -8.218 12.105 1.00 0.00 C ATOM 1016 ND1 HIS A 65 -13.064 -8.207 11.325 1.00 0.00 N ATOM 1017 CD2 HIS A 65 -12.281 -8.579 13.373 1.00 0.00 C ATOM 1018 CE1 HIS A 65 -14.099 -8.540 12.118 1.00 0.00 C ATOM 1019 NE2 HIS A 65 -13.649 -8.764 13.368 1.00 0.00 N ATOM 0 H HIS A 65 -8.109 -8.116 11.207 1.00 0.00 H new ATOM 0 HA HIS A 65 -10.208 -9.990 11.192 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -9.875 -7.788 12.513 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -10.512 -6.980 11.094 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -11.620 -8.697 14.219 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -15.129 -8.616 11.802 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -14.220 -9.025 14.172 1.00 0.00 H new ATOM 1028 N LEU A 66 -9.924 -8.289 8.376 1.00 0.00 N ATOM 1029 CA LEU A 66 -10.366 -8.247 6.979 1.00 0.00 C ATOM 1030 C LEU A 66 -10.050 -9.568 6.281 1.00 0.00 C ATOM 1031 O LEU A 66 -10.860 -10.009 5.468 1.00 0.00 O ATOM 1032 CB LEU A 66 -9.674 -7.124 6.160 1.00 0.00 C ATOM 1033 CG LEU A 66 -10.153 -5.668 6.332 1.00 0.00 C ATOM 1034 CD1 LEU A 66 -11.590 -5.499 5.844 1.00 0.00 C ATOM 1035 CD2 LEU A 66 -10.016 -5.158 7.768 1.00 0.00 C ATOM 0 H LEU A 66 -9.094 -7.724 8.556 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.438 -8.055 7.014 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -8.611 -7.151 6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.771 -7.379 5.105 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.494 -5.059 5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -11.900 -4.463 5.978 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.649 -5.762 4.788 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.248 -6.152 6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.369 -4.128 7.824 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -10.611 -5.782 8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.970 -5.199 8.071 1.00 0.00 H new ATOM 1047 N ASN A 67 -8.886 -10.168 6.564 1.00 0.00 N ATOM 1048 CA ASN A 67 -8.336 -11.359 5.913 1.00 0.00 C ATOM 1049 C ASN A 67 -9.344 -12.494 5.799 1.00 0.00 C ATOM 1050 O ASN A 67 -9.656 -13.148 6.796 1.00 0.00 O ATOM 1051 CB ASN A 67 -7.090 -11.871 6.655 1.00 0.00 C ATOM 1052 CG ASN A 67 -6.425 -13.051 5.950 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -6.592 -13.252 4.749 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.669 -13.868 6.662 1.00 0.00 N ATOM 0 H ASN A 67 -8.270 -9.813 7.295 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.067 -11.045 4.905 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.370 -11.058 6.751 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.371 -12.169 7.665 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.222 -14.668 6.215 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.533 -13.698 7.658 1.00 0.00 H new ATOM 1061 N ASN A 68 -9.857 -12.717 4.592 1.00 0.00 N ATOM 1062 CA ASN A 68 -10.732 -13.845 4.291 1.00 0.00 C ATOM 1063 C ASN A 68 -10.241 -14.545 3.031 1.00 0.00 C ATOM 1064 O ASN A 68 -9.707 -13.896 2.124 1.00 0.00 O ATOM 1065 CB ASN A 68 -12.205 -13.413 4.228 1.00 0.00 C ATOM 1066 CG ASN A 68 -12.611 -12.714 2.943 1.00 0.00 C ATOM 1067 OD1 ASN A 68 -12.443 -11.512 2.789 1.00 0.00 O ATOM 1068 ND2 ASN A 68 -13.226 -13.422 2.017 1.00 0.00 N ATOM 0 H ASN A 68 -9.675 -12.115 3.789 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.687 -14.573 5.101 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.833 -14.294 4.359 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.410 -12.748 5.067 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -13.564 -12.968 1.168 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -13.364 -14.424 2.149 1.00 0.00 H new ATOM 1075 N ARG A 69 -10.419 -15.866 2.943 1.00 0.00 N ATOM 1076 CA ARG A 69 -9.862 -16.632 1.825 1.00 0.00 C ATOM 1077 C ARG A 69 -10.539 -16.269 0.501 1.00 0.00 C ATOM 1078 O ARG A 69 -9.905 -16.289 -0.548 1.00 0.00 O ATOM 1079 CB ARG A 69 -9.901 -18.138 2.132 1.00 0.00 C ATOM 1080 CG ARG A 69 -8.628 -18.843 1.642 1.00 0.00 C ATOM 1081 CD ARG A 69 -8.678 -20.344 1.957 1.00 0.00 C ATOM 1082 NE ARG A 69 -7.480 -21.044 1.467 1.00 0.00 N ATOM 1083 CZ ARG A 69 -6.433 -21.499 2.167 1.00 0.00 C ATOM 1084 NH1 ARG A 69 -6.353 -21.337 3.480 1.00 0.00 N ATOM 1085 NH2 ARG A 69 -5.442 -22.118 1.542 1.00 0.00 N ATOM 0 H ARG A 69 -10.938 -16.422 3.623 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.813 -16.360 1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -10.012 -18.289 3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.773 -18.586 1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.517 -18.696 0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.754 -18.396 2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.768 -20.487 3.034 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.567 -20.782 1.502 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.442 -21.204 0.460 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.100 -20.856 3.981 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.544 -21.693 3.989 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.478 -22.247 0.531 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.643 -22.466 2.072 1.00 0.00 H new ATOM 1099 N GLY A 70 -11.796 -15.831 0.534 1.00 0.00 N ATOM 1100 CA GLY A 70 -12.461 -15.340 -0.662 1.00 0.00 C ATOM 1101 C GLY A 70 -11.793 -14.077 -1.214 1.00 0.00 C ATOM 1102 O GLY A 70 -11.776 -13.870 -2.429 1.00 0.00 O ATOM 0 H GLY A 70 -12.370 -15.808 1.377 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.453 -16.117 -1.426 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.506 -15.127 -0.434 1.00 0.00 H new ATOM 1106 N ALA A 71 -11.219 -13.218 -0.364 1.00 0.00 N ATOM 1107 CA ALA A 71 -10.460 -12.069 -0.841 1.00 0.00 C ATOM 1108 C ALA A 71 -9.176 -12.564 -1.504 1.00 0.00 C ATOM 1109 O ALA A 71 -8.863 -12.127 -2.612 1.00 0.00 O ATOM 1110 CB ALA A 71 -10.190 -11.085 0.299 1.00 0.00 C ATOM 0 H ALA A 71 -11.268 -13.301 0.651 1.00 0.00 H new ATOM 0 HA ALA A 71 -11.039 -11.522 -1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.622 -10.235 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -11.137 -10.734 0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -9.618 -11.583 1.082 1.00 0.00 H new ATOM 1116 N GLN A 72 -8.484 -13.523 -0.876 1.00 0.00 N ATOM 1117 CA GLN A 72 -7.310 -14.177 -1.439 1.00 0.00 C ATOM 1118 C GLN A 72 -7.597 -14.733 -2.831 1.00 0.00 C ATOM 1119 O GLN A 72 -6.725 -14.632 -3.683 1.00 0.00 O ATOM 1120 CB GLN A 72 -6.793 -15.263 -0.480 1.00 0.00 C ATOM 1121 CG GLN A 72 -5.582 -16.073 -0.984 1.00 0.00 C ATOM 1122 CD GLN A 72 -5.943 -17.210 -1.954 1.00 0.00 C ATOM 1123 OE1 GLN A 72 -7.051 -17.742 -1.964 1.00 0.00 O ATOM 1124 NE2 GLN A 72 -5.001 -17.654 -2.763 1.00 0.00 N ATOM 0 H GLN A 72 -8.733 -13.867 0.051 1.00 0.00 H new ATOM 0 HA GLN A 72 -6.522 -13.433 -1.556 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.524 -14.790 0.465 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -7.608 -15.955 -0.269 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.887 -15.395 -1.479 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.059 -16.495 -0.126 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -4.079 -17.218 -2.760 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -5.194 -18.434 -3.391 1.00 0.00 H new ATOM 1133 N GLN A 73 -8.793 -15.269 -3.081 1.00 0.00 N ATOM 1134 CA GLN A 73 -9.155 -15.843 -4.372 1.00 0.00 C ATOM 1135 C GLN A 73 -9.083 -14.763 -5.446 1.00 0.00 C ATOM 1136 O GLN A 73 -8.432 -14.958 -6.471 1.00 0.00 O ATOM 1137 CB GLN A 73 -10.560 -16.463 -4.317 1.00 0.00 C ATOM 1138 CG GLN A 73 -10.975 -17.089 -5.660 1.00 0.00 C ATOM 1139 CD GLN A 73 -12.421 -17.574 -5.618 1.00 0.00 C ATOM 1140 OE1 GLN A 73 -12.787 -18.379 -4.759 1.00 0.00 O ATOM 1141 NE2 GLN A 73 -13.261 -17.090 -6.517 1.00 0.00 N ATOM 0 H GLN A 73 -9.540 -15.316 -2.388 1.00 0.00 H new ATOM 0 HA GLN A 73 -8.451 -16.638 -4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -10.588 -17.226 -3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.282 -15.696 -4.037 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -10.857 -16.356 -6.458 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -10.315 -17.924 -5.895 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.932 -16.425 -7.217 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.238 -17.382 -6.511 1.00 0.00 H new ATOM 1150 N LYS A 74 -9.760 -13.629 -5.226 1.00 0.00 N ATOM 1151 CA LYS A 74 -9.763 -12.583 -6.250 1.00 0.00 C ATOM 1152 C LYS A 74 -8.359 -12.010 -6.412 1.00 0.00 C ATOM 1153 O LYS A 74 -7.937 -11.734 -7.533 1.00 0.00 O ATOM 1154 CB LYS A 74 -10.797 -11.476 -5.982 1.00 0.00 C ATOM 1155 CG LYS A 74 -11.248 -10.940 -7.348 1.00 0.00 C ATOM 1156 CD LYS A 74 -12.037 -9.627 -7.318 1.00 0.00 C ATOM 1157 CE LYS A 74 -12.652 -9.495 -8.717 1.00 0.00 C ATOM 1158 NZ LYS A 74 -13.317 -8.200 -8.963 1.00 0.00 N ATOM 0 H LYS A 74 -10.293 -13.418 -4.382 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.069 -13.048 -7.187 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.646 -11.869 -5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.361 -10.679 -5.380 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.365 -10.798 -7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.861 -11.700 -7.832 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -12.809 -9.649 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -11.387 -8.782 -7.092 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -11.868 -9.636 -9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -13.377 -10.297 -8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -13.707 -8.187 -9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -14.087 -8.069 -8.