USER MOD reduce.3.24.130724 H: found=0, std=0, add=1031, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1033 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 516 SER OG : rot 120:sc= 0.559 USER MOD Set 1.2: A 523 MET CE :methyl 174:sc= -0.154 (180deg=-0.0258) USER MOD Set 2.1: A 451 GLN :FLIP amide:sc= 0.189 F(o=-1.6,f=1.4) USER MOD Set 2.2: A 497 CYS SG : rot -104:sc= -0.277 USER MOD Set 2.3: A 499 HIS : no HD1:sc= 1.54 K(o=1.4,f=-16!) USER MOD Set 3.1: A 430 GLN : amide:sc= 0.845 K(o=1.7,f=-2!) USER MOD Set 3.2: A 432 TYR OH : rot -69:sc= 0.806 USER MOD Set 3.3: A 474 HIS : no HD1:sc= -0.062 K(o=1.7,f=1.2) USER MOD Set 3.4: A 476 THR OG1 : rot 70:sc= 0.138 USER MOD Set 4.1: A 409 GLN : amide:sc= 0.194 X(o=0.37,f=0) USER MOD Set 4.2: A 424 THR OG1 : rot 180:sc= 0.174 USER MOD Set 5.1: A 398 LYS NZ :NH3+ -166:sc= 0.762 (180deg=-0.1) USER MOD Set 5.2: A 434 ASN : amide:sc= 0.671 K(o=1.4,f=-2.8) USER MOD Single : A 403 SER OG : rot 26:sc= 0.0682 USER MOD Single : A 426 SER OG : rot 180:sc= 0 USER MOD Single : A 429 CYS SG : rot 160:sc= -2.58! USER MOD Single : A 438 ASN : amide:sc= -0.315 X(o=-0.32,f=0) USER MOD Single : A 440 LYS NZ :NH3+ -166:sc= 0.593 (180deg=0.485) USER MOD Single : A 441 THR OG1 : rot 154:sc= 0.206 USER MOD Single : A 443 GLN : amide:sc= -0.357 X(o=-0.36,f=0) USER MOD Single : A 446 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0.678 (180deg=0.678) USER MOD Single : A 450 MET CE :methyl 153:sc=-0.00613 (180deg=-0.72) USER MOD Single : A 455 GLN : amide:sc= -1.27 X(o=-1.3,f=-0.92) USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 459 THR OG1 : rot -78:sc= 1.21 USER MOD Single : A 460 THR OG1 : rot 180:sc= 0 USER MOD Single : A 467 ASN : amide:sc= 0.196 K(o=0.2,f=-1.7!) USER MOD Single : A 468 SER OG : rot 66:sc= 0.624 USER MOD Single : A 470 MET CE :methyl 139:sc= -0.727 (180deg=-1.98!) USER MOD Single : A 472 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 477 ASN : amide:sc= -0.137 K(o=-0.14,f=-3.2!) USER MOD Single : A 478 LYS NZ :NH3+ 156:sc= -1.2! (180deg=-2.33!) USER MOD Single : A 482 SER OG : rot 180:sc= 0 USER MOD Single : A 484 LYS NZ :NH3+ 146:sc= 0.913 (180deg=-0.242) USER MOD Single : A 487 TYR OH : rot 108:sc= 0.9 USER MOD Single : A 490 MET CE :methyl -156:sc= -0.415 (180deg=-1.18) USER MOD Single : A 492 ASN : amide:sc= 0.0322 X(o=0.032,f=0) USER MOD Single : A 512 MET CE :methyl -166:sc= -1.13 (180deg=-1.62) USER MOD Single : A 515 TYR OH : rot 89:sc= 0.129 USER MOD Single : A 517 SER OG : rot 180:sc= 0 USER MOD Single : A 518 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 519 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 520 LYS NZ :NH3+ 171:sc= -0.0154 (180deg=-0.133) USER MOD Single : A 528 TYR OH : rot 150:sc= 0.117 USER MOD Single : A 530 GLN : amide:sc= -1.34 K(o=-1.3,f=-8.1!) USER MOD Single : A 531 SER OG : rot 180:sc= 0 USER MOD Single : A 535 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 539 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 250 N LYS A 398 -15.878 7.970 5.987 1.00 24.42 N ATOM 251 CA LYS A 398 -15.140 8.895 5.100 1.00 60.14 C ATOM 252 C LYS A 398 -15.802 9.066 3.710 1.00 43.41 C ATOM 253 O LYS A 398 -16.653 8.266 3.298 1.00 23.30 O ATOM 254 CB LYS A 398 -13.685 8.391 4.949 1.00 61.34 C ATOM 255 CG LYS A 398 -12.923 8.242 6.282 1.00 41.21 C ATOM 256 CD LYS A 398 -11.439 7.857 6.086 1.00 25.13 C ATOM 257 CE LYS A 398 -10.722 7.587 7.422 1.00 32.54 C ATOM 258 NZ LYS A 398 -10.823 8.747 8.352 1.00 34.52 N ATOM 0 HA LYS A 398 -15.156 9.881 5.564 1.00 60.14 H new ATOM 0 HB2 LYS A 398 -13.698 7.426 4.442 1.00 61.34 H new ATOM 0 HB3 LYS A 398 -13.138 9.082 4.307 1.00 61.34 H new ATOM 0 HG2 LYS A 398 -12.980 9.180 6.834 1.00 41.21 H new ATOM 0 HG3 LYS A 398 -13.413 7.483 6.892 1.00 41.21 H new ATOM 0 HD2 LYS A 398 -11.377 6.969 5.457 1.00 25.13 H new ATOM 0 HD3 LYS A 398 -10.925 8.659 5.556 1.00 25.13 H new ATOM 0 HE2 LYS A 398 -11.154 6.705 7.894 1.00 32.54 H new ATOM 0 HE3 LYS A 398 -9.672 7.365 7.232 1.00 32.54 H new ATOM 0 HZ1 LYS A 398 -10.143 8.629 9.130 1.00 34.52 H new ATOM 0 HZ2 LYS A 398 -10.611 9.625 7.836 1.00 34.52 H new ATOM 0 HZ3 LYS A 398 -11.787 8.798 8.740 1.00 34.52 H new ATOM 272 N LEU A 399 -15.363 10.120 2.994 1.00 43.33 N ATOM 273 CA LEU A 399 -15.895 10.501 1.666 1.00 22.43 C ATOM 274 C LEU A 399 -14.959 10.032 0.536 1.00 32.21 C ATOM 275 O LEU A 399 -13.729 10.095 0.676 1.00 45.13 O ATOM 276 CB LEU A 399 -16.056 12.035 1.591 1.00 72.13 C ATOM 277 CG LEU A 399 -16.780 12.599 0.331 1.00 23.23 C ATOM 278 CD1 LEU A 399 -18.240 12.099 0.258 1.00 62.15 C ATOM 279 CD2 LEU A 399 -16.711 14.139 0.310 1.00 62.34 C ATOM 0 H LEU A 399 -14.622 10.738 3.323 1.00 43.33 H new ATOM 0 HA LEU A 399 -16.863 10.017 1.537 1.00 22.43 H new ATOM 0 HB2 LEU A 399 -16.603 12.364 2.474 1.00 72.13 H new ATOM 0 HB3 LEU A 399 -15.065 12.485 1.644 1.00 72.13 H new ATOM 0 HG LEU A 399 -16.264 12.228 -0.554 1.00 23.23 H new ATOM 0 HD11 LEU A 399 -18.721 12.508 -0.631 1.00 62.15 H new ATOM 0 HD12 LEU A 399 -18.250 11.010 0.207 1.00 62.15 H new ATOM 0 HD13 LEU A 399 -18.781 12.425 1.146 1.00 62.15 H new ATOM 0 HD21 LEU A 399 -17.222 14.514 -0.577 1.00 62.34 H new ATOM 0 HD22 LEU A 399 -17.194 14.537 1.202 1.00 62.34 H new ATOM 0 HD23 LEU A 399 -15.668 14.456 0.290 1.00 62.34 H new ATOM 291 N LEU A 400 -15.555 9.575 -0.584 1.00 22.22 N ATOM 292 CA LEU A 400 -14.810 9.138 -1.775 1.00 35.34 C ATOM 293 C LEU A 400 -14.070 10.332 -2.442 1.00 61.14 C ATOM 294 O LEU A 400 -14.703 11.283 -2.910 1.00 2.30 O ATOM 295 CB LEU A 400 -15.773 8.446 -2.781 1.00 70.13 C ATOM 296 CG LEU A 400 -15.109 7.885 -4.075 1.00 10.43 C ATOM 297 CD1 LEU A 400 -13.942 6.947 -3.732 1.00 13.44 C ATOM 298 CD2 LEU A 400 -16.137 7.174 -4.988 1.00 15.14 C ATOM 0 H LEU A 400 -16.567 9.500 -0.685 1.00 22.22 H new ATOM 0 HA LEU A 400 -14.054 8.417 -1.465 1.00 35.34 H new ATOM 0 HB2 LEU A 400 -16.277 7.626 -2.268 1.00 70.13 H new ATOM 0 HB3 LEU A 400 -16.542 9.162 -3.070 1.00 70.13 H new ATOM 0 HG LEU A 400 -14.713 8.735 -4.630 1.00 10.43 H new ATOM 0 HD11 LEU A 400 -13.496 6.569 -4.652 1.00 13.44 H new ATOM 0 HD12 LEU A 400 -13.191 7.494 -3.163 1.00 13.44 H new ATOM 0 HD13 LEU A 400 -14.310 6.111 -3.137 1.00 13.44 H new ATOM 0 HD21 LEU A 400 -15.634 6.798 -5.879 1.00 15.14 H new ATOM 0 HD22 LEU A 400 -16.589 6.342 -4.448 1.00 15.14 H new ATOM 0 HD23 LEU A 400 -16.913 7.881 -5.281 1.00 15.14 H new ATOM 310 N ALA A 401 -12.725 10.272 -2.441 1.00 42.13 N ATOM 311 CA ALA A 401 -11.853 11.312 -3.042 1.00 31.41 C ATOM 312 C ALA A 401 -11.267 10.845 -4.391 1.00 74.05 C ATOM 313 O ALA A 401 -11.079 11.644 -5.318 1.00 25.03 O ATOM 314 CB ALA A 401 -10.726 11.653 -2.064 1.00 51.22 C ATOM 0 H ALA A 401 -12.206 9.500 -2.023 1.00 42.13 H new ATOM 0 HA ALA A 401 -12.455 12.200 -3.235 1.00 31.41 H new ATOM 0 HB1 ALA A 401 -10.083 12.417 -2.502 1.00 51.22 H new ATOM 0 HB2 ALA A 401 -11.153 12.028 -1.134 1.00 51.22 H new ATOM 0 HB3 ALA A 401 -10.139 10.758 -1.859 1.00 51.22 H new ATOM 320 N TRP A 402 -10.978 9.536 -4.481 1.00 35.41 N ATOM 321 CA TRP A 402 -10.363 8.920 -5.677 1.00 11.51 C ATOM 322 C TRP A 402 -10.967 7.521 -5.930 1.00 1.30 C ATOM 323 O TRP A 402 -11.090 6.723 -5.007 1.00 73.24 O ATOM 324 CB TRP A 402 -8.823 8.818 -5.485 1.00 42.41 C ATOM 325 CG TRP A 402 -8.078 8.288 -6.699 1.00 63.01 C ATOM 326 CD1 TRP A 402 -7.569 9.019 -7.738 1.00 71.02 C ATOM 327 CD2 TRP A 402 -7.772 6.911 -6.998 1.00 14.32 C ATOM 328 NE1 TRP A 402 -6.974 8.189 -8.650 1.00 23.54 N ATOM 329 CE2 TRP A 402 -7.084 6.893 -8.222 1.00 75.24 C ATOM 330 CE3 TRP A 402 -8.012 5.696 -6.347 1.00 3.15 C ATOM 331 CZ2 TRP A 402 -6.640 5.713 -8.815 1.00 63.13 C ATOM 332 CZ3 TRP A 402 -7.576 4.525 -6.935 1.00 70.35 C ATOM 333 CH2 TRP A 402 -6.892 4.541 -8.155 1.00 54.21 C ATOM 0 H TRP A 402 -11.163 8.872 -3.729 1.00 35.41 H new ATOM 0 HA TRP A 402 -10.570 9.547 -6.545 1.00 11.51 H new ATOM 0 HB2 TRP A 402 -8.433 9.805 -5.236 1.00 42.41 H new ATOM 0 HB3 TRP A 402 -8.616 8.169 -4.634 1.00 42.41 H new ATOM 0 HD1 TRP A 402 -7.628 10.094 -7.826 1.00 71.02 H new ATOM 0 HE1 TRP A 402 -6.520 8.489 -9.513 1.00 23.54 H new ATOM 0 HE3 TRP A 402 -8.530 5.674 -5.400 1.00 3.15 H new ATOM 0 HZ2 TRP A 402 -6.117 5.723 -9.760 1.00 63.13 H new ATOM 0 HZ3 TRP A 402 -7.766 3.582 -6.445 1.00 70.35 H new ATOM 0 HH2 TRP A 402 -6.556 3.609 -8.585 1.00 54.21 H new ATOM 344 N SER A 403 -11.305 7.230 -7.196 1.00 64.21 N ATOM 345 CA SER A 403 -11.835 5.910 -7.618 1.00 73.21 C ATOM 346 C SER A 403 -11.094 5.414 -8.878 1.00 1.24 C ATOM 347 O SER A 403 -10.972 6.153 -9.864 1.00 0.22 O ATOM 348 CB SER A 403 -13.357 5.999 -7.882 1.00 3.54 C ATOM 349 OG SER A 403 -13.663 6.943 -8.902 1.00 44.42 O ATOM 0 H SER A 403 -11.221 7.899 -7.961 1.00 64.21 H new ATOM 0 HA SER A 403 -11.667 5.194 -6.814 1.00 73.21 H new ATOM 0 HB2 SER A 403 -13.734 5.018 -8.170 1.00 3.54 H new ATOM 0 HB3 SER A 403 -13.870 6.279 -6.962 1.00 3.54 H new ATOM 0 HG SER A 403 -12.895 7.034 -9.504 1.00 44.42 H new ATOM 355 N GLY A 404 -10.602 4.165 -8.836 1.00 70.24 N ATOM 356 CA GLY A 404 -9.827 3.581 -9.937 1.00 0.13 C ATOM 357 C GLY A 404 -9.446 2.129 -9.653 1.00 73.42 C ATOM 358 O GLY A 404 -10.211 1.405 -9.011 1.00 62.24 O ATOM 0 H GLY A 404 -10.730 3.537 -8.042 1.00 70.24 H new ATOM 0 HA2 GLY A 404 -10.408 3.631 -10.858 1.00 0.13 H new ATOM 0 HA3 GLY A 404 -8.924 4.169 -10.098 1.00 0.13 H new ATOM 362 N VAL A 405 -8.272 1.690 -10.141 1.00 30.20 N ATOM 363 CA VAL A 405 -7.800 0.296 -9.959 1.00 3.11 C ATOM 364 C VAL A 405 -6.450 0.259 -9.201 1.00 30.03 C ATOM 365 O VAL A 405 -5.719 1.250 -9.165 1.00 43.35 O ATOM 366 CB VAL A 405 -7.675 -0.435 -11.362 1.00 12.51 C ATOM 367 CG1 VAL A 405 -6.428 -0.015 -12.148 1.00 53.43 C ATOM 368 CG2 VAL A 405 -7.777 -1.979 -11.238 1.00 74.02 C ATOM 0 H VAL A 405 -7.627 2.279 -10.667 1.00 30.20 H new ATOM 0 HA VAL A 405 -8.537 -0.235 -9.356 1.00 3.11 H new ATOM 0 HB VAL A 405 -8.535 -0.101 -11.942 1.00 12.51 H new ATOM 0 HG11 VAL A 405 -6.399 -0.549 -13.098 1.00 53.43 H new ATOM 0 HG12 VAL A 405 -6.461 1.058 -12.336 1.00 53.43 H new ATOM 0 HG13 VAL A 405 -5.536 -0.255 -11.570 1.00 53.43 H new ATOM 0 HG21 VAL A 405 -7.685 -2.430 -12.226 1.00 74.02 H new ATOM 0 HG22 VAL A 405 -6.976 -2.346 -10.596 1.00 74.02 H new ATOM 0 HG23 VAL A 405 -8.741 -2.246 -10.805 1.00 74.02 H new ATOM 378 N LEU A 406 -6.156 -0.886 -8.580 1.00 71.12 N ATOM 379 CA LEU A 406 -4.837 -1.203 -8.005 1.00 40.52 C ATOM 380 C LEU A 406 -4.240 -2.391 -8.793 1.00 31.54 C ATOM 381 O LEU A 406 -4.905 -3.411 -8.957 1.00 42.43 O ATOM 382 CB LEU A 406 -4.975 -1.564 -6.497 1.00 73.50 C ATOM 383 CG LEU A 406 -3.638 -1.666 -5.692 1.00 70.21 C ATOM 384 CD1 LEU A 406 -2.993 -0.276 -5.494 1.00 73.13 C ATOM 385 CD2 LEU A 406 -3.849 -2.379 -4.343 1.00 52.24 C ATOM 0 H LEU A 406 -6.837 -1.635 -8.458 1.00 71.12 H new ATOM 0 HA LEU A 406 -4.179 -0.338 -8.081 1.00 40.52 H new ATOM 0 HB2 LEU A 406 -5.607 -0.814 -6.021 1.00 73.50 H new ATOM 0 HB3 LEU A 406 -5.497 -2.518 -6.418 1.00 73.50 H new ATOM 0 HG LEU A 406 -2.947 -2.270 -6.280 1.00 70.21 H new ATOM 0 HD11 LEU A 406 -2.066 -0.382 -4.931 1.00 73.13 H new ATOM 0 HD12 LEU A 406 -2.778 0.167 -6.466 1.00 73.13 H new ATOM 0 HD13 LEU A 406 -3.679 0.369 -4.945 1.00 73.13 H new ATOM 0 HD21 LEU A 406 -2.901 -2.434 -3.808 1.00 52.24 H new ATOM 0 HD22 LEU A 406 -4.571 -1.822 -3.746 1.00 52.24 H new ATOM 0 HD23 LEU A 406 -4.225 -3.387 -4.519 1.00 52.24 H new ATOM 397 N GLU A 407 -2.998 -2.250 -9.288 1.00 73.43 N ATOM 398 CA GLU A 407 -2.305 -3.292 -10.091 1.00 23.35 C ATOM 399 C GLU A 407 -0.953 -3.657 -9.456 1.00 40.31 C ATOM 400 O GLU A 407 -0.142 -2.781 -9.191 1.00 1.43 O ATOM 401 CB GLU A 407 -2.075 -2.793 -11.545 1.00 41.43 C ATOM 402 CG GLU A 407 -1.270 -3.768 -12.445 1.00 3.00 C ATOM 403 CD GLU A 407 -0.894 -3.171 -13.816 1.00 42.51 C ATOM 404 OE1 GLU A 407 0.078 -2.380 -13.895 1.00 21.55 O ATOM 405 OE2 GLU A 407 -1.577 -3.473 -14.821 1.00 35.11 O ATOM 0 H GLU A 407 -2.438 -1.409 -9.146 1.00 73.43 H new ATOM 0 HA GLU A 407 -2.939 -4.178 -10.111 1.00 23.35 H new ATOM 0 HB2 GLU A 407 -3.044 -2.608 -12.009 1.00 41.43 H new ATOM 0 HB3 GLU A 407 -1.551 -1.838 -11.508 1.00 41.43 H new ATOM 0 HG2 GLU A 407 -0.359 -4.063 -11.924 1.00 3.00 H new ATOM 0 HG3 GLU A 407 -1.856 -4.674 -12.600 1.00 3.00 H new ATOM 412 N TRP A 408 -0.716 -4.957 -9.250 1.00 12.13 N ATOM 413 CA TRP A 408 0.553 -5.480 -8.714 1.00 34.11 C ATOM 414 C TRP A 408 0.885 -6.831 -9.364 1.00 41.13 C ATOM 415 O TRP A 408 0.077 -7.397 -10.115 1.00 14.42 O ATOM 416 CB TRP A 408 0.459 -5.626 -7.171 1.00 55.04 C ATOM 417 CG TRP A 408 -0.572 -6.630 -6.702 1.00 55.54 C ATOM 418 CD1 TRP A 408 -0.351 -7.929 -6.354 1.00 72.34 C ATOM 419 CD2 TRP A 408 -1.982 -6.410 -6.542 1.00 72.42 C ATOM 420 NE1 TRP A 408 -1.525 -8.526 -5.981 1.00 60.32 N ATOM 421 CE2 TRP A 408 -2.540 -7.610 -6.082 1.00 43.31 C ATOM 422 CE3 TRP A 408 -2.818 -5.309 -6.734 1.00 74.41 C ATOM 423 CZ2 TRP A 408 -3.900 -7.746 -5.829 1.00 24.54 C ATOM 424 CZ3 TRP A 408 -4.163 -5.443 -6.475 1.00 53.42 C ATOM 425 CH2 TRP A 408 -4.687 -6.650 -6.024 1.00 60.51 C ATOM 0 H TRP A 408 -1.402 -5.684 -9.451 1.00 12.13 H new ATOM 0 HA TRP A 408 1.353 -4.778 -8.948 1.00 34.11 H new ATOM 0 HB2 TRP A 408 1.436 -5.919 -6.785 1.00 55.04 H new ATOM 0 HB3 TRP A 408 0.224 -4.653 -6.739 1.00 55.04 H new ATOM 0 HD1 TRP A 408 0.612 -8.417 -6.370 1.00 72.34 H new ATOM 0 HE1 TRP A 408 -1.628 -9.494 -5.677 1.00 60.32 H new ATOM 0 HE3 TRP A 408 -2.416 -4.368 -7.080 1.00 74.41 H new ATOM 0 HZ2 TRP A 408 -4.317 -8.683 -5.491 1.00 24.54 H new ATOM 0 HZ3 TRP A 408 -4.821 -4.599 -6.624 1.00 53.42 H new ATOM 0 HH2 TRP A 408 -5.746 -6.721 -5.823 1.00 60.51 H new ATOM 436 N GLN A 409 2.079 -7.352 -9.056 1.00 52.44 N ATOM 437 CA GLN A 409 2.470 -8.717 -9.441 1.00 52.30 C ATOM 438 C GLN A 409 2.837 -9.538 -8.191 1.00 32.40 C ATOM 439 O GLN A 409 3.729 -9.168 -7.415 1.00 33.11 O ATOM 440 CB GLN A 409 3.623 -8.724 -10.485 1.00 15.32 C ATOM 441 CG GLN A 409 3.242 -8.093 -11.846 1.00 74.43 C ATOM 442 CD GLN A 409 4.209 -8.457 -12.976 1.00 55.13 C ATOM 443 OE1 GLN A 409 5.192 -7.770 -13.226 1.00 11.21 O ATOM 444 NE2 GLN A 409 3.929 -9.553 -13.658 1.00 3.10 N ATOM 0 H GLN A 409 2.797 -6.846 -8.537 1.00 52.44 H new ATOM 0 HA GLN A 409 1.613 -9.186 -9.924 1.00 52.30 H new ATOM 0 HB2 GLN A 409 4.476 -8.186 -10.073 1.00 15.32 H new ATOM 0 HB3 GLN A 409 3.944 -9.752 -10.650 1.00 15.32 H new ATOM 0 HG2 GLN A 409 2.237 -8.416 -12.119 1.00 74.43 H new ATOM 0 HG3 GLN A 409 3.211 -7.009 -11.740 1.00 74.43 H new ATOM 0 HE21 GLN A 409 3.102 -10.102 -13.424 1.00 3.10 H new ATOM 0 HE22 GLN A 409 4.540 -9.850 -14.419 1.00 3.10 H new ATOM 453 N GLU A 410 2.101 -10.636 -8.012 1.00 64.42 N ATOM 454 CA GLU A 410 2.282 -11.611 -6.923 1.00 45.42 C ATOM 455 C GLU A 410 3.524 -12.503 -7.170 1.00 25.33 C ATOM 456 O GLU A 410 4.101 -12.490 -8.263 1.00 43.44 O ATOM 457 CB