USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 648 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 552 ASN : amide:sc= -3.31 X(o=-3.4,f=-3.8!) USER MOD Set 1.2: A 553 LYS NZ :NH3+ -155:sc= -0.0581 (180deg=0) USER MOD Single : A 486 MET CE :methyl 179:sc= 0 (180deg=-0.000817) USER MOD Single : A 487 GLN : amide:sc= -5.95! C(o=-5.9!,f=-10!) USER MOD Single : A 489 TYR OH : rot 180:sc= 0 USER MOD Single : A 503 HIS : no HD1:sc= -1.95! K(o=-2!,f=-1.2) USER MOD Single : A 510 ASN : amide:sc= -0.0453 X(o=-0.045,f=-0.031) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc=-0.00251 USER MOD Single : A 518 TYR OH : rot 180:sc= 0 USER MOD Single : A 521 ASN : amide:sc= -0.0635 X(o=-0.064,f=0) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot -55:sc= 0.0186 USER MOD Single : A 528 HIS : no HE2:sc= -0.71 K(o=-0.71,f=-1.3) USER MOD Single : A 529 SER OG : rot -87:sc= 0.145 USER MOD Single : A 530 THR OG1 : rot 180:sc= 0 USER MOD Single : A 535 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 537 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 543 GLN : amide:sc= -0.926 X(o=-0.93,f=-1.4) USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 546 THR OG1 : rot 180:sc= 0 USER MOD Single : A 548 THR OG1 : rot 180:sc= 0 USER MOD Single : A 555 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 556 ASN : amide:sc= -0.187 K(o=-0.19,f=-2.4!) USER MOD Single : A 557 MET CE :methyl -147:sc= -0.139 (180deg=-0.673) USER MOD Single : A 558 GLN : amide:sc= -1.06 K(o=-1.1,f=-2.4) USER MOD Single : A 564 GLN : amide:sc= -0.18 K(o=-0.18,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 28 N ASP A 482 3.388 -4.591 -4.864 1.00 72.53 N ATOM 29 CA ASP A 482 4.119 -4.769 -6.114 1.00 11.54 C ATOM 30 C ASP A 482 3.197 -5.283 -7.215 1.00 13.33 C ATOM 31 O ASP A 482 3.356 -4.936 -8.385 1.00 42.50 O ATOM 32 CB ASP A 482 5.285 -5.738 -5.914 1.00 1.31 C ATOM 33 CG ASP A 482 6.569 -5.237 -6.547 1.00 34.41 C ATOM 34 OD1 ASP A 482 7.319 -6.067 -7.101 1.00 60.32 O ATOM 35 OD2 ASP A 482 6.823 -4.016 -6.487 1.00 41.03 O ATOM 0 HA ASP A 482 4.511 -3.799 -6.418 1.00 11.54 H new ATOM 0 HB2 ASP A 482 5.446 -5.893 -4.847 1.00 1.31 H new ATOM 0 HB3 ASP A 482 5.026 -6.707 -6.342 1.00 1.31 H new ATOM 40 N VAL A 483 2.232 -6.113 -6.832 1.00 21.41 N ATOM 41 CA VAL A 483 1.284 -6.676 -7.786 1.00 42.23 C ATOM 42 C VAL A 483 -0.139 -6.622 -7.243 1.00 74.14 C ATOM 43 O VAL A 483 -1.082 -6.320 -7.974 1.00 35.35 O ATOM 44 CB VAL A 483 1.635 -8.135 -8.132 1.00 42.04 C ATOM 45 CG1 VAL A 483 1.745 -8.973 -6.867 1.00 52.54 C ATOM 46 CG2 VAL A 483 0.601 -8.721 -9.082 1.00 14.35 C ATOM 0 H VAL A 483 2.086 -6.410 -5.867 1.00 21.41 H new ATOM 0 HA VAL A 483 1.348 -6.071 -8.690 1.00 42.23 H new ATOM 0 HB VAL A 483 2.603 -8.148 -8.633 1.00 42.04 H new ATOM 0 HG11 VAL A 483 1.994 -10.001 -7.132 1.00 52.54 H new ATOM 0 HG12 VAL A 483 2.527 -8.564 -6.227 1.00 52.54 H new ATOM 0 HG13 VAL A 483 0.794 -8.955 -6.335 1.00 52.54 H new ATOM 0 HG21 VAL A 483 0.865 -9.752 -9.316 1.00 14.35 H new ATOM 0 HG22 VAL A 483 -0.382 -8.696 -8.611 1.00 14.35 H new ATOM 0 HG23 VAL A 483 0.578 -8.135 -10.001 1.00 14.35 H new ATOM 56 N GLY A 484 -0.288 -6.917 -5.955 1.00 65.13 N ATOM 57 CA GLY A 484 -1.600 -6.896 -5.336 1.00 24.33 C ATOM 58 C GLY A 484 -1.971 -8.231 -4.720 1.00 11.43 C ATOM 59 O GLY A 484 -3.140 -8.617 -4.717 1.00 12.54 O ATOM 0 H GLY A 484 0.477 -7.170 -5.329 1.00 65.13 H new ATOM 0 HA2 GLY A 484 -1.623 -6.125 -4.566 1.00 24.33 H new ATOM 0 HA3 GLY A 484 -2.346 -6.624 -6.082 1.00 24.33 H new ATOM 63 N ASP A 485 -0.974 -8.938 -4.199 1.00 15.44 N ATOM 64 CA ASP A 485 -1.202 -10.237 -3.578 1.00 32.35 C ATOM 65 C ASP A 485 -2.103 -10.104 -2.354 1.00 21.35 C ATOM 66 O ASP A 485 -1.628 -9.855 -1.246 1.00 34.02 O ATOM 67 CB ASP A 485 0.129 -10.876 -3.179 1.00 62.34 C ATOM 68 CG ASP A 485 0.124 -12.382 -3.355 1.00 31.22 C ATOM 69 OD1 ASP A 485 -0.689 -13.054 -2.687 1.00 33.12 O ATOM 70 OD2 ASP A 485 0.934 -12.889 -4.160 1.00 13.14 O ATOM 0 H ASP A 485 -0.001 -8.633 -4.195 1.00 15.44 H new ATOM 0 HA ASP A 485 -1.700 -10.877 -4.306 1.00 32.35 H new ATOM 0 HB2 ASP A 485 0.930 -10.446 -3.780 1.00 62.34 H new ATOM 0 HB3 ASP A 485 0.347 -10.635 -2.138 1.00 62.34 H new ATOM 75 N MET A 486 -3.405 -10.271 -2.562 1.00 62.43 N ATOM 76 CA MET A 486 -4.372 -10.170 -1.475 1.00 62.04 C ATOM 77 C MET A 486 -5.166 -11.464 -1.332 1.00 72.31 C ATOM 78 O MET A 486 -5.857 -11.884 -2.260 1.00 15.12 O ATOM 79 CB MET A 486 -5.324 -8.998 -1.719 1.00 51.32 C ATOM 80 CG MET A 486 -6.334 -8.793 -0.602 1.00 1.33 C ATOM 81 SD MET A 486 -7.409 -7.374 -0.889 1.00 73.10 S ATOM 82 CE MET A 486 -6.985 -6.339 0.509 1.00 3.34 C ATOM 0 H MET A 486 -3.815 -10.477 -3.473 1.00 62.43 H new ATOM 0 HA MET A 486 -3.824 -9.997 -0.549 1.00 62.04 H new ATOM 0 HB2 MET A 486 -4.740 -8.086 -1.842 1.00 51.32 H new ATOM 0 HB3 MET A 486 -5.858 -9.163 -2.655 1.00 51.32 H new ATOM 0 HG2 MET A 486 -6.944 -9.691 -0.499 1.00 1.33 H new ATOM 0 HG3 MET A 486 -5.804 -8.658 0.341 1.00 1.33 H new ATOM 0 