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.626 -7.430 -8.859 1.00 0.00 H new ATOM 1172 N LEU A 75 -7.627 -11.857 -5.302 1.00 0.00 N ATOM 1173 CA LEU A 75 -6.230 -11.442 -5.330 1.00 0.00 C ATOM 1174 C LEU A 75 -5.439 -12.413 -6.207 1.00 0.00 C ATOM 1175 O LEU A 75 -4.637 -11.966 -7.020 1.00 0.00 O ATOM 1176 CB LEU A 75 -5.647 -11.356 -3.895 1.00 0.00 C ATOM 1177 CG LEU A 75 -5.026 -9.991 -3.549 1.00 0.00 C ATOM 1178 CD1 LEU A 75 -4.787 -9.897 -2.038 1.00 0.00 C ATOM 1179 CD2 LEU A 75 -3.747 -9.629 -4.306 1.00 0.00 C ATOM 0 H LEU A 75 -7.991 -12.019 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.155 -10.443 -5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.439 -11.574 -3.179 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.888 -12.129 -3.776 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.760 -9.257 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.347 -8.929 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.736 -10.005 -1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.108 -10.691 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.398 -8.648 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.978 -10.374 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.952 -9.607 -5.376 1.00 0.00 H new ATOM 1191 N ALA A 76 -5.662 -13.724 -6.059 1.00 0.00 N ATOM 1192 CA ALA A 76 -4.909 -14.776 -6.726 1.00 0.00 C ATOM 1193 C ALA A 76 -5.163 -14.727 -8.213 1.00 0.00 C ATOM 1194 O ALA A 76 -4.203 -14.744 -8.974 1.00 0.00 O ATOM 1195 CB ALA A 76 -5.239 -16.156 -6.148 1.00 0.00 C ATOM 0 H ALA A 76 -6.396 -14.087 -5.451 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.847 -14.605 -6.550 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -4.659 -16.917 -6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.991 -16.175 -5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.302 -16.359 -6.276 1.00 0.00 H new ATOM 1201 N GLU A 77 -6.422 -14.637 -8.625 1.00 0.00 N ATOM 1202 CA GLU A 77 -6.799 -14.494 -10.019 1.00 0.00 C ATOM 1203 C GLU A 77 -6.140 -13.251 -10.618 1.00 0.00 C ATOM 1204 O GLU A 77 -5.583 -13.321 -11.715 1.00 0.00 O ATOM 1205 CB GLU A 77 -8.331 -14.419 -10.089 1.00 0.00 C ATOM 1206 CG GLU A 77 -8.846 -14.246 -11.522 1.00 0.00 C ATOM 1207 CD GLU A 77 -10.374 -14.249 -11.620 1.00 0.00 C ATOM 1208 OE1 GLU A 77 -11.074 -13.918 -10.634 1.00 0.00 O ATOM 1209 OE2 GLU A 77 -10.879 -14.575 -12.719 1.00 0.00 O ATOM 0 H GLU A 77 -7.218 -14.662 -7.988 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.456 -15.347 -10.604 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.756 -15.327 -9.661 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.679 -13.586 -9.478 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.465 -13.309 -11.927 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -8.447 -15.048 -12.143 1.00 0.00 H new ATOM 1216 N ALA A 78 -6.174 -12.126 -9.904 1.00 0.00 N ATOM 1217 CA ALA A 78 -5.652 -10.863 -10.393 1.00 0.00 C ATOM 1218 C ALA A 78 -4.130 -10.932 -10.535 1.00 0.00 C ATOM 1219 O ALA A 78 -3.607 -10.633 -11.609 1.00 0.00 O ATOM 1220 CB ALA A 78 -6.100 -9.729 -9.469 1.00 0.00 C ATOM 0 H ALA A 78 -6.568 -12.072 -8.965 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.053 -10.659 -11.386 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.707 -8.782 -9.838 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.189 -9.686 -9.447 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.724 -9.910 -8.462 1.00 0.00 H new ATOM 1226 N LEU A 79 -3.400 -11.338 -9.490 1.00 0.00 N ATOM 1227 CA LEU A 79 -1.950 -11.471 -9.535 1.00 0.00 C ATOM 1228 C LEU A 79 -1.541 -12.513 -10.566 1.00 0.00 C ATOM 1229 O LEU A 79 -0.563 -12.310 -11.268 1.00 0.00 O ATOM 1230 CB LEU A 79 -1.416 -11.847 -8.147 1.00 0.00 C ATOM 1231 CG LEU A 79 -0.205 -11.009 -7.712 1.00 0.00 C ATOM 1232 CD1 LEU A 79 -0.040 -11.257 -6.216 1.00 0.00 C ATOM 1233 CD2 LEU A 79 1.111 -11.331 -8.429 1.00 0.00 C ATOM 0 H LEU A 79 -3.806 -11.583 -8.587 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.518 -10.514 -9.830 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.214 -11.727 -7.414 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.138 -12.901 -8.146 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.407 -9.970 -7.972 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.810 -10.685 -5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.944 -10.944 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.132 -12.319 -6.040 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.901 -10.684 -8.048 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.378 -12.373 -8.250 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.992 -11.166 -9.500 1.00 0.00 H new ATOM 1245 N SER A 80 -2.304 -13.599 -10.702 1.00 0.00 N ATOM 1246 CA SER A 80 -2.064 -14.604 -11.729 1.00 0.00 C ATOM 1247 C SER A 80 -2.209 -13.988 -13.122 1.00 0.00 C ATOM 1248 O SER A 80 -1.380 -14.238 -13.997 1.00 0.00 O ATOM 1249 CB SER A 80 -3.036 -15.774 -11.540 1.00 0.00 C ATOM 1250 OG SER A 80 -2.764 -16.485 -10.347 1.00 0.00 O ATOM 0 H SER A 80 -3.104 -13.803 -10.102 1.00 0.00 H new ATOM 0 HA SER A 80 -1.045 -14.979 -11.635 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.059 -15.399 -11.516 1.00 0.00 H new ATOM 0 HB3 SER A 80 -2.964 -16.450 -12.392 1.00 0.00 H new ATOM 0 HG SER A 80 -3.291 -16.106 -9.613 1.00 0.00 H new ATOM 1256 N MET A 81 -3.238 -13.167 -13.336 1.00 0.00 N ATOM 1257 CA MET A 81 -3.497 -12.519 -14.612 1.00 0.00 C ATOM 1258 C MET A 81 -2.401 -11.495 -14.913 1.00 0.00 C ATOM 1259 O MET A 81 -1.973 -11.390 -16.059 1.00 0.00 O ATOM 1260 CB MET A 81 -4.901 -11.896 -14.579 1.00 0.00 C ATOM 1261 CG MET A 81 -5.272 -11.188 -15.884 1.00 0.00 C ATOM 1262 SD MET A 81 -7.037 -10.796 -16.052 1.00 0.00 S ATOM 1263 CE MET A 81 -7.293 -9.701 -14.626 1.00 0.00 C ATOM 0 H MET A 81 -3.921 -12.934 -12.615 1.00 0.00 H new