GLU A 410 0.996 -12.478 -6.840 1.00 22.15 C ATOM 458 CG GLU A 410 -0.306 -11.656 -6.743 1.00 54.23 C ATOM 459 CD GLU A 410 -1.589 -12.510 -6.798 1.00 73.44 C ATOM 460 OE1 GLU A 410 -1.875 -13.093 -7.864 1.00 61.44 O ATOM 461 OE2 GLU A 410 -2.342 -12.567 -5.798 1.00 34.15 O ATOM 0 H GLU A 410 1.336 -10.884 -8.639 1.00 64.42 H new ATOM 0 HA GLU A 410 2.448 -11.086 -5.982 1.00 45.42 H new ATOM 0 HB2 GLU A 410 0.945 -13.120 -7.720 1.00 22.15 H new ATOM 0 HB3 GLU A 410 1.066 -13.133 -5.972 1.00 22.15 H new ATOM 0 HG2 GLU A 410 -0.298 -11.089 -5.812 1.00 54.23 H new ATOM 0 HG3 GLU A 410 -0.328 -10.931 -7.557 1.00 54.23 H new ATOM 649 N LEU A 423 1.943 -14.140 -11.885 1.00 15.32 N ATOM 650 CA LEU A 423 0.640 -13.734 -11.321 1.00 54.24 C ATOM 651 C LEU A 423 0.510 -12.197 -11.326 1.00 32.34 C ATOM 652 O LEU A 423 1.022 -11.528 -10.437 1.00 75.13 O ATOM 653 CB LEU A 423 0.476 -14.303 -9.889 1.00 74.33 C ATOM 654 CG LEU A 423 0.304 -15.848 -9.766 1.00 42.30 C ATOM 655 CD1 LEU A 423 0.228 -16.280 -8.285 1.00 1.33 C ATOM 656 CD2 LEU A 423 -0.936 -16.333 -10.544 1.00 22.23 C ATOM 0 HA LEU A 423 -0.157 -14.142 -11.942 1.00 54.24 H new ATOM 0 HB2 LEU A 423 1.348 -14.010 -9.304 1.00 74.33 H new ATOM 0 HB3 LEU A 423 -0.390 -13.826 -9.430 1.00 74.33 H new ATOM 0 HG LEU A 423 1.182 -16.317 -10.210 1.00 42.30 H new ATOM 0 HD11 LEU A 423 0.108 -17.362 -8.227 1.00 1.33 H new ATOM 0 HD12 LEU A 423 1.145 -15.989 -7.774 1.00 1.33 H new ATOM 0 HD13 LEU A 423 -0.623 -15.795 -7.808 1.00 1.33 H new ATOM 0 HD21 LEU A 423 -1.031 -17.414 -10.440 1.00 22.23 H new ATOM 0 HD22 LEU A 423 -1.828 -15.851 -10.144 1.00 22.23 H new ATOM 0 HD23 LEU A 423 -0.827 -16.078 -11.598 1.00 22.23 H new ATOM 668 N THR A 424 -0.127 -11.640 -12.368 1.00 34.51 N ATOM 669 CA THR A 424 -0.446 -10.192 -12.439 1.00 10.23 C ATOM 670 C THR A 424 -1.920 -9.982 -12.039 1.00 43.44 C ATOM 671 O THR A 424 -2.832 -10.395 -12.765 1.00 43.11 O ATOM 672 CB THR A 424 -0.194 -9.590 -13.869 1.00 64.41 C ATOM 673 OG1 THR A 424 1.160 -9.856 -14.284 1.00 21.21 O ATOM 674 CG2 THR A 424 -0.443 -8.060 -13.913 1.00 3.35 C ATOM 0 H THR A 424 -0.436 -12.170 -13.183 1.00 34.51 H new ATOM 0 HA THR A 424 0.218 -9.670 -11.750 1.00 10.23 H new ATOM 0 HB THR A 424 -0.901 -10.069 -14.547 1.00 64.41 H new ATOM 0 HG1 THR A 424 1.309 -9.479 -15.176 1.00 21.21 H new ATOM 0 HG21 THR A 424 -0.256 -7.690 -14.921 1.00 3.35 H new ATOM 0 HG22 THR A 424 -1.476 -7.851 -13.636 1.00 3.35 H new ATOM 0 HG23 THR A 424 0.228 -7.562 -13.213 1.00 3.35 H new ATOM 682 N ARG A 425 -2.140 -9.351 -10.878 1.00 63.43 N ATOM 683 CA ARG A 425 -3.495 -9.183 -10.288 1.00 74.34 C ATOM 684 C ARG A 425 -3.916 -7.684 -10.268 1.00 51.22 C ATOM 685 O ARG A 425 -3.071 -6.797 -10.111 1.00 3.33 O ATOM 686 CB ARG A 425 -3.519 -9.779 -8.851 1.00 22.12 C ATOM 687 CG ARG A 425 -4.942 -10.058 -8.289 1.00 12.24 C ATOM 688 CD ARG A 425 -5.485 -11.449 -8.681 1.00 11.34 C ATOM 689 NE ARG A 425 -4.769 -12.516 -7.973 1.00 21.14 N ATOM 690 CZ ARG A 425 -5.227 -13.713 -7.689 1.00 61.32 C ATOM 691 NH1 ARG A 425 -6.404 -14.106 -8.070 1.00 54.21 N ATOM 692 NH2 ARG A 425 -4.475 -14.525 -7.021 1.00 11.30 N ATOM 0 H ARG A 425 -1.394 -8.941 -10.316 1.00 63.43 H new ATOM 0 HA ARG A 425 -4.213 -9.719 -10.908 1.00 74.34 H new ATOM 0 HB2 ARG A 425 -2.953 -10.710 -8.849 1.00 22.12 H new ATOM 0 HB3 ARG A 425 -3.005 -9.092 -8.178 1.00 22.12 H new ATOM 0 HG2 ARG A 425 -4.920 -9.976 -7.202 1.00 12.24 H new ATOM 0 HG3 ARG A 425 -5.627 -9.292 -8.652 1.00 12.24 H new ATOM 0 HD2 ARG A 425 -6.549 -11.506 -8.450 1.00 11.34 H new ATOM 0 HD3 ARG A 425 -5.385 -11.592 -9.757 1.00 11.34 H new ATOM 0 HE ARG A 425 -3.818 -12.306 -7.670 1.00 21.14 H new ATOM 0 HH11 ARG A 425 -7.002 -13.478 -8.606 1.00 54.21 H new ATOM 0 HH12 ARG A 425 -6.730 -15.043 -7.833 1.00 54.21 H new ATOM 0 HH21 ARG A 425 -3.544 -14.231 -6.725 1.00 11.30 H new ATOM 0 HH22 ARG A 425 -4.812 -15.460 -6.790 1.00 11.30 H new ATOM 706 N SER A 426 -5.238 -7.427 -10.404 1.00 34.23 N ATOM 707 CA SER A 426 -5.805 -6.053 -10.484 1.00 1.34 C ATOM 708 C SER A 426 -7.253 -6.004 -9.929 1.00 31.55 C ATOM 709 O SER A 426 -8.081 -6.853 -10.272 1.00 42.12 O ATOM 710 CB SER A 426 -5.780 -5.541 -11.947 1.00 43.14 C ATOM 711 OG SER A 426 -6.530 -6.380 -12.821 1.00 71.02 O ATOM 0 H SER A 426 -5.943 -8.162 -10.462 1.00 34.23 H new ATOM 0 HA SER A 426 -5.184 -5.403 -9.868 1.00 1.34 H new ATOM 0 HB2 SER A 426 -6.182 -4.529 -11.983 1.00 43.14 H new ATOM 0 HB3 SER A 426 -4.748 -5.487 -12.294 1.00 43.14 H new ATOM 0 HG SER A 426 -6.490 -6.022 -13.732 1.00 71.02 H new ATOM 717 N LEU A 427 -7.554 -4.989 -9.090 1.00 2.21 N ATOM 718 CA LEU A 427 -8.858 -4.871 -8.372 1.00 62.12 C ATOM 719 C LEU A 427 -9.286 -3.388 -8.214 1.00 23.42 C ATOM 720 O LEU A 427 -8.450 -2.547 -7.883 1.00 20.22 O ATOM 721 CB LEU A 427 -8.741 -5.548 -6.978 1.00 3.11 C ATOM 722 CG LEU A 427 -8.891 -7.109 -6.970 1.00 74.34 C ATOM 723 CD1 LEU A 427 -8.036 -7.744 -5.872 1.00 11.34 C ATOM 724 CD2 LEU A 427 -10.375 -7.521 -6.825 1.00 63.23 C ATOM 0 H LEU A 427 -6.907 -4.227 -8.887 1.00 2.21 H new ATOM 0 HA LEU A 427 -9.624 -5.374 -8.962 1.00 62.12 H new ATOM 0 HB2 LEU A 427 -7.772 -5.291 -6.549 1.00 3.11 H new ATOM 0 HB3 LEU A 427 -9.502 -5.124 -6.323 1.00 3.11 H new ATOM 0 HG LEU A 427 -8.529 -7.482 -7.928 1.00 74.34 H new ATOM 0 HD11 LEU A 427 -8.162 -8.826 -5.893 1.00 11.34 H new ATOM 0 HD12 LEU A 427 -6.987 -7.498 -6.039 1.00 11.34 H new ATOM 0 HD13 LEU A 427 -8.348 -7.361 -4.900 1.00 11.34 H new ATOM 0 HD21 LEU A 427 -10.452 -8.608 -6.822 1.00 63.23 H new ATOM 0 HD22 LEU A 427 -10.772 -7.127 -5.890 1.00 63.23 H new ATOM 0 HD23 LEU A 427 -10.948 -7.119 -7.661 1.00 63.23 H new ATOM 736 N PRO A 428 -10.605 -3.048 -8.428 1.00 62.12 N ATOM 737 CA PRO A 428 -11.097 -1.644 -8.332 1.00 12.23 C ATOM 738 C PRO A 428 -11.041 -1.091 -6.876 1.00 23.34 C ATOM 739 O PRO A 428 -11.896 -1.408 -6.039 1.00 22.01 O ATOM 740 CB PRO A 428 -12.552 -1.736 -8.876 1.00 73.31 C ATOM 741 CG PRO A 428 -12.965 -3.152 -8.590 1.00 51.34 C ATOM 742 CD PRO A 428 -11.712 -3.989 -8.774 1.00 53.22 C ATOM 0 HA PRO A 428 -10.480 -0.944 -8.896 1.00 12.23 H new ATOM 0 HB2 PRO A 428 -13.209 -1.022 -8.379 1.00 73.31 H new ATOM 0 HB3 PRO A 428 -12.593 -1.517 -9.943 1.00 73.31 H new ATOM 0 HG2 PRO A 428 -13.356 -3.249 -7.577 1.00 51.34 H new ATOM 0 HG3 PRO A 428 -13.755 -3.474 -9.269 1.00 51.34 H new ATOM 0 HD2 PRO A 428 -11.714 -4.862 -8.122 1.00 53.22 H new ATOM 0 HD3 PRO A 428 -11.622 -4.355 -9.797 1.00 53.22 H new ATOM 750 N CYS A 429 -10.019 -0.259 -6.598 1.00 43.22 N ATOM 751 CA CYS A 429 -9.774 0.310 -5.253 1.00 11.24 C ATOM 752 C CYS A 429 -10.184 1.791 -5.209 1.00 54.54 C ATOM 753 O CYS A 429 -10.048 2.522 -6.196 1.00 72.15 O ATOM 754 CB CYS A 429 -8.282 0.184 -4.873 1.00 53.23 C ATOM 755 SG CYS A 429 -7.157 1.137 -5.920 1.00 74.15 S ATOM 0 H CYS A 429 -9.339 0.039 -7.297 1.00 43.22 H new ATOM 0 HA CYS A 429 -10.376 -0.251 -4.538 1.00 11.24 H new ATOM 0 HB2 CYS A 429 -8.155 0.505 -3.839 1.00 53.23 H new ATOM 0 HB3 CYS A 429 -7.997 -0.867 -4.918 1.00 53.23 H new ATOM 0 HG CYS A 429 -6.030 1.315 -5.297 1.00 74.15 H new ATOM 761 N GLN A 430 -10.698 2.224 -4.050 1.00 44.23 N ATOM 762 CA GLN A 430 -11.186 3.600 -3.833 1.00 21.32 C ATOM 763 C GLN A 430 -10.480 4.228 -2.605 1.00 34.51 C ATOM 764 O GLN A 430 -10.486 3.640 -1.524 1.00 33.22 O ATOM 765 CB GLN A 430 -12.725 3.576 -3.617 1.00 5.42 C ATOM 766 CG GLN A 430 -13.551 3.035 -4.807 1.00 35.53 C ATOM 767 CD GLN A 430 -15.069 3.063 -4.566 1.00 32.01 C ATOM 768 OE1 GLN A 430 -15.589 3.914 -3.856 1.00 43.53 O ATOM 769 NE2 GLN A 430 -15.793 2.135 -5.164 1.00 51.31 N ATOM 0 H GLN A 430 -10.789 1.627 -3.228 1.00 44.23 H new ATOM 0 HA GLN A 430 -10.958 4.206 -4.710 1.00 21.32 H new ATOM 0 HB2 GLN A 430 -12.943 2.968 -2.739 1.00 5.42 H new ATOM 0 HB3 GLN A 430 -13.060 4.589 -3.394 1.00 5.42 H new ATOM 0 HG2 GLN A 430 -13.322 3.624 -5.695 1.00 35.53 H new ATOM 0 HG3 GLN A 430 -13.244 2.010 -5.016 1.00 35.53 H new ATOM 0 HE21 GLN A 430 -15.340 1.435 -5.752 1.00 51.31 H new ATOM 0 HE22 GLN A 430 -16.805 2.118 -5.038 1.00 51.31 H new ATOM 778 N VAL A 431 -9.860 5.414 -2.785 1.00 51.21 N ATOM 779 CA VAL A 431 -9.210 6.166 -1.680 1.00 23.21 C ATOM 780 C VAL A 431 -10.193 7.181 -1.051 1.00 31.52 C ATOM 781 O VAL A 431 -10.861 7.941 -1.765 1.00 62.42 O ATOM 782 CB VAL A 431 -7.923 6.925 -2.168 1.00 20.54 C ATOM 783 CG1 VAL A 431 -7.223 7.686 -0.997 1.00 34.32 C ATOM 784 CG2 VAL A 431 -6.945 5.946 -2.858 1.00 62.41 C ATOM 0 H VAL A 431 -9.794 5.878 -3.691 1.00 51.21 H new ATOM 0 HA VAL A 431 -8.915 5.432 -0.930 1.00 23.21 H new ATOM 0 HB VAL A 431 -8.234 7.673 -2.898 1.00 20.54 H new ATOM 0 HG11 VAL A 431 -6.338 8.198 -1.374 1.00 34.32 H new ATOM 0 HG12 VAL A 431 -7.913 8.417 -0.574 1.00 34.32 H new ATOM 0 HG13 VAL A 431 -6.930 6.975 -0.225 1.00 34.32 H new ATOM 0 HG21 VAL A 431 -6.060 6.489 -3.189 1.00 62.41 H new ATOM 0 HG22 VAL A 431 -6.651 5.168 -2.153 1.00 62.41 H new ATOM 0 HG23 VAL A 431 -7.434 5.490 -3.719 1.00 62.41 H new ATOM 794 N TYR A 432 -10.264 7.178 0.291 1.00 5.41 N ATOM 795 CA TYR A 432 -11.177 8.043 1.067 1.00 21.32 C ATOM 796 C TYR A 432 -10.403 9.052 1.938 1.00 75.21 C ATOM 797 O TYR A 432 -9.423 8.693 2.609 1.00 31.24 O ATOM 798 CB TYR A 432 -12.096 7.174 1.965 1.00 5.13 C ATOM 799 CG TYR A 432 -13.093 6.309 1.186 1.00 13.10 C ATOM 800 CD1 TYR A 432 -12.658 5.205 0.469 1.00 14.01 C ATOM 801 CD2 TYR A 432 -14.456 6.607 1.148 1.00 73.22 C ATOM 802 CE1 TYR A 432 -13.530 4.438 -0.251 1.00 42.42 C ATOM 803 CE2 TYR A 432 -15.340 5.831 0.420 1.00 21.35 C ATOM 804 CZ TYR A 432 -14.862 4.744 -0.280 1.00 30.14 C ATOM 805 OH TYR A 432 -15.716 3.948 -0.998 1.00 34.30 O ATOM 0 H TYR A 432 -9.687 6.572 0.874 1.00 5.41 H new ATOM 0 HA TYR A 432 -11.782 8.606 0.357 1.00 21.32 H new ATOM 0 HB2 TYR A 432 -11.475 6.526 2.584 1.00 5.13 H new ATOM 0 HB3 TYR A 432 -12.648 7.827 2.641 1.00 5.13 H new ATOM 0 HD1 TYR A 432 -11.610 4.946 0.480 1.00 14.01 H new ATOM 0 HD2 TYR A 432 -14.828 7.459 1.697 1.00 73.22 H new ATOM 0 HE1 TYR A 432 -13.164 3.584 -0.801 1.00 42.42 H new ATOM 0 HE2 TYR A 432 -16.392 6.074 0.400 1.00 21.35 H new ATOM 0 HH TYR A 432 -15.538 4.058 -1.955 1.00 34.30 H new ATOM 815 N VAL A 433 -10.868 10.313 1.922 1.00 54.24 N ATOM 816 CA VAL A 433 -10.351 11.390 2.794 1.00 15.11 C ATOM 817 C VAL A 433 -11.391 11.762 3.874 1.00 34.24 C ATOM 818 O VAL A 433 -12.513 11.236 3.885 1.00 3.42 O ATOM 819 CB VAL A 433 -9.974 12.674 1.968 1.00 35.54 C ATOM 820 CG1 VAL A 433 -8.846 12.371 0.956 1.00 24.34 C ATOM 821 CG2 VAL A 433 -11.218 13.298 1.271 1.00 23.04 C ATOM 0 H VAL A 433 -11.617 10.619 1.301 1.00 54.24 H new ATOM 0 HA VAL A 433 -9.448 11.011 3.273 1.00 15.11 H new ATOM 0 HB VAL A 433 -9.598 13.418 2.670 1.00 35.54 H new ATOM 0 HG11 VAL A 433 -8.605 13.276 0.398 1.00 24.34 H new ATOM 0 HG12 VAL A 433 -7.960 12.027 1.490 1.00 24.34 H new ATOM 0 HG13 VAL A 433 -9.176 11.596 0.265 1.00 24.34 H new ATOM 0 HG21 VAL A 433 -10.916 14.183 0.711 1.00 23.04 H new ATOM 0 HG22 VAL A 433 -11.657 12.569 0.589 1.00 23.04 H new ATOM 0 HG23 VAL A 433 -11.954 13.580 2.024 1.00 23.04 H new ATOM 831 N ASN A 434 -11.026 12.712 4.751 1.00 51.11 N ATOM 832 CA ASN A 434 -11.921 13.222 5.815 1.00 10.03 C ATOM 833 C ASN A 434 -12.868 14.337 5.270 1.00 53.33 C ATOM 834 O ASN A 434 -12.970 15.422 5.852 1.00 60.41 O ATOM 835 CB ASN A 434 -11.059 13.748 6.993 1.00 54.23 C ATOM 836 CG ASN A 434 -10.094 12.701 7.568 1.00 43.23 C ATOM 837 OD1 ASN A 434 -10.340 11.497 7.513 1.00 52.12 O ATOM 838 ND2 ASN A 434 -8.993 13.155 8.139 1.00 25.42 N ATOM 0 H ASN A 434 -10.105 13.150 4.746 1.00 51.11 H new ATOM 0 HA ASN A 434 -12.555 12.409 6.169 1.00 10.03 H new ATOM 0 HB2 ASN A 434 -10.485 14.611 6.655 1.00 54.23 H new ATOM 0 HB3 ASN A 434 -11.719 14.096 7.788 1.00 54.23 H new ATOM 0 HD21 ASN A 434 -8.324 12.502 8.547 1.00 25.42 H new ATOM 0 HD22 ASN A 434 -8.812 14.158 8.172 1.00 25.42 H new ATOM 884 N ASN A 438 -7.404 18.775 1.939 1.00 0.45 N ATOM 885 CA ASN A 438 -6.560 19.440 0.912 1.00 55.33 C ATOM 886 C ASN A 438 -5.700 18.431 0.089 1.00 13.13 C ATOM 887 O ASN A 438 -4.840 18.852 -0.698 1.00 31.13 O ATOM 888 CB ASN A 438 -5.634 20.475 1.609 1.00 11.14 C ATOM 889 CG ASN A 438 -6.391 21.580 2.360 1.00 43.10 C ATOM 890 OD1 ASN A 438 -5.939 22.053 3.398 1.00 41.42 O ATOM 891 ND2 ASN A 438 -7.523 22.031 1.835 1.00 0.43 N ATOM 0 HA ASN A 438 -7.228 19.934 0.206 1.00 55.33 H new ATOM 0 HB2 ASN A 438 -4.984 19.952 2.311 1.00 11.14 H new ATOM 0 HB3 ASN A 438 -4.990 20.934 0.859 1.00 11.14 H new ATOM 0 HD21 ASN A 438 -8.034 22.784 2.295 1.00 0.43 H new ATOM 0 HD22 ASN A 438 -7.882 21.624 0.971 1.00 0.43 H new ATOM 898 N LEU A 439 -5.927 17.110 0.288 1.00 12.22 N ATOM 899 CA LEU A 439 -5.215 16.036 -0.456 1.00 3.24 C ATOM 900 C LEU A 439 -5.554 16.101 -1.966 1.00 72.10 C ATOM 901 O LEU A 439 -6.723 15.958 -2.348 1.00 14.42 O ATOM 902 CB LEU A 439 -5.588 14.641 0.126 1.00 61.21 C ATOM 903 CG LEU A 439 -4.755 13.430 -0.409 1.00 23.30 C ATOM 904 CD1 LEU A 439 -3.257 13.599 -0.075 1.00 32.24 C ATOM 905 CD2 LEU A 439 -5.297 12.082 0.127 1.00 75.31 C ATOM 0 H LEU A 439 -6.604 16.758 0.964 1.00 12.22 H new ATOM 0 HA LEU A 439 -4.142 16.187 -0.340 1.00 3.24 H new ATOM 0 HB2 LEU A 439 -5.479 14.681 1.210 1.00 61.21 H new ATOM 0 HB3 LEU A 439 -6.641 14.452 -0.082 1.00 61.21 H new ATOM 0 HG LEU A 439 -4.860 13.414 -1.494 1.00 23.30 H new ATOM 0 HD11 LEU A 439 -2.700 12.744 -0.458 1.00 32.24 H new ATOM 0 HD12 LEU A 439 -2.882 14.512 -0.537 1.00 32.24 H new ATOM 0 HD13 LEU A 439 -3.130 13.660 1.006 1.00 32.24 H new ATOM 0 HD21 LEU A 439 -4.693 11.265 -0.266 1.00 75.31 H new ATOM 0 HD22 LEU A 439 -5.249 12.078 1.216 1.00 75.31 H new ATOM 0 HD23 LEU A 439 -6.332 11.954 -0.191 1.00 75.31 H new ATOM 917 N LYS A 440 -4.523 16.311 -2.813 1.00 43.40 N ATOM 918 CA LYS A 440 -4.721 16.594 -4.251 1.00 15.03 C ATOM 919 C LYS A 440 -4.769 15.313 -5.090 1.00 71.51 C ATOM 920 O LYS A 440 -3.792 14.899 -5.726 1.00 42.42 O ATOM 921 CB LYS A 440 -3.658 17.591 -4.758 1.00 3.54 C ATOM 922 CG LYS A 440 -3.648 18.963 -4.028 1.00 41.21 C ATOM 923 CD LYS A 440 -4.794 19.951 -4.432 1.00 41.23 C ATOM 924 CE LYS A 440 -6.189 19.585 -3.879 1.00 61.30 C ATOM 925 NZ LYS A 440 -7.228 20.561 -4.272 1.00 14.43 N ATOM 0 H LYS A 440 -3.545 16.290 -2.525 1.00 43.40 H new ATOM 0 HA LYS A 440 -5.697 17.064 -4.370 1.00 15.03 H new ATOM 0 HB2 LYS A 440 -2.674 17.134 -4.655 1.00 3.54 H new ATOM 0 HB3 LYS A 440 -3.820 17.763 -5.822 1.00 3.54 H new ATOM 0 HG2 LYS A 440 -3.708 18.784 -2.954 1.00 41.21 H new ATOM 0 HG3 LYS A 440 -2.690 19.448 -4.217 1.00 41.21 H new ATOM 0 HD2 LYS A 440 -4.532 20.951 -4.085 1.00 41.23 H new ATOM 0 HD3 LYS A 440 -4.850 19.995 -5.520 1.00 41.23 H new ATOM 0 HE2 LYS A 440 -6.470 18.595 -4.238 1.00 61.30 H new ATOM 0 HE3 LYS A 440 -6.142 19.528 -2.792 1.00 61.30 H new ATOM 0 HZ1 LYS A 440 -8.080 20.412 -3.695 