USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=12 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= -0.888 K(o=-2.3,f=-5.2) USER MOD Set 1.2: A 82 GLN : amide:sc= -1.43 K(o=-2.3,f=-5.2!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.0363 USER MOD Single : A 23 SER OG : rot -170:sc= -0.803 USER MOD Single : A 24 LYS NZ :NH3+ -158:sc= -0.0635 (180deg=-0.343) USER MOD Single : A 30 ASN : amide:sc= 1.18 K(o=1.2,f=-1.6!) USER MOD Single : A 31 LYS NZ :NH3+ -170:sc= -0.0123 (180deg=-0.135) USER MOD Single : A 35 SER OG : rot -26:sc= 0.242 USER MOD Single : A 37 THR OG1 : rot -24:sc= 1 USER MOD Single : A 44 SER OG : rot 130:sc= 0.214 USER MOD Single : A 46 GLN : amide:sc= -1.51! C(o=-1.5!,f=-11!) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.0064) USER MOD Single : A 56 THR OG1 : rot -70:sc= 0.436 USER MOD Single : A 60 LYS NZ :NH3+ -132:sc= -2.05! (180deg=-4.75!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot -38:sc= 0.815 USER MOD Single : A 80 THR OG1 : rot -169:sc= 0.419 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 289 N LEU A 18 -7.038 -12.270 0.564 1.00 24.20 N ATOM 290 CA LEU A 18 -6.240 -11.208 1.190 1.00 34.34 C ATOM 291 C LEU A 18 -5.254 -11.775 2.231 1.00 40.31 C ATOM 292 O LEU A 18 -5.563 -12.739 2.937 1.00 43.14 O ATOM 293 CB LEU A 18 -7.217 -10.196 1.826 1.00 20.22 C ATOM 294 CG LEU A 18 -6.624 -8.866 2.337 1.00 11.41 C ATOM 295 CD1 LEU A 18 -5.985 -9.027 3.714 1.00 60.12 C ATOM 296 CD2 LEU A 18 -5.626 -8.290 1.332 1.00 42.32 C ATOM 0 HA LEU A 18 -5.628 -10.712 0.437 1.00 34.34 H new ATOM 0 HB2 LEU A 18 -7.986 -9.962 1.090 1.00 20.22 H new ATOM 0 HB3 LEU A 18 -7.714 -10.687 2.662 1.00 20.22 H new ATOM 0 HG LEU A 18 -7.447 -8.159 2.440 1.00 11.41 H new ATOM 0 HD11 LEU A 18 -5.579 -8.070 4.041 1.00 60.12 H new ATOM 0 HD12 LEU A 18 -6.737 -9.364 4.427 1.00 60.12 H new ATOM 0 HD13 LEU A 18 -5.182 -9.762 3.659 1.00 60.12 H new ATOM 0 HD21 LEU A 18 -5.223 -7.353 1.716 1.00 42.32 H new ATOM 0 HD22 LEU A 18 -4.813 -9.000 1.179 1.00 42.32 H new ATOM 0 HD23 LEU A 18 -6.130 -8.106 0.383 1.00 42.32 H new ATOM 308 N SER A 19 -4.062 -11.178 2.311 1.00 12.41 N ATOM 309 CA SER A 19 -3.039 -11.595 3.284 1.00 4.21 C ATOM 310 C SER A 19 -2.263 -10.388 3.832 1.00 12.53 C ATOM 311 O SER A 19 -2.261 -9.318 3.225 1.00 3.35 O ATOM 312 CB SER A 19 -2.055 -12.579 2.637 1.00 2.14 C ATOM 313 OG SER A 19 -1.070 -13.016 3.564 1.00 35.51 O ATOM 0 H SER A 19 -3.777 -10.402 1.714 1.00 12.41 H new ATOM 0 HA SER A 19 -3.554 -12.083 4.112 1.00 4.21 H new ATOM 0 HB2 SER A 19 -2.601 -13.440 2.251 1.00 2.14 H new ATOM 0 HB3 SER A 19 -1.569 -12.102 1.786 1.00 2.14 H new ATOM 0 HG SER A 19 -0.460 -13.643 3.122 1.00 35.51 H new ATOM 319 N LEU A 20 -1.611 -10.561 4.982 1.00 31.03 N ATOM 320 CA LEU A 20 -0.771 -9.504 5.565 1.00 33.41 C ATOM 321 C LEU A 20 0.488 -9.298 4.697 1.00 44.22 C ATOM 322 O LEU A 20 1.146 -10.264 4.305 1.00 43.51 O ATOM 323 CB LEU A 20 -0.382 -9.880 7.013 1.00 1.23 C ATOM 324 CG LEU A 20 -0.148 -8.709 7.998 1.00 74.02 C ATOM 325 CD1 LEU A 20 1.033 -7.835 7.579 1.00 42.43 C ATOM 326 CD2 LEU A 20 -1.415 -7.867 8.143 1.00 43.21 C ATOM 0 H LEU A 20 -1.646 -11.420 5.531 1.00 31.03 H new ATOM 0 HA LEU A 20 -1.331 -8.569 5.590 1.00 33.41 H new ATOM 0 HB2 LEU A 20 -1.167 -10.516 7.422 1.00 1.23 H new ATOM 0 HB3 LEU A 20 0.527 -10.480 6.976 1.00 1.23 H new ATOM 0 HG LEU A 20 0.098 -9.144 8.967 1.00 74.02 H new ATOM 0 HD11 LEU A 20 1.160 -7.026 8.299 1.00 42.43 H new ATOM 0 HD12 LEU A 20 1.940 -8.439 7.548 1.00 42.43 H new ATOM 0 HD13 LEU A 20 0.843 -7.415 6.591 1.00 42.43 H new ATOM 0 HD21 LEU A 20 -1.231 -7.049 8.839 1.00 43.21 H new ATOM 0 HD22 LEU A 20 -1.695 -7.460 7.171 1.00 43.21 H new ATOM 0 HD23 LEU A 20 -2.225 -8.490 8.522 1.00 43.21 H new ATOM 338 N LEU A 21 0.809 -8.045 4.389 1.00 12.21 N ATOM 339 CA LEU A 21 1.956 -7.727 3.533 1.00 42.52 C ATOM 340 C LEU A 21 3.288 -8.140 4.187 1.00 62.43 C ATOM 341 O LEU A 21 3.615 -7.704 5.293 1.00 72.24 O ATOM 342 CB LEU A 21 1.966 -6.229 3.200 1.00 61.53 C ATOM 343 CG LEU A 21 3.123 -5.753 2.304 1.00 62.41 C ATOM 344 CD1 LEU A 21 3.148 -6.516 0.982 1.00 41.22 C ATOM 345 CD2 LEU A 21 3.020 -4.254 2.054 1.00 62.11 C ATOM 0 H LEU A 21 0.292 -7.229 4.718 1.00 12.21 H new ATOM 0 HA LEU A 21 1.852 -8.299 2.611 1.00 42.52 H new ATOM 0 HB2 LEU A 21 1.025 -5.978 2.711 1.00 61.53 H new ATOM 0 HB3 LEU A 21 1.999 -5.668 4.134 1.00 61.53 H new ATOM 0 HG LEU A 21 4.058 -5.957 2.826 1.00 62.41 H new ATOM 0 HD11 LEU A 21 3.976 -6.158 0.371 1.00 41.22 H new ATOM 0 HD12 LEU A 21 3.276 -7.580 1.179 1.00 41.22 H new ATOM 0 HD13 LEU A 21 2.209 -6.356 0.452 1.00 41.22 H new ATOM 0 HD21 LEU A 21 3.846 -3.934 1.419 1.00 62.11 H new ATOM 0 HD22 LEU A 21 2.074 -4.032 1.560 1.00 62.11 H new ATOM 0 HD23 LEU A 21 3.066 -3.723 3.005 1.00 62.11 H new ATOM 357 N GLU A 22 4.043 -8.991 3.488 1.00 1.24 N ATOM 358 CA GLU A 22 5.352 -9.455 3.965 1.00 74.24 C ATOM 359 C GLU A 22 6.292 -8.282 4.294 1.00 0.33 C ATOM 360 O GLU A 22 6.211 -7.215 3.686 1.00 43.41 O ATOM 361 CB GLU A 22 6.006 -10.359 2.909 1.00 42.21 C ATOM 362 CG GLU A 22 6.101 -9.717 1.528 1.00 35.21 C ATOM 363 CD GLU A 22 6.936 -10.533 0.556 1.00 64.44 C ATOM 364 OE1 GLU A 22 6.479 -11.615 0.129 1.00 72.02 O ATOM 365 OE2 GLU A 22 8.054 -10.100 0.215 1.00 43.30 O ATOM 0 H GLU A 22 3.770 -9.376 2.584 1.00 1.24 H new ATOM 0 HA GLU A 22 5.185 -10.018 4.883 1.00 74.24 H new ATOM 0 HB2 GLU A 22 7.007 -10.629 3.244 1.00 42.21 H new ATOM 0 HB3 GLU A 22 5.435 -11.284 2.832 1.00 42.21 H new ATOM 0 HG2 GLU A 22 5.098 -9.591 1.121 1.00 35.21 H new ATOM 0 HG3 GLU A 22 6.533 -8.721 1.624 1.00 35.21 H new ATOM 372 N SER A 23 7.199 -8.503 5.246 1.00 34.34 N ATOM 373 CA SER A 23 8.139 -7.465 5.700 1.00 64.52 C ATOM 374 C SER A 23 8.965 -6.877 4.541 1.00 74.51 C ATOM 375 O SER A 23 9.120 -5.655 4.438 1.00 0.22 O ATOM 376 CB SER A 23 9.080 -8.036 6.769 1.00 61.32 C ATOM 377 OG SER A 23 9.717 -9.220 6.309 1.00 4.02 O ATOM 0 H SER A 23 7.307 -9.398 5.724 1.00 34.34 H new ATOM 0 HA SER A 23 7.544 -6.656 6.124 1.00 64.52 H new ATOM 0 HB2 SER A 23 9.833 -7.292 7.030 1.00 61.32 H new ATOM 0 HB3 SER A 23 8.516 -8.252 7.677 1.00 61.32 H new ATOM 0 HG SER A 23 10.185 -9.650 7.055 1.00 4.02 H new ATOM 383 N LYS A 24 9.479 -7.746 3.669 1.00 1.11 N ATOM 384 CA LYS A 24 10.269 -7.309 2.501 1.00 4.11 C ATOM 385 C LYS A 24 9.460 -6.362 1.597 1.00 44.51 C ATOM 386 O LYS A 24 9.994 -5.390 1.065 1.00 23.44 O ATOM 387 CB LYS A 24 10.769 -8.516 1.685 1.00 12.24 C ATOM 388 CG LYS A 24 12.016 -9.223 2.244 1.00 60.22 C ATOM 389 CD LYS A 24 11.799 -9.830 3.635 1.00 42.02 C ATOM 390 CE LYS A 24 12.225 -8.881 4.755 1.00 30.44 C ATOM 391 NZ LYS A 24 13.692 -8.641 4.764 1.00 51.32 N ATOM 0 H LYS A 24 9.366 -8.757 3.743 1.00 1.11 H new ATOM 0 HA LYS A 24 11.132 -6.765 2.883 1.00 4.11 H new ATOM 0 HB2 LYS A 24 9.961 -9.244 1.614 1.00 12.24 H new ATOM 0 HB3 LYS A 24 10.987 -8.182 0.671 1.00 12.24 H new ATOM 0 HG2 LYS A 24 12.317 -10.012 1.554 1.00 60.22 H new ATOM 0 HG3 LYS A 24 12.839 -8.509 2.291 1.00 60.22 H new ATOM 0 HD2 LYS A 24 10.746 -10.084 3.758 1.00 42.02 H new ATOM 0 HD3 LYS A 24 12.363 -10.759 3.715 1.00 42.02 H new ATOM 0 HE2 LYS A 24 11.704 -7.930 4.640 1.00 30.44 H new ATOM 0 HE3 LYS A 24 11.921 -9.297 5.716 1.00 30.44 H new ATOM 0 HZ1 LYS A 24 13.986 -8.322 5.709 1.00 51.32 H new ATOM 0 HZ2 LYS A 24 14.189 -9.523 4.526 1.00 51.32 H new ATOM 0 HZ3 LYS A 24 13.929 -7.910 4.063 1.00 51.32 H new ATOM 405 N GLY A 25 8.177 -6.660 1.419 1.00 1.42 N ATOM 406 CA GLY A 25 7.304 -5.781 0.648 1.00 61.01 C ATOM 407 C GLY A 25 6.923 -4.517 1.414 1.00 71.44 C ATOM 408 O GLY A 25 6.905 -3.418 0.855 1.00 23.10 O ATOM 0 H GLY A 25 7.722 -7.493 