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 Single : A 19 SER OG : rot 180:sc= -0.178 USER MOD Single : A 23 SER OG : rot -40:sc= 1.14 USER MOD Single : A 24 LYS NZ :NH3+ -136:sc= 0.166 (180deg=-1.53!) USER MOD Single : A 30 ASN : amide:sc= 0.799 K(o=0.8,f=-4.6!) USER MOD Single : A 31 LYS NZ :NH3+ -171:sc= -0.0115 (180deg=-0.123) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -26:sc= 0.628 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 44 SER OG : rot 91:sc= 0.421 USER MOD Single : A 46 GLN : amide:sc= -0.977 K(o=-0.98,f=-12!) USER MOD Single : A 47 ASN : amide:sc= -0.209 X(o=-0.21,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 7:sc= 0.512 USER MOD Single : A 60 LYS NZ :NH3+ -164:sc= -0.0863 (180deg=-0.358) USER MOD Single : A 61 GLN : amide:sc= -0.035 K(o=-0.035,f=-1.1) USER MOD Single : A 68 SER OG : rot -42:sc= 0.645 USER MOD Single : A 80 THR OG1 : rot -86:sc= 0.864 USER MOD Single : A 82 GLN : amide:sc= -0.838 K(o=-0.84,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 289 N LEU A 18 -8.054 -11.419 1.655 1.00 63.23 N ATOM 290 CA LEU A 18 -6.742 -10.774 1.519 1.00 5.43 C ATOM 291 C LEU A 18 -5.723 -11.373 2.502 1.00 62.21 C ATOM 292 O LEU A 18 -6.082 -11.835 3.591 1.00 73.51 O ATOM 293 CB LEU A 18 -6.860 -9.264 1.763 1.00 32.31 C ATOM 294 CG LEU A 18 -7.829 -8.511 0.834 1.00 13.32 C ATOM 295 CD1 LEU A 18 -7.833 -7.022 1.153 1.00 32.52 C ATOM 296 CD2 LEU A 18 -7.473 -8.741 -0.632 1.00 24.11 C ATOM 0 HA LEU A 18 -6.391 -10.951 0.502 1.00 5.43 H new ATOM 0 HB2 LEU A 18 -7.177 -9.105 2.794 1.00 32.31 H new ATOM 0 HB3 LEU A 18 -5.870 -8.820 1.662 1.00 32.31 H new ATOM 0 HG LEU A 18 -8.831 -8.904 1.006 1.00 13.32 H new ATOM 0 HD11 LEU A 18 -8.524 -6.509 0.485 1.00 32.52 H new ATOM 0 HD12 LEU A 18 -8.148 -6.872 2.186 1.00 32.52 H new ATOM 0 HD13 LEU A 18 -6.830 -6.618 1.017 1.00 32.52 H new ATOM 0 HD21 LEU A 18 -8.174 -8.198 -1.266 1.00 24.11 H new ATOM 0 HD22 LEU A 18 -6.461 -8.384 -0.821 1.00 24.11 H new ATOM 0 HD23 LEU A 18 -7.530 -9.806 -0.858 1.00 24.11 H new ATOM 308 N SER A 19 -4.449 -11.348 2.115 1.00 62.42 N ATOM 309 CA SER A 19 -3.365 -11.881 2.954 1.00 53.00 C ATOM 310 C SER A 19 -2.480 -10.750 3.498 1.00 32.42 C ATOM 311 O SER A 19 -2.684 -9.581 3.171 1.00 4.53 O ATOM 312 CB SER A 19 -2.511 -12.874 2.152 1.00 34.10 C ATOM 313 OG SER A 19 -1.505 -13.465 2.961 1.00 21.03 O ATOM 0 H SER A 19 -4.136 -10.964 1.223 1.00 62.42 H new ATOM 0 HA SER A 19 -3.818 -12.399 3.800 1.00 53.00 H new ATOM 0 HB2 SER A 19 -3.150 -13.653 1.737 1.00 34.10 H new ATOM 0 HB3 SER A 19 -2.047 -12.360 1.310 1.00 34.10 H new ATOM 0 HG SER A 19 -0.980 -14.093 2.423 1.00 21.03 H new ATOM 319 N LEU A 20 -1.504 -11.099 4.332 1.00 11.42 N ATOM 320 CA LEU A 20 -0.595 -10.108 4.923 1.00 74.04 C ATOM 321 C LEU A 20 0.545 -9.766 3.942 1.00 42.24 C ATOM 322 O LEU A 20 1.116 -10.652 3.303 1.00 14.41 O ATOM 323 CB LEU A 20 -0.028 -10.645 6.256 1.00 13.21 C ATOM 324 CG LEU A 20 0.324 -9.586 7.326 1.00 75.12 C ATOM 325 CD1 LEU A 20 1.465 -8.682 6.871 1.00 4.10 C ATOM 326 CD2 LEU A 20 -0.912 -8.760 7.689 1.00 45.14 C ATOM 0 H LEU A 20 -1.318 -12.061 4.617 1.00 11.42 H new ATOM 0 HA LEU A 20 -1.152 -9.193 5.124 1.00 74.04 H new ATOM 0 HB2 LEU A 20 -0.755 -11.335 6.684 1.00 13.21 H new ATOM 0 HB3 LEU A 20 0.870 -11.223 6.038 1.00 13.21 H new ATOM 0 HG LEU A 20 0.664 -10.115 8.216 1.00 75.12 H new ATOM 0 HD11 LEU A 20 1.683 -7.951 7.650 1.00 4.10 H new ATOM 0 HD12 LEU A 20 2.353 -9.285 6.680 1.00 4.10 H new ATOM 0 HD13 LEU A 20 1.176 -8.163 5.957 1.00 4.10 H new ATOM 0 HD21 LEU A 20 -0.646 -8.020 8.443 1.00 45.14 H new ATOM 0 HD22 LEU A 20 -1.285 -8.253 6.799 1.00 45.14 H new ATOM 0 HD23 LEU A 20 -1.686 -9.418 8.084 1.00 45.14 H new ATOM 338 N LEU A 21 0.863 -8.476 3.820 1.00 74.42 N ATOM 339 CA LEU A 21 1.891 -8.003 2.881 1.00 0.42 C ATOM 340 C LEU A 21 3.313 -8.459 3.278 1.00 33.32 C ATOM 341 O LEU A 21 3.705 -8.368 4.444 1.00 55.44 O ATOM 342 CB LEU A 21 1.831 -6.466 2.789 1.00 64.20 C ATOM 343 CG LEU A 21 2.828 -5.816 1.813 1.00 4.24 C ATOM 344 CD1 LEU A 21 2.645 -6.358 0.395 1.00 53.45 C ATOM 345 CD2 LEU A 21 2.676 -4.295 1.831 1.00 41.24 C ATOM 0 H LEU A 21 0.422 -7.733 4.362 1.00 74.42 H new ATOM 0 HA LEU A 21 1.679 -8.446 1.908 1.00 0.42 H new ATOM 0 HB2 LEU A 21 0.822 -6.177 2.495 1.00 64.20 H new ATOM 0 HB3 LEU A 21 2.003 -6.054 3.783 1.00 64.20 H new ATOM 0 HG LEU A 21 3.836 -6.070 2.140 1.00 4.24 H new ATOM 0 HD11 LEU A 21 3.363 -5.881 -0.272 1.00 53.45 H new ATOM 0 HD12 LEU A 21 2.809 -7.436 0.393 1.00 53.45 H new ATOM 0 HD13 LEU A 21 1.633 -6.145 0.052 1.00 53.45 H new ATOM 0 HD21 LEU A 21 3.388 -3.850 1.136 1.00 41.24 H new ATOM 0 HD22 LEU A 21 1.662 -4.027 1.533 1.00 41.24 H new ATOM 0 HD23 LEU A 21 2.869 -3.922 2.837 1.00 41.24 H new ATOM 357 N GLU A 22 4.068 -8.959 2.293 1.00 65.21 N ATOM 358 CA GLU A 22 5.487 -9.326 2.472 1.00 54.21 C ATOM 359 C GLU A 22 6.293 -8.176 3.103 1.00 55.40 C ATOM 360 O GLU A 22 6.075 -7.009 2.780 1.00 34.42 O ATOM 361 CB GLU A 22 6.093 -9.705 1.105 1.00 25.23 C ATOM 362 CG GLU A 22 7.626 -9.781 1.061 1.00 75.41 C ATOM 363 CD GLU A 22 8.216 -10.899 1.913 1.00 44.11 C ATOM 364 OE1 GLU A 22 8.185 -12.066 1.476 1.00 2.53 O ATOM 365 OE2 GLU A 22 8.734 -10.611 3.011 1.00 24.24 O ATOM 0 H GLU A 22 3.718 -9.122 1.349 1.00 65.21 H new ATOM 0 HA GLU A 22 5.538 -10.178 3.151 1.00 54.21 H new ATOM 0 HB2 GLU A 22 5.690 -10.672 0.804 1.00 25.23 H new ATOM 0 HB3 GLU A 22 5.761 -8.977 0.365 1.00 25.23 H new ATOM 0 HG2 GLU A 22 7.943 -9.920 0.027 1.00 75.41 H new ATOM 0 HG3 GLU A 22 8.037 -8.828 1.395 1.00 75.41 H new ATOM 372 N SER A 23 7.236 -8.511 3.985 1.00 54.04 N ATOM 373 CA SER A 23 8.069 -7.502 4.663 1.00 62.54 C ATOM 374 C SER A 23 8.814 -6.616 3.652 1.00 23.52 C ATOM 375 O SER A 23 8.847 -5.389 3.790 1.00 53.30 O ATOM 376 CB SER A 23 9.083 -8.177 5.598 1.00 51.34 C ATOM 377 OG SER A 23 9.980 -9.006 4.870 1.00 11.20 O ATOM 0 H SER A 23 7.446 -9.473 4.250 1.00 54.04 H new ATOM 0 HA SER A 23 7.401 -6.871 5.249 1.00 62.54 H new ATOM 0 HB2 SER A 23 9.645 -7.416 6.140 1.00 51.34 H new ATOM 0 HB3 SER A 23 8.555 -8.773 6.342 1.00 51.34 H new ATOM 0 HG SER A 23 9.490 -9.479 4.166 1.00 11.20 H new ATOM 383 N LYS A 24 9.399 -7.241 2.629 1.00 42.20 N ATOM 384 CA LYS A 24 10.098 -6.501 1.567 1.00 62.04 C ATOM 385 C LYS A 24 9.137 -5.569 0.808 1.00 11.40 C ATOM 386 O LYS A 24 9.517 -4.479 0.378 1.00 51.20 O ATOM 387 CB LYS A 24 10.787 -7.475 0.596 1.00 20.53 C ATOM 388 CG LYS A 24 11.491 -6.799 -0.581 1.00 14.31 C ATOM 389 CD LYS A 24 12.512 -5.751 -0.132 1.00 24.22 C ATOM 390 CE LYS A 24 13.630 -6.359 0.707 1.00 73.44 C ATOM 391 NZ LYS A 24 14.563 -5.319 1.214 1.00 54.22 N ATOM 0 H LYS A 24 9.405 -8.254 2.510 1.00 42.20 H new ATOM 0 HA LYS A 24 10.860 -5.880 2.038 1.00 62.04 H new ATOM 0 HB2 LYS A 24 11.517 -8.066 1.150 1.00 20.53 H new ATOM 0 HB3 LYS A 24 10.042 -8.170 0.208 1.00 20.53 H new ATOM 0 HG2 LYS A 24 11.994 -7.556 -1.183 1.00 14.31 H new ATOM 0 HG3 LYS A 24 10.747 -6.325 -1.221 1.00 14.31 H new ATOM 0 HD2 LYS A 24 12.941 -5.265 -1.008 1.00 24.22 H new ATOM 0 HD3 LYS A 24 12.006 -4.977 0.446 1.00 24.22 H new ATOM 0 HE2 LYS A 24 13.200 -6.903 1.548 1.00 73.44 H new ATOM 0 HE3 LYS A 24 14.182 -7.083 0.108 1.00 73.44 H new ATOM 0 HZ1 LYS A 24 15.544 -5.644 1.095 1.00 54.22 H new ATOM 0 HZ2 LYS A 24 14.424 -4.437 0.680 1.00 54.22 H new ATOM 0 HZ3 LYS A 24 14.376 -5.146 2.222 1.00 54.22 H new ATOM 405 N GLY A 25 7.892 -6.004 0.642 1.00 73.21 N ATOM 406 CA GLY A 25 6.877 -5.139 0.057 1.00 73.31 C ATOM 407 C GLY A 25 6.508 -3.989 0.987 1.00 32.15 C ATOM 408 O GLY A 25 6.470 -2.830 0.577 1.00 1.04 O ATOM 0 H GLY A 25 7.566 -6.935 0.900 1.00 73.21 H new ATOM 0 