1.00 14.43 H new ATOM 0 HZ2 LYS A 440 -6.872 21.527 -4.121 1.00 14.43 H new ATOM 0 HZ3 LYS A 440 -7.463 20.432 -5.277 1.00 14.43 H new ATOM 939 N THR A 441 -5.964 14.726 -5.072 1.00 42.40 N ATOM 940 CA THR A 441 -6.300 13.486 -5.808 1.00 33.30 C ATOM 941 C THR A 441 -6.524 13.753 -7.317 1.00 23.42 C ATOM 942 O THR A 441 -6.675 12.812 -8.104 1.00 41.23 O ATOM 943 CB THR A 441 -7.559 12.776 -5.203 1.00 63.31 C ATOM 944 OG1 THR A 441 -8.698 13.658 -5.252 1.00 32.33 O ATOM 945 CG2 THR A 441 -7.316 12.338 -3.746 1.00 32.01 C ATOM 0 H THR A 441 -6.749 15.098 -4.538 1.00 42.40 H new ATOM 0 HA THR A 441 -5.441 12.823 -5.699 1.00 33.30 H new ATOM 0 HB THR A 441 -7.754 11.886 -5.802 1.00 63.31 H new ATOM 0 HG1 THR A 441 -9.522 13.128 -5.278 1.00 32.33 H new ATOM 0 HG21 THR A 441 -8.210 11.849 -3.359 1.00 32.01 H new ATOM 0 HG22 THR A 441 -6.478 11.642 -3.710 1.00 32.01 H new ATOM 0 HG23 THR A 441 -7.088 13.212 -3.136 1.00 32.01 H new ATOM 953 N GLU A 442 -6.553 15.052 -7.693 1.00 73.32 N ATOM 954 CA GLU A 442 -6.525 15.515 -9.104 1.00 64.45 C ATOM 955 C GLU A 442 -5.337 14.925 -9.876 1.00 2.22 C ATOM 956 O GLU A 442 -5.488 14.394 -10.979 1.00 64.04 O ATOM 957 CB GLU A 442 -6.398 17.069 -9.176 1.00 65.33 C ATOM 958 CG GLU A 442 -7.631 17.865 -8.708 1.00 20.25 C ATOM 959 CD GLU A 442 -7.531 18.367 -7.253 1.00 13.45 C ATOM 960 OE1 GLU A 442 -7.669 17.548 -6.313 1.00 44.41 O ATOM 961 OE2 GLU A 442 -7.282 19.576 -7.048 1.00 60.24 O ATOM 0 H GLU A 442 -6.597 15.818 -7.021 1.00 73.32 H new ATOM 0 HA GLU A 442 -7.460 15.180 -9.552 1.00 64.45 H new ATOM 0 HB2 GLU A 442 -5.542 17.373 -8.573 1.00 65.33 H new ATOM 0 HB3 GLU A 442 -6.178 17.349 -10.206 1.00 65.33 H new ATOM 0 HG2 GLU A 442 -7.772 18.720 -9.369 1.00 20.25 H new ATOM 0 HG3 GLU A 442 -8.516 17.237 -8.806 1.00 20.25 H new ATOM 968 N GLN A 443 -4.155 15.033 -9.254 1.00 3.25 N ATOM 969 CA GLN A 443 -2.869 14.741 -9.908 1.00 14.21 C ATOM 970 C GLN A 443 -2.607 13.213 -10.042 1.00 3.55 C ATOM 971 O GLN A 443 -1.677 12.790 -10.738 1.00 63.03 O ATOM 972 CB GLN A 443 -1.723 15.401 -9.108 1.00 72.20 C ATOM 973 CG GLN A 443 -1.917 16.905 -8.838 1.00 41.54 C ATOM 974 CD GLN A 443 -0.757 17.522 -8.063 1.00 11.42 C ATOM 975 OE1 GLN A 443 0.191 18.032 -8.644 1.00 13.23 O ATOM 976 NE2 GLN A 443 -0.802 17.448 -6.750 1.00 52.10 N ATOM 0 H GLN A 443 -4.062 15.326 -8.281 1.00 3.25 H new ATOM 0 HA GLN A 443 -2.911 15.152 -10.917 1.00 14.21 H new ATOM 0 HB2 GLN A 443 -1.618 14.884 -8.154 1.00 72.20 H new ATOM 0 HB3 GLN A 443 -0.789 15.260 -9.652 1.00 72.20 H new ATOM 0 HG2 GLN A 443 -2.032 17.428 -9.787 1.00 41.54 H new ATOM 0 HG3 GLN A 443 -2.841 17.053 -8.279 1.00 41.54 H new ATOM 0 HE21 GLN A 443 -1.605 17.018 -6.291 1.00 52.10 H new ATOM 0 HE22 GLN A 443 -0.034 17.821 -6.192 1.00 52.10 H new ATOM 985 N TRP A 444 -3.433 12.409 -9.351 1.00 63.32 N ATOM 986 CA TRP A 444 -3.307 10.935 -9.303 1.00 14.52 C ATOM 987 C TRP A 444 -3.831 10.288 -10.617 1.00 70.14 C ATOM 988 O TRP A 444 -4.777 10.811 -11.226 1.00 31.52 O ATOM 989 CB TRP A 444 -4.098 10.378 -8.085 1.00 32.13 C ATOM 990 CG TRP A 444 -3.645 10.868 -6.720 1.00 2.14 C ATOM 991 CD1 TRP A 444 -2.813 11.918 -6.420 1.00 34.10 C ATOM 992 CD2 TRP A 444 -4.031 10.309 -5.459 1.00 31.02 C ATOM 993 NE1 TRP A 444 -2.681 12.047 -5.064 1.00 14.33 N ATOM 994 CE2 TRP A 444 -3.413 11.068 -4.453 1.00 3.12 C ATOM 995 CE3 TRP A 444 -4.847 9.239 -5.093 1.00 43.01 C ATOM 996 CZ2 TRP A 444 -3.587 10.790 -3.103 1.00 21.21 C ATOM 997 CZ3 TRP A 444 -5.014 8.965 -3.753 1.00 11.11 C ATOM 998 CH2 TRP A 444 -4.388 9.736 -2.770 1.00 45.44 C ATOM 0 H TRP A 444 -4.217 12.764 -8.803 1.00 63.32 H new ATOM 0 HA TRP A 444 -2.252 10.683 -9.196 1.00 14.52 H new ATOM 0 HB2 TRP A 444 -5.150 10.635 -8.211 1.00 32.13 H new ATOM 0 HB3 TRP A 444 -4.031 9.290 -8.100 1.00 32.13 H new ATOM 0 HD1 TRP A 444 -2.331 12.552 -7.150 1.00 34.10 H new ATOM 0 HE1 TRP A 444 -2.127 12.758 -4.587 1.00 14.33 H new ATOM 0 HE3 TRP A 444 -5.338 8.638 -5.844 1.00 43.01 H new ATOM 0 HZ2 TRP A 444 -3.105 11.387 -2.343 1.00 21.21 H new ATOM 0 HZ3 TRP A 444 -5.641 8.138 -3.456 1.00 11.11 H new ATOM 0 HH2 TRP A 444 -4.541 9.494 -1.729 1.00 45.44 H new ATOM 1009 N PRO A 445 -3.243 9.126 -11.069 1.00 24.21 N ATOM 1010 CA PRO A 445 -3.659 8.440 -12.323 1.00 51.12 C ATOM 1011 C PRO A 445 -4.987 7.648 -12.161 1.00 23.24 C ATOM 1012 O PRO A 445 -5.592 7.660 -11.094 1.00 61.31 O ATOM 1013 CB PRO A 445 -2.457 7.489 -12.638 1.00 14.44 C ATOM 1014 CG PRO A 445 -1.431 7.719 -11.553 1.00 21.41 C ATOM 1015 CD PRO A 445 -2.155 8.372 -10.398 1.00 53.34 C ATOM 0 HA PRO A 445 -3.867 9.147 -13.126 1.00 51.12 H new ATOM 0 HB2 PRO A 445 -2.780 6.448 -12.652 1.00 14.44 H new ATOM 0 HB3 PRO A 445 -2.038 7.706 -13.620 1.00 14.44 H new ATOM 0 HG2 PRO A 445 -0.979 6.777 -11.243 1.00 21.41 H new ATOM 0 HG3 PRO A 445 -0.624 8.357 -11.913 1.00 21.41 H new ATOM 0 HD2 PRO A 445 -2.547 7.634 -9.699 1.00 53.34 H new ATOM 0 HD3 PRO A 445 -1.498 9.031 -9.831 1.00 53.34 H new ATOM 1023 N GLN A 446 -5.436 6.959 -13.237 1.00 61.32 N ATOM 1024 CA GLN A 446 -6.609 6.047 -13.166 1.00 55.43 C ATOM 1025 C GLN A 446 -6.223 4.719 -12.459 1.00 72.24 C ATOM 1026 O GLN A 446 -7.064 4.044 -11.854 1.00 73.41 O ATOM 1027 CB GLN A 446 -7.179 5.749 -14.591 1.00 62.53 C ATOM 1028 CG GLN A 446 -6.247 4.915 -15.508 1.00 44.45 C ATOM 1029 CD GLN A 446 -6.896 4.505 -16.833 1.00 2.24 C ATOM 1030 OE1 GLN A 446 -6.783 5.193 -17.841 1.00 74.55 O ATOM 1031 NE2 GLN A 446 -7.606 3.392 -16.834 1.00 32.44 N ATOM 0 H GLN A 446 -5.008 7.015 -14.161 1.00 61.32 H new ATOM 0 HA GLN A 446 -7.385 6.546 -12.585 1.00 55.43 H new ATOM 0 HB2 GLN A 446 -8.126 5.220 -14.484 1.00 62.53 H new ATOM 0 HB3 GLN A 446 -7.397 6.696 -15.084 1.00 62.53 H new ATOM 0 HG2 GLN A 446 -5.346 5.492 -15.718 1.00 44.45 H new ATOM 0 HG3 GLN A 446 -5.934 4.018 -14.974 1.00 44.45 H new ATOM 0 HE21 GLN A 446 -7.685 2.837 -15.982 1.00 32.44 H new ATOM 0 HE22 GLN A 446 -8.076 3.087 -17.687 1.00 32.44 H new ATOM 1040 N LYS A 447 -4.931 4.363 -12.568 1.00 62.51 N ATOM 1041 CA LYS A 447 -4.364 3.118 -12.025 1.00 65.15 C ATOM 1042 C LYS A 447 -3.292 3.437 -10.964 1.00 22.31 C ATOM 1043 O LYS A 447 -2.491 4.361 -11.139 1.00 15.54 O ATOM 1044 CB LYS A 447 -3.728 2.294 -13.178 1.00 13.54 C ATOM 1045 CG LYS A 447 -3.100 0.949 -12.743 1.00 44.12 C ATOM 1046 CD LYS A 447 -2.365 0.221 -13.887 1.00 24.22 C ATOM 1047 CE LYS A 447 -3.279 -0.144 -15.069 1.00 42.22 C ATOM 1048 NZ LYS A 447 -2.562 -0.956 -16.089 1.00 22.30 N ATOM 0 H LYS A 447 -4.240 4.943 -13.044 1.00 62.51 H new ATOM 0 HA LYS A 447 -5.161 2.540 -11.557 1.00 65.15 H new ATOM 0 HB2 LYS A 447 -4.493 2.096 -13.929 1.00 13.54 H new ATOM 0 HB3 LYS A 447 -2.959 2.900 -13.658 1.00 13.54 H new ATOM 0 HG2 LYS A 447 -2.400 1.130 -11.927 1.00 44.12 H new ATOM 0 HG3 LYS A 447 -3.883 0.300 -12.352 1.00 44.12 H new ATOM 0 HD2 LYS A 447 -1.554 0.853 -14.247 1.00 24.22 H new ATOM 0 HD3 LYS A 447 -1.910 -0.689 -13.495 1.00 24.22 H new ATOM 0 HE2 LYS A 447 -4.143 -0.699 -14.703 1.00 42.22 H new ATOM 0 HE3 LYS A 447 -3.658 0.768 -15.531 1.00 42.22 H new ATOM 0 HZ1 LYS A 447 -3.210 -1.183 -16.870 1.00 22.30 H new ATOM 0 HZ2 LYS A 447 -1.752 -0.416 -16.456 1.00 22.30 H new ATOM 0 HZ3 LYS A 447 -2.222 -1.837 -15.654 1.00 22.30 H new ATOM 1062 N LEU A 448 -3.287 2.661 -9.872 1.00 11.32 N ATOM 1063 CA LEU A 448 -2.221 2.726 -8.842 1.00 30.01 C ATOM 1064 C LEU A 448 -1.366 1.449 -8.883 1.00 5.25 C ATOM 1065 O LEU A 448 -1.848 0.360 -8.568 1.00 52.44 O ATOM 1066 CB LEU A 448 -2.817 2.935 -7.420 1.00 43.21 C ATOM 1067 CG LEU A 448 -3.527 4.300 -7.161 1.00 33.51 C ATOM 1068 CD1 LEU A 448 -3.923 4.463 -5.675 1.00 4.31 C ATOM 1069 CD2 LEU A 448 -2.676 5.490 -7.657 1.00 20.15 C ATOM 0 H LEU A 448 -4.012 1.973 -9.671 1.00 11.32 H new ATOM 0 HA LEU A 448 -1.588 3.585 -9.066 1.00 30.01 H new ATOM 0 HB2 LEU A 448 -3.533 2.135 -7.228 1.00 43.21 H new ATOM 0 HB3 LEU A 448 -2.013 2.824 -6.692 1.00 43.21 H new ATOM 0 HG LEU A 448 -4.448 4.299 -7.743 1.00 33.51 H new ATOM 0 HD11 LEU A 448 -4.415 5.425 -5.533 1.00 4.31 H new ATOM 0 HD12 LEU A 448 -4.605 3.662 -5.390 1.00 4.31 H new ATOM 0 HD13 LEU A 448 -3.029 4.417 -5.053 1.00 4.31 H new ATOM 0 HD21 LEU A 448 -3.204 6.423 -7.459 1.00 20.15 H new ATOM 0 HD22 LEU A 448 -1.720 5.496 -7.134 1.00 20.15 H new ATOM 0 HD23 LEU A 448 -2.503 5.392 -8.729 1.00 20.15 H new ATOM 1081 N ILE A 449 -0.094 1.592 -9.287 1.00 72.35 N ATOM 1082 CA ILE A 449 0.856 0.464 -9.368 1.00 12.04 C ATOM 1083 C ILE A 449 1.484 0.226 -7.974 1.00 64.31 C ATOM 1084 O ILE A 449 2.099 1.125 -7.389 1.00 44.21 O ATOM 1085 CB ILE A 449 1.973 0.678 -10.473 1.00 40.33 C ATOM 1086 CG1 ILE A 449 1.346 0.714 -11.921 1.00 71.50 C ATOM 1087 CG2 ILE A 449 3.076 -0.420 -10.386 1.00 63.51 C ATOM 1088 CD1 ILE A 449 0.557 1.968 -12.285 1.00 3.53 C ATOM 0 H ILE A 449 0.307 2.487 -9.566 1.00 72.35 H new ATOM 0 HA ILE A 449 0.301 -0.422 -9.676 1.00 12.04 H new ATOM 0 HB ILE A 449 2.439 1.644 -10.278 1.00 40.33 H new ATOM 0 HG12 ILE A 449 2.151 0.594 -12.646 1.00 71.50 H new ATOM 0 HG13 ILE A 449 0.688 -0.148 -12.030 1.00 71.50 H new ATOM 0 HG21 ILE A 449 3.826 -0.244 -11.157 1.00 63.51 H new ATOM 0 HG22 ILE A 449 3.549 -0.384 -9.405 1.00 63.51 H new ATOM 0 HG23 ILE A 449 2.625 -1.401 -10.535 1.00 63.51 H new ATOM 0 HD11 ILE A 449 0.176 1.876 -13.302 1.00 3.53 H new ATOM 0 HD12 ILE A 449 -0.278 2.086 -11.594 1.00 3.53 H new ATOM 0 HD13 ILE A 449 1.208 2.840 -12.219 1.00 3.53 H new ATOM 1100 N MET A 450 1.310 -1.000 -7.464 1.00 45.43 N ATOM 1101 CA MET A 450 1.687 -1.395 -6.100 1.00 51.42 C ATOM 1102 C MET A 450 2.815 -2.456 -6.126 1.00 20.04 C ATOM 1103 O MET A 450 2.891 -3.275 -7.047 1.00 61.31 O ATOM 1104 CB MET A 450 0.410 -1.907 -5.372 1.00 31.53 C ATOM 1105 CG MET A 450 0.590 -2.223 -3.883 1.00 12.40 C ATOM 1106 SD MET A 450 1.120 -3.919 -3.579 1.00 72.13 S ATOM 1107 CE MET A 450 -0.449 -4.788 -3.616 1.00 74.31 C ATOM 0 H MET A 450 0.894 -1.762 -8.000 1.00 45.43 H new ATOM 0 HA MET A 450 2.087 -0.541 -5.553 1.00 51.42 H new ATOM 0 HB2 MET A 450 -0.373 -1.156 -5.476 1.00 31.53 H new ATOM 0 HB3 MET A 450 0.059 -2.806 -5.878 1.00 31.53 H new ATOM 0 HG2 MET A 450 1.324 -1.538 -3.458 1.00 12.40 H new ATOM 0 HG3 MET A 450 -0.351 -2.044 -3.363 1.00 12.40 H new ATOM 0 HE1 MET A 450 -0.285 -5.821 -3.921 1.00 74.31 H new ATOM 0 HE2 MET A 450 -0.898 -4.770 -2.623 1.00 74.31 H new ATOM 0 HE3 MET A 450 -1.118 -4.301 -4.326 1.00 74.31 H new ATOM 1117 N GLN A 451 3.683 -2.421 -5.106 1.00 53.21 N ATOM 1118 CA GLN A 451 4.894 -3.263 -5.021 1.00 62.23 C ATOM 1119 C GLN A 451 4.909 -4.060 -3.695 1.00 21.15 C ATOM 1120 O GLN A 451 4.987 -3.473 -2.613 1.00 25.50 O ATOM 1121 CB GLN A 451 6.135 -2.338 -5.120 1.00 52.30 C ATOM 1122 CG GLN A 451 7.497 -3.027 -4.915 1.00 22.34 C ATOM 1123 CD GLN A 451 8.649 -2.025 -4.908 1.00 52.41 C ATOM 1124 OE1 GLN A 451 8.909 -1.425 -3.763 1.00 63.21 O flip ATOM 1125 NE2 GLN A 451 9.268 -1.754 -5.928 1.00 33.11 N flip ATOM 0 H GLN A 451 3.567 -1.801 -4.304 1.00 53.21 H new ATOM 0 HA GLN A 451 4.905 -3.985 -5.837 1.00 62.23 H new ATOM 0 HB2 GLN A 451 6.133 -1.861 -6.100 1.00 52.30 H new ATOM 0 HB3 GLN A 451 6.034 -1.545 -4.379 1.00 52.30 H new ATOM 0 HG2 GLN A 451 7.488 -3.576 -3.973 1.00 22.34 H new ATOM 0 HG3 GLN A 451 7.657 -3.758 -5.708 1.00 22.34 H new ATOM 0 HE21 GLN A 451 9.047 -2.233 -6.801 1.00 33.11 H new ATOM 0 HE22 GLN A 451 10.005 -1.049 -5.905 1.00 33.11 H new ATOM 1134 N LEU A 452 4.839 -5.401 -3.790 1.00 51.20 N ATOM 1135 CA LEU A 452 4.861 -6.291 -2.609 1.00 31.22 C ATOM 1136 C LEU A 452 6.281 -6.389 -1.994 1.00 22.43 C ATOM 1137 O LEU A 452 7.189 -7.002 -2.568 1.00 74.44 O ATOM 1138 CB LEU A 452 4.325 -7.689 -3.001 1.00 11.42 C ATOM 1139 CG LEU A 452 2.822 -7.726 -3.420 1.00 23.31 C ATOM 1140 CD1 LEU A 452 2.424 -9.120 -3.932 1.00 52.42 C ATOM 1141 CD2 LEU A 452 1.906 -7.278 -2.250 1.00 32.11 C ATOM 0 H LEU A 452 4.766 -5.897 -4.678 1.00 51.20 H new ATOM 0 HA LEU A 452 4.213 -5.865 -1.843 1.00 31.22 H new ATOM 0 HB2 LEU A 452 4.926 -8.074 -3.825 1.00 11.42 H new ATOM 0 HB3 LEU A 452 4.468 -8.366 -2.159 1.00 11.42 H new ATOM 0 HG LEU A 452 2.687 -7.020 -4.239 1.00 23.31 H new ATOM 0 HD11 LEU A 452 1.372 -9.116 -4.217 1.00 52.42 H new ATOM 0 HD12 LEU A 452 3.033 -9.377 -4.798 1.00 52.42 H new ATOM 0 HD13 LEU A 452 2.584 -9.856 -3.144 1.00 52.42 H new ATOM 0 HD21 LEU A 452 0.864 -7.313 -2.569 1.00 32.11 H new ATOM 0 HD22 LEU A 452 2.048 -7.946 -1.400 1.00 32.11 H new ATOM 0 HD23 LEU A 452 2.162 -6.260 -1.957 1.00 32.11 H new ATOM 1153 N ILE A 453 6.451 -5.744 -0.829 1.00 43.24 N ATOM 1154 CA ILE A 453 7.701 -5.764 -0.034 1.00 12.42 C ATOM 1155 C ILE A 453 7.417 -6.365 1.366 1.00 32.02 C ATOM 1156 O ILE A 453 6.320 -6.169 1.909 1.00 4.34 O ATOM 1157 CB ILE A 453 8.342 -4.323 0.105 1.00 51.45 C ATOM 1158 CG1 ILE A 453 7.334 -3.298 0.726 1.00 40.00 C ATOM 1159 CG2 ILE A 453 8.883 -3.824 -1.259 1.00 30.45 C ATOM 1160 CD1 ILE A 453 7.922 -1.925 1.030 1.00 42.03 C ATOM 0 H ILE A 453 5.714 -5.183 -0.401 1.00 43.24 H new ATOM 0 HA ILE A 453 8.424 -6.386 -0.562 1.00 12.42 H new ATOM 0 HB ILE A 453 9.184 -4.403 0.793 1.00 51.45 H new ATOM 0 HG12 ILE A 453 6.495 -3.175 0.041 1.00 40.00 H new ATOM 0 HG13 ILE A 453 6.933 -3.718 1.648 1.00 40.00 H new ATOM 0 HG21 ILE A 453 9.318 -2.832 -1.137 1.00 30.45 H new ATOM 0 HG22 ILE A 453 9.646 -4.513 -1.622 1.00 30.45 H new ATOM 0 HG23 ILE A 453 8.066 -3.776 -1.979 1.00 30.45 H new ATOM 0 HD11 ILE A 453 7.150 -1.285 1.457 1.00 42.03 H new ATOM 0 HD12 ILE A 453 8.741 -2.029 1.742 1.00 42.03 H new ATOM 0 HD13 ILE A 453 8.296 -1.478 0.109 1.00 42.03 H new ATOM 1172 N PRO A 454 8.379 -7.144 1.959 1.00 43.34 N ATOM 1173 CA PRO A 454 8.192 -7.773 3.291 1.00 3.21 C ATOM 1174 C PRO A 454 7.997 -6.726 4.423 1.00 13.32 C ATOM 1175 O PRO A 454 8.867 -5.876 4.674 1.00 71.21 O ATOM 1176 CB PRO A 454 9.482 -8.615 3.486 1.00 13.20 C ATOM 1177 CG PRO A 454 10.488 -7.969 2.579 1.00 22.11 C ATOM 1178 CD PRO A 454 9.708 -7.483 1.382 1.00 73.25 C ATOM 0 HA PRO A 454 7.286 -8.378 3.338 1.00 3.21 H new ATOM 0 HB2 PRO A 454 9.814 -8.599 4.524 1.00 13.20 H new ATOM 0 HB3 PRO A 454 9.319 -9.659 3.220 1.00 13.20 H new ATOM 0 HG2 PRO A 454 10.992 -7.142 3.080 1.00 22.11 H new ATOM 0 HG3 PRO A 454 11.259 -8.679 2.281 1.00 22.11 H new ATOM 0 HD2 PRO A 454 10.179 -6.616 0.919 1.00 73.25 H new ATOM 0 HD3 PRO A 454 9.629 -8.252 0.613 1.00 73.25 H new ATOM 1186 N GLN A 455 6.839 -6.823 5.096 1.00 4.11 N ATOM 1187 CA GLN A 455 6.433 -5.924 6.202 1.00 73.33 C ATOM 1188 C GLN A 455 7.411 -6.013 7.420 1.00 34.41 C ATOM 1189 O GLN A 455 7.489 -5.091 8.241 1.00 75.02 O ATOM 1190 CB GLN A 455 4.976 -6.289 6.594 1.00 31.34 C ATOM 1191 CG GLN A 455 4.296 -5.339 7.597 1.00 34.52 C ATOM 1192 CD GLN A 455 2.848 -5.732 7.925 1.00 32.10 C ATOM 1193 OE1 GLN A 455 2.474 -6.901 7.864 1.00 5.25 O ATOM 1194 NE2 GLN A 455 2.037 -4.767 8.315 1.00 11.02 N ATOM 0 H GLN