1.793 1.00 1.42 H new ATOM 0 HA2 GLY A 25 7.802 -5.503 -0.281 1.00 61.01 H new ATOM 0 HA3 GLY A 25 6.399 -6.323 0.374 1.00 61.01 H new ATOM 412 N LEU A 26 6.640 -4.676 2.708 1.00 61.34 N ATOM 413 CA LEU A 26 6.191 -3.569 3.563 1.00 12.34 C ATOM 414 C LEU A 26 7.148 -2.373 3.492 1.00 3.10 C ATOM 415 O LEU A 26 6.713 -1.226 3.347 1.00 10.42 O ATOM 416 CB LEU A 26 6.056 -4.051 5.018 1.00 25.51 C ATOM 417 CG LEU A 26 5.546 -2.999 6.023 1.00 61.13 C ATOM 418 CD1 LEU A 26 4.135 -2.547 5.664 1.00 30.41 C ATOM 419 CD2 LEU A 26 5.591 -3.550 7.448 1.00 23.43 C ATOM 0 H LEU A 26 6.714 -5.570 3.194 1.00 61.34 H new ATOM 0 HA LEU A 26 5.219 -3.238 3.197 1.00 12.34 H new ATOM 0 HB2 LEU A 26 5.379 -4.905 5.038 1.00 25.51 H new ATOM 0 HB3 LEU A 26 7.029 -4.408 5.355 1.00 25.51 H new ATOM 0 HG LEU A 26 6.203 -2.131 5.971 1.00 61.13 H new ATOM 0 HD11 LEU A 26 3.796 -1.805 6.387 1.00 30.41 H new ATOM 0 HD12 LEU A 26 4.136 -2.108 4.666 1.00 30.41 H new ATOM 0 HD13 LEU A 26 3.463 -3.405 5.682 1.00 30.41 H new ATOM 0 HD21 LEU A 26 5.227 -2.793 8.143 1.00 23.43 H new ATOM 0 HD22 LEU A 26 4.961 -4.437 7.515 1.00 23.43 H new ATOM 0 HD23 LEU A 26 6.617 -3.814 7.704 1.00 23.43 H new ATOM 431 N GLU A 27 8.447 -2.641 3.576 1.00 4.51 N ATOM 432 CA GLU A 27 9.453 -1.580 3.508 1.00 64.31 C ATOM 433 C GLU A 27 9.405 -0.852 2.153 1.00 63.34 C ATOM 434 O GLU A 27 9.591 0.361 2.088 1.00 10.33 O ATOM 435 CB GLU A 27 10.861 -2.143 3.763 1.00 11.51 C ATOM 436 CG GLU A 27 11.291 -3.216 2.771 1.00 11.23 C ATOM 437 CD GLU A 27 12.686 -3.746 3.052 1.00 64.22 C ATOM 438 OE1 GLU A 27 12.824 -4.673 3.878 1.00 32.21 O ATOM 439 OE2 GLU A 27 13.658 -3.226 2.462 1.00 71.15 O ATOM 0 H GLU A 27 8.830 -3.579 3.691 1.00 4.51 H new ATOM 0 HA GLU A 27 9.222 -0.857 4.290 1.00 64.31 H new ATOM 0 HB2 GLU A 27 11.580 -1.324 3.730 1.00 11.51 H new ATOM 0 HB3 GLU A 27 10.898 -2.559 4.770 1.00 11.51 H new ATOM 0 HG2 GLU A 27 10.580 -4.041 2.803 1.00 11.23 H new ATOM 0 HG3 GLU A 27 11.259 -2.806 1.761 1.00 11.23 H new ATOM 446 N ALA A 28 9.115 -1.592 1.076 1.00 21.24 N ATOM 447 CA ALA A 28 9.033 -1.006 -0.272 1.00 52.52 C ATOM 448 C ALA A 28 7.898 0.027 -0.361 1.00 43.24 C ATOM 449 O ALA A 28 8.051 1.087 -0.974 1.00 25.15 O ATOM 450 CB ALA A 28 8.841 -2.099 -1.318 1.00 54.41 C ATOM 0 H ALA A 28 8.933 -2.595 1.109 1.00 21.24 H new ATOM 0 HA ALA A 28 9.973 -0.491 -0.472 1.00 52.52 H new ATOM 0 HB1 ALA A 28 8.782 -1.648 -2.309 1.00 54.41 H new ATOM 0 HB2 ALA A 28 9.684 -2.789 -1.282 1.00 54.41 H new ATOM 0 HB3 ALA A 28 7.919 -2.642 -1.111 1.00 54.41 H new ATOM 456 N LEU A 29 6.762 -0.293 0.261 1.00 25.41 N ATOM 457 CA LEU A 29 5.628 0.635 0.334 1.00 50.30 C ATOM 458 C LEU A 29 6.000 1.898 1.127 1.00 21.44 C ATOM 459 O LEU A 29 5.786 3.014 0.655 1.00 42.22 O ATOM 460 CB LEU A 29 4.397 -0.051 0.961 1.00 52.04 C ATOM 461 CG LEU A 29 3.582 -0.961 0.017 1.00 63.42 C ATOM 462 CD1 LEU A 29 2.965 -0.149 -1.119 1.00 32.12 C ATOM 463 CD2 LEU A 29 4.443 -2.098 -0.536 1.00 61.43 C ATOM 0 H LEU A 29 6.601 -1.188 0.722 1.00 25.41 H new ATOM 0 HA LEU A 29 5.375 0.933 -0.684 1.00 50.30 H new ATOM 0 HB2 LEU A 29 4.730 -0.646 1.811 1.00 52.04 H new ATOM 0 HB3 LEU A 29 3.734 0.721 1.353 1.00 52.04 H new ATOM 0 HG LEU A 29 2.774 -1.406 0.598 1.00 63.42 H new ATOM 0 HD11 LEU A 29 2.395 -0.811 -1.772 1.00 32.12 H new ATOM 0 HD12 LEU A 29 2.302 0.611 -0.705 1.00 32.12 H new ATOM 0 HD13 LEU A 29 3.756 0.333 -1.693 1.00 32.12 H new ATOM 0 HD21 LEU A 29 3.841 -2.722 -1.197 1.00 61.43 H new ATOM 0 HD22 LEU A 29 5.282 -1.681 -1.094 1.00 61.43 H new ATOM 0 HD23 LEU A 29 4.821 -2.703 0.289 1.00 61.43 H new ATOM 475 N ASN A 30 6.576 1.719 2.320 1.00 64.00 N ATOM 476 CA ASN A 30 7.011 2.858 3.146 1.00 2.31 C ATOM 477 C ASN A 30 8.040 3.735 2.412 1.00 42.43 C ATOM 478 O ASN A 30 8.038 4.957 2.553 1.00 45.14 O ATOM 479 CB ASN A 30 7.582 2.378 4.486 1.00 60.15 C ATOM 480 CG ASN A 30 6.508 1.826 5.411 1.00 20.42 C ATOM 481 OD1 ASN A 30 5.880 2.564 6.166 1.00 43.31 O ATOM 482 ND2 ASN A 30 6.299 0.527 5.382 1.00 74.31 N ATOM 0 H ASN A 30 6.752 0.805 2.736 1.00 64.00 H new ATOM 0 HA ASN A 30 6.129 3.469 3.340 1.00 2.31 H new ATOM 0 HB2 ASN A 30 8.331 1.608 4.303 1.00 60.15 H new ATOM 0 HB3 ASN A 30 8.091 3.207 4.979 1.00 60.15 H new ATOM 0 HD21 ASN A 30 5.601 0.109 5.997 1.00 74.31 H new ATOM 0 HD22 ASN A 30 6.835 -0.062 4.745 1.00 74.31 H new ATOM 489 N LYS A 31 8.918 3.109 1.631 1.00 23.21 N ATOM 490 CA LYS A 31 9.867 3.854 0.789 1.00 44.53 C ATOM 491 C LYS A 31 9.125 4.721 -0.241 1.00 10.50 C ATOM 492 O LYS A 31 9.430 5.901 -0.415 1.00 25.21 O ATOM 493 CB LYS A 31 10.817 2.888 0.067 1.00 75.31 C ATOM 494 CG LYS A 31 11.754 2.122 0.995 1.00 74.31 C ATOM 495 CD LYS A 31 12.604 1.112 0.227 1.00 23.52 C ATOM 496 CE LYS A 31 13.486 0.291 1.157 1.00 43.44 C ATOM 497 NZ LYS A 31 14.413 1.144 1.949 1.00 0.22 N ATOM 0 H LYS A 31 8.996 2.095 1.560 1.00 23.21 H new ATOM 0 HA LYS A 31 10.449 4.508 1.439 1.00 44.53 H new ATOM 0 HB2 LYS A 31 10.225 2.173 -0.504 1.00 75.31 H new ATOM 0 HB3 LYS A 31 11.414 3.452 -0.650 1.00 75.31 H new ATOM 0 HG2 LYS A 31 12.405 2.824 1.516 1.00 74.31 H new ATOM 0 HG3 LYS A 31 11.170 1.603 1.755 1.00 74.31 H new ATOM 0 HD2 LYS A 31 11.953 0.445 -0.339 1.00 23.52 H new ATOM 0 HD3 LYS A 31 13.228 1.637 -0.496 1.00 23.52 H new ATOM 0 HE2 LYS A 31 12.858 -0.287 1.835 1.00 43.44 H new ATOM 0 HE3 LYS A 31 14.064 -0.424 0.571 1.00 43.44 H new ATOM 0 HZ1 LYS A 31 15.106 0.542 2.439 1.00 0.22 H new ATOM 0 HZ2 LYS A 31 14.911 1.799 1.313 1.00 0.22 H new ATOM 0 HZ3 LYS A 31 13.871 1.688 2.650 1.00 0.22 H new ATOM 511 N ALA A 32 8.146 4.123 -0.915 1.00 15.15 N ATOM 512 CA ALA A 32 7.315 4.847 -1.886 1.00 60.01 C ATOM 513 C ALA A 32 6.503 5.965 -1.206 1.00 20.33 C ATOM 514 O ALA A 32 6.194 6.990 -1.823 1.00 0.13 O ATOM 515 CB ALA A 32 6.393 3.873 -2.607 1.00 1.42 C ATOM 0 H ALA A 32 7.905 3.138 -0.810 1.00 15.15 H new ATOM 0 HA ALA A 32 7.973 5.319 -2.616 1.00 60.01 H new ATOM 0 HB1 ALA A 32 5.780 4.417 -3.326 1.00 1.42 H new ATOM 0 HB2 ALA A 32 6.990 3.127 -3.131 1.00 1.42 H new ATOM 0 HB3 ALA A 32 5.748 3.377 -1.881 1.00 1.42 H new ATOM 521 N ILE A 33 6.151 5.749 0.063 1.00 64.03 N ATOM 522 CA ILE A 33 5.493 6.774 0.883 1.00 4.22 C ATOM 523 C ILE A 33 6.400 8.003 1.053 1.00 32.55 C ATOM 524 O ILE A 33 5.998 9.131 0.770 1.00 64.31 O ATOM 525 CB ILE A 33 5.104 6.209 2.278 1.00 64.23 C ATOM 526 CG1 ILE A 33 4.000 5.146 2.140 1.00 20.05 C ATOM 527 CG2 ILE A 33 4.667 7.324 3.226 1.00 10.12 C ATOM 528 CD1 ILE A 33 3.615 4.482 3.448 1.00 3.40 C ATOM 0 H ILE A 33 6.311 4.867 0.550 1.00 64.03 H new ATOM 0 HA ILE A 33 4.583 7.076 0.364 1.00 4.22 H new ATOM 0 HB ILE A 33 5.987 5.737 2.708 1.00 64.23 H new ATOM 0 HG12 ILE A 33 3.115 5.611 1.706 1.00 20.05 H new ATOM 0 HG13 ILE A 33 4.333 4.380 1.440 1.00 20.05 H new ATOM 0 HG21 ILE A 33 4.402 6.896 4.193 1.00 10.12 H new ATOM 0 HG22 ILE A 33 5.485 8.033 3.355 1.00 10.12 H new ATOM 0 HG23 ILE A 33 3.802 7.839 2.808 1.00 10.12 H new ATOM 0 HD11 ILE A 33 2.832 3.746 3.266 1.00 3.40 H new ATOM 0 HD12 ILE A 33 4.487 3.986 3.875 1.00 3.40 H new ATOM 0 HD13 ILE A 33 3.249 5.236 4.145 1.00 3.40 H new ATOM 540 N VAL A 34 7.635 7.772 1.497 1.00 33.43 N ATOM 541 CA VAL A 34 8.622 8.847 1.631 1.00 25.23 C ATOM 542 C VAL A 34 8.968 9.455 0.257 1.00 12.42 C ATOM 543 O VAL A 34 9.299 10.635 0.145 1.00 2.12 O ATOM 544 CB VAL A 34 9.919 8.335 2.316 1.00 44.54 C ATOM 545 CG1 VAL A 34 10.926 9.467 2.515 1.00 62.41 C ATOM 546 CG2 VAL A 34 9.593 7.663 3.650 1.00 42.34 C ATOM 0 H VAL A 34 7.977 6.851 1.770 1.00 33.43 H new ATOM 0 HA VAL A 34 8.176 9.620 2.257 1.00 25.23 H new ATOM 0 HB VAL A 34 10.375 7.596 1.658 1.00 44.54 H new ATOM 0 HG11 VAL A 34 11.822 9.076 2.996 