USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 555 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 39 GLN : amide:sc= 0 X(o=-0.92,f=-0.71) USER MOD Set 1.2: A 82 GLN : amide:sc= -0.916 X(o=-0.92,f=-0.53) USER MOD Single : A 19 SER OG : rot 180:sc= -0.17 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -145:sc= 0.866 (180deg=0.0928) USER MOD Single : A 30 ASN : amide:sc= 0.238 K(o=0.24,f=-1.3!) USER MOD Single : A 31 LYS NZ :NH3+ -156:sc= 1.25 (180deg=1.11) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -37:sc= 0.99 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.699 K(o=-0.7,f=-4.9!) USER MOD Single : A 47 ASN : amide:sc= -0.632 K(o=-0.63,f=0) USER MOD Single : A 48 GLN : amide:sc= 0.418 K(o=0.42,f=-6!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.022 X(o=-0.022,f=-0.022) USER MOD Single : A 56 THR OG1 : rot -76:sc= 2.24 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot -175:sc= 0.993 USER MOD Single : A 85 ASN : amide:sc= -0.597 K(o=-0.6,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 289 N LEU A 18 -8.237 -11.192 0.943 1.00 71.41 N ATOM 290 CA LEU A 18 -6.972 -10.465 1.104 1.00 51.13 C ATOM 291 C LEU A 18 -6.016 -11.184 2.068 1.00 13.20 C ATOM 292 O LEU A 18 -6.449 -11.870 2.997 1.00 20.10 O ATOM 293 CB LEU A 18 -7.246 -9.043 1.611 1.00 71.32 C ATOM 294 CG LEU A 18 -8.092 -8.167 0.675 1.00 30.12 C ATOM 295 CD1 LEU A 18 -8.355 -6.802 1.304 1.00 50.32 C ATOM 296 CD2 LEU A 18 -7.407 -8.008 -0.680 1.00 75.24 C ATOM 0 HA LEU A 18 -6.490 -10.423 0.127 1.00 51.13 H new ATOM 0 HB2 LEU A 18 -7.750 -9.109 2.575 1.00 71.32 H new ATOM 0 HB3 LEU A 18 -6.292 -8.546 1.784 1.00 71.32 H new ATOM 0 HG LEU A 18 -9.050 -8.663 0.520 1.00 30.12 H new ATOM 0 HD11 LEU A 18 -8.956 -6.198 0.624 1.00 50.32 H new ATOM 0 HD12 LEU A 18 -8.891 -6.932 2.244 1.00 50.32 H new ATOM 0 HD13 LEU A 18 -7.406 -6.300 1.494 1.00 50.32 H new ATOM 0 HD21 LEU A 18 -8.023 -7.384 -1.328 1.00 75.24 H new ATOM 0 HD22 LEU A 18 -6.433 -7.538 -0.542 1.00 75.24 H new ATOM 0 HD23 LEU A 18 -7.275 -8.988 -1.138 1.00 75.24 H new ATOM 308 N SER A 19 -4.715 -11.009 1.849 1.00 52.20 N ATOM 309 CA SER A 19 -3.691 -11.657 2.685 1.00 2.50 C ATOM 310 C SER A 19 -2.800 -10.629 3.398 1.00 11.45 C ATOM 311 O SER A 19 -2.774 -9.453 3.033 1.00 3.33 O ATOM 312 CB SER A 19 -2.818 -12.584 1.833 1.00 4.53 C ATOM 313 OG SER A 19 -1.804 -13.200 2.614 1.00 11.34 O ATOM 0 H SER A 19 -4.339 -10.425 1.102 1.00 52.20 H new ATOM 0 HA SER A 19 -4.214 -12.238 3.445 1.00 2.50 H new ATOM 0 HB2 SER A 19 -3.440 -13.351 1.371 1.00 4.53 H new ATOM 0 HB3 SER A 19 -2.361 -12.014 1.024 1.00 4.53 H new ATOM 0 HG SER A 19 -1.264 -13.787 2.045 1.00 11.34 H new ATOM 319 N LEU A 20 -2.061 -11.083 4.410 1.00 4.14 N ATOM 320 CA LEU A 20 -1.176 -10.201 5.183 1.00 15.43 C ATOM 321 C LEU A 20 0.069 -9.825 4.359 1.00 31.11 C ATOM 322 O LEU A 20 0.800 -10.702 3.881 1.00 51.11 O ATOM 323 CB LEU A 20 -0.779 -10.898 6.503 1.00 43.02 C ATOM 324 CG LEU A 20 -0.142 -10.014 7.603 1.00 42.44 C ATOM 325 CD1 LEU A 20 1.297 -9.627 7.262 1.00 22.35 C ATOM 326 CD2 LEU A 20 -0.989 -8.767 7.861 1.00 60.03 C ATOM 0 H LEU A 20 -2.055 -12.056 4.716 1.00 4.14 H new ATOM 0 HA LEU A 20 -1.706 -9.278 5.419 1.00 15.43 H new ATOM 0 HB2 LEU A 20 -1.671 -11.367 6.920 1.00 43.02 H new ATOM 0 HB3 LEU A 20 -0.079 -11.699 6.265 1.00 43.02 H new ATOM 0 HG LEU A 20 -0.113 -10.608 8.516 1.00 42.44 H new ATOM 0 HD11 LEU A 20 1.706 -9.007 8.060 1.00 22.35 H new ATOM 0 HD12 LEU A 20 1.901 -10.528 7.157 1.00 22.35 H new ATOM 0 HD13 LEU A 20 1.312 -9.069 6.326 1.00 22.35 H new ATOM 0 HD21 LEU A 20 -0.520 -8.163 8.638 1.00 60.03 H new ATOM 0 HD22 LEU A 20 -1.066 -8.183 6.944 1.00 60.03 H new ATOM 0 HD23 LEU A 20 -1.986 -9.065 8.186 1.00 60.03 H new ATOM 338 N LEU A 21 0.309 -8.524 4.196 1.00 54.24 N ATOM 339 CA LEU A 21 1.464 -8.043 3.433 1.00 41.44 C ATOM 340 C LEU A 21 2.762 -8.168 4.245 1.00 13.54 C ATOM 341 O LEU A 21 2.980 -7.434 5.212 1.00 42.13 O ATOM 342 CB LEU A 21 1.250 -6.587 2.983 1.00 33.54 C ATOM 343 CG LEU A 21 2.420 -5.947 2.208 1.00 44.23 C ATOM 344 CD1 LEU A 21 2.798 -6.786 0.986 1.00 34.52 C ATOM 345 CD2 LEU A 21 2.061 -4.522 1.788 1.00 51.31 C ATOM 0 H LEU A 21 -0.279 -7.784 4.581 1.00 54.24 H new ATOM 0 HA LEU A 21 1.560 -8.671 2.547 1.00 41.44 H new ATOM 0 HB2 LEU A 21 0.359 -6.547 2.357 1.00 33.54 H new ATOM 0 HB3 LEU A 21 1.047 -5.980 3.865 1.00 33.54 H new ATOM 0 HG LEU A 21 3.285 -5.911 2.870 1.00 44.23 H new ATOM 0 HD11 LEU A 21 3.625 -6.310 0.460 1.00 34.52 H new ATOM 0 HD12 LEU A 21 3.098 -7.783 1.308 1.00 34.52 H new ATOM 0 HD13 LEU A 21 1.940 -6.864 0.318 1.00 34.52 H new ATOM 0 HD21 LEU A 21 2.896 -4.082 1.242 1.00 51.31 H new ATOM 0 HD22 LEU A 21 1.179 -4.543 1.148 1.00 51.31 H new ATOM 0 HD23 LEU A 21 1.852 -3.923 2.674 1.00 51.31 H new ATOM 357 N GLU A 22 3.601 -9.128 3.854 1.00 42.01 N ATOM 358 CA GLU A 22 4.904 -9.351 4.492 1.00 25.23 C ATOM 359 C GLU A 22 5.733 -8.057 4.566 1.00 72.12 C ATOM 360 O GLU A 22 5.811 -7.305 3.592 1.00 30.31 O ATOM 361 CB GLU A 22 5.669 -10.430 3.713 1.00 34.21 C ATOM 362 CG GLU A 22 7.094 -10.667 4.198 1.00 25.12 C ATOM 363 CD GLU A 22 7.769 -11.817 3.465 1.00 2.22 C ATOM 364 OE1 GLU A 22 8.254 -11.606 2.335 1.00 22.33 O ATOM 365 OE2 GLU A 22 7.793 -12.944 4.005 1.00 21.20 O ATOM 0 H GLU A 22 3.400 -9.772 3.089 1.00 42.01 H new ATOM 0 HA GLU A 22 4.733 -9.683 5.516 1.00 25.23 H new ATOM 0 HB2 GLU A 22 5.116 -11.367 3.777 1.00 34.21 H new ATOM 0 HB3 GLU A 22 5.699 -10.148 2.660 1.00 34.21 H new ATOM 0 HG2 GLU A 22 7.679 -9.758 4.059 1.00 25.12 H new ATOM 0 HG3 GLU A 22 7.081 -10.878 5.267 1.00 25.12 H new ATOM 372 N SER A 23 6.362 -7.818 5.721 1.00 23.41 N ATOM 373 CA SER A 23 7.131 -6.582 5.961 1.00 75.42 C ATOM 374 C SER A 23 8.197 -6.346 4.880 1.00 23.10 C ATOM 375 O SER A 23 8.520 -5.203 4.551 1.00 50.34 O ATOM 376 CB SER A 23 7.783 -6.611 7.351 1.00 52.30 C ATOM 377 OG SER A 23 6.806 -6.756 8.376 1.00 54.32 O ATOM 0 H SER A 23 6.356 -8.464 6.510 1.00 23.41 H new ATOM 0 HA SER A 23 6.426 -5.752 5.915 1.00 75.42 H new ATOM 0 HB2 SER A 23 8.495 -7.435 7.404 1.00 52.30 H new ATOM 0 HB3 SER A 23 8.347 -5.692 7.510 1.00 52.30 H new ATOM 0 HG SER A 23 7.249 -6.773 9.250 1.00 54.32 H new ATOM 383 N LYS A 24 8.739 -7.437 4.333 1.00 0.31 N ATOM 384 CA LYS A 24 9.677 -7.360 3.202 1.00 25.24 C ATOM 385 C LYS A 24 9.076 -6.560 2.033 1.00 51.54 C ATOM 386 O LYS A 24 9.709 -5.653 1.496 1.00 40.44 O ATOM 387 CB LYS A 24 10.054 -8.777 2.734 1.00 25.31 C ATOM 388 CG LYS A 24 10.988 -8.846 1.514 1.00 64.33 C ATOM 389 CD LYS A 24 12.418 -8.374 1.819 1.00 44.14 C ATOM 390 CE LYS A 24 12.570 -6.857 1.729 1.00 73.31 C ATOM 391 NZ LYS A 24 13.915 -6.404 2.160 1.00 64.33 N ATOM 0 H LYS A 24 8.546 -8.386 4.653 1.00 0.31 H new ATOM 0 HA LYS A 24 10.574 -6.841 3.540 1.00 25.24 H new ATOM 0 HB2 LYS A 24 10.530 -9.300 3.564 1.00 25.31 H new ATOM 0 HB3 LYS A 24 9.138 -9.319 2.499 1.00 25.31 H new ATOM 0 HG2 LYS A 24 11.021 -9.872 1.148 1.00 64.33 H new ATOM 0 HG3 LYS A 24 10.574 -8.235 0.712 1.00 64.33 H new ATOM 0 HD2 LYS A 24 12.700 -8.705 2.819 1.00 44.14 H new ATOM 0 HD3 LYS A 24 13.109 -8.846 1.121 1.00 44.14 H new ATOM 0 HE2 LYS A 24 12.391 -6.536 0.703 1.00 73.31 H new ATOM 0 HE3 LYS A 24 11.811 -6.380 2.349 1.00 73.31 H new ATOM 0 HZ1 LYS A 24 13.834 -5.487 2.643 1.00 64.33 H new ATOM 0 HZ2 LYS A 24 14.325 -7.104 2.811 1.00 64.33 H new ATOM 0 HZ3 LYS A 24 14.531 -6.304 1.328 1.00 64.33 H new ATOM 405 N GLY A 25 7.853 -6.912 1.633 1.00 24.41 N ATOM 406 CA GLY A 25 7.152 -6.154 0.599 1.00 71.22 C ATOM 407 C GLY A 25 6.610 -4.821 1.117 1.00 71.52 C ATOM 408 O GLY A 25 6.607 -3.815 0.409 1.00 73.45 O ATOM 0 H GLY A 25 7.334 -7.707 2.005 