HE1 MET A 486 -7.557 -5.412 0.462 1.00 3.34 H new ATOM 0 HE2 MET A 486 -7.220 -6.864 1.435 1.00 3.34 H new ATOM 0 HE3 MET A 486 -5.920 -6.110 0.482 1.00 3.34 H new ATOM 92 N GLN A 487 -5.062 -12.091 -0.165 1.00 21.41 N ATOM 93 CA GLN A 487 -5.770 -13.338 0.098 1.00 74.42 C ATOM 94 C GLN A 487 -6.056 -13.499 1.587 1.00 15.43 C ATOM 95 O GLN A 487 -5.613 -12.692 2.406 1.00 64.22 O ATOM 96 CB GLN A 487 -4.955 -14.529 -0.408 1.00 24.40 C ATOM 97 CG GLN A 487 -4.603 -14.443 -1.884 1.00 51.04 C ATOM 98 CD GLN A 487 -3.826 -15.651 -2.371 1.00 55.40 C ATOM 99 OE1 GLN A 487 -4.407 -16.687 -2.696 1.00 50.31 O ATOM 100 NE2 GLN A 487 -2.506 -15.523 -2.424 1.00 62.40 N ATOM 0 H GLN A 487 -4.494 -11.756 0.613 1.00 21.41 H new ATOM 0 HA GLN A 487 -6.721 -13.305 -0.434 1.00 74.42 H new ATOM 0 HB2 GLN A 487 -4.035 -14.602 0.172 1.00 24.40 H new ATOM 0 HB3 GLN A 487 -5.518 -15.445 -0.230 1.00 24.40 H new ATOM 0 HG2 GLN A 487 -5.519 -14.346 -2.467 1.00 51.04 H new ATOM 0 HG3 GLN A 487 -4.015 -13.542 -2.061 1.00 51.04 H new ATOM 0 HE21 GLN A 487 -2.067 -14.646 -2.145 1.00 62.40 H new ATOM 0 HE22 GLN A 487 -1.931 -16.302 -2.744 1.00 62.40 H new ATOM 109 N LEU A 488 -6.801 -14.544 1.933 1.00 45.55 N ATOM 110 CA LEU A 488 -7.147 -14.810 3.324 1.00 4.25 C ATOM 111 C LEU A 488 -6.422 -16.050 3.838 1.00 72.10 C ATOM 112 O LEU A 488 -6.735 -17.173 3.441 1.00 1.12 O ATOM 113 CB LEU A 488 -8.658 -14.992 3.469 1.00 55.12 C ATOM 114 CG LEU A 488 -9.207 -14.947 4.896 1.00 63.34 C ATOM 115 CD1 LEU A 488 -8.986 -13.574 5.510 1.00 42.44 C ATOM 116 CD2 LEU A 488 -10.685 -15.309 4.910 1.00 1.35 C ATOM 0 H LEU A 488 -7.177 -15.221 1.269 1.00 45.55 H new ATOM 0 HA LEU A 488 -6.832 -13.954 3.921 1.00 4.25 H new ATOM 0 HB2 LEU A 488 -9.155 -14.217 2.886 1.00 55.12 H new ATOM 0 HB3 LEU A 488 -8.932 -15.949 3.026 1.00 55.12 H new ATOM 0 HG LEU A 488 -8.668 -15.681 5.496 1.00 63.34 H new ATOM 0 HD11 LEU A 488 -9.383 -13.561 6.525 1.00 42.44 H new ATOM 0 HD12 LEU A 488 -7.919 -13.354 5.535 1.00 42.44 H new ATOM 0 HD13 LEU A 488 -9.498 -12.821 4.911 1.00 42.44 H new ATOM 0 HD21 LEU A 488 -11.059 -15.272 5.933 1.00 1.35 H new ATOM 0 HD22 LEU A 488 -11.239 -14.600 4.295 1.00 1.35 H new ATOM 0 HD23 LEU A 488 -10.817 -16.315 4.512 1.00 1.35 H new ATOM 128 N TYR A 489 -5.455 -15.839 4.724 1.00 61.54 N ATOM 129 CA TYR A 489 -4.686 -16.940 5.292 1.00 62.33 C ATOM 130 C TYR A 489 -5.089 -17.196 6.741 1.00 73.25 C ATOM 131 O TYR A 489 -4.876 -16.355 7.614 1.00 55.13 O ATOM 132 CB TYR A 489 -3.188 -16.638 5.213 1.00 14.35 C ATOM 133 CG TYR A 489 -2.803 -15.792 4.021 1.00 70.23 C ATOM 134 CD1 TYR A 489 -2.859 -14.405 4.080 1.00 71.21 C ATOM 135 CD2 TYR A 489 -2.382 -16.381 2.835 1.00 43.35 C ATOM 136 CE1 TYR A 489 -2.509 -13.629 2.992 1.00 23.12 C ATOM 137 CE2 TYR A 489 -2.028 -15.612 1.742 1.00 22.32 C ATOM 138 CZ TYR A 489 -2.093 -14.237 1.826 1.00 75.11 C ATOM 139 OH TYR A 489 -1.742 -13.467 0.741 1.00 71.43 O ATOM 0 H TYR A 489 -5.185 -14.916 5.064 1.00 61.54 H new ATOM 0 HA TYR A 489 -4.900 -17.837 4.711 1.00 62.33 H new ATOM 0 HB2 TYR A 489 -2.880 -16.127 6.125 1.00 14.35 H new ATOM 0 HB3 TYR A 489 -2.638 -17.578 5.173 1.00 14.35 H new ATOM 0 HD1 TYR A 489 -3.182 -13.925 4.992 1.00 71.21 H new ATOM 0 HD2 TYR A 489 -2.330 -17.458 2.766 1.00 43.35 H new ATOM 0 HE1 TYR A 489 -2.561 -12.552 3.054 1.00 23.12 H new ATOM 0 HE2 TYR A 489 -1.702 -16.085 0.828 1.00 22.32 H new ATOM 0 HH TYR A 489 -1.471 -14.049 0.001 1.00 71.43 H new ATOM 149 N ARG A 490 -5.673 -18.364 6.988 1.00 63.42 N ATOM 150 CA ARG A 490 -6.107 -18.733 8.330 1.00 52.51 C ATOM 151 C ARG A 490 -5.107 -19.681 8.984 1.00 71.40 C ATOM 152 O ARG A 490 -4.690 -20.671 8.381 1.00 33.14 O ATOM 153 CB ARG A 490 -7.489 -19.386 8.280 1.00 33.33 C ATOM 154 CG ARG A 490 -7.524 -20.678 7.481 1.00 65.44 C ATOM 155 CD ARG A 490 -7.390 -21.895 8.383 1.00 74.44 C ATOM 156 NE ARG A 490 -8.652 -22.619 8.515 1.00 61.32 N ATOM 157 CZ ARG A 490 -9.138 -23.425 7.578 1.00 73.53 C ATOM 158 NH1 ARG A 490 -8.472 -23.610 6.446 1.00 32.13 N ATOM 159 NH2 ARG A 490 -10.293 -24.049 7.772 1.00 73.33 N ATOM 0 H ARG A 490 -5.857 -19.071 6.276 1.00 63.42 H new ATOM 0 HA ARG A 490 -6.164 -17.824 8.929 1.00 52.51 H new ATOM 0 HB2 ARG A 490 -7.822 -19.589 9.298 1.00 33.33 H new ATOM 0 HB3 ARG A 490 -8.199 -18.681 7.847 1.00 33.33 H new ATOM 0 HG2 ARG A 490 -8.459 -20.738 6.924 1.00 65.44 H new ATOM 0 HG3 ARG A 490 -6.717 -20.676 6.749 1.00 65.44 H new ATOM 0 HD2 ARG A 490 -6.629 -22.563 7.980 1.00 74.44 H new ATOM 0 HD3 ARG A 490 -7.048 -21.580 9.369 1.00 74.44 H new ATOM 0 HE ARG A 490 -9.189 -22.499 9.374 1.00 61.32 H new ATOM 0 HH11 ARG A 490 -7.584 -23.133 6.293 1.00 32.13 H new ATOM 0 HH12 ARG A 490 -8.848 -24.230 5.728 1.00 32.13 H new ATOM 0 HH21 ARG A 490 -10.808 -23.910 8.641 1.00 73.33 H new ATOM 0 HH22 ARG A 490 -10.666 -24.668 7.052 1.00 73.33 H new ATOM 173 N ILE A 491 -4.726 -19.372 10.219 1.00 74.12 N ATOM 174 CA ILE A 491 -3.776 -20.197 10.954 1.00 31.40 C ATOM 175 C ILE A 491 -4.489 -21.089 11.965 1.00 13.53 