A 455 6.143 -7.539 4.887 1.00 4.11 H new ATOM 0 HA GLN A 455 6.479 -4.886 5.873 1.00 73.33 H new ATOM 0 HB2 GLN A 455 4.373 -6.322 5.687 1.00 31.34 H new ATOM 0 HB3 GLN A 455 4.974 -7.294 7.015 1.00 31.34 H new ATOM 0 HG2 GLN A 455 4.877 -5.320 8.519 1.00 34.52 H new ATOM 0 HG3 GLN A 455 4.307 -4.327 7.192 1.00 34.52 H new ATOM 0 HE21 GLN A 455 2.372 -3.805 8.357 1.00 11.02 H new ATOM 0 HE22 GLN A 455 1.075 -4.983 8.575 1.00 11.02 H new ATOM 1203 N GLN A 456 8.160 -7.135 7.491 1.00 32.42 N ATOM 1204 CA GLN A 456 9.257 -7.359 8.470 1.00 13.23 C ATOM 1205 C GLN A 456 10.312 -6.215 8.458 1.00 61.11 C ATOM 1206 O GLN A 456 10.672 -5.690 9.510 1.00 14.32 O ATOM 1207 CB GLN A 456 9.946 -8.717 8.152 1.00 71.03 C ATOM 1208 CG GLN A 456 11.158 -9.076 9.046 1.00 12.43 C ATOM 1209 CD GLN A 456 11.797 -10.429 8.697 1.00 41.20 C ATOM 1210 OE1 GLN A 456 11.122 -11.359 8.258 1.00 21.32 O ATOM 1211 NE2 GLN A 456 13.101 -10.552 8.877 1.00 63.41 N ATOM 0 H GLN A 456 8.021 -7.926 6.862 1.00 32.42 H new ATOM 0 HA GLN A 456 8.818 -7.374 9.467 1.00 13.23 H new ATOM 0 HB2 GLN A 456 9.204 -9.510 8.241 1.00 71.03 H new ATOM 0 HB3 GLN A 456 10.275 -8.703 7.113 1.00 71.03 H new ATOM 0 HG2 GLN A 456 11.911 -8.293 8.955 1.00 12.43 H new ATOM 0 HG3 GLN A 456 10.839 -9.092 10.088 1.00 12.43 H new ATOM 0 HE21 GLN A 456 13.642 -9.768 9.242 1.00 63.41 H new ATOM 0 HE22 GLN A 456 13.566 -11.431 8.651 1.00 63.41 H new ATOM 1220 N LEU A 457 10.782 -5.838 7.252 1.00 3.13 N ATOM 1221 CA LEU A 457 11.827 -4.790 7.073 1.00 32.11 C ATOM 1222 C LEU A 457 11.279 -3.368 7.380 1.00 51.14 C ATOM 1223 O LEU A 457 12.035 -2.460 7.742 1.00 14.43 O ATOM 1224 CB LEU A 457 12.380 -4.852 5.626 1.00 32.52 C ATOM 1225 CG LEU A 457 12.986 -6.221 5.179 1.00 41.53 C ATOM 1226 CD1 LEU A 457 13.441 -6.177 3.704 1.00 50.30 C ATOM 1227 CD2 LEU A 457 14.138 -6.652 6.113 1.00 61.05 C ATOM 0 H LEU A 457 10.455 -6.244 6.375 1.00 3.13 H new ATOM 0 HA LEU A 457 12.630 -4.988 7.783 1.00 32.11 H new ATOM 0 HB2 LEU A 457 11.574 -4.593 4.939 1.00 32.52 H new ATOM 0 HB3 LEU A 457 13.148 -4.086 5.519 1.00 32.52 H new ATOM 0 HG LEU A 457 12.201 -6.973 5.256 1.00 41.53 H new ATOM 0 HD11 LEU A 457 13.858 -7.144 3.423 1.00 50.30 H new ATOM 0 HD12 LEU A 457 12.586 -5.951 3.066 1.00 50.30 H new ATOM 0 HD13 LEU A 457 14.200 -5.405 3.580 1.00 50.30 H new ATOM 0 HD21 LEU A 457 14.540 -7.608 5.777 1.00 61.05 H new ATOM 0 HD22 LEU A 457 14.926 -5.899 6.091 1.00 61.05 H new ATOM 0 HD23 LEU A 457 13.762 -6.754 7.131 1.00 61.05 H new ATOM 1239 N LEU A 458 9.950 -3.205 7.244 1.00 45.02 N ATOM 1240 CA LEU A 458 9.248 -1.912 7.459 1.00 40.32 C ATOM 1241 C LEU A 458 9.097 -1.546 8.951 1.00 64.54 C ATOM 1242 O LEU A 458 8.862 -0.380 9.282 1.00 4.32 O ATOM 1243 CB LEU A 458 7.861 -1.964 6.793 1.00 62.42 C ATOM 1244 CG LEU A 458 7.880 -2.109 5.247 1.00 30.14 C ATOM 1245 CD1 LEU A 458 6.460 -2.246 4.702 1.00 23.04 C ATOM 1246 CD2 LEU A 458 8.615 -0.924 4.587 1.00 1.45 C ATOM 0 H LEU A 458 9.324 -3.966 6.981 1.00 45.02 H new ATOM 0 HA LEU A 458 9.862 -1.135 7.005 1.00 40.32 H new ATOM 0 HB2 LEU A 458 7.303 -2.800 7.214 1.00 62.42 H new ATOM 0 HB3 LEU A 458 7.316 -1.056 7.051 1.00 62.42 H new ATOM 0 HG LEU A 458 8.428 -3.018 4.999 1.00 30.14 H new ATOM 0 HD11 LEU A 458 6.495 -2.346 3.617 1.00 23.04 H new ATOM 0 HD12 LEU A 458 5.988 -3.129 5.133 1.00 23.04 H new ATOM 0 HD13 LEU A 458 5.882 -1.360 4.966 1.00 23.04 H new ATOM 0 HD21 LEU A 458 8.613 -1.052 3.505 1.00 1.45 H new ATOM 0 HD22 LEU A 458 8.109 0.007 4.843 1.00 1.45 H new ATOM 0 HD23 LEU A 458 9.644 -0.888 4.946 1.00 1.45 H new ATOM 1258 N THR A 459 9.218 -2.545 9.841 1.00 74.14 N ATOM 1259 CA THR A 459 9.175 -2.323 11.311 1.00 73.24 C ATOM 1260 C THR A 459 10.316 -1.379 11.770 1.00 1.55 C ATOM 1261 O THR A 459 10.185 -0.677 12.774 1.00 41.23 O ATOM 1262 CB THR A 459 9.270 -3.667 12.105 1.00 54.11 C ATOM 1263 OG1 THR A 459 10.553 -4.284 11.887 1.00 72.22 O ATOM 1264 CG2 THR A 459 8.151 -4.650 11.701 1.00 34.24 C ATOM 0 H THR A 459 9.347 -3.521 9.575 1.00 74.14 H new ATOM 0 HA THR A 459 8.213 -1.857 11.526 1.00 73.24 H new ATOM 0 HB THR A 459 9.149 -3.431 13.162 1.00 54.11 H new ATOM 0 HG1 THR A 459 10.558 -4.729 11.014 1.00 72.22 H new ATOM 0 HG21 THR A 459 8.252 -5.571 12.275 1.00 34.24 H new ATOM 0 HG22 THR A 459 7.180 -4.199 11.905 1.00 34.24 H new ATOM 0 HG23 THR A 459 8.230 -4.874 10.637 1.00 34.24 H new ATOM 1272 N THR A 460 11.424 -1.374 10.995 1.00 2.25 N ATOM 1273 CA THR A 460 12.579 -0.463 11.191 1.00 10.40 C ATOM 1274 C THR A 460 12.212 1.018 10.893 1.00 42.34 C ATOM 1275 O THR A 460 12.742 1.936 11.528 1.00 61.00 O ATOM 1276 CB THR A 460 13.779 -0.902 10.283 1.00 12.44 C ATOM 1277 OG1 THR A 460 14.099 -2.278 10.547 1.00 74.33 O ATOM 1278 CG2 THR A 460 15.046 -0.047 10.501 1.00 31.53 C ATOM 0 H THR A 460 11.545 -2.009 10.206 1.00 2.25 H new ATOM 0 HA THR A 460 12.868 -0.531 12.240 1.00 10.40 H new ATOM 0 HB THR A 460 13.462 -0.761 9.250 1.00 12.44 H new ATOM 0 HG1 THR A 460 14.848 -2.554 9.979 1.00 74.33 H new ATOM 0 HG21 THR A 460 15.841 -0.400 9.844 1.00 31.53 H new ATOM 0 HG22 THR A 460 14.825 0.996 10.275 1.00 31.53 H new ATOM 0 HG23 THR A 460 15.368 -0.132 11.539 1.00 31.53 H new ATOM 1286 N LEU A 461 11.269 1.241 9.951 1.00 21.31 N ATOM 1287 CA LEU A 461 10.846 2.609 9.531 1.00 61.25 C ATOM 1288 C LEU A 461 9.713 3.164 10.450 1.00 31.23 C ATOM 1289 O LEU A 461 8.871 3.938 9.989 1.00 40.14 O ATOM 1290 CB LEU A 461 10.354 2.602 8.047 1.00 33.23 C ATOM 1291 CG LEU A 461 11.273 1.903 6.986 1.00 64.31 C ATOM 1292 CD1 LEU A 461 10.693 2.041 5.558 1.00 72.11 C ATOM 1293 CD2 LEU A 461 12.729 2.417 7.044 1.00 71.21 C ATOM 0 H LEU A 461 10.780 0.492 9.461 1.00 21.31 H new ATOM 0 HA LEU A 461 11.716 3.259 9.622 1.00 61.25 H new ATOM 0 HB2 LEU A 461 9.378 2.118 8.018 1.00 33.23 H new ATOM 0 HB3 LEU A 461 10.207 3.636 7.736 1.00 33.23 H new ATOM 0 HG LEU A 461 11.296 0.843 7.241 1.00 64.31 H new ATOM 0 HD11 LEU A 461 11.354 1.546 4.847 1.00 72.11 H new ATOM 0 HD12 LEU A 461 9.707 1.578 5.520 1.00 72.11 H new ATOM 0 HD13 LEU A 461 10.609 3.097 5.300 1.00 72.11 H new ATOM 0 HD21 LEU A 461 13.326 1.903 6.291 1.00 71.21 H new ATOM 0 HD22 LEU A 461 12.744 3.489 6.850 1.00 71.21 H new ATOM 0 HD23 LEU A 461 13.145 2.221 8.032 1.00 71.21 H new ATOM 1305 N GLY A 462 9.738 2.796 11.750 1.00 40.14 N ATOM 1306 CA GLY A 462 8.694 3.178 12.721 1.00 51.24 C ATOM 1307 C GLY A 462 8.347 4.680 12.740 1.00 65.21 C ATOM 1308 O GLY A 462 7.228 5.040 12.370 1.00 11.15 O ATOM 0 H GLY A 462 10.482 2.227 12.153 1.00 40.14 H new ATOM 0 HA2 GLY A 462 7.788 2.613 12.500 1.00 51.24 H new ATOM 0 HA3 GLY A 462 9.019 2.882 13.718 1.00 51.24 H new ATOM 1312 N PRO A 463 9.295 5.585 13.148 1.00 74.41 N ATOM 1313 CA PRO A 463 9.098 7.068 13.087 1.00 31.45 C ATOM 1314 C PRO A 463 8.674 7.615 11.693 1.00 73.11 C ATOM 1315 O PRO A 463 7.921 8.591 11.615 1.00 71.44 O ATOM 1316 CB PRO A 463 10.475 7.631 13.511 1.00 72.23 C ATOM 1317 CG PRO A 463 11.073 6.550 14.361 1.00 14.42 C ATOM 1318 CD PRO A 463 10.612 5.241 13.749 1.00 74.52 C ATOM 0 HA PRO A 463 8.271 7.372 13.728 1.00 31.45 H new ATOM 0 HB2 PRO A 463 11.100 7.847 12.645 1.00 72.23 H new ATOM 0 HB3 PRO A 463 10.369 8.562 14.068 1.00 72.23 H new ATOM 0 HG2 PRO A 463 12.161 6.616 14.369 1.00 14.42 H new ATOM 0 HG3 PRO A 463 10.740 6.637 15.395 1.00 14.42 H new ATOM 0 HD2 PRO A 463 11.314 4.880 12.998 1.00 74.52 H new ATOM 0 HD3 PRO A 463 10.518 4.457 14.501 1.00 74.52 H new ATOM 1326 N LEU A 464 9.168 6.983 10.599 1.00 75.15 N ATOM 1327 CA LEU A 464 8.752 7.329 9.213 1.00 54.32 C ATOM 1328 C LEU A 464 7.226 7.123 8.996 1.00 24.41 C ATOM 1329 O LEU A 464 6.580 7.932 8.324 1.00 72.20 O ATOM 1330 CB LEU A 464 9.571 6.534 8.161 1.00 34.24 C ATOM 1331 CG LEU A 464 11.054 6.986 7.945 1.00 12.10 C ATOM 1332 CD1 LEU A 464 11.778 6.078 6.928 1.00 11.41 C ATOM 1333 CD2 LEU A 464 11.131 8.471 7.515 1.00 34.34 C ATOM 0 H LEU A 464 9.855 6.231 10.648 1.00 75.15 H new ATOM 0 HA LEU A 464 8.962 8.390 9.075 1.00 54.32 H new ATOM 0 HB2 LEU A 464 9.573 5.484 8.453 1.00 34.24 H new ATOM 0 HB3 LEU A 464 9.052 6.598 7.205 1.00 34.24 H new ATOM 0 HG LEU A 464 11.567 6.887 8.901 1.00 12.10 H new ATOM 0 HD11 LEU A 464 12.805 6.420 6.802 1.00 11.41 H new ATOM 0 HD12 LEU A 464 11.780 5.051 7.294 1.00 11.41 H new ATOM 0 HD13 LEU A 464 11.261 6.121 5.969 1.00 11.41 H new ATOM 0 HD21 LEU A 464 12.174 8.755 7.373 1.00 34.34 H new ATOM 0 HD22 LEU A 464 10.587 8.608 6.580 1.00 34.34 H new ATOM 0 HD23 LEU A 464 10.687 9.097 8.289 1.00 34.34 H new ATOM 1345 N PHE A 465 6.660 6.049 9.586 1.00 61.41 N ATOM 1346 CA PHE A 465 5.195 5.787 9.566 1.00 54.32 C ATOM 1347 C PHE A 465 4.410 6.747 10.499 1.00 51.10 C ATOM 1348 O PHE A 465 3.224 7.007 10.271 1.00 22.31 O ATOM 1349 CB PHE A 465 4.899 4.312 9.942 1.00 24.21 C ATOM 1350 CG PHE A 465 5.275 3.302 8.857 1.00 73.11 C ATOM 1351 CD1 PHE A 465 4.532 3.228 7.683 1.00 22.45 C ATOM 1352 CD2 PHE A 465 6.350 2.429 9.004 1.00 71.45 C ATOM 1353 CE1 PHE A 465 4.848 2.320 6.698 1.00 64.32 C ATOM 1354 CE2 PHE A 465 6.663 1.520 8.012 1.00 53.43 C ATOM 1355 CZ PHE A 465 5.912 1.464 6.861 1.00 23.43 C ATOM 0 H PHE A 465 7.196 5.341 10.087 1.00 61.41 H new ATOM 0 HA PHE A 465 4.853 5.973 8.548 1.00 54.32 H new ATOM 0 HB2 PHE A 465 5.440 4.066 10.855 1.00 24.21 H new ATOM 0 HB3 PHE A 465 3.837 4.211 10.164 1.00 24.21 H new ATOM 0 HD1 PHE A 465 3.694 3.894 7.542 1.00 22.45 H new ATOM 0 HD2 PHE A 465 6.946 2.463 9.904 1.00 71.45 H new ATOM 0 HE1 PHE A 465 4.258 2.280 5.794 1.00 64.32 H new ATOM 0 HE2 PHE A 465 7.501 0.851 8.141 1.00 53.43 H new ATOM 0 HZ PHE A 465 6.157 0.750 6.088 1.00 23.43 H new ATOM 1365 N ARG A 466 5.069 7.264 11.557 1.00 44.24 N ATOM 1366 CA ARG A 466 4.459 8.283 12.460 1.00 64.41 C ATOM 1367 C ARG A 466 4.498 9.692 11.812 1.00 55.35 C ATOM 1368 O ARG A 466 3.760 10.597 12.220 1.00 55.53 O ATOM 1369 CB ARG A 466 5.133 8.273 13.871 1.00 51.52 C ATOM 1370 CG ARG A 466 4.643 7.137 14.815 1.00 61.25 C ATOM 1371 CD ARG A 466 4.921 5.726 14.270 1.00 41.51 C ATOM 1372 NE ARG A 466 4.256 4.662 15.031 1.00 23.54 N ATOM 1373 CZ ARG A 466 4.152 3.408 14.638 1.00 23.50 C ATOM 1374 NH1 ARG A 466 4.735 2.976 13.551 1.00 40.44 N ATOM 1375 NH2 ARG A 466 3.474 2.576 15.352 1.00 11.44 N ATOM 0 H ARG A 466 6.020 6.999 11.813 1.00 44.24 H new ATOM 0 HA ARG A 466 3.412 8.018 12.606 1.00 64.41 H new ATOM 0 HB2 ARG A 466 6.212 8.181 13.743 1.00 51.52 H new ATOM 0 HB3 ARG A 466 4.950 9.233 14.354 1.00 51.52 H new ATOM 0 HG2 ARG A 466 5.129 7.246 15.785 1.00 61.25 H new ATOM 0 HG3 ARG A 466 3.572 7.250 14.981 1.00 61.25 H new ATOM 0 HD2 ARG A 466 4.596 5.676 13.231 1.00 41.51 H new ATOM 0 HD3 ARG A 466 5.996 5.548 14.276 1.00 41.51 H new ATOM 0 HE ARG A 466 3.844 4.911 15.930 1.00 23.54 H new ATOM 0 HH11 ARG A 466 5.289 3.615 12.981 1.00 40.44 H new ATOM 0 HH12 ARG A 466 4.636 2.000 13.273 1.00 40.44 H new ATOM 0 HH21 ARG A 466 3.024 2.890 16.212 1.00 11.44 H new ATOM 0 HH22 ARG A 466 3.387 1.603 15.057 1.00 11.44 H new ATOM 1389 N ASN A 467 5.355 9.851 10.784 1.00 60.51 N ATOM 1390 CA ASN A 467 5.383 11.048 9.908 1.00 23.41 C ATOM 1391 C ASN A 467 4.462 10.865 8.668 1.00 4.31 C ATOM 1392 O ASN A 467 4.492 11.681 7.735 1.00 52.31 O ATOM 1393 CB ASN A 467 6.844 11.326 9.470 1.00 70.23 C ATOM 1394 CG ASN A 467 7.739 11.822 10.610 1.00 31.24 C ATOM 1395 OD1 ASN A 467 7.519 11.515 11.773 1.00 1.33 O ATOM 1396 ND2 ASN A 467 8.764 12.583 10.288 1.00 31.43 N ATOM 0 H ASN A 467 6.053 9.151 10.533 1.00 60.51 H new ATOM 0 HA ASN A 467 5.003 11.902 10.469 1.00 23.41 H new ATOM 0 HB2 ASN A 467 7.271 10.413 9.055 1.00 70.23 H new ATOM 0 HB3 ASN A 467 6.841 12.068 8.672 1.00 70.23 H new ATOM 0 HD21 ASN A 467 9.392 12.928 11.015 1.00 31.43 H new ATOM 0 HD22 ASN A 467 8.931 12.828 9.312 1.00 31.43 H new ATOM 1403 N SER A 468 3.636 9.794 8.679 1.00 55.12 N ATOM 1404 CA SER A 468 2.711 9.463 7.569 1.00 4.14 C ATOM 1405 C SER A 468 1.229 9.680 7.960 1.00 14.51 C ATOM 1406 O SER A 468 0.808 9.350 9.073 1.00 22.44 O ATOM 1407 CB SER A 468 2.912 7.995 7.110 1.00 75.24 C ATOM 1408 OG SER A 468 4.227 7.765 6.625 1.00 30.23 O ATOM 0 H SER A 468 3.591 9.135 9.456 1.00 55.12 H new ATOM 0 HA SER A 468 2.948 10.141 6.749 1.00 4.14 H new ATOM 0 HB2 SER A 468 2.711 7.323 7.945 1.00 75.24 H new ATOM 0 HB3 SER A 468 2.190 7.757 6.328 1.00 75.24 H new ATOM 0 HG SER A 468 4.868 7.857 7.361 1.00 30.23 H new ATOM 1414 N ARG A 469 0.466 10.256 7.021 1.00 51.34 N ATOM 1415 CA ARG A 469 -1.010 10.382 7.085 1.00 45.53 C ATOM 1416 C ARG A 469 -1.707 9.011 6.904 1.00 44.32 C ATOM 1417 O ARG A 469 -1.273 8.202 6.103 1.00 1.41 O ATOM 1418 CB ARG A 469 -1.465 11.348 5.959 1.00 31.32 C ATOM 1419 CG ARG A 469 -2.986 11.405 5.708 1.00 43.14 C ATOM 1420 CD ARG A 469 -3.355 12.351 4.563 1.00 13.22 C ATOM 1421 NE ARG A 469 -3.140 13.758 4.919 1.00 71.11 N ATOM 1422 CZ ARG A 469 -3.562 14.776 4.217 1.00 63.55 C ATOM 1423 NH1 ARG A 469 -4.031 14.622 3.023 1.00 73.30 N ATOM 1424 NH2 ARG A 469 -3.484 15.959 4.711 1.00 54.03 N ATOM 0 H ARG A 469 0.861 10.660 6.172 1.00 51.34 H new ATOM 0 HA ARG A 469 -1.289 10.767 8.066 1.00 45.53 H new ATOM 0 HB2 ARG A 469 -1.117 12.352 6.202 1.00 31.32 H new ATOM 0 HB3 ARG A 469 -0.972 11.056 5.032 1.00 31.32 H new ATOM 0 HG2 ARG A 469 -3.351 10.404 5.480 1.00 43.14 H new ATOM 0 HG3 ARG A 469 -3.490 11.728 6.619 1.00 43.14 H new ATOM 0 HD2 ARG A 469 -2.760 12.105 3.684 1.00 13.22 H new ATOM 0 HD3 ARG A 469 -4.400 12.202 4.292 1.00 13.22 H new ATOM 0 HE ARG A 469 -2.624 13.956 5.776 1.00 71.11 H new ATOM 0 HH11 ARG A 469 -4.078 13.691 2.610 1.00 73.30 H new ATOM 0 HH12 ARG A 469 -4.355 15.432 2.494 1.00 73.30 H new ATOM 0 HH21 ARG A 469 -3.095 16.098 5.644 1.00 54.03 H new ATOM 0 HH22 ARG A 469 -3.811 16.760 4.171 1.00 54.03 H new ATOM 1438 N MET A 470 -2.812 8.777 7.630 1.00 23.33 N ATOM 1439 CA MET A 470 -3.578 7.516 7.533 1.00 11.24 C ATOM 1440 C MET A 470 -4.879 7.730 6.702 1.00 11.10 C ATOM 1441 O MET A 470 -5.780 8.457 7.132 1.00 63.52 O ATOM 1442 CB MET A 470 -3.895 7.033 8.979 1.00 42.51 C ATOM 1443 CG MET A 470 -4.202 5.540 9.132 1.00 63.14 C ATOM 1444 SD MET A 470 -4.496 5.102 10.861 1.00 41.34 S ATOM 1445 CE MET A 470 -4.334 3.318 10.836 1.00 64.25 C ATOM 0 H MET A 470 -3.199 9.446 8.295 1.00 23.33 H new ATOM 0 HA MET A 470 -2.995 6.754 7.016 1.00 11.24 H new ATOM 0 HB2 MET A 470 -3.046 7.277 9.617 1.00 42.51 H new ATOM 0 HB3 MET A 470 -4.748 7.600 9.352 1.00 42.51 H new ATOM 0 HG2 MET A 470 -5.078 5.284 8.536 1.00 63.14 H new ATOM 0 HG3 MET A 470 -3.369 4.954 8.743 1.00 63.14 H new ATOM 0 HE1 MET A 470 -3.786 2.990 11.719 1.00 64.25 H new ATOM 0 HE2 MET A 470 -5.324 2.863 10.834 1.00 64.25 H new ATOM 0 HE3 MET A 470 -3.793 3.014 9.940 1.00 64.25 H new ATOM 1455 N VAL A 471 -4.958 7.109 5.500 1.00 4.12 N ATOM 1456 CA VAL A 471 -6.192 7.107 4.653 1.00 63.20 C ATOM 1457 C VAL A 471 -6.758 5.670 4.513 1.00 30.43 C ATOM 1458 O VAL