1.00 62.41 H new ATOM 0 HG12 VAL A 34 11.190 9.893 1.547 1.00 62.41 H new ATOM 0 HG13 VAL A 34 10.484 10.240 3.143 1.00 62.41 H new ATOM 0 HG21 VAL A 34 10.514 7.311 4.115 1.00 42.34 H new ATOM 0 HG22 VAL A 34 9.105 8.381 4.309 1.00 42.34 H new ATOM 0 HG23 VAL A 34 8.927 6.817 3.478 1.00 42.34 H new ATOM 556 N SER A 35 8.873 8.634 -0.786 1.00 35.42 N ATOM 557 CA SER A 35 9.123 9.079 -2.167 1.00 72.32 C ATOM 558 C SER A 35 7.958 9.919 -2.719 1.00 71.31 C ATOM 559 O SER A 35 8.085 10.551 -3.769 1.00 31.44 O ATOM 560 CB SER A 35 9.364 7.866 -3.079 1.00 25.52 C ATOM 561 OG SER A 35 9.552 8.245 -4.437 1.00 63.32 O ATOM 0 H SER A 35 8.623 7.648 -0.706 1.00 35.42 H new ATOM 0 HA SER A 35 10.012 9.709 -2.151 1.00 72.32 H new ATOM 0 HB2 SER A 35 10.241 7.320 -2.731 1.00 25.52 H new ATOM 0 HB3 SER A 35 8.516 7.185 -3.007 1.00 25.52 H new ATOM 0 HG SER A 35 9.093 9.094 -4.606 1.00 63.32 H new ATOM 567 N GLY A 36 6.824 9.914 -2.012 1.00 61.33 N ATOM 568 CA GLY A 36 5.661 10.688 -2.438 1.00 52.34 C ATOM 569 C GLY A 36 5.089 10.230 -3.780 1.00 43.21 C ATOM 570 O GLY A 36 4.828 11.046 -4.666 1.00 11.05 O ATOM 0 H GLY A 36 6.690 9.386 -1.150 1.00 61.33 H new ATOM 0 HA2 GLY A 36 4.885 10.614 -1.676 1.00 52.34 H new ATOM 0 HA3 GLY A 36 5.939 11.740 -2.509 1.00 52.34 H new ATOM 574 N THR A 37 4.904 8.920 -3.934 1.00 1.43 N ATOM 575 CA THR A 37 4.356 8.354 -5.182 1.00 5.44 C ATOM 576 C THR A 37 3.214 7.358 -4.912 1.00 21.44 C ATOM 577 O THR A 37 2.723 6.698 -5.830 1.00 73.41 O ATOM 578 CB THR A 37 5.459 7.650 -6.013 1.00 43.50 C ATOM 579 OG1 THR A 37 4.919 7.140 -7.246 1.00 72.43 O ATOM 580 CG2 THR A 37 6.102 6.511 -5.225 1.00 40.15 C ATOM 0 H THR A 37 5.122 8.227 -3.218 1.00 1.43 H new ATOM 0 HA THR A 37 3.957 9.194 -5.750 1.00 5.44 H new ATOM 0 HB THR A 37 6.224 8.393 -6.238 1.00 43.50 H new ATOM 0 HG1 THR A 37 3.956 6.989 -7.144 1.00 72.43 H new ATOM 0 HG21 THR A 37 6.872 6.036 -5.834 1.00 40.15 H new ATOM 0 HG22 THR A 37 6.552 6.907 -4.315 1.00 40.15 H new ATOM 0 HG23 THR A 37 5.342 5.775 -4.963 1.00 40.15 H new ATOM 588 N VAL A 38 2.788 7.258 -3.654 1.00 53.45 N ATOM 589 CA VAL A 38 1.703 6.345 -3.274 1.00 43.11 C ATOM 590 C VAL A 38 0.325 7.003 -3.446 1.00 55.42 C ATOM 591 O VAL A 38 -0.109 7.793 -2.606 1.00 1.54 O ATOM 592 CB VAL A 38 1.855 5.872 -1.804 1.00 22.51 C ATOM 593 CG1 VAL A 38 0.712 4.942 -1.400 1.00 24.22 C ATOM 594 CG2 VAL A 38 3.202 5.191 -1.589 1.00 21.44 C ATOM 0 H VAL A 38 3.175 7.796 -2.879 1.00 53.45 H new ATOM 0 HA VAL A 38 1.772 5.485 -3.940 1.00 43.11 H new ATOM 0 HB VAL A 38 1.811 6.755 -1.166 1.00 22.51 H new ATOM 0 HG11 VAL A 38 0.847 4.628 -0.365 1.00 24.22 H new ATOM 0 HG12 VAL A 38 -0.237 5.468 -1.499 1.00 24.22 H new ATOM 0 HG13 VAL A 38 0.710 4.065 -2.048 1.00 24.22 H new ATOM 0 HG21 VAL A 38 3.285 4.868 -0.551 1.00 21.44 H new ATOM 0 HG22 VAL A 38 3.281 4.325 -2.246 1.00 21.44 H new ATOM 0 HG23 VAL A 38 4.005 5.893 -1.816 1.00 21.44 H new ATOM 604 N GLN A 39 -0.357 6.683 -4.545 1.00 14.21 N ATOM 605 CA GLN A 39 -1.704 7.209 -4.802 1.00 72.54 C ATOM 606 C GLN A 39 -2.794 6.218 -4.369 1.00 73.12 C ATOM 607 O GLN A 39 -2.704 5.015 -4.624 1.00 40.54 O ATOM 608 CB GLN A 39 -1.888 7.552 -6.289 1.00 61.13 C ATOM 609 CG GLN A 39 -0.959 8.650 -6.800 1.00 4.45 C ATOM 610 CD GLN A 39 -1.356 9.154 -8.181 1.00 51.22 C ATOM 611 OE1 GLN A 39 -1.915 8.424 -8.988 1.00 14.32 O ATOM 612 NE2 GLN A 39 -1.074 10.410 -8.461 1.00 14.41 N ATOM 0 H GLN A 39 -0.002 6.063 -5.273 1.00 14.21 H new ATOM 0 HA GLN A 39 -1.806 8.117 -4.208 1.00 72.54 H new ATOM 0 HB2 GLN A 39 -1.726 6.651 -6.880 1.00 61.13 H new ATOM 0 HB3 GLN A 39 -2.921 7.860 -6.454 1.00 61.13 H new ATOM 0 HG2 GLN A 39 -0.965 9.483 -6.097 1.00 4.45 H new ATOM 0 HG3 GLN A 39 0.062 8.270 -6.835 1.00 4.45 H new ATOM 0 HE21 GLN A 39 -0.607 10.995 -7.768 1.00 14.41 H new ATOM 0 HE22 GLN A 39 -1.323 10.798 -9.371 1.00 14.41 H new ATOM 621 N ARG A 40 -3.820 6.738 -3.699 1.00 61.55 N ATOM 622 CA ARG A 40 -4.999 5.947 -3.326 1.00 62.30 C ATOM 623 C ARG A 40 -6.168 6.227 -4.287 1.00 42.44 C ATOM 624 O ARG A 40 -6.023 6.995 -5.238 1.00 31.02 O ATOM 625 CB ARG A 40 -5.409 6.256 -1.875 1.00 41.11 C ATOM 626 CG ARG A 40 -5.504 7.749 -1.564 1.00 41.42 C ATOM 627 CD ARG A 40 -5.897 8.005 -0.112 1.00 1.02 C ATOM 628 NE ARG A 40 -5.788 9.420 0.248 1.00 44.40 N ATOM 629 CZ ARG A 40 -6.739 10.112 0.821 1.00 0.12 C ATOM 630 NH1 ARG A 40 -7.906 9.586 1.038 1.00 44.31 N ATOM 631 NH2 ARG A 40 -6.525 11.345 1.144 1.00 34.35 N ATOM 0 H ARG A 40 -3.862 7.712 -3.399 1.00 61.55 H new ATOM 0 HA ARG A 40 -4.743 4.890 -3.400 1.00 62.30 H new ATOM 0 HB2 ARG A 40 -6.374 5.791 -1.673 1.00 41.11 H new ATOM 0 HB3 ARG A 40 -4.687 5.799 -1.198 1.00 41.11 H new ATOM 0 HG2 ARG A 40 -4.545 8.224 -1.769 1.00 41.42 H new ATOM 0 HG3 ARG A 40 -6.237 8.211 -2.225 1.00 41.42 H new ATOM 0 HD2 ARG A 40 -6.921 7.668 0.051 1.00 1.02 H new ATOM 0 HD3 ARG A 40 -5.259 7.414 0.545 1.00 1.02 H new ATOM 0 HE ARG A 40 -4.912 9.898 0.038 1.00 44.40 H new ATOM 0 HH11 ARG A 40 -8.090 8.622 0.761 1.00 44.31 H new ATOM 0 HH12 ARG A 40 -8.638 10.137 1.486 1.00 44.31 H new ATOM 0 HH21 ARG A 40 -5.619 11.773 0.952 1.00 34.35 H new ATOM 0 HH22 ARG A 40 -7.262 11.890 1.591 1.00 34.35 H new ATOM 645 N ALA A 41 -7.323 5.606 -4.032 1.00 53.43 N ATOM 646 CA ALA A 41 -8.514 5.784 -4.881 1.00 33.32 C ATOM 647 C ALA A 41 -8.861 7.271 -5.088 1.00 24.31 C ATOM 648 O ALA A 41 -9.268 7.680 -6.181 1.00 31.12 O ATOM 649 CB ALA A 41 -9.702 5.043 -4.276 1.00 62.14 C ATOM 0 H ALA A 41 -7.463 4.974 -3.244 1.00 53.43 H new ATOM 0 HA ALA A 41 -8.285 5.365 -5.861 1.00 33.32 H new ATOM 0 HB1 ALA A 41 -10.578 5.180 -4.910 1.00 62.14 H new ATOM 0 HB2 ALA A 41 -9.469 3.981 -4.203 1.00 62.14 H new ATOM 0 HB3 ALA A 41 -9.909 5.438 -3.281 1.00 62.14 H new ATOM 655 N ASP A 42 -8.681 8.067 -4.038 1.00 41.40 N ATOM 656 CA ASP A 42 -8.955 9.510 -4.078 1.00 45.44 C ATOM 657 C ASP A 42 -8.014 10.264 -5.042 1.00 3.11 C ATOM 658 O ASP A 42 -8.257 11.425 -5.373 1.00 63.21 O ATOM 659 CB ASP A 42 -8.790 10.092 -2.670 1.00 11.12 C ATOM 660 CG ASP A 42 -9.561 9.309 -1.626 1.00 64.12 C ATOM 661 OD1 ASP A 42 -9.083 8.227 -1.221 1.00 32.02 O ATOM 662 OD2 ASP A 42 -10.636 9.776 -1.198 1.00 64.32 O ATOM 0 H ASP A 42 -8.342 7.736 -3.135 1.00 41.40 H new ATOM 0 HA ASP A 42 -9.975 9.639 -4.441 1.00 45.44 H new ATOM 0 HB2 ASP A 42 -7.733 10.101 -2.405 1.00 11.12 H new ATOM 0 HB3 ASP A 42 -9.129 11.128 -2.666 1.00 11.12 H new ATOM 667 N GLY A 43 -6.942 9.605 -5.477 1.00 34.51 N ATOM 668 CA GLY A 43 -5.903 10.278 -6.254 1.00 55.25 C ATOM 669 C GLY A 43 -4.917 11.033 -5.366 1.00 13.21 C ATOM 670 O GLY A 43 -3.973 11.660 -5.854 1.00 1.33 O ATOM 0 H GLY A 43 -6.770 8.614 -5.307 1.00 34.51 H new ATOM 0 HA2 GLY A 43 -5.363 9.542 -6.850 1.00 55.25 H new ATOM 0 HA3 GLY A 43 -6.367 10.974 -6.952 1.00 55.25 H new ATOM 674 N SER A 44 -5.144 10.957 -4.055 1.00 32.14 N ATOM 675 CA SER A 44 -4.306 11.633 -3.054 1.00 12.41 C ATOM 676 C SER A 44 -3.076 10.792 -2.685 1.00 53.15 C ATOM 677 O SER A 44 -3.103 9.561 -2.767 1.00 33.13 O ATOM 678 CB SER A 44 -5.141 11.924 -1.796 1.00 41.13 C ATOM 679 OG SER A 44 -4.328 12.268 -0.682 1.00 72.02 O ATOM 0 H SER A 44 -5.915 10.425 -3.652 1.00 32.14 H new ATOM 0 HA SER A 44 -3.950 12.568 -3.486 1.00 12.41 H new ATOM 0 HB2 SER A 44 -5.835 12.738 -2.003 1.00 41.13 H new ATOM 0 HB3 SER A 44 -5.741 11.048 -1.549 1.00 41.13 H new ATOM 0 HG SER A 44 -4.664 13.094 -0.274 1.00 72.02 H new ATOM 685 N ILE A 45 -2.008 11.468 -2.265 1.00 72.05 N ATOM 686 CA ILE A 45 -0.749 10.806 -1.904 1.00 52.13 C ATOM 687 C ILE A 45 -0.711 10.446 -0.409 1.00 10.44 C ATOM 688 O ILE A 45 -0.990 11.288 0.447 1.00 32.32 O ATOM 689 CB ILE A 45 0.470 11.715 -2.226 1.00 74.32 C ATOM 690 CG1 ILE A 45 0.515 12.050 -3.726 1.00 12.15 C ATOM 691 CG2 ILE A 45 1.776 11.052 -1.785 1.00 42.21 C ATOM 692 CD1 ILE A 45 0.755 10.849 -4.625 1.00 30.20 C ATOM 0 H ILE A 45 -1.987 12.483 -2.165 1.00 72.05 H new ATOM 0 HA ILE A 45 -0.693 9.892 -2.495 1.00 52.13 H new ATOM 0 HB ILE A 45 0.355 12.645 -1.668 1.00 74.32 H new ATOM 0 HG12 ILE A 45 -0.426 12.520 -4.010 1.00 12.15 H new ATOM 0 HG13 ILE A 45 1.303 12.783 -3.900 1.00 12.15 H new ATOM 0 HG21 ILE A 45 2.614 11.707 -2.021 1.00 42.21 H new ATOM 0 HG22 ILE A 45 1.748 10.872 -0.710 1.00 42.21 H new ATOM 0 HG23 ILE A 45 1.898 10.104 -2.309 1.00 42.21 H new ATOM 0 HD11 ILE A 45 0.773 11.172 -5.666 1.00 30.20 H new ATOM 0 HD12 ILE A 45 1.710 10.390 -4.371 1.00 30.20 H new ATOM 0 HD13 ILE A 45 -0.046 10.123 -4.484 1.00 30.20 H new ATOM 704 N GLN A 46 -0.367 9.197 -0.097 1.00 63.23 N ATOM 705 CA GLN A 46 -0.197 8.776 1.298 1.00 4.33 C ATOM 706 C GLN A 46 1.230 9.069 1.787 1.00 1.10 C ATOM 707 O GLN A 46 2.166 8.331 1.480 1.00 14.40 O ATOM 708 CB GLN A 46 -0.514 7.282 1.467 1.00 34.13 C ATOM 709 CG GLN A 46 -0.294 6.773 2.891 1.00 64.55 C ATOM 710 CD GLN A 46 -0.685 5.319 3.065 1.00 14.14 C ATOM 711 OE1 GLN A 46 -1.816 5.006 3.412 1.00 33.35 O ATOM 712 NE2 GLN A 46 0.248 4.419 2.834 1.00 13.53 N ATOM 0 H GLN A 46 -0.201 8.462 -0.784 1.00 63.23 H new ATOM 0 HA GLN A 46 -0.899 9.349 1.903 1.00 4.33 H new ATOM 0 HB2 GLN A 46 -1.551 7.103 1.181 1.00 34.13 H new ATOM 0 HB3 GLN A 46 0.109 6.706 0.783 1.00 34.13 H new ATOM 0 HG2 GLN A 46 0.756 6.896 3.157 1.00 64.55 H new ATOM 0 HG3 GLN A 46 -0.872 7.385 3.583 1.00 64.55 H new ATOM 0 HE21 GLN A 46 1.181 4.714 2.546 1.00 13.53 H new ATOM 0 HE22 GLN A 46 0.038 3.427 2.943 1.00 13.53 H new ATOM 721 N ASN A 47 1.387 10.156 2.543 1.00 75.10 N ATOM 722 CA ASN A 47 2.694 10.544 3.093 1.00 72.00 C ATOM 723 C ASN A 47 2.897 9.971 4.506 1.00 34.14 C ATOM 724 O ASN A 47 3.906 10.236 5.159 1.00 4.22 O ATOM 725 CB ASN A 47 2.817 12.072 3.127 1.00 40.12 C ATOM 726 CG ASN A 47 2.580 12.700 1.766 1.00 73.41 C ATOM 727 OD1 ASN A 47 3.496 12.830 0.962 1.00 60.14 O ATOM 728 ND2 ASN A 47 1.355 13.107 1.502 1.00 1.43 N ATOM 0 H ASN A 47 0.625 10.787 2.791 1.00 75.10 H new ATOM 0 HA ASN A 47 3.468 10.132 2.445 1.00 72.00 H new ATOM 0 HB2 ASN A 47 2.099 12.476 3.841 1.00 40.12 H new ATOM 0 HB3 ASN A 47 3.810 12.346 3.483 1.00 40.12 H new ATOM 0 HD21 ASN A 47 1.146 13.546 0.605 1.00 1.43 H new ATOM 0 HD22 ASN A 47 0.616 12.983 2.194 1.00 1.43 H new ATOM 735 N GLN A 48 1.932 9.173 4.960 1.00 60.23 N ATOM 736 CA GLN A 48 1.968 8.588 6.306 1.00 1.22 C ATOM 737 C GLN A 48 2.570 7.174 6.285 1.00 33.53 C ATOM 738 O GLN A 48 2.033 6.276 5.633 1.00 42.45 O ATOM 739 CB GLN A 48 0.550 8.521 6.892 1.00 52.04 C ATOM 740 CG GLN A 48 -0.227 9.829 6.800 1.00 23.05 C ATOM 741 CD GLN A 48 -1.595 9.741 7.458 1.00 41.43 C ATOM 742 OE1 GLN A 48 -1.752 10.045 8.634 1.00 72.35 O ATOM 743 NE2 GLN A 48 -2.592 9.308 6.713 1.00 42.05 N ATOM 0 H GLN A 48 1.110 8.914 4.415 1.00 60.23 H new ATOM 0 HA GLN A 48 2.597 9.227 6.926 1.00 1.22 H new ATOM 0 HB2 GLN A 48 -0.009 7.742 6.373 1.00 52.04 H new ATOM 0 HB3 GLN A 48 0.615 8.223 7.938 1.00 52.04 H new ATOM 0 HG2 GLN A 48 0.349 10.624 7.273 1.00 23.05 H new ATOM 0 HG3 GLN A 48 -0.348 10.103 5.752 1.00 23.05 H new ATOM 0 HE21 GLN A 48 -2.430 9.063 5.736 1.00 42.05 H new ATOM 0 HE22 GLN A 48 -3.526 9.218 7.113 1.00 42.05 H new ATOM 752 N SER A 49 3.677 6.978 6.997 1.00 60.24 N ATOM 753 CA SER A 49 4.279 5.645 7.136 1.00 5.00 C ATOM 754 C SER A 49 3.399 4.742 8.011 1.00 52.53 C ATOM 755 O SER A 49 2.799 5.202 8.986 1.00 30.31 O ATOM 756 CB SER A 49 5.686 5.742 7.746 1.00 31.43 C ATOM 757 OG SER A 49 5.649 6.320 9.044 1.00 42.33 O ATOM 0 H SER A 49 4.178 7.719 7.487 1.00 60.24 H new ATOM 0 HA SER A 49 4.356 5.209 6.140 1.00 5.00 H new ATOM 0 HB2 SER A 49 6.130 4.748 7.801 1.00 31.43 H new ATOM 0 HB3 SER A 49 6.325 6.341 7.097 1.00 31.43 H new ATOM 0 HG SER A 49 6.558 6.367 9.407 1.00 42.33 H new ATOM 763 N LEU A 50 3.333 3.456 7.674 1.00 60.24 N ATOM 764 CA LEU A 50 2.462 2.516 8.394 1.00 31.13 C ATOM 765 C LEU A 50 3.195 1.221 8.783 1.00 75.31 C ATOM 766 O LEU A 50 4.184 0.832 8.160 1.00 13.40 O ATOM 767 CB LEU A 50 1.196 2.213 7.562 1.00 22.42 C ATOM 768 CG LEU A 50 1.407 1.934 6.056 1.00 70.43 C ATOM 769 CD1 LEU A 50 2.120 0.602 5.820 1.00 35.14 C ATOM 770 CD2 LEU A 50 0.071 1.961 5.317 1.00 4.13 C ATOM 0 H LEU A 50 3.867 3.038 6.912 1.00 60.24 H new ATOM 0 HA LEU A 50 2.162 2.995 9.326 1.00 31.13 H new ATOM 0 HB2 LEU A 50 0.698 1.349 8.002 1.00 22.42 H new ATOM 0 HB3 LEU A 50 0.514 3.058 7.660 1.00 22.42 H new ATOM 0 HG LEU A 50 2.047 2.724 5.662 1.00 70.43 H new ATOM 0 HD11 LEU A 50 2.249 0.443 4.749 1.00 35.14 H new ATOM 0 HD12 LEU A 50 3.096 0.621 6.304 1.00 35.14 H new ATOM 0 HD13 LEU A 50 1.523 -0.209 6.238 1.00 35.14 H new ATOM 0 HD21 LEU A 50 0.237 1.763 4.258 1.00 4.13 H new ATOM 0 HD22 LEU A 50 -0.589 1.198 5.730 1.00 4.13 H new ATOM 0 HD23 LEU A 50 -0.390 2.942 5.435 1.00 4.13 H new ATOM 782 N HIS A 51 2.703 0.571 9.835 1.00 53.02 N ATOM 783 CA HIS A 51 3.269 -0.699 10.310 1.00 63.20 C ATOM 784 C HIS A 51 2.453 -1.897 9.796 1.00 52.31 C ATOM 785 O HIS A 51 2.977 -3.001 9.635 1.00 52.30 O ATOM 786 CB HIS A 51 3.310 -0.723 11.846 1.00 23.24 C ATOM 787 CG HIS A 51 4.222 0.299 12.458 1.00 61.02 C ATOM 788 ND1 HIS A 51 4.669 0.220 13.758 1.00 62.24 N ATOM 789 CD2 HIS A 51 4.765 1.430 11.951 1.00 33.01 C ATOM 790 CE1 HIS A 51 5.443 1.252 14.021 1.00 34.54 C ATOM 791 NE2 HIS A 51 5.522 2.002 12.942 1.00 23.52 N ATOM 0 H HIS A 51 1.908 0.902 10.381 1.00 53.02 H new ATOM 0 HA HIS A 51 4.284 -0.779 9.920 1.00 63.20 H new ATOM 0 HB2 HIS A 51 2.301 -0.566 12.227 1.00 23.24 H new ATOM 0 HB3 HIS A 51 3.623 -1.714 12.173 1.00 23.24 H new ATOM 0 HD2 HIS A 51 4.628 1.812 10.950 1.00 33.01 H new ATOM 0 HE1 HIS A 51 5.931 1.450 14.964 1.00 34.54 H new ATOM 0 HE2 HIS A 51 6.058 2.866 12.857 1.00 23.52 H new ATOM 800 N GLU A 52 1.168 -1.668 9.544 1.00 45.24 N ATOM 801 CA GLU A 52 0.259 -2.723 9.085 1.00 24.05 C ATOM 802 C GLU A 52 -0.256 -2.444 7.664 1.00 24.40 C ATOM 803 O GLU A 52 -0.793 -1.372 7.378 1.00 45.04 O ATOM 804 CB GLU A 52 -0.939 -2.856 10.045 1.00 5.12 C ATOM 805 CG GLU A 52 -0.628 -3.536 11.377 1.00 54.53 C ATOM 806 CD GLU A 52 0.259 -2.703 12.294 1.00 41.41 C ATOM 807 OE1 GLU A 52 -0.065 -1.519 12.532 1.00 64.31 O ATOM 808 OE2 GLU A 52 1.269 -3.235 12.804 1.00 41.25 O ATOM 0 H GLU A 52 0.726 -0.755 9.650 1.00 45.24 H new ATOM 0 HA GLU A 52 0.823 -3.656 9.072 1.00 24.05 H new ATOM 0 HB2 GLU A 52 -1.336 -1.861 10.246 1.00 5.12 H new ATOM 0 HB3 GLU A 52 -1.727 -3.418 9.543 1.00 5.12 H new ATOM 0 HG2 GLU A 52 -1.564 -3.755 11.891 1.00 54.53 H new ATOM 0 HG3 GLU A 52 -0.140 -4.491 11.183 1.00 54.53 H new ATOM 815 N ALA A 53 -0.095 -3.425 6.779 1.00 54.34 N ATOM 816 CA ALA A 53 -0.571 -3.322 5.395 1.00 43.43 C ATOM 817 C ALA A 53 -1.068 -4.679 4.878 1.00 14.41 C ATOM 818 O ALA A 53 -0.632 -5.732 5.348 1.00 12.14 O ATOM 819 CB ALA A 53 0.534 -2.780 4.497 1.00 1.24 C ATOM 0 H ALA A 53 0.365 -4.309 6.995 1.00 54.34 H new ATOM 0 HA ALA A 53 -1.412 -2.629 5.375 1.00 43.43 H new ATOM 0 HB1 ALA A 53 0.168 -2.708 3.473 1.00 1.24 H new ATOM 0 HB2 ALA A 53 0.834 -1.792 4.845 1.00 1.24 H new ATOM 0 HB3 ALA A 53 1.392 -3.452 4.530 1.00 1.24 H new ATOM 825 N LEU A 54 -1.982 -4.645 3.913 1.00 55.42 N ATOM 826 CA LEU A 54 -2.586 -5.863 3.354 1.00 34.20 C ATOM 827 C LEU A 54 -2.285 -5.996 1.856 1.00 51.14 C ATOM 828 O LEU A 54 -2.314 -5.011 1.121 1.00 13.33 O ATOM 829 CB LEU A 54 -4.100 -5.829 3.582 1.00 52.52 C ATOM 830 CG LEU A 54 -4.536 -5.705 5.048 1.00 24.50 C ATOM 831 CD1 LEU A 54 -6.050 -5.542 5.150 1.00 42.32 C ATOM 832 CD2 LEU A 54 -4.064 -6.914 5.854 1.00 73.31 C ATOM 0 H LEU A 54 -2.327 -3.781 3.495 1.00 55.42 H new ATOM 0 HA LEU A 54 -2.155 -6.727 3.860 1.00 34.20 H new ATOM 0 HB2 LEU A 54 -4.517 -4.991 3.023 1.00 52.52 H new ATOM 0 HB3 LEU A 54 -4.535 -6.738 3.166 1.00 52.52 H new ATOM 0 HG LEU A 54 -4.071 -4.813 5.469 1.00 24.50 H new ATOM 0 HD11 LEU A 54 -6.337 -5.456 6.198 1.00 42.32 H new ATOM 0 HD12 LEU A 54 -6.356 -4.643 4.615 1.00 42.32 H new ATOM 0 HD13 LEU A 54 -6.540 -6.411 4.710 1.00 42.32 H new ATOM 0 HD21 LEU A 54 -4.383 -6.807 6.891 1.00 73.31 H new ATOM 0 HD22 LEU A 54 -4.495 -7.822 5.433 1.00 73.31 H new ATOM 0 HD23 LEU A 54 -2.977 -6.976 5.814 1.00 73.31 H new ATOM 844 N ILE A 55 -2.017 -7.216 1.400 1.00 60.40 N ATOM 845 CA ILE A 55 -1.644 -7.446 -0.002 1.00 64.24 C ATOM 846 C ILE A 55 -2.518 -8.525 -0.667 1.00 13.32 C ATOM 847 O ILE A 55 -2.853 -9.546 -0.059 1.00 21.33 O ATOM 848 CB ILE A 55 -0.148 -7.841 -0.118 1.00 4.01 C ATOM 849 CG1 ILE A 55 0.282 -7.943 -1.594 1.00 75.15 C ATOM 850 CG2 ILE A 55 0.129 -9.155 0.615 1.00 25.43 C ATOM 851 CD1 ILE A 55 0.158 -6.643 -2.364 1.00 60.35 C ATOM 0 H ILE A 55 -2.049 -8.059 1.973 1.00 60.40 H new ATOM 0 HA ILE A 55 -1.812 -6.506 -0.529 1.00 64.24 H new ATOM 0 HB ILE A 55 0.442 -7.056 0.355 1.00 4.01 H new ATOM 0 HG12 ILE A 55 1.317 -8.282 -1.638 1.00 75.15 H new ATOM 0 HG13 ILE A 55 -0.323 -8.704 -2.086 1.00 75.15 H new ATOM 0 HG21 ILE A 55 1.184 -9.410 0.519 1.00 25.43 H new ATOM 0 HG22 ILE A 55 -0.123 -9.043 1.670 1.00 25.43 H new ATOM 0 HG23 ILE A 55 -0.477 -9.949 0.180 1.00 25.43 H new ATOM 0 HD11 ILE A 55 0.480 -6.798 -3.394 1.00 60.35 H new ATOM 0 HD12 ILE A 55 -0.880 -6.312 -2.354 1.00 60.35 H new ATOM 0 HD13 ILE A 55 0.786 -5.883 -1.898 1.00 60.35 H new ATOM 863 N THR A 56 -2.893 -8.275 -1.921 1.00 64.22 N ATOM 864 CA THR A 56 -3.618 -9.261 -2.742 1.00 11.41 C ATOM 865 C THR A 56 -2.672 -10.330 -3.295 1.00 75.44 C ATOM 866 O THR A 56 -1.480 -10.075 -3.483 1.00 75.21 O ATOM 867 CB THR A 56 -4.325 -8.578 -3.935 1.00 12.54 C ATOM 868 OG1 THR A 56 -3.373 -7.830 -4.713 1.00 22.02 O ATOM 869 CG2 THR A 56 -5.421 -7.647 -3.450 1.00 72.12 C ATOM 0 H THR A 56 -2.708 -7.393 -2.399 1.00 64.22 H new ATOM 0 HA THR A 56 -4.356 -9.728 -2.090 1.00 11.41 H new ATOM 0 HB THR A 56 -4.771 -9.356 -4.555 1.00 12.54 H new ATOM 0 HG1 THR A 56 -3.081 -7.044 -4.205 1.00 22.02 H new ATOM 0 HG21 THR A 56 -5.905 -7.177 -4.306 1.00 72.12 H new ATOM 0 HG22 THR A 56 -6.158 -8.217 -2.884 1.00 72.12 H new ATOM 0 HG23 THR A 56 -4.988 -6.877 -2.811 1.00 72.12 H new ATOM 877 N ARG A 57 -3.199 -11.526 -3.575 1.00 4.15 N ATOM 878 CA ARG A 57 -2.369 -12.616 -4.112 1.00 2.52 C ATOM 879 C ARG A 57 -1.881 -12.303 -5.542 1.00 32.13 C ATOM 880 O ARG A 57 -0.982 -12.964 -6.062 1.00 70.42 O ATOM 881 CB ARG A 57 -3.117 -13.970 -4.064 1.00 40.14 C ATOM 882 CG ARG A 57 -4.106 -14.246 -5.205 1.00 35.13 C ATOM 883 CD ARG A 57 -5.377 -13.398 -5.131 1.00 34.13 C ATOM 884 NE ARG A 57 -6.488 -14.036 -5.849 1.00 54.43 N ATOM 885 CZ ARG A 57 -7.374 -13.410 -6.584 1.00 63.32 C ATOM 886 NH1 ARG A 57 -7.298 -12.138 -6.788 1.00 13.20 N ATOM 887 NH2 ARG A 57 -8.332 -14.082 -7.130 1.00 10.14 N ATOM 0 H ARG A 57 -4.182 -11.765 -3.442 1.00 4.15 H new ATOM 0 HA ARG A 57 -1.489 -12.699 -3.473 1.00 2.52 H new ATOM 0 HB2 ARG A 57 -2.376 -14.769 -4.054 1.00 40.14 H new ATOM 0 HB3 ARG A 57 -3.660 -14.027 -3.121 1.00 40.14 H new ATOM 0 HG2 ARG A 57 -3.610 -14.060 -6.158 1.00 35.13 H new ATOM 0 HG3 ARG A 57 -4.381 -15.301 -5.189 1.00 35.13 H new ATOM 0 HD2 ARG A 57 -5.655 -13.246 -4.088 1.00 34.13 H new ATOM 0 HD3 ARG A 57 -5.185 -12.413 -5.556 1.00 34.13 H new ATOM 0 HE ARG A 57 -6.577 -15.049 -5.769 1.00 54.43 H new ATOM 0 HH11 ARG A 57 -6.537 -11.600 -6.374 1.00 13.20 H new ATOM 0 HH12 ARG A 57 -7.999 -11.671 -7.364 1.00 13.20 H new ATOM 0 HH21 ARG A 57 -8.394 -15.090 -6.987 1.00 10.14 H new ATOM 0 HH22 ARG A 57 -9.027 -13.605 -7.704 1.00 10.14 H new ATOM 901 N ASP A 58 -2.484 -11.289 -6.164 1.00 20.22 N ATOM 902 CA ASP A 58 -2.074 -10.834 -7.500 1.00 3.53 C ATOM 903 C ASP A 58 -0.992 -9.746 -7.407 1.00 42.12 C ATOM 904 O ASP A 58 -0.404 -9.354 -8.413 1.00 4.12 O ATOM 905 CB ASP A 58 -3.284 -10.261 -8.244 1.00 34.23 C ATOM 906 CG ASP A 58 -4.568 -10.965 -7.874 1.00 65.12 C ATOM 907 OD1 ASP A 58 -5.126 -10.647 -6.800 1.00 15.41 O ATOM 908 OD2 ASP A 58 -5.015 -11.845 -8.635 1.00 30.40 O ATOM 0 H ASP A 58 -3.261 -10.763 -5.765 1.00 20.22 H new ATOM 0 HA ASP A 58 -1.669 -11.691 -8.037 1.00 3.53 H new ATOM 0 HB2 ASP A 58 -3.377 -9.198 -8.019 1.00 34.23 H new ATOM 0 HB3 ASP A 58 -3.121 -10.347 -9.318 1.00 34.23 H new ATOM 913 N ARG A 59 -0.755 -9.259 -6.186 1.00 12.42 N ATOM 914 CA ARG A 59 0.220 -8.188 -5.928 1.00 55.13 C ATOM 915 C ARG A 59 -0.169 -6.854 -6.599 1.00 75.12 C ATOM 916 O ARG A 59 0.659 -5.951 -6.700 1.00 21.44 O ATOM 917 CB ARG A 59 1.629 -8.601 -6.401 1.00 65.32 C ATOM 918 CG ARG A 59 2.232 -9.799 -5.671 1.00 52.51 C ATOM 919 CD ARG A 59 2.495 -9.502 -4.199 1.00 40.04 C ATOM 920 NE ARG A 59 3.478 -10.422 -3.627 1.00 22.13 N ATOM 921 CZ ARG A 59 3.593 -10.689 -2.356 1.00 73.31 C ATOM 922 NH1 ARG A 59 2.743 -10.223 -1.499 1.00 74.14 N ATOM 923 NH2 ARG A 59 4.555 -11.448 -1.947 1.00 64.40 N ATOM 0 H ARG A 59 -1.231 -9.593 -5.348 1.00 12.42 H new ATOM 0 HA ARG A 59 0.222 -8.034 -4.849 1.00 55.13 H new ATOM 0 HB2 ARG A 59 1.586 -8.828 -7.466 1.00 65.32 H new ATOM 0 HB3 ARG A 59 2.299 -7.749 -6.284 1.00 65.32 H new ATOM 0 HG2 ARG A 59 1.556 -10.650 -5.753 1.00 52.51 H new ATOM 0 HG3 ARG A 59 3.166 -10.085 -6.155 1.00 52.51 H new ATOM 0 HD2 ARG A 59 2.851 -8.477 -4.093 1.00 40.04 H new ATOM 0 HD3 ARG A 59 1.561 -9.574 -3.641 1.00 40.04 H new ATOM 0 HE ARG A 59 4.120 -10.888 -4.269 1.00 22.13 H new ATOM 0 HH11 ARG A 59 1.969 -9.638 -1.814 1.00 74.14 H new ATOM 0 HH12 ARG A 59 2.846 -10.441 -0.508 1.00 74.14 H new ATOM 0 HH21 ARG A 59 5.220 -11.835 -2.617 1.00 64.40 H new ATOM 0 HH22 ARG A 59 4.650 -11.660 -0.954 1.00 64.40 H new ATOM 937 N LYS A 60 -1.421 -6.714 -7.038 1.00 5.05 N ATOM 938 CA LYS A 60 -1.853 -5.489 -7.737 1.00 11.42 C ATOM 939 C LYS A 60 -2.500 -4.469 -6.783 1.00 60.13 C ATOM 940 O LYS A 60 -2.286 -3.262 -6.915 1.00 40.44 O ATOM 941 CB LYS A 60 -2.814 -5.821 -8.888 1.00 2.15 C ATOM 942 CG LYS A 60 -4.090 -6.534 -8.460 1.00 32.11 C ATOM 943 CD LYS A 60 -5.032 -6.812 -9.640 1.00 44.41 C ATOM 944 CE LYS A 60 -4.468 -7.843 -10.621 1.00 51.42 C ATOM 945 NZ LYS A 60 -3.328 -7.323 -11.430 1.00 72.43 N ATOM 0 H LYS A 60 -2.149 -7.419 -6.927 1.00 5.05 H new ATOM 0 HA LYS A 60 -0.954 -5.031 -8.148 1.00 11.42 H new ATOM 0 HB2 LYS A 60 -3.083 -4.896 -9.398 1.00 2.15 H new ATOM 0 HB3 LYS A 60 -2.291 -6.444 -9.613 1.00 2.15 H new ATOM 0 HG2 LYS A 60 -3.831 -7.476 -7.976 1.00 32.11 H new ATOM 0 HG3 LYS A 60 -4.610 -5.927 -7.719 1.00 32.11 H new ATOM 0 HD2 LYS A 60 -5.990 -7.167 -9.259 1.00 44.41 H new ATOM 0 HD3 LYS A 60 -5.226 -5.880 -10.171 1.00 44.41 H new ATOM 0 HE2 LYS A 60 -4.140 -8.722 -10.066 1.00 51.42 H new ATOM 0 HE3 LYS A 60 -5.263 -8.169 -11.292 1.00 51.42 H new ATOM 0 HZ1 LYS A 60 -3.482 -7.551 -12.433 1.00 72.43 H new ATOM 0 HZ2 LYS A 60 -3.263 -6.291 -11.315 1.00 72.43 H new ATOM 0 HZ3 LYS A 60 -2.443 -7.764 -11.106 1.00 72.43 H new ATOM 959 N GLN A 61 -3.287 -4.953 -5.823 1.00 74.41 N ATOM 960 CA GLN A 61 -3.987 -4.071 -4.880 1.00 2.41 C ATOM 961 C GLN A 61 -3.441 -4.227 -3.451 1.00 2.01 C ATOM 962 O GLN A 61 -3.110 -5.335 -3.014 1.00 1.52 O ATOM 963 CB GLN A 61 -5.492 -4.374 -4.892 1.00 14.04 C ATOM 964 CG GLN A 61 -6.158 -4.180 -6.253 1.00 53.43 C ATOM 965 CD GLN A 61 -7.544 -4.806 -6.317 1.00 51.12 C ATOM 966 OE1 GLN A 61 -7.696 -5.964 -6.688 1.00 