C ATOM 176 O ILE A 491 -5.625 -20.818 12.353 1.00 53.32 O ATOM 177 CB ILE A 491 -2.734 -19.335 11.691 1.00 33.32 C ATOM 178 CG1 ILE A 491 -3.390 -18.587 12.854 1.00 61.22 C ATOM 179 CG2 ILE A 491 -2.079 -18.358 10.728 1.00 45.44 C ATOM 180 CD1 ILE A 491 -2.425 -17.728 13.641 1.00 63.53 C ATOM 0 H ILE A 491 -5.061 -18.556 10.731 1.00 74.12 H new ATOM 0 HA ILE A 491 -3.266 -20.820 10.220 1.00 31.40 H new ATOM 0 HB ILE A 491 -1.962 -19.990 12.094 1.00 33.32 H new ATOM 0 HG12 ILE A 491 -4.190 -17.957 12.465 1.00 61.22 H new ATOM 0 HG13 ILE A 491 -3.852 -19.310 13.526 1.00 61.22 H new ATOM 0 HG21 ILE A 491 -1.345 -17.756 11.264 1.00 45.44 H new ATOM 0 HG22 ILE A 491 -1.582 -18.911 9.931 1.00 45.44 H new ATOM 0 HG23 ILE A 491 -2.839 -17.706 10.298 1.00 45.44 H new ATOM 0 HD11 ILE A 491 -2.959 -17.228 14.449 1.00 63.53 H new ATOM 0 HD12 ILE A 491 -1.638 -18.355 14.060 1.00 63.53 H new ATOM 0 HD13 ILE A 491 -1.982 -16.981 12.982 1.00 63.53 H new ATOM 192 N GLU A 492 -3.813 -22.152 12.390 1.00 51.45 N ATOM 193 CA GLU A 492 -4.383 -23.082 13.357 1.00 24.11 C ATOM 194 C GLU A 492 -4.041 -22.661 14.783 1.00 1.34 C ATOM 195 O GLU A 492 -3.553 -23.463 15.580 1.00 42.33 O ATOM 196 CB GLU A 492 -3.871 -24.500 13.096 1.00 30.32 C ATOM 197 CG GLU A 492 -4.753 -25.585 13.692 1.00 1.32 C ATOM 198 CD GLU A 492 -5.229 -26.585 12.656 1.00 4.32 C ATOM 199 OE1 GLU A 492 -5.242 -27.795 12.962 1.00 61.34 O ATOM 200 OE2 GLU A 492 -5.588 -26.156 11.540 1.00 41.44 O ATOM 0 H GLU A 492 -2.871 -22.390 12.080 1.00 51.45 H new ATOM 0 HA GLU A 492 -5.467 -23.067 13.242 1.00 24.11 H new ATOM 0 HB2 GLU A 492 -3.793 -24.657 12.020 1.00 30.32 H new ATOM 0 HB3 GLU A 492 -2.865 -24.595 13.505 1.00 30.32 H new ATOM 0 HG2 GLU A 492 -4.200 -26.110 14.471 1.00 1.32 H new ATOM 0 HG3 GLU A 492 -5.617 -25.124 14.170 1.00 1.32 H new ATOM 207 N VAL A 493 -4.301 -21.396 15.099 1.00 44.32 N ATOM 208 CA VAL A 493 -4.022 -20.867 16.428 1.00 3.44 C ATOM 209 C VAL A 493 -5.093 -19.872 16.860 1.00 53.20 C ATOM 210 O VAL A 493 -5.604 -19.102 16.048 1.00 44.44 O ATOM 211 CB VAL A 493 -2.646 -20.177 16.481 1.00 44.34 C ATOM 212 CG1 VAL A 493 -2.205 -19.972 17.922 1.00 12.51 C ATOM 213 CG2 VAL A 493 -1.614 -20.987 15.710 1.00 54.13 C ATOM 0 H VAL A 493 -4.705 -20.719 14.452 1.00 44.32 H new ATOM 0 HA VAL A 493 -4.021 -21.716 17.112 1.00 3.44 H new ATOM 0 HB VAL A 493 -2.733 -19.198 16.010 1.00 44.34 H new ATOM 0 HG11 VAL A 493 -1.231 -19.483 17.938 1.00 12.51 H new ATOM 0 HG12 VAL A 493 -2.933 -19.348 18.440 1.00 12.51 H new ATOM 0 HG13 VAL A 493 -2.135 -20.938 18.422 1.00 12.51 H new ATOM 0 HG21 VAL A 493 -0.648 -20.485 15.758 1.00 54.13 H new ATOM 0 HG22 VAL A 493 -1.529 -21.981 16.150 1.00 54.13 H new ATOM 0 HG23 VAL A 493 -1.925 -21.076 14.669 1.00 54.13 H new ATOM 223 N GLY A 494 -5.430 -19.894 18.146 1.00 11.31 N ATOM 224 CA GLY A 494 -6.439 -18.989 18.664 1.00 14.32 C ATOM 225 C GLY A 494 -6.222 -18.654 20.126 1.00 11.34 C ATOM 226 O GLY A 494 -5.190 -18.998 20.702 1.00 3.42 O ATOM 0 H GLY A 494 -5.022 -20.522 18.838 1.00 11.31 H new ATOM 0 HA2 GLY A 494 -6.432 -18.069 18.079 1.00 14.32 H new ATOM 0 HA3 GLY A 494 -7.424 -19.439 18.540 1.00 14.32 H new ATOM 230 N ARG A 495 -7.196 -17.979 20.728 1.00 33.45 N ATOM 231 CA ARG A 495 -7.105 -17.595 22.132 1.00 73.11 C ATOM 232 C ARG A 495 -6.831 -18.811 23.012 1.00 70.21 C ATOM 233 O ARG A 495 -6.075 -18.731 23.981 1.00 74.25 O ATOM 234 CB ARG A 495 -8.397 -16.909 22.580 1.00 73.23 C ATOM 235 CG ARG A 495 -9.654 -17.689 22.229 1.00 50.35 C ATOM 236 CD ARG A 495 -10.903 -16.995 22.749 1.00 73.12 C ATOM 237 NE ARG A 495 -11.041 -17.129 24.197 1.00 43.34 N ATOM 238 CZ ARG A 495 -11.367 -18.265 24.802 1.00 33.11 C ATOM 239 NH1 ARG A 495 -11.588 -19.360 24.089 1.00 74.54 N ATOM 240 NH2 ARG A 495 -11.473 -18.307 26.124 1.00 21.31 N ATOM 0 H ARG A 495 -8.057 -17.687 20.266 1.00 33.45 H new ATOM 0 HA ARG A 495 -6.275 -16.897 22.238 1.00 73.11 H new ATOM 0 HB2 ARG A 495 -8.363 -16.758 23.659 1.00 73.23 H new ATOM 0 HB3 ARG A 495 -8.452 -15.922 22.121 1.00 73.23 H new ATOM 0 HG2 ARG A 495 -9.723 -17.802 21.147 1.00 50.35 H new ATOM 0 HG3 ARG A 495 -9.591 -18.692 22.651 1.00 50.35 H new ATOM 0 HD2 ARG A 495 -10.867 -15.938 22.485 1.00 73.12 H new ATOM 0 HD3 ARG A 495 -11.782 -17.416 22.261 1.00 73.12 H new ATOM 0 HE ARG A 495 -10.878 -16.305 24.775 1.00 43.34 H new ATOM 0 HH11 ARG A 495 -11.508 -19.332 23.073 1.00 74.54 H new ATOM 0 HH12 ARG A 495 -11.838 -20.231 24.557 1.00 74.54 H new ATOM 0 HH21 ARG A 495 -11.304 -17.466 26.676 1.00 21.31 H new ATOM 0 HH22 ARG A 495 -11.724 -19.180 26.588 1.00 21.31 H new ATOM 254 N ASP A 496 -7.450 -19.935 22.668 1.00 32.23 N ATOM 255 CA ASP A 496 -7.273 -21.168 23.426 1.00 23.32 C ATOM 256 C ASP A 496 -5.837 -21.672 23.316 1.00 1.11 C ATOM 257 O ASP A 496 -5.380 -22.462 24.143 1.00 15.41 O ATOM 258 CB ASP A 496 -8.242 -22.242 22.929 1.00 13.31 C ATOM 259 CG ASP A 496 -8.696 -23.170 24.038 1.00 32.22 C ATOM 260 OD1 ASP A 496 -8.148 -23.072 25.156 1.00 32.03 O ATOM 261 OD2 ASP