HA2 GLY A 25 7.242 -4.739 -0.889 1.00 73.31 H new ATOM 0 HA3 GLY A 25 5.986 -5.725 -0.168 1.00 73.31 H new ATOM 412 N LEU A 26 6.276 -4.318 2.255 1.00 12.40 N ATOM 413 CA LEU A 26 5.878 -3.339 3.272 1.00 22.10 C ATOM 414 C LEU A 26 6.855 -2.155 3.330 1.00 44.52 C ATOM 415 O LEU A 26 6.439 -0.992 3.320 1.00 70.42 O ATOM 416 CB LEU A 26 5.800 -4.026 4.644 1.00 51.52 C ATOM 417 CG LEU A 26 5.305 -3.147 5.806 1.00 12.04 C ATOM 418 CD1 LEU A 26 3.875 -2.671 5.563 1.00 34.34 C ATOM 419 CD2 LEU A 26 5.402 -3.906 7.125 1.00 45.34 C ATOM 0 H LEU A 26 6.358 -5.271 2.610 1.00 12.40 H new ATOM 0 HA LEU A 26 4.898 -2.946 3.001 1.00 22.10 H new ATOM 0 HB2 LEU A 26 5.140 -4.889 4.560 1.00 51.52 H new ATOM 0 HB3 LEU A 26 6.790 -4.405 4.896 1.00 51.52 H new ATOM 0 HG LEU A 26 5.946 -2.267 5.863 1.00 12.04 H new ATOM 0 HD11 LEU A 26 3.550 -2.052 6.399 1.00 34.34 H new ATOM 0 HD12 LEU A 26 3.837 -2.087 4.643 1.00 34.34 H new ATOM 0 HD13 LEU A 26 3.215 -3.534 5.472 1.00 34.34 H new ATOM 0 HD21 LEU A 26 5.048 -3.271 7.937 1.00 45.34 H new ATOM 0 HD22 LEU A 26 4.788 -4.805 7.073 1.00 45.34 H new ATOM 0 HD23 LEU A 26 6.439 -4.185 7.309 1.00 45.34 H new ATOM 431 N GLU A 27 8.156 -2.449 3.387 1.00 5.13 N ATOM 432 CA GLU A 27 9.172 -1.393 3.370 1.00 62.35 C ATOM 433 C GLU A 27 9.129 -0.616 2.043 1.00 74.34 C ATOM 434 O GLU A 27 9.342 0.591 2.023 1.00 22.00 O ATOM 435 CB GLU A 27 10.584 -1.966 3.610 1.00 31.54 C ATOM 436 CG GLU A 27 11.090 -2.887 2.507 1.00 2.03 C ATOM 437 CD GLU A 27 12.501 -3.399 2.757 1.00 24.11 C ATOM 438 OE1 GLU A 27 13.473 -2.713 2.375 1.00 42.04 O ATOM 439 OE2 GLU A 27 12.653 -4.499 3.324 1.00 23.55 O ATOM 0 H GLU A 27 8.528 -3.397 3.445 1.00 5.13 H new ATOM 0 HA GLU A 27 8.945 -0.705 4.185 1.00 62.35 H new ATOM 0 HB2 GLU A 27 11.284 -1.138 3.723 1.00 31.54 H new ATOM 0 HB3 GLU A 27 10.584 -2.514 4.552 1.00 31.54 H new ATOM 0 HG2 GLU A 27 10.413 -3.736 2.412 1.00 2.03 H new ATOM 0 HG3 GLU A 27 11.067 -2.353 1.557 1.00 2.03 H new ATOM 446 N ALA A 28 8.812 -1.307 0.943 1.00 12.13 N ATOM 447 CA ALA A 28 8.738 -0.668 -0.378 1.00 61.02 C ATOM 448 C ALA A 28 7.583 0.344 -0.434 1.00 74.34 C ATOM 449 O ALA A 28 7.706 1.416 -1.035 1.00 54.31 O ATOM 450 CB ALA A 28 8.584 -1.717 -1.473 1.00 21.01 C ATOM 0 H ALA A 28 8.603 -2.305 0.939 1.00 12.13 H new ATOM 0 HA ALA A 28 9.670 -0.128 -0.546 1.00 61.02 H new ATOM 0 HB1 ALA A 28 8.531 -1.224 -2.444 1.00 21.01 H new ATOM 0 HB2 ALA A 28 9.441 -2.391 -1.454 1.00 21.01 H new ATOM 0 HB3 ALA A 28 7.670 -2.287 -1.305 1.00 21.01 H new ATOM 456 N LEU A 29 6.462 -0.005 0.198 1.00 74.13 N ATOM 457 CA LEU A 29 5.325 0.911 0.330 1.00 71.14 C ATOM 458 C LEU A 29 5.723 2.171 1.113 1.00 51.54 C ATOM 459 O LEU A 29 5.535 3.290 0.634 1.00 64.12 O ATOM 460 CB LEU A 29 4.141 0.203 1.020 1.00 42.33 C ATOM 461 CG LEU A 29 3.191 -0.582 0.096 1.00 74.41 C ATOM 462 CD1 LEU A 29 2.467 0.363 -0.860 1.00 43.33 C ATOM 463 CD2 LEU A 29 3.939 -1.665 -0.680 1.00 25.01 C ATOM 0 H LEU A 29 6.315 -0.918 0.628 1.00 74.13 H new ATOM 0 HA LEU A 29 5.017 1.215 -0.670 1.00 71.14 H new ATOM 0 HB2 LEU A 29 4.540 -0.484 1.766 1.00 42.33 H new ATOM 0 HB3 LEU A 29 3.558 0.952 1.556 1.00 42.33 H new ATOM 0 HG LEU A 29 2.448 -1.075 0.723 1.00 74.41 H new ATOM 0 HD11 LEU A 29 1.801 -0.211 -1.504 1.00 43.33 H new ATOM 0 HD12 LEU A 29 1.885 1.085 -0.287 1.00 43.33 H new ATOM 0 HD13 LEU A 29 3.198 0.891 -1.473 1.00 43.33 H new ATOM 0 HD21 LEU A 29 3.240 -2.201 -1.323 1.00 25.01 H new ATOM 0 HD22 LEU A 29 4.715 -1.204 -1.292 1.00 25.01 H new ATOM 0 HD23 LEU A 29 4.397 -2.364 0.020 1.00 25.01 H new ATOM 475 N ASN A 30 6.299 1.986 2.305 1.00 51.22 N ATOM 476 CA ASN A 30 6.723 3.117 3.147 1.00 62.44 C ATOM 477 C ASN A 30 7.783 3.987 2.445 1.00 71.43 C ATOM 478 O ASN A 30 7.744 5.213 2.541 1.00 51.14 O ATOM 479 CB ASN A 30 7.243 2.622 4.503 1.00 0.42 C ATOM 480 CG ASN A 30 6.122 2.107 5.389 1.00 4.25 C ATOM 481 OD1 ASN A 30 5.500 2.865 6.125 1.00 14.24 O ATOM 482 ND2 ASN A 30 5.854 0.819 5.335 1.00 11.14 N ATOM 0 H ASN A 30 6.483 1.068 2.710 1.00 51.22 H new ATOM 0 HA ASN A 30 5.846 3.741 3.318 1.00 62.44 H new ATOM 0 HB2 ASN A 30 7.973 1.828 4.344 1.00 0.42 H new ATOM 0 HB3 ASN A 30 7.762 3.435 5.011 1.00 0.42 H new ATOM 0 HD21 ASN A 30 5.112 0.428 5.915 1.00 11.14 H new ATOM 0 HD22 ASN A 30 6.388 0.213 4.713 1.00 11.14 H new ATOM 489 N LYS A 31 8.716 3.352 1.731 1.00 71.34 N ATOM 490 CA LYS A 31 9.682 4.084 0.896 1.00 11.22 C ATOM 491 C LYS A 31 8.948 4.976 -0.117 1.00 51.43 C ATOM 492 O LYS A 31 9.247 6.164 -0.261 1.00 54.11 O ATOM 493 CB LYS A 31 10.594 3.105 0.140 1.00 20.50 C ATOM 494 CG LYS A 31 11.538 2.306 1.031 1.00 32.20 C ATOM 495 CD LYS A 31 12.251 1.207 0.244 1.00 13.00 C ATOM 496 CE LYS A 31 13.170 0.373 1.129 1.00 73.43 C ATOM 497 NZ LYS A 31 14.255 1.190 1.735 1.00 24.24 N ATOM 0 H LYS A 31 8.826 2.338 1.712 1.00 71.34 H new ATOM 0 HA LYS A 31 10.290 4.707 1.552 1.00 11.22 H new ATOM 0 HB2 LYS A 31 9.972 2.410 -0.424 1.00 20.50 H new ATOM 0 HB3 LYS A 31 11.185 3.665 -0.585 1.00 20.50 H new ATOM 0 HG2 LYS A 31 12.276 2.975 1.474 1.00 32.20 H new ATOM 0 HG3 LYS A 31 10.976 1.861 1.852 1.00 32.20 H new ATOM 0 HD2 LYS A 31 11.511 0.558 -0.223 1.00 13.00 H new ATOM 0 HD3 LYS A 31 12.833 1.657 -0.560 1.00 13.00 H new ATOM 0 HE2 LYS A 31 12.584 -0.095 1.920 1.00 73.43 H new ATOM 0 HE3 LYS A 31 13.609 -0.432 0.539 1.00 73.43 H new ATOM 0 HZ1 LYS A 31 14.941 0.564 2.202 1.00 24.24 H new ATOM 0 HZ2 LYS A 31 14.735 1.736 0.991 1.00 24.24 H new ATOM 0 HZ3 LYS A 31 13.848 1.842 2.436 1.00 24.24 H new ATOM 511 N ALA A 32 7.976 4.388 -0.809 1.00 11.20 N ATOM 512 CA ALA A 32 7.168 5.114 -1.789 1.00 30.31 C ATOM 513 C ALA A 32 6.308 6.202 -1.120 1.00 33.04 C ATOM 514 O ALA A 32 6.027 7.241 -1.727 1.00 35.23 O ATOM 515 CB ALA A 32 6.298 4.131 -2.564 1.00 13.52 C ATOM 0 H ALA A 32 7.726 3.404 -0.709 1.00 11.20 H new ATOM 0 HA ALA A 32 7.840 5.620 -2.483 1.00 30.31 H new ATOM 0 HB1 ALA A 32 5.697 4.674 -3.293 1.00 13.52 H new ATOM 0 HB2 ALA A 32 6.933 3.412 -3.081 1.00 13.52 H new ATOM 0 HB3 ALA A 32 5.641 3.604 -1.873 1.00 13.52 H new ATOM 521 N ILE A 33 5.893 5.960 0.126 1.00 64.31 N ATOM 522 CA ILE A 33 5.144 6.954 0.909 1.00 23.42 C ATOM 523 C ILE A 33 6.018 8.181 1.211 1.00 0.35 C ATOM 524 O ILE A 33 5.606 9.319 0.983 1.00 22.40 O ATOM 525 CB ILE A 33 4.608 6.355 2.243 1.00 5.21 C ATOM 526 CG1 ILE A 33 3.541 5.282 1.958 1.00 32.30 C ATOM 527 CG2 ILE A 33 4.046 7.451 3.152 1.00 42.41 C ATOM 528 CD1 ILE A 33 2.997 4.609 3.203 1.00 32.14 C ATOM 0 H ILE A 33 6.062 5.083 0.618 1.00 64.31 H new ATOM 0 HA ILE A 33 4.290 7.259 0.304 1.00 23.42 H new ATOM 0 HB ILE A 33 5.442 5.885 2.764 1.00 5.21 H new ATOM 0 HG12 ILE A 33 2.715 5.741 1.415 1.00 32.30 H new ATOM 0 HG13 ILE A 33 3.970 4.522 1.304 1.00 32.30 H new ATOM 0 HG21 ILE A 33 3.679 7.004 4.076 1.00 42.41 H new ATOM 0 HG22 ILE A 33 4.832 8.170 3.384 1.00 42.41 H new ATOM 0 HG23 ILE A 33 3.227 7.960 2.644 1.00 42.41 H new ATOM 0 HD11 ILE A 33 2.251 3.867 2.919 1.00 32.14 H new ATOM 0 HD12 ILE A 33 3.811 4.119 3.737 1.00 32.14 H new ATOM 0 HD13 ILE A 33 2.537 5.357 3.849 1.00 32.14 H new ATOM 540 N VAL A 34 7.233 7.941 1.706 1.00 44.32 N ATOM 541 CA VAL A 34 8.201 9.019 1.944 1.00 32.21 C ATOM 542 C VAL A 34 8.519 9.757 0.635 1.00 61.04 C ATOM 543 O VAL A 34 8.700 10.974 0.614 1.00 24.14 O ATOM 544 CB VAL A 34 9.511 8.474 2.568 1.00 64.40 C ATOM 545 CG1 VAL A 34 10.543 9.587 2.760 1.00 50.33 C ATOM 546 CG2 VAL A 34 9.225 7.766 3.892 1.00 53.44 C ATOM 0 H VAL A 34 7.573 7.011 1.951 1.00 44.32 H new ATOM 0 HA VAL A 34 7.748 9.716 2.649 1.00 32.21 H new ATOM 0 HB VAL A 34 9.933 7.748 1.873 1.00 64.40 H new ATOM 0 HG11 VAL A 34 11.450 9.171 3.199 1.00 50.33 H new