1.00 24.41 H new ATOM 0 HA2 GLY A 25 7.830 -5.968 -0.234 1.00 71.22 H new ATOM 0 HA3 GLY A 25 6.327 -6.752 0.211 1.00 71.22 H new ATOM 412 N LEU A 26 6.170 -4.825 2.372 1.00 31.33 N ATOM 413 CA LEU A 26 5.573 -3.645 3.013 1.00 24.00 C ATOM 414 C LEU A 26 6.509 -2.423 2.992 1.00 45.55 C ATOM 415 O LEU A 26 6.061 -1.286 2.798 1.00 1.23 O ATOM 416 CB LEU A 26 5.205 -3.991 4.461 1.00 24.11 C ATOM 417 CG LEU A 26 4.529 -2.873 5.268 1.00 65.44 C ATOM 418 CD1 LEU A 26 3.180 -2.505 4.660 1.00 34.32 C ATOM 419 CD2 LEU A 26 4.370 -3.290 6.729 1.00 12.54 C ATOM 0 H LEU A 26 6.215 -5.644 2.978 1.00 31.33 H new ATOM 0 HA LEU A 26 4.683 -3.375 2.445 1.00 24.00 H new ATOM 0 HB2 LEU A 26 4.542 -4.856 4.450 1.00 24.11 H new ATOM 0 HB3 LEU A 26 6.113 -4.292 4.984 1.00 24.11 H new ATOM 0 HG LEU A 26 5.167 -1.990 5.231 1.00 65.44 H new ATOM 0 HD11 LEU A 26 2.720 -1.711 5.249 1.00 34.32 H new ATOM 0 HD12 LEU A 26 3.324 -2.160 3.636 1.00 34.32 H new ATOM 0 HD13 LEU A 26 2.530 -3.380 4.660 1.00 34.32 H new ATOM 0 HD21 LEU A 26 3.889 -2.486 7.287 1.00 12.54 H new ATOM 0 HD22 LEU A 26 3.756 -4.189 6.786 1.00 12.54 H new ATOM 0 HD23 LEU A 26 5.351 -3.493 7.158 1.00 12.54 H new ATOM 431 N GLU A 27 7.805 -2.648 3.197 1.00 61.13 N ATOM 432 CA GLU A 27 8.774 -1.551 3.191 1.00 54.30 C ATOM 433 C GLU A 27 8.773 -0.813 1.843 1.00 32.44 C ATOM 434 O GLU A 27 9.021 0.386 1.791 1.00 54.05 O ATOM 435 CB GLU A 27 10.186 -2.054 3.505 1.00 24.32 C ATOM 436 CG GLU A 27 10.774 -2.972 2.442 1.00 21.30 C ATOM 437 CD GLU A 27 12.271 -3.165 2.609 1.00 5.15 C ATOM 438 OE1 GLU A 27 13.042 -2.345 2.072 1.00 13.11 O ATOM 439 OE2 GLU A 27 12.692 -4.127 3.281 1.00 62.43 O ATOM 0 H GLU A 27 8.207 -3.570 3.368 1.00 61.13 H new ATOM 0 HA GLU A 27 8.471 -0.853 3.971 1.00 54.30 H new ATOM 0 HB2 GLU A 27 10.845 -1.195 3.632 1.00 24.32 H new ATOM 0 HB3 GLU A 27 10.167 -2.585 4.457 1.00 24.32 H new ATOM 0 HG2 GLU A 27 10.278 -3.941 2.488 1.00 21.30 H new ATOM 0 HG3 GLU A 27 10.572 -2.557 1.455 1.00 21.30 H new ATOM 446 N ALA A 28 8.492 -1.536 0.754 1.00 43.21 N ATOM 447 CA ALA A 28 8.425 -0.921 -0.578 1.00 74.50 C ATOM 448 C ALA A 28 7.370 0.190 -0.615 1.00 14.04 C ATOM 449 O ALA A 28 7.583 1.249 -1.205 1.00 25.12 O ATOM 450 CB ALA A 28 8.126 -1.973 -1.643 1.00 72.30 C ATOM 0 H ALA A 28 8.309 -2.539 0.766 1.00 43.21 H new ATOM 0 HA ALA A 28 9.397 -0.477 -0.793 1.00 74.50 H new ATOM 0 HB1 ALA A 28 8.081 -1.497 -2.622 1.00 72.30 H new ATOM 0 HB2 ALA A 28 8.914 -2.726 -1.642 1.00 72.30 H new ATOM 0 HB3 ALA A 28 7.170 -2.449 -1.426 1.00 72.30 H new ATOM 456 N LEU A 29 6.237 -0.065 0.038 1.00 61.14 N ATOM 457 CA LEU A 29 5.164 0.925 0.149 1.00 5.12 C ATOM 458 C LEU A 29 5.612 2.121 1.005 1.00 22.21 C ATOM 459 O LEU A 29 5.516 3.269 0.577 1.00 74.01 O ATOM 460 CB LEU A 29 3.897 0.290 0.756 1.00 52.15 C ATOM 461 CG LEU A 29 3.149 -0.729 -0.134 1.00 21.11 C ATOM 462 CD1 LEU A 29 2.743 -0.101 -1.463 1.00 61.10 C ATOM 463 CD2 LEU A 29 3.985 -1.992 -0.358 1.00 25.33 C ATOM 0 H LEU A 29 6.037 -0.952 0.500 1.00 61.14 H new ATOM 0 HA LEU A 29 4.932 1.281 -0.855 1.00 5.12 H new ATOM 0 HB2 LEU A 29 4.175 -0.207 1.686 1.00 52.15 H new ATOM 0 HB3 LEU A 29 3.204 1.090 1.017 1.00 52.15 H new ATOM 0 HG LEU A 29 2.240 -1.022 0.392 1.00 21.11 H new ATOM 0 HD11 LEU A 29 2.219 -0.840 -2.069 1.00 61.10 H new ATOM 0 HD12 LEU A 29 2.086 0.749 -1.278 1.00 61.10 H new ATOM 0 HD13 LEU A 29 3.634 0.237 -1.993 1.00 61.10 H new ATOM 0 HD21 LEU A 29 3.431 -2.688 -0.988 1.00 25.33 H new ATOM 0 HD22 LEU A 29 4.922 -1.726 -0.848 1.00 25.33 H new ATOM 0 HD23 LEU A 29 4.199 -2.462 0.602 1.00 25.33 H new ATOM 475 N ASN A 30 6.121 1.833 2.205 1.00 12.10 N ATOM 476 CA ASN A 30 6.569 2.888 3.134 1.00 22.31 C ATOM 477 C ASN A 30 7.669 3.773 2.520 1.00 44.24 C ATOM 478 O ASN A 30 7.607 5.001 2.604 1.00 71.40 O ATOM 479 CB ASN A 30 7.057 2.271 4.450 1.00 11.42 C ATOM 480 CG ASN A 30 5.914 1.726 5.285 1.00 14.32 C ATOM 481 OD1 ASN A 30 5.324 2.443 6.085 1.00 23.33 O ATOM 482 ND2 ASN A 30 5.584 0.461 5.112 1.00 74.23 N ATOM 0 H ASN A 30 6.235 0.884 2.561 1.00 12.10 H new ATOM 0 HA ASN A 30 5.710 3.528 3.335 1.00 22.31 H new ATOM 0 HB2 ASN A 30 7.762 1.468 4.234 1.00 11.42 H new ATOM 0 HB3 ASN A 30 7.597 3.024 5.024 1.00 11.42 H new ATOM 0 HD21 ASN A 30 4.819 0.055 5.651 1.00 74.23 H new ATOM 0 HD22 ASN A 30 6.093 -0.111 4.439 1.00 74.23 H new ATOM 489 N LYS A 31 8.673 3.151 1.906 1.00 63.03 N ATOM 490 CA LYS A 31 9.745 3.898 1.231 1.00 50.23 C ATOM 491 C LYS A 31 9.172 4.787 0.117 1.00 11.03 C ATOM 492 O LYS A 31 9.571 5.943 -0.041 1.00 64.43 O ATOM 493 CB LYS A 31 10.796 2.935 0.658 1.00 34.31 C ATOM 494 CG LYS A 31 11.545 2.142 1.726 1.00 13.41 C ATOM 495 CD LYS A 31 12.567 1.172 1.125 1.00 71.25 C ATOM 496 CE LYS A 31 11.912 0.150 0.205 1.00 54.43 C ATOM 497 NZ LYS A 31 12.880 -0.875 -0.265 1.00 4.25 N ATOM 0 H LYS A 31 8.771 2.137 1.859 1.00 63.03 H new ATOM 0 HA LYS A 31 10.227 4.540 1.969 1.00 50.23 H new ATOM 0 HB2 LYS A 31 10.306 2.239 -0.023 1.00 34.31 H new ATOM 0 HB3 LYS A 31 11.515 3.504 0.069 1.00 34.31 H new ATOM 0 HG2 LYS A 31 12.055 2.833 2.397 1.00 13.41 H new ATOM 0 HG3 LYS A 31 10.829 1.583 2.329 1.00 13.41 H new ATOM 0 HD2 LYS A 31 13.316 1.734 0.567 1.00 71.25 H new ATOM 0 HD3 LYS A 31 13.091 0.654 1.928 1.00 71.25 H new ATOM 0 HE2 LYS A 31 11.092 -0.339 0.731 1.00 54.43 H new ATOM 0 HE3 LYS A 31 11.479 0.661 -0.655 1.00 54.43 H new ATOM 0 HZ1 LYS A 31 12.544 -1.286 -1.159 1.00 4.25 H new ATOM 0 HZ2 LYS A 31 13.809 -0.432 -0.415 1.00 4.25 H new ATOM 0 HZ3 LYS A 31 12.966 -1.625 0.450 1.00 4.25 H new ATOM 511 N ALA A 32 8.220 4.243 -0.641 1.00 43.23 N ATOM 512 CA ALA A 32 7.538 5.002 -1.689 1.00 35.21 C ATOM 513 C ALA A 32 6.711 6.158 -1.097 1.00 64.34 C ATOM 514 O ALA A 32 6.582 7.222 -1.712 1.00 25.33 O ATOM 515 CB ALA A 32 6.660 4.069 -2.516 1.00 53.11 C ATOM 0 H ALA A 32 7.903 3.278 -0.548 1.00 43.23 H new ATOM 0 HA ALA A 32 8.292 5.445 -2.340 1.00 35.21 H new ATOM 0 HB1 ALA A 32 6.155 4.640 -3.295 1.00 53.11 H new ATOM 0 HB2 ALA A 32 7.279 3.298 -2.975 1.00 53.11 H new ATOM 0 HB3 ALA A 32 5.917 3.601 -1.870 1.00 53.11 H new ATOM 521 N ILE A 33 6.152 5.943 0.097 1.00 2.13 N ATOM 522 CA ILE A 33 5.429 6.994 0.825 1.00 71.45 C ATOM 523 C ILE A 33 6.370 8.157 1.179 1.00 73.43 C ATOM 524 O ILE A 33 6.073 9.318 0.893 1.00 21.41 O ATOM 525 CB ILE A 33 4.774 6.434 2.121 1.00 72.20 C ATOM 526 CG1 ILE A 33 3.663 5.430 1.766 1.00 23.21 C ATOM 527 CG2 ILE A 33 4.229 7.563 2.996 1.00 35.42 C ATOM 528 CD1 ILE A 33 3.057 4.728 2.964 1.00 4.40 C ATOM 0 H ILE A 33 6.186 5.047 0.583 1.00 2.13 H new ATOM 0 HA ILE A 33 4.640 7.362 0.170 1.00 71.45 H new ATOM 0 HB ILE A 33 5.541 5.914 2.694 1.00 72.20 H new ATOM 0 HG12 ILE A 33 2.873 5.954 1.228 1.00 23.21 H new ATOM 0 HG13 ILE A 33 4.069 4.681 1.086 1.00 23.21 H new ATOM 0 HG21 ILE A 33 3.777 7.142 3.894 1.00 35.42 H new ATOM 0 HG22 ILE A 33 5.043 8.230 3.278 1.00 35.42 H new ATOM 0 HG23 ILE A 33 3.477 8.123 2.440 1.00 35.42 H new ATOM 0 HD11 ILE A 33 2.283 4.038 2.628 1.00 4.40 H new ATOM 0 HD12 ILE A 33 3.833 4.174 3.492 1.00 4.40 H new ATOM 0 HD13 ILE A 33 2.619 5.467 3.635 1.00 4.40 H new ATOM 540 N VAL A 34 7.514 7.830 1.781 1.00 0.31 N ATOM 541 CA VAL A 34 8.531 8.833 2.117 1.00 41.35 C ATOM 542 C VAL A 34 9.039 9.543 0.851 1.00 35.41 C ATOM 543 O VAL A 34 9.363 10.732 0.871 1.00 22.04 O ATOM 544 CB VAL A 34 9.729 8.187 2.863 1.00 34.24 C ATOM 545 CG1 VAL A 34 10.766 9.239 3.257 1.00 54.33 C ATOM 546 CG2 VAL A 34 9.249 7.415 4.093 1.00 51.11 C ATOM 0 H VAL A 34 7.762 6.877 2.047 1.00 0.31 H new ATOM 0 HA VAL A 34 8.061 9.566 2.773 1.00 41.35 H new ATOM 0 HB VAL A 34 10.207 7.484 2.181 1.00 34.24 H new ATOM 0 HG11 VAL A 34 11.593 8.757 3.778 