A 496 -9.600 -23.995 23.788 1.00 11.44 O ATOM 0 H ASP A 496 -8.079 -20.018 21.869 1.00 32.23 H new ATOM 0 HA ASP A 496 -7.486 -20.954 24.474 1.00 23.32 H new ATOM 0 HB2 ASP A 496 -9.113 -21.763 22.481 1.00 13.31 H new ATOM 0 HB3 ASP A 496 -7.761 -22.826 22.144 1.00 13.31 H new ATOM 266 N ASP A 497 -5.131 -21.211 22.290 1.00 42.13 N ATOM 267 CA ASP A 497 -3.747 -21.614 22.071 1.00 24.41 C ATOM 268 C ASP A 497 -2.783 -20.618 22.709 1.00 71.33 C ATOM 269 O ASP A 497 -1.773 -21.005 23.295 1.00 42.31 O ATOM 270 CB ASP A 497 -3.459 -21.735 20.574 1.00 45.22 C ATOM 271 CG ASP A 497 -2.568 -22.918 20.249 1.00 72.11 C ATOM 272 OD1 ASP A 497 -1.630 -23.186 21.028 1.00 34.14 O ATOM 273 OD2 ASP A 497 -2.809 -23.576 19.215 1.00 43.34 O ATOM 0 H ASP A 497 -5.494 -20.557 21.596 1.00 42.13 H new ATOM 0 HA ASP A 497 -3.599 -22.586 22.541 1.00 24.41 H new ATOM 0 HB2 ASP A 497 -4.400 -21.833 20.033 1.00 45.22 H new ATOM 0 HB3 ASP A 497 -2.984 -20.819 20.223 1.00 45.22 H new ATOM 278 N GLY A 498 -3.103 -19.333 22.589 1.00 62.34 N ATOM 279 CA GLY A 498 -2.255 -18.302 23.157 1.00 41.31 C ATOM 280 C GLY A 498 -2.013 -17.155 22.195 1.00 14.14 C ATOM 281 O GLY A 498 -0.933 -16.564 22.181 1.00 34.11 O ATOM 0 H GLY A 498 -3.934 -18.988 22.109 1.00 62.34 H new ATOM 0 HA2 GLY A 498 -2.715 -17.918 24.067 1.00 41.31 H new ATOM 0 HA3 GLY A 498 -1.299 -18.740 23.444 1.00 41.31 H new ATOM 285 N VAL A 499 -3.021 -16.840 21.388 1.00 40.52 N ATOM 286 CA VAL A 499 -2.913 -15.756 20.418 1.00 71.31 C ATOM 287 C VAL A 499 -4.151 -14.867 20.447 1.00 72.31 C ATOM 288 O VAL A 499 -5.251 -15.328 20.751 1.00 22.32 O ATOM 289 CB VAL A 499 -2.718 -16.299 18.990 1.00 64.12 C ATOM 290 CG1 VAL A 499 -4.038 -16.797 18.422 1.00 11.30 C ATOM 291 CG2 VAL A 499 -2.111 -15.231 18.093 1.00 42.23 C ATOM 0 H VAL A 499 -3.921 -17.320 21.386 1.00 40.52 H new ATOM 0 HA VAL A 499 -2.040 -15.167 20.698 1.00 71.31 H new ATOM 0 HB VAL A 499 -2.028 -17.142 19.032 1.00 64.12 H new ATOM 0 HG11 VAL A 499 -3.880 -17.177 17.413 1.00 11.30 H new ATOM 0 HG12 VAL A 499 -4.427 -17.596 19.053 1.00 11.30 H new ATOM 0 HG13 VAL A 499 -4.754 -15.976 18.393 1.00 11.30 H new ATOM 0 HG21 VAL A 499 -1.980 -15.632 17.088 1.00 42.23 H new ATOM 0 HG22 VAL A 499 -2.774 -14.367 18.056 1.00 42.23 H new ATOM 0 HG23 VAL A 499 -1.143 -14.928 18.492 1.00 42.23 H new ATOM 301 N GLU A 500 -3.964 -13.590 20.128 1.00 60.54 N ATOM 302 CA GLU A 500 -5.067 -12.637 20.118 1.00 42.44 C ATOM 303 C GLU A 500 -5.129 -11.891 18.788 1.00 74.15 C ATOM 304 O GLU A 500 -4.404 -12.215 17.847 1.00 74.13 O ATOM 305 CB GLU A 500 -4.918 -11.638 21.268 1.00 64.53 C ATOM 306 CG GLU A 500 -4.476 -12.277 22.574 1.00 13.31 C ATOM 307 CD GLU A 500 -5.422 -13.366 23.040 1.00 75.32 C ATOM 308 OE1 GLU A 500 -6.613 -13.319 22.666 1.00 41.00 O ATOM 309 OE2 GLU A 500 -4.971 -14.267 23.778 1.00 15.14 O ATOM 0 H GLU A 500 -3.060 -13.192 19.873 1.00 60.54 H new ATOM 0 HA GLU A 500 -5.995 -13.194 20.247 1.00 42.44 H new ATOM 0 HB2 GLU A 500 -4.194 -10.874 20.983 1.00 64.53 H new ATOM 0 HB3 GLU A 500 -5.871 -11.132 21.425 1.00 64.53 H new ATOM 0 HG2 GLU A 500 -3.478 -12.697 22.449 1.00 13.31 H new ATOM 0 HG3 GLU A 500 -4.405 -11.509 23.344 1.00 13.31 H new ATOM 316 N VAL A 501 -6.002 -10.891 18.717 1.00 2.30 N ATOM 317 CA VAL A 501 -6.160 -10.098 17.503 1.00 23.24 C ATOM 318 C VAL A 501 -5.016 -9.103 17.344 1.00 22.12 C ATOM 319 O VAL A 501 -4.606 -8.786 16.227 1.00 32.23 O ATOM 320 CB VAL A 501 -7.496 -9.332 17.503 1.00 2.14 C ATOM 321 CG1 VAL A 501 -7.617 -8.469 16.257 1.00 45.32 C ATOM 322 CG2 VAL A 501 -8.665 -10.300 17.607 1.00 43.11 C ATOM 0 H VAL A 501 -6.611 -10.611 19.486 1.00 2.30 H new ATOM 0 HA VAL A 501 -6.150 -10.796 16.666 1.00 23.24 H new ATOM 0 HB VAL A 501 -7.519 -8.676 18.373 1.00 2.14 H new ATOM 0 HG11 VAL A 501 -8.567 -7.935 16.275 1.00 45.32 H new ATOM 0 HG12 VAL A 501 -6.798 -7.750 16.231 1.00 45.32 H new ATOM 0 HG13 VAL A 501 -7.573 -9.102 15.371 1.00 45.32 H new ATOM 0 HG21 VAL A 501 -9.601 -9.742 17.606 1.00 43.11 H new ATOM 0 HG22 VAL A 501 -8.649 -10.983 16.758 1.00 43.11 H new ATOM 0 HG23 VAL A 501 -8.584 -10.870 18.532 1.00 43.11 H new ATOM 332 N ARG A 502 -4.504 -8.614 18.469 1.00 45.24 N ATOM 333 CA ARG A 502 -3.407 -7.654 18.454 1.00 5.31 C ATOM 334 C ARG A 502 -2.058 -8.369 18.440 1.00 55.54 C ATOM 335 O ARG A 502 -1.006 -7.731 18.390 1.00 52.21 O ATOM 336 CB ARG A 502 -3.493 -6.730 19.671 1.00 61.05 C ATOM 337 CG ARG A 502 -3.575 -7.472 20.994 1.00 33.33 C ATOM 338 CD ARG A 502 -3.294 -6.549 22.169 1.00 13.23 C ATOM 339 NE ARG A 502 -4.015 -6.958 23.372 1.00 60.03 N ATOM 340 CZ ARG A 502 -4.205 -6.165 24.420 1.00 14.11 C ATOM 341 NH1 ARG A 502 -3.731 -4.927 24.414 1.00 54.34 N ATOM 342 NH2 ARG A 502 -4.872 -6.610 25.478 1.00 42.32 N ATOM 0 H ARG A 502 -4.831 -8.867 19.401 1.00 45.24 H new ATOM 0 HA ARG A 502 -3.492 -7.057 17.546 1.00 5.31 H new ATOM 0 HB2 ARG A 502 -2.620 -6.078 19.684 1.00 61.05 H new ATOM 0 HB3 ARG A 502 -4.369 -6.089 19.569 1.00 61.05 H new ATOM 0 HG2 ARG A 502 -4.566 -7.912 