ATOM 0 HA MET A 81 -3.475 -13.246 -15.424 1.00 0.00 H new ATOM 0 HB2 MET A 81 -5.634 -12.676 -14.374 1.00 0.00 H new ATOM 0 HB3 MET A 81 -4.957 -11.183 -13.757 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.699 -10.264 -15.957 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.971 -11.817 -16.722 1.00 0.00 H new ATOM 0 HE1 MET A 81 -8.320 -9.336 -14.627 1.00 0.00 H new ATOM 0 HE2 MET A 81 -7.105 -10.253 -13.705 1.00 0.00 H new ATOM 0 HE3 MET A 81 -6.607 -8.856 -14.689 1.00 0.00 H new ATOM 1273 N LEU A 82 -1.917 -10.779 -13.897 1.00 0.00 N ATOM 1274 CA LEU A 82 -0.799 -9.844 -14.001 1.00 0.00 C ATOM 1275 C LEU A 82 0.504 -10.587 -14.322 1.00 0.00 C ATOM 1276 O LEU A 82 1.246 -10.171 -15.209 1.00 0.00 O ATOM 1277 CB LEU A 82 -0.722 -9.019 -12.698 1.00 0.00 C ATOM 1278 CG LEU A 82 0.597 -8.237 -12.478 1.00 0.00 C ATOM 1279 CD1 LEU A 82 0.330 -6.800 -12.014 1.00 0.00 C ATOM 1280 CD2 LEU A 82 1.458 -8.931 -11.412 1.00 0.00 C ATOM 0 H LEU A 82 -2.303 -10.836 -12.955 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.956 -9.152 -14.829 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -1.550 -8.310 -12.689 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.869 -9.692 -11.854 1.00 0.00 H new ATOM 0 HG LEU A 82 1.118 -8.215 -13.435 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.278 -6.282 -11.870 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.258 -6.277 -12.768 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -0.220 -6.818 -11.073 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.381 -8.370 -11.268 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.909 -8.973 -10.471 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.696 -9.943 -11.739 1.00 0.00 H new ATOM 1292 N LYS A 83 0.794 -11.682 -13.616 1.00 0.00 N ATOM 1293 CA LYS A 83 2.058 -12.407 -13.733 1.00 0.00 C ATOM 1294 C LYS A 83 2.082 -13.363 -14.921 1.00 0.00 C ATOM 1295 O LYS A 83 3.150 -13.887 -15.234 1.00 0.00 O ATOM 1296 CB LYS A 83 2.340 -13.147 -12.412 1.00 0.00 C ATOM 1297 CG LYS A 83 3.836 -13.440 -12.188 1.00 0.00 C ATOM 1298 CD LYS A 83 4.273 -13.111 -10.752 1.00 0.00 C ATOM 1299 CE LYS A 83 5.759 -13.397 -10.502 1.00 0.00 C ATOM 1300 NZ LYS A 83 6.659 -12.533 -11.292 1.00 0.00 N ATOM 0 H LYS A 83 0.150 -12.093 -12.940 1.00 0.00 H new ATOM 0 HA LYS A 83 2.849 -11.681 -13.922 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.965 -12.549 -11.581 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.787 -14.086 -12.404 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.036 -14.491 -12.397 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.430 -12.857 -12.891 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.071 -12.060 -10.548 1.00 0.00 H new ATOM 0 HD3 LYS A 83 3.673 -13.693 -10.052 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.975 -13.263 -9.442 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.966 -14.440 -10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.647 -12.740 -11.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.514 -12.715 -12.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.451 -11.535 -11.086 1.00 0.00 H new ATOM 1314 N GLY A 84 0.952 -13.646 -15.565 1.00 0.00 N ATOM 1315 CA GLY A 84 0.890 -14.556 -16.703 1.00 0.00 C ATOM 1316 C GLY A 84 1.096 -16.017 -16.319 1.00 0.00 C ATOM 1317 O GLY A 84 1.121 -16.878 -17.199 1.00 0.00 O ATOM 0 H GLY A 84 0.049 -13.247 -15.309 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -0.078 -14.449 -17.192 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.649 -14.268 -17.431 1.00 0.00 H new ATOM 1321 N SER A 85 1.214 -16.324 -15.030 1.00 0.00 N ATOM 1322 CA SER A 85 1.314 -17.673 -14.499 1.00 0.00 C ATOM 1323 C SER A 85 0.491 -17.740 -13.220 1.00 0.00 C ATOM 1324 O SER A 85 0.254 -16.707 -12.594 1.00 0.00 O ATOM 1325 CB SER A 85 2.784 -18.002 -14.241 1.00 0.00 C ATOM 1326 OG SER A 85 3.456 -18.209 -15.470 1.00 0.00 O ATOM 0 H SER A 85 1.243 -15.610 -14.302 1.00 0.00 H new ATOM 0 HA SER A 85 0.927 -18.407 -15.205 1.00 0.00 H new ATOM 0 HB2 SER A 85 3.256 -17.188 -13.691 1.00 0.00 H new ATOM 0 HB3 SER A 85 2.862 -18.894 -13.619 1.00 0.00 H new ATOM 0 HG SER A 85 4.398 -18.418 -15.297 1.00 0.00 H new ATOM 1332 N THR A 86 0.036 -18.932 -12.840 1.00 0.00 N ATOM 1333 CA THR A 86 -0.769 -19.114 -11.645 1.00 0.00 C ATOM 1334 C THR A 86 0.178 -19.026 -10.442 1.00 0.00 C ATOM 1335 O THR A 86 1.110 -19.825 -10.336 1.00 0.00 O ATOM 1336 CB THR A 86 -1.545 -20.446 -11.708 1.00 0.00 C ATOM 1337 OG1 THR A 86 -1.651 -20.956 -13.036 1.00 0.00 O ATOM 1338 CG2 THR A 86 -2.961 -20.277 -11.152 1.00 0.00 C ATOM 0 H THR A 86 0.217 -19.794 -13.354 1.00 0.00 H new ATOM 0 HA THR A 86 -1.530 -18.339 -11.555 1.00 0.00 H new ATOM 0 HB THR A 86 -0.976 -21.153 -11.104 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.148 -21.800 -13.023 1.00 0.00 H new ATOM 0 HG21 THR A 86 -3.489 -21.229 -11.207 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.908 -19.951 -10.113 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.496 -19.531 -11.740 1.00 0.00 H new ATOM 1346 N VAL A 87 -0.004 -18.028 -9.581 1.00 0.00 N ATOM 1347 CA VAL A 87 0.873 -17.726 -8.450 1.00 0.00 C ATOM 1348 C VAL A 87 0.313 -18.405 -7.198 1.00 0.00 C ATOM 1349 O VAL A 87 -0.907 -18.425 -7.005 1.00 0.00 O ATOM 1350 CB VAL A 87 0.912 -16.190 -8.290 1.00 0.00 C ATOM 1351 CG1 VAL A 87 1.808 -15.755 -7.131 1.00 0.00 C ATOM 1352 CG2 VAL A 87 1.425 -15.489 -9.559 1.00 0.00 C ATOM 0 H VAL A 87 -0.792 -17.385 -9.653 1.00 0.00 H new ATOM 0 HA VAL A 87 1.886 -18.097 -8.610 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.119 -15.897 -8.094 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.805 -14.668 -7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.434 -16.183 -6.201 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.826 -16.103 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.435 -14.411 -9.400 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.435 -15.833 -9.781 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.769 -15.726 -10.396 1.00 0.00 H new ATOM 1362 N GLU A 88 1.177 -18.923 -6.316 1.00 0.00 N ATOM 1363 CA GLU A 88 0.732 -19.457 -5.041 1.00 0.00 C ATOM 1364 C GLU A 88 0.697 -18.219 -4.162 1.00 0.00 C ATOM 1365 O GLU A 88 1.691 -17.852 -3.530 1.00 0.00 O ATOM 1366 CB GLU A 88 1.668 -20.544 -4.483 1.00 0.00 C ATOM 1367 CG GLU A 88 1.359 -21.942 -5.040 1.00 0.00 C ATOM 1368 CD GLU A 88 1.602 -23.025 -3.992 1.00 0.00 C ATOM 1369 OE1 GLU A 88 0.698 -23.276 -3.159 1.00 0.00 O ATOM 1370 OE2 GLU A 88 2.698 -23.629 -3.963 1.00 0.00 O ATOM 0 H GLU A 88 2.184 -18.980 -6.469 1.00 0.00 H new ATOM 0 HA GLU A 88 -0.227 -19.970 -5.109 1.00 0.00 H new ATOM 0 HB2 GLU A 88 2.700 -20.284 -4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.585 -20.565 -3.396 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.322 -21.982 -5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.982 -22.133 -5.914 1.00 0.00 H new ATOM 1377 N LEU A 89 -0.433 -17.518 -4.228 1.00 0.00 N ATOM 1378 CA LEU A 89 -0.640 -16.262 -3.543 1.00 0.00 C ATOM 1379 C LEU A 89 -1.237 -16.567 -2.183 1.00 0.00 C ATOM 1380 O LEU A 89 -2.365 -17.058 -2.102 1.00 0.00 O ATOM 1381 CB LEU A 89 -1.519 -15.341 -4.378 1.00 0.00 C ATOM 1382 CG LEU A 89 -1.918 -14.054 -3.634 1.00 0.00 C ATOM 1383 CD1 LEU A 89 -0.812 -13.170 -3.075 1.00 0.00 C ATOM 1384 CD2 LEU A 89 -2.665 -13.205 -4.637 1.00 0.00 C ATOM 0 H LEU A 89 -1.241 -17.821 -4.772 1.00 0.00 H new ATOM 0 HA LEU A 89 0.302 -15.733 -3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.991 -15.076 -5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.420 -15.878 -4.674 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.470 -14.398 -2.759 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.253 -12.304 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.222 -13.737 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.168 -12.835 -3.888 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.976 -12.273 -4.165 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.014 -12.984 -5.483 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.545 -13.745 -4.987 1.00 0.00 H new ATOM 1396 N THR A 90 -0.492 -16.297 -1.125 1.00 0.00 N ATOM 1397 CA THR A 90 -0.927 -16.507 0.246 1.00 0.00 C ATOM 1398 C THR A 90 -1.069 -15.153 0.927 1.00 0.00 C ATOM 1399 O THR A 90 -0.566 -14.141 0.443 1.00 0.00 O ATOM 1400 CB THR A 90 0.087 -17.446 0.922 1.00 0.00 C ATOM 1401 OG1 THR A 90 0.117 -18.650 0.180 1.00 0.00 O ATOM 1402 CG2 THR A 90 -0.225 -17.815 2.372 1.00 0.00 C ATOM 0 H THR A 90 0.452 -15.918 -1.196 1.00 0.00 H new ATOM 0 HA THR A 90 -1.904 -16.986 0.310 1.00 0.00 H new ATOM 0 HB THR A 90 1.033 -16.904 0.939 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.758 -19.269 0.587 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.550 -18.479 2.753 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.258 -16.910 2.979 1.00 0.00 H new ATOM 0 HG23 THR A 90 -1.190 -18.319 2.420 1.00 0.00 H new ATOM 1410 N ILE A 91 -1.770 -15.147 2.053 1.00 0.00 N ATOM 1411 CA ILE A 91 -1.935 -14.021 2.949 1.00 0.00 C ATOM 1412 C ILE A 91 -1.410 -14.605 4.256 1.00 0.00 C ATOM 1413 O ILE A 91 -1.916 -15.649 4.681 1.00 0.00 O ATOM 1414 CB ILE A 91 -3.409 -13.553 3.075 1.00 0.00 C ATOM 1415 CG1 ILE A 91 -4.253 -13.569 1.781 1.00 0.00 C ATOM 1416 CG2 ILE A 91 -3.450 -12.164 3.734 1.00 0.00 C ATOM 1417 CD1 ILE A 91 -3.896 -12.529 0.716 1.00 0.00 C ATOM 0 H ILE A 91 -2.265 -15.977 2.380 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.420 -13.121 2.614 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.889 -14.306 3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.169 -14.559 1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.299 -13.431 2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -4.485 -11.834 3.823 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.000 -12.218 4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.894 -11.454 3.121 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.559 -12.644 -0.141 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -4.011 -11.528 1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.864 -12.674 0.398 1.00 0.00 H new ATOM 1429 N VAL A 92 -0.388 -14.005 4.853 1.00 0.00 N ATOM 1430 CA VAL A 92 0.123 -14.406 6.156 1.00 0.00 C ATOM 1431 C VAL A 92 -0.149 -13.254 7.117 1.00 0.00 C ATOM 1432 O VAL A 92 -0.169 -12.101 6.684 1.00 0.00 O ATOM 