73.25 O ATOM 967 NE2 GLN A 61 -8.562 -4.051 -5.958 1.00 43.04 N ATOM 0 H GLN A 61 -3.458 -5.948 -5.675 1.00 74.41 H new ATOM 0 HA GLN A 61 -3.817 -3.043 -5.199 1.00 2.41 H new ATOM 0 HB2 GLN A 61 -5.647 -5.403 -4.567 1.00 14.04 H new ATOM 0 HB3 GLN A 61 -5.987 -3.732 -4.163 1.00 14.04 H new ATOM 0 HG2 GLN A 61 -6.234 -3.114 -6.468 1.00 53.43 H new ATOM 0 HG3 GLN A 61 -5.529 -4.618 -7.028 1.00 53.43 H new ATOM 0 HE21 GLN A 61 -8.402 -3.091 -5.654 1.00 43.04 H new ATOM 0 HE22 GLN A 61 -9.510 -4.427 -5.984 1.00 43.04 H new ATOM 976 N VAL A 62 -3.341 -3.106 -2.743 1.00 53.12 N ATOM 977 CA VAL A 62 -2.928 -3.083 -1.333 1.00 72.34 C ATOM 978 C VAL A 62 -4.010 -2.412 -0.470 1.00 65.23 C ATOM 979 O VAL A 62 -4.590 -1.409 -0.873 1.00 20.54 O ATOM 980 CB VAL A 62 -1.589 -2.312 -1.160 1.00 54.20 C ATOM 981 CG1 VAL A 62 -1.175 -2.231 0.308 1.00 2.50 C ATOM 982 CG2 VAL A 62 -0.482 -2.950 -1.996 1.00 1.21 C ATOM 0 H VAL A 62 -3.543 -2.183 -3.127 1.00 53.12 H new ATOM 0 HA VAL A 62 -2.789 -4.115 -1.010 1.00 72.34 H new ATOM 0 HB VAL A 62 -1.748 -1.295 -1.517 1.00 54.20 H new ATOM 0 HG11 VAL A 62 -0.235 -1.686 0.391 1.00 2.50 H new ATOM 0 HG12 VAL A 62 -1.947 -1.712 0.876 1.00 2.50 H new ATOM 0 HG13 VAL A 62 -1.047 -3.238 0.706 1.00 2.50 H new ATOM 0 HG21 VAL A 62 0.445 -2.393 -1.858 1.00 1.21 H new ATOM 0 HG22 VAL A 62 -0.335 -3.982 -1.679 1.00 1.21 H new ATOM 0 HG23 VAL A 62 -0.764 -2.931 -3.049 1.00 1.21 H new ATOM 992 N PHE A 63 -4.291 -2.962 0.708 1.00 34.21 N ATOM 993 CA PHE A 63 -5.291 -2.372 1.613 1.00 30.31 C ATOM 994 C PHE A 63 -4.645 -1.897 2.924 1.00 61.14 C ATOM 995 O PHE A 63 -3.764 -2.561 3.478 1.00 21.32 O ATOM 996 CB PHE A 63 -6.413 -3.380 1.900 1.00 54.34 C ATOM 997 CG PHE A 63 -7.234 -3.733 0.682 1.00 44.52 C ATOM 998 CD1 PHE A 63 -8.340 -2.969 0.326 1.00 51.51 C ATOM 999 CD2 PHE A 63 -6.898 -4.826 -0.106 1.00 33.30 C ATOM 1000 CE1 PHE A 63 -9.091 -3.292 -0.790 1.00 71.35 C ATOM 1001 CE2 PHE A 63 -7.647 -5.151 -1.221 1.00 3.05 C ATOM 1002 CZ PHE A 63 -8.746 -4.384 -1.562 1.00 74.33 C ATOM 0 H PHE A 63 -3.848 -3.809 1.063 1.00 34.21 H new ATOM 0 HA PHE A 63 -5.720 -1.501 1.118 1.00 30.31 H new ATOM 0 HB2 PHE A 63 -5.976 -4.291 2.310 1.00 54.34 H new ATOM 0 HB3 PHE A 63 -7.072 -2.970 2.666 1.00 54.34 H new ATOM 0 HD1 PHE A 63 -8.615 -2.115 0.927 1.00 51.51 H new ATOM 0 HD2 PHE A 63 -6.041 -5.429 0.156 1.00 33.30 H new ATOM 0 HE1 PHE A 63 -9.947 -2.690 -1.058 1.00 71.35 H new ATOM 0 HE2 PHE A 63 -7.374 -6.003 -1.826 1.00 3.05 H new ATOM 0 HZ PHE A 63 -9.334 -4.639 -2.431 1.00 74.33 H new ATOM 1012 N ARG A 64 -5.079 -0.739 3.411 1.00 24.33 N ATOM 1013 CA ARG A 64 -4.519 -0.147 4.633 1.00 64.51 C ATOM 1014 C ARG A 64 -5.311 -0.563 5.883 1.00 33.54 C ATOM 1015 O ARG A 64 -6.541 -0.544 5.889 1.00 25.31 O ATOM 1016 CB ARG A 64 -4.486 1.387 4.500 1.00 53.41 C ATOM 1017 CG ARG A 64 -3.916 2.106 5.719 1.00 51.02 C ATOM 1018 CD ARG A 64 -3.718 3.595 5.460 1.00 62.20 C ATOM 1019 NE ARG A 64 -4.964 4.273 5.117 1.00 24.23 N ATOM 1020 CZ ARG A 64 -5.040 5.503 4.679 1.00 21.31 C ATOM 1021 NH1 ARG A 64 -3.966 6.197 4.462 1.00 24.43 N ATOM 1022 NH2 ARG A 64 -6.193 6.022 4.438 1.00 72.01 N ATOM 0 H ARG A 64 -5.820 -0.186 2.980 1.00 24.33 H new ATOM 0 HA ARG A 64 -3.503 -0.521 4.755 1.00 64.51 H new ATOM 0 HB2 ARG A 64 -3.893 1.652 3.625 1.00 53.41 H new ATOM 0 HB3 ARG A 64 -5.499 1.747 4.320 1.00 53.41 H new ATOM 0 HG2 ARG A 64 -4.588 1.971 6.567 1.00 51.02 H new ATOM 0 HG3 ARG A 64 -2.962 1.655 5.993 1.00 51.02 H new ATOM 0 HD2 ARG A 64 -3.287 4.060 6.346 1.00 62.20 H new ATOM 0 HD3 ARG A 64 -3.001 3.727 4.650 1.00 62.20 H new ATOM 0 HE ARG A 64 -5.834 3.752 5.226 1.00 24.23 H new ATOM 0 HH11 ARG A 64 -3.049 5.784 4.633 1.00 24.43 H new ATOM 0 HH12 ARG A 64 -4.038 7.155 4.120 1.00 24.43 H new ATOM 0 HH21 ARG A 64 -7.040 5.475 4.589 1.00 72.01 H new ATOM 0 HH22 ARG A 64 -6.259 6.981 4.096 1.00 72.01 H new ATOM 1036 N ILE A 65 -4.595 -0.950 6.940 1.00 71.44 N ATOM 1037 CA ILE A 65 -5.224 -1.307 8.217 1.00 23.13 C ATOM 1038 C ILE A 65 -5.345 -0.078 9.131 1.00 65.42 C ATOM 1039 O ILE A 65 -4.428 0.740 9.209 1.00 53.32 O ATOM 1040 CB ILE A 65 -4.425 -2.423 8.950 1.00 1.13 C ATOM 1041 CG1 ILE A 65 -4.460 -3.724 8.129 1.00 41.24 C ATOM 1042 CG2 ILE A 65 -4.971 -2.658 10.363 1.00 65.13 C ATOM 1043 CD1 ILE A 65 -3.835 -4.920 8.825 1.00 22.22 C ATOM 0 H ILE A 65 -3.578 -1.025 6.939 1.00 71.44 H new ATOM 0 HA ILE A 65 -6.222 -1.684 7.991 1.00 23.13 H new ATOM 0 HB ILE A 65 -3.390 -2.096 9.046 1.00 1.13 H new ATOM 0 HG12 ILE A 65 -5.497 -3.960 7.888 1.00 41.24 H new ATOM 0 HG13 ILE A 65 -3.943 -3.557 7.184 1.00 41.24 H new ATOM 0 HG21 ILE A 65 -4.393 -3.443 10.851 1.00 65.13 H new ATOM 0 HG22 ILE A 65 -4.892 -1.737 10.941 1.00 65.13 H new ATOM 0 HG23 ILE A 65 -6.016 -2.961 10.303 1.00 65.13 H new ATOM 0 HD11 ILE A 65 -3.902 -5.794 8.177 1.00 22.22 H new ATOM 0 HD12 ILE A 65 -2.788 -4.709 9.042 1.00 22.22 H new ATOM 0 HD13 ILE A 65 -4.366 -5.117 9.756 1.00 22.22 H new ATOM 1055 N GLU A 66 -6.479 0.048 9.818 1.00 30.41 N ATOM 1056 CA GLU A 66 -6.715 1.177 10.725 1.00 33.24 C ATOM 1057 C GLU A 66 -7.431 0.711 12.003 1.00 22.31 C ATOM 1058 O GLU A 66 -8.357 -0.098 11.940 1.00 10.45 O ATOM 1059 CB GLU A 66 -7.538 2.261 10.011 1.00 71.55 C ATOM 1060 CG GLU A 66 -7.772 3.522 10.840 1.00 74.30 C ATOM 1061 CD GLU A 66 -6.477 4.167 11.321 1.00 52.11 C ATOM 1062 OE1 GLU A 66 -5.814 4.860 10.517 1.00 43.52 O ATOM 1063 OE2 GLU A 66 -6.111 3.974 12.501 1.00 14.42 O ATOM 0 H GLU A 66 -7.251 -0.617 9.766 1.00 30.41 H new ATOM 0 HA GLU A 66 -5.752 1.598 11.013 1.00 33.24 H new ATOM 0 HB2 GLU A 66 -7.029 2.537 9.087 1.00 71.55 H new ATOM 0 HB3 GLU A 66 -8.504 1.841 9.730 1.00 71.55 H new ATOM 0 HG2 GLU A 66 -8.331 4.243 10.244 1.00 74.30 H new ATOM 0 HG3 GLU A 66 -8.390 3.274 11.703 1.00 74.30 H new ATOM 1070 N ASP A 67 -6.990 1.221 13.161 1.00 73.00 N ATOM 1071 CA ASP A 67 -7.533 0.800 14.468 1.00 11.13 C ATOM 1072 C ASP A 67 -7.347 -0.721 14.675 1.00 53.03 C ATOM 1073 O ASP A 67 -8.118 -1.373 15.379 1.00 41.53 O ATOM 1074 CB ASP A 67 -9.016 1.202 14.573 1.00 35.43 C ATOM 1075 CG ASP A 67 -9.591 1.004 15.967 1.00 72.22 C ATOM 1076 OD1 ASP A 67 -9.065 1.612 16.927 1.00 62.11 O ATOM 1077 OD2 ASP A 67 -10.587 0.262 16.117 1.00 53.42 O ATOM 0 H ASP A 67 -6.257 1.928 13.223 1.00 73.00 H new ATOM 0 HA ASP A 67 -6.982 1.307 15.260 1.00 11.13 H new ATOM 0 HB2 ASP A 67 -9.124 2.248 14.287 1.00 35.43 H new ATOM 0 HB3 ASP A 67 -9.596 0.616 13.861 1.00 35.43 H new ATOM 1082 N SER A 68 -6.289 -1.265 14.065 1.00 62.53 N ATOM 1083 CA SER A 68 -5.994 -2.711 14.099 1.00 65.34 C ATOM 1084 C SER A 68 -7.068 -3.527 13.354 1.00 34.24 C ATOM 1085 O SER A 68 -7.144 -4.748 13.477 1.00 22.52 O ATOM 1086 CB SER A 68 -5.849 -3.216 15.547 1.00 42.45 C ATOM 1087 OG SER A 68 -5.458 -4.582 15.589 1.00 62.24 O ATOM 0 H SER A 68 -5.610 -0.720 13.533 1.00 62.53 H new ATOM 0 HA SER A 68 -5.043 -2.856 13.586 1.00 65.34 H new ATOM 0 HB2 SER A 68 -5.111 -2.610 16.072 1.00 42.45 H new ATOM 0 HB3 SER A 68 -6.796 -3.092 16.073 1.00 42.45 H new ATOM 0 HG SER A 68 -5.915 -5.075 14.876 1.00 62.24 H new ATOM 1093 N ILE A 69 -7.894 -2.840 12.569 1.00 21.02 N ATOM 1094 CA ILE A 69 -8.922 -3.492 11.757 1.00 61.51 C ATOM 1095 C ILE A 69 -8.500 -3.551 10.279 1.00 1.13 C ATOM 1096 O ILE A 69 -8.196 -2.519 9.676 1.00 52.41 O ATOM 1097 CB ILE A 69 -10.279 -2.747 11.865 1.00 62.32 C ATOM 1098 CG1 ILE A 69 -10.767 -2.721 13.322 1.00 41.33 C ATOM 1099 CG2 ILE A 69 -11.328 -3.388 10.956 1.00 31.45 C ATOM 1100 CD1 ILE A 69 -10.999 -4.098 13.918 1.00 33.12 C ATOM 0 H ILE A 69 -7.872 -1.824 12.477 1.00 21.02 H new ATOM 0 HA ILE A 69 -9.039 -4.505 12.141 1.00 61.51 H new ATOM 0 HB ILE A 69 -10.129 -1.719 11.534 1.00 62.32 H new ATOM 0 HG12 ILE A 69 -10.034 -2.191 13.931 1.00 41.33 H new ATOM 0 HG13 ILE A 69 -11.695 -2.152 13.374 1.00 41.33 H new ATOM 0 HG21 ILE A 69 -12.270 -2.848 11.050 1.00 31.45 H new ATOM 0 HG22 ILE A 69 -10.987 -3.346 9.921 1.00 31.45 H new ATOM 0 HG23 ILE A 69 -11.476 -4.428 11.248 1.00 31.45 H new ATOM 0 HD11 ILE A 69 -11.342 -3.996 14.948 1.00 33.12 H new ATOM 0 HD12 ILE A 69 -11.754 -4.624 13.335 1.00 33.12 H new ATOM 0 HD13 ILE A 69 -10.068 -4.664 13.900 1.00 33.12 H new ATOM 1112 N PRO A 70 -8.460 -4.756 9.671 1.00 25.03 N ATOM 1113 CA PRO A 70 -8.148 -4.901 8.242 1.00 24.11 C ATOM 1114 C PRO A 70 -9.218 -4.250 7.351 1.00 61.20 C ATOM 1115 O PRO A 70 -10.211 -4.879 6.987 1.00 53.22 O ATOM 1116 CB PRO A 70 -8.096 -6.424 8.034 1.00 31.33 C ATOM 1117 CG PRO A 70 -8.897 -6.995 9.160 1.00 31.34 C ATOM 1118 CD PRO A 70 -8.697 -6.060 10.322 1.00 12.13 C ATOM 0 HA PRO A 70 -7.218 -4.403 7.968 1.00 24.11 H new ATOM 0 HB2 PRO A 70 -8.516 -6.705 7.068 1.00 31.33 H new ATOM 0 HB3 PRO A 70 -7.070 -6.790 8.054 1.00 31.33 H new ATOM 0 HG2 PRO A 70 -9.951 -7.066 8.893 1.00 31.34 H new ATOM 0 HG3 PRO A 70 -8.562 -8.002 9.407 1.00 31.34 H new ATOM 0 HD2 PRO A 70 -9.572 -6.032 10.971 1.00 12.13 H new ATOM 0 HD3 PRO A 70 -7.851 -6.361 10.940 1.00 12.13 H new ATOM 1126 N VAL A 71 -9.022 -2.973 7.026 1.00 24.45 N ATOM 1127 CA VAL A 71 -10.009 -2.212 6.254 1.00 55.13 C ATOM 1128 C VAL A 71 -9.996 -2.600 4.765 1.00 72.42 C ATOM 1129 O VAL A 71 -9.263 -2.021 3.961 1.00 13.20 O ATOM 1130 CB VAL A 71 -9.782 -0.681 6.396 1.00 72.21 C ATOM 1131 CG1 VAL A 71 -10.884 0.105 5.690 1.00 1.12 C ATOM 1132 CG2 VAL A 71 -9.687 -0.281 7.869 1.00 61.31 C ATOM 0 H VAL A 71 -8.190 -2.442 7.284 1.00 24.45 H new ATOM 0 HA VAL A 71 -10.986 -2.464 6.667 1.00 55.13 H new ATOM 0 HB VAL A 71 -8.835 -0.436 5.915 1.00 72.21 H new ATOM 0 HG11 VAL A 71 -10.700 1.173 5.805 1.00 1.12 H new ATOM 0 HG12 VAL A 71 -10.891 -0.150 4.630 1.00 1.12 H new ATOM 0 HG13 VAL A 71 -11.849 -0.147 6.130 1.00 1.12 H new ATOM 0 HG21 VAL A 71 -9.528 0.795 7.944 1.00 61.31 H new ATOM 0 HG22 VAL A 71 -10.613 -0.548 8.379 1.00 61.31 H new ATOM 0 HG23 VAL A 71 -8.852 -0.805 8.335 1.00 61.31 H new ATOM 1142 N LEU A 72 -10.805 -3.595 4.408 1.00 72.33 N ATOM 1143 CA LEU A 72 -10.930 -4.030 3.013 1.00 14.43 C ATOM 1144 C LEU A 72 -11.938 -3.156 2.251 1.00 51.34 C ATOM 1145 O LEU A 72 -13.006 -3.615 1.850 1.00 50.30 O ATOM 1146 CB LEU A 72 -11.340 -5.511 2.955 1.00 54.04 C ATOM 1147 CG LEU A 72 -10.394 -6.477 3.687 1.00 14.21 C ATOM 1148 CD1 LEU A 72 -10.868 -7.923 3.543 1.00 22.33 C ATOM 1149 CD2 LEU A 72 -8.963 -6.318 3.177 1.00 20.23 C ATOM 0 H LEU A 72 -11.386 -4.118 5.064 1.00 72.33 H new ATOM 0 HA LEU A 72 -9.960 -3.917 2.529 1.00 14.43 H new ATOM 0 HB2 LEU A 72 -12.339 -5.613 3.380 1.00 54.04 H new ATOM 0 HB3 LEU A 72 -11.406 -5.813 1.910 1.00 54.04 H new ATOM 0 HG LEU A 72 -10.407 -6.226 4.748 1.00 14.21 H new ATOM 0 HD11 LEU A 72 -10.181 -8.585 4.070 1.00 22.33 H new ATOM 0 HD12 LEU A 72 -11.866 -8.023 3.969 1.00 22.33 H new ATOM 0 HD13 LEU A 72 -10.895 -8.194 2.487 1.00 22.33 H new ATOM 0 HD21 LEU A 72 -8.309 -7.010 3.707 1.00 20.23 H new ATOM 0 HD22 LEU A 72 -8.931 -6.534 2.109 1.00 20.23 H new ATOM 0 HD23 LEU A 72 -8.626 -5.296 3.350 1.00 20.23 H new ATOM 1161 N LEU A 73 -11.590 -1.881 2.070 1.00 71.03 N ATOM 1162 CA LEU A 73 -12.456 -0.925 1.373 1.00 40.20 C ATOM 1163 C LEU A 73 -11.708 -0.239 0.214 1.00 10.40 C ATOM 1164 O LEU A 73 -10.534 0.110 0.345 1.00 3.21 O ATOM 1165 CB LEU A 73 -12.983 0.127 2.364 1.00 64.42 C ATOM 1166 CG LEU A 73 -13.899 -0.420 3.475 1.00 4.43 C ATOM 1167 CD1 LEU A 73 -14.312 0.693 4.435 1.00 15.14 C ATOM 1168 CD2 LEU A 73 -15.130 -1.101 2.874 1.00 61.14 C ATOM 0 H LEU A 73 -10.710 -1.484 2.398 1.00 71.03 H new ATOM 0 HA LEU A 73 -13.299 -1.473 0.951 1.00 40.20 H new ATOM 0 HB2 LEU A 73 -12.131 0.624 2.829 1.00 64.42 H new ATOM 0 HB3 LEU A 73 -13.530 0.887 1.806 1.00 64.42 H new ATOM 0 HG LEU A 73 -13.339 -1.165 4.041 1.00 4.43 H new ATOM 0 HD11 LEU A 73 -14.958 0.283 5.211 1.00 15.14 H new ATOM 0 HD12 LEU A 73 -13.423 1.126 4.894 1.00 15.14 H new ATOM 0 HD13 LEU A 73 -14.850 1.466 3.886 1.00 15.14 H new ATOM 0 HD21 LEU A 73 -15.764 -1.480 3.676 1.00 61.14 H new ATOM 0 HD22 LEU A 73 -15.690 -0.380 2.279 1.00 61.14 H new ATOM 0 HD23 LEU A 73 -14.814 -1.929 2.239 1.00 61.14 H new ATOM 1180 N PRO A 74 -12.386 -0.023 -0.934 1.00 35.32 N ATOM 1181 CA PRO A 74 -11.760 0.556 -2.142 1.00 33.44 C ATOM 1182 C PRO A 74 -11.090 1.923 -1.901 1.00 73.30 C ATOM 1183 O PRO A 74 -10.108 2.268 -2.564 1.00 63.33 O ATOM 1184 CB PRO A 74 -12.932 0.693 -3.131 1.00 60.12 C ATOM 1185 CG PRO A 74 -14.168 0.586 -2.296 1.00 73.23 C ATOM 1186 CD PRO A 74 -13.813 -0.321 -1.154 1.00 33.13 C ATOM 0 HA PRO A 74 -10.948 -0.077 -2.500 1.00 33.44 H new ATOM 0 HB2 PRO A 74 -12.894 1.647 -3.656 1.00 60.12 H new ATOM 0 HB3 PRO A 74 -12.900 -0.090 -3.889 1.00 60.12 H new ATOM 0 HG2 PRO A 74 -14.482 1.565 -1.935 1.00 73.23 H new ATOM 0 HG3 PRO A 74 -14.997 0.179 -2.875 1.00 73.23 H new ATOM 0 HD2 PRO A 74 -14.412 -0.110 -0.268 1.00 33.13 H new ATOM 0 HD3 PRO A 74 -13.974 -1.370 -1.405 1.00 33.13 H new ATOM 1194 N GLU A 75 -11.627 2.700 -0.959 1.00 43.53 N ATOM 1195 CA GLU A 75 -11.054 4.010 -0.612 1.00 1.01 C ATOM 1196 C GLU A 75 -9.626 3.871 -0.050 1.00 74.10 C ATOM 1197 O GLU A 75 -8.785 4.755 -0.229 1.00 50.43 O ATOM 1198 CB GLU A 75 -11.953 4.725 0.410 1.00 45.40 C ATOM 1199 CG GLU A 75 -12.060 4.002 1.751 1.00 31.35 C ATOM 1200 CD GLU A 75 -13.096 4.619 2.676 1.00 14.11 C ATOM 1201 OE1 GLU A 75 -12.751 5.548 3.437 1.00 31.32 O ATOM 1202 OE2 GLU A 75 -14.264 4.177 2.645 1.00 51.41 O ATOM 0 H GLU A 75 -12.457 2.449 -0.421 1.00 43.53 H new ATOM 0 HA GLU A 75 -10.999 4.603 -1.525 1.00 1.01 H new ATOM 0 HB2 GLU A 75 -11.566 5.730 0.580 1.00 45.40 H new ATOM 0 HB3 GLU A 75 -12.951 4.835 -0.013 1.00 45.40 H new ATOM 0 HG2 GLU A 75 -12.314 2.957 1.575 1.00 31.35 H new ATOM 0 HG3 GLU A 75 -11.088 4.015 2.243 1.00 31.35 H new ATOM 1209 N GLU A 76 -9.361 2.748 0.620 1.00 32.14 N ATOM 1210 CA GLU A 76 -8.049 2.479 1.224 1.00 21.22 C ATOM 1211 C GLU A 76 -7.172 1.623 0.293 1.00 2.30 C ATOM 1212 O GLU A 76 -6.082 1.196 0.675 1.00 64.14 O ATOM 1213 CB GLU A 76 -8.234 1.752 2.566 1.00 5.25 C ATOM 1214 CG GLU A 76 -9.141 2.479 3.555 1.00 51.24 C ATOM 1215 CD GLU A 76 -8.586 3.822 4.007 1.00 4.10 C ATOM 1216 OE1 GLU A 76 -7.737 3.840 4.914 1.00 12.44 O ATOM 1217 OE2 GLU A 76 -9.013 4.869 3.471 1.00 43.23 O ATOM 0 H GLU A 76 -10.043 2.002 0.760 1.00 32.14 H new ATOM 0 HA GLU A 76 -7.548 3.434 1.386 1.00 21.22 H new ATOM 0 HB2 GLU A 76 -8.645 0.761 2.375 1.00 5.25 H new ATOM 0 HB3 GLU A 76 -7.256 1.608 3.026 1.00 5.25 H new ATOM 0 HG2 GLU A 76 -10.117 2.633 3.096 1.00 51.24 H new ATOM 0 HG3 GLU A 76 -9.296 1.845 4.428 1.00 51.24 H new ATOM 1224 N ALA A 77 -7.657 1.379 -0.926 1.00 70.35 N ATOM 1225 CA ALA A 77 -6.958 0.513 -1.883 1.00 22.32 C ATOM 1226 C ALA A 77 -5.848 1.259 -2.643 1.00 0.15 C ATOM 1227 O ALA A 77 -6.112 2.179 -3.420 1.00 54.12 O ATOM 1228 CB ALA A 77 -7.954 -0.100 -2.863 1.00 14.21 C ATOM 0 H ALA A 77 -8.532 1.769 -1.276 1.00 70.35 H new ATOM 0 HA ALA A 77 -6.477 -0.281 -1.312 1.00 22.32 H new ATOM 0 HB1 ALA A 77 -7.424 -0.740 -3.568 1.00 14.21 H new ATOM 0 HB2 ALA A 77 -8.686 -0.692 -2.315 1.00 14.21 H new ATOM 0 HB3 ALA A 77 -8.464 0.694 -3.408 1.00 14.21 H new ATOM 1234 N ILE A 78 -4.606 0.853 -2.401 1.00 5.10 N ATOM 1235 CA ILE A 78 -3.445 1.393 -3.110 1.00 34.53 C ATOM 1236 C ILE A 78 -3.110 0.543 -4.349 1.00 52.32 C ATOM 1237 O ILE A 78 -3.056 -0.687 -4.273 1.00 43.30 O ATOM 1238 CB ILE A 78 -2.203 1.428 -2.183 1.00 75.04 C