21.105 1.00 33.33 H new ATOM 0 HG3 ARG A 502 -2.859 -8.294 20.996 1.00 33.33 H new ATOM 0 HD2 ARG A 502 -2.223 -6.539 22.374 1.00 13.23 H new ATOM 0 HD3 ARG A 502 -3.578 -5.530 21.905 1.00 13.23 H new ATOM 0 HE ARG A 502 -4.393 -7.905 23.409 1.00 60.03 H new ATOM 0 HH11 ARG A 502 -3.219 -4.581 23.603 1.00 54.34 H new ATOM 0 HH12 ARG A 502 -3.879 -4.320 25.221 1.00 54.34 H new ATOM 0 HH21 ARG A 502 -5.239 -7.562 25.486 1.00 42.32 H new ATOM 0 HH22 ARG A 502 -5.018 -6.000 26.283 1.00 42.32 H new ATOM 356 N HIS A 503 -2.098 -9.697 18.484 1.00 51.52 N ATOM 357 CA HIS A 503 -0.880 -10.498 18.476 1.00 63.44 C ATOM 358 C HIS A 503 -0.381 -10.715 17.050 1.00 52.41 C ATOM 359 O HIS A 503 0.750 -10.359 16.717 1.00 31.03 O ATOM 360 CB HIS A 503 -1.127 -11.847 19.152 1.00 72.22 C ATOM 361 CG HIS A 503 0.093 -12.424 19.801 1.00 32.51 C ATOM 362 ND1 HIS A 503 1.376 -12.102 19.413 1.00 50.12 N ATOM 363 CD2 HIS A 503 0.220 -13.307 20.819 1.00 21.32 C ATOM 364 CE1 HIS A 503 2.240 -12.763 20.163 1.00 52.32 C ATOM 365 NE2 HIS A 503 1.564 -13.501 21.025 1.00 71.04 N ATOM 0 H HIS A 503 -2.960 -10.240 18.526 1.00 51.52 H new ATOM 0 HA HIS A 503 -0.115 -9.956 19.032 1.00 63.44 H new ATOM 0 HB2 HIS A 503 -1.907 -11.730 19.904 1.00 72.22 H new ATOM 0 HB3 HIS A 503 -1.502 -12.552 18.411 1.00 72.22 H new ATOM 0 HD2 HIS A 503 -0.586 -13.772 21.367 1.00 21.32 H new ATOM 0 HE1 HIS A 503 3.316 -12.709 20.085 1.00 52.32 H new ATOM 0 HE2 HIS A 503 1.973 -14.115 21.729 1.00 71.04 H new ATOM 373 N ILE A 504 -1.232 -11.300 16.213 1.00 4.43 N ATOM 374 CA ILE A 504 -0.877 -11.562 14.824 1.00 22.41 C ATOM 375 C ILE A 504 -0.797 -10.268 14.023 1.00 43.52 C ATOM 376 O ILE A 504 -0.087 -10.188 13.020 1.00 74.43 O ATOM 377 CB ILE A 504 -1.892 -12.506 14.153 1.00 62.42 C ATOM 378 CG1 ILE A 504 -3.164 -11.742 13.781 1.00 1.31 C ATOM 379 CG2 ILE A 504 -2.219 -13.673 15.073 1.00 65.44 C ATOM 380 CD1 ILE A 504 -4.003 -11.347 14.976 1.00 21.33 C ATOM 0 H ILE A 504 -2.171 -11.601 16.473 1.00 4.43 H new ATOM 0 HA ILE A 504 0.102 -12.041 14.833 1.00 22.41 H new ATOM 0 HB ILE A 504 -1.448 -12.902 13.240 1.00 62.42 H new ATOM 0 HG12 ILE A 504 -2.890 -10.844 13.227 1.00 1.31 H new ATOM 0 HG13 ILE A 504 -3.766 -12.358 13.112 1.00 1.31 H new ATOM 0 HG21 ILE A 504 -2.938 -14.331 14.585 1.00 65.44 H new ATOM 0 HG22 ILE A 504 -1.308 -14.230 15.292 1.00 65.44 H new ATOM 0 HG23 ILE A 504 -2.646 -13.295 16.002 1.00 65.44 H new ATOM 0 HD11 ILE A 504 -4.888 -10.809 14.637 1.00 21.33 H new ATOM 0 HD12 ILE A 504 -4.308 -12.242 15.519 1.00 21.33 H new ATOM 0 HD13 ILE A 504 -3.418 -10.705 15.635 1.00 21.33 H new ATOM 392 N VAL A 505 -1.528 -9.253 14.473 1.00 2.14 N ATOM 393 CA VAL A 505 -1.538 -7.959 13.800 1.00 24.55 C ATOM 394 C VAL A 505 -0.307 -7.139 14.169 1.00 3.11 C ATOM 395 O VAL A 505 0.473 -6.747 13.302 1.00 25.13 O ATOM 396 CB VAL A 505 -2.802 -7.154 14.152 1.00 53.43 C ATOM 397 CG1 VAL A 505 -2.686 -5.726 13.639 1.00 60.54 C ATOM 398 CG2 VAL A 505 -4.040 -7.833 13.586 1.00 15.13 C ATOM 0 H VAL A 505 -2.121 -9.302 15.301 1.00 2.14 H new ATOM 0 HA VAL A 505 -1.530 -8.159 12.728 1.00 24.55 H new ATOM 0 HB VAL A 505 -2.899 -7.118 15.237 1.00 53.43 H new ATOM 0 HG11 VAL A 505 -3.589 -5.172 13.897 1.00 60.54 H new ATOM 0 HG12 VAL A 505 -1.822 -5.244 14.096 1.00 60.54 H new ATOM 0 HG13 VAL A 505 -2.565 -5.737 12.556 1.00 60.54 H new ATOM 0 HG21 VAL A 505 -4.924 -7.251 13.844 1.00 15.13 H new ATOM 0 HG22 VAL A 505 -3.954 -7.901 12.502 1.00 15.13 H new ATOM 0 HG23 VAL A 505 -4.130 -8.835 14.006 1.00 15.13 H new ATOM 408 N GLY A 506 -0.139 -6.882 15.463 1.00 63.51 N ATOM 409 CA GLY A 506 1.000 -6.110 15.924 1.00 11.13 C ATOM 410 C GLY A 506 2.323 -6.733 15.526 1.00 21.11 C ATOM 411 O GLY A 506 3.350 -6.056 15.490 1.00 11.22 O ATOM 0 H GLY A 506 -0.771 -7.195 16.200 1.00 63.51 H new ATOM 0 HA2 GLY A 506 0.940 -5.101 15.516 1.00 11.13 H new ATOM 0 HA3 GLY A 506 0.957 -6.018 17.009 1.00 11.13 H new ATOM 415 N ALA A 507 2.300 -8.028 15.228 1.00 55.01 N ATOM 416 CA ALA A 507 3.506 -8.742 14.830 1.00 23.33 C ATOM 417 C ALA A 507 3.862 -8.452 13.376 1.00 3.23 C ATOM 418 O ALA A 507 4.954 -7.964 13.080 1.00 34.14 O ATOM 419 CB ALA A 507 3.328 -10.238 15.043 1.00 23.34 C ATOM 0 H ALA A 507 1.459 -8.604 15.255 1.00 55.01 H new ATOM 0 HA ALA A 507 4.328 -8.392 15.454 1.00 23.33 H new ATOM 0 HB1 ALA A 507 4.237 -10.759 14.741 1.00 23.34 H new ATOM 0 HB2 ALA A 507 3.130 -10.434 16.097 1.00 23.34 H new ATOM 0 HB3 ALA A 507 2.490 -10.594 14.444 1.00 23.34 H new ATOM 425 N ILE A 508 2.936 -8.755 12.473 1.00 30.03 N ATOM 426 CA ILE A 508 3.153 -8.526 11.050 1.00 0.43 C ATOM 427 C ILE A 508 3.190 -7.035 10.733 1.00 13.51 C ATOM 428 O ILE A 508 3.703 -6.623 9.693 1.00 21.31 O ATOM 429 CB ILE A 508 2.057 -9.193 10.199 1.00 61.32 C ATOM 430 CG1 ILE A 508 0.689 -8.593 10.528 1.00 53.15 C ATOM 431 CG2 ILE A 508 2.051 -10.697 10.428 1.00 34.34 C ATOM 432 CD1 ILE A 508 0.301 -7.442 9.626 1.00 45.14 C ATOM 0 H ILE A 508 2.028 -9.160 12.701 1.00 30.03 H new ATOM 0 HA ILE A 508 4.116 -8.972 10.802 1.00 0.43 H new ATOM 0 HB ILE A 508 2.271 -9.006 9.147 1.00 61.32 H new ATOM 0 HG12 ILE A 508 -0.068 -9.373 10.454 1.00 53.15 H new ATOM 0 HG13 ILE A 508 0.692 -8.249 11.562 1.00 53.15 H new ATOM 0 HG21 ILE A 508 1.271 -11.155 9.820 1.00 34.34 H new ATOM 0 HG22 ILE A 508 3.019 -11.112 10.148 1.00 34.34 H new ATOM 0 HG23 ILE A 508 1.858 -10.904 11.481 1.00 34.34 H new ATOM 0 HD11 ILE A 508 -0.680 -7.066 9.917 1.00 45.14 H new ATOM 0 HD12 ILE A 508 1.037 -6.644 9.718 1.00 45.14 H new ATOM 0 HD13 ILE A 508 0.266 -7.786 8.592 1.00 45.14 H new ATOM 444 N ALA A 509 2.643 -6.229 11.638 1.00 71.11 N ATOM 445 CA ALA A 509 2.616 -4.783 11.457 1.00 65.13 C ATOM 446 C ALA A 509 3.879 -4.136 12.017 1.00 72.42 C ATOM 447 O ALA A 509 4.195 -2.991 11.697 1.00 32.25 O ATOM 448 CB ALA A 509 1.380 -4.191 12.117 1.00 2.11 C ATOM 0 H ALA A 509 2.213 -6.554 12.504 1.00 71.11 H new ATOM 0 HA ALA A 509 2.577 -4.576 10.387 1.00 65.13 H new ATOM 0 HB1 ALA A 509 1.373 -3.110 11.974 1.00 2.11 H new ATOM 0 HB2 ALA A 509 0.486 -4.622 11.667 1.00 2.11 H new ATOM 0 HB3 ALA A 509 1.394 -4.415 13.184 1.00 2.11 H new ATOM 454 N ASN A 510 4.596 -4.878 12.854 1.00 24.14 N ATOM 455 CA ASN A 510 5.824 -4.376 13.460 1.00 2.42 C ATOM 456 C ASN A 510 7.051 -4.916 12.732 1.00 51.05 C ATOM 457 O ASN A 510 8.122 -4.312 12.768 1.00 42.20 O ATOM 458 CB ASN A 510 5.884 -4.763 14.939 1.00 33.40 C ATOM 459 CG ASN A 510 7.172 -4.317 15.602 1.00 22.04 C ATOM 460 OD1 ASN A 510 7.893 -5.124 16.190 1.00 13.13 O ATOM 461 ND2 ASN A 510 7.468 -3.026 15.511 1.00 41.30 N ATOM 0 H ASN A 510 4.348 -5.829 13.128 1.00 24.14 H new ATOM 0 HA ASN A 510 5.822 -3.289 13.375 1.00 2.42 H new ATOM 0 HB2 ASN A 510 5.037 -4.320 15.462 1.00 33.40 H new ATOM 0 HB3 ASN A 510 5.786 -5.845 15.033 1.00 33.40 H new ATOM 0 HD21 ASN A 510 8.322 -2.667 15.938 1.00 41.30 H new ATOM 0 HD22 ASN A 510 6.841 -2.393 15.014 1.00 41.30 H new ATOM 468 N GLU A 511 6.885 -6.057 12.070 1.00 32.22 N ATOM 469 CA GLU A 511 7.979 -6.679 11.333 1.00 10.44 C ATOM 470 C GLU A 511 8.312 -5.879 10.077 1.00 4.43 C ATOM 471 O GLU A 511 9.480 -5.704 9.731 1.00 71.20 O ATOM 472 CB GLU A 511 7.617 -8.116 10.955 1.00 73.15 C ATOM 473 CG GLU A 511 6.554 -8.211 9.873 1.00 71.12 C ATOM 474 CD GLU A 511 6.161 -9.643 9.565 1.00 10.11 C ATOM 475 OE1 GLU A 511 5.589 -9.882 8.481 1.00 12.03 O ATOM 476 OE2 GLU A 511 6.426 -10.525 10.409 1.00 43.40 O ATOM 0 H GLU A 511 6.004 -6.569 12.029 1.00 32.22 H new ATOM 0 HA GLU A 511 8.857 -6.692 11.978 1.00 10.44 H new ATOM 0 HB2 GLU A 511 8.516 -8.631 10.616 1.00 73.15 H new ATOM 0 HB3 GLU A 511 7.266 -8.639 11.844 1.00 73.15 H new ATOM 0 HG2 GLU A 511 5.670 -7.655 10.187 1.00 71.12 H new ATOM 0 HG3 GLU A 511 6.923 -7.736 8.964 1.00 71.12 H new ATOM 483 N GLY A 512 7.276 -5.395 9.398 1.00 5.24 N ATOM 484 CA GLY A 512 7.479 -4.620 8.188 1.00 24.02 C ATOM 485 C GLY A 512 6.907 -3.220 8.293 1.00 20.41 C ATOM 486 O GLY A 512 7.125 -2.526 9.286 1.00 44.11 O ATOM 0 H GLY A 512 6.300 -5.526 9.664 1.00 5.24 H new ATOM 0 HA2 GLY A 512 8.546 -4.558 7.975 1.00 24.02 H new ATOM 0 HA3 GLY A 512 7.015 -5.136 7.347 1.00 24.02 H new ATOM 490 N ASP A 513 6.174 -2.804 7.266 1.00 30.34 N ATOM 491 CA ASP A 513 5.569 -1.478 7.247 1.00 51.43 C ATOM 492 C ASP A 513 4.059 -1.566 7.446 1.00 70.04 C ATOM 493 O ASP A 513 3.394 -0.556 7.679 1.00 72.33 O ATOM 494 CB ASP A 513 5.881 -0.771 5.927 1.00 44.40 C ATOM 495 CG ASP A 513 7.151 0.055 5.999 1.00 61.32 C ATOM 496 OD1 ASP A 513 7.127 1.222 5.554 1.00 35.34 O ATOM 497 OD2 ASP A 513 8.169 -0.466 6.500 1.00 21.12 O ATOM 0 H ASP A 513 5.985 -3.366 6.436 1.00 30.34 H new ATOM 0 HA ASP A 513 5.993 -0.901 8.069 1.00 51.43 H new ATOM 0 HB2 ASP A 513 5.978 -1.513 5.135 1.00 44.40 H new ATOM 0 HB3 ASP A 513 5.045 -0.125 5.658 1.00 44.40 H new ATOM 502 N ILE A 514 3.525 -2.779 7.351 1.00 51.00 N ATOM 503 CA ILE A 514 2.094 -2.998 7.521 1.00 70.44 C ATOM 504 C ILE A 514 1.590 -2.366 8.813 1.00 2.14 C ATOM 505 O ILE A 514 2.286 -2.367 9.829 1.00 14.21 O ATOM 506 CB ILE A 514 1.752 -4.500 7.530 1.00 71.13 C ATOM 507 CG1 ILE A 514 2.188 -5.153 6.216 1.00 10.33 C ATOM 508 CG2 ILE A 514 0.262 -4.702 7.759 1.00 75.42 C ATOM 509 CD1 ILE A 514 2.593 -6.602 6.367 1.00 35.41 C ATOM 0 H ILE A 514 4.061 -3.625 7.157 1.00 51.00 H new ATOM 0 HA ILE A 514 1.600 -2.526 6.672 1.00 70.44 H new ATOM 0 HB ILE A 514 2.294 -4.976 8.347 1.00 71.13 H new ATOM 0 HG12 ILE A 514 1.371 -5.085 5.498 1.00 10.33 H new ATOM 0 HG13 ILE A 514 3.025 -4.592 5.801 1.00 10.33 H new ATOM 0 HG21 ILE A 514 0.036 -5.768 7.763 1.00 75.42 H new ATOM 0 HG22 ILE A 514 -0.021 -4.268 8.718 1.00 75.42 H new ATOM 0 HG23 ILE A 514 -0.298 -4.215 6.961 1.00 75.42 H new ATOM 0 HD11 ILE A 514 2.890 -7.000 5.397 1.00 35.41 H new ATOM 0 HD12 ILE A 514 3.431 -6.675 7.061 1.00 35.41 H new ATOM 0 HD13 ILE A 514 1.751 -7.177 6.753 1.00 35.41 H new ATOM 521 N SER A 515 0.376 -1.828 8.768 1.00 14.24 N ATOM 522 CA SER A 515 -0.221 -1.190 9.936 1.00 55.32 C ATOM 523 C SER A 515 -1.462 -1.950 10.395 1.00 2.15 