1.00 54.33 H new ATOM 0 HG12 VAL A 34 11.140 9.734 2.361 1.00 54.33 H new ATOM 0 HG13 VAL A 34 10.305 9.977 3.913 1.00 54.33 H new ATOM 0 HG21 VAL A 34 10.105 6.971 4.601 1.00 51.11 H new ATOM 0 HG22 VAL A 34 8.737 8.096 4.773 1.00 51.11 H new ATOM 0 HG23 VAL A 34 8.562 6.628 3.783 1.00 51.11 H new ATOM 556 N SER A 35 9.107 8.795 -0.250 1.00 34.22 N ATOM 557 CA SER A 35 9.471 9.362 -1.556 1.00 41.33 C ATOM 558 C SER A 35 8.322 10.211 -2.137 1.00 35.34 C ATOM 559 O SER A 35 8.551 11.136 -2.921 1.00 70.13 O ATOM 560 CB SER A 35 9.838 8.242 -2.539 1.00 61.01 C ATOM 561 OG SER A 35 10.295 8.764 -3.782 1.00 72.41 O ATOM 0 H SER A 35 8.915 7.793 -0.267 1.00 34.22 H new ATOM 0 HA SER A 35 10.335 10.010 -1.409 1.00 41.33 H new ATOM 0 HB2 SER A 35 10.613 7.613 -2.101 1.00 61.01 H new ATOM 0 HB3 SER A 35 8.969 7.606 -2.708 1.00 61.01 H new ATOM 0 HG SER A 35 10.522 8.025 -4.384 1.00 72.41 H new ATOM 567 N GLY A 36 7.086 9.892 -1.744 1.00 72.32 N ATOM 568 CA GLY A 36 5.916 10.651 -2.198 1.00 52.55 C ATOM 569 C GLY A 36 5.367 10.195 -3.551 1.00 53.51 C ATOM 570 O GLY A 36 4.718 10.966 -4.254 1.00 31.34 O ATOM 0 H GLY A 36 6.869 9.118 -1.116 1.00 72.32 H new ATOM 0 HA2 GLY A 36 5.128 10.566 -1.450 1.00 52.55 H new ATOM 0 HA3 GLY A 36 6.182 11.706 -2.262 1.00 52.55 H new ATOM 574 N THR A 37 5.608 8.935 -3.909 1.00 5.33 N ATOM 575 CA THR A 37 5.147 8.393 -5.203 1.00 21.13 C ATOM 576 C THR A 37 3.982 7.400 -5.027 1.00 65.30 C ATOM 577 O THR A 37 3.661 6.630 -5.933 1.00 72.34 O ATOM 578 CB THR A 37 6.310 7.702 -5.968 1.00 1.23 C ATOM 579 OG1 THR A 37 5.875 7.249 -7.264 1.00 11.31 O ATOM 580 CG2 THR A 37 6.877 6.524 -5.177 1.00 32.53 C ATOM 0 H THR A 37 6.117 8.267 -3.330 1.00 5.33 H new ATOM 0 HA THR A 37 4.790 9.241 -5.788 1.00 21.13 H new ATOM 0 HB THR A 37 7.097 8.445 -6.096 1.00 1.23 H new ATOM 0 HG1 THR A 37 4.954 6.921 -7.203 1.00 11.31 H new ATOM 0 HG21 THR A 37 7.688 6.064 -5.741 1.00 32.53 H new ATOM 0 HG22 THR A 37 7.257 6.878 -4.219 1.00 32.53 H new ATOM 0 HG23 THR A 37 6.091 5.788 -5.006 1.00 32.53 H new ATOM 588 N VAL A 38 3.337 7.433 -3.863 1.00 22.23 N ATOM 589 CA VAL A 38 2.211 6.534 -3.571 1.00 63.03 C ATOM 590 C VAL A 38 0.856 7.212 -3.818 1.00 1.51 C ATOM 591 O VAL A 38 0.505 8.189 -3.153 1.00 4.51 O ATOM 592 CB VAL A 38 2.258 6.024 -2.110 1.00 33.32 C ATOM 593 CG1 VAL A 38 1.041 5.159 -1.794 1.00 51.10 C ATOM 594 CG2 VAL A 38 3.544 5.250 -1.859 1.00 15.34 C ATOM 0 H VAL A 38 3.571 8.071 -3.103 1.00 22.23 H new ATOM 0 HA VAL A 38 2.312 5.689 -4.253 1.00 63.03 H new ATOM 0 HB VAL A 38 2.238 6.889 -1.447 1.00 33.32 H new ATOM 0 HG11 VAL A 38 1.098 4.813 -0.762 1.00 51.10 H new ATOM 0 HG12 VAL A 38 0.132 5.746 -1.930 1.00 51.10 H new ATOM 0 HG13 VAL A 38 1.022 4.299 -2.464 1.00 51.10 H new ATOM 0 HG21 VAL A 38 3.562 4.898 -0.827 1.00 15.34 H new ATOM 0 HG22 VAL A 38 3.592 4.396 -2.534 1.00 15.34 H new ATOM 0 HG23 VAL A 38 4.401 5.901 -2.035 1.00 15.34 H new ATOM 604 N GLN A 39 0.099 6.687 -4.781 1.00 41.52 N ATOM 605 CA GLN A 39 -1.249 7.188 -5.069 1.00 31.42 C ATOM 606 C GLN A 39 -2.328 6.247 -4.507 1.00 1.32 C ATOM 607 O GLN A 39 -2.351 5.054 -4.807 1.00 54.01 O ATOM 608 CB GLN A 39 -1.447 7.370 -6.580 1.00 54.52 C ATOM 609 CG GLN A 39 -0.532 8.426 -7.194 1.00 14.43 C ATOM 610 CD GLN A 39 -0.807 8.661 -8.670 1.00 54.25 C ATOM 611 OE1 GLN A 39 -1.925 8.502 -9.140 1.00 21.12 O ATOM 612 NE2 GLN A 39 0.211 9.038 -9.416 1.00 61.13 N ATOM 0 H GLN A 39 0.395 5.914 -5.377 1.00 41.52 H new ATOM 0 HA GLN A 39 -1.352 8.156 -4.579 1.00 31.42 H new ATOM 0 HB2 GLN A 39 -1.273 6.416 -7.078 1.00 54.52 H new ATOM 0 HB3 GLN A 39 -2.484 7.645 -6.771 1.00 54.52 H new ATOM 0 HG2 GLN A 39 -0.654 9.364 -6.653 1.00 14.43 H new ATOM 0 HG3 GLN A 39 0.506 8.118 -7.068 1.00 14.43 H new ATOM 0 HE21 GLN A 39 1.132 9.163 -8.996 1.00 61.13 H new ATOM 0 HE22 GLN A 39 0.078 9.205 -10.413 1.00 61.13 H new ATOM 621 N ARG A 40 -3.208 6.805 -3.682 1.00 62.52 N ATOM 622 CA ARG A 40 -4.332 6.070 -3.092 1.00 31.33 C ATOM 623 C ARG A 40 -5.396 5.764 -4.169 1.00 22.55 C ATOM 624 O ARG A 40 -5.325 6.294 -5.281 1.00 50.55 O ATOM 625 CB ARG A 40 -4.928 6.926 -1.961 1.00 5.10 C ATOM 626 CG ARG A 40 -5.799 6.180 -0.949 1.00 71.55 C ATOM 627 CD ARG A 40 -6.424 7.155 0.051 1.00 33.42 C ATOM 628 NE ARG A 40 -7.029 6.488 1.202 1.00 20.44 N ATOM 629 CZ ARG A 40 -8.100 6.919 1.815 1.00 64.42 C ATOM 630 NH1 ARG A 40 -8.759 7.936 1.363 1.00 71.33 N ATOM 631 NH2 ARG A 40 -8.521 6.326 2.879 1.00 60.44 N ATOM 0 H ARG A 40 -3.165 7.784 -3.400 1.00 62.52 H new ATOM 0 HA ARG A 40 -3.988 5.118 -2.688 1.00 31.33 H new ATOM 0 HB2 ARG A 40 -4.109 7.405 -1.424 1.00 5.10 H new ATOM 0 HB3 ARG A 40 -5.524 7.721 -2.409 1.00 5.10 H new ATOM 0 HG2 ARG A 40 -6.585 5.634 -1.471 1.00 71.55 H new ATOM 0 HG3 ARG A 40 -5.197 5.443 -0.418 1.00 71.55 H new ATOM 0 HD2 ARG A 40 -5.658 7.847 0.401 1.00 33.42 H new ATOM 0 HD3 ARG A 40 -7.183 7.750 -0.457 1.00 33.42 H new ATOM 0 HE ARG A 40 -6.589 5.635 1.548 1.00 20.44 H new ATOM 0 HH11 ARG A 40 -8.445 8.413 0.518 1.00 71.33 H new ATOM 0 HH12 ARG A 40 -9.593 8.261 1.852 1.00 71.33 H new ATOM 0 HH21 ARG A 40 -8.018 5.518 3.245 1.00 60.44 H new ATOM 0 HH22 ARG A 40 -9.357 6.665 3.355 1.00 60.44 H new ATOM 645 N ALA A 41 -6.383 4.926 -3.837 1.00 64.02 N ATOM 646 CA ALA A 41 -7.429 4.521 -4.797 1.00 23.33 C ATOM 647 C ALA A 41 -8.091 5.719 -5.508 1.00 4.33 C ATOM 648 O ALA A 41 -8.469 5.628 -6.678 1.00 1.42 O ATOM 649 CB ALA A 41 -8.490 3.683 -4.088 1.00 3.21 C ATOM 0 H ALA A 41 -6.484 4.511 -2.911 1.00 64.02 H new ATOM 0 HA ALA A 41 -6.938 3.928 -5.569 1.00 23.33 H new ATOM 0 HB1 ALA A 41 -9.258 3.388 -4.803 1.00 3.21 H new ATOM 0 HB2 ALA A 41 -8.027 2.792 -3.665 1.00 3.21 H new ATOM 0 HB3 ALA A 41 -8.944 4.270 -3.289 1.00 3.21 H new ATOM 655 N ASP A 42 -8.224 6.835 -4.796 1.00 31.12 N ATOM 656 CA ASP A 42 -8.853 8.045 -5.346 1.00 14.41 C ATOM 657 C ASP A 42 -7.848 8.898 -6.143 1.00 4.33 C ATOM 658 O ASP A 42 -8.232 9.687 -7.011 1.00 25.51 O ATOM 659 CB ASP A 42 -9.453 8.874 -4.205 1.00 35.42 C ATOM 660 CG ASP A 42 -8.393 9.412 -3.255 1.00 22.05 C ATOM 661 OD1 ASP A 42 -7.441 8.673 -2.932 1.00 60.44 O ATOM 662 OD2 ASP A 42 -8.501 10.583 -2.836 1.00 63.25 O ATOM 0 H ASP A 42 -7.905 6.932 -3.832 1.00 31.12 H new ATOM 0 HA ASP A 42 -9.640 7.734 -6.033 1.00 14.41 H new ATOM 0 HB2 ASP A 42 -10.017 9.707 -4.624 1.00 35.42 H new ATOM 0 HB3 ASP A 42 -10.159 8.260 -3.646 1.00 35.42 H new ATOM 667 N GLY A 43 -6.562 8.731 -5.839 1.00 64.11 N ATOM 668 CA GLY A 43 -5.516 9.522 -6.485 1.00 23.43 C ATOM 669 C GLY A 43 -4.738 10.402 -5.508 1.00 21.44 C ATOM 670 O GLY A 43 -3.808 11.112 -5.903 1.00 55.01 O ATOM 0 H GLY A 43 -6.220 8.058 -5.153 1.00 64.11 H new ATOM 0 HA2 GLY A 43 -4.822 8.851 -6.991 1.00 23.43 H new ATOM 0 HA3 GLY A 43 -5.967 10.152 -7.252 1.00 23.43 H new ATOM 674 N SER A 44 -5.114 10.359 -4.229 1.00 33.30 N ATOM 675 CA SER A 44 -4.440 11.154 -3.185 1.00 70.22 C ATOM 676 C SER A 44 -3.039 10.613 -2.864 1.00 1.15 C ATOM 677 O SER A 44 -2.847 9.404 -2.734 1.00 22.00 O ATOM 678 CB SER A 44 -5.273 11.173 -1.897 1.00 65.02 C ATOM 679 OG SER A 44 -4.576 11.819 -0.841 1.00 4.24 O ATOM 0 H SER A 44 -5.882 9.783 -3.884 1.00 33.30 H new ATOM 0 HA SER A 44 -4.339 12.166 -3.578 1.00 70.22 H new ATOM 0 HB2 SER A 44 -6.217 11.686 -2.080 1.00 65.02 H new ATOM 0 HB3 SER A 44 -5.516 10.152 -1.604 1.00 65.02 H new ATOM 0 HG SER A 44 -5.131 11.818 -0.034 1.00 4.24 H new ATOM 685 N ILE A 45 -2.064 11.511 -2.731 1.00 61.24 N ATOM 686 CA ILE A 45 -0.705 11.119 -2.344 1.00 21.24 C ATOM 687 C ILE A 45 -0.655 10.706 -0.864 1.00 1.33 C ATOM 688 O ILE A 45 -0.820 11.540 0.031 1.00 72.15 O ATOM 689 CB ILE A 45 0.314 12.262 -2.598 1.00 20.20 C ATOM 690 