ATOM 0 HG12 VAL A 34 10.780 10.034 1.795 1.00 50.33 H new ATOM 0 HG13 VAL A 34 10.136 10.350 3.423 1.00 50.33 H new ATOM 0 HG21 VAL A 34 10.158 7.391 4.313 1.00 53.44 H new ATOM 0 HG22 VAL A 34 8.769 8.469 4.589 1.00 53.44 H new ATOM 0 HG23 VAL A 34 8.544 6.933 3.719 1.00 53.44 H new ATOM 556 N SER A 35 8.572 8.999 -0.459 1.00 23.24 N ATOM 557 CA SER A 35 8.774 9.570 -1.797 1.00 50.31 C ATOM 558 C SER A 35 7.527 10.329 -2.280 1.00 2.22 C ATOM 559 O SER A 35 7.609 11.179 -3.163 1.00 71.41 O ATOM 560 CB SER A 35 9.118 8.461 -2.801 1.00 74.10 C ATOM 561 OG SER A 35 9.413 8.997 -4.082 1.00 33.11 O ATOM 0 H SER A 35 8.478 7.983 -0.448 1.00 23.24 H new ATOM 0 HA SER A 35 9.602 10.276 -1.732 1.00 50.31 H new ATOM 0 HB2 SER A 35 9.973 7.891 -2.437 1.00 74.10 H new ATOM 0 HB3 SER A 35 8.282 7.766 -2.879 1.00 74.10 H new ATOM 0 HG SER A 35 9.630 8.268 -4.700 1.00 33.11 H new ATOM 567 N GLY A 36 6.372 10.006 -1.698 1.00 51.02 N ATOM 568 CA GLY A 36 5.126 10.687 -2.045 1.00 54.34 C ATOM 569 C GLY A 36 4.526 10.230 -3.373 1.00 2.25 C ATOM 570 O GLY A 36 3.722 10.944 -3.973 1.00 12.00 O ATOM 0 H GLY A 36 6.274 9.281 -0.988 1.00 51.02 H new ATOM 0 HA2 GLY A 36 4.398 10.520 -1.251 1.00 54.34 H new ATOM 0 HA3 GLY A 36 5.309 11.761 -2.089 1.00 54.34 H new ATOM 574 N THR A 37 4.904 9.037 -3.832 1.00 53.42 N ATOM 575 CA THR A 37 4.390 8.502 -5.107 1.00 10.32 C ATOM 576 C THR A 37 3.195 7.561 -4.892 1.00 24.44 C ATOM 577 O THR A 37 2.596 7.069 -5.850 1.00 72.15 O ATOM 578 CB THR A 37 5.487 7.752 -5.902 1.00 11.51 C ATOM 579 OG1 THR A 37 4.976 7.316 -7.177 1.00 3.35 O ATOM 580 CG2 THR A 37 6.019 6.549 -5.130 1.00 34.13 C ATOM 0 H THR A 37 5.559 8.422 -3.349 1.00 53.42 H new ATOM 0 HA THR A 37 4.062 9.366 -5.685 1.00 10.32 H new ATOM 0 HB THR A 37 6.309 8.451 -6.057 1.00 11.51 H new ATOM 0 HG1 THR A 37 4.005 7.198 -7.117 1.00 3.35 H new ATOM 0 HG21 THR A 37 6.787 6.049 -5.720 1.00 34.13 H new ATOM 0 HG22 THR A 37 6.448 6.884 -4.185 1.00 34.13 H new ATOM 0 HG23 THR A 37 5.203 5.854 -4.932 1.00 34.13 H new ATOM 588 N VAL A 38 2.851 7.313 -3.632 1.00 41.32 N ATOM 589 CA VAL A 38 1.698 6.471 -3.297 1.00 71.43 C ATOM 590 C VAL A 38 0.386 7.265 -3.399 1.00 15.11 C ATOM 591 O VAL A 38 0.013 7.997 -2.480 1.00 64.41 O ATOM 592 CB VAL A 38 1.828 5.865 -1.875 1.00 73.42 C ATOM 593 CG1 VAL A 38 0.613 5.004 -1.529 1.00 50.41 C ATOM 594 CG2 VAL A 38 3.111 5.051 -1.752 1.00 73.22 C ATOM 0 H VAL A 38 3.352 7.681 -2.823 1.00 41.32 H new ATOM 0 HA VAL A 38 1.679 5.656 -4.021 1.00 71.43 H new ATOM 0 HB VAL A 38 1.871 6.690 -1.163 1.00 73.42 H new ATOM 0 HG11 VAL A 38 0.732 4.593 -0.527 1.00 50.41 H new ATOM 0 HG12 VAL A 38 -0.289 5.616 -1.565 1.00 50.41 H new ATOM 0 HG13 VAL A 38 0.528 4.189 -2.248 1.00 50.41 H new ATOM 0 HG21 VAL A 38 3.183 4.635 -0.747 1.00 73.22 H new ATOM 0 HG22 VAL A 38 3.099 4.240 -2.481 1.00 73.22 H new ATOM 0 HG23 VAL A 38 3.970 5.695 -1.940 1.00 73.22 H new ATOM 604 N GLN A 39 -0.297 7.132 -4.533 1.00 12.30 N ATOM 605 CA GLN A 39 -1.570 7.819 -4.759 1.00 75.23 C ATOM 606 C GLN A 39 -2.759 6.924 -4.384 1.00 75.02 C ATOM 607 O GLN A 39 -2.858 5.781 -4.833 1.00 12.24 O ATOM 608 CB GLN A 39 -1.699 8.245 -6.231 1.00 12.30 C ATOM 609 CG GLN A 39 -0.545 9.105 -6.742 1.00 63.44 C ATOM 610 CD GLN A 39 -0.745 9.575 -8.176 1.00 45.44 C ATOM 611 OE1 GLN A 39 -1.869 9.798 -8.622 1.00 61.53 O ATOM 612 NE2 GLN A 39 0.337 9.721 -8.913 1.00 72.50 N ATOM 0 H GLN A 39 0.010 6.552 -5.314 1.00 12.30 H new ATOM 0 HA GLN A 39 -1.582 8.703 -4.122 1.00 75.23 H new ATOM 0 HB2 GLN A 39 -1.772 7.351 -6.850 1.00 12.30 H new ATOM 0 HB3 GLN A 39 -2.631 8.797 -6.357 1.00 12.30 H new ATOM 0 HG2 GLN A 39 -0.431 9.973 -6.093 1.00 63.44 H new ATOM 0 HG3 GLN A 39 0.382 8.535 -6.678 1.00 63.44 H new ATOM 0 HE21 GLN A 39 1.256 9.528 -8.514 1.00 72.50 H new ATOM 0 HE22 GLN A 39 0.256 10.027 -9.883 1.00 72.50 H new ATOM 621 N ARG A 40 -3.655 7.447 -3.554 1.00 74.12 N ATOM 622 CA ARG A 40 -4.909 6.759 -3.234 1.00 62.43 C ATOM 623 C ARG A 40 -5.826 6.707 -4.467 1.00 2.02 C ATOM 624 O ARG A 40 -5.695 7.528 -5.376 1.00 73.13 O ATOM 625 CB ARG A 40 -5.638 7.483 -2.091 1.00 51.12 C ATOM 626 CG ARG A 40 -4.998 7.301 -0.718 1.00 1.11 C ATOM 627 CD ARG A 40 -5.748 8.082 0.362 1.00 70.42 C ATOM 628 NE ARG A 40 -5.454 7.597 1.708 1.00 52.40 N ATOM 629 CZ ARG A 40 -5.714 8.255 2.803 1.00 62.44 C ATOM 630 NH1 ARG A 40 -6.186 9.457 2.766 1.00 64.41 N ATOM 631 NH2 ARG A 40 -5.490 7.700 3.945 1.00 22.14 N ATOM 0 H ARG A 40 -3.539 8.347 -3.088 1.00 74.12 H new ATOM 0 HA ARG A 40 -4.668 5.742 -2.924 1.00 62.43 H new ATOM 0 HB2 ARG A 40 -5.680 8.548 -2.320 1.00 51.12 H new ATOM 0 HB3 ARG A 40 -6.667 7.125 -2.049 1.00 51.12 H new ATOM 0 HG2 ARG A 40 -4.986 6.242 -0.459 1.00 1.11 H new ATOM 0 HG3 ARG A 40 -3.960 7.633 -0.753 1.00 1.11 H new ATOM 0 HD2 ARG A 40 -5.483 9.137 0.293 1.00 70.42 H new ATOM 0 HD3 ARG A 40 -6.820 8.010 0.179 1.00 70.42 H new ATOM 0 HE ARG A 40 -5.015 6.681 1.797 1.00 52.40 H new ATOM 0 HH11 ARG A 40 -6.362 9.908 1.868 1.00 64.41 H new ATOM 0 HH12 ARG A 40 -6.383 9.955 3.634 1.00 64.41 H new ATOM 0 HH21 ARG A 40 -5.112 6.753 3.987 1.00 22.14 H new ATOM 0 HH22 ARG A 40 -5.690 8.208 4.807 1.00 22.14 H new ATOM 645 N ALA A 41 -6.762 5.755 -4.492 1.00 13.41 N ATOM 646 CA ALA A 41 -7.761 5.688 -5.572 1.00 53.11 C ATOM 647 C ALA A 41 -8.560 7.002 -5.674 1.00 44.51 C ATOM 648 O ALA A 41 -9.133 7.328 -6.718 1.00 72.14 O ATOM 649 CB ALA A 41 -8.697 4.503 -5.353 1.00 33.14 C ATOM 0 H ALA A 41 -6.853 5.024 -3.786 1.00 13.41 H new ATOM 0 HA ALA A 41 -7.233 5.547 -6.515 1.00 53.11 H new ATOM 0 HB1 ALA A 41 -9.431 4.465 -6.158 1.00 33.14 H new ATOM 0 HB2 ALA A 41 -8.119 3.579 -5.345 1.00 33.14 H new ATOM 0 HB3 ALA A 41 -9.211 4.617 -4.399 1.00 33.14 H new ATOM 655 N ASP A 42 -8.591 7.744 -4.571 1.00 43.11 N ATOM 656 CA ASP A 42 -9.224 9.065 -4.515 1.00 54.43 C ATOM 657 C ASP A 42 -8.439 10.105 -5.341 1.00 62.12 C ATOM 658 O ASP A 42 -9.012 11.075 -5.844 1.00 21.53 O ATOM 659 CB ASP A 42 -9.313 9.510 -3.048 1.00 1.45 C ATOM 660 CG ASP A 42 -9.910 10.895 -2.892 1.00 63.24 C ATOM 661 OD1 ASP A 42 -11.149 11.023 -2.953 1.00 20.14 O ATOM 662 OD2 ASP A 42 -9.141 11.864 -2.719 1.00 70.42 O ATOM 0 H ASP A 42 -8.178 7.449 -3.687 1.00 43.11 H new ATOM 0 HA ASP A 42 -10.222 8.994 -4.947 1.00 54.43 H new ATOM 0 HB2 ASP A 42 -9.917 8.794 -2.491 1.00 1.45 H new ATOM 0 HB3 ASP A 42 -8.316 9.497 -2.607 1.00 1.45 H new ATOM 667 N GLY A 43 -7.129 9.895 -5.473 1.00 63.11 N ATOM 668 CA GLY A 43 -6.267 10.846 -6.178 1.00 30.22 C ATOM 669 C GLY A 43 -5.290 11.560 -5.246 1.00 74.42 C ATOM 670 O GLY A 43 -4.244 12.051 -5.676 1.00 21.01 O ATOM 0 H GLY A 43 -6.642 9.079 -5.103 1.00 63.11 H new ATOM 0 HA2 GLY A 43 -5.707 10.319 -6.950 1.00 30.22 H new ATOM 0 HA3 GLY A 43 -6.887 11.586 -6.684 1.00 30.22 H new ATOM 674 N SER A 44 -5.640 11.621 -3.964 1.00 55.13 N ATOM 675 CA SER A 44 -4.791 12.252 -2.943 1.00 10.10 C ATOM 676 C SER A 44 -3.608 11.350 -2.551 1.00 70.04 C ATOM 677 O SER A 44 -3.666 10.130 -2.703 1.00 75.34 O ATOM 678 CB SER A 44 -5.620 12.582 -1.695 1.00 34.10 C ATOM 679 OG SER A 44 -6.684 13.479 -1.998 1.00 51.33 O ATOM 0 H SER A 44 -6.513 11.239 -3.600 1.00 55.13 H new ATOM 0 HA SER A 44 -4.391 13.171 -3.372 1.00 10.10 H new ATOM 0 HB2 SER A 44 -6.026 11.663 -1.273 1.00 34.10 H new ATOM 0 HB3 SER A 44 -4.976 13.024 -0.935 1.00 34.10 H new ATOM 0 HG SER A 44 -7.486 12.967 -2.235 1.00 51.33 H new ATOM 685 N ILE A 45 -2.543 11.959 -2.032 1.00 54.30 N ATOM 686 CA ILE A 45 -1.325 11.225 -1.660 1.00 43.23 C ATOM 687 C ILE A 45 -1.431 10.591 -0.258 1.00 11.32 C ATOM 688 O ILE A 45 -1.923 11.208 0.686 1.00 42.13 O ATOM 689 CB ILE A 45 -0.083 12.157 -1.702 1.00 15.21 C ATOM 