C ATOM 524 O SER A 515 -1.955 -2.836 9.697 1.00 3.22 O ATOM 525 CB SER A 515 -0.587 0.262 9.619 1.00 72.42 C ATOM 526 OG SER A 515 -0.484 1.077 10.773 1.00 15.21 O ATOM 0 H SER A 515 -0.214 -1.821 7.936 1.00 14.24 H new ATOM 0 HA SER A 515 0.512 -1.205 10.742 1.00 55.32 H new ATOM 0 HB2 SER A 515 0.072 0.645 8.840 1.00 72.42 H new ATOM 0 HB3 SER A 515 -1.603 0.307 9.228 1.00 72.42 H new ATOM 0 HG SER A 515 -0.721 2.000 10.544 1.00 15.21 H new ATOM 532 N SER A 516 -1.961 -1.597 11.576 1.00 51.34 N ATOM 533 CA SER A 516 -3.142 -2.247 12.132 1.00 64.41 C ATOM 534 C SER A 516 -4.373 -1.960 11.278 1.00 31.33 C ATOM 535 O SER A 516 -5.343 -2.719 11.293 1.00 45.02 O ATOM 536 CB SER A 516 -3.381 -1.776 13.568 1.00 41.05 C ATOM 537 OG SER A 516 -4.166 -2.711 14.287 1.00 54.41 O ATOM 0 H SER A 516 -1.566 -0.865 12.166 1.00 51.34 H new ATOM 0 HA SER A 516 -2.967 -3.323 12.135 1.00 64.41 H new ATOM 0 HB2 SER A 516 -2.425 -1.635 14.072 1.00 41.05 H new ATOM 0 HB3 SER A 516 -3.881 -0.808 13.558 1.00 41.05 H new ATOM 0 HG SER A 516 -4.303 -2.388 15.202 1.00 54.41 H new ATOM 543 N ARG A 517 -4.327 -0.859 10.535 1.00 23.25 N ATOM 544 CA ARG A 517 -5.438 -0.470 9.676 1.00 13.01 C ATOM 545 C ARG A 517 -5.231 -0.982 8.254 1.00 71.32 C ATOM 546 O ARG A 517 -6.177 -1.415 7.595 1.00 30.31 O ATOM 547 CB ARG A 517 -5.593 1.052 9.664 1.00 22.10 C ATOM 548 CG ARG A 517 -4.364 1.785 9.151 1.00 21.22 C ATOM 549 CD ARG A 517 -4.523 2.186 7.693 1.00 2.21 C ATOM 550 NE ARG A 517 -3.881 3.466 7.405 1.00 64.25 N ATOM 551 CZ ARG A 517 -3.788 3.983 6.184 1.00 24.25 C ATOM 552 NH1 ARG A 517 -4.293 3.333 5.145 1.00 31.02 N ATOM 553 NH2 ARG A 517 -3.188 5.153 6.002 1.00 33.52 N ATOM 0 H ARG A 517 -3.532 -0.221 10.511 1.00 23.25 H new ATOM 0 HA ARG A 517 -6.348 -0.918 10.076 1.00 13.01 H new ATOM 0 HB2 ARG A 517 -6.449 1.317 9.043 1.00 22.10 H new ATOM 0 HB3 ARG A 517 -5.814 1.394 10.675 1.00 22.10 H new ATOM 0 HG2 ARG A 517 -4.190 2.674 9.757 1.00 21.22 H new ATOM 0 HG3 ARG A 517 -3.487 1.148 9.261 1.00 21.22 H new ATOM 0 HD2 ARG A 517 -4.093 1.413 7.055 1.00 2.21 H new ATOM 0 HD3 ARG A 517 -5.583 2.249 7.448 1.00 2.21 H new ATOM 0 HE ARG A 517 -3.482 3.992 8.183 1.00 64.25 H new ATOM 0 HH11 ARG A 517 -4.754 2.434 5.281 1.00 31.02 H new ATOM 0 HH12 ARG A 517 -4.220 3.732 4.209 1.00 31.02 H new ATOM 0 HH21 ARG A 517 -2.798 5.656 6.799 1.00 33.52 H new ATOM 0 HH22 ARG A 517 -3.117 5.549 5.065 1.00 33.52 H new ATOM 567 N TYR A 518 -3.989 -0.929 7.787 1.00 62.23 N ATOM 568 CA TYR A 518 -3.658 -1.385 6.442 1.00 41.12 C ATOM 569 C TYR A 518 -4.127 -2.820 6.222 1.00 24.00 C ATOM 570 O TYR A 518 -4.558 -3.183 5.127 1.00 14.24 O ATOM 571 CB TYR A 518 -2.150 -1.287 6.204 1.00 10.11 C ATOM 572 CG TYR A 518 -1.785 -0.632 4.891 1.00 13.21 C ATOM 573 CD1 TYR A 518 -0.958 -1.274 3.978 1.00 75.53 C ATOM 574 CD2 TYR A 518 -2.266 0.630 4.564 1.00 33.12 C ATOM 575 CE1 TYR A 518 -0.622 -0.680 2.777 1.00 1.41 C ATOM 576 CE2 TYR A 518 -1.936 1.232 3.365 1.00 32.34 C ATOM 577 CZ TYR A 518 -1.114 0.573 2.475 1.00 4.24 C ATOM 578 OH TYR A 518 -0.781 1.170 1.281 1.00 73.12 O ATOM 0 H TYR A 518 -3.195 -0.575 8.320 1.00 62.23 H new ATOM 0 HA TYR A 518 -4.174 -0.740 5.730 1.00 41.12 H new ATOM 0 HB2 TYR A 518 -1.698 -0.723 7.020 1.00 10.11 H new ATOM 0 HB3 TYR A 518 -1.720 -2.288 6.233 1.00 10.11 H new ATOM 0 HD1 TYR A 518 -0.571 -2.255 4.211 1.00 75.53 H new ATOM 0 HD2 TYR A 518 -2.909 1.149 5.259 1.00 33.12 H new ATOM 0 HE1 TYR A 518 0.022 -1.193 2.079 1.00 1.41 H new ATOM 0 HE2 TYR A 518 -2.320 2.213 3.126 1.00 32.34 H new ATOM 0 HH TYR A 518 -1.211 2.049 1.224 1.00 73.12 H new ATOM 588 N ILE A 519 -4.038 -3.631 7.271 1.00 75.24 N ATOM 589 CA ILE A 519 -4.455 -5.026 7.194 1.00 42.01 C ATOM 590 C ILE A 519 -5.930 -5.140 6.824 1.00 43.12 C ATOM 591 O ILE A 519 -6.749 -4.321 7.238 1.00 74.25 O ATOM 592 CB ILE A 519 -4.213 -5.760 8.526 1.00 13.33 C ATOM 593 CG1 ILE A 519 -2.730 -5.712 8.898 1.00 1.04 C ATOM 594 CG2 ILE A 519 -4.696 -7.200 8.433 1.00 4.41 C ATOM 595 CD1 ILE A 519 -2.483 -5.623 10.388 1.00 12.31 C ATOM 0 H ILE A 519 -3.681 -3.347 8.183 1.00 75.24 H new ATOM 0 HA ILE A 519 -3.851 -5.493 6.416 1.00 42.01 H new ATOM 0 HB ILE A 519 -4.781 -5.257 9.309 1.00 13.33 H new ATOM 0 HG12 ILE A 519 -2.237 -6.603 8.509 1.00 1.04 H new ATOM 0 HG13 ILE A 519 -2.269 -4.854 8.410 1.00 1.04 H new ATOM 0 HG21 ILE A 519 -4.518 -7.705 9.382 1.00 4.41 H new ATOM 0 HG22 ILE A 519 -5.763 -7.212 8.210 1.00 4.41 H new ATOM 0 HG23 ILE A 519 -4.154 -7.715 7.640 1.00 4.41 H new ATOM 0 HD11 ILE A 519 -1.410 -5.593 10.578 1.00 12.31 H new ATOM 0 HD12 ILE A 519 -2.947 -4.718 10.780 1.00 12.31 H new ATOM 0 HD13 ILE A 519 -2.914 -6.494 10.881 1.00 12.31 H new ATOM 607 N GLY A 520 -6.261 -6.163 6.042 1.00 62.30 N ATOM 608 CA GLY A 520 -7.637 -6.367 5.630 1.00 34.24 C ATOM 609 C GLY A 520 -8.508 -6.889 6.756 1.00 11.43 C ATOM 610 O GLY A 520 -8.634 -6.249 7.800 1.00 62.14 O ATOM 0 H GLY A 520 -5.600 -6.854 5.687 1.00 62.30 H new ATOM 0 HA2 GLY A 520 -8.047 -5.426 5.264 1.00 34.24 H new