CG1 ILE A 45 0.320 12.655 -4.087 1.00 3.23 C ATOM 691 CG2 ILE A 45 1.718 11.851 -2.142 1.00 54.02 C ATOM 692 CD1 ILE A 45 0.722 11.530 -5.020 1.00 22.15 C ATOM 0 H ILE A 45 -2.187 12.512 -2.884 1.00 61.24 H new ATOM 0 HA ILE A 45 -0.429 10.266 -2.965 1.00 21.24 H new ATOM 0 HB ILE A 45 0.009 13.129 -2.013 1.00 20.20 H new ATOM 0 HG12 ILE A 45 -0.674 13.005 -4.364 1.00 3.23 H new ATOM 0 HG13 ILE A 45 1.003 13.492 -4.228 1.00 3.23 H new ATOM 0 HG21 ILE A 45 2.415 12.668 -2.330 1.00 54.02 H new ATOM 0 HG22 ILE A 45 1.703 11.625 -1.076 1.00 54.02 H new ATOM 0 HG23 ILE A 45 2.036 10.968 -2.696 1.00 54.02 H new ATOM 0 HD11 ILE A 45 0.702 11.887 -6.050 1.00 22.15 H new ATOM 0 HD12 ILE A 45 1.729 11.194 -4.772 1.00 22.15 H new ATOM 0 HD13 ILE A 45 0.025 10.699 -4.910 1.00 22.15 H new ATOM 704 N GLN A 46 -0.437 9.420 -0.615 1.00 12.44 N ATOM 705 CA GLN A 46 -0.426 8.890 0.751 1.00 23.45 C ATOM 706 C GLN A 46 0.834 9.322 1.525 1.00 43.23 C ATOM 707 O GLN A 46 1.946 8.891 1.223 1.00 4.44 O ATOM 708 CB GLN A 46 -0.538 7.358 0.735 1.00 35.14 C ATOM 709 CG GLN A 46 -0.550 6.723 2.126 1.00 22.45 C ATOM 710 CD GLN A 46 -0.667 5.207 2.090 1.00 42.40 C ATOM 711 OE1 GLN A 46 -0.223 4.556 1.155 1.00 75.12 O ATOM 712 NE2 GLN A 46 -1.259 4.633 3.116 1.00 11.24 N ATOM 0 H GLN A 46 -0.265 8.722 -1.338 1.00 12.44 H new ATOM 0 HA GLN A 46 -1.291 9.307 1.267 1.00 23.45 H new ATOM 0 HB2 GLN A 46 -1.450 7.076 0.210 1.00 35.14 H new ATOM 0 HB3 GLN A 46 0.297 6.948 0.167 1.00 35.14 H new ATOM 0 HG2 GLN A 46 0.364 6.998 2.652 1.00 22.45 H new ATOM 0 HG3 GLN A 46 -1.383 7.132 2.698 1.00 22.45 H new ATOM 0 HE21 GLN A 46 -1.619 5.203 3.881 1.00 11.24 H new ATOM 0 HE22 GLN A 46 -1.357 3.618 3.146 1.00 11.24 H new ATOM 721 N ASN A 47 0.643 10.189 2.517 1.00 53.33 N ATOM 722 CA ASN A 47 1.730 10.595 3.421 1.00 23.40 C ATOM 723 C ASN A 47 1.752 9.703 4.675 1.00 14.30 C ATOM 724 O ASN A 47 2.742 9.648 5.405 1.00 55.42 O ATOM 725 CB ASN A 47 1.558 12.070 3.817 1.00 53.14 C ATOM 726 CG ASN A 47 1.624 13.004 2.616 1.00 1.33 C ATOM 727 OD1 ASN A 47 0.891 13.984 2.534 1.00 40.53 O ATOM 728 ND2 ASN A 47 2.519 12.727 1.685 1.00 75.20 N ATOM 0 H ASN A 47 -0.255 10.628 2.720 1.00 53.33 H new ATOM 0 HA ASN A 47 2.681 10.477 2.901 1.00 23.40 H new ATOM 0 HB2 ASN A 47 0.601 12.199 4.322 1.00 53.14 H new ATOM 0 HB3 ASN A 47 2.334 12.345 4.531 1.00 53.14 H new ATOM 0 HD21 ASN A 47 2.614 13.335 0.872 1.00 75.20 H new ATOM 0 HD22 ASN A 47 3.115 11.905 1.779 1.00 75.20 H new ATOM 735 N GLN A 48 0.646 8.997 4.900 1.00 4.40 N ATOM 736 CA GLN A 48 0.494 8.112 6.058 1.00 11.43 C ATOM 737 C GLN A 48 1.287 6.805 5.883 1.00 74.22 C ATOM 738 O GLN A 48 0.907 5.940 5.095 1.00 62.31 O ATOM 739 CB GLN A 48 -0.994 7.796 6.268 1.00 74.15 C ATOM 740 CG GLN A 48 -1.857 9.036 6.489 1.00 34.34 C ATOM 741 CD GLN A 48 -3.345 8.734 6.463 1.00 41.34 C ATOM 742 OE1 GLN A 48 -3.796 7.826 5.773 1.00 52.44 O ATOM 743 NE2 GLN A 48 -4.118 9.490 7.210 1.00 1.41 N ATOM 0 H GLN A 48 -0.169 9.020 4.288 1.00 4.40 H new ATOM 0 HA GLN A 48 0.893 8.626 6.932 1.00 11.43 H new ATOM 0 HB2 GLN A 48 -1.368 7.254 5.400 1.00 74.15 H new ATOM 0 HB3 GLN A 48 -1.098 7.133 7.127 1.00 74.15 H new ATOM 0 HG2 GLN A 48 -1.599 9.485 7.448 1.00 34.34 H new ATOM 0 HG3 GLN A 48 -1.628 9.774 5.720 1.00 34.34 H new ATOM 0 HE21 GLN A 48 -3.711 10.237 7.772 1.00 1.41 H new ATOM 0 HE22 GLN A 48 -5.125 9.330 7.227 1.00 1.41 H new ATOM 752 N SER A 49 2.387 6.669 6.627 1.00 61.45 N ATOM 753 CA SER A 49 3.229 5.463 6.560 1.00 51.24 C ATOM 754 C SER A 49 2.577 4.291 7.309 1.00 30.43 C ATOM 755 O SER A 49 2.451 4.318 8.535 1.00 33.23 O ATOM 756 CB SER A 49 4.622 5.745 7.149 1.00 25.31 C ATOM 757 OG SER A 49 5.284 6.786 6.443 1.00 50.02 O ATOM 0 H SER A 49 2.719 7.376 7.283 1.00 61.45 H new ATOM 0 HA SER A 49 3.333 5.189 5.510 1.00 51.24 H new ATOM 0 HB2 SER A 49 4.525 6.020 8.199 1.00 25.31 H new ATOM 0 HB3 SER A 49 5.225 4.838 7.111 1.00 25.31 H new ATOM 0 HG SER A 49 6.165 6.943 6.842 1.00 50.02 H new ATOM 763 N LEU A 50 2.156 3.268 6.567 1.00 72.03 N ATOM 764 CA LEU A 50 1.457 2.116 7.157 1.00 71.25 C ATOM 765 C LEU A 50 2.435 1.063 7.727 1.00 12.43 C ATOM 766 O LEU A 50 3.250 0.483 7.006 1.00 61.34 O ATOM 767 CB LEU A 50 0.484 1.487 6.128 1.00 34.12 C ATOM 768 CG LEU A 50 0.872 1.620 4.637 1.00 31.22 C ATOM 769 CD1 LEU A 50 2.157 0.862 4.319 1.00 43.51 C ATOM 770 CD2 LEU A 50 -0.272 1.141 3.741 1.00 12.42 C ATOM 0 H LEU A 50 2.284 3.209 5.557 1.00 72.03 H new ATOM 0 HA LEU A 50 0.875 2.485 8.002 1.00 71.25 H new ATOM 0 HB2 LEU A 50 0.381 0.427 6.360 1.00 34.12 H new ATOM 0 HB3 LEU A 50 -0.498 1.940 6.266 1.00 34.12 H new ATOM 0 HG LEU A 50 1.056 2.675 4.437 1.00 31.22 H new ATOM 0 HD11 LEU A 50 2.397 0.979 3.262 1.00 43.51 H new ATOM 0 HD12 LEU A 50 2.973 1.260 4.922 1.00 43.51 H new ATOM 0 HD13 LEU A 50 2.021 -0.196 4.545 1.00 43.51 H new ATOM 0 HD21 LEU A 50 0.018 1.242 2.695 1.00 12.42 H new ATOM 0 HD22 LEU A 50 -0.491 0.095 3.958 1.00 12.42 H new ATOM 0 HD23 LEU A 50 -1.160 1.744 3.931 1.00 12.42 H new ATOM 782 N HIS A 51 2.330 0.814 9.034 1.00 43.33 N ATOM 783 CA HIS A 51 3.212 -0.132 9.730 1.00 71.52 C ATOM 784 C HIS A 51 2.811 -1.593 9.450 1.00 1.33 C ATOM 785 O HIS A 51 3.582 -2.521 9.704 1.00 63.24 O ATOM 786 CB HIS A 51 3.179 0.156 11.238 1.00 4.12 C ATOM 787 CG HIS A 51 4.090 -0.714 12.045 1.00 4.35 C ATOM 788 ND1 HIS A 51 3.633 -1.703 12.887 1.00 43.42 N ATOM 789 CD2 HIS A 51 5.441 -0.732 12.150 1.00 64.22 C ATOM 790 CE1 HIS A 51 4.657 -2.291 13.471 1.00 60.24 C ATOM 791 NE2 HIS A 51 5.762 -1.721 13.042 1.00 44.42 N ATOM 0 H HIS A 51 1.638 1.257 9.638 1.00 43.33 H new ATOM 0 HA HIS A 51 4.227 0.002 9.355 1.00 71.52 H new ATOM 0 HB2 HIS A 51 3.449 1.199 11.404 1.00 4.12 H new ATOM 0 HB3 HIS A 51 2.158 0.029 11.599 1.00 4.12 H new ATOM 0 HD2 HIS A 51 6.134 -0.088 11.629 1.00 64.22 H new ATOM 0 HE1 HIS A 51 4.599 -3.103 14.181 1.00 60.24 H new ATOM 0 HE2 HIS A 51 6.708 -1.975 13.328 1.00 44.42 H new ATOM 800 N GLU A 52 1.596 -1.781 8.940 1.00 71.43 N ATOM 801 CA GLU A 52 1.098 -3.107 8.554 1.00 23.23 C ATOM 802 C GLU A 52 -0.020 -2.971 7.507 1.00 22.13 C ATOM 803 O GLU A 52 -0.780 -1.997 7.521 1.00 64.33 O ATOM 804 CB GLU A 52 0.595 -3.861 9.796 1.00 24.10 C ATOM 805 CG GLU A 52 0.252 -5.327 9.542 1.00 4.24 C ATOM 806 CD GLU A 52 -0.024 -6.099 10.825 1.00 54.23 C ATOM 807 OE1 GLU A 52 -1.180 -6.107 11.290 1.00 42.30 O ATOM 808 OE2 GLU A 52 0.922 -6.700 11.379 1.00 63.25 O ATOM 0 H GLU A 52 0.929 -1.026 8.782 1.00 71.43 H new ATOM 0 HA GLU A 52 1.913 -3.678 8.110 1.00 23.23 H new ATOM 0 HB2 GLU A 52 1.357 -3.807 10.573 1.00 24.10 H new ATOM 0 HB3 GLU A 52 -0.290 -3.354 10.181 1.00 24.10 H new ATOM 0 HG2 GLU A 52 -0.623 -5.384 8.894 1.00 4.24 H new ATOM 0 HG3 GLU A 52 1.076 -5.801 9.008 1.00 4.24 H new ATOM 815 N ALA A 53 -0.130 -3.940 6.596 1.00 75.32 N ATOM 816 CA ALA A 53 -1.055 -3.815 5.464 1.00 4.34 C ATOM 817 C ALA A 53 -1.577 -5.171 4.959 1.00 1.55 C ATOM 818 O ALA A 53 -1.083 -6.233 5.340 1.00 41.42 O ATOM 819 CB ALA A 53 -0.364 -3.063 4.332 1.00 31.45 C ATOM 0 H ALA A 53 0.402 -4.810 6.617 1.00 75.32 H new ATOM 0 HA ALA A 53 -1.926 -3.261 5.814 1.00 4.34 H new ATOM 0 HB1 ALA A 53 -1.047 -2.968 3.488 1.00 31.45 H new ATOM 0 HB2 ALA A 53 -0.074 -2.071 4.678 1.00 31.45 H new ATOM 0 HB3 ALA A 53 0.524 -3.612 4.019 1.00 31.45 H new ATOM 825 N LEU A 54 -2.590 -5.109 4.091 1.00 44.52 N ATOM 826 CA LEU A 54 -3.167 -6.299 3.448 1.00 13.52 C ATOM 827 C LEU A 54 -2.934 -6.253 1.930 1.00 62.24 C ATOM 828 O LEU A 54 -3.345 -5.307 1.255 1.00 44.04 O ATOM 829 CB LEU A 54 -4.675 -6.387 3.735 1.00 43.34 C ATOM 830 CG LEU A 54 -5.058 -6.608 5.207 1.00 42.21 C ATOM 831 CD1 LEU A 54 -6.574 -6.574 5.384 1.00 