690 CG1 ILE A 45 0.106 12.746 -3.115 1.00 2.00 C ATOM 691 CG2 ILE A 45 1.180 11.415 -1.256 1.00 63.20 C ATOM 692 CD1 ILE A 45 0.367 11.711 -4.192 1.00 75.21 C ATOM 0 H ILE A 45 -2.495 12.963 -1.857 1.00 54.30 H new ATOM 0 HA ILE A 45 -1.211 10.425 -2.391 1.00 43.23 H new ATOM 0 HB ILE A 45 -0.255 12.977 -1.005 1.00 15.21 H new ATOM 0 HG12 ILE A 45 -0.785 13.314 -3.382 1.00 2.00 H new ATOM 0 HG13 ILE A 45 0.938 13.450 -3.094 1.00 2.00 H new ATOM 0 HG21 ILE A 45 2.033 12.092 -1.296 1.00 63.20 H new ATOM 0 HG22 ILE A 45 1.049 11.055 -0.235 1.00 63.20 H new ATOM 0 HG23 ILE A 45 1.358 10.568 -1.919 1.00 63.20 H new ATOM 0 HD11 ILE A 45 0.488 12.209 -5.154 1.00 75.21 H new ATOM 0 HD12 ILE A 45 1.276 11.158 -3.953 1.00 75.21 H new ATOM 0 HD13 ILE A 45 -0.475 11.020 -4.245 1.00 75.21 H new ATOM 704 N GLN A 46 -0.960 9.350 -0.144 1.00 71.24 N ATOM 705 CA GLN A 46 -0.905 8.645 1.141 1.00 21.35 C ATOM 706 C GLN A 46 0.242 9.190 2.008 1.00 32.34 C ATOM 707 O GLN A 46 1.413 8.876 1.783 1.00 23.13 O ATOM 708 CB GLN A 46 -0.719 7.138 0.895 1.00 33.21 C ATOM 709 CG GLN A 46 -0.785 6.264 2.149 1.00 73.31 C ATOM 710 CD GLN A 46 -2.177 6.187 2.763 1.00 52.32 C ATOM 711 OE1 GLN A 46 -2.949 7.135 2.711 1.00 60.24 O ATOM 712 NE2 GLN A 46 -2.512 5.049 3.333 1.00 32.31 N ATOM 0 H GLN A 46 -0.608 8.806 -0.932 1.00 71.24 H new ATOM 0 HA GLN A 46 -1.842 8.808 1.674 1.00 21.35 H new ATOM 0 HB2 GLN A 46 -1.485 6.802 0.196 1.00 33.21 H new ATOM 0 HB3 GLN A 46 0.245 6.981 0.411 1.00 33.21 H new ATOM 0 HG2 GLN A 46 -0.451 5.257 1.899 1.00 73.31 H new ATOM 0 HG3 GLN A 46 -0.090 6.655 2.892 1.00 73.31 H new ATOM 0 HE21 GLN A 46 -1.846 4.277 3.360 1.00 32.31 H new ATOM 0 HE22 GLN A 46 -3.438 4.939 3.747 1.00 32.31 H new ATOM 721 N ASN A 47 -0.098 10.022 2.992 1.00 24.31 N ATOM 722 CA ASN A 47 0.904 10.650 3.862 1.00 34.33 C ATOM 723 C ASN A 47 1.177 9.811 5.123 1.00 1.43 C ATOM 724 O ASN A 47 2.267 9.878 5.695 1.00 3.30 O ATOM 725 CB ASN A 47 0.454 12.064 4.252 1.00 23.11 C ATOM 726 CG ASN A 47 0.412 13.006 3.062 1.00 15.11 C ATOM 727 OD1 ASN A 47 1.398 13.664 2.739 1.00 70.42 O ATOM 728 ND2 ASN A 47 -0.720 13.085 2.396 1.00 75.12 N ATOM 0 H ASN A 47 -1.061 10.279 3.209 1.00 24.31 H new ATOM 0 HA ASN A 47 1.836 10.710 3.300 1.00 34.33 H new ATOM 0 HB2 ASN A 47 -0.535 12.015 4.708 1.00 23.11 H new ATOM 0 HB3 ASN A 47 1.133 12.464 5.005 1.00 23.11 H new ATOM 0 HD21 ASN A 47 -0.795 13.704 1.589 1.00 75.12 H new ATOM 0 HD22 ASN A 47 -1.523 12.527 2.687 1.00 75.12 H new ATOM 735 N GLN A 48 0.185 9.033 5.562 1.00 74.03 N ATOM 736 CA GLN A 48 0.342 8.178 6.746 1.00 21.23 C ATOM 737 C GLN A 48 1.145 6.905 6.426 1.00 54.31 C ATOM 738 O GLN A 48 0.681 6.039 5.684 1.00 62.11 O ATOM 739 CB GLN A 48 -1.030 7.782 7.324 1.00 22.24 C ATOM 740 CG GLN A 48 -1.840 8.954 7.872 1.00 43.52 C ATOM 741 CD GLN A 48 -3.135 8.511 8.540 1.00 32.43 C ATOM 742 OE1 GLN A 48 -4.183 8.412 7.906 1.00 22.13 O ATOM 743 NE2 GLN A 48 -3.075 8.233 9.829 1.00 3.13 N ATOM 0 H GLN A 48 -0.732 8.976 5.119 1.00 74.03 H new ATOM 0 HA GLN A 48 0.893 8.759 7.486 1.00 21.23 H new ATOM 0 HB2 GLN A 48 -1.610 7.286 6.546 1.00 22.24 H new ATOM 0 HB3 GLN A 48 -0.879 7.054 8.122 1.00 22.24 H new ATOM 0 HG2 GLN A 48 -1.234 9.504 8.592 1.00 43.52 H new ATOM 0 HG3 GLN A 48 -2.072 9.642 7.059 1.00 43.52 H new ATOM 0 HE21 GLN A 48 -2.191 8.324 10.330 1.00 3.13 H new ATOM 0 HE22 GLN A 48 -3.913 7.927 10.324 1.00 3.13 H new ATOM 752 N SER A 49 2.351 6.797 6.991 1.00 52.41 N ATOM 753 CA SER A 49 3.161 5.575 6.856 1.00 72.34 C ATOM 754 C SER A 49 2.554 4.444 7.700 1.00 71.53 C ATOM 755 O SER A 49 1.981 4.694 8.763 1.00 64.44 O ATOM 756 CB SER A 49 4.615 5.828 7.288 1.00 4.01 C ATOM 757 OG SER A 49 4.699 6.187 8.660 1.00 41.40 O ATOM 0 H SER A 49 2.789 7.534 7.544 1.00 52.41 H new ATOM 0 HA SER A 49 3.161 5.281 5.806 1.00 72.34 H new ATOM 0 HB2 SER A 49 5.209 4.932 7.109 1.00 4.01 H new ATOM 0 HB3 SER A 49 5.044 6.622 6.677 1.00 4.01 H new ATOM 0 HG SER A 49 5.637 6.339 8.902 1.00 41.40 H new ATOM 763 N LEU A 50 2.695 3.201 7.250 1.00 31.15 N ATOM 764 CA LEU A 50 2.018 2.074 7.908 1.00 2.54 C ATOM 765 C LEU A 50 2.971 0.929 8.291 1.00 14.24 C ATOM 766 O LEU A 50 3.872 0.556 7.535 1.00 12.12 O ATOM 767 CB LEU A 50 0.853 1.566 7.027 1.00 41.31 C ATOM 768 CG LEU A 50 1.110 1.527 5.504 1.00 4.52 C ATOM 769 CD1 LEU A 50 2.106 0.434 5.122 1.00 61.34 C ATOM 770 CD2 LEU A 50 -0.205 1.346 4.743 1.00 50.23 C ATOM 0 H LEU A 50 3.263 2.944 6.443 1.00 31.15 H new ATOM 0 HA LEU A 50 1.618 2.449 8.850 1.00 2.54 H new ATOM 0 HB2 LEU A 50 0.590 0.560 7.355 1.00 41.31 H new ATOM 0 HB3 LEU A 50 -0.015 2.199 7.211 1.00 41.31 H new ATOM 0 HG LEU A 50 1.552 2.483 5.222 1.00 4.52 H new ATOM 0 HD11 LEU A 50 2.258 0.441 4.043 1.00 61.34 H new ATOM 0 HD12 LEU A 50 3.056 0.616 5.624 1.00 61.34 H new ATOM 0 HD13 LEU A 50 1.715 -0.537 5.427 1.00 61.34 H new ATOM 0 HD21 LEU A 50 -0.005 1.321 3.672 1.00 50.23 H new ATOM 0 HD22 LEU A 50 -0.675 0.411 5.046 1.00 50.23 H new ATOM 0 HD23 LEU A 50 -0.873 2.178 4.968 1.00 50.23 H new ATOM 782 N HIS A 51 2.766 0.391 9.492 1.00 73.11 N ATOM 783 CA HIS A 51 3.507 -0.779 9.971 1.00 35.12 C ATOM 784 C HIS A 51 2.816 -2.076 9.525 1.00 11.22 C ATOM 785 O HIS A 51 3.428 -3.145 9.512 1.00 43.11 O ATOM 786 CB HIS A 51 3.611 -0.766 11.504 1.00 13.32 C ATOM 787 CG HIS A 51 4.308 0.434 12.073 1.00 71.52 C ATOM 788 ND1 HIS A 51 3.642 1.471 12.693 1.00 34.23 N ATOM 789 CD2 HIS A 51 5.624 0.745 12.145 1.00 32.13 C ATOM 790 CE1 HIS A 51 4.512 2.359 13.120 1.00 12.45 C ATOM 791 NE2 HIS A 51 5.720 1.945 12.801 1.00 33.44 N ATOM 0 H HIS A 51 2.084 0.751 10.160 1.00 73.11 H new ATOM 0 HA HIS A 51 4.508 -0.737 9.542 1.00 35.12 H new ATOM 0 HB2 HIS A 51 2.606 -0.819 11.924 1.00 13.32 H new ATOM 0 HB3 HIS A 51 4.139 -1.663 11.827 1.00 13.32 H new ATOM 0 HD2 HIS A 51 6.444 0.158 11.758 1.00 32.13 H new ATOM 0 HE1 HIS A 51 4.276 3.273 13.644 1.00 12.45 H new ATOM 0 HE2 HIS A 51 6.588 2.438 13.009 1.00 33.44 H new ATOM 800 N GLU A 52 1.537 -1.973 9.164 1.00 61.24 N ATOM 801 CA GLU A 52 0.740 -3.148 8.793 1.00 60.34 C ATOM 802 C GLU A 52 -0.066 -2.894 7.505 1.00 44.53 C ATOM 803 O GLU A 52 -0.623 -1.808 7.314 1.00 14.03 O ATOM 804 CB GLU A 52 -0.217 -3.508 9.939 1.00 63.20 C ATOM 805 CG GLU A 52 -0.770 -4.928 9.868 1.00 75.03 C ATOM 806 CD GLU A 52 0.270 -5.973 10.233 1.00 71.14 C ATOM 807 OE1 GLU A 52 1.024 -6.414 9.342 1.00 62.40 O ATOM 808 OE2 GLU A 52 0.351 -6.344 11.426 1.00 24.20 O ATOM 0 H GLU A 52 1.029 -1.090 9.120 1.00 61.24 H new ATOM 0 HA GLU A 52 1.424 -3.977 8.608 1.00 60.34 H new ATOM 0 HB2 GLU A 52 0.305 -3.380 10.887 1.00 63.20 H new ATOM 0 HB3 GLU A 52 -1.050 -2.805 9.936 1.00 63.20 H new ATOM 0 HG2 GLU A 52 -1.623 -5.017 10.541 1.00 75.03 H new ATOM 0 HG3 GLU A 52 -1.138 -5.122 8.860 1.00 75.03 H new ATOM 815 N ALA A 53 -0.141 -3.903 6.632 1.00 33.24 N ATOM 816 CA ALA A 53 -0.852 -3.766 5.353 1.00 24.54 C ATOM 817 C ALA A 53 -1.325 -5.120 4.793 1.00 71.42 C ATOM 818 O ALA A 53 -0.711 -6.159 5.039 1.00 22.14 O ATOM 819 CB ALA A 53 0.039 -3.061 4.333 1.00 55.05 C ATOM 0 H ALA A 53 0.279 -4.820 6.784 1.00 33.24 H new ATOM 0 HA ALA A 53 -1.743 -3.167 5.542 1.00 24.54 H new ATOM 0 HB1 ALA A 53 -0.496 -2.964 3.388 1.00 55.05 H new ATOM 0 HB2 ALA A 53 0.303 -2.071 4.704 1.00 55.05 H new ATOM 0 HB3 ALA A 53 0.946 -3.645 4.178 1.00 55.05 H new ATOM 825 N LEU A 54 -2.422 -5.085 4.036 1.00 42.42 N ATOM 826 CA LEU A 54 -2.955 -6.275 3.357 1.00 21.52 C ATOM 827 C LEU A 54 -2.495 -6.335 1.895 1.00 30.11 C ATOM 828 O LEU A 54 -2.157 -5.317 1.291 1.00 25.35 O ATOM 829 CB LEU A 54 -4.492 -6.286 3.391 1.00 20.24 C ATOM 830 CG LEU A 54 -5.134 -6.564 4.756 1.00 5.12 C ATOM 831 CD1 LEU A 54 -6.651 -6.408 4.679 1.00 65.33 C ATOM 832 CD2 LEU A 54 -4.766 -7.964 5.252 1.00 23.30 C ATOM 0 H LEU A 54 -2.966 -4.238 3.874 1.00 42.42 H new ATOM 0 HA LEU A 54 -2.571 -7.144 3.891 1.00 21.52 H new ATOM 0 HB2 LEU A 54 -4.850 -5.321 3.033 1.00 20.24 H new ATOM 0 HB3 LEU A 54 -4.846 -7.038 2.686 1.00 20.24 H new ATOM 0 HG LEU A 54 -4.748 -5.834 5.468 1.00 5.12 H new ATOM 0 HD11 LEU A 54 -7.088 -6.609 5.657 1.00 65.33 H new ATOM 0 HD12 LEU A 54 -6.897 -5.391 4.374 1.00 65.33 H new ATOM 0 HD13 LEU A 54 -7.053 -7.112 3.950 1.00 65.33 H new ATOM 0 HD21 LEU A 54 -5.232 -8.141 6.222 1.00 23.30 H new ATOM 0 HD22 LEU A 54 -5.121 -8.708 4.538 1.00 23.30 H new ATOM 0 HD23 LEU A 54 -3.683 -8.042 5.350 1.00 23.30 H new ATOM 844 N ILE A 55 -2.509 -7.536 1.332 1.00 2.12 N ATOM 845 CA ILE A 55 -2.126 -7.741 -0.065 1.00 54.05 C ATOM 846 C ILE A 55 -3.056 -8.763 -0.742 1.00 32.02 C ATOM 847 O ILE A 55 -3.419 -9.782 -0.147 1.00 11.33 O ATOM 848 CB ILE A 55 -0.651 -8.223 -0.171 1.00 22.03 C ATOM 849 CG1 ILE A 55 -0.203 -8.323 -1.639 1.00 35.02 C ATOM 850 CG2 ILE A 55 -0.463 -9.563 0.540 1.00 33.52 C ATOM 851 CD1 ILE A 55 -0.190 -6.997 -2.373 1.00 44.40 C ATOM 0 H ILE A 55 -2.782 -8.388 1.821 1.00 2.12 H new ATOM 0 HA ILE A 55 -2.220 -6.784 -0.578 1.00 54.05 H new ATOM 0 HB ILE A 55 -0.024 -7.481 0.323 1.00 22.03 H new ATOM 0 HG12 ILE A 55 0.797 -8.755 -1.674 1.00 35.02 H new ATOM 0 HG13 ILE A 55 -0.866 -9.010 -2.164 1.00 35.02 H new ATOM 0 HG21 ILE A 55 0.576 -9.879 0.452 1.00 33.52 H new ATOM 0 HG22 ILE A 55 -0.721 -9.455 1.593 1.00 33.52 H new ATOM 0 HG23 ILE A 55 -1.110 -10.312 0.082 1.00 33.52 H new ATOM 0 HD11 ILE A 55 0.137 -7.153 -3.401 1.00 44.40 H new ATOM 0 HD12 ILE A 55 -1.193 -6.571 -2.372 1.00 44.40 H new ATOM 0 HD13 ILE A 55 0.496 -6.312 -1.874 1.00 44.40 H new ATOM 863 N THR A 56 -3.471 -8.471 -1.972 1.00 22.31 N ATOM 864 CA THR A 56 -4.255 -9.433 -2.764 1.00 74.51 C ATOM 865 C THR A 56 -3.453 -10.718 -3.029 1.00 10.44 C ATOM 866 O THR A 56 -2.225 -10.701 -3.024 1.00 1.12 O ATOM 867 CB THR A 56 -4.710 -8.833 -4.111 1.00 3.33 C ATOM 868 OG1 THR A 56 -3.577 -8.316 -4.820 1.00 11.43 O ATOM 869 CG2 THR A 56 -5.742 -7.729 -3.905 1.00 61.12 C ATOM 0 H THR A 56 -3.283 -7.587 -2.444 1.00 22.31 H new ATOM 0 HA THR A 56 -5.139 -9.674 -2.173 1.00 74.51 H new ATOM 0 HB THR A 56 -5.176 -9.626 -4.696 1.00 3.33 H new ATOM 0 HG1 THR A 56 -2.755 -8.556 -4.343 1.00 11.43 H new ATOM 0 HG21 THR A 56 -6.042 -7.327 -4.872 1.00 61.12 H new ATOM 0 HG22 THR A 56 -6.615 -8.137 -3.395 1.00 61.12 H new ATOM 0 HG23 THR A 56 -5.308 -6.933 -3.300 1.00 61.12 H new ATOM 877 N ARG A 57 -4.155 -11.820 -3.282 1.00 60.04 N ATOM 878 CA ARG A 57 -3.519 -13.146 -3.392 1.00 15.01 C ATOM 879 C ARG A 57 -2.445 -13.198 -4.499 1.00 43.12 C ATOM 880 O ARG A 57 -1.437 -13.897 -4.369 1.00 31.51 O ATOM 881 CB ARG A 57 -4.590 -14.208 -3.662 1.00 32.31 C ATOM 882 CG ARG A 57 -5.808 -14.102 -2.745 1.00 71.44 C ATOM 883 CD ARG A 57 -6.764 -15.268 -2.949 1.00 34.54 C ATOM 884 NE ARG A 57 -6.178 -16.530 -2.515 1.00 63.02 N ATOM 885 CZ ARG A 57 -5.999 -17.567 -3.287 1.00 53.21 C ATOM 886 NH1 ARG A 57 -6.299 -17.522 -4.546 1.00 4.12 N ATOM 887 NH2 ARG A 57 -5.497 -18.644 -2.790 1.00 74.31 N ATOM 0 H ARG A 57 -5.166 -11.829 -3.416 1.00 60.04 H new ATOM 0 HA ARG A 57 -3.017 -13.345 -2.445 1.00 15.01 H new ATOM 0 HB2 ARG A 57 -4.918 -14.124 -4.698 1.00 32.31 H new ATOM 0 HB3 ARG A 57 -4.145 -15.197 -3.547 1.00 32.31 H new ATOM 0 HG2 ARG A 57 -5.481 -14.076 -1.706 1.00 71.44 H new ATOM 0 HG3 ARG A 57 -6.330 -13.165 -2.938 1.00 71.44 H new ATOM 0 HD2 ARG A 57 -7.684 -15.085 -2.395 1.00 34.54 H new ATOM 0 HD3 ARG A 57 -7.035 -15.336 -4.003 1.00 34.54 H new ATOM 0 HE ARG A 57 -5.888 -16.608 -1.540 1.00 63.02 H new ATOM 0 HH11 ARG A 57 -6.682 -16.667 -4.949 1.00 4.12 H new ATOM 0 HH12 ARG A 57 -6.153 -18.342 -5.135 1.00 4.12 H new ATOM 0 HH21 ARG A 57 -5.244 -18.680 -1.803 1.00 74.31 H new ATOM 0 HH22 ARG A 57 -5.353 -19.461 -3.384 1.00 74.31 H new ATOM 901 N ASP A 58 -2.673 -12.466 -5.587 1.00 2.42 N ATOM 902 CA ASP A 58 -1.718 -12.404 -6.701 1.00 2.40 C ATOM 903 C ASP A 58 -0.908 -11.090 -6.673 1.00 70.41 C ATOM 904 O ASP A 58 -0.358 -10.662 -7.688 1.00 74.22 O ATOM 905 CB ASP A 58 -2.468 -12.563 -8.031 1.00 41.32 C ATOM 906 CG ASP A 58 -3.103 -13.939 -8.164 1.00 14.24 C ATOM 907 OD1 ASP A 58 -4.156 -14.182 -7.534 1.00 41.34 O ATOM 908 OD2 ASP A 58 -2.549 -14.794 -8.890 1.00 64.24 O ATOM 0 H ASP A 58 -3.513 -11.904 -5.725 1.00 2.42 H new ATOM 0 HA ASP A 58 -1.005 -13.222 -6.597 1.00 2.40 H new ATOM 0 HB2 ASP A 58 -3.241 -11.798 -8.106 1.00 41.32 H new ATOM 0 HB3 ASP A 58 -1.778 -12.400 -8.859 1.00 41.32 H new ATOM 913 N ARG A 59 -0.841 -10.466 -5.488 1.00 74.25 N ATOM 914 CA ARG A 59 -0.038 -9.248 -5.264 1.00 74.23 C ATOM 915 C ARG A 59 -0.397 -8.104 -6.237 1.00 5.04 C ATOM 916 O ARG A 59 0.451 -7.299 -6.622 1.00 11.12 O ATOM 917 CB ARG A 59 1.458 -9.595 -5.334 1.00 63.13 C ATOM 918 CG ARG A 59 1.895 -10.555 -4.226 1.00 75.45 C ATOM 919 CD ARG A 59 3.357 -10.967 -4.349 1.00 12.10 C ATOM 920 NE ARG A 59 3.754 -11.851 -3.251 1.00 43.01 N ATOM 921 CZ ARG A 59 4.602 -12.839 -3.364 1.00 30.32 C ATOM 922 NH1 ARG A 59 5.203 -13.074 -4.488 1.00 41.43 N ATOM 923 NH2 ARG A 59 4.861 -13.582 -2.334 1.00 41.12 N ATOM 0 H ARG A 59 -1.339 -10.788 -4.658 1.00 74.25 H new ATOM 0 HA ARG A 59 -0.275 -8.875 -4.268 1.00 74.23 H new ATOM 0 HB2 ARG A 59 1.678 -10.042 -6.304 1.00 63.13 H new ATOM 0 HB3 ARG A 59 2.043 -8.678 -5.266 1.00 63.13 H new ATOM 0 HG2 ARG A 59 1.735 -10.082 -3.257 1.00 75.45 H new ATOM 0 HG3 ARG A 59 1.267 -11.446 -4.254 1.00 75.45 H new ATOM 0 HD2 ARG A 59 3.516 -11.473 -5.302 1.00 12.10 H new ATOM 0 HD3 ARG A 59 3.989 -10.079 -4.350 1.00 12.10 H new ATOM 0 HE ARG A 59 3.340 -11.684 -2.334 1.00 43.01 H new ATOM 0 HH11 ARG A 59 5.017 -12.484 -5.299 1.00 41.43 H new ATOM 0 HH12 ARG A 59 5.862 -13.849 -4.561 1.00 41.43 H new ATOM 0 HH21 ARG A 59 4.404 -13.394 -1.442 1.00 41.12 H new ATOM 0 HH22 ARG A 59 5.522 -14.355 -2.416 1.00 41.12 H new ATOM 937 N LYS A 60 -1.680 -8.019 -6.582 1.00 54.32 N ATOM 938 CA LYS A 60 -2.197 -6.959 -7.457 1.00 22.11 C ATOM 939 C LYS A 60 -2.397 -5.637 -6.688 1.00 4.33 C ATOM 940 O LYS A 60 -1.755 -4.626 -6.979 1.00 22.33 O ATOM 941 CB LYS A 60 -3.534 -7.409 -8.064 1.00 42.30 C ATOM 942 CG LYS A 60 -3.465 -8.735 -8.817 1.00 22.14 C ATOM 943 CD LYS A 60 -2.763 -8.607 -10.170 1.00 1.53 C ATOM 944 CE LYS A 60 -3.541 -7.710 -11.127 1.00 24.25 C ATOM 945 NZ LYS A 60 -4.960 -8.139 -11.263 1.00 21.22 N ATOM 0 H LYS A 60 -2.391 -8.678 -6.266 1.00 54.32 H new ATOM 0 HA LYS A 60 -1.466 -6.781 -8.246 1.00 22.11 H new ATOM 0 HB2 LYS A 60 -4.272 -7.495 -7.266 1.00 42.30 H new ATOM 0 HB3 LYS A 60 -3.890 -6.636 -8.745 1.00 42.30 H new ATOM 0 HG2 LYS A 60 -2.938 -9.468 -8.206 1.00 22.14 H new ATOM 0 HG3 LYS A 60 -4.475 -9.115 -8.970 1.00 22.14 H new ATOM 0 HD2 LYS A 60 -1.762 -8.201 -10.024 1.00 1.53 H new ATOM 0 HD3 LYS A 60 -2.644 -9.596 -10.613 1.00 1.53 H new ATOM 0 HE2 LYS A 60 -3.506 -6.681 -10.769 1.00 24.25 H new ATOM 0 HE3 LYS A 60 -3.063 -7.723 -12.106 1.00 24.25 H new ATOM 0 HZ1 LYS A 60 -5.379 -7.693 -12.104 1.00 21.22 H new ATOM 0 HZ2 LYS A 60 -5.002 -9.173 -11.363 1.00 21.22 H new ATOM 0 HZ3 LYS A 60 -5.492 -7.851 -10.417 1.00 21.22 H new ATOM 959 N GLN A 61 -3.292 -5.666 -5.696 1.00 61.21 N ATOM 960 CA GLN A 61 -3.647 -4.469 -4.911 1.00 62.34 C ATOM 961 C GLN A 61 -3.181 -4.579 -3.447 1.00 75.42 C ATOM 962 O GLN A 61 -3.069 -5.679 -2.897 1.00 52.11 O ATOM 963 CB GLN A 61 -5.170 -4.267 -4.941 1.00 1.10 C ATOM 964 CG GLN A 61 -5.752 -4.049 -6.334 1.00 64.41 C ATOM 965 CD GLN A 61 -7.270 -4.159 -6.358 1.00 53.25 C ATOM 966 OE1 GLN A 61 -7.864 -4.904 -5.582 1.00 72.04 O ATOM 967 NE2 GLN A 61 -7.908 -3.437 -7.252 1.00 34.31 N ATOM 0 H GLN A 61 -3.790 -6.510 -5.412 1.00 61.21 H new ATOM 0 HA GLN A 61 -3.139 -3.617 -5.363 1.00 62.34 H new ATOM 0 HB2 GLN A 61 -5.648 -5.138 -4.494 1.00 1.10 H new ATOM 0 HB3 GLN A 61 -5.422 -3.409 -4.317 1.00 1.10 H new ATOM 0 HG2 GLN A 61 -5.457 -3.064 -6.697 1.00 64.41 H new ATOM 0 HG3 GLN A 61 -5.327 -4.782 -7.020 1.00 64.41 H new ATOM 0 HE21 GLN A 61 -7.386 -2.828 -7.882 1.00 34.31 H new ATOM 0 HE22 GLN A 61 -8.925 -3.486 -7.316 1.00 34.31 H new ATOM 976 N VAL A 62 -2.920 -3.426 -2.831 1.00 33.00 N ATOM 977 CA VAL A 62 -2.526 -3.342 -1.415 1.00 33.54 C ATOM 978 C VAL A 62 -3.568 -2.552 -0.602 1.00 55.14 C ATOM 979 O VAL A 62 -4.212 -1.641 -1.123 1.00 63.22 O ATOM 980 CB VAL A 62 -1.145 -2.644 -1.258 1.00 32.22 C ATOM 981 CG1 VAL A 62 -0.717 -2.591 0.210 1.00 14.41 C ATOM 982 CG2 VAL A 62 -0.083 -3.339 -2.106 1.00 30.04 C ATOM 0 H VAL A 62 -2.974 -2.520 -3.296 1.00 33.00 H new ATOM 0 HA VAL A 62 -2.462 -4.363 -1.039 1.00 33.54 H new ATOM 0 HB VAL A 62 -1.248 -1.619 -1.615 1.00 32.22 H new ATOM 0 HG11 VAL A 62 0.252 -2.098 0.289 1.00 14.41 H new ATOM 0 HG12 VAL A 62 -1.456 -2.033 0.785 1.00 14.41 H new ATOM 0 HG13 VAL A 62 -0.641 -3.605 0.604 1.00 14.41 H new ATOM 0 HG21 VAL A 62 0.873 -2.832 -1.979 1.00 30.04 H new ATOM 0 HG22 VAL A 62 0.012 -4.378 -1.790 1.00 30.04 H new ATOM 0 HG23 VAL A 62 -0.375 -3.304 -3.156 1.00 30.04 H new ATOM 992 N PHE A 63 -3.733 -2.907 0.675 1.00 21.43 N ATOM 993 CA PHE A 63 -4.663 -2.200 1.572 1.00 13.25 C ATOM 994 C PHE A 63 -3.999 -1.883 2.924 1.00 51.43 C ATOM 995 O PHE A 63 -2.989 -2.481 3.287 1.00 12.24 O ATOM 996 CB PHE A 63 -5.936 -3.030 1.791 1.00 31.14 C ATOM 997 CG PHE A 63 -6.794 -3.169 0.555 1.00 33.02 C ATOM 998 CD1 PHE A 63 -6.534 -4.155 -0.391 1.00 14.10 C ATOM 999 CD2 PHE A 63 -7.863 -2.308 0.338 1.00 13.34 C ATOM 1000 CE1 PHE A 63 -7.320 -4.276 -1.522 1.00 73.50 C ATOM 1001 CE2 PHE A 63 -8.651 -2.428 -0.793 1.00 65.54 C ATOM 1002 CZ PHE A 63 -8.379 -3.414 -1.723 1.00 1.14 C ATOM 0 H PHE A 63 -3.235 -3.681 1.116 1.00 21.43 H new ATOM 0 HA PHE A 63 -4.933 -1.258 1.095 1.00 13.25 H new ATOM 0 HB2 PHE A 63 -5.655 -4.024 2.140 1.00 31.14 H new ATOM 0 HB3 PHE A 63 -6.527 -2.569 2.582 1.00 31.14 H new ATOM 0 HD1 PHE A 63 -5.708 -4.834 -0.240 1.00 14.10 H new ATOM 0 HD2 PHE A 63 -8.081 -1.536 1.061 1.00 13.34 H new ATOM 0 HE1 PHE A 63 -7.105 -5.046 -2.249 1.00 73.50 H new ATOM 0 HE2 PHE A 63 -9.478 -1.752 -0.949 1.00 65.54 H new ATOM 0 HZ PHE A 63 -8.994 -3.510 -2.605 1.00 1.14 H new ATOM 1012 N ARG A 64 -4.577 -0.941 3.667 1.00 44.14 N ATOM 1013 CA ARG A 64 -4.005 -0.498 4.947 1.00 62.44 C ATOM 1014 C ARG A 64 -4.694 -1.162 6.157 1.00 1.13 C ATOM 1015 O ARG A 64 -5.902 -1.389 6.156 1.00 25.44 O ATOM 1016 CB ARG A 64 -4.113 1.031 5.059 1.00 24.02 C ATOM 1017 CG ARG A 64 -3.643 1.598 6.398 1.00 32.53 C ATOM 1018 CD ARG A 64 -3.772 3.116 6.453 1.00 71.31 C ATOM 1019 NE ARG A 64 -3.468 3.642 7.784 1.00 75.04 N ATOM 1020 CZ ARG A 64 -4.026 4.706 8.301 1.00 61.01 C ATOM 1021 NH1 ARG A 64 -4.899 5.388 7.630 1.00 31.14 N ATOM 1022 NH2 ARG A 64 -3.720 5.079 9.503 1.00 53.41 N ATOM 0 H ARG A 64 -5.442 -0.466 3.408 1.00 44.14 H new ATOM 0 HA ARG A 64 -2.958 -0.802 4.962 1.00 62.44 H new ATOM 0 HB2 ARG A 64 -3.527 1.484 4.260 1.00 24.02 H new ATOM 0 HB3 ARG A 64 -5.151 1.323 4.898 1.00 24.02 H new ATOM 0 HG2 ARG A 64 -4.228 1.155 7.204 1.00 32.53 H new ATOM 0 HG3 ARG A 64 -2.604 1.316 6.566 1.00 32.53 H new ATOM 0 HD2 ARG A 64 -3.098 3.564 5.723 1.00 71.31 H new ATOM 0 HD3 ARG A 64 -4.785 3.405 6.171 1.00 71.31 H new ATOM 0 HE ARG A 64 -2.776 3.146 8.346 1.00 75.04 H new ATOM 0 HH11 ARG A 64 -5.158 5.097 6.687 1.00 31.14 H new ATOM 0 HH12 ARG A 64 -5.327 6.216 8.044 1.00 31.14 H new ATOM 0 HH21 ARG A 64 -3.044 4.543 10.047 1.00 53.41 H new ATOM 0 HH22 ARG A 64 -4.155 5.909 9.906 1.00 53.41 H new ATOM 1036 N ILE A 65 -3.909 -1.477 7.190 1.00 42.45 N ATOM 1037 CA ILE A 65 -4.460 -1.974 8.461 1.00 51.41 C ATOM 1038 C ILE A 65 -4.125 -1.015 9.614 1.00 53.21 C ATOM 1039 O ILE A 65 -3.045 -1.088 10.207 1.00 40.43 O ATOM 1040 CB ILE A 65 -3.930 -3.389 8.813 1.00 5.04 C ATOM 1041 CG1 ILE A 65 -4.249 -4.386 7.689 1.00 23.25 C ATOM 1042 CG2 ILE A 65 -4.520 -3.870 10.142 1.00 4.20 C ATOM 1043 CD1 ILE A 65 -3.741 -5.787 7.961 1.00 22.33 C ATOM 0 H ILE A 65 -2.892 -1.398 7.175 1.00 42.45 H new ATOM 0 HA ILE A 65 -5.541 -2.032 8.330 1.00 51.41 H new ATOM 0 HB ILE A 65 -2.847 -3.330 8.918 1.00 5.04 H new ATOM 0 HG12 ILE A 65 -5.328 -4.422 7.542 1.00 23.25 H new ATOM 0 HG13 ILE A 65 -3.812 -4.024 6.758 1.00 23.25 H new ATOM 0 HG21 ILE A 65 -4.137 -4.864 10.372 1.00 4.20 H new ATOM 0 HG22 ILE A 65 -4.237 -3.179 10.937 1.00 4.20 H new ATOM 0 HG23 ILE A 65 -5.607 -3.909 10.065 1.00 4.20 H new ATOM 0 HD11 ILE A 65 -4.002 -6.437 7.126 1.00 22.33 H new ATOM 0 HD12 ILE A 65 -2.658 -5.765 8.079 1.00 22.33 H new ATOM 0 HD13 ILE A 65 -4.198 -6.169 8.874 1.00 22.33 H new ATOM 1055 N GLU A 66 -5.048 -0.108 9.918 1.00 10.12 N ATOM 1056 CA GLU A 66 -4.852 0.860 11.003 1.00 75.32 C ATOM 1057 C GLU A 66 -5.441 0.325 12.319 1.00 14.44 C ATOM 1058 O GLU A 66 -6.418 -0.431 12.306 1.00 1.31 O ATOM 1059 CB GLU A 66 -5.494 2.211 10.642 1.00 63.25 C ATOM 1060 CG GLU A 66 -7.022 2.194 10.629 1.00 43.33 C ATOM 1061 CD GLU A 66 -7.632 3.500 10.129 1.00 20.14 C ATOM 1062 OE1 GLU A 66 -7.240 4.581 10.619 1.00 2.04 O ATOM 1063 OE2 GLU A 66 -8.502 3.448 9.234 1.00 44.34 O ATOM 0 H GLU A 66 -5.940 -0.019 9.431 1.00 10.12 H new ATOM 0 HA GLU A 66 -3.781 1.009 11.139 1.00 75.32 H new ATOM 0 HB2 GLU A 66 -5.156 2.963 11.355 1.00 63.25 H new ATOM 0 HB3 GLU A 66 -5.137 2.520 9.660 1.00 63.25 H new ATOM 0 HG2 GLU A 66 -7.365 1.375 9.997 1.00 43.33 H new ATOM 0 HG3 GLU A 66 -7.386 1.993 11.637 1.00 43.33 H new ATOM 1070 N ASP A 67 -4.836 0.717 13.445 1.00 11.00 N ATOM 1071 CA ASP A 67 -5.279 0.274 14.775 1.00 22.50 C ATOM 1072 C ASP A 67 -5.174 -1.258 14.921 1.00 3.41 C ATOM 1073 O ASP A 67 -4.238 -1.778 15.531 1.00 22.44 O ATOM 1074 CB ASP A 67 -6.721 0.752 15.036 1.00 23.10 C ATOM 1075 CG ASP A 67 -7.245 0.342 16.402 1.00 21.51 C ATOM 1076 OD1 ASP A 67 -7.796 -0.772 16.523 1.00 52.34 O ATOM 1077 OD2 ASP A 67 -7.113 1.130 17.359 1.00 44.21 O ATOM 0 H ASP A 67 -4.032 1.345 13.463 1.00 11.00 H new ATOM 0 HA ASP A 67 -4.620 0.718 15.521 1.00 22.50 H new ATOM 0 HB2 ASP A 67 -6.759 1.838 14.949 1.00 23.10 H new ATOM 0 HB3 ASP A 67 -7.377 0.348 14.265 1.00 23.10 H new ATOM 1082 N SER A 68 -6.149 -1.959 14.352 1.00 25.04 N ATOM 1083 CA SER A 68 -6.179 -3.427 14.336 1.00 52.40 C ATOM 1084 C SER A 68 -7.283 -3.918 13.390 1.00 13.13 C ATOM 1085 O SER A 68 -7.779 -5.042 13.502 1.00 64.41 O ATOM 1086 CB SER A 68 -6.416 -3.978 15.752 1.00 0.54 C ATOM 1087 OG SER A 68 -6.314 -5.395 15.783 1.00 62.44 O ATOM 0 H SER A 68 -6.947 -1.528 13.885 1.00 25.04 H new ATOM 0 HA SER A 68 -5.215 -3.790 13.980 1.00 52.40 H new ATOM 0 HB2 SER A 68 -5.689 -3.545 16.439 1.00 0.54 H new ATOM 0 HB3 SER A 68 -7.403 -3.675 16.101 1.00 0.54 H new ATOM 0 HG SER A 68 -6.769 -5.773 15.002 1.00 62.44 H new ATOM 1093 N ILE A 69 -7.653 -3.067 12.435 1.00 34.24 N ATOM 1094 CA ILE A 69 -8.774 -3.345 11.531 1.00 31.42 C ATOM 1095 C ILE A 69 -8.304 -3.474 10.070 1.00 20.13 C ATOM 1096 O ILE A 69 -7.728 -2.535 9.515 1.00 23.05 O ATOM 1097 CB ILE A 69 -9.840 -2.219 11.616 1.00 62.31 C ATOM 1098 CG1 ILE A 69 -10.344 -2.050 13.060 1.00 12.20 C ATOM 1099 CG2 ILE A 69 -11.010 -2.499 10.668 1.00 63.05 C ATOM 1100 CD1 ILE A 69 -10.984 -3.294 13.646 1.00 23.24 C ATOM 0 H ILE A 69 -7.192 -2.173 12.264 1.00 34.24 H new ATOM 0 HA ILE A 69 -9.211 -4.292 11.847 1.00 31.42 H