1433 CB VAL A 92 1.608 -14.825 6.080 1.00 0.00 C ATOM 1434 CG1 VAL A 92 1.841 -15.949 5.060 1.00 0.00 C ATOM 1435 CG2 VAL A 92 2.572 -13.684 5.734 1.00 0.00 C ATOM 0 H VAL A 92 0.114 -13.218 4.441 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.384 -15.298 6.524 1.00 0.00 H new ATOM 0 HB VAL A 92 1.826 -15.166 7.092 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.899 -16.210 5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.256 -16.824 5.343 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.533 -15.612 4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.592 -14.067 5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.309 -13.268 4.761 1.00 0.00 H new ATOM 0 HG23 VAL A 92 2.501 -12.905 6.493 1.00 0.00 H new ATOM 1445 N GLU A 93 -0.394 -13.534 8.398 1.00 0.00 N ATOM 1446 CA GLU A 93 -0.536 -12.468 9.378 1.00 0.00 C ATOM 1447 C GLU A 93 0.873 -12.073 9.807 1.00 0.00 C ATOM 1448 O GLU A 93 1.623 -12.922 10.288 1.00 0.00 O ATOM 1449 CB GLU A 93 -1.370 -12.916 10.585 1.00 0.00 C ATOM 1450 CG GLU A 93 -1.670 -11.685 11.450 1.00 0.00 C ATOM 1451 CD GLU A 93 -2.181 -12.028 12.844 1.00 0.00 C ATOM 1452 OE1 GLU A 93 -3.311 -12.551 12.993 1.00 0.00 O ATOM 1453 OE2 GLU A 93 -1.455 -11.724 13.818 1.00 0.00 O ATOM 0 H GLU A 93 -0.496 -14.477 8.773 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.065 -11.621 8.941 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.298 -13.381 10.253 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -0.828 -13.664 11.164 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.764 -11.086 11.542 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.411 -11.067 10.943 1.00 0.00 H new ATOM 1460 N ASP A 94 1.226 -10.805 9.637 1.00 0.00 N ATOM 1461 CA ASP A 94 2.540 -10.266 9.926 1.00 0.00 C ATOM 1462 C ASP A 94 2.358 -8.882 10.540 1.00 0.00 C ATOM 1463 O ASP A 94 2.211 -7.876 9.849 1.00 0.00 O ATOM 1464 CB ASP A 94 3.350 -10.241 8.636 1.00 0.00 C ATOM 1465 CG ASP A 94 4.839 -10.037 8.877 1.00 0.00 C ATOM 1466 OD1 ASP A 94 5.397 -10.730 9.754 1.00 0.00 O ATOM 1467 OD2 ASP A 94 5.478 -9.359 8.047 1.00 0.00 O ATOM 0 H ASP A 94 0.578 -10.102 9.281 1.00 0.00 H new ATOM 0 HA ASP A 94 3.089 -10.879 10.641 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.199 -11.178 8.099 1.00 0.00 H new ATOM 0 HB3 ASP A 94 2.978 -9.442 7.994 1.00 0.00 H new ATOM 1472 N ASP A 95 2.245 -8.845 11.864 1.00 0.00 N ATOM 1473 CA ASP A 95 2.057 -7.623 12.655 1.00 0.00 C ATOM 1474 C ASP A 95 3.277 -6.708 12.632 1.00 0.00 C ATOM 1475 O ASP A 95 3.132 -5.507 12.871 1.00 0.00 O ATOM 1476 CB ASP A 95 1.752 -7.957 14.123 1.00 0.00 C ATOM 1477 CG ASP A 95 2.871 -8.760 14.768 1.00 0.00 C ATOM 1478 OD1 ASP A 95 2.906 -9.980 14.494 1.00 0.00 O ATOM 1479 OD2 ASP A 95 3.683 -8.204 15.535 1.00 0.00 O ATOM 0 H ASP A 95 2.282 -9.687 12.438 1.00 0.00 H new ATOM 0 HA ASP A 95 1.217 -7.105 12.192 1.00 0.00 H new ATOM 0 HB2 ASP A 95 1.600 -7.033 14.681 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.821 -8.521 14.181 1.00 0.00 H new ATOM 1522 N VAL A 99 8.299 -3.914 6.693 1.00 0.00 N ATOM 1523 CA VAL A 99 8.219 -3.403 5.336 1.00 0.00 C ATOM 1524 C VAL A 99 6.956 -2.534 5.269 1.00 0.00 C ATOM 1525 O VAL A 99 5.957 -2.805 5.951 1.00 0.00 O ATOM 1526 CB VAL A 99 8.186 -4.585 4.350 1.00 0.00 C ATOM 1527 CG1 VAL A 99 8.111 -4.132 2.887 1.00 0.00 C ATOM 1528 CG2 VAL A 99 9.387 -5.532 4.505 1.00 0.00 C ATOM 0 HA VAL A 99 9.083 -2.797 5.062 1.00 0.00 H new ATOM 0 HB VAL A 99 7.275 -5.125 4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.090 -5.006 2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.206 -3.544 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.983 -3.523 2.649 1.00 0.00 H new ATOM 0 HG21 VAL A 99 9.306 -6.344 3.782 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.310 -4.980 4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 99 9.398 -5.944 5.514 1.00 0.00 H new ATOM 1538 N ARG A 100 7.001 -1.466 4.468 1.00 0.00 N ATOM 1539 CA ARG A 100 5.863 -0.579 4.241 1.00 0.00 C ATOM 1540 C ARG A 100 4.911 -1.258 3.244 1.00 0.00 C ATOM 1541 O ARG A 100 5.351 -1.709 2.186 1.00 0.00 O ATOM 1542 CB ARG A 100 6.347 0.775 3.686 1.00 0.00 C ATOM 1543 CG ARG A 100 7.236 1.657 4.593 1.00 0.00 C ATOM 1544 CD ARG A 100 8.760 1.511 4.388 1.00 0.00 C ATOM 1545 NE ARG A 100 9.380 0.497 5.264 1.00 0.00 N ATOM 1546 CZ ARG A 100 10.515 -0.181 5.021 1.00 0.00 C ATOM 1547 NH1 ARG A 100 11.254 0.041 3.943 1.00 0.00 N ATOM 1548 NH2 ARG A 100 10.906 -1.117 5.870 1.00 0.00 N ATOM 0 H ARG A 100 7.839 -1.192 3.955 1.00 0.00 H new ATOM 0 HA ARG A 100 5.342 -0.391 5.180 1.00 0.00 H new ATOM 0 HB2 ARG A 100 6.898 0.581 2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.467 1.358 3.413 1.00 0.00 H new ATOM 0 HG2 ARG A 100 6.965 2.700 4.431 1.00 0.00 H new ATOM 0 HG3 ARG A 100 7.005 1.425 5.633 1.00 0.00 H new ATOM 0 HD2 ARG A 100 8.955 1.249 3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 100 9.236 2.475 4.568 1.00 0.00 H new ATOM 0 HE ARG A 100 8.900 0.291 6.140 1.00 0.00 H new ATOM 0 HH11 ARG A 100 10.967 0.746 3.264 1.00 0.00 H new ATOM 0 HH12 ARG A 100 12.110 -0.493 3.792 1.00 0.00 H new ATOM 0 HH21 ARG A 100 10.348 -1.318 6.700 1.00 0.00 H new ATOM 