41.22 C ATOM 832 CD2 LEU A 54 -4.487 -7.929 5.720 1.00 32.22 C ATOM 0 H LEU A 54 -3.035 -4.235 3.812 1.00 44.52 H new ATOM 0 HA LEU A 54 -2.675 -7.181 3.858 1.00 13.52 H new ATOM 0 HB2 LEU A 54 -5.147 -5.467 3.389 1.00 43.34 H new ATOM 0 HB3 LEU A 54 -5.093 -7.201 3.143 1.00 43.34 H new ATOM 0 HG LEU A 54 -4.628 -5.797 5.795 1.00 42.21 H new ATOM 0 HD11 LEU A 54 -6.821 -6.733 6.434 1.00 41.22 H new ATOM 0 HD12 LEU A 54 -6.956 -5.605 5.064 1.00 41.22 H new ATOM 0 HD13 LEU A 54 -7.028 -7.360 4.781 1.00 41.22 H new ATOM 0 HD21 LEU A 54 -4.769 -8.067 6.764 1.00 32.22 H new ATOM 0 HD22 LEU A 54 -4.883 -8.752 5.125 1.00 32.22 H new ATOM 0 HD23 LEU A 54 -3.400 -7.912 5.637 1.00 32.22 H new ATOM 844 N ILE A 55 -2.295 -7.283 1.392 1.00 63.24 N ATOM 845 CA ILE A 55 -1.940 -7.317 -0.029 1.00 42.51 C ATOM 846 C ILE A 55 -2.898 -8.199 -0.841 1.00 5.31 C ATOM 847 O ILE A 55 -3.322 -9.269 -0.395 1.00 23.02 O ATOM 848 CB ILE A 55 -0.485 -7.826 -0.225 1.00 44.51 C ATOM 849 CG1 ILE A 55 -0.066 -7.766 -1.708 1.00 21.21 C ATOM 850 CG2 ILE A 55 -0.322 -9.248 0.324 1.00 11.33 C ATOM 851 CD1 ILE A 55 -0.083 -6.372 -2.300 1.00 64.04 C ATOM 0 H ILE A 55 -2.009 -8.110 1.916 1.00 63.24 H new ATOM 0 HA ILE A 55 -2.021 -6.294 -0.395 1.00 42.51 H new ATOM 0 HB ILE A 55 0.173 -7.164 0.338 1.00 44.51 H new ATOM 0 HG12 ILE A 55 0.938 -8.179 -1.808 1.00 21.21 H new ATOM 0 HG13 ILE A 55 -0.732 -8.404 -2.289 1.00 21.21 H new ATOM 0 HG21 ILE A 55 0.705 -9.580 0.174 1.00 11.33 H new ATOM 0 HG22 ILE A 55 -0.554 -9.256 1.389 1.00 11.33 H new ATOM 0 HG23 ILE A 55 -1.001 -9.920 -0.200 1.00 11.33 H new ATOM 0 HD11 ILE A 55 0.224 -6.417 -3.345 1.00 64.04 H new ATOM 0 HD12 ILE A 55 -1.091 -5.961 -2.235 1.00 64.04 H new ATOM 0 HD13 ILE A 55 0.605 -5.733 -1.747 1.00 64.04 H new ATOM 863 N THR A 56 -3.256 -7.728 -2.035 1.00 55.11 N ATOM 864 CA THR A 56 -3.992 -8.556 -2.993 1.00 33.01 C ATOM 865 C THR A 56 -3.089 -9.682 -3.517 1.00 1.10 C ATOM 866 O THR A 56 -1.917 -9.462 -3.825 1.00 43.33 O ATOM 867 CB THR A 56 -4.527 -7.727 -4.188 1.00 24.33 C ATOM 868 OG1 THR A 56 -3.455 -7.008 -4.818 1.00 4.02 O ATOM 869 CG2 THR A 56 -5.607 -6.748 -3.736 1.00 41.04 C ATOM 0 H THR A 56 -3.051 -6.784 -2.362 1.00 55.11 H new ATOM 0 HA THR A 56 -4.848 -8.978 -2.467 1.00 33.01 H new ATOM 0 HB THR A 56 -4.965 -8.420 -4.906 1.00 24.33 H new ATOM 0 HG1 THR A 56 -3.213 -6.233 -4.268 1.00 4.02 H new ATOM 0 HG21 THR A 56 -5.965 -6.179 -4.594 1.00 41.04 H new ATOM 0 HG22 THR A 56 -6.437 -7.300 -3.295 1.00 41.04 H new ATOM 0 HG23 THR A 56 -5.192 -6.065 -2.995 1.00 41.04 H new ATOM 877 N ARG A 57 -3.647 -10.882 -3.632 1.00 43.02 N ATOM 878 CA ARG A 57 -2.864 -12.088 -3.944 1.00 41.14 C ATOM 879 C ARG A 57 -2.028 -11.974 -5.237 1.00 30.51 C ATOM 880 O ARG A 57 -0.938 -12.542 -5.319 1.00 34.43 O ATOM 881 CB ARG A 57 -3.799 -13.303 -4.008 1.00 72.21 C ATOM 882 CG ARG A 57 -4.316 -13.744 -2.639 1.00 71.54 C ATOM 883 CD ARG A 57 -5.456 -14.749 -2.745 1.00 74.31 C ATOM 884 NE ARG A 57 -5.146 -15.860 -3.645 1.00 14.20 N ATOM 885 CZ ARG A 57 -4.903 -17.083 -3.255 1.00 13.31 C ATOM 886 NH1 ARG A 57 -4.819 -17.375 -1.997 1.00 53.21 N ATOM 887 NH2 ARG A 57 -4.728 -18.012 -4.135 1.00 52.03 N ATOM 0 H ARG A 57 -4.646 -11.053 -3.514 1.00 43.02 H new ATOM 0 HA ARG A 57 -2.140 -12.211 -3.139 1.00 41.14 H new ATOM 0 HB2 ARG A 57 -4.648 -13.066 -4.649 1.00 72.21 H new ATOM 0 HB3 ARG A 57 -3.270 -14.135 -4.474 1.00 72.21 H new ATOM 0 HG2 ARG A 57 -3.498 -14.185 -2.070 1.00 71.54 H new ATOM 0 HG3 ARG A 57 -4.656 -12.870 -2.083 1.00 71.54 H new ATOM 0 HD2 ARG A 57 -5.682 -15.142 -1.754 1.00 74.31 H new ATOM 0 HD3 ARG A 57 -6.353 -14.240 -3.098 1.00 74.31 H new ATOM 0 HE ARG A 57 -5.118 -15.666 -4.646 1.00 14.20 H new ATOM 0 HH11 ARG A 57 -4.943 -16.646 -1.295 1.00 53.21 H new ATOM 0 HH12 ARG A 57 -4.629 -18.334 -1.708 1.00 53.21 H new ATOM 0 HH21 ARG A 57 -4.780 -17.789 -5.129 1.00 52.03 H new ATOM 0 HH22 ARG A 57 -4.538 -18.968 -3.836 1.00 52.03 H new ATOM 901 N ASP A 58 -2.520 -11.244 -6.240 1.00 55.42 N ATOM 902 CA ASP A 58 -1.783 -11.103 -7.510 1.00 51.25 C ATOM 903 C ASP A 58 -1.029 -9.754 -7.587 1.00 45.22 C ATOM 904 O ASP A 58 -0.580 -9.339 -8.653 1.00 13.22 O ATOM 905 CB ASP A 58 -2.750 -11.265 -8.693 1.00 13.33 C ATOM 906 CG ASP A 58 -2.030 -11.568 -10.000 1.00 14.51 C ATOM 907 OD1 ASP A 58 -1.506 -12.695 -10.148 1.00 33.53 O ATOM 908 OD2 ASP A 58 -1.978 -10.689 -10.881 1.00 33.45 O ATOM 0 H ASP A 58 -3.410 -10.747 -6.206 1.00 55.42 H new ATOM 0 HA ASP A 58 -1.030 -11.890 -7.558 1.00 51.25 H new ATOM 0 HB2 ASP A 58 -3.453 -12.069 -8.475 1.00 13.33 H new ATOM 0 HB3 ASP A 58 -3.334 -10.352 -8.808 1.00 13.33 H new ATOM 913 N ARG A 59 -0.868 -9.095 -6.434 1.00 53.54 N ATOM 914 CA ARG A 59 -0.132 -7.819 -6.337 1.00 1.21 C ATOM 915 C ARG A 59 -0.707 -6.735 -7.270 1.00 55.32 C ATOM 916 O ARG A 59 -0.008 -6.220 -8.144 1.00 52.03 O ATOM 917 CB ARG A 59 1.374 -8.013 -6.634 1.00 10.42 C ATOM 918 CG ARG A 59 2.142 -8.847 -5.604 1.00 44.33 C ATOM 919 CD ARG A 59 1.778 -10.330 -5.660 1.00 0.40 C ATOM 920 NE ARG A 59 1.911 -10.882 -7.009 1.00 21.41 N ATOM 921 CZ ARG A 59 1.863 -12.156 -7.286 1.00 33.54 C ATOM 922 NH1 ARG A 59 1.770 -13.036 -6.342 1.00 14.41 N ATOM 923 NH2 ARG A 59 1.924 -12.556 -8.517 1.00 35.42 N ATOM 0 H ARG A 59 -1.240 -9.425 -5.543 1.00 53.54 H new ATOM 0 HA ARG A 59 -0.253 -7.478 -5.309 1.00 1.21 H new ATOM 0 HB2 ARG A 59 1.477 -8.487 -7.610 1.00 10.42 H new ATOM 0 HB3 ARG A 59 1.843 -7.032 -6.705 1.00 10.42 H new ATOM 0 HG2 ARG A 59 3.212 -8.733 -5.775 1.00 44.33 H new ATOM 0 HG3 ARG A 59 1.936 -8.463 -4.605 1.00 44.33 H new ATOM 0 HD2 ARG A 59 2.420 -10.886 -4.977 1.00 0.40 H new ATOM 0 HD3 ARG A 59 0.753 -10.464 -5.314 1.00 0.40 H new ATOM 0 HE ARG A 59 2.050 -10.230 -7.781 1.00 21.41 H new ATOM 0 HH11 ARG A 59 1.733 -12.737 -5.368 1.00 14.41 H new ATOM 0 HH12 ARG A 59 1.733 -14.029 -6.572 1.00 14.41 H new ATOM 0 HH21 ARG A 59 2.010 -11.874 -9.271 1.00 35.42 H new ATOM 0 HH22 ARG A 59 1.886 -13.552 -8.732 1.00 35.42 H new ATOM 937 N LYS A 60 -1.979 -6.392 -7.083 1.00 13.34 N ATOM 938 CA LYS A 60 -2.621 -5.325 -7.871 1.00 24.44 C ATOM 939 C LYS A 60 -2.904 -4.086 -7.007 1.00 2.42 C ATOM 940 O LYS A 60 -2.523 -2.966 -7.357 1.00 1.14 O ATOM 941 CB LYS A 60 -3.926 -5.838 -8.504 1.00 71.35 C ATOM 942 CG LYS A 60 -3.720 -6.963 -9.517 1.00 2.12 C ATOM 943 CD LYS A 60 -2.837 -6.518 -10.683 1.00 43.21 C ATOM 944 CE LYS A 60 -2.646 -7.628 -11.709 1.00 34.42 C ATOM 945 NZ LYS A 60 -1.777 -7.199 -12.840 1.00 31.34 N ATOM 0 H LYS A 60 -2.591 -6.832 -6.396 1.00 13.34 H new ATOM 0 HA LYS A 60 -1.931 -5.035 -8.663 1.00 24.44 H new ATOM 0 HB2 LYS A 60 -4.588 -6.191 -7.713 1.00 71.35 H new ATOM 0 HB3 LYS A 60 -4.431 -5.007 -8.996 1.00 71.35 H new ATOM 0 HG2 LYS A 60 -3.264 -7.820 -9.021 1.00 2.12 H new ATOM 0 HG3 LYS A 60 -4.687 -7.292 -9.897 1.00 2.12 H new ATOM 0 HD2 LYS A 60 -3.285 -5.650 -11.167 1.00 43.21 H new ATOM 0 HD3 LYS A 60 -1.865 -6.204 -10.303 1.00 43.21 H new ATOM 0 HE2 LYS A 60 -2.205 -8.499 -11.223 1.00 34.42 H new ATOM 0 HE3 LYS A 60 -3.618 -7.936 -12.095 1.00 34.42 H new ATOM 0 HZ1 LYS A 60 -1.673 -7.983 -13.515 1.00 31.34 H new ATOM 0 HZ2 LYS A 60 -2.209 -6.384 -13.320 1.00 31.34 H new ATOM 0 HZ3 LYS A 60 -0.841 -6.929 -12.476 1.00 31.34 H new ATOM 959 N GLN A 61 -3.579 -4.296 -5.878 1.00 50.23 N ATOM 960 CA GLN A 61 -3.863 -3.210 -4.930 1.00 10.24 C ATOM 961 C GLN A 61 -3.369 -3.554 -3.515 1.00 31.40 C ATOM 962 O GLN A 61 -3.196 -4.727 -3.164 1.00 73.22 O ATOM 963 CB GLN A 61 -5.367 -2.894 -4.899 1.00 20.34 C ATOM 964 CG GLN A 61 -5.923 -2.399 -6.234 1.00 41.33 C ATOM 965 CD GLN A 61 -7.364 -1.922 -6.139 1.00 54.41 C ATOM 966 OE1 GLN A 61 -8.145 -2.404 -5.329 1.00 73.14 