new ATOM 0 HB ILE A 69 -9.367 -1.287 11.307 1.00 62.31 H new ATOM 0 HG12 ILE A 69 -9.507 -1.754 13.692 1.00 12.20 H new ATOM 0 HG13 ILE A 69 -11.068 -1.236 13.087 1.00 12.20 H new ATOM 0 HG21 ILE A 69 -11.742 -1.696 10.747 1.00 63.05 H new ATOM 0 HG22 ILE A 69 -10.643 -2.556 9.643 1.00 63.05 H new ATOM 0 HG23 ILE A 69 -11.479 -3.445 10.938 1.00 63.05 H new ATOM 0 HD11 ILE A 69 -11.311 -3.089 14.665 1.00 23.24 H new ATOM 0 HD12 ILE A 69 -11.843 -3.581 13.040 1.00 23.24 H new ATOM 0 HD13 ILE A 69 -10.258 -4.107 13.655 1.00 23.24 H new ATOM 1112 N PRO A 70 -8.530 -4.642 9.429 1.00 54.11 N ATOM 1113 CA PRO A 70 -8.256 -4.818 7.992 1.00 22.41 C ATOM 1114 C PRO A 70 -9.163 -3.932 7.117 1.00 61.13 C ATOM 1115 O PRO A 70 -10.265 -4.334 6.729 1.00 72.24 O ATOM 1116 CB PRO A 70 -8.542 -6.311 7.747 1.00 3.43 C ATOM 1117 CG PRO A 70 -9.430 -6.730 8.874 1.00 32.22 C ATOM 1118 CD PRO A 70 -9.040 -5.879 10.053 1.00 24.11 C ATOM 0 HA PRO A 70 -7.239 -4.527 7.729 1.00 22.41 H new ATOM 0 HB2 PRO A 70 -9.028 -6.466 6.784 1.00 3.43 H new ATOM 0 HB3 PRO A 70 -7.620 -6.892 7.735 1.00 3.43 H new ATOM 0 HG2 PRO A 70 -10.479 -6.584 8.618 1.00 32.22 H new ATOM 0 HG3 PRO A 70 -9.301 -7.789 9.098 1.00 32.22 H new ATOM 0 HD2 PRO A 70 -9.892 -5.679 10.703 1.00 24.11 H new ATOM 0 HD3 PRO A 70 -8.279 -6.364 10.664 1.00 24.11 H new ATOM 1126 N VAL A 71 -8.692 -2.717 6.827 1.00 41.32 N ATOM 1127 CA VAL A 71 -9.475 -1.726 6.079 1.00 53.25 C ATOM 1128 C VAL A 71 -9.570 -2.080 4.585 1.00 54.42 C ATOM 1129 O VAL A 71 -8.591 -1.986 3.847 1.00 62.34 O ATOM 1130 CB VAL A 71 -8.863 -0.310 6.233 1.00 35.23 C ATOM 1131 CG1 VAL A 71 -9.694 0.735 5.492 1.00 5.35 C ATOM 1132 CG2 VAL A 71 -8.727 0.057 7.709 1.00 3.12 C ATOM 0 H VAL A 71 -7.765 -2.392 7.101 1.00 41.32 H new ATOM 0 HA VAL A 71 -10.481 -1.735 6.499 1.00 53.25 H new ATOM 0 HB VAL A 71 -7.869 -0.323 5.786 1.00 35.23 H new ATOM 0 HG11 VAL A 71 -9.240 1.718 5.619 1.00 5.35 H new ATOM 0 HG12 VAL A 71 -9.730 0.486 4.431 1.00 5.35 H new ATOM 0 HG13 VAL A 71 -10.706 0.748 5.896 1.00 5.35 H new ATOM 0 HG21 VAL A 71 -8.296 1.054 7.798 1.00 3.12 H new ATOM 0 HG22 VAL A 71 -9.710 0.044 8.179 1.00 3.12 H new ATOM 0 HG23 VAL A 71 -8.078 -0.665 8.205 1.00 3.12 H new ATOM 1142 N LEU A 72 -10.764 -2.487 4.147 1.00 0.43 N ATOM 1143 CA LEU A 72 -10.997 -2.857 2.745 1.00 63.13 C ATOM 1144 C LEU A 72 -11.527 -1.662 1.926 1.00 44.01 C ATOM 1145 O LEU A 72 -11.908 -1.815 0.764 1.00 35.43 O ATOM 1146 CB LEU A 72 -11.998 -4.021 2.680 1.00 11.33 C ATOM 1147 CG LEU A 72 -11.664 -5.221 3.585 1.00 64.21 C ATOM 1148 CD1 LEU A 72 -12.697 -6.334 3.421 1.00 1.02 C ATOM 1149 CD2 LEU A 72 -10.261 -5.745 3.294 1.00 55.14 C ATOM 0 H LEU A 72 -11.587 -2.569 4.743 1.00 0.43 H new ATOM 0 HA LEU A 72 -10.045 -3.163 2.311 1.00 63.13 H new ATOM 0 HB2 LEU A 72 -12.985 -3.646 2.950 1.00 11.33 H new ATOM 0 HB3 LEU A 72 -12.060 -4.369 1.649 1.00 11.33 H new ATOM 0 HG LEU A 72 -11.695 -4.879 4.620 1.00 64.21 H new ATOM 0 HD11 LEU A 72 -12.438 -7.170 4.071 1.00 1.02 H new ATOM 0 HD12 LEU A 72 -13.684 -5.957 3.690 1.00 1.02 H new ATOM 0 HD13 LEU A 72 -12.708 -6.671 2.384 1.00 1.02 H new ATOM 0 HD21 LEU A 72 -10.047 -6.593 3.945 1.00 55.14 H new ATOM 0 HD22 LEU A 72 -10.200 -6.063 2.253 1.00 55.14 H new ATOM 0 HD23 LEU A 72 -9.533 -4.955 3.476 1.00 55.14 H new ATOM 1161 N LEU A 73 -11.542 -0.476 2.540 1.00 10.31 N ATOM 1162 CA LEU A 73 -12.071 0.736 1.893 1.00 73.44 C ATOM 1163 C LEU A 73 -11.247 1.140 0.658 1.00 53.34 C ATOM 1164 O LEU A 73 -10.014 1.185 0.713 1.00 61.01 O ATOM 1165 CB LEU A 73 -12.103 1.904 2.892 1.00 52.40 C ATOM 1166 CG LEU A 73 -13.018 1.708 4.113 1.00 72.35 C ATOM 1167 CD1 LEU A 73 -12.914 2.896 5.065 1.00 23.31 C ATOM 1168 CD2 LEU A 73 -14.465 1.492 3.675 1.00 72.24 C ATOM 0 H LEU A 73 -11.194 -0.325 3.487 1.00 10.31 H new ATOM 0 HA LEU A 73 -13.083 0.505 1.561 1.00 73.44 H new ATOM 0 HB2 LEU A 73 -11.088 2.084 3.246 1.00 52.40 H new ATOM 0 HB3 LEU A 73 -12.420 2.803 2.363 1.00 52.40 H new ATOM 0 HG LEU A 73 -12.686 0.817 4.645 1.00 72.35 H new ATOM 0 HD11 LEU A 73 -13.570 2.735 5.921 1.00 23.31 H new ATOM 0 HD12 LEU A 73 -11.885 2.997 5.410 1.00 23.31 H new ATOM 0 HD13 LEU A 73 -13.213 3.806 4.545 1.00 23.31 H new ATOM 0 HD21 LEU A 73 -15.095 1.356 4.554 1.00 72.24 H new ATOM 0 HD22 LEU A 73 -14.809 2.361 3.114 1.00 72.24 H new ATOM 0 HD23 LEU A 73 -14.526 0.605 3.044 1.00 72.24 H new ATOM 1180 N PRO A 74 -11.921 1.480 -0.463 1.00 51.24 N ATOM 1181 CA PRO A 74 -11.246 1.829 -1.733 1.00 42.21 C ATOM 1182 C PRO A 74 -10.359 3.078 -1.624 1.00 63.14 C ATOM 1183 O PRO A 74 -9.494 3.311 -2.468 1.00 43.42 O ATOM 1184 CB PRO A 74 -12.414 2.075 -2.708 1.00 2.13 C ATOM 1185 CG PRO A 74 -13.585 2.377 -1.835 1.00 54.10 C ATOM 1186 CD PRO A 74 -13.390 1.555 -0.590 1.00 4.01 C ATOM 0 HA PRO A 74 -10.565 1.040 -2.050 1.00 42.21 H new ATOM 0 HB2 PRO A 74 -12.199 2.905 -3.381 1.00 2.13 H new ATOM 0 HB3 PRO A 74 -12.600 1.200 -3.330 1.00 2.13 H new ATOM 0 HG2 PRO A 74 -13.633 3.440 -1.598 1.00 54.10 H new ATOM 0 HG3 PRO A 74 -14.520 2.119 -2.332 1.00 54.10 H new ATOM 0 HD2 PRO A 74 -13.846 2.027 0.280 1.00 4.01 H new ATOM 0 HD3 PRO A 74 -13.837 0.566 -0.686 1.00 4.01 H new ATOM 1194 N GLU A 75 -10.578 3.880 -0.585 1.00 4.11 N ATOM 1195 CA GLU A 75 -9.761 5.074 -0.338 1.00 35.50 C ATOM 1196 C GLU A 75 -8.303 4.703 -0.013 1.00 4.54 C ATOM 1197 O GLU A 75 -7.371 5.375 -0.443 1.00 44.13 O ATOM 1198 CB GLU A 75 -10.366 5.900 0.807 1.00 34.22 C ATOM 1199 CG GLU A 75 -10.536 5.121 2.109 1.00 63.41 C ATOM 1200 CD GLU A 75 -11.132 5.962 3.227 1.00 52.02 C ATOM 1201 OE1 GLU A 75 -12.309 6.356 3.111 1.00 34.35 O ATOM 1202 OE2 GLU A 75 -10.425 6.241 4.220 1.00 41.42 O ATOM 0 H GLU A 75 -11.315 3.728 0.103 1.00 4.11 H new ATOM 0 HA GLU A 75 -9.757 5.672 -1.250 1.00 35.50 H new ATOM 0 HB2 GLU A 75 -9.730 6.765 0.993 1.00 34.22 H new ATOM 0 HB3 GLU A 75 -11.338 6.281 0.493 1.00 34.22 H new ATOM 0 HG2 GLU A 75 -11.177 4.258 1.929 1.00 63.41 H new ATOM 0 HG3 GLU A 75 -9.566 4.738 2.427 1.00 63.41 H new ATOM 1209 N GLU A 76 -8.120 3.615 0.734 1.00 25.11 N ATOM 1210 CA GLU A 76 -6.784 3.155 1.137 1.00 52.12 C ATOM 1211 C GLU A 76 -6.251 2.070 0.182 1.00 65.14 C ATOM 1212 O GLU A 76 -5.213 1.457 0.439 1.00 53.11 O ATOM 1213 CB GLU A 76 -6.840 2.611 2.577 1.00 75.04 C ATOM 1214 CG GLU A 76 -7.341 3.623 3.617 1.00 70.40 C ATOM 1215 CD GLU A 76 -6.278 4.609 4.101 1.00 62.14 C ATOM 1216 OE1 GLU A 76 -5.395 5.005 3.311 1.00 12.04 O ATOM 1217 OE2 GLU A 76 -6.320 4.990 5.297 1.00 24.43 O ATOM 0 H GLU A 76 -8.883 3.030 1.076 1.00 25.11 H new ATOM 0 HA GLU A 76 -6.101 4.003 1.091 1.00 52.12 H new ATOM 0 HB2 GLU A 76 -7.489 1.736 2.597 1.00 75.04 H new ATOM 0 HB3 GLU A 76 -5.844 2.275 2.865 1.00 75.04 H new ATOM 0 HG2 GLU A 76 -8.172 4.184 3.189 1.00 70.40 H new ATOM 0 HG3 GLU A 76 -7.733 3.079 4.476 1.00 70.40 H new ATOM 1224 N ALA A 77 -6.967 1.841 -0.923 1.00 31.13 N ATOM 1225 CA ALA A 77 -6.567 0.840 -1.919 1.00 71.44 C ATOM 1226 C ALA A 77 -5.407 1.346 -2.793 1.00 71.44 C ATOM 1227 O ALA A 77 -5.589 2.216 -3.649 1.00 43.44 O ATOM 1228 CB ALA A 77 -7.758 0.459 -2.792 1.00 71.31 C ATOM 0 H ALA A 77 -7.829 2.336 -1.151 1.00 31.13 H new ATOM 0 HA ALA A 77 -6.220 -0.043 -1.383 1.00 71.44 H new ATOM 0 HB1 ALA A 77 -7.448 -0.284 -3.527 1.00 71.31 H new ATOM 0 HB2 ALA A 77 -8.549 0.044 -2.167 1.00 71.31 H new ATOM 0 HB3 ALA A 77 -8.130 1.345 -3.307 1.00 71.31 H new ATOM 1234 N ILE A 78 -4.217 0.797 -2.572 1.00 3.02 N ATOM 1235 CA ILE A 78 -3.016 1.213 -3.302 1.00 14.12 C ATOM 1236 C ILE A 78 -2.650 0.207 -4.409 1.00 21.44 C ATOM 1237 O ILE A 78 -2.703 -1.006 -4.206 1.00 52.01 O ATOM 1238 CB ILE A 78 -1.813 1.372 -2.339 1.00 34.34 C ATOM 1239 CG1 