0 HH22 ARG A 100 11.766 -1.637 5.695 1.00 0.00 H new ATOM 1562 N THR A 101 3.626 -1.373 3.572 1.00 0.00 N ATOM 1563 CA THR A 101 2.587 -1.880 2.668 1.00 0.00 C ATOM 1564 C THR A 101 2.254 -0.781 1.630 1.00 0.00 C ATOM 1565 O THR A 101 2.692 0.347 1.835 1.00 0.00 O ATOM 1566 CB THR A 101 1.367 -2.275 3.522 1.00 0.00 C ATOM 1567 OG1 THR A 101 0.689 -1.132 4.000 1.00 0.00 O ATOM 1568 CG2 THR A 101 1.726 -3.142 4.737 1.00 0.00 C ATOM 0 H THR A 101 3.267 -1.112 4.491 1.00 0.00 H new ATOM 0 HA THR A 101 2.917 -2.761 2.117 1.00 0.00 H new ATOM 0 HB THR A 101 0.733 -2.857 2.853 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.215 -1.105 3.621 1.00 0.00 H new ATOM 0 HG21 THR A 101 0.820 -3.383 5.293 1.00 0.00 H new ATOM 0 HG22 THR A 101 2.200 -4.064 4.399 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.414 -2.596 5.383 1.00 0.00 H new ATOM 1576 N PRO A 102 1.444 -0.991 0.571 1.00 0.00 N ATOM 1577 CA PRO A 102 1.158 0.053 -0.415 1.00 0.00 C ATOM 1578 C PRO A 102 0.238 1.169 0.120 1.00 0.00 C ATOM 1579 O PRO A 102 -0.089 2.125 -0.591 1.00 0.00 O ATOM 1580 CB PRO A 102 0.638 -0.676 -1.649 1.00 0.00 C ATOM 1581 CG PRO A 102 0.091 -1.995 -1.145 1.00 0.00 C ATOM 1582 CD PRO A 102 0.818 -2.236 0.182 1.00 0.00 C ATOM 0 HA PRO A 102 2.055 0.618 -0.670 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -0.138 -0.096 -2.149 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.435 -0.835 -2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.989 -1.947 -1.002 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.283 -2.800 -1.854 1.00 0.00 H new ATOM 0 HD2 PRO A 102 0.117 -2.568 0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.565 -3.022 0.072 1.00 0.00 H new ATOM 1590 N LEU A 103 -0.272 1.028 1.348 1.00 0.00 N ATOM 1591 CA LEU A 103 -1.032 2.068 2.032 1.00 0.00 C ATOM 1592 C LEU A 103 -0.007 2.869 2.827 1.00 0.00 C ATOM 1593 O LEU A 103 0.085 4.085 2.690 1.00 0.00 O ATOM 1594 CB LEU A 103 -2.110 1.471 2.943 1.00 0.00 C ATOM 1595 CG LEU A 103 -3.241 2.461 3.280 1.00 0.00 C ATOM 1596 CD1 LEU A 103 -4.346 1.721 4.032 1.00 0.00 C ATOM 1597 CD2 LEU A 103 -2.797 3.668 4.115 1.00 0.00 C ATOM 0 H LEU A 103 -0.165 0.176 1.898 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.568 2.700 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.538 0.592 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.646 1.132 3.869 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.591 2.857 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.150 2.416 4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.736 0.918 3.407 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.941 1.300 4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.654 4.313 4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.384 3.323 5.063 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.037 4.227 3.570 1.00 0.00 H new ATOM 1609 N GLU A 104 0.799 2.169 3.626 1.00 0.00 N ATOM 1610 CA GLU A 104 1.847 2.745 4.454 1.00 0.00 C ATOM 1611 C GLU A 104 2.899 3.440 3.583 1.00 0.00 C ATOM 1612 O GLU A 104 3.489 4.413 4.040 1.00 0.00 O ATOM 1613 CB GLU A 104 2.477 1.633 5.302 1.00 0.00 C ATOM 1614 CG GLU A 104 1.499 0.990 6.298 1.00 0.00 C ATOM 1615 CD GLU A 104 1.414 1.741 7.627 1.00 0.00 C ATOM 1616 OE1 GLU A 104 2.214 1.400 8.526 1.00 0.00 O ATOM 1617 OE2 GLU A 104 0.509 2.594 7.793 1.00 0.00 O ATOM 0 H GLU A 104 0.735 1.155 3.714 1.00 0.00 H new ATOM 0 HA GLU A 104 1.421 3.500 5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.869 0.861 4.640 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.325 2.042 5.851 1.00 0.00 H new ATOM 0 HG2 GLU A 104 0.507 0.948 5.848 1.00 0.00 H new ATOM 0 HG3 GLU A 104 1.807 -0.038 6.488 1.00 0.00 H new ATOM 1624 N TRP A 105 3.116 2.988 2.341 1.00 0.00 N ATOM 1625 CA TRP A 105 3.985 3.622 1.358 1.00 0.00 C ATOM 1626 C TRP A 105 3.346 4.897 0.844 1.00 0.00 C ATOM 1627 O TRP A 105 4.027 5.912 0.800 1.00 0.00 O ATOM 1628 CB TRP A 105 4.312 2.710 0.165 1.00 0.00 C ATOM 1629 CG TRP A 105 5.663 2.085 0.224 1.00 0.00 C ATOM 1630 CD1 TRP A 105 5.943 0.768 0.146 1.00 0.00 C ATOM 1631 CD2 TRP A 105 6.939 2.765 0.382 1.00 0.00 C ATOM 1632 NE1 TRP A 105 7.309 0.590 0.237 1.00 0.00 N ATOM 1633 CE2 TRP A 105 7.964 1.782 0.447 1.00 0.00 C ATOM 1634 CE3 TRP A 105 7.331 4.114 0.508 1.00 0.00 C ATOM 1635 CZ2 TRP A 105 9.301 2.120 0.692 1.00 0.00 C ATOM 1636 CZ3 TRP A 105 8.656 4.461 0.803 1.00 0.00 C ATOM 1637 CH2 TRP A 105 9.641 3.466 0.889 1.00 0.00 C ATOM 0 H TRP A 105 2.673 2.140 1.987 1.00 0.00 H new ATOM 0 HA TRP A 105 4.922 3.840 1.871 1.00 0.00 H new ATOM 0 HB2 TRP A 105 3.562 1.921 0.109 1.00 0.00 H new ATOM 0 HB3 TRP A 105 4.233 3.291 -0.754 1.00 0.00 H new ATOM 0 HD1 TRP A 105 5.215 -0.021 0.031 1.00 0.00 H new ATOM 0 HE1 TRP A 105 7.775 -0.314 0.158 1.00 0.00 H new ATOM 0 HE3 TRP A 105 6.596 4.894 0.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 10.061 1.353 0.