A 471 -6.152 4.705 5.001 1.00 2.34 O ATOM 1459 CB VAL A 471 -5.951 7.752 3.224 1.00 63.05 C ATOM 1460 CG1 VAL A 471 -5.438 9.211 3.346 1.00 42.00 C ATOM 1461 CG2 VAL A 471 -5.004 6.893 2.344 1.00 61.43 C ATOM 0 H VAL A 471 -4.179 6.597 5.086 1.00 4.12 H new ATOM 0 HA VAL A 471 -6.926 7.730 5.164 1.00 63.20 H new ATOM 0 HB VAL A 471 -6.917 7.776 2.719 1.00 63.05 H new ATOM 0 HG11 VAL A 471 -5.282 9.626 2.350 1.00 42.00 H new ATOM 0 HG12 VAL A 471 -6.175 9.812 3.879 1.00 42.00 H new ATOM 0 HG13 VAL A 471 -4.496 9.221 3.895 1.00 42.00 H new ATOM 0 HG21 VAL A 471 -4.870 7.375 1.376 1.00 61.43 H new ATOM 0 HG22 VAL A 471 -4.037 6.795 2.838 1.00 61.43 H new ATOM 0 HG23 VAL A 471 -5.439 5.904 2.199 1.00 61.43 H new ATOM 1471 N GLN A 472 -7.924 5.532 3.846 1.00 14.22 N ATOM 1472 CA GLN A 472 -8.653 4.243 3.772 1.00 30.30 C ATOM 1473 C GLN A 472 -8.915 3.806 2.306 1.00 34.10 C ATOM 1474 O GLN A 472 -9.451 4.571 1.504 1.00 71.45 O ATOM 1475 CB GLN A 472 -9.985 4.362 4.557 1.00 3.12 C ATOM 1476 CG GLN A 472 -10.744 3.029 4.734 1.00 40.43 C ATOM 1477 CD GLN A 472 -12.010 3.147 5.593 1.00 45.42 C ATOM 1478 OE1 GLN A 472 -12.107 3.990 6.483 1.00 52.15 O ATOM 1479 NE2 GLN A 472 -12.975 2.284 5.358 1.00 43.43 N ATOM 0 H GLN A 472 -8.382 6.296 3.350 1.00 14.22 H new ATOM 0 HA GLN A 472 -8.030 3.471 4.223 1.00 30.30 H new ATOM 0 HB2 GLN A 472 -9.776 4.780 5.542 1.00 3.12 H new ATOM 0 HB3 GLN A 472 -10.634 5.070 4.041 1.00 3.12 H new ATOM 0 HG2 GLN A 472 -11.017 2.644 3.752 1.00 40.43 H new ATOM 0 HG3 GLN A 472 -10.075 2.298 5.188 1.00 40.43 H new ATOM 0 HE21 GLN A 472 -12.872 1.594 4.614 1.00 43.43 H new ATOM 0 HE22 GLN A 472 -13.826 2.305 5.920 1.00 43.43 H new ATOM 1488 N PHE A 473 -8.502 2.562 1.979 1.00 5.40 N ATOM 1489 CA PHE A 473 -8.770 1.904 0.677 1.00 71.33 C ATOM 1490 C PHE A 473 -9.934 0.886 0.810 1.00 20.11 C ATOM 1491 O PHE A 473 -9.846 -0.094 1.562 1.00 51.43 O ATOM 1492 CB PHE A 473 -7.495 1.188 0.145 1.00 41.25 C ATOM 1493 CG PHE A 473 -6.383 2.115 -0.351 1.00 23.12 C ATOM 1494 CD1 PHE A 473 -5.713 2.972 0.526 1.00 75.24 C ATOM 1495 CD2 PHE A 473 -5.998 2.118 -1.696 1.00 12.04 C ATOM 1496 CE1 PHE A 473 -4.703 3.799 0.075 1.00 20.21 C ATOM 1497 CE2 PHE A 473 -4.985 2.944 -2.142 1.00 54.23 C ATOM 1498 CZ PHE A 473 -4.339 3.783 -1.257 1.00 32.41 C ATOM 0 H PHE A 473 -7.966 1.977 2.619 1.00 5.40 H new ATOM 0 HA PHE A 473 -9.057 2.676 -0.037 1.00 71.33 H new ATOM 0 HB2 PHE A 473 -7.094 0.559 0.939 1.00 41.25 H new ATOM 0 HB3 PHE A 473 -7.784 0.526 -0.671 1.00 41.25 H new ATOM 0 HD1 PHE A 473 -5.989 2.988 1.570 1.00 75.24 H new ATOM 0 HD2 PHE A 473 -6.500 1.465 -2.395 1.00 12.04 H new ATOM 0 HE1 PHE A 473 -4.197 4.459 0.765 1.00 20.21 H new ATOM 0 HE2 PHE A 473 -4.698 2.933 -3.183 1.00 54.23 H new ATOM 0 HZ PHE A 473 -3.547 4.429 -1.607 1.00 32.41 H new ATOM 1508 N HIS A 474 -11.016 1.146 0.071 1.00 25.33 N ATOM 1509 CA HIS A 474 -12.215 0.282 -0.012 1.00 42.40 C ATOM 1510 C HIS A 474 -12.328 -0.275 -1.449 1.00 73.32 C ATOM 1511 O HIS A 474 -12.470 0.488 -2.407 1.00 45.20 O ATOM 1512 CB HIS A 474 -13.444 1.143 0.383 1.00 44.41 C ATOM 1513 CG HIS A 474 -14.824 0.549 0.191 1.00 63.31 C ATOM 1514 ND1 HIS A 474 -15.535 0.034 1.245 1.00 32.32 N ATOM 1515 CD2 HIS A 474 -15.617 0.540 -0.914 1.00 14.34 C ATOM 1516 CE1 HIS A 474 -16.728 -0.261 0.767 1.00 30.31 C ATOM 1517 NE2 HIS A 474 -16.825 0.027 -0.532 1.00 3.11 N ATOM 0 H HIS A 474 -11.092 1.984 -0.505 1.00 25.33 H new ATOM 0 HA HIS A 474 -12.155 -0.570 0.666 1.00 42.40 H new ATOM 0 HB2 HIS A 474 -13.340 1.410 1.435 1.00 44.41 H new ATOM 0 HB3 HIS A 474 -13.398 2.071 -0.188 1.00 44.41 H new ATOM 0 HD2 HIS A 474 -15.344 0.874 -1.904 1.00 14.34 H new ATOM 0 HE1 HIS A 474 -17.529 -0.684 1.355 1.00 30.31 H new ATOM 0 HE2 HIS A 474 -17.643 -0.109 -1.126 1.00 3.11 H new ATOM 1525 N PHE A 475 -12.258 -1.611 -1.599 1.00 20.24 N ATOM 1526 CA PHE A 475 -12.288 -2.280 -2.924 1.00 13.53 C ATOM 1527 C PHE A 475 -13.741 -2.570 -3.381 1.00 54.22 C ATOM 1528 O PHE A 475 -14.083 -3.704 -3.729 1.00 14.02 O ATOM 1529 CB PHE A 475 -11.411 -3.566 -2.894 1.00 45.40 C ATOM 1530 CG PHE A 475 -9.899 -3.301 -2.856 1.00 20.42 C ATOM 1531 CD1 PHE A 475 -9.295 -2.717 -1.742 1.00 52.03 C ATOM 1532 CD2 PHE A 475 -9.081 -3.642 -3.936 1.00 71.25 C ATOM 1533 CE1 PHE A 475 -7.930 -2.487 -1.709 1.00 22.04 C ATOM 1534 CE2 PHE A 475 -7.717 -3.414 -3.899 1.00 54.24 C ATOM 1535 CZ PHE A 475 -7.144 -2.838 -2.785 1.00 22.51 C ATOM 0 H PHE A 475 -12.179 -2.258 -0.814 1.00 20.24 H new ATOM 0 HA PHE A 475 -11.863 -1.604 -3.666 1.00 13.53 H new ATOM 0 HB2 PHE A 475 -11.686 -4.158 -2.021 1.00 45.40 H new ATOM 0 HB3 PHE A 475 -11.640 -4.168 -3.773 1.00 45.40 H new ATOM 0 HD1 PHE A 475 -9.902 -2.440 -0.892 1.00 52.03 H new ATOM 0 HD2 PHE A 475 -9.521 -4.091 -4.814 1.00 71.25 H new ATOM 0 HE1 PHE A 475 -7.481 -2.032 -0.839 1.00 22.04 H new ATOM 0 HE2 PHE A 475 -7.101 -3.687 -4.743 1.00 54.24 H new ATOM 0 HZ PHE A 475 -6.079 -2.662 -2.756 1.00 22.51 H new ATOM 1545 N THR A 476 -14.561 -1.499 -3.376 1.00 32.22 N ATOM 1546 CA THR A 476 -15.972 -1.477 -3.831 1.00 21.54 C ATOM 1547 C THR A 476 -16.887 -2.521 -3.112 1.00 10.41 C ATOM 1548 O THR A 476 -17.673 -2.156 -2.231 1.00 35.13 O ATOM 1549 CB THR A 476 -16.085 -1.596 -5.392 1.00 31.52 C ATOM 1550 OG1 THR A 476 -15.104 -0.744 -6.023 1.00 3.22 O ATOM 1551 CG2 THR A 476 -17.486 -1.193 -5.884 1.00 61.14 C ATOM 0 H THR A 476 -14.248 -0.587 -3.042 1.00 32.22 H new ATOM 0 HA THR A 476 -16.352 -0.498 -3.537 1.00 21.54 H new ATOM 0 HB THR A 476 -15.906 -2.637 -5.659 1.00 31.52 H new ATOM 0 HG1 THR A 476 -14.208 -1.114 -5.878 1.00 3.22 H new ATOM 0 HG21 THR A 476 -17.531 -1.286 -6.969 1.00 61.14 H new ATOM 0 HG22 THR A 476 -18.232 -1.846 -5.432 1.00 61.14 H new ATOM 0 HG23 THR A 476 -17.688 -0.160 -5.600 1.00 61.14 H new ATOM 1559 N ASN A 477 -16.782 -3.812 -3.489 1.00 42.31 N ATOM 1560 CA ASN A 477 -17.600 -4.906 -2.896 1.00 75.44 C ATOM 1561 C ASN A 477 -16.932 -5.521 -1.639 1.00 52.14 C ATOM 1562 O ASN A 477 -17.632 -6.005 -0.742 1.00 34.54 O ATOM 1563 CB ASN A 477 -17.852 -6.004 -3.957 1.00 45.35 C ATOM 1564 CG ASN A 477 -18.655 -5.524 -5.166 1.00 61.21 C ATOM 1565 OD1 ASN A 477 -18.642 -4.353 -5.532 1.00 22.12 O ATOM 1566 ND2 ASN A 477 -19.338 -6.437 -5.815 1.00 11.42 N ATOM 0 H ASN A 477 -16.133 -4.131 -4.209 1.00 42.31 H new ATOM 0 HA ASN A 477 -18.549 -4.474 -2.579 1.00 75.44 H new ATOM 0 HB2 ASN A 477 -16.893 -6.391 -4.301 1.00 45.35 H new ATOM 0 HB3 ASN A 477 -18.381 -6.834 -3.488 1.00 45.35 H new ATOM 0 HD21 ASN A 477 -19.874 -6.180 -6.644 1.00 11.42 H new ATOM 0 HD22 ASN A 477 -19.333 -7.404 -5.491 1.00 11.42 H new ATOM 1573 N LYS A 478 -15.572 -5.508 -1.609 1.00 4.11 N ATOM 1574 CA LYS A 478 -14.718 -5.998 -0.475 1.00 45.32 C ATOM 1575 C LYS A 478 -14.590 -7.550 -0.380 1.00 34.13 C ATOM 1576 O LYS A 478 -13.695 -8.045 0.306 1.00 34.24 O ATOM 1577 CB LYS A 478 -15.184 -5.445 0.907 1.00 3.02 C ATOM 1578 CG LYS A 478 -15.176 -3.904 1.049 1.00 70.53 C ATOM 1579 CD LYS A 478 -15.894 -3.413 2.345 1.00 33.42 C ATOM 1580 CE LYS A 478 -17.446 -3.432 2.258 1.00 50.43 C ATOM 1581 NZ LYS A 478 -18.028 -4.785 2.063 1.00 75.11 N ATOM 0 H LYS A 478 -15.019 -5.149 -2.388 1.00 4.11 H new ATOM 0 HA LYS A 478 -13.731 -5.603 -0.716 1.00 45.32 H new ATOM 0 HB2 LYS A 478 -16.195 -5.804 1.100 1.00 3.02 H new ATOM 0 HB3 LYS A 478 -14.543 -5.866 1.681 1.00 3.02 H new ATOM 0 HG2 LYS A 478 -14.145 -3.549 1.053 1.00 70.53 H new ATOM 0 HG3 LYS A 478 -15.662 -3.461 0.180 1.00 70.53 H new ATOM 0 HD2 LYS A 478 -15.580 -4.039 3.180 1.00 33.42 H new ATOM 0 HD3 LYS A 478 -15.566 -2.397 2.567 1.00 33.42 H new ATOM 0 HE2 LYS A 478 -17.855 -3.001 3.172 1.00 50.43 H new ATOM 0 HE3 LYS A 478 -17.761 -2.791 1.434 1.00 50.43 H new ATOM 0 HZ1 LYS A 478 -19.008 -4.795 2.411 1.00 75.11 H new ATOM 0 HZ2 LYS A 478 -18.017 -5.025 1.051 1.00 75.11 H new ATOM 0 HZ3 LYS A 478 -17.467 -5.484 2.591 1.00 75.11 H new ATOM 1595 N ASP A 479 -15.463 -8.318 -1.053 1.00 61.12 N ATOM 1596 CA ASP A 479 -15.529 -9.798 -0.882 1.00 60.34 C ATOM 1597 C ASP A 479 -15.033 -10.565 -2.137 1.00 24.01 C ATOM 1598 O ASP A 479 -15.390 -11.728 -2.339 1.00 44.32 O ATOM 1599 CB ASP A 479 -16.987 -10.193 -0.541 1.00 1.43 C ATOM 1600 CG ASP A 479 -17.980 -9.868 -1.673 1.00 43.40 C ATOM 1601 OD1 ASP A 479 -18.274 -8.679 -1.891 1.00 54.11 O ATOM 1602 OD2 ASP A 479 -18.474 -10.801 -2.344 1.00 64.43 O ATOM 0 H ASP A 479 -16.137 -7.948 -1.723 1.00 61.12 H new ATOM 0 HA ASP A 479 -14.860 -10.079 -0.068 1.00 60.34 H new ATOM 0 HB2 ASP A 479 -17.027 -11.261 -0.326 1.00 1.43 H new ATOM 0 HB3 ASP A 479 -17.296 -9.673 0.366 1.00 1.43 H new ATOM 1607 N LEU A 480 -14.186 -9.926 -2.958 1.00 60.35 N ATOM 1608 CA LEU A 480 -13.800 -10.481 -4.277 1.00 2.53 C ATOM 1609 C LEU A 480 -12.776 -11.645 -4.155 1.00 54.41 C ATOM 1610 O LEU A 480 -11.930 -11.643 -3.262 1.00 2.32 O ATOM 1611 CB LEU A 480 -13.255 -9.361 -5.213 1.00 64.22 C ATOM 1612 CG LEU A 480 -14.202 -8.131 -5.463 1.00 25.21 C ATOM 1613 CD1 LEU A 480 -15.670 -8.564 -5.674 1.00 11.33 C ATOM 1614 CD2 LEU A 480 -14.077 -7.069 -4.345 1.00 14.25 C ATOM 0 H LEU A 480 -13.754 -9.028 -2.739 1.00 60.35 H new ATOM 0 HA LEU A 480 -14.704 -10.898 -4.721 1.00 2.53 H new ATOM 0 HB2 LEU A 480 -12.320 -8.991 -4.793 1.00 64.22 H new ATOM 0 HB3 LEU A 480 -13.016 -9.809 -6.178 1.00 64.22 H new ATOM 0 HG LEU A 480 -13.870 -7.663 -6.390 1.00 25.21 H new ATOM 0 HD11 LEU A 480 -16.289 -7.683 -5.843 1.00 11.33 H new ATOM 0 HD12 LEU A 480 -15.734 -9.224 -6.539 1.00 11.33 H new ATOM 0 HD13 LEU A 480 -16.025 -9.092 -4.789 1.00 11.33 H new ATOM 0 HD21 LEU A 480 -14.748 -6.237 -4.557 1.00 14.25 H new ATOM 0 HD22 LEU A 480 -14.344 -7.516 -3.387 1.00 14.25 H new ATOM 0 HD23 LEU A 480 -13.050 -6.705 -4.302 1.00 14.25 H new ATOM 1626 N GLU A 481 -12.864 -12.626 -5.080 1.00 21.25 N ATOM 1627 CA GLU A 481 -12.013 -13.852 -5.067 1.00 3.42 C ATOM 1628 C GLU A 481 -10.518 -13.513 -5.265 1.00 35.22 C ATOM 1629 O GLU A 481 -9.647 -14.049 -4.572 1.00 32.20 O ATOM 1630 CB GLU A 481 -12.478 -14.853 -6.166 1.00 1.33 C ATOM 1631 CG GLU A 481 -13.992 -15.176 -6.175 1.00 65.15 C ATOM 1632 CD GLU A 481 -14.535 -15.619 -4.804 1.00 11.10 C ATOM 1633 OE1 GLU A 481 -14.110 -16.683 -4.295 1.00 43.34 O ATOM 1634 OE2 GLU A 481 -15.381 -14.904 -4.222 1.00 33.33 O ATOM 0 H GLU A 481 -13.523 -12.597 -5.858 1.00 21.25 H new ATOM 0 HA GLU A 481 -12.128 -14.315 -4.087 1.00 3.42 H new ATOM 0 HB2 GLU A 481 -12.205 -14.448 -7.141 1.00 1.33 H new ATOM 0 HB3 GLU A 481 -11.926 -15.785 -6.041 1.00 1.33 H new ATOM 0 HG2 GLU A 481 -14.541 -14.295 -6.507 1.00 65.15 H new ATOM 0 HG3 GLU A 481 -14.183 -15.964 -6.904 1.00 65.15 H new ATOM 1641 N SER A 482 -10.245 -12.609 -6.227 1.00 33.11 N ATOM 1642 CA SER A 482 -8.888 -12.048 -6.465 1.00 64.53 C ATOM 1643 C SER A 482 -8.342 -11.325 -5.213 1.00 11.33 C ATOM 1644 O SER A 482 -7.139 -11.348 -4.933 1.00 42.43 O ATOM 1645 CB SER A 482 -8.933 -11.047 -7.638 1.00 64.33 C ATOM 1646 OG SER A 482 -9.318 -11.673 -8.847 1.00 63.43 O ATOM 0 H SER A 482 -10.954 -12.244 -6.863 1.00 33.11 H new ATOM 0 HA SER A 482 -8.226 -12.881 -6.701 1.00 64.53 H new ATOM 0 HB2 SER A 482 -9.633 -10.245 -7.405 1.00 64.33 H new ATOM 0 HB3 SER A 482 -7.952 -10.588 -7.762 1.00 64.33 H new ATOM 0 HG SER A 482 -9.337 -11.009 -9.567 1.00 63.43 H new ATOM 1652 N LEU A 483 -9.262 -10.666 -4.489 1.00 1.22 N ATOM 1653 CA LEU A 483 -8.951 -9.886 -3.275 1.00 22.35 C ATOM 1654 C LEU A 483 -8.618 -10.801 -2.077 1.00 34.41 C ATOM 1655 O LEU A 483 -7.837 -10.424 -1.213 1.00 2.03 O ATOM 1656 CB LEU A 483 -10.133 -8.932 -2.958 1.00 1.30 C ATOM 1657 CG LEU A 483 -9.880 -7.861 -1.863 1.00 13.45 C ATOM 1658 CD1 LEU A 483 -8.717 -6.925 -2.250 1.00 33.34 C ATOM 1659 CD2 LEU A 483 -11.164 -7.068 -1.559 1.00 11.13 C ATOM 0 H LEU A 483 -10.253 -10.658 -4.731 1.00 1.22 H new ATOM 0 HA LEU A 483 -8.058 -9.289 -3.461 1.00 22.35 H new ATOM 0 HB2 LEU A 483 -10.415 -8.420 -3.878 1.00 1.30 H new ATOM 0 HB3 LEU A 483 -10.988 -9.536 -2.654 1.00 1.30 H new ATOM 0 HG LEU A 483 -9.588 -8.381 -0.950 1.00 13.45 H new ATOM 0 HD11 LEU A 483 -8.566 -6.187 -1.462 1.00 33.34 H new ATOM 0 HD12 LEU A 483 -7.806 -7.510 -2.378 1.00 33.34 H new ATOM 0 HD13 LEU A 483 -8.955 -6.415 -3.184 1.00 33.34 H new ATOM 0 HD21 LEU A 483 -10.959 -6.325 -0.789 1.00 11.13 H new ATOM 0 HD22 LEU A 483 -11.505 -6.567 -2.465 1.00 11.13 H new ATOM 0 HD23 LEU A 483 -11.938 -7.750 -1.208 1.00 11.13 H new ATOM 1671 N LYS A 484 -9.227 -11.999 -2.043 1.00 53.01 N ATOM 1672 CA LYS A 484 -8.887 -13.064 -1.061 1.00 12.22 C ATOM 1673 C LYS A 484 -7.449 -13.603 -1.298 1.00 5.03 C ATOM 1674 O LYS A 484 -6.772 -14.038 -0.355 1.00 43.35 O ATOM 1675 CB LYS A 484 -9.926 -14.214 -1.155 1.00 23.22 C ATOM 1676 CG LYS A 484 -11.377 -13.775 -0.846 1.00 45.24 C ATOM 1677 CD LYS A 484 -12.426 -14.861 -1.186 1.00 60.44 C ATOM 1678 CE LYS A 484 -13.866 -14.370 -0.964 1.00 43.34 C ATOM 1679 NZ LYS A 484 -14.864 -15.373 -1.403 1.00 41.20 N ATOM 0 H LYS A 484 -9.969 -12.264 -2.691 1.00 53.01 H new ATOM 0 HA LYS A 484 -8.919 -12.637 -0.059 1.00 12.22 H new ATOM 0 HB2 LYS A 484 -9.892 -14.640 -2.158 1.00 23.22 H new ATOM 0 HB3 LYS A 484 -9.641 -15.006 -0.462 1.00 23.22 H new ATOM 0 HG2 LYS A 484 -11.456 -13.521 0.211 1.00 45.24 H new ATOM 0 HG3 LYS A 484 -11.604 -12.870 -1.409 1.00 45.24 H new ATOM 0 HD2 LYS A 484 -12.305 -15.167 -2.225 1.00 60.44 H new ATOM 0 HD3 LYS A 484 -12.246 -15.742 -0.571 1.00 60.44 H new ATOM 0 HE2 LYS A 484 -14.015 -14.147 0.093 1.00 43.34 H new ATOM 0 HE3 LYS A 484 -14.021 -13.440 -1.511 1.00 43.34 H new ATOM 0 HZ1 LYS A 484 -15.697 -15.329 -0.781 1.00 41.20 H new ATOM 0 HZ2 LYS A 484 -15.152 -15.171 -2.382 1.00 41.20 H new ATOM 0 HZ3 LYS A 484 -14.445 -16.324 -1.354 1.00 41.20 H new ATOM 1693 N GLY A 485 -7.003 -13.561 -2.574 1.00 3.51 N ATOM 1694 CA GLY A 485 -5.598 -13.820 -2.928 1.00 33.14 C ATOM 1695 C GLY A 485 -4.642 -12.774 -2.336 1.00 21.24 C ATOM 1696 O GLY A 485 -3.577 -13.117 -1.806 1.00 33.21 O ATOM 0 H GLY A 485 -7.601 -13.349 -3.373 1.00 3.51 H new ATOM 0 HA2 GLY A 485 -5.313 -14.810 -2.573 1.00 33.14 H new ATOM 0 HA3 GLY A 485 -5.495 -13.829 -4.013 1.00 33.14 H new ATOM 1700 N LEU A 486 -5.056 -11.488 -2.407 1.00 60.53 N ATOM 1701 CA LEU A 486 -4.315 -10.364 -1.787 1.00 1.34 C ATOM 1702 C LEU A 486 -4.337 -10.467 -0.231 1.00 21.41 C ATOM 1703 O LEU A 486 -3.324 -10.213 0.415 1.00 63.14 O ATOM 1704 CB LEU A 486 -4.902 -9.005 -2.268 1.00 64.53 C ATOM 1705 CG LEU A 486 -4.135 -7.716 -1.809 1.00 25.03 C ATOM 1706 CD1 LEU A 486 -2.654 -7.750 -2.258 1.00 22.01 C ATOM 1707 CD2 LEU A 486 -4.840 -6.430 -2.306 1.00 65.32 C ATOM 0 H LEU A 486 -5.906 -11.201 -2.892 1.00 60.53 H new ATOM 0 HA LEU A 486 -3.273 -10.421 -2.103 1.00 1.34 H new ATOM 0 HB2 LEU A 486 -4.936 -9.013 -3.357 1.00 64.53 H new ATOM 0 HB3 LEU A 486 -5.932 -8.934 -1.917 1.00 64.53 H new ATOM 0 HG LEU A 486 -4.150 -7.700 -0.719 1.00 