ILE A 78 -2.177 2.304 -1.168 1.00 11.44 C ATOM 1240 CG2 ILE A 78 -0.582 1.893 -3.084 1.00 50.22 C ATOM 1241 CD1 ILE A 78 -2.671 3.676 -1.592 1.00 30.21 C ATOM 0 H ILE A 78 -4.054 0.057 -1.889 1.00 3.02 H new ATOM 0 HA ILE A 78 -3.240 2.174 -3.764 1.00 14.12 H new ATOM 0 HB ILE A 78 -1.570 0.390 -1.933 1.00 34.34 H new ATOM 0 HG12 ILE A 78 -2.947 1.825 -0.563 1.00 11.44 H new ATOM 0 HG13 ILE A 78 -1.301 2.427 -0.531 1.00 11.44 H new ATOM 0 HG21 ILE A 78 0.249 1.996 -2.386 1.00 50.22 H new ATOM 0 HG22 ILE A 78 -0.309 1.191 -3.872 1.00 50.22 H new ATOM 0 HG23 ILE A 78 -0.808 2.864 -3.525 1.00 50.22 H new ATOM 0 HD11 ILE A 78 -2.905 4.268 -0.707 1.00 30.21 H new ATOM 0 HD12 ILE A 78 -1.896 4.179 -2.171 1.00 30.21 H new ATOM 0 HD13 ILE A 78 -3.567 3.567 -2.203 1.00 30.21 H new ATOM 1253 N ALA A 79 -2.270 0.718 -5.580 1.00 25.24 N ATOM 1254 CA ALA A 79 -1.883 -0.133 -6.714 1.00 73.13 C ATOM 1255 C ALA A 79 -0.362 -0.380 -6.741 1.00 33.53 C ATOM 1256 O ALA A 79 0.429 0.563 -6.812 1.00 41.34 O ATOM 1257 CB ALA A 79 -2.344 0.504 -8.022 1.00 24.42 C ATOM 0 H ALA A 79 -2.221 1.719 -5.772 1.00 25.24 H new ATOM 0 HA ALA A 79 -2.371 -1.100 -6.595 1.00 73.13 H new ATOM 0 HB1 ALA A 79 -2.054 -0.132 -8.858 1.00 24.42 H new ATOM 0 HB2 ALA A 79 -3.428 0.616 -8.010 1.00 24.42 H new ATOM 0 HB3 ALA A 79 -1.880 1.484 -8.133 1.00 24.42 H new ATOM 1263 N THR A 80 0.036 -1.653 -6.703 1.00 62.55 N ATOM 1264 CA THR A 80 1.465 -2.036 -6.708 1.00 50.11 C ATOM 1265 C THR A 80 2.218 -1.485 -7.929 1.00 50.12 C ATOM 1266 O THR A 80 3.410 -1.184 -7.853 1.00 33.15 O ATOM 1267 CB THR A 80 1.643 -3.573 -6.678 1.00 11.11 C ATOM 1268 OG1 THR A 80 0.955 -4.168 -7.789 1.00 41.20 O ATOM 1269 CG2 THR A 80 1.115 -4.162 -5.372 1.00 31.24 C ATOM 0 H THR A 80 -0.607 -2.444 -6.668 1.00 62.55 H new ATOM 0 HA THR A 80 1.887 -1.596 -5.805 1.00 50.11 H new ATOM 0 HB THR A 80 2.708 -3.792 -6.749 1.00 11.11 H new ATOM 0 HG1 THR A 80 0.018 -4.324 -7.548 1.00 41.20 H new ATOM 0 HG21 THR A 80 1.253 -5.243 -5.378 1.00 31.24 H new ATOM 0 HG22 THR A 80 1.660 -3.732 -4.532 1.00 31.24 H new ATOM 0 HG23 THR A 80 0.054 -3.932 -5.272 1.00 31.24 H new ATOM 1277 N ILE A 81 1.513 -1.346 -9.051 1.00 54.15 N ATOM 1278 CA ILE A 81 2.107 -0.824 -10.290 1.00 65.42 C ATOM 1279 C ILE A 81 2.645 0.614 -10.116 1.00 32.11 C ATOM 1280 O ILE A 81 3.537 1.050 -10.844 1.00 40.34 O ATOM 1281 CB ILE A 81 1.069 -0.855 -11.449 1.00 62.14 C ATOM 1282 CG1 ILE A 81 1.701 -0.408 -12.782 1.00 13.31 C ATOM 1283 CG2 ILE A 81 -0.141 0.014 -11.112 1.00 12.43 C ATOM 1284 CD1 ILE A 81 2.811 -1.316 -13.271 1.00 25.34 C ATOM 0 H ILE A 81 0.525 -1.588 -9.132 1.00 54.15 H new ATOM 0 HA ILE A 81 2.949 -1.471 -10.536 1.00 65.42 H new ATOM 0 HB ILE A 81 0.735 -1.886 -11.567 1.00 62.14 H new ATOM 0 HG12 ILE A 81 0.923 -0.360 -13.544 1.00 13.31 H new ATOM 0 HG13 ILE A 81 2.096 0.601 -12.665 1.00 13.31 H new ATOM 0 HG21 ILE A 81 -0.855 -0.021 -11.935 1.00 12.43 H new ATOM 0 HG22 ILE A 81 -0.615 -0.359 -10.204 1.00 12.43 H new ATOM 0 HG23 ILE A 81 0.182 1.043 -10.956 1.00 12.43 H new ATOM 0 HD11 ILE A 81 3.204 -0.935 -14.213 1.00 25.34 H new ATOM 0 HD12 ILE A 81 3.610 -1.346 -12.530 1.00 25.34 H new ATOM 0 HD13 ILE A 81 2.419 -2.322 -13.422 1.00 25.34 H new ATOM 1296 N GLN A 82 2.105 1.338 -9.135 1.00 11.05 N ATOM 1297 CA GLN A 82 2.497 2.732 -8.882 1.00 41.43 C ATOM 1298 C GLN A 82 3.706 2.824 -7.929 1.00 11.30 C ATOM 1299 O GLN A 82 4.266 3.905 -7.720 1.00 50.23 O ATOM 1300 CB GLN A 82 1.303 3.498 -8.291 1.00 22.31 C ATOM 1301 CG GLN A 82 0.054 3.456 -9.168 1.00 14.02 C ATOM 1302 CD GLN A 82 0.207 4.246 -10.461 1.00 15.51 C ATOM 1303 OE1 GLN A 82 -0.132 5.422 -10.525 1.00 15.23 O ATOM 1304 NE2 GLN A 82 0.714 3.610 -11.499 1.00 14.30 N ATOM 0 H GLN A 82 1.392 0.983 -8.498 1.00 11.05 H new ATOM 0 HA GLN A 82 2.794 3.178 -9.831 1.00 41.43 H new ATOM 0 HB2 GLN A 82 1.064 3.082 -7.312 1.00 22.31 H new ATOM 0 HB3 GLN A 82 1.591 4.537 -8.133 1.00 22.31 H new ATOM 0 HG2 GLN A 82 -0.180 2.419 -9.408 1.00 14.02 H new ATOM 0 HG3 GLN A 82 -0.792 3.851 -8.605 1.00 14.02 H new ATOM 0 HE21 GLN A 82 0.987 2.631 -11.414 1.00 14.30 H new ATOM 0 HE22 GLN A 82 0.834 4.097 -12.387 1.00 14.30 H new ATOM 1313 N ILE A 83 4.111 1.690 -7.358 1.00 53.34 N ATOM 1314 CA ILE A 83 5.223 1.662 -6.400 1.00 52.33 C ATOM 1315 C ILE A 83 6.576 1.479 -7.113 1.00 42.41 C ATOM 1316 O ILE A 83 6.976 0.359 -7.443 1.00 62.14 O ATOM 1317 CB ILE A 83 5.035 0.542 -5.344 1.00 31.01 C ATOM 1318 CG1 ILE A 83 3.639 0.637 -4.696 1.00 61.31 C ATOM 1319 CG2 ILE A 83 6.129 0.610 -4.276 1.00 4.02 C ATOM 1320 CD1 ILE A 83 3.350 1.971 -4.038 1.00 43.13 C ATOM 0 H ILE A 83 3.689 0.779 -7.540 1.00 53.34 H new ATOM 0 HA ILE A 83 5.223 2.626 -5.891 1.00 52.33 H new ATOM 0 HB ILE A 83 5.115 -0.419 -5.851 1.00 31.01 H new ATOM 0 HG12 ILE A 83 2.883 0.449 -5.459 1.00 61.31 H new ATOM 0 HG13 ILE A 83 3.542 -0.152 -3.950 1.00 61.31 H new ATOM 0 HG21 ILE A 83 5.976 -0.185 -3.547 1.00 4.02 H new ATOM 0 HG22 ILE A 83 7.105 0.488 -4.746 1.00 4.02 H new ATOM 0 HG23 ILE A 83 6.087 1.576 -3.773 1.00 4.02 H new ATOM 0 HD11 ILE A 83 2.349 1.955 -3.607 1.00 43.13 H new ATOM 0 HD12 ILE A 83 4.081 2.154 -3.251 1.00 43.13 H new ATOM 0 HD13 ILE A 83 3.412 2.765 -4.782 1.00 43.13 H new ATOM 1332 N ALA A 84 7.272 2.591 -7.342 1.00 0.32 N ATOM 1333 CA ALA A 84 8.568 2.584 -8.036 1.00 4.44 C ATOM 1334 C ALA A 84 9.609 1.667 -7.368 1.00 11.42 C ATOM 1335 O ALA A 84 10.514 1.157 -8.028 1.00 61.52 O ATOM 1336 CB ALA A 84 9.112 4.008 -8.127 1.00 52.44 C ATOM 0 H ALA A 84 6.960 3.519 -7.056 1.00 0.32 H new ATOM 0 HA ALA A 84 8.390 2.181 -9.033 1.00 4.44 H new ATOM 0 HB1 ALA A 84 10.073 3.998 -8.642 1.00 52.44 H new ATOM 0 HB2 ALA A 84 8.410 4.631 -8.681 1.00 52.44 H new ATOM 0 HB3 ALA A 84 9.243 4.412 -7.123 1.00 52.44 H new ATOM 1342 N ASN A 85 9.473 1.457 -6.062 1.00 24.44 N ATOM 1343 CA ASN A 85 10.450 0.673 -5.294 1.00 63.01 C ATOM 1344 C ASN A 85 9.980 -0.773 -5.056 1.00 22.40 C ATOM 1345 O ASN A 85 10.608 -1.518 -4.306 1.00 25.42 O ATOM 1346 CB ASN A 85 10.739 1.364 -3.955 1.00 73.21 C ATOM 1347 CG ASN A 85 11.295 2.767 -4.142 1.00 54.23 C ATOM 1348 OD1 ASN A 85 12.496 2.954 -4.300 1.00 43.12 O ATOM 1349 ND2 ASN A 85 10.433 3.766 -4.122 1.00 44.12 N ATOM 0 H ASN A 85 8.696 1.817 -5.508 1.00 24.44 H new ATOM 0 HA ASN A 85 11.365 0.621 -5.884 1.00 63.01 H new ATOM 0 HB2 ASN A 85 9.822 1.414 -3.368 1.00 73.21 H new ATOM 0 HB3 ASN A 85 11.450 0.766 -3.385 1.00 73.21 H new ATOM 0 HD21 ASN A 85 10.761 4.725 -4.240 1.00 44.12 H new ATOM 0 HD22 ASN A 85 9.439 3.579 -3.989 1.00 44.12 H new ATOM 1356 N PHE A 86 8.872 -1.166 -5.689 1.00 63.10 N ATOM 1357 CA PHE A 86 8.351 -2.534 -5.553 1.00 74.33 C ATOM 1358 C PHE A 86 9.331 -3.561 -6.164 1.00 11.31 C ATOM 1359 O PHE A 86 9.877 -3.331 -7.248 1.00 34.14 O ATOM 1360 CB PHE A 86 6.972 -2.642 -6.227 1.00 4.03 C ATOM 1361 CG PHE A 86 6.094 -3.716 -5.640 1.00 62.13 C ATOM 1362 CD1 PHE A 86 5.446 -3.503 -4.431 1.00 35.34 C ATOM 1363 CD2 PHE A 86 5.924 -4.936 -6.279 1.00 20.42 C ATOM 1364 CE1 PHE A 86 4.643 -4.482 -3.875 1.00 45.31 C ATOM 1365 CE2 PHE A 86 5.121 -5.919 -5.729 1.00 25.33 C ATOM 1366 CZ PHE A 86 4.483 -5.694 -4.524 1.00 73.54 C ATOM 0 H PHE A 86 8.319 -0.563 -6.298 1.00 63.10 H new ATOM 0 HA PHE A 86 8.245 -2.758 -4.492 1.00 74.33 H new ATOM 0 HB2 PHE A 86 6.461 -1.683 -6.145 1.00 4.03 H new ATOM 0 HB3 PHE A 86 7.111 -2.839 -7.290 1.00 4.03 H new ATOM 0 HD1 PHE A 86 5.571 -2.561 -3.918 1.00 35.34 H new ATOM 0 HD2 PHE A 86 6.425 -5.120 -7.218 1.00 20.42 H new ATOM 0 HE1 PHE A 86 4.141 -4.301 -2.936 1.00 45.31 H new ATOM 0 HE2 PHE A 86 4.993 -6.861 -6.241 1.00 25.33 H new ATOM 0 HZ PHE A 86 3.861 -6.462 -4.090 1.00 73.54 H new