O ATOM 967 NE2 GLN A 61 -7.723 -0.964 -6.970 1.00 31.14 N ATOM 0 H GLN A 61 -3.941 -5.206 -5.594 1.00 50.23 H new ATOM 0 HA GLN A 61 -3.323 -2.328 -5.274 1.00 10.24 H new ATOM 0 HB2 GLN A 61 -5.911 -3.790 -4.600 1.00 20.34 H new ATOM 0 HB3 GLN A 61 -5.554 -2.138 -4.136 1.00 20.34 H new ATOM 0 HG2 GLN A 61 -5.300 -1.583 -6.600 1.00 41.33 H new ATOM 0 HG3 GLN A 61 -5.860 -3.203 -6.968 1.00 41.33 H new ATOM 0 HE21 GLN A 61 -7.047 -0.584 -7.633 1.00 31.14 H new ATOM 0 HE22 GLN A 61 -8.677 -0.602 -6.950 1.00 31.14 H new ATOM 976 N VAL A 62 -3.136 -2.517 -2.711 1.00 55.14 N ATOM 977 CA VAL A 62 -2.655 -2.680 -1.333 1.00 44.21 C ATOM 978 C VAL A 62 -3.584 -1.980 -0.329 1.00 11.42 C ATOM 979 O VAL A 62 -3.771 -0.765 -0.384 1.00 60.43 O ATOM 980 CB VAL A 62 -1.223 -2.104 -1.159 1.00 74.25 C ATOM 981 CG1 VAL A 62 -0.719 -2.312 0.272 1.00 70.24 C ATOM 982 CG2 VAL A 62 -0.256 -2.726 -2.167 1.00 61.43 C ATOM 0 H VAL A 62 -3.273 -1.546 -2.991 1.00 55.14 H new ATOM 0 HA VAL A 62 -2.643 -3.752 -1.135 1.00 44.21 H new ATOM 0 HB VAL A 62 -1.269 -1.032 -1.351 1.00 74.25 H new ATOM 0 HG11 VAL A 62 0.286 -1.900 0.367 1.00 70.24 H new ATOM 0 HG12 VAL A 62 -1.386 -1.806 0.970 1.00 70.24 H new ATOM 0 HG13 VAL A 62 -0.697 -3.378 0.499 1.00 70.24 H new ATOM 0 HG21 VAL A 62 0.739 -2.305 -2.024 1.00 61.43 H new ATOM 0 HG22 VAL A 62 -0.219 -3.805 -2.018 1.00 61.43 H new ATOM 0 HG23 VAL A 62 -0.598 -2.511 -3.179 1.00 61.43 H new ATOM 992 N PHE A 63 -4.160 -2.755 0.579 1.00 63.52 N ATOM 993 CA PHE A 63 -4.969 -2.211 1.676 1.00 31.33 C ATOM 994 C PHE A 63 -4.098 -2.077 2.933 1.00 24.12 C ATOM 995 O PHE A 63 -2.978 -2.581 2.963 1.00 31.21 O ATOM 996 CB PHE A 63 -6.171 -3.125 1.953 1.00 14.12 C ATOM 997 CG PHE A 63 -7.091 -3.297 0.766 1.00 0.20 C ATOM 998 CD1 PHE A 63 -6.724 -4.098 -0.308 1.00 45.13 C ATOM 999 CD2 PHE A 63 -8.323 -2.659 0.727 1.00 54.04 C ATOM 1000 CE1 PHE A 63 -7.562 -4.252 -1.396 1.00 3.21 C ATOM 1001 CE2 PHE A 63 -9.164 -2.812 -0.360 1.00 32.45 C ATOM 1002 CZ PHE A 63 -8.784 -3.610 -1.420 1.00 5.43 C ATOM 0 H PHE A 63 -4.085 -3.772 0.582 1.00 63.52 H new ATOM 0 HA PHE A 63 -5.345 -1.227 1.394 1.00 31.33 H new ATOM 0 HB2 PHE A 63 -5.807 -4.104 2.264 1.00 14.12 H new ATOM 0 HB3 PHE A 63 -6.742 -2.717 2.787 1.00 14.12 H new ATOM 0 HD1 PHE A 63 -5.772 -4.607 -0.292 1.00 45.13 H new ATOM 0 HD2 PHE A 63 -8.628 -2.036 1.555 1.00 54.04 H new ATOM 0 HE1 PHE A 63 -7.261 -4.874 -2.226 1.00 3.21 H new ATOM 0 HE2 PHE A 63 -10.118 -2.307 -0.379 1.00 32.45 H new ATOM 0 HZ PHE A 63 -9.442 -3.732 -2.268 1.00 5.43 H new ATOM 1012 N ARG A 64 -4.594 -1.421 3.981 1.00 5.04 N ATOM 1013 CA ARG A 64 -3.763 -1.192 5.175 1.00 61.00 C ATOM 1014 C ARG A 64 -4.433 -1.684 6.467 1.00 13.12 C ATOM 1015 O ARG A 64 -5.632 -1.954 6.504 1.00 43.54 O ATOM 1016 CB ARG A 64 -3.398 0.296 5.299 1.00 62.44 C ATOM 1017 CG ARG A 64 -4.514 1.192 5.832 1.00 35.24 C ATOM 1018 CD ARG A 64 -4.087 2.656 5.853 1.00 24.43 C ATOM 1019 NE ARG A 64 -4.975 3.491 6.667 1.00 21.11 N ATOM 1020 CZ ARG A 64 -5.088 4.785 6.529 1.00 44.42 C ATOM 1021 NH1 ARG A 64 -4.565 5.382 5.509 1.00 72.42 N ATOM 1022 NH2 ARG A 64 -5.785 5.464 7.383 1.00 34.44 N ATOM 0 H ARG A 64 -5.541 -1.045 4.035 1.00 5.04 H new ATOM 0 HA ARG A 64 -2.854 -1.779 5.043 1.00 61.00 H new ATOM 0 HB2 ARG A 64 -2.533 0.389 5.956 1.00 62.44 H new ATOM 0 HB3 ARG A 64 -3.095 0.663 4.319 1.00 62.44 H new ATOM 0 HG2 ARG A 64 -5.402 1.079 5.210 1.00 35.24 H new ATOM 0 HG3 ARG A 64 -4.787 0.876 6.839 1.00 35.24 H new ATOM 0 HD2 ARG A 64 -3.071 2.729 6.240 1.00 24.43 H new ATOM 0 HD3 ARG A 64 -4.068 3.040 4.833 1.00 24.43 H new ATOM 0 HE ARG A 64 -5.538 3.034 7.384 1.00 21.11 H new ATOM 0 HH11 ARG A 64 -4.060 4.842 4.806 1.00 72.42 H new ATOM 0 HH12 ARG A 64 -4.657 6.393 5.407 1.00 72.42 H new ATOM 0 HH21 ARG A 64 -6.243 4.988 8.160 1.00 34.44 H new ATOM 0 HH22 ARG A 64 -5.876 6.475 7.279 1.00 34.44 H new ATOM 1036 N ILE A 65 -3.629 -1.814 7.519 1.00 52.21 N ATOM 1037 CA ILE A 65 -4.120 -2.194 8.847 1.00 62.23 C ATOM 1038 C ILE A 65 -3.734 -1.129 9.883 1.00 4.54 C ATOM 1039 O ILE A 65 -2.554 -0.924 10.163 1.00 34.14 O ATOM 1040 CB ILE A 65 -3.551 -3.567 9.289 1.00 73.54 C ATOM 1041 CG1 ILE A 65 -3.912 -4.647 8.257 1.00 23.53 C ATOM 1042 CG2 ILE A 65 -4.069 -3.947 10.677 1.00 10.14 C ATOM 1043 CD1 ILE A 65 -3.385 -6.023 8.600 1.00 53.14 C ATOM 0 H ILE A 65 -2.621 -1.660 7.479 1.00 52.21 H new ATOM 0 HA ILE A 65 -5.206 -2.271 8.785 1.00 62.23 H new ATOM 0 HB ILE A 65 -2.465 -3.491 9.346 1.00 73.54 H new ATOM 0 HG12 ILE A 65 -4.997 -4.697 8.163 1.00 23.53 H new ATOM 0 HG13 ILE A 65 -3.521 -4.351 7.284 1.00 23.53 H new ATOM 0 HG21 ILE A 65 -3.657 -4.914 10.967 1.00 10.14 H new ATOM 0 HG22 ILE A 65 -3.763 -3.190 11.399 1.00 10.14 H new ATOM 0 HG23 ILE A 65 -5.157 -4.008 10.655 1.00 10.14 H new ATOM 0 HD11 ILE A 65 -3.681 -6.730 7.825 1.00 53.14 H new ATOM 0 HD12 ILE A 65 -2.297 -5.990 8.665 1.00 53.14 H new ATOM 0 HD13 ILE A 65 -3.796 -6.342 9.558 1.00 53.14 H new ATOM 1055 N GLU A 66 -4.729 -0.443 10.436 1.00 14.01 N ATOM 1056 CA GLU A 66 -4.482 0.636 11.402 1.00 74.22 C ATOM 1057 C GLU A 66 -5.065 0.297 12.780 1.00 52.11 C ATOM 1058 O GLU A 66 -6.208 -0.151 12.887 1.00 45.31 O ATOM 1059 CB GLU A 66 -5.066 1.961 10.876 1.00 75.31 C ATOM 1060 CG GLU A 66 -6.561 1.905 10.559 1.00 62.32 C ATOM 1061 CD GLU A 66 -7.082 3.187 9.926 1.00 71.55 C ATOM 1062 OE1 GLU A 66 -6.960 3.344 8.693 1.00 74.22 O ATOM 1063 OE2 GLU A 66 -7.613 4.046 10.660 1.00 33.31 O ATOM 0 H GLU A 66 -5.715 -0.610 10.236 1.00 14.01 H new ATOM 0 HA GLU A 66 -3.404 0.747 11.519 1.00 74.22 H new ATOM 0 HB2 GLU A 66 -4.892 2.741 11.617 1.00 75.31 H new ATOM 0 HB3 GLU A 66 -4.526 2.251 9.975 1.00 75.31 H new ATOM 0 HG2 GLU A 66 -6.753 1.070 9.886 1.00 62.32 H new ATOM 0 HG3 GLU A 66 -7.115 1.708 11.477 1.00 62.32 H new ATOM 1070 N ASP A 67 -4.257 0.486 13.825 1.00 11.02 N ATOM 1071 CA ASP A 67 -4.677 0.221 15.209 1.00 43.31 C ATOM 1072 C ASP A 67 -5.140 -1.245 15.377 1.00 12.04 C ATOM 1073 O ASP A 67 -6.082 -1.537 16.120 1.00 44.24 O ATOM 1074 CB ASP A 67 -5.785 1.214 15.608 1.00 34.21 C ATOM 1075 CG ASP A 67 -5.974 1.319 17.111 1.00 12.41 C ATOM 1076 OD1 ASP A 67 -4.988 1.605 17.817 1.00 41.25 O ATOM 1077 OD2 ASP A 67 -7.113 1.145 17.594 1.00 40.21 O ATOM 0 H ASP A 67 -3.299 0.825 13.741 1.00 11.02 H new ATOM 0 HA ASP A 67 -3.826 0.364 15.875 1.00 43.31 H new ATOM 0 HB2 ASP A 67 -5.544 2.199 15.208 1.00 34.21 H new ATOM 0 HB3 ASP A 67 -6.725 0.905 15.150 1.00 34.21 H new ATOM 1082 N SER A 68 -4.449 -2.158 14.678 1.00 35.11 N ATOM 1083 CA SER A 68 -4.764 -3.604 14.694 1.00 31.14 C ATOM 1084 C SER A 68 -6.105 -3.914 14.007 1.00 52.31 C ATOM 1085 O SER A 68 -6.660 -5.004 14.166 1.00 22.24 O ATOM 1086 CB SER A 68 -4.760 -4.157 16.133 1.00 52.32 C ATOM 1087 OG SER A 68 -3.478 -4.030 16.735 1.00 14.23 O ATOM 0 H SER A 68 -3.655 -1.920 14.084 1.00 35.11 H new ATOM 0 HA SER A 68 -3.979 -4.102 14.125 1.00 31.14 H new ATOM 0 HB2 SER A 68 -5.499 -3.624 16.731 1.00 52.32 H new ATOM 0 HB3 SER A 68 -5.056 -5.206 16.122 1.00 52.32 H new ATOM 0 HG SER A 68 -3.508 -4.388 17.647 1.00 14.23 H new ATOM 1093 N ILE A 69 -6.608 -2.953 13.229 1.00 20.12 N ATOM 1094 CA ILE A 69 -7.866 -3.115 12.484 1.00 1.31 C ATOM 1095 C ILE A 69 -7.605 -3.273 10.972 1.00 34.50 C ATOM 1096 O ILE A 69 -7.071 -2.363 10.328 1.00 44.53 O ATOM 1097 CB ILE A 69 -8.810 -1.900 12.711 1.00 43.12 C ATOM 1098 CG1 ILE A 69 -9.133 -1.735 14.208 1.00 61.04 C ATOM 1099 CG2 ILE A 69 -10.097 -2.047 11.897 1.00 31.51 C ATOM 1100 CD1 ILE A 69 -9.858 -2.920 14.818 1.00 64.45 C ATOM 0 H ILE A 69 -6.161 -2.046 13.096 1.00 20.12 H new ATOM 0 HA ILE A 69 -8.345 -4.019 12.860 1.00 1.31 H new ATOM 0 HB ILE A 69 -8.293 -1.003 12.369 1.00 43.12 H new ATOM 0 HG12 ILE A 69 -8.204 -1.571 14.754 1.00 61.04 H new ATOM 0 HG13 ILE A 69 -9.743 -0.841 14.341 1.00 61.04 H new ATOM 0 HG21 ILE A 69 -10.740 -1.185 12.074 1.00 31.51 H new ATOM 0 HG22 ILE A 69 -9.852 -2.106 10.837 1.00 31.51 H new ATOM 0 HG23 ILE A 69 -10.618 -2.955 12.200 1.00 31.51 H new ATOM 0 HD11 ILE A 69 -10.049 -2.726 15.873 1.00 64.45 H new ATOM 0 HD12 ILE A 69 -10.805 -3.073 14.300 1.00 64.45 H new ATOM 0 HD13 ILE A 69 -9.242 -3.814 14.719 1.00 64.45 H new ATOM 1112 N PRO A 70 -7.960 -4.438 10.384 1.00 44.23 N ATOM 1113 CA PRO A 70 -7.804 -4.679 8.937 1.00 32.45 C ATOM 1114 C PRO A 70 -8.765 -3.825 8.090 1.00 61.43 C ATOM 1115 O PRO A 70 -9.975 -4.063 8.074 1.00 10.42 O ATOM 1116 CB PRO A 70 -8.123 -6.180 8.774 1.00 3.32 C ATOM 1117 CG PRO A 70 -8.127 -6.744 10.161 1.00 24.23 C ATOM 1118 CD PRO A 70 -8.521 -5.611 11.069 1.00 22.34 C ATOM 0 HA PRO A 70 -6.807 -4.408 8.591 1.00 32.45 H new ATOM 0 HB2 PRO A 70 -9.088 -6.325 8.289 1.00 3.32 H new ATOM 0 HB3 PRO A 70 -7.376 -6.674 8.152 1.00 3.32 H new ATOM 0 HG2 PRO A 70 -8.831 -7.572 10.243 1.00 24.23 H new ATOM 0 HG3 PRO A 70 -7.144 -7.133 10.427 1.00 24.23 H new ATOM 0 HD2 PRO A 70 -9.603 -5.537 11.178 1.00 22.34 H new ATOM 0 HD3 PRO A 70 -8.107 -5.732 12.070 1.00 22.34 H new ATOM 1126 N VAL A 71 -8.222 -2.824 7.395 1.00 74.34 N ATOM 1127 CA VAL A 71 -9.035 -1.931 6.564 1.00 54.00 C ATOM 1128 C VAL A 71 -9.288 -2.544 5.176 1.00 43.44 C ATOM 1129 O VAL A 71 -8.400 -2.577 4.322 1.00 53.22 O ATOM 1130 CB VAL A 71 -8.364 -0.541 6.406 1.00 45.50 C ATOM 1131 CG1 VAL A 71 -9.253 0.413 5.610 1.00 45.31 C ATOM 1132 CG2 VAL A 71 -8.019 0.044 7.777 1.00 14.13 C ATOM 0 H VAL A 71 -7.225 -2.611 7.390 1.00 74.34 H new ATOM 0 HA VAL A 71 -9.991 -1.801 7.072 1.00 54.00 H new ATOM 0 HB VAL A 71 -7.438 -0.671 5.846 1.00 45.50 H new ATOM 0 HG11 VAL A 71 -8.757 1.379 5.515 1.00 45.31 H new ATOM 0 HG12 VAL A 71 -9.434 -0.001 4.618 1.00 45.31 H new ATOM 0 HG13 VAL A 71 -10.203 0.542 6.128 1.00 45.31 H new ATOM 0 HG21 VAL A 71 -7.549 1.019 7.649 1.00 14.13 H new ATOM 0 HG22 VAL A 71 -8.930 0.155 8.365 1.00 14.13 H new ATOM 0 HG23 VAL A 71 -7.332 -0.625 8.295 1.00 14.13 H new ATOM 1142 N LEU A 72 -10.506 -3.031 4.965 1.00 62.43 N ATOM 1143 CA LEU A 72 -10.886 -3.674 3.702 1.00 22.22 C ATOM 1144 C LEU A 72 -11.521 -2.672 2.725 1.00 34.24 C ATOM 1145 O LEU A 72 -11.982 -3.052 1.646 1.00 72.24 O ATOM 1146 CB LEU A 72 -11.867 -4.821 3.981 1.00 55.44 C ATOM 1147 CG LEU A 72 -11.378 -5.865 4.996 1.00 51.44 C ATOM 1148 CD1 LEU A 72 -12.450 -6.923 5.235 1.00 23.21 C ATOM 1149 CD2 LEU A 72 -10.076 -6.512 4.534 1.00 35.04 C ATOM 0 H LEU A 72 -11.256 -2.994 5.655 1.00 62.43 H new ATOM 0 HA LEU A 72 -9.981 -4.065 3.238 1.00 22.22 H new ATOM 0 HB2 LEU A 72 -12.804 -4.397 4.342 1.00 55.44 H new ATOM 0 HB3 LEU A 72 -12.087 -5.327 3.041 1.00 55.44 H new ATOM 0 HG LEU A 72 -11.182 -5.353 5.938 1.00 51.44 H new ATOM 0 HD11 LEU A 72 -12.085 -7.654 5.957 1.00 23.21 H new ATOM 0 HD12 LEU A 72 -13.350 -6.447 5.624 1.00 23.21 H new ATOM 0 HD13 LEU A 72 -12.681 -7.425 4.296 1.00 23.21 H new ATOM 0 HD21 LEU A 72 -9.753 -7.247 5.272 1.00 35.04 H new ATOM 0 HD22 LEU A 72 -10.235 -7.006 3.575 1.00 35.04 H new ATOM 0 HD23 LEU A 72 -9.308 -5.746 4.424 1.00 35.04 H new ATOM 1161 N LEU A 73 -11.535 -1.394 3.107 1.00 44.51 N ATOM 1162 CA LEU A 73 -12.130 -0.331 2.285 1.00 2.33 C ATOM 1163 C LEU A 73 -11.441 -0.213 0.910 1.00 0.21 C ATOM 1164 O LEU A 73 -10.241 0.048 0.834 1.00 21.42 O ATOM 1165 CB LEU A 73 -12.037 1.015 3.023 1.00 45.13 C ATOM 1166 CG LEU A 73 -12.729 1.067 4.393 1.00 11.13 C ATOM 1167 CD1 LEU A 73 -12.517 2.425 5.056 1.00 62.44 C ATOM 1168 CD2 LEU A 73 -14.218 0.757 4.252 1.00 54.24 C ATOM 0 H LEU A 73 -11.138 -1.065 3.987 1.00 44.51 H new ATOM 0 HA LEU A 73 -13.175 -0.593 2.116 1.00 2.33 H new ATOM 0 HB2 LEU A 73 -10.984 1.264 3.157 1.00 45.13 H new ATOM 0 HB3 LEU A 73 -12.469 1.788 2.388 1.00 45.13 H new ATOM 0 HG LEU A 73 -12.281 0.307 5.033 1.00 11.13 H new ATOM 0 HD11 LEU A 73 -13.016 2.439 6.025 1.00 62.44 H new ATOM 0 HD12 LEU A 73 -11.450 2.600 5.195 1.00 62.44 H new ATOM 0 HD13 LEU A 73 -12.933 3.208 4.422 1.00 62.44 H new ATOM 0 HD21 LEU A 73 -14.693 0.798 5.232 1.00 54.24 H new ATOM 0 HD22 LEU A 73 -14.682 1.491 3.593 1.00 54.24 H new ATOM 0 HD23 LEU A 73 -14.344 -0.240 3.830 1.00 54.24 H new ATOM 1180 N PRO A 74 -12.191 -0.385 -0.198 1.00 72.32 N ATOM 1181 CA PRO A 74 -11.644 -0.250 -1.565 1.00 31.42 C ATOM 1182 C PRO A 74 -11.002 1.123 -1.803 1.00 41.03 C ATOM 1183 O PRO A 74 -10.021 1.255 -2.534 1.00 24.30 O ATOM 1184 CB PRO A 74 -12.876 -0.420 -2.465 1.00 33.30 C ATOM 1185 CG PRO A 74 -13.868 -1.154 -1.630 1.00 43.22 C ATOM 1186 CD PRO A 74 -13.624 -0.722 -0.209 1.00 33.05 C ATOM 0 HA PRO A 74 -10.854 -0.976 -1.757 1.00 31.42 H new ATOM 0 HB2 PRO A 74 -13.267 0.546 -2.784 1.00 33.30 H new ATOM 0 HB3 PRO A 74 -12.630 -0.979 -3.368 1.00 33.30 H new ATOM 0 HG2 PRO A 74 -14.886 -0.919 -1.939 1.00 43.22 H new ATOM 0 HG3 PRO A 74 -13.744 -2.232 -1.736 1.00 43.22 H new ATOM 0 HD2 PRO A 74 -14.241 0.135 0.062 1.00 33.05 H new ATOM 0 HD3 PRO A 74 -13.855 -1.518 0.499 1.00 33.05 H new ATOM 1194 N GLU A 75 -11.590 2.142 -1.180 1.00 71.22 N ATOM 1195 CA GLU A 75 -11.073 3.516 -1.237 1.00 53.33 C ATOM 1196 C GLU A 75 -9.666 3.642 -0.615 1.00 50.20 C ATOM 1197 O GLU A 75 -8.928 4.581 -0.917 1.00 12.13 O ATOM 1198 CB GLU A 75 -12.053 4.454 -0.519 1.00 63.31 C ATOM 1199 CG GLU A 75 -12.425 3.991 0.892 1.00 50.52 C ATOM 1200 CD GLU A 75 -13.597 4.762 1.481 1.00 21.00 C ATOM 1201 OE1 GLU A 75 -14.692 4.720 0.883 1.00 31.14 O ATOM 1202 OE2 GLU A 75 -13.434 5.419 2.532 1.00 42.13 O ATOM 0 H GLU A 75 -12.437 2.043 -0.621 1.00 71.22 H new ATOM 0 HA GLU A 75 -10.982 3.796 -2.287 1.00 53.33 H new ATOM 0 HB2 GLU A 75 -11.613 5.450 -0.461 1.00 63.31 H new ATOM 0 HB3 GLU A 75 -12.962 4.541 -1.115 1.00 63.31 H new ATOM 0 HG2 GLU A 75 -12.671 2.930 0.867 1.00 50.52 H new ATOM 0 HG3 GLU A 75 -11.559 4.102 1.545 1.00 50.52 H new ATOM 1209 N GLU A 76 -9.301 2.690 0.241 1.00 32.31 N ATOM 1210 CA GLU A 76 -7.995 2.699 0.917 1.00 62.41 C ATOM 1211 C GLU A 76 -6.953 1.864 0.147 1.00 4.40 C ATOM 1212 O GLU A 76 -5.830 1.671 0.603 1.00 32.55 O ATOM 1213 CB GLU A 76 -8.159 2.146 2.345 1.00 40.20 C ATOM 1214 CG GLU A 76 -6.945 2.356 3.247 1.00 1.50 C ATOM 1215 CD GLU A 76 -6.685 3.824 3.543 1.00 11.22 C ATOM 1216 OE1 GLU A 76 -7.375 4.382 4.421 1.00 23.52 O ATOM 1217 OE2 GLU A 76 -5.802 4.428 2.900 1.00 10.50 O ATOM 0 H GLU A 76 -9.892 1.896 0.487 1.00 32.31 H new ATOM 0 HA GLU A 76 -7.634 3.727 0.953 1.00 62.41 H new ATOM 0 HB2 GLU A 76 -9.026 2.619 2.807 1.00 40.20 H new ATOM 0 HB3 GLU A 76 -8.372 1.079 2.286 1.00 40.20 H new ATOM 0 HG2 GLU A 76 -7.097 1.821 4.185 1.00 1.50 H new ATOM 0 HG3 GLU A 76 -6.065 1.923 2.772 1.00 1.50 H new ATOM 1224 N ALA A 77 -7.332 1.374 -1.030 1.00 51.40 N ATOM 1225 CA ALA A 77 -6.462 0.492 -1.816 1.00 41.22 C ATOM 1226 C ALA A 77 -5.465 1.271 -2.694 1.00 43.11 C ATOM 1227 O ALA A 77 -5.852 1.945 -3.648 1.00 53.24 O ATOM 1228 CB ALA A 77 -7.308 -0.437 -2.676 1.00 33.23 C ATOM 0 H ALA A 77 -8.234 1.570 -1.464 1.00 51.40 H new ATOM 0 HA ALA A 77 -5.872 -0.093 -1.111 1.00 41.22 H new ATOM 0 HB1 ALA A 77 -6.656 -1.089 -3.257 1.00 33.23 H new ATOM 0 HB2 ALA A 77 -7.949 -1.042 -2.035 1.00 33.23 H new ATOM 0 HB3 ALA A 77 -7.925 0.155 -3.352 1.00 33.23 H new ATOM 1234 N ILE A 78 -4.183 1.167 -2.360 1.00 42.31 N ATOM 1235 CA ILE A 78 -3.111 1.775 -3.162 1.00 12.22 C ATOM 1236 C ILE A 78 -2.779 0.914 -4.398 1.00 24.42 C ATOM 1237 O ILE A 78 -2.798 -0.314 -4.332 1.00 15.22 O ATOM 1238 CB ILE A 78 -1.813 1.978 -2.319 1.00 72.33 C ATOM 