ATOM 1239 CG1 ILE A 78 -2.496 2.228 -0.898 1.00 33.04 C ATOM 1240 CG2 ILE A 78 -0.988 2.004 -2.916 1.00 35.23 C ATOM 1241 CD1 ILE A 78 -2.862 3.679 -1.142 1.00 41.25 C ATOM 0 H ILE A 78 -4.373 0.141 -1.709 1.00 5.10 H new ATOM 0 HA ILE A 78 -3.699 2.406 -3.423 1.00 34.53 H new ATOM 0 HB ILE A 78 -1.970 0.402 -1.897 1.00 75.04 H new ATOM 0 HG12 ILE A 78 -3.311 1.744 -0.360 1.00 33.04 H new ATOM 0 HG13 ILE A 78 -1.620 2.189 -0.251 1.00 33.04 H new ATOM 0 HG21 ILE A 78 -0.130 2.018 -2.244 1.00 35.23 H new ATOM 0 HG22 ILE A 78 -0.759 1.385 -3.784 1.00 35.23 H new ATOM 0 HG23 ILE A 78 -1.209 3.020 -3.243 1.00 35.23 H new ATOM 0 HD11 ILE A 78 -3.053 4.171 -0.188 1.00 41.25 H new ATOM 0 HD12 ILE A 78 -2.039 4.181 -1.651 1.00 41.25 H new ATOM 0 HD13 ILE A 78 -3.757 3.729 -1.762 1.00 41.25 H new ATOM 1253 N ALA A 79 -2.885 1.202 -5.483 1.00 22.04 N ATOM 1254 CA ALA A 79 -2.487 0.511 -6.714 1.00 31.32 C ATOM 1255 C ALA A 79 -0.958 0.364 -6.796 1.00 72.44 C ATOM 1256 O ALA A 79 -0.234 1.358 -6.880 1.00 4.35 O ATOM 1257 CB ALA A 79 -3.020 1.256 -7.932 1.00 54.22 C ATOM 0 H ALA A 79 -2.971 2.214 -5.578 1.00 22.04 H new ATOM 0 HA ALA A 79 -2.919 -0.490 -6.699 1.00 31.32 H new ATOM 0 HB1 ALA A 79 -2.718 0.733 -8.839 1.00 54.22 H new ATOM 0 HB2 ALA A 79 -4.108 1.300 -7.884 1.00 54.22 H new ATOM 0 HB3 ALA A 79 -2.616 2.268 -7.945 1.00 54.22 H new ATOM 1263 N THR A 80 -0.471 -0.877 -6.789 1.00 45.31 N ATOM 1264 CA THR A 80 0.980 -1.147 -6.780 1.00 64.31 C ATOM 1265 C THR A 80 1.696 -0.600 -8.021 1.00 21.41 C ATOM 1266 O THR A 80 2.908 -0.400 -8.003 1.00 61.04 O ATOM 1267 CB THR A 80 1.291 -2.655 -6.662 1.00 43.31 C ATOM 1268 OG1 THR A 80 0.731 -3.367 -7.774 1.00 34.00 O ATOM 1269 CG2 THR A 80 0.740 -3.221 -5.354 1.00 71.20 C ATOM 0 H THR A 80 -1.053 -1.715 -6.789 1.00 45.31 H new ATOM 0 HA THR A 80 1.355 -0.626 -5.899 1.00 64.31 H new ATOM 0 HB THR A 80 2.374 -2.780 -6.667 1.00 43.31 H new ATOM 0 HG1 THR A 80 0.775 -4.331 -7.601 1.00 34.00 H new ATOM 0 HG21 THR A 80 0.971 -4.285 -5.292 1.00 71.20 H new ATOM 0 HG22 THR A 80 1.196 -2.701 -4.512 1.00 71.20 H new ATOM 0 HG23 THR A 80 -0.341 -3.082 -5.324 1.00 71.20 H new ATOM 1277 N ILE A 81 0.944 -0.352 -9.092 1.00 1.53 N ATOM 1278 CA ILE A 81 1.505 0.230 -10.321 1.00 43.24 C ATOM 1279 C ILE A 81 2.105 1.628 -10.057 1.00 63.52 C ATOM 1280 O ILE A 81 2.984 2.091 -10.783 1.00 22.15 O ATOM 1281 CB ILE A 81 0.429 0.318 -11.440 1.00 31.32 C ATOM 1282 CG1 ILE A 81 1.045 0.815 -12.763 1.00 51.41 C ATOM 1283 CG2 ILE A 81 -0.727 1.221 -11.010 1.00 44.14 C ATOM 1284 CD1 ILE A 81 2.104 -0.109 -13.335 1.00 60.41 C ATOM 0 H ILE A 81 -0.057 -0.543 -9.138 1.00 1.53 H new ATOM 0 HA ILE A 81 2.304 -0.431 -10.656 1.00 43.24 H new ATOM 0 HB ILE A 81 0.036 -0.685 -11.607 1.00 31.32 H new ATOM 0 HG12 ILE A 81 0.250 0.939 -13.498 1.00 51.41 H new ATOM 0 HG13 ILE A 81 1.485 1.799 -12.600 1.00 51.41 H new ATOM 0 HG21 ILE A 81 -1.468 1.268 -11.808 1.00 44.14 H new ATOM 0 HG22 ILE A 81 -1.189 0.817 -10.109 1.00 44.14 H new ATOM 0 HG23 ILE A 81 -0.349 2.223 -10.806 1.00 44.14 H new ATOM 0 HD11 ILE A 81 2.489 0.310 -14.265 1.00 60.41 H new ATOM 0 HD12 ILE A 81 2.920 -0.214 -12.620 1.00 60.41 H new ATOM 0 HD13 ILE A 81 1.665 -1.087 -13.532 1.00 60.41 H new ATOM 1296 N GLN A 82 1.622 2.286 -9.003 1.00 22.23 N ATOM 1297 CA GLN A 82 2.121 3.609 -8.608 1.00 73.34 C ATOM 1298 C GLN A 82 3.438 3.499 -7.819 1.00 51.32 C ATOM 1299 O GLN A 82 4.155 4.486 -7.642 1.00 70.53 O ATOM 1300 CB GLN A 82 1.064 4.326 -7.752 1.00 43.23 C ATOM 1301 CG GLN A 82 -0.312 4.425 -8.417 1.00 53.31 C ATOM 1302 CD GLN A 82 -0.352 5.377 -9.605 1.00 40.44 C ATOM 1303 OE1 GLN A 82 0.641 5.592 -10.296 1.00 32.01 O ATOM 1304 NE2 GLN A 82 -1.509 5.944 -9.862 1.00 63.51 N ATOM 0 H GLN A 82 0.881 1.924 -8.402 1.00 22.23 H new ATOM 0 HA GLN A 82 2.315 4.182 -9.514 1.00 73.34 H new ATOM 0 HB2 GLN A 82 0.961 3.799 -6.803 1.00 43.23 H new ATOM 0 HB3 GLN A 82 1.418 5.331 -7.522 1.00 43.23 H new ATOM 0 HG2 GLN A 82 -0.618 3.432 -8.748 1.00 53.31 H new ATOM 0 HG3 GLN A 82 -1.041 4.753 -7.676 1.00 53.31 H new ATOM 0 HE21 GLN A 82 -2.316 5.746 -9.271 1.00 63.51 H new ATOM 0 HE22 GLN A 82 -1.600 6.582 -10.653 1.00 63.51 H new ATOM 1313 N ILE A 83 3.751 2.289 -7.350 1.00 23.53 N ATOM 1314 CA ILE A 83 4.936 2.057 -6.517 1.00 2.40 C ATOM 1315 C ILE A 83 6.181 1.765 -7.371 1.00 73.03 C ATOM 1316 O ILE A 83 6.453 0.617 -7.730 1.00 34.24 O ATOM 1317 CB ILE A 83 4.705 0.883 -5.526 1.00 13.44 C ATOM 1318 CG1 ILE A 83 3.393 1.083 -4.743 1.00 10.04 C ATOM 1319 CG2 ILE A 83 5.890 0.733 -4.567 1.00 44.13 C ATOM 1320 CD1 ILE A 83 3.331 2.371 -3.948 1.00 52.55 C ATOM 0 H ILE A 83 3.199 1.451 -7.533 1.00 23.53 H new ATOM 0 HA ILE A 83 5.107 2.973 -5.952 1.00 2.40 H new ATOM 0 HB ILE A 83 4.622 -0.036 -6.105 1.00 13.44 H new ATOM 0 HG12 ILE A 83 2.559 1.062 -5.444 1.00 10.04 H new ATOM 0 HG13 ILE A 83 3.258 0.243 -4.062 1.00 10.04 H new ATOM 0 HG21 ILE A 83 5.703 -0.096 -3.884 1.00 44.13 H new ATOM 0 HG22 ILE A 83 6.797 0.535 -5.138 1.00 44.13 H new ATOM 0 HG23 ILE A 83 6.014 1.653 -3.996 1.00 44.13 H new ATOM 0 HD11 ILE A 83 2.375 2.432 -3.428 1.00 52.55 H new ATOM 0 HD12 ILE A 83 4.142 2.389 -3.220 1.00 52.55 H new ATOM 0 HD13 ILE A 83 3.431 3.221 -4.623 1.00 52.55 H new ATOM 1332 N ALA A 84 6.950 2.812 -7.675 1.00 1.30 N ATOM 1333 CA ALA A 84 8.151 2.686 -8.519 1.00 51.15 C ATOM 1334 C ALA A 84 9.287 1.900 -7.830 1.00 0.24 C ATOM 1335 O ALA A 84 10.401 1.819 -8.352 1.00 72.43 O ATOM 1336 CB ALA A 84 8.645 4.073 -8.928 1.00 1.10 C ATOM 0 H ALA A 84 6.766 3.761 -7.351 1.00 1.30 H new ATOM 0 HA ALA A 84 7.864 2.117 -9.403 1.00 51.15 H new ATOM 0 HB1 ALA A 84 9.533 3.974 -9.552 1.00 1.10 H new ATOM 0 HB2 ALA A 84 7.864 4.587 -9.488 1.00 1.10 H new ATOM 0 HB3 ALA A 84 8.891 4.649 -8.036 1.00 1.10 H new ATOM 1342 N ASN A 85 9.005 1.328 -6.660 1.00 22.12 N ATOM 1343 CA ASN A 85 9.999 0.542 -5.914 1.00 31.21 C ATOM 1344 C ASN A 85 9.501 -0.888 -5.639 1.00 53.21 C ATOM 1345 O ASN A 85 10.089 -1.615 -4.838 1.00 64.01 O ATOM 1346 CB ASN A 85 10.340 1.248 -4.595 1.00 10.31 C ATOM 1347 CG ASN A 85 10.855 2.658 -4.822 1.00 35.11 C ATOM 1348 OD1 ASN A 85 12.048 2.873 -5.015 1.00 73.43 O ATOM 1349 ND2 ASN A 85 9.967 3.632 -4.801 1.00 64.53 N ATOM 0 H ASN A 85 8.095 1.392 -6.204 1.00 22.12 H new ATOM 0 HA ASN A 85 10.897 0.466 -6.527 1.00 31.21 H new ATOM 0 HB2 ASN A 85 9.453 1.283 -3.963 1.00 10.31 H new ATOM 0 HB3 ASN A 85 11.092 0.670 -4.058 1.00 10.31 H new ATOM 0 HD21 ASN A 85 10.264 4.597 -4.948 1.00 64.53 H new ATOM 0 HD22 ASN A 85 8.982 3.421 -4.638 1.00 64.53 H new ATOM 1356 N PHE A 86 8.414 -1.283 -6.307 1.00 41.11 N ATOM 1357 CA PHE A 86 7.860 -2.631 -6.158 1.00 54.34 C ATOM 1358 C PHE A 86 8.819 -3.687 -6.747 1.00 55.22 C ATOM 1359 O PHE A 86 9.324 -3.524 -7.862 1.00 51.02 O ATOM 1360 CB PHE A 86 6.484 -2.711 -6.843 1.00 53.12 C ATOM 1361 CG PHE A 86 5.581 -3.762 -6.249 1.00 61.34 C ATOM 1362 CD1 PHE A 86 4.945 -3.525 -5.042 1.00 42.41 C ATOM 1363 CD2 PHE A 86 5.374 -4.979 -6.884 1.00 62.32 C ATOM 1364 CE1 PHE A 86 4.118 -4.476 -4.478 1.00 44.43 C ATOM 1365 CE2 PHE A 86 4.545 -5.936 -6.325 1.00 31.45 C ATOM 1366 CZ PHE A 86 3.917 -5.683 -5.119 1.00 22.24 C ATOM 0 H PHE A 86 7.900 -0.688 -6.957 1.00 41.11 H new ATOM 0 HA PHE A 86 7.739 -2.841 -5.095 1.00 54.34 H new ATOM 0 HB2 PHE A 86 5.994 -1.740 -6.773 1.00 53.12 H new ATOM 0 HB3 PHE A 86 6.626 -2.921 -7.903 1.00 53.12 H new ATOM 0 HD1 PHE A 86 5.098 -2.584 -4.535 1.00 42.41 H new ATOM 0 HD2 PHE A 86 5.865 -5.181 -7.824 1.00 62.32 H new ATOM 0 HE1 PHE A 86 3.629 -4.276 -3.536 1.00 44.43 H new ATOM 0 HE2 PHE A 86 4.389 -6.878 -6.829 1.00 31.45 H new ATOM 0 HZ PHE A 86 3.270 -6.428 -4.679 1.00 22.24 H new