25.03 H new ATOM 0 HD11 LEU A 486 -2.152 -6.842 -1.924 1.00 22.01 H new ATOM 0 HD12 LEU A 486 -2.161 -8.619 -1.822 1.00 22.01 H new ATOM 0 HD13 LEU A 486 -2.605 -7.813 -3.345 1.00 22.01 H new ATOM 0 HD21 LEU A 486 -4.282 -5.556 -1.970 1.00 65.32 H new ATOM 0 HD22 LEU A 486 -4.883 -6.436 -3.395 1.00 65.32 H new ATOM 0 HD23 LEU A 486 -5.852 -6.391 -1.903 1.00 65.32 H new ATOM 1719 N TYR A 487 -5.494 -10.880 0.348 1.00 44.13 N ATOM 1720 CA TYR A 487 -5.656 -11.110 1.817 1.00 60.11 C ATOM 1721 C TYR A 487 -4.599 -12.106 2.351 1.00 13.50 C ATOM 1722 O TYR A 487 -4.024 -11.908 3.428 1.00 51.32 O ATOM 1723 CB TYR A 487 -7.075 -11.674 2.145 1.00 31.23 C ATOM 1724 CG TYR A 487 -8.265 -10.698 2.084 1.00 41.33 C ATOM 1725 CD1 TYR A 487 -8.134 -9.364 1.686 1.00 71.23 C ATOM 1726 CD2 TYR A 487 -9.543 -11.133 2.462 1.00 23.40 C ATOM 1727 CE1 TYR A 487 -9.225 -8.520 1.665 1.00 21.13 C ATOM 1728 CE2 TYR A 487 -10.627 -10.282 2.445 1.00 55.05 C ATOM 1729 CZ TYR A 487 -10.461 -8.979 2.046 1.00 74.22 C ATOM 1730 OH TYR A 487 -11.538 -8.121 2.043 1.00 34.51 O ATOM 0 H TYR A 487 -6.343 -11.064 -0.186 1.00 44.13 H new ATOM 0 HA TYR A 487 -5.523 -10.143 2.302 1.00 60.11 H new ATOM 0 HB2 TYR A 487 -7.278 -12.494 1.456 1.00 31.23 H new ATOM 0 HB3 TYR A 487 -7.043 -12.101 3.147 1.00 31.23 H new ATOM 0 HD1 TYR A 487 -7.165 -8.989 1.391 1.00 71.23 H new ATOM 0 HD2 TYR A 487 -9.681 -12.158 2.773 1.00 23.40 H new ATOM 0 HE1 TYR A 487 -9.106 -7.495 1.348 1.00 21.13 H new ATOM 0 HE2 TYR A 487 -11.602 -10.638 2.744 1.00 55.05 H new ATOM 0 HH TYR A 487 -12.135 -8.348 1.299 1.00 34.51 H new ATOM 1740 N ARG A 488 -4.378 -13.176 1.566 1.00 0.41 N ATOM 1741 CA ARG A 488 -3.407 -14.241 1.884 1.00 63.13 C ATOM 1742 C ARG A 488 -1.958 -13.684 1.960 1.00 62.52 C ATOM 1743 O ARG A 488 -1.236 -13.973 2.902 1.00 25.23 O ATOM 1744 CB ARG A 488 -3.509 -15.363 0.816 1.00 43.51 C ATOM 1745 CG ARG A 488 -2.626 -16.607 1.085 1.00 43.43 C ATOM 1746 CD ARG A 488 -2.774 -17.680 -0.009 1.00 32.21 C ATOM 1747 NE ARG A 488 -1.967 -18.886 0.266 1.00 4.24 N ATOM 1748 CZ ARG A 488 -1.815 -19.905 -0.558 1.00 40.24 C ATOM 1749 NH1 ARG A 488 -2.372 -19.912 -1.731 1.00 73.52 N ATOM 1750 NH2 ARG A 488 -1.097 -20.925 -0.196 1.00 53.15 N ATOM 0 H ARG A 488 -4.872 -13.328 0.686 1.00 0.41 H new ATOM 0 HA ARG A 488 -3.647 -14.651 2.865 1.00 63.13 H new ATOM 0 HB2 ARG A 488 -4.549 -15.683 0.745 1.00 43.51 H new ATOM 0 HB3 ARG A 488 -3.237 -14.946 -0.154 1.00 43.51 H new ATOM 0 HG2 ARG A 488 -1.582 -16.301 1.151 1.00 43.43 H new ATOM 0 HG3 ARG A 488 -2.893 -17.037 2.050 1.00 43.43 H new ATOM 0 HD2 ARG A 488 -3.823 -17.962 -0.097 1.00 32.21 H new ATOM 0 HD3 ARG A 488 -2.476 -17.259 -0.969 1.00 32.21 H new ATOM 0 HE ARG A 488 -1.489 -18.935 1.166 1.00 4.24 H new ATOM 0 HH11 ARG A 488 -2.940 -19.119 -2.031 1.00 73.52 H new ATOM 0 HH12 ARG A 488 -2.242 -20.710 -2.353 1.00 73.52 H new ATOM 0 HH21 ARG A 488 -0.653 -20.936 0.722 1.00 53.15 H new ATOM 0 HH22 ARG A 488 -0.977 -21.715 -0.830 1.00 53.15 H new ATOM 1764 N ILE A 489 -1.582 -12.867 0.965 1.00 61.31 N ATOM 1765 CA ILE A 489 -0.234 -12.241 0.851 1.00 0.44 C ATOM 1766 C ILE A 489 0.056 -11.227 1.995 1.00 22.24 C ATOM 1767 O ILE A 489 1.094 -11.305 2.672 1.00 63.23 O ATOM 1768 CB ILE A 489 -0.125 -11.520 -0.547 1.00 11.44 C ATOM 1769 CG1 ILE A 489 -0.218 -12.563 -1.708 1.00 51.43 C ATOM 1770 CG2 ILE A 489 1.148 -10.648 -0.664 1.00 44.31 C ATOM 1771 CD1 ILE A 489 -0.247 -11.961 -3.102 1.00 50.40 C ATOM 0 H ILE A 489 -2.207 -12.612 0.200 1.00 61.31 H new ATOM 0 HA ILE A 489 0.511 -13.032 0.937 1.00 0.44 H new ATOM 0 HB ILE A 489 -0.970 -10.837 -0.630 1.00 11.44 H new ATOM 0 HG12 ILE A 489 0.632 -13.241 -1.638 1.00 51.43 H new ATOM 0 HG13 ILE A 489 -1.117 -13.163 -1.568 1.00 51.43 H new ATOM 0 HG21 ILE A 489 1.175 -10.174 -1.645 1.00 44.31 H new ATOM 0 HG22 ILE A 489 1.136 -9.881 0.110 1.00 44.31 H new ATOM 0 HG23 ILE A 489 2.031 -11.275 -0.539 1.00 44.31 H new ATOM 0 HD11 ILE A 489 -0.312 -12.759 -3.842 1.00 50.40 H new ATOM 0 HD12 ILE A 489 -1.113 -11.306 -3.198 1.00 50.40 H new ATOM 0 HD13 ILE A 489 0.663 -11.385 -3.269 1.00 50.40 H new ATOM 1783 N MET A 490 -0.871 -10.285 2.188 1.00 31.13 N ATOM 1784 CA MET A 490 -0.721 -9.187 3.170 1.00 1.43 C ATOM 1785 C MET A 490 -0.765 -9.731 4.621 1.00 23.30 C ATOM 1786 O MET A 490 0.037 -9.332 5.472 1.00 2.10 O ATOM 1787 CB MET A 490 -1.832 -8.133 2.932 1.00 25.34 C ATOM 1788 CG MET A 490 -1.923 -7.646 1.470 1.00 51.21 C ATOM 1789 SD MET A 490 -0.490 -6.705 0.915 1.00 35.32 S ATOM 1790 CE MET A 490 -0.750 -5.153 1.760 1.00 4.35 C ATOM 0 H MET A 490 -1.750 -10.255 1.672 1.00 31.13 H new ATOM 0 HA MET A 490 0.251 -8.713 3.033 1.00 1.43 H new ATOM 0 HB2 MET A 490 -2.792 -8.558 3.224 1.00 25.34 H new ATOM 0 HB3 MET A 490 -1.652 -7.276 3.581 1.00 25.34 H new ATOM 0 HG2 MET A 490 -2.051 -8.510 0.818 1.00 51.21 H new ATOM 0 HG3 MET A 490 -2.814 -7.028 1.359 1.00 51.21 H new ATOM 0 HE1 MET A 490 -0.235 -4.356 1.224 1.00 4.35 H new ATOM 0 HE2 MET A 490 -1.817 -4.934 1.798 1.00 4.35 H new ATOM 0 HE3 MET A 490 -0.357 -5.221 2.774 1.00 4.35 H new ATOM 1800 N GLY A 491 -1.701 -10.677 4.862 1.00 40.55 N ATOM 1801 CA GLY A 491 -1.815 -11.383 6.153 1.00 3.11 C ATOM 1802 C GLY A 491 -0.649 -12.346 6.442 1.00 75.24 C ATOM 1803 O GLY A 491 -0.342 -12.627 7.607 1.00 53.12 O ATOM 0 H GLY A 491 -2.392 -10.969 4.171 1.00 40.55 H new ATOM 0 HA2 GLY A 491 -1.873 -10.647 6.955 1.00 3.11 H new ATOM 0 HA3 GLY A 491 -2.749 -11.944 6.168 1.00 3.11 H new ATOM 1807 N ASN A 492 -0.021 -12.869 5.372 1.00 23.30 N ATOM 1808 CA ASN A 492 1.208 -13.707 5.456 1.00 34.13 C ATOM 1809 C ASN A 492 2.386 -12.911 6.076 1.00 72.04 C ATOM 1810 O ASN A 492 3.085 -13.403 6.972 1.00 51.51 O ATOM 1811 CB ASN A 492 1.568 -14.223 4.033 1.00 30.31 C ATOM 1812 CG ASN A 492 2.921 -14.917 3.912 1.00 4.31 C ATOM 1813 OD1 ASN A 492 3.049 -16.114 4.136 1.00 11.40 O ATOM 1814 ND2 ASN A 492 3.937 -14.169 3.525 1.00 62.03 N ATOM 0 H ASN A 492 -0.347 -12.726 4.416 1.00 23.30 H new ATOM 0 HA ASN A 492 1.018 -14.558 6.110 1.00 34.13 H new ATOM 0 HB2 ASN A 492 0.792 -14.917 3.710 1.00 30.31 H new ATOM 0 HB3 ASN A 492 1.548 -13.379 3.343 1.00 30.31 H new ATOM 0 HD21 ASN A 492 4.860 -14.586 3.405 1.00 62.03 H new ATOM 0 HD22 ASN A 492 3.799 -13.174 3.346 1.00 62.03 H new ATOM 1821 N GLY A 493 2.595 -11.681 5.572 1.00 3.21 N ATOM 1822 CA GLY A 493 3.637 -10.783 6.094 1.00 5.43 C ATOM 1823 C GLY A 493 4.201 -9.834 5.034 1.00 44.11 C ATOM 1824 O GLY A 493 5.417 -9.602 4.979 1.00 44.15 O ATOM 0 H GLY A 493 2.054 -11.287 4.802 1.00 3.21 H new ATOM 0 HA2 GLY A 493 3.224 -10.197 6.915 1.00 5.43 H new ATOM 0 HA3 GLY A 493 4.450 -11.381 6.506 1.00 5.43 H new ATOM 1828 N PHE A 494 3.317 -9.275 4.190 1.00 15.14 N ATOM 1829 CA PHE A 494 3.704 -8.313 3.130 1.00 11.24 C ATOM 1830 C PHE A 494 2.915 -6.999 3.246 1.00 64.21 C ATOM 1831 O PHE A 494 1.888 -6.914 3.928 1.00 4.31 O ATOM 1832 CB PHE A 494 3.515 -8.929 1.715 1.00 73.15 C ATOM 1833 CG PHE A 494 4.548 -9.995 1.353 1.00 12.15 C ATOM 1834 CD1 PHE A 494 5.807 -9.622 0.874 1.00 62.04 C ATOM 1835 CD2 PHE A 494 4.279 -11.356 1.498 1.00 20.23 C ATOM 1836 CE1 PHE A 494 6.757 -10.573 0.550 1.00 41.42 C ATOM 1837 CE2 PHE A 494 5.232 -12.307 1.173 1.00 60.41 C ATOM 1838 CZ PHE A 494 6.470 -11.915 0.698 1.00 53.02 C ATOM 0 H PHE A 494 2.317 -9.473 4.218 1.00 15.14 H new ATOM 0 HA PHE A 494 4.761 -8.089 3.271 1.00 11.24 H new ATOM 0 HB2 PHE A 494 2.519 -9.368 1.652 1.00 73.15 H new ATOM 0 HB3 PHE A 494 3.559 -8.130 0.974 1.00 73.15 H new ATOM 0 HD1 PHE A 494 6.041 -8.574 0.755 1.00 62.04 H new ATOM 0 HD2 PHE A 494 3.315 -11.672 1.868 1.00 20.23 H new ATOM 0 HE1 PHE A 494 7.724 -10.266 0.181 1.00 41.42 H new ATOM 0 HE2 PHE A 494 5.008 -13.357 1.291 1.00 60.41 H new ATOM 0 HZ PHE A 494 7.211 -12.658 0.443 1.00 53.02 H new ATOM 1848 N ALA A 495 3.428 -5.984 2.552 1.00 62.13 N ATOM 1849 CA ALA A 495 2.869 -4.634 2.533 1.00 30.11 C ATOM 1850 C ALA A 495 2.975 -4.043 1.113 1.00 65.23 C ATOM 1851 O ALA A 495 3.949 -4.298 0.387 1.00 52.32 O ATOM 1852 CB ALA A 495 3.594 -3.775 3.558 1.00 54.30 C ATOM 0 H ALA A 495 4.263 -6.080 1.974 1.00 62.13 H new ATOM 0 HA ALA A 495 1.812 -4.662 2.800 1.00 30.11 H new ATOM 0 HB1 ALA A 495 3.179 -2.767 3.546 1.00 54.30 H new ATOM 0 HB2 ALA A 495 3.468 -4.208 4.550 1.00 54.30 H new ATOM 0 HB3 ALA A 495 4.655 -3.734 3.313 1.00 54.30 H new ATOM 1858 N GLY A 496 1.988 -3.221 0.745 1.00 45.43 N ATOM 1859 CA GLY A 496 1.821 -2.753 -0.631 1.00 54.21 C ATOM 1860 C GLY A 496 2.370 -1.348 -0.882 1.00 74.22 C ATOM 1861 O GLY A 496 1.657 -0.359 -0.719 1.00 23.11 O ATOM 0 H GLY A 496 1.285 -2.863 1.392 1.00 45.43 H new ATOM 0 HA2 GLY A 496 2.318 -3.452 -1.304 1.00 54.21 H new ATOM 0 HA3 GLY A 496 0.761 -2.768 -0.883 1.00 54.21 H new ATOM 1865 N CYS A 497 3.639 -1.264 -1.306 1.00 65.11 N ATOM 1866 CA CYS A 497 4.307 0.024 -1.604 1.00 73.25 C ATOM 1867 C CYS A 497 3.801 0.593 -2.951 1.00 0.52 C ATOM 1868 O CYS A 497 4.277 0.204 -4.021 1.00 13.30 O ATOM 1869 CB CYS A 497 5.846 -0.162 -1.619 1.00 70.44 C ATOM 1870 SG CYS A 497 6.788 1.379 -1.551 1.00 51.45 S ATOM 0 H CYS A 497 4.234 -2.079 -1.453 1.00 65.11 H new ATOM 0 HA CYS A 497 4.059 0.741 -0.821 1.00 73.25 H new ATOM 0 HB2 CYS A 497 6.132 -0.786 -0.772 1.00 70.44 H new ATOM 0 HB3 CYS A 497 6.125 -0.704 -2.523 1.00 70.44 H new ATOM 0 HG CYS A 497 7.268 1.646 -2.729 1.00 51.45 H new ATOM 1876 N VAL A 498 2.792 1.476 -2.890 1.00 4.25 N ATOM 1877 CA VAL A 498 2.173 2.076 -4.091 1.00 74.53 C ATOM 1878 C VAL A 498 3.038 3.245 -4.623 1.00 74.00 C ATOM 1879 O VAL A 498 2.974 4.367 -4.107 1.00 61.13 O ATOM 1880 CB VAL A 498 0.703 2.564 -3.802 1.00 14.44 C ATOM 1881 CG1 VAL A 498 0.035 3.147 -5.075 1.00 53.13 C ATOM 1882 CG2 VAL A 498 -0.158 1.420 -3.203 1.00 14.02 C ATOM 0 H VAL A 498 2.381 1.796 -2.013 1.00 4.25 H new ATOM 0 HA VAL A 498 2.121 1.302 -4.857 1.00 74.53 H new ATOM 0 HB VAL A 498 0.765 3.364 -3.065 1.00 14.44 H new ATOM 0 HG11 VAL A 498 -0.978 3.473 -4.838 1.00 53.13 H new ATOM 0 HG12 VAL A 498 0.615 3.997 -5.434 1.00 53.13 H new ATOM 0 HG13 VAL A 498 -0.003 2.381 -5.849 1.00 53.13 H new ATOM 0 HG21 VAL A 498 -1.167 1.785 -3.014 1.00 14.02 H new ATOM 0 HG22 VAL A 498 -0.199 0.589 -3.907 1.00 14.02 H new ATOM 0 HG23 VAL A 498 0.287 1.082 -2.267 1.00 14.02 H new ATOM 1892 N HIS A 499 3.878 2.949 -5.630 1.00 45.20 N ATOM 1893 CA HIS A 499 4.773 3.945 -6.260 1.00 1.21 C ATOM 1894 C HIS A 499 4.046 4.695 -7.405 1.00 53.12 C ATOM 1895 O HIS A 499 3.768 4.120 -8.465 1.00 32.01 O ATOM 1896 CB HIS A 499 6.062 3.269 -6.800 1.00 72.43 C ATOM 1897 CG HIS A 499 6.960 2.680 -5.730 1.00 71.14 C ATOM 1898 ND1 HIS A 499 8.014 3.393 -5.203 1.00 41.34 N ATOM 1899 CD2 HIS A 499 6.933 1.457 -5.149 1.00 62.04 C ATOM 1900 CE1 HIS A 499 8.594 2.595 -4.326 1.00 31.24 C ATOM 1901 NE2 HIS A 499 7.975 1.410 -4.260 1.00 32.34 N ATOM 0 H HIS A 499 3.958 2.015 -6.032 1.00 45.20 H new ATOM 0 HA HIS A 499 5.055 4.668 -5.495 1.00 1.21 H new ATOM 0 HB2 HIS A 499 5.778 2.478 -7.494 1.00 72.43 H new ATOM 0 HB3 HIS A 499 6.631 4.004 -7.370 1.00 72.43 H new ATOM 0 HD2 HIS A 499 6.224 0.667 -5.349 1.00 62.04 H new ATOM 0 HE1 HIS A 499 9.458 2.864 -3.737 1.00 31.24 H new ATOM 0 HE2 HIS A 499 8.230 0.623 -3.663 1.00 32.34 H new ATOM 1909 N PHE A 500 3.720 5.973 -7.155 1.00 70.13 N ATOM 1910 CA PHE A 500 3.196 6.901 -8.179 1.00 73.04 C ATOM 1911 C PHE A 500 4.355 7.342 -9.116 1.00 50.41 C ATOM 1912 O PHE A 500 5.463 7.594 -8.620 1.00 31.14 O ATOM 1913 CB PHE A 500 2.570 8.155 -7.497 1.00 41.11 C ATOM 1914 CG PHE A 500 1.323 7.889 -6.641 1.00 44.31 C ATOM 1915 CD1 PHE A 500 1.377 7.063 -5.512 1.00 63.24 C ATOM 1916 CD2 PHE A 500 0.098 8.491 -6.947 1.00 54.43 C ATOM 1917 CE1 PHE A 500 0.257 6.847 -4.730 1.00 40.21 C ATOM 1918 CE2 PHE A 500 -1.017 8.272 -6.163 1.00 12.43 C ATOM 1919 CZ PHE A 500 -0.939 7.450 -5.057 1.00 54.12 C ATOM 0 H PHE A 500 3.812 6.398 -6.232 1.00 70.13 H new ATOM 0 HA PHE A 500 2.426 6.394 -8.760 1.00 73.04 H new ATOM 0 HB2 PHE A 500 3.328 8.621 -6.868 1.00 41.11 H new ATOM 0 HB3 PHE A 500 2.310 8.877 -8.272 1.00 41.11 H new ATOM 0 HD1 PHE A 500 2.309 6.586 -5.247 1.00 63.24 H new ATOM 0 HD2 PHE A 500 0.023 9.137 -7.809 1.00 54.43 H new ATOM 0 HE1 PHE A 500 0.319 6.206 -3.863 1.00 40.21 H new ATOM 0 HE2 PHE A 500 -1.954 8.746 -6.416 1.00 12.43 H new ATOM 0 HZ PHE A 500 -1.814 7.279 -4.448 1.00 54.12 H new ATOM 1929 N PRO A 501 4.133 7.425 -10.476 1.00 13.25 N ATOM 1930 CA PRO A 501 5.165 7.915 -11.447 1.00 22.22 C ATOM 1931 C PRO A 501 5.781 9.276 -11.018 1.00 30.12 C ATOM 1932 O PRO A 501 6.995 9.375 -10.800 1.00 33.34 O ATOM 1933 CB PRO A 501 4.373 8.033 -12.778 1.00 32.10 C ATOM 1934 CG PRO A 501 3.277 7.018 -12.643 1.00 13.54 C ATOM 1935 CD PRO A 501 2.875 7.040 -11.180 1.00 14.02 C ATOM 0 HA PRO A 501 6.023 7.246 -11.518 1.00 22.22 H new ATOM 0 HB2 PRO A 501 3.972 9.037 -12.915 1.00 32.10 H new ATOM 0 HB3 PRO A 501 5.007 7.823 -13.639 1.00 32.10 H new ATOM 0 HG2 PRO A 501 2.432 7.267 -13.285 1.00 13.54 H new ATOM 0 HG3 PRO A 501 3.622 6.027 -12.939 1.00 13.54 H new ATOM 0 HD2 PRO A 501 2.076 7.758 -10.995 1.00 14.02 H new ATOM 0 HD3 PRO A 501 2.512 6.067 -10.849 1.00 14.02 H new ATOM 2024 N VAL A 508 1.789 13.016 -2.888 1.00 72.43 N ATOM 2025 CA VAL A 508 1.792 11.546 -2.692 1.00 44.01 C ATOM 2026 C VAL A 508 2.601 10.829 -3.801 1.00 1.24 C ATOM 2027 O VAL A 508 2.044 10.350 -4.787 1.00 73.34 O ATOM 2028 CB VAL A 508 0.321 10.992 -2.633 1.00 50.05 C ATOM 2029 CG1 VAL A 508 0.273 9.502 -2.203 1.00 44.02 C ATOM 2030 CG2 VAL A 508 -0.541 11.876 -1.707 1.00 22.35 C ATOM 0 HA VAL A 508 2.279 11.339 -1.739 1.00 44.01 H new ATOM 0 HB VAL A 508 -0.094 11.034 -3.640 1.00 50.05 H new ATOM 0 HG11 VAL A 508 -0.763 9.164 -2.177 1.00 44.02 H new ATOM 0 HG12 VAL A 508 0.833 8.899 -2.917 1.00 44.02 H new ATOM 0 HG13 VAL A 508 0.715 9.395 -1.212 1.00 44.02 H new ATOM 0 HG21 VAL A 508 -1.558 11.484 -1.673 1.00 22.35 H new ATOM 0 HG22 VAL A 508 -0.117 11.873 -0.703 1.00 22.35 H new ATOM 0 HG23 VAL A 508 -0.558 12.896 -2.090 1.00 22.35 H new ATOM 2040 N ARG A 509 3.936 10.827 -3.658 1.00 24.15 N ATOM 2041 CA ARG A 509 4.844 10.109 -4.586 1.00 72.33 C ATOM 2042 C ARG A 509 4.816 8.586 -4.291 1.00 3.12 C ATOM 2043 O ARG A 509 4.984 7.758 -5.194 1.00 61.31 O ATOM 2044 CB ARG A 509 6.283 10.723 -4.484 1.00 62.43 C ATOM 2045 CG ARG A 509 7.376 10.117 -5.426 1.00 61.00 C ATOM 2046 CD ARG A 509 8.087 8.879 -4.832 1.00 2.33 C ATOM 2047 NE ARG A 509 8.958 8.197 -5.812 1.00 43.53 N ATOM 2048 CZ ARG A 509 8.878 6.926 -6.142 1.00 24.51 C ATOM 2049 NH1 ARG A 509 7.931 6.166 -5.678 1.00 11.12 N ATOM 2050 NH2 ARG A 509 9.729 6.430 -6.977 1.00 64.51 N ATOM 0 H ARG A 509 4.419 11.316 -2.905 1.00 24.15 H new ATOM 0 HA ARG A 509 4.508 10.233 -5.615 1.00 72.33 H new ATOM 0 HB2 ARG A 509 6.212 11.791 -4.689 1.00 62.43 H new ATOM 0 HB3 ARG A 509 6.625 10.618 -3.454 1.00 62.43 H new ATOM 0 HG2 ARG