1239 CG1 ILE A 78 -2.022 3.037 -1.214 1.00 42.10 C ATOM 1240 CG2 ILE A 78 -0.633 2.368 -3.213 1.00 73.34 C ATOM 1241 CD1 ILE A 78 -2.919 2.595 -0.075 1.00 63.23 C ATOM 0 H ILE A 78 -3.853 0.665 -1.535 1.00 42.31 H new ATOM 0 HA ILE A 78 -3.478 2.747 -3.490 1.00 12.22 H new ATOM 0 HB ILE A 78 -1.583 1.027 -1.839 1.00 72.33 H new ATOM 0 HG12 ILE A 78 -1.050 3.314 -0.806 1.00 42.10 H new ATOM 0 HG13 ILE A 78 -2.446 3.934 -1.665 1.00 42.10 H new ATOM 0 HG21 ILE A 78 0.258 2.503 -2.600 1.00 73.34 H new ATOM 0 HG22 ILE A 78 -0.455 1.580 -3.944 1.00 73.34 H new ATOM 0 HG23 ILE A 78 -0.862 3.299 -3.732 1.00 73.34 H new ATOM 0 HD11 ILE A 78 -3.008 3.402 0.652 1.00 63.23 H new ATOM 0 HD12 ILE A 78 -3.906 2.347 -0.465 1.00 63.23 H new ATOM 0 HD13 ILE A 78 -2.489 1.717 0.407 1.00 63.23 H new ATOM 1253 N ALA A 79 -2.473 1.562 -5.524 1.00 55.22 N ATOM 1254 CA ALA A 79 -2.135 0.845 -6.762 1.00 21.04 C ATOM 1255 C ALA A 79 -0.646 0.451 -6.814 1.00 72.41 C ATOM 1256 O ALA A 79 0.236 1.312 -6.860 1.00 55.15 O ATOM 1257 CB ALA A 79 -2.502 1.697 -7.973 1.00 53.11 C ATOM 0 H ALA A 79 -2.451 2.578 -5.607 1.00 55.22 H new ATOM 0 HA ALA A 79 -2.714 -0.078 -6.779 1.00 21.04 H new ATOM 0 HB1 ALA A 79 -2.249 1.159 -8.887 1.00 53.11 H new ATOM 0 HB2 ALA A 79 -3.572 1.906 -7.960 1.00 53.11 H new ATOM 0 HB3 ALA A 79 -1.948 2.635 -7.939 1.00 53.11 H new ATOM 1263 N THR A 80 -0.375 -0.856 -6.824 1.00 74.54 N ATOM 1264 CA THR A 80 1.007 -1.374 -6.866 1.00 75.25 C ATOM 1265 C THR A 80 1.768 -0.892 -8.105 1.00 52.31 C ATOM 1266 O THR A 80 2.946 -0.541 -8.031 1.00 1.10 O ATOM 1267 CB THR A 80 1.040 -2.919 -6.868 1.00 73.40 C ATOM 1268 OG1 THR A 80 0.306 -3.420 -7.997 1.00 20.53 O ATOM 1269 CG2 THR A 80 0.451 -3.486 -5.581 1.00 61.41 C ATOM 0 H THR A 80 -1.092 -1.582 -6.804 1.00 74.54 H new ATOM 0 HA THR A 80 1.488 -0.989 -5.967 1.00 75.25 H new ATOM 0 HB THR A 80 2.081 -3.235 -6.936 1.00 73.40 H new ATOM 0 HG1 THR A 80 0.259 -4.398 -7.949 1.00 20.53 H new ATOM 0 HG21 THR A 80 0.488 -4.575 -5.613 1.00 61.41 H new ATOM 0 HG22 THR A 80 1.028 -3.128 -4.728 1.00 61.41 H new ATOM 0 HG23 THR A 80 -0.585 -3.161 -5.481 1.00 61.41 H new ATOM 1277 N ILE A 81 1.074 -0.868 -9.239 1.00 73.33 N ATOM 1278 CA ILE A 81 1.665 -0.483 -10.527 1.00 21.22 C ATOM 1279 C ILE A 81 2.212 0.966 -10.513 1.00 51.15 C ATOM 1280 O ILE A 81 2.983 1.363 -11.393 1.00 22.24 O ATOM 1281 CB ILE A 81 0.617 -0.640 -11.663 1.00 24.14 C ATOM 1282 CG1 ILE A 81 1.267 -0.473 -13.050 1.00 74.54 C ATOM 1283 CG2 ILE A 81 -0.532 0.354 -11.480 1.00 71.21 C ATOM 1284 CD1 ILE A 81 2.318 -1.517 -13.370 1.00 22.20 C ATOM 0 H ILE A 81 0.086 -1.114 -9.296 1.00 73.33 H new ATOM 0 HA ILE A 81 2.508 -1.150 -10.707 1.00 21.22 H new ATOM 0 HB ILE A 81 0.211 -1.650 -11.605 1.00 24.14 H new ATOM 0 HG12 ILE A 81 0.488 -0.512 -13.812 1.00 74.54 H new ATOM 0 HG13 ILE A 81 1.722 0.516 -13.110 1.00 74.54 H new ATOM 0 HG21 ILE A 81 -1.255 0.227 -12.286 1.00 71.21 H new ATOM 0 HG22 ILE A 81 -1.021 0.173 -10.523 1.00 71.21 H new ATOM 0 HG23 ILE A 81 -0.140 1.371 -11.501 1.00 71.21 H new ATOM 0 HD11 ILE A 81 2.727 -1.329 -14.363 1.00 22.20 H new ATOM 0 HD12 ILE A 81 3.119 -1.465 -12.632 1.00 22.20 H new ATOM 0 HD13 ILE A 81 1.865 -2.508 -13.345 1.00 22.20 H new ATOM 1296 N GLN A 82 1.811 1.742 -9.506 1.00 34.33 N ATOM 1297 CA GLN A 82 2.260 3.132 -9.361 1.00 54.33 C ATOM 1298 C GLN A 82 3.500 3.235 -8.448 1.00 13.43 C ATOM 1299 O GLN A 82 4.265 4.197 -8.525 1.00 31.21 O ATOM 1300 CB GLN A 82 1.112 3.983 -8.789 1.00 71.44 C ATOM 1301 CG GLN A 82 1.403 5.481 -8.733 1.00 20.32 C ATOM 1302 CD GLN A 82 1.515 6.131 -10.108 1.00 51.24 C ATOM 1303 OE1 GLN A 82 2.249 7.094 -10.290 1.00 12.24 O ATOM 1304 NE2 GLN A 82 0.771 5.632 -11.084 1.00 73.20 N ATOM 0 H GLN A 82 1.173 1.432 -8.773 1.00 34.33 H new ATOM 0 HA GLN A 82 2.543 3.505 -10.345 1.00 54.33 H new ATOM 0 HB2 GLN A 82 0.220 3.821 -9.394 1.00 71.44 H new ATOM 0 HB3 GLN A 82 0.883 3.632 -7.783 1.00 71.44 H new ATOM 0 HG2 GLN A 82 0.612 5.976 -8.169 1.00 20.32 H new ATOM 0 HG3 GLN A 82 2.332 5.642 -8.187 1.00 20.32 H new ATOM 0 HE21 GLN A 82 0.168 4.829 -10.906 1.00 73.20 H new ATOM 0 HE22 GLN A 82 0.801 6.051 -12.014 1.00 73.20 H new ATOM 1313 N ILE A 83 3.701 2.227 -7.595 1.00 62.44 N ATOM 1314 CA ILE A 83 4.797 2.239 -6.612 1.00 63.22 C ATOM 1315 C ILE A 83 6.181 2.125 -7.285 1.00 42.45 C ATOM 1316 O ILE A 83 6.584 1.052 -7.738 1.00 43.23 O ATOM 1317 CB ILE A 83 4.632 1.093 -5.578 1.00 2.43 C ATOM 1318 CG1 ILE A 83 3.254 1.177 -4.900 1.00 21.23 C ATOM 1319 CG2 ILE A 83 5.753 1.124 -4.534 1.00 61.23 C ATOM 1320 CD1 ILE A 83 3.008 2.475 -4.158 1.00 61.24 C ATOM 0 H ILE A 83 3.120 1.389 -7.562 1.00 62.44 H new ATOM 0 HA ILE A 83 4.743 3.199 -6.100 1.00 63.22 H new ATOM 0 HB ILE A 83 4.700 0.144 -6.110 1.00 2.43 H new ATOM 0 HG12 ILE A 83 2.480 1.052 -5.657 1.00 21.23 H new ATOM 0 HG13 ILE A 83 3.154 0.347 -4.201 1.00 21.23 H new ATOM 0 HG21 ILE A 83 5.611 0.310 -3.823 1.00 61.23 H new ATOM 0 HG22 ILE A 83 6.716 1.008 -5.031 1.00 61.23 H new ATOM 0 HG23 ILE A 83 5.730 2.076 -4.004 1.00 61.23 H new ATOM 0 HD11 ILE A 83 2.015 2.455 -3.709 1.00 61.24 H new ATOM 0 HD12 ILE A 83 3.758 2.595 -3.376 1.00 61.24 H new ATOM 0 HD13 ILE A 83 3.074 3.311 -4.855 1.00 61.24 H new ATOM 1332 N ALA A 84 6.909 3.240 -7.325 1.00 32.04 N ATOM 1333 CA ALA A 84 8.224 3.302 -7.984 1.00 31.45 C ATOM 1334 C ALA A 84 9.276 2.385 -7.328 1.00 44.03 C ATOM 1335 O ALA A 84 10.224 1.951 -7.982 1.00 33.14 O ATOM 1336 CB ALA A 84 8.726 4.740 -8.007 1.00 43.43 C ATOM 0 H ALA A 84 6.612 4.122 -6.907 1.00 32.04 H new ATOM 0 HA ALA A 84 8.083 2.938 -9.002 1.00 31.45 H new ATOM 0 HB1 ALA A 84 9.699 4.778 -8.496 1.00 43.43 H new ATOM 0 HB2 ALA A 84 8.020 5.363 -8.556 1.00 43.43 H new ATOM 0 HB3 ALA A 84 8.819 5.109 -6.986 1.00 43.43 H new ATOM 1342 N ASN A 85 9.109 2.098 -6.039 1.00 12.43 N ATOM 1343 CA ASN A 85 10.088 1.291 -5.290 1.00 50.41 C ATOM 1344 C ASN A 85 9.683 -0.195 -5.202 1.00 33.35 C ATOM 1345 O ASN A 85 10.365 -0.994 -4.549 1.00 13.05 O ATOM 1346 CB ASN A 85 10.263 1.867 -3.881 1.00 31.22 C ATOM 1347 CG ASN A 85 10.615 3.349 -3.883 1.00 72.20 C ATOM 1348 OD1 ASN A 85 10.251 4.078 -2.971 1.00 62.33 O ATOM 1349 ND2 ASN A 85 11.333 3.811 -4.890 1.00 44.11 N ATOM 0 H ASN A 85 8.310 2.408 -5.487 1.00 12.43 H new ATOM 0 HA ASN A 85 11.032 1.337 -5.834 1.00 50.41 H new ATOM 0 HB2 ASN A 85 9.342 1.719 -3.317 1.00 31.22 H new ATOM 0 HB3 ASN A 85 11.047 1.314 -3.363 1.00 31.22 H new ATOM 0 HD21 ASN A 85 11.596 4.796 -4.919 1.00 44.11 H new ATOM 0 HD22 ASN A 85 11.625 3.183 -5.639 1.00 44.11 H new ATOM 1356 N PHE A 86 8.585 -0.564 -5.862 1.00 54.30 N ATOM 1357 CA PHE A 86 8.080 -1.941 -5.829 1.00 44.14 C ATOM 1358 C PHE A 86 9.046 -2.912 -6.538 1.00 33.53 C ATOM 1359 O PHE A 86 9.275 -2.798 -7.746 1.00 32.15 O ATOM 1360 CB PHE A 86 6.696 -1.996 -6.492 1.00 21.23 C ATOM 1361 CG PHE A 86 5.841 -3.131 -5.997 1.00 12.00 C ATOM 1362 CD1 PHE A 86 5.329 -3.098 -4.710 1.00 52.44 C ATOM 1363 CD2 PHE A 86 5.543 -4.217 -6.807 1.00 13.24 C ATOM 1364 CE1 PHE A 86 4.539 -4.129 -4.236 1.00 22.33 C ATOM 1365 CE2 PHE A 86 4.753 -5.249 -6.340 1.00 61.21 C ATOM 1366 CZ PHE A 86 4.251 -5.205 -5.052 1.00 15.54 C ATOM 0 H PHE A 86 8.025 0.073 -6.429 1.00 54.30 H new ATOM 0 HA PHE A 86 8.001 -2.252 -4.787 1.00 44.14 H new ATOM 0 HB2 PHE A 86 6.177 -1.055 -6.311 1.00 21.23 H new ATOM 0 HB3 PHE A 86 6.822 -2.089 -7.571 1.00 21.23 H new ATOM 0 HD1 PHE A 86 5.550 -2.257 -4.069 1.00 52.44 H new ATOM 0 HD2 PHE A 86 5.933 -4.256 -7.813 1.00 13.24 H new ATOM 0 HE1 PHE A 86 4.148 -4.093 -3.230 1.00 22.33 H new ATOM 0 HE2 PHE A 86 4.527 -6.089 -6.980 1.00 61.21 H new ATOM 0 HZ PHE A 86 3.634 -6.012 -4.685 1.00 15.54 H new