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 8.919 5.496 0.964 1.00 0.00 H new ATOM 0 HH2 TRP A 105 10.663 3.737 1.107 1.00 0.00 H new ATOM 1648 N ARG A 106 2.060 4.884 0.479 1.00 0.00 N ATOM 1649 CA ARG A 106 1.344 6.100 0.094 1.00 0.00 C ATOM 1650 C ARG A 106 1.477 7.134 1.214 1.00 0.00 C ATOM 1651 O ARG A 106 1.844 8.277 0.958 1.00 0.00 O ATOM 1652 CB ARG A 106 -0.114 5.746 -0.258 1.00 0.00 C ATOM 1653 CG ARG A 106 -0.911 6.957 -0.760 1.00 0.00 C ATOM 1654 CD ARG A 106 -2.424 6.717 -0.841 1.00 0.00 C ATOM 1655 NE ARG A 106 -2.880 6.154 -2.126 1.00 0.00 N ATOM 1656 CZ ARG A 106 -3.275 4.894 -2.346 1.00 0.00 C ATOM 1657 NH1 ARG A 106 -2.898 3.904 -1.540 1.00 0.00 N ATOM 1658 NH2 ARG A 106 -4.083 4.619 -3.360 1.00 0.00 N ATOM 0 H ARG A 106 1.492 4.037 0.443 1.00 0.00 H new ATOM 0 HA ARG A 106 1.775 6.549 -0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.121 4.969 -1.023 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.606 5.332 0.622 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.722 7.803 -0.099 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.544 7.237 -1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.717 6.042 -0.037 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.940 7.661 -0.668 1.00 0.00 H new ATOM 0 HE ARG A 106 -2.896 6.787 -2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -2.298 4.099 -0.739 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.209 2.950 -1.724 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.404 5.368 -3.974 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.383 3.659 -3.527 1.00 0.00 H new ATOM 1672 N GLN A 107 1.223 6.716 2.452 1.00 0.00 N ATOM 1673 CA GLN A 107 1.379 7.542 3.638 1.00 0.00 C ATOM 1674 C GLN A 107 2.833 8.017 3.763 1.00 0.00 C ATOM 1675 O GLN A 107 3.083 9.203 3.969 1.00 0.00 O ATOM 1676 CB GLN A 107 0.944 6.718 4.863 1.00 0.00 C ATOM 1677 CG GLN A 107 0.714 7.572 6.114 1.00 0.00 C ATOM 1678 CD GLN A 107 -0.731 8.043 6.211 1.00 0.00 C ATOM 1679 OE1 GLN A 107 -1.145 8.974 5.524 1.00 0.00 O ATOM 1680 NE2 GLN A 107 -1.530 7.406 7.053 1.00 0.00 N ATOM 0 H GLN A 107 0.896 5.772 2.659 1.00 0.00 H new ATOM 0 HA GLN A 107 0.754 8.432 3.569 1.00 0.00 H new ATOM 0 HB2 GLN A 107 0.026 6.181 4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 107 1.706 5.968 5.078 1.00 0.00 H new ATOM 0 HG2 GLN A 107 0.970 6.994 7.002 1.00 0.00 H new ATOM 0 HG3 GLN A 107 1.379 8.436 6.093 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -1.168 6.635 7.615 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -2.507 7.686 7.140 1.00 0.00 H new ATOM 1689 N ALA A 108 3.796 7.101 3.627 1.00 0.00 N ATOM 1690 CA ALA A 108 5.214 7.391 3.774 1.00 0.00 C ATOM 1691 C ALA A 108 5.646 8.421 2.752 1.00 0.00 C ATOM 1692 O ALA A 108 6.378 9.321 3.103 1.00 0.00 O ATOM 1693 CB ALA A 108 6.079 6.134 3.627 1.00 0.00 C ATOM 0 H ALA A 108 3.603 6.124 3.408 1.00 0.00 H new ATOM 0 HA ALA A 108 5.358 7.782 4.781 1.00 0.00 H new ATOM 0 HB1 ALA A 108 7.130 6.400 3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.800 5.409 4.392 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.923 5.698 2.640 1.00 0.00 H new ATOM 1699 N ILE A 109 5.183 8.325 1.513 1.00 0.00 N ATOM 1700 CA ILE A 109 5.534 9.209 0.413 1.00 0.00 C ATOM 1701 C ILE A 109 5.034 10.632 0.654 1.00 0.00 C ATOM 1702 O ILE A 109 5.628 11.584 0.142 1.00 0.00 O ATOM 1703 CB ILE A 109 5.043 8.528 -0.878 1.00 0.00 C ATOM 1704 CG1 ILE A 109 6.109 7.479 -1.273 1.00 0.00 C ATOM 1705 CG2 ILE A 109 4.680 9.470 -2.029 1.00 0.00 C ATOM 1706 CD1 ILE A 109 7.181 8.023 -2.223 1.00 0.00 C ATOM 0 H ILE A 109 4.524 7.597 1.237 1.00 0.00 H new ATOM 0 HA ILE A 109 6.611 9.353 0.321 1.00 0.00 H new ATOM 0 HB ILE A 109 4.083 8.056 -0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 109 6.591 7.105 -0.370 1.00 0.00 H new ATOM 0 HG13 ILE A 109 5.614 6.630 -1.745 1.00 0.00 H new ATOM 0 HG21 ILE A 109 4.347 8.885 -2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 109 3.879 10.139 -1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.555 10.058 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.895 7.233 -2.457 1.00 0.00 H new ATOM 0 HD12 ILE A 109 6.710 8.370 -3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 109 7.702 8.853 -1.746 1.00 0.00 H new ATOM 1718 N TYR A 110 3.974 10.805 1.442 1.00 0.00 N ATOM 1719 CA TYR A 110 3.527 12.132 1.828 1.00 0.00 C ATOM 1720 C TYR A 110 4.542 12.690 2.814 1.00 0.00 C ATOM 1721 O TYR A 110 5.006 13.827 2.685 1.00 0.00 O ATOM 1722 CB TYR A 110 2.148 12.037 2.480 1.00 0.00 C ATOM 1723 CG TYR A 110 1.571 13.376 2.856 1.00 0.00 C ATOM 1724 CD1 TYR A 110 1.000 14.188 1.862 1.00 0.00 C ATOM 1725 CD2 TYR A 110 1.570 13.790 4.199 1.00 0.00 C ATOM 1726 CE1 TYR A 110 0.387 15.404 2.203 1.00 0.00 C ATOM 1727 CE2 TYR A 110 0.967 15.007 4.546 1.00 0.00 C ATOM 1728 CZ TYR A 110 0.365 15.817 3.556 1.00 0.00 C ATOM 1729 OH TYR A 110 -0.241 16.985 3.907 1.00 0.00 O ATOM 0 H TYR A 110 3.414 10.042 1.822 1.00 0.00 H new ATOM 0 HA TYR A 110 3.449 12.786 0.959 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.465 11.534 1.796 1.00 0.00 H new ATOM 0 HB3 TYR A 110 2.219 11.416 3.373 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.033 13.875 0.829 1.00 0.00 H new ATOM 0 HD2 TYR A 110 2.030 13.175 4.958 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -0.064 16.019 1.439 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.962 15.328 5.577 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.165 17.115 4.875 1.00 0.00 H new