A 509 6.914 9.841 -6.374 1.00 61.00 H new ATOM 0 HG3 ARG A 509 8.120 10.883 -5.645 1.00 61.00 H new ATOM 0 HD2 ARG A 509 8.684 9.185 -3.973 1.00 2.33 H new ATOM 0 HD3 ARG A 509 7.339 8.176 -4.466 1.00 2.33 H new ATOM 0 HE ARG A 509 9.678 8.756 -6.269 1.00 43.53 H new ATOM 0 HH11 ARG A 509 7.231 6.553 -5.045 1.00 11.12 H new ATOM 0 HH12 ARG A 509 7.888 5.183 -5.947 1.00 11.12 H new ATOM 0 HH21 ARG A 509 10.457 7.023 -7.376 1.00 64.51 H new ATOM 0 HH22 ARG A 509 9.673 5.445 -7.238 1.00 64.51 H new ATOM 2064 N VAL A 510 4.610 8.236 -3.013 1.00 1.45 N ATOM 2065 CA VAL A 510 4.453 6.840 -2.563 1.00 4.03 C ATOM 2066 C VAL A 510 3.556 6.784 -1.300 1.00 63.42 C ATOM 2067 O VAL A 510 3.377 7.796 -0.607 1.00 74.42 O ATOM 2068 CB VAL A 510 5.861 6.163 -2.270 1.00 41.32 C ATOM 2069 CG1 VAL A 510 6.522 6.710 -0.974 1.00 2.12 C ATOM 2070 CG2 VAL A 510 5.766 4.612 -2.242 1.00 74.32 C ATOM 0 H VAL A 510 4.547 8.916 -2.256 1.00 1.45 H new ATOM 0 HA VAL A 510 3.974 6.280 -3.366 1.00 4.03 H new ATOM 0 HB VAL A 510 6.511 6.437 -3.101 1.00 41.32 H new ATOM 0 HG11 VAL A 510 7.481 6.216 -0.818 1.00 2.12 H new ATOM 0 HG12 VAL A 510 6.679 7.784 -1.071 1.00 2.12 H new ATOM 0 HG13 VAL A 510 5.870 6.514 -0.123 1.00 2.12 H new ATOM 0 HG21 VAL A 510 6.751 4.191 -2.039 1.00 74.32 H new ATOM 0 HG22 VAL A 510 5.071 4.304 -1.461 1.00 74.32 H new ATOM 0 HG23 VAL A 510 5.410 4.252 -3.207 1.00 74.32 H new ATOM 2080 N LEU A 511 2.967 5.609 -1.043 1.00 75.11 N ATOM 2081 CA LEU A 511 2.283 5.300 0.229 1.00 21.33 C ATOM 2082 C LEU A 511 2.397 3.794 0.535 1.00 2.33 C ATOM 2083 O LEU A 511 2.741 2.998 -0.348 1.00 51.20 O ATOM 2084 CB LEU A 511 0.796 5.784 0.186 1.00 45.44 C ATOM 2085 CG LEU A 511 -0.183 5.117 -0.864 1.00 22.13 C ATOM 2086 CD1 LEU A 511 -0.793 3.789 -0.349 1.00 22.44 C ATOM 2087 CD2 LEU A 511 -1.306 6.096 -1.301 1.00 12.33 C ATOM 0 H LEU A 511 2.949 4.839 -1.712 1.00 75.11 H new ATOM 0 HA LEU A 511 2.770 5.840 1.041 1.00 21.33 H new ATOM 0 HB2 LEU A 511 0.370 5.635 1.178 1.00 45.44 H new ATOM 0 HB3 LEU A 511 0.802 6.858 -0.001 1.00 45.44 H new ATOM 0 HG LEU A 511 0.426 4.879 -1.736 1.00 22.13 H new ATOM 0 HD11 LEU A 511 -1.456 3.375 -1.108 1.00 22.44 H new ATOM 0 HD12 LEU A 511 0.007 3.079 -0.139 1.00 22.44 H new ATOM 0 HD13 LEU A 511 -1.359 3.978 0.563 1.00 22.44 H new ATOM 0 HD21 LEU A 511 -1.958 5.603 -2.022 1.00 12.33 H new ATOM 0 HD22 LEU A 511 -1.888 6.394 -0.429 1.00 12.33 H new ATOM 0 HD23 LEU A 511 -0.861 6.979 -1.759 1.00 12.33 H new ATOM 2099 N MET A 512 2.107 3.393 1.788 1.00 45.33 N ATOM 2100 CA MET A 512 2.105 1.968 2.179 1.00 34.14 C ATOM 2101 C MET A 512 0.691 1.447 2.455 1.00 3.03 C ATOM 2102 O MET A 512 -0.019 1.949 3.325 1.00 11.01 O ATOM 2103 CB MET A 512 3.006 1.711 3.401 1.00 21.05 C ATOM 2104 CG MET A 512 4.493 1.890 3.111 1.00 20.21 C ATOM 2105 SD MET A 512 5.058 1.007 1.639 1.00 53.12 S ATOM 2106 CE MET A 512 4.567 -0.674 2.017 1.00 73.11 C ATOM 0 H MET A 512 1.871 4.034 2.546 1.00 45.33 H new ATOM 0 HA MET A 512 2.509 1.419 1.328 1.00 34.14 H new ATOM 0 HB2 MET A 512 2.717 2.389 4.204 1.00 21.05 H new ATOM 0 HB3 MET A 512 2.834 0.697 3.762 1.00 21.05 H new ATOM 0 HG2 MET A 512 4.705 2.952 2.990 1.00 20.21 H new ATOM 0 HG3 MET A 512 5.066 1.546 3.972 1.00 20.21 H new ATOM 0 HE1 MET A 512 5.062 -1.361 1.330 1.00 73.11 H new ATOM 0 HE2 MET A 512 4.854 -0.915 3.041 1.00 73.11 H new ATOM 0 HE3 MET A 512 3.486 -0.770 1.911 1.00 73.11 H new ATOM 2116 N LEU A 513 0.327 0.399 1.722 1.00 41.24 N ATOM 2117 CA LEU A 513 -0.949 -0.298 1.873 1.00 43.35 C ATOM 2118 C LEU A 513 -0.800 -1.388 2.955 1.00 61.42 C ATOM 2119 O LEU A 513 0.039 -2.282 2.827 1.00 62.24 O ATOM 2120 CB LEU A 513 -1.372 -0.917 0.520 1.00 42.22 C ATOM 2121 CG LEU A 513 -2.810 -1.516 0.469 1.00 73.40 C ATOM 2122 CD1 LEU A 513 -3.871 -0.402 0.575 1.00 61.11 C ATOM 2123 CD2 LEU A 513 -3.020 -2.384 -0.790 1.00 21.22 C ATOM 0 H LEU A 513 0.920 0.002 0.993 1.00 41.24 H new ATOM 0 HA LEU A 513 -1.724 0.403 2.181 1.00 43.35 H new ATOM 0 HB2 LEU A 513 -1.291 -0.150 -0.250 1.00 42.22 H new ATOM 0 HB3 LEU A 513 -0.662 -1.703 0.264 1.00 42.22 H new ATOM 0 HG LEU A 513 -2.929 -2.173 1.331 1.00 73.40 H new ATOM 0 HD11 LEU A 513 -4.867 -0.843 0.537 1.00 61.11 H new ATOM 0 HD12 LEU A 513 -3.746 0.131 1.517 1.00 61.11 H new ATOM 0 HD13 LEU A 513 -3.751 0.295 -0.255 1.00 61.11 H new ATOM 0 HD21 LEU A 513 -4.034 -2.784 -0.791 1.00 21.22 H new ATOM 0 HD22 LEU A 513 -2.870 -1.775 -1.681 1.00 21.22 H new ATOM 0 HD23 LEU A 513 -2.305 -3.207 -0.788 1.00 21.22 H new ATOM 2135 N LEU A 514 -1.587 -1.290 4.034 1.00 53.31 N ATOM 2136 CA LEU A 514 -1.534 -2.228 5.177 1.00 74.13 C ATOM 2137 C LEU A 514 -2.938 -2.774 5.487 1.00 12.13 C ATOM 2138 O LEU A 514 -3.794 -2.050 6.006 1.00 72.32 O ATOM 2139 CB LEU A 514 -0.931 -1.505 6.416 1.00 22.32 C ATOM 2140 CG LEU A 514 0.572 -1.103 6.278 1.00 63.15 C ATOM 2141 CD1 LEU A 514 1.065 -0.287 7.485 1.00 13.30 C ATOM 2142 CD2 LEU A 514 1.464 -2.341 6.053 1.00 73.43 C ATOM 0 H LEU A 514 -2.285 -0.555 4.145 1.00 53.31 H new ATOM 0 HA LEU A 514 -0.896 -3.074 4.921 1.00 74.13 H new ATOM 0 HB2 LEU A 514 -1.515 -0.606 6.614 1.00 22.32 H new ATOM 0 HB3 LEU A 514 -1.040 -2.154 7.285 1.00 22.32 H new ATOM 0 HG LEU A 514 0.649 -0.463 5.399 1.00 63.15 H new ATOM 0 HD11 LEU A 514 2.115 -0.030 7.346 1.00 13.30 H new ATOM 0 HD12 LEU A 514 0.476 0.626 7.572 1.00 13.30 H new ATOM 0 HD13 LEU A 514 0.954 -0.878 8.394 1.00 13.30 H new ATOM 0 HD21 LEU A 514 2.504 -2.028 5.961 1.00 73.43 H new ATOM 0 HD22 LEU A 514 1.363 -3.021 6.899 1.00 73.43 H new ATOM 0 HD23 LEU A 514 1.156 -2.850 5.140 1.00 73.43 H new ATOM 2154 N TYR A 515 -3.174 -4.049 5.148 1.00 71.35 N ATOM 2155 CA TYR A 515 -4.463 -4.707 5.417 1.00 13.05 C ATOM 2156 C TYR A 515 -4.553 -5.151 6.895 1.00 0.24 C ATOM 2157 O TYR A 515 -3.892 -6.113 7.311 1.00 23.51 O ATOM 2158 CB TYR A 515 -4.694 -5.919 4.476 1.00 52.01 C ATOM 2159 CG TYR A 515 -6.042 -6.625 4.717 1.00 62.23 C ATOM 2160 CD1 TYR A 515 -7.242 -5.904 4.677 1.00 55.24 C ATOM 2161 CD2 TYR A 515 -6.119 -7.993 5.008 1.00 12.01 C ATOM 2162 CE1 TYR A 515 -8.456 -6.516 4.915 1.00 74.31 C ATOM 2163 CE2 TYR A 515 -7.336 -8.609 5.245 1.00 34.13 C ATOM 2164 CZ TYR A 515 -8.501 -7.867 5.199 1.00 61.53 C ATOM 2165 OH TYR A 515 -9.715 -8.478 5.440 1.00 2.43 O ATOM 0 H TYR A 515 -2.489 -4.647 4.686 1.00 71.35 H new ATOM 0 HA TYR A 515 -5.248 -3.977 5.221 1.00 13.05 H new ATOM 0 HB2 TYR A 515 -4.648 -5.581 3.441 1.00 52.01 H new ATOM 0 HB3 TYR A 515 -3.885 -6.637 4.613 1.00 52.01 H new ATOM 0 HD1 TYR A 515 -7.217 -4.847 4.455 1.00 55.24 H new ATOM 0 HD2 TYR A 515 -5.212 -8.578 5.048 1.00 12.01 H new ATOM 0 HE1 TYR A 515 -9.369 -5.940 4.879 1.00 74.31 H new ATOM 0 HE2 TYR A 515 -7.375 -9.666 5.465 1.00 34.13 H new ATOM 0 HH TYR A 515 -10.097 -8.792 4.594 1.00 2.43 H new ATOM 2175 N SER A 516 -5.364 -4.428 7.677 1.00 32.23 N ATOM 2176 CA SER A 516 -5.695 -4.812 9.062 1.00 40.31 C ATOM 2177 C SER A 516 -6.880 -5.797 9.042 1.00 11.44 C ATOM 2178 O SER A 516 -8.023 -5.392 8.821 1.00 72.21 O ATOM 2179 CB SER A 516 -6.030 -3.559 9.902 1.00 52.21 C ATOM 2180 OG SER A 516 -4.910 -2.688 9.997 1.00 45.13 O ATOM 0 H SER A 516 -5.810 -3.563 7.372 1.00 32.23 H new ATOM 0 HA SER A 516 -4.836 -5.300 9.523 1.00 40.31 H new ATOM 0 HB2 SER A 516 -6.869 -3.029 9.450 1.00 52.21 H new ATOM 0 HB3 SER A 516 -6.345 -3.861 10.901 1.00 52.21 H new ATOM 0 HG SER A 516 -5.139 -1.817 9.610 1.00 45.13 H new ATOM 2186 N SER A 517 -6.578 -7.094 9.239 1.00 40.13 N ATOM 2187 CA SER A 517 -7.566 -8.205 9.155 1.00 61.22 C ATOM 2188 C SER A 517 -8.752 -8.043 10.142 1.00 4.21 C ATOM 2189 O SER A 517 -9.905 -8.307 9.782 1.00 42.30 O ATOM 2190 CB SER A 517 -6.852 -9.552 9.421 1.00 44.53 C ATOM 2191 OG SER A 517 -6.235 -9.560 10.704 1.00 14.34 O ATOM 0 H SER A 517 -5.635 -7.411 9.463 1.00 40.13 H new ATOM 0 HA SER A 517 -7.985 -8.182 8.149 1.00 61.22 H new ATOM 0 HB2 SER A 517 -7.572 -10.368 9.355 1.00 44.53 H new ATOM 0 HB3 SER A 517 -6.100 -9.727 8.651 1.00 44.53 H new ATOM 0 HG SER A 517 -5.792 -10.422 10.849 1.00 14.34 H new ATOM 2197 N LYS A 518 -8.449 -7.617 11.387 1.00 35.13 N ATOM 2198 CA LYS A 518 -9.476 -7.379 12.439 1.00 21.20 C ATOM 2199 C LYS A 518 -10.444 -6.229 12.046 1.00 63.24 C ATOM 2200 O LYS A 518 -11.654 -6.305 12.285 1.00 43.13 O ATOM 2201 CB LYS A 518 -8.792 -7.075 13.798 1.00 52.22 C ATOM 2202 CG LYS A 518 -9.769 -6.846 14.981 1.00 23.33 C ATOM 2203 CD LYS A 518 -9.048 -6.612 16.328 1.00 30.35 C ATOM 2204 CE LYS A 518 -8.218 -7.830 16.781 1.00 10.23 C ATOM 2205 NZ LYS A 518 -7.603 -7.637 18.116 1.00 72.52 N ATOM 0 H LYS A 518 -7.495 -7.428 11.695 1.00 35.13 H new ATOM 0 HA LYS A 518 -10.070 -8.288 12.537 1.00 21.20 H new ATOM 0 HB2 LYS A 518 -8.129 -7.903 14.048 1.00 52.22 H new ATOM 0 HB3 LYS A 518 -8.167 -6.189 13.684 1.00 52.22 H new ATOM 0 HG2 LYS A 518 -10.402 -5.986 14.760 1.00 23.33 H new ATOM 0 HG3 LYS A 518 -10.427 -7.710 15.073 1.00 23.33 H new ATOM 0 HD2 LYS A 518 -8.393 -5.745 16.239 1.00 30.35 H new ATOM 0 HD3 LYS A 518 -9.787 -6.376 17.094 1.00 30.35 H new ATOM 0 HE2 LYS A 518 -8.858 -8.712 16.804 1.00 10.23 H new ATOM 0 HE3 LYS A 518 -7.434 -8.023 16.049 1.00 10.23 H new ATOM 0 HZ1 LYS A 518 -7.057 -8.484 18.372 1.00 72.52 H new ATOM 0 HZ2 LYS A 518 -6.971 -6.812 18.091 1.00 72.52 H new ATOM 0 HZ3 LYS A 518 -8.350 -7.479 18.823 1.00 72.52 H new ATOM 2219 N LYS A 519 -9.879 -5.166 11.437 1.00 2.31 N ATOM 2220 CA LYS A 519 -10.654 -4.011 10.913 1.00 4.12 C ATOM 2221 C LYS A 519 -11.375 -4.355 9.581 1.00 53.23 C ATOM 2222 O LYS A 519 -12.364 -3.704 9.225 1.00 61.24 O ATOM 2223 CB LYS A 519 -9.706 -2.799 10.713 1.00 13.32 C ATOM 2224 CG LYS A 519 -9.101 -2.218 12.015 1.00 11.44 C ATOM 2225 CD LYS A 519 -10.176 -1.599 12.940 1.00 43.43 C ATOM 2226 CE LYS A 519 -9.587 -0.934 14.193 1.00 54.55 C ATOM 2227 NZ LYS A 519 -10.636 -0.314 15.044 1.00 14.14 N ATOM 0 H LYS A 519 -8.873 -5.080 11.292 1.00 2.31 H new ATOM 0 HA LYS A 519 -11.424 -3.761 11.643 1.00 4.12 H new ATOM 0 HB2 LYS A 519 -8.891 -3.099 10.054 1.00 13.32 H new ATOM 0 HB3 LYS A 519 -10.255 -2.008 10.201 1.00 13.32 H new ATOM 0 HG2 LYS A 519 -8.575 -3.007 12.552 1.00 11.44 H new ATOM 0 HG3 LYS A 519 -8.362 -1.458 11.761 1.00 11.44 H new ATOM 0 HD2 LYS A 519 -10.747 -0.859 12.378 1.00 43.43 H new ATOM 0 HD3 LYS A 519 -10.876 -2.377 13.245 1.00 43.43 H new ATOM 0 HE2 LYS A 519 -9.042 -1.677 14.775 1.00 54.55 H new ATOM 0 HE3 LYS A 519 -8.867 -0.172 13.894 1.00 54.55 H new ATOM 0 HZ1 LYS A 519 -10.193 0.123 15.878 1.00 14.14 H new ATOM 0 HZ2 LYS A 519 -11.140 0.414 14.499 1.00 14.14 H new ATOM 0 HZ3 LYS A 519 -11.309 -1.044 15.352 1.00 14.14 H new ATOM 2241 N LYS A 520 -10.834 -5.364 8.854 1.00 24.30 N ATOM 2242 CA LYS A 520 -11.342 -5.838 7.534 1.00 33.44 C ATOM 2243 C LYS A 520 -11.268 -4.706 6.458 1.00 62.44 C ATOM 2244 O LYS A 520 -11.985 -4.730 5.451 1.00 1.32 O ATOM 2245 CB LYS A 520 -12.786 -6.456 7.687 1.00 73.31 C ATOM 2246 CG LYS A 520 -13.037 -7.798 6.944 1.00 35.42 C ATOM 2247 CD LYS A 520 -13.114 -7.660 5.405 1.00 72.55 C ATOM 2248 CE LYS A 520 -13.340 -9.008 4.701 1.00 55.41 C ATOM 2249 NZ LYS A 520 -14.563 -9.703 5.182 1.00 2.14 N ATOM 0 H LYS A 520 -10.016 -5.884 9.172 1.00 24.30 H new ATOM 0 HA LYS A 520 -10.694 -6.637 7.173 1.00 33.44 H new ATOM 0 HB2 LYS A 520 -12.983 -6.609 8.748 1.00 73.31 H new ATOM 0 HB3 LYS A 520 -13.512 -5.725 7.330 1.00 73.31 H new ATOM 0 HG2 LYS A 520 -12.239 -8.496 7.196 1.00 35.42 H new ATOM 0 HG3 LYS A 520 -13.968 -8.234 7.307 1.00 35.42 H new ATOM 0 HD2 LYS A 520 -13.924 -6.978 5.145 1.00 72.55 H new ATOM 0 HD3 LYS A 520 -12.191 -7.213 5.037 1.00 72.55 H new ATOM 0 HE2 LYS A 520 -13.418 -8.844 3.626 1.00 55.41 H new ATOM 0 HE3 LYS A 520 -12.474 -9.649 4.864 1.00 55.41 H new ATOM 0 HZ1 LYS A 520 -14.755 -10.526 4.576 1.00 2.14 H new ATOM 0 HZ2 LYS A 520 -14.419 -10.020 6.162 1.00 2.14 H new ATOM 0 HZ3 LYS A 520 -15.371 -9.049 5.145 1.00 2.14 H new ATOM 2263 N ILE A 521 -10.359 -3.726 6.674 1.00 23.11 N ATOM 2264 CA ILE A 521 -10.117 -2.609 5.727 1.00 23.14 C ATOM 2265 C ILE A 521 -8.625 -2.523 5.357 1.00 14.23 C ATOM 2266 O ILE A 521 -7.743 -2.923 6.135 1.00 11.23 O ATOM 2267 CB ILE A 521 -10.580 -1.201 6.301 1.00 51.15 C ATOM 2268 CG1 ILE A 521 -9.782 -0.820 7.592 1.00 10.03 C ATOM 2269 CG2 ILE A 521 -12.102 -1.184 6.560 1.00 23.43 C ATOM 2270 CD1 ILE A 521 -10.103 0.547 8.185 1.00 41.32 C ATOM 0 H ILE A 521 -9.773 -3.686 7.508 1.00 23.11 H new ATOM 0 HA ILE A 521 -10.716 -2.829 4.844 1.00 23.14 H new ATOM 0 HB ILE A 521 -10.359 -0.446 5.546 1.00 51.15 H new ATOM 0 HG12 ILE A 521 -9.971 -1.579 8.351 1.00 10.03 H new ATOM 0 HG13 ILE A 521 -8.717 -0.856 7.363 1.00 10.03 H new ATOM 0 HG21 ILE A 521 -12.393 -0.210 6.952 1.00 23.43 H new ATOM 0 HG22 ILE A 521 -12.632 -1.373 5.626 1.00 23.43 H new ATOM 0 HG23 ILE A 521 -12.356 -1.958 7.284 1.00 23.43 H new ATOM 0 HD11 ILE A 521 -9.495 0.709 9.075 1.00 41.32 H new ATOM 0 HD12 ILE A 521 -9.885 1.322 7.450 1.00 41.32 H new ATOM 0 HD13 ILE A 521 -11.158 0.588 8.454 1.00 41.32 H new ATOM 2282 N PHE A 522 -8.355 -2.003 4.157 1.00 74.14 N ATOM 2283 CA PHE A 522 -7.000 -1.650 3.719 1.00 14.11 C ATOM 2284 C PHE A 522 -6.682 -0.204 4.143 1.00 14.04 C ATOM 2285 O PHE A 522 -7.507 0.696 3.979 1.00 31.40 O ATOM 2286 CB PHE A 522 -6.867 -1.805 2.193 1.00 54.12 C ATOM 2287 CG PHE A 522 -6.910 -3.245 1.707 1.00 31.00 C ATOM 2288 CD1 PHE A 522 -8.123 -3.908 1.535 1.00 31.43 C ATOM 2289 CD2 PHE A 522 -5.734 -3.937 1.423 1.00 13.44 C ATOM 2290 CE1 PHE A 522 -8.156 -5.210 1.095 1.00 24.20 C ATOM 2291 CE2 PHE A 522 -5.769 -5.242 0.985 1.00 63.00 C ATOM 2292 CZ PHE A 522 -6.979 -5.879 0.820 1.00 40.12 C ATOM 0 H PHE A 522 -9.073 -1.814 3.458 1.00 74.14 H new ATOM 0 HA PHE A 522 -6.287 -2.326 4.191 1.00 14.11 H new ATOM 0 HB2 PHE A 522 -7.669 -1.247 1.711 1.00 54.12 H new ATOM 0 HB3 PHE A 522 -5.928 -1.353 1.874 1.00 54.12 H new ATOM 0 HD1 PHE A 522 -9.048 -3.393 1.750 1.00 31.43 H new ATOM 0 HD2 PHE A 522 -4.782 -3.443 1.548 1.00 13.44 H new ATOM 0 HE1 PHE A 522 -9.104 -5.711 0.964 1.00 24.20 H new ATOM 0 HE2 PHE A 522 -4.849 -5.765 0.771 1.00 63.00 H new ATOM 0 HZ PHE A 522 -7.008 -6.902 0.475 1.00 40.12 H new ATOM 2302 N MET A 523 -5.501 -0.011 4.726 1.00 45.00 N ATOM 2303 CA MET A 523 -5.018 1.314 5.190 1.00 14.52 C ATOM 2304 C MET A 523 -3.916 1.844 4.249 1.00 20.24 C ATOM 2305 O MET A 523 -3.259 1.063 3.568 1.00 74.14 O ATOM 2306 CB MET A 523 -4.515 1.188 6.657 1.00 33.15 C ATOM 2307 CG MET A 523 -5.580 0.617 7.608 1.00 14.41 C ATOM 2308 SD MET A 523 -5.032 0.488 9.320 1.00 21.12 S ATOM 2309 CE MET A 523 -6.585 0.151 10.160 1.00 3.04 C ATOM 0 H MET A 523 -4.838 -0.767 4.897 1.00 45.00 H new ATOM 0 HA MET A 523 -5.834 2.036 5.167 1.00 14.52 H new ATOM 0 HB2 MET A 523 -3.634 0.547 6.680 1.00 33.15 H new ATOM 0 HB3 MET A 523 -4.204 2.170 7.015 1.00 33.15 H new ATOM 0 HG2 MET A 523 -6.467 1.249 7.567 1.00 14.41 H new ATOM 0 HG3 MET A 523 -5.876 -0.371 7.256 1.00 14.41 H new ATOM 0 HE1 MET A 523 -6.392 -0.059 11.212 1.00 3.04 H new ATOM 0 HE2 MET A 523 -7.239 1.019 10.078 1.00 3.04 H new ATOM 0 HE3 MET A 523 -7.068 -0.712 9.700 1.00 3.04 H new ATOM 2319 N GLY A 524 -3.732 3.171 4.210 1.00 72.33 N ATOM 2320 CA GLY A 524 -2.761 3.804 3.309 1.00 23.51 C ATOM 2321 C GLY A 524 -1.965 4.899 4.009 1.00 54.33 C ATOM 2322 O GLY A 524 -2.437 6.033 4.137 1.00 40.40 O ATOM 0 H GLY A 524 -4.246 3.829 4.796 1.00 72.33 H new ATOM 0 HA2 GLY A 524 -2.077 3.048 2.924 1.00 23.51 H new ATOM 0 HA3 GLY A 524 -3.284 4.227 2.451 1.00 23.51 H new ATOM 2326 N LEU A 525 -0.763 4.555 4.490 1.00 13.44 N ATOM 2327 CA LEU A 525 0.120 5.515 5.173 1.00 2.44 C ATOM 2328 C LEU A 525 0.952 6.319 4.144 1.00 42.03 C ATOM 2329 O LEU A 525 1.900 5.803 3.548 1.00 54.11 O ATOM 2330 CB LEU A 525 0.998 4.759 6.207 1.00 51.22 C ATOM 2331 CG LEU A 525 0.217 4.266 7.476 1.00 54.04 C ATOM 2332 CD1 LEU A 525 1.065 3.317 8.342 1.00 41.34 C ATOM 2333 CD2 LEU A 525 -0.294 5.468 8.309 1.00 72.44 C ATOM 0 H LEU A 525 -0.376 3.614 4.419 1.00 13.44 H new ATOM 0 HA LEU A 525 -0.474 6.247 5.720 1.00 2.44 H new ATOM 0 HB2 LEU A 525 1.455 3.898 5.719 1.00 51.22 H new ATOM 0 HB3 LEU A 525 1.810 5.413 6.525 1.00 51.22 H new ATOM 0 HG LEU A 525 -0.645 3.698 7.126 1.00 54.04 H new ATOM 0 HD11 LEU A 525 0.486 3.000 9.209 1.00 41.34 H new ATOM 0 HD12 LEU A 525 1.347 2.443 7.755 1.00 41.34 H new ATOM 0 HD13 LEU A 525 1.964 3.835 8.676 1.00 41.34 H new ATOM 0 HD21 LEU A 525 -0.832 5.102 9.183 1.00 72.44 H new ATOM 0 HD22 LEU A 525 0.553 6.074 8.631 1.00 72.44 H new ATOM 0 HD23 LEU A 525 -0.963 6.075 7.699 1.00 72.44 H new ATOM 2345 N ILE A 526 0.557 7.595 3.962 1.00 33.14 N ATOM 2346 CA ILE A 526 1.174 8.540 3.014 1.00 3.03 C ATOM 2347 C ILE A 526 2.226 9.424 3.735 1.00 32.41 C ATOM 2348 O ILE A 526 1.845 10.317 4.501 1.00 20.13 O ATOM 2349 CB ILE A 526 0.086 9.485 2.371 1.00 51.35 C ATOM 2350 CG1 ILE A 526 -1.053 8.658 1.687 1.00 64.43 C ATOM 2351 CG2 ILE A 526 0.752 10.476 1.382 1.00 34.25 C ATOM 2352 CD1 ILE A 526 -2.186 9.486 1.090 1.00 54.34 C ATOM 0 H ILE A 526 -0.218 8.005 4.483 1.00 33.14 H new ATOM 0 HA ILE A 526 1.654 7.951 2.232 1.00 3.03 H new ATOM 0 HB ILE A 526 -0.380 10.067 3.166 1.00 51.35 H new ATOM 0 HG12 ILE A 526 -0.614 8.049 0.897 1.00 64.43 H new ATOM 0 HG13 ILE A 526 -1.474 7.972 2.422 1.00 64.43 H new ATOM 0 HG21 ILE A 526 -0.010 11.122 0.946 1.00 34.25 H new ATOM 0 HG22 ILE A 526 1.483 11.085 1.914 1.00 34.25 H new ATOM 0 HG23 ILE A 526 1.252 9.919 0.590 1.00 34.25 H new ATOM 0 HD11 ILE A 526 -2.924 8.822 0.640 1.00 54.34 H new ATOM 0 HD12 ILE A 526 -2.659 10.075 1.876 1.00 54.34 H new ATOM 0 HD13 ILE A 526 -1.786 10.153 0.327 1.00 54.34 H new ATOM 2364 N PRO A 527 3.553 9.205 3.507 1.00 21.20 N ATOM 2365 CA PRO A 527 4.614 10.014 4.162 1.00 72.42 C ATOM 2366 C PRO A 527 4.626 11.496 3.691 1.00 51.30 C ATOM 2367 O PRO A 527 4.504 11.784 2.498 1.00 60.03 O ATOM 2368 CB PRO A 527 5.917 9.280 3.761 1.00 54.54 C ATOM 2369 CG PRO A 527 5.573 8.611 2.463 1.00 32.40 C ATOM 2370 CD PRO A 527 4.135 8.165 2.615 1.00 42.33 C ATOM 0 HA PRO A 527 4.468 10.084 5.240 1.00 72.42 H new ATOM 0 HB2 PRO A 527 6.747 9.976 3.643 1.00 54.54 H new ATOM 0 HB3 PRO A 527 6.215 8.554 4.517 1.00 54.54 H new ATOM 0 HG2 PRO A 527 5.686 9.298 1.624 1.00 32.40 H new ATOM 0 HG3 PRO A 527 6.230 7.763 2.271 1.00 32.40 H new ATOM 0 HD2 PRO A 527 3.622 8.124 1.654 1.00 42.33 H new ATOM 0 HD3 PRO A 527 4.066 7.171 3.056 1.00 42.33 H new ATOM 2378 N TYR A 528 4.726 12.428 4.651 1.00 14.43 N ATOM 2379 CA TYR A 528 5.026 13.851 4.360 1.00 11.33 C ATOM 2380 C TYR A 528 6.523 14.008 4.040 1.00 2.32 C ATOM 2381 O TYR A 528 6.917 14.809 3.186 1.00 54.12 O ATOM 2382 CB TYR A 528 4.617 14.751 5.551 1.00 21.41 C ATOM 2383 CG TYR A 528 3.102 14.936 5.691 1.00 25.11 C ATOM 2384 CD1 TYR A 528 2.265 13.867 6.031 1.00 52.23 C ATOM 2385 CD2 TYR A 528 2.506 16.178 5.458 1.00 24.51 C ATOM 2386 CE1 TYR A 528 0.897 14.036 6.135 1.00 43.50 C ATOM 2387 CE2 TYR A 528 1.142 16.348 5.565 1.00 44.54 C ATOM 2388 CZ TYR A 528 0.343 15.278 5.904 1.00 1.34 C ATOM 2389 OH TYR A 528 -1.016 15.453 6.013 1.00 30.41 O ATOM 0 H TYR A 528 4.604 12.226 5.643 1.00 14.43 H new ATOM 0 HA TYR A 528 4.446 14.167 3.493 1.00 11.33 H new ATOM 0 HB2 TYR A 528 5.008 14.319 6.472 1.00 21.41 H new ATOM 0 HB3 TYR A 528 5.084 15.729 5.434 1.00 21.41 H new ATOM 0 HD1 TYR A 528 2.695 12.894 6.215 1.00 52.23 H new ATOM 0 HD2 TYR A 528 3.125 17.021 5.189 1.00 24.51 H new ATOM 0 HE1 TYR A 528 0.265 13.200 6.396 1.00 43.50 H new ATOM 0 HE2 TYR A 528 0.701 17.317 5.384 1.00 44.54 H new ATOM 0 HH TYR A 528 -1.206 16.372 6.296 1.00 30.41 H new ATOM 2399 N ASP A 529 7.347 13.211 4.737 1.00 13.14 N ATOM 2400 CA ASP A 529 8.778 13.065 4.452 1.00 30.55 C ATOM 2401 C ASP A 529 8.979 12.003 3.340 1.00 24.34 C ATOM 2402 O ASP A 529 9.571 10.944 3.575 1.00 42.44 O ATOM 2403 CB ASP A 529 9.519 12.674 5.755 1.00 62.23 C ATOM 2404 CG ASP A 529 9.308 13.698 6.881 1.00 41.40 C ATOM 2405 OD1 ASP A 529 8.235 13.682 7.513 1.00 72.12 O ATOM 2406 OD2 ASP A 529 10.206 14.526 7.131 1.00 54.42 O ATOM 0 H ASP A 529 7.032 12.644 5.524 1.00 13.14 H new ATOM 0 HA ASP A 529 9.192 14.008 4.094 1.00 30.55 H new ATOM 0 HB2 ASP A 529 9.171 11.696 6.088 1.00 62.23 H new ATOM 0 HB3 ASP A 529 10.585 12.580 5.549 1.00 62.23 H new ATOM 2411 N GLN A 530 8.440 12.306 2.133 1.00 41.24 N ATOM 2412 CA GLN A 530 8.490 11.406 0.950 1.00 15.01 C ATOM 2413 C GLN A 530 9.938 10.955 0.619 1.00 51.50 C ATOM 2414 O GLN A 530 10.196 9.764 0.508 1.00 54.03 O ATOM 2415 CB GLN A 530 7.848 12.107 -0.289 1.00 54.42 C ATOM 2416 CG GLN A 530 6.301 12.182 -0.277 1.00 4.50 C ATOM 2417 CD GLN A 530 5.604 10.834 -0.552 1.00 10.40 C ATOM 2418 OE1 GLN A 530 6.144 9.972 -1.228 1.00 64.42 O ATOM 2419 NE2 GLN A 530 4.388 10.654 -0.059 1.00 33.22 N ATOM 0 H GLN A 530 7.956 13.185 1.950 1.00 41.24 H new ATOM 0 HA GLN A 530 7.918 10.512 1.197 1.00 15.01 H new ATOM 0 HB2 GLN A 530 8.244 13.120 -0.359 1.00 54.42 H new ATOM 0 HB3 GLN A 530 8.163 11.579 -1.189 1.00 54.42 H new ATOM 0 HG2 GLN A 530 5.973 12.557 0.693 1.00 4.50 H new ATOM 0 HG3 GLN A 530 5.977 12.906 -1.025 1.00 4.50 H new ATOM 0 HE21 GLN A 530 3.952 11.385 0.504 1.00 33.22 H new ATOM 0 HE22 GLN A 530 3.887 9.784 -0.242 1.00 33.22 H new ATOM 2428 N SER A 531 10.869 11.922 0.511 1.00 32.41 N ATOM 2429 CA SER A 531 12.299 11.645 0.189 1.00 34.11 C ATOM 2430 C SER A 531 12.971 10.723 1.242 1.00 25.33 C ATOM 2431 O SER A 531 13.626 9.736 0.889 1.00 62.21 O ATOM 2432 CB SER A 531 13.095 12.966 0.071 1.00 33.31 C ATOM 2433 OG SER A 531 14.476 12.728 -0.167 1.00 53.25 O ATOM 0 H SER A 531 10.663 12.912 0.642 1.00 32.41 H new ATOM 0 HA SER A 531 12.312 11.123 -0.768 1.00 34.11 H new ATOM 0 HB2 SER A 531 12.684 13.567 -0.740 1.00 33.31 H new ATOM 0 HB3 SER A 531 12.978 13.545 0.987 1.00 33.31 H new ATOM 0 HG SER A 531 14.948 13.584 -0.238 1.00 53.25 H new ATOM 2439 N GLY A 532 12.783 11.057 2.538 1.00 5.13 N ATOM 2440 CA GLY A 532 13.344 10.263 3.647 1.00 42.25 C ATOM 2441 C GLY A 532 12.755 8.852 3.754 1.00 44.00 C ATOM 2442 O GLY A 532 13.451 7.906 4.145 1.00 63.44 O ATOM 0 H GLY A 532 12.247 11.871 2.839 1.00 5.13 H new ATOM 0 HA2 GLY A 532 14.424 10.188 3.518 1.00 42.25 H new ATOM 0 HA3 GLY A 532 13.171 10.791 4.584 1.00 42.25 H new ATOM 2446 N PHE A 533 11.469 8.715 3.386 1.00 32.02 N ATOM 2447 CA PHE A 533 10.755 7.427 3.423 1.00 73.43 C ATOM 2448 C PHE A 533 11.216 6.499 2.274 1.00 42.15 C ATOM 2449 O PHE A 533 11.575 5.350 2.518 1.00 73.41 O ATOM 2450 CB PHE A 533 9.229 7.648 3.351 1.00 21.25 C ATOM 2451 CG PHE A 533 8.417 6.377 3.596 1.00 31.00 C ATOM 2452 CD1 PHE A 533 8.347 5.825 4.874 1.00 51.42 C ATOM 2453 CD2 PHE A 533 7.737 5.727 2.565 1.00 54.20 C ATOM 2454 CE1 PHE A 533 7.637 4.673 5.116 1.00 22.35 C ATOM 2455 CE2 PHE A 533 7.021 4.573 2.810 1.00 25.02 C ATOM 2456 CZ PHE A 533 6.977 4.048 4.087 1.00 0.43 C ATOM 0 H PHE A 533 10.897 9.492 3.055 1.00 32.02 H new ATOM 0 HA PHE A 533 10.994 6.942 4.369 1.00 73.43 H new ATOM 0 HB2 PHE A 533 8.944 8.400 4.087 1.00 21.25 H new ATOM 0 HB3 PHE A 533 8.974 8.049 2.370 1.00 21.25 H new ATOM 0 HD1 PHE A 533 8.861 6.312 5.690 1.00 51.42 H new ATOM 0 HD2 PHE A 533 7.772 6.132 1.564 1.00 54.20 H new ATOM 0 HE1 PHE A 533 7.598 4.260 6.113 1.00 22.35 H new ATOM 0 HE2 PHE A 533 6.496 4.081 2.005 1.00 25.02 H new ATOM 0 HZ PHE A 533 6.421 3.142 4.277 1.00 0.43 H new ATOM 2466 N VAL A 534 11.204 7.027 1.028 1.00 0.15 N ATOM 2467 CA VAL A 534 11.656 6.294 -0.189 1.00 73.34 C ATOM 2468 C VAL A 534 13.132 5.845 -0.056 1.00 20.25 C ATOM 2469 O VAL A 534 13.495 4.766 -0.512 1.00 32.12 O ATOM 2470 CB VAL A 534 11.464 7.161 -1.496 1.00 63.02 C ATOM 2471 CG1 VAL A 534 12.009 6.447 -2.764 1.00 43.52 C ATOM 2472 CG2 VAL A 534 9.976 7.532 -1.700 1.00 63.12 C ATOM 0 H VAL A 534 10.881 7.975 0.833 1.00 0.15 H new ATOM 0 HA VAL A 534 11.030 5.406 -0.278 1.00 73.34 H new ATOM 0 HB VAL A 534 12.045 8.072 -1.353 1.00 63.02 H new ATOM 0 HG11 VAL A 534 11.853 7.083 -3.635 1.00 43.52 H new ATOM 0 HG12 VAL A 534 13.075 6.252 -2.642 1.00 43.52 H new ATOM 0 HG13 VAL A 534 11.482 5.504 -2.905 1.00 43.52 H new ATOM 0 HG21 VAL A 534 9.871 8.129 -2.606 1.00 63.12 H new ATOM 0 HG22 VAL A 534 9.384 6.622 -1.794 1.00 63.12 H new ATOM 0 HG23 VAL A 534 9.624 8.107 -0.844 1.00 63.12 H new ATOM 2482 N ASN A 535 13.957 6.686 0.598 1.00 71.13 N ATOM 2483 CA ASN A 535 15.354 6.357 0.954 1.00 51.53 C ATOM 2484 C ASN A 535 15.436 5.048 1.798 1.00 43.45 C ATOM 2485 O ASN A 535 16.281 4.181 1.538 1.00 22.52 O ATOM 2486 CB ASN A 535 15.971 7.559 1.713 1.00 33.13 C ATOM 2487 CG ASN A 535 17.439 7.365 2.053 1.00 61.30 C ATOM 2488 OD1 ASN A 535 17.786 6.888 3.128 1.00 12.10 O ATOM 2489 ND2 ASN A 535 18.312 7.736 1.146 1.00 23.55 N ATOM 0 H ASN A 535 13.672 7.619 0.897 1.00 71.13 H new ATOM 0 HA ASN A 535 15.924 6.174 0.043 1.00 51.53 H new ATOM 0 HB2 ASN A 535 15.861 8.458 1.106 1.00 33.13 H new ATOM 0 HB3 ASN A 535 15.411 7.725 2.633 1.00 33.13 H new ATOM 0 HD21 ASN A 535 19.310 7.631 1.326 1.00 23.55 H new ATOM 0 HD22 ASN A 535 17.992 8.130 0.261 1.00 23.55 H new ATOM 2496 N GLY A 536 14.527 4.918 2.784 1.00 11.23 N ATOM 2497 CA GLY A 536 14.402 3.687 3.584 1.00 4.23 C ATOM 2498 C GLY A 536 13.778 2.514 2.803 1.00 13.14 C ATOM 2499 O GLY A 536 14.176 1.363 2.985 1.00 4.41 O ATOM 0 H GLY A 536 13.869 5.652 3.045 1.00 11.23 H new ATOM 0 HA2 GLY A 536 15.389 3.392 3.942 1.00 4.23 H new ATOM 0 HA3 GLY A 536 13.793 3.894 4.464 1.00 4.23 H new ATOM 2503 N ILE A 537 12.806 2.826 1.919 1.00 13.52 N ATOM 2504 CA ILE A 537 12.101 1.821 1.082 1.00 24.33 C ATOM 2505 C ILE A 537 13.066 1.138 0.087 1.00 50.53 C ATOM 2506 O ILE A 537 12.968 -0.059 -0.123 1.00 4.22 O ATOM 2507 CB ILE A 537 10.869 2.469 0.329 1.00 63.33 C ATOM 2508 CG1 ILE A 537 9.760 2.876 1.341 1.00 13.02 C ATOM 2509 CG2 ILE A 537 10.264 1.555 -0.769 1.00 13.20 C ATOM 2510 CD1 ILE A 537 9.114 1.710 2.080 1.00 64.25 C ATOM 0 H ILE A 537 12.485 3.781 1.763 1.00 13.52 H new ATOM 0 HA ILE A 537 11.717 1.049 1.749 1.00 24.33 H new ATOM 0 HB ILE A 537 11.259 3.354 -0.174 1.00 63.33 H new ATOM 0 HG12 ILE A 537 10.189 3.560 2.073 1.00 13.02 H new ATOM 0 HG13 ILE A 537 8.984 3.425 0.808 1.00 13.02 H new ATOM 0 HG21 ILE A 537 9.424 2.063 -1.243 1.00 13.20 H new ATOM 0 HG22 ILE A 537 11.024 1.334 -1.518 1.00 13.20 H new ATOM 0 HG23 ILE A 537 9.918 0.625 -0.318 1.00 13.20 H new ATOM 0 HD11 ILE A 537 8.354 2.089 2.763 1.00 64.25 H new ATOM 0 HD12 ILE A 537 8.651 1.035 1.360 1.00 64.25 H new ATOM 0 HD13 ILE A 537 9.874 1.172 2.646 1.00 64.25 H new ATOM 2522 N ARG A 538 14.010 1.911 -0.486 1.00 23.00 N ATOM 2523 CA ARG A 538 15.099 1.388 -1.358 1.00 50.32 C ATOM 2524 C ARG A 538 15.853 0.210 -0.685 1.00 13.24 C ATOM 2525 O ARG A 538 16.090 -0.833 -1.305 1.00 55.11 O ATOM 2526 CB ARG A 538 16.078 2.549 -1.689 1.00 23.34 C ATOM 2527 CG ARG A 538 15.519 3.593 -2.685 1.00 54.10 C ATOM 2528 CD ARG A 538 16.259 4.949 -2.629 1.00 40.54 C ATOM 2529 NE ARG A 538 17.726 4.828 -2.767 1.00 44.20 N ATOM 2530 CZ ARG A 538 18.566 5.835 -2.912 1.00 43.24 C ATOM 2531 NH1 ARG A 538 18.142 7.055 -3.058 1.00 60.14 N ATOM 2532 NH2 ARG A 538 19.836 5.601 -2.950 1.00 20.22 N ATOM 0 H ARG A 538 14.045 2.923 -0.361 1.00 23.00 H new ATOM 0 HA ARG A 538 14.660 1.001 -2.278 1.00 50.32 H new ATOM 0 HB2 ARG A 538 16.347 3.056 -0.763 1.00 23.34 H new ATOM 0 HB3 ARG A 538 16.996 2.128 -2.100 1.00 23.34 H new ATOM 0 HG2 ARG A 538 15.586 3.192 -3.696 1.00 54.10 H new ATOM 0 HG3 ARG A 538 14.462 3.755 -2.475 1.00 54.10 H new ATOM 0 HD2 ARG A 538 15.880 5.594 -3.422 1.00 40.54 H new ATOM 0 HD3 ARG A 538 16.031 5.439 -1.683 1.00 40.54 H new ATOM 0 HE ARG A 538 18.122 3.888 -2.749 1.00 44.20 H new ATOM 0 HH11 ARG A 538 17.141 7.250 -3.062 1.00 60.14 H new ATOM 0 HH12 ARG A 538 18.810 7.817 -3.168 1.00 60.14 H new ATOM 0 HH21 ARG A 538 20.181 4.645 -2.868 1.00 20.22 H new ATOM 0 HH22 ARG A 538 20.494 6.373 -3.062 1.00 20.22 H new ATOM 2546 N GLN A 539 16.155 0.393 0.611 1.00 52.23 N ATOM 2547 CA GLN A 539 16.829 -0.623 1.459 1.00 32.34 C ATOM 2548 C GLN A 539 15.922 -1.863 1.733 1.00 71.33 C ATOM 2549 O GLN A 539 16.416 -2.942 2.059 1.00 41.30 O ATOM 2550 CB GLN A 539 17.266 0.054 2.788 1.00 3.50 C ATOM 2551 CG GLN A 539 18.212 1.262 2.592 1.00 54.12 C ATOM 2552 CD GLN A 539 18.519 2.039 3.879 1.00 14.41 C ATOM 2553 OE1 GLN A 539 18.508 1.495 4.980 1.00 34.13 O ATOM 2554 NE2 GLN A 539 18.825 3.319 3.744 1.00 30.22 N ATOM 0 H GLN A 539 15.939 1.256 1.111 1.00 52.23 H new ATOM 0 HA GLN A 539 17.702 -1.000 0.926 1.00 32.34 H new ATOM 0 HB2 GLN A 539 16.377 0.384 3.326 1.00 3.50 H new ATOM 0 HB3 GLN A 539 17.762 -0.686 3.416 1.00 3.50 H new ATOM 0 HG2 GLN A 539 19.149 0.909 2.163 1.00 54.12 H new ATOM 0 HG3 GLN A 539 17.766 1.944 1.867 1.00 54.12 H new ATOM 0 HE21 GLN A 539 18.827 3.748 2.819 1.00 30.22 H new ATOM 0 HE22 GLN A 539 19.059 3.877 4.565 1.00 30.22 H new ATOM 2563 N VAL A 540 14.591 -1.676 1.600 1.00 70.21 N ATOM 2564 CA VAL A 540 13.571 -2.745 1.766 1.00 0.40 C ATOM 2565 C VAL A 540 13.290 -3.492 0.420 1.00 73.31 C ATOM 2566 O VAL A 540 12.919 -4.674 0.424 1.00 71.34 O ATOM 2567 CB VAL A 540 12.228 -2.136 2.341 1.00 72.10 C ATOM 2568 CG1 VAL A 540 11.125 -3.210 2.535 1.00 43.12 C ATOM 2569 CG2 VAL A 540 12.489 -1.368 3.663 1.00 55.42 C ATOM 0 H VAL A 540 14.185 -0.768 1.371 1.00 70.21 H new ATOM 0 HA VAL A 540 13.969 -3.473 2.473 1.00 0.40 H new ATOM 0 HB VAL A 540 11.857 -1.431 1.597 1.00 72.10 H new ATOM 0 HG11 VAL A 540 10.225 -2.740 2.931 1.00 43.12 H new ATOM 0 HG12 VAL A 540 10.899 -3.676 1.576 1.00 43.12 H new ATOM 0 HG13 VAL A 540 11.475 -3.969 3.234 1.00 43.12 H new ATOM 0 HG21 VAL A 540 11.551 -0.959 4.038 1.00 55.42 H new ATOM 0 HG22 VAL A 540 12.909 -2.049 4.403 1.00 55.42 H new ATOM 0 HG23 VAL A 540 13.191 -0.555 3.479 1.00 55.42 H new