ATOM 0 HA3 GLY A 520 -7.663 -7.071 4.798 1.00 34.24 H new ATOM 614 N ASN A 521 -9.112 -8.053 6.544 1.00 34.23 N ATOM 615 CA ASN A 521 -9.978 -8.659 7.549 1.00 31.34 C ATOM 616 C ASN A 521 -9.198 -9.640 8.420 1.00 43.33 C ATOM 617 O ASN A 521 -8.516 -10.530 7.911 1.00 74.40 O ATOM 618 CB ASN A 521 -11.150 -9.378 6.877 1.00 3.31 C ATOM 619 CG ASN A 521 -11.969 -8.451 6.000 1.00 72.45 C ATOM 620 OD1 ASN A 521 -12.994 -7.919 6.427 1.00 44.34 O ATOM 621 ND2 ASN A 521 -11.520 -8.256 4.765 1.00 14.52 N ATOM 0 H ASN A 521 -9.018 -8.596 5.686 1.00 34.23 H new ATOM 0 HA ASN A 521 -10.365 -7.863 8.185 1.00 31.34 H new ATOM 0 HB2 ASN A 521 -10.770 -10.203 6.274 1.00 3.31 H new ATOM 0 HB3 ASN A 521 -11.793 -9.813 7.642 1.00 3.31 H new ATOM 0 HD21 ASN A 521 -12.030 -7.644 4.128 1.00 14.52 H new ATOM 0 HD22 ASN A 521 -10.665 -8.718 4.454 1.00 14.52 H new ATOM 628 N ILE A 522 -9.303 -9.469 9.733 1.00 23.33 N ATOM 629 CA ILE A 522 -8.609 -10.340 10.674 1.00 45.11 C ATOM 630 C ILE A 522 -9.587 -10.993 11.644 1.00 54.12 C ATOM 631 O ILE A 522 -10.413 -10.318 12.259 1.00 51.11 O ATOM 632 CB ILE A 522 -7.546 -9.567 11.477 1.00 21.03 C ATOM 633 CG1 ILE A 522 -6.699 -8.701 10.543 1.00 43.11 C ATOM 634 CG2 ILE A 522 -6.666 -10.532 12.257 1.00 65.42 C ATOM 635 CD1 ILE A 522 -6.948 -7.217 10.703 1.00 61.45 C ATOM 0 H ILE A 522 -9.862 -8.736 10.170 1.00 23.33 H new ATOM 0 HA ILE A 522 -8.117 -11.113 10.084 1.00 45.11 H new ATOM 0 HB ILE A 522 -8.053 -8.913 12.187 1.00 21.03 H new ATOM 0 HG12 ILE A 522 -5.644 -8.906 10.727 1.00 43.11 H new ATOM 0 HG13 ILE A 522 -6.904 -8.986 9.511 1.00 43.11 H new ATOM 0 HG21 ILE A 522 -5.920 -9.971 12.819 1.00 65.42 H new ATOM 0 HG22 ILE A 522 -7.282 -11.109 12.947 1.00 65.42 H new ATOM 0 HG23 ILE A 522 -6.165 -11.209 11.565 1.00 65.42 H new ATOM 0 HD11 ILE A 522 -6.314 -6.665 10.010 1.00 61.45 H new ATOM 0 HD12 ILE A 522 -7.994 -6.999 10.490 1.00 61.45 H new ATOM 0 HD13 ILE A 522 -6.716 -6.917 11.725 1.00 61.45 H new ATOM 647 N LYS A 523 -9.489 -12.311 11.777 1.00 25.24 N ATOM 648 CA LYS A 523 -10.362 -13.057 12.675 1.00 74.41 C ATOM 649 C LYS A 523 -9.564 -13.688 13.812 1.00 54.22 C ATOM 650 O LYS A 523 -8.374 -13.968 13.667 1.00 3.02 O ATOM 651 CB LYS A 523 -11.114 -14.143 11.902 1.00 71.41 C ATOM 652 CG LYS A 523 -12.148 -14.879 12.737 1.00 62.33 C ATOM 653 CD LYS A 523 -12.935 -15.874 11.900 1.00 41.10 C ATOM 654 CE LYS A 523 -13.261 -17.132 12.690 1.00 61.10 C ATOM 655 NZ LYS A 523 -13.172 -18.356 11.846 1.00 41.42 N ATOM 0 H LYS A 523 -8.813 -12.885 11.274 1.00 25.24 H new ATOM 0 HA LYS A 523 -11.081 -12.359 13.104 1.00 74.41 H new ATOM 0 HB2 LYS A 523 -11.609 -13.689 11.043 1.00 71.41 H new ATOM 0 HB3 LYS A 523 -10.395 -14.863 11.512 1.00 71.41 H new ATOM 0 HG2 LYS A 523 -11.652 -15.402 13.554 1.00 62.33 H new ATOM 0 HG3 LYS A 523 -12.832 -14.160 13.188 1.00 62.33 H new ATOM 0 HD2 LYS A 523 -13.859 -15.410 11.555 1.00 41.10 H new ATOM 0 HD3 LYS A 523 -12.361 -16.139 11.012 1.00 41.10 H new ATOM 0 HE2 LYS A 523 -12.574 -17.221 13.532 1.00 61.10 H new ATOM 0 HE3 LYS A 523 -14.265 -17.050 13.106 1.00 61.10 H new ATOM 0 HZ1 LYS A 523 -13.401 -19.192 12.421 1.00 41.42 H new ATOM 0 HZ2 LYS A 523 -13.846 -18.283 11.057 1.00 41.42 H new ATOM 0 HZ3 LYS A 523 -12.207 -18.449 11.470 1.00 41.42 H new ATOM 669 N LEU A 524 -10.227 -13.910 14.941 1.00 12.34 N ATOM 670 CA LEU A 524 -9.580 -14.509 16.103 1.00 23.03 C ATOM 671 C LEU A 524 -10.524 -15.472 16.816 1.00 4.03 C ATOM 672 O LEU A 524 -11.290 -15.072 17.693 1.00 50.32 O ATOM 673 CB LEU A 524 -9.117 -13.420 17.072 1.00 4.42 C ATOM 674 CG LEU A 524 -8.120 -13.856 18.146 1.00 24.22 C ATOM 675 CD1 LEU A 524 -8.811 -14.702 19.204 1.00 20.30 C ATOM 676 CD2 LEU A 524 -6.963 -14.622 17.520 1.00 1.25 C ATOM 0 H LEU A 524 -11.212 -13.684 15.077 1.00 12.34 H new ATOM 0 HA LEU A 524 -8.713 -15.070 15.755 1.00 23.03 H new ATOM 0 HB2 LEU A 524 -8.667 -12.614 16.493 1.00 4.42 H new ATOM 0 HB3 LEU A 524 -9.995 -13.005 17.567 1.00 4.42 H new ATOM 0 HG LEU A 524 -7.721 -12.963 18.628 1.00 24.22 H new ATOM 0 HD11 LEU A 524 -8.086 -15.003 19.960 1.00 20.30 H new ATOM 0 HD12 LEU A 524 -9.604 -14.121 19.674 1.00 20.30 H new ATOM 0 HD13 LEU A 524 -9.239 -15.590 18.738 1.00 20.30 H new ATOM 0 HD21 LEU A 524 -6.263 -14.925 18.299 1.00 1.25 H new ATOM 0 HD22 LEU A 524 -7.345 -15.507 17.012 1.00 1.25 H new ATOM 0 HD23 LEU A 524 -6.451 -13.983 16.800 1.00 1.25 H new ATOM 688 N PHE A 525 -10.461 -16.744 16.436 1.00 12.21 N ATOM 689 CA PHE A 525 -11.309 -17.765 17.040 1.00 54.31 C ATOM 690 C PHE A 525 -10.609 -18.422 18.226 1.00 72.14 C ATOM 691 O PHE A 525 -9.592 -17.928 18.711 1.00 62.41 O ATOM 692 CB PHE A 525 -11.684 -18.825 16.003 1.00 74.34 C ATOM 693 CG PHE A 525 -13.160 -19.097 15.929 1.00 2.32 C ATOM 694 CD1 PHE A 525 -13.647 -20.388 16.052 1.00 10.13 C ATOM 695 CD2 PHE A 525 -14.060 -18.061 15.738 1.00 44.42 C ATOM 696 CE1 PHE A 525 -15.004 -20.640 15.984 1.00 32.33 C ATOM 697 CE2 PHE A 525 -15.418 -18.307 15.669 1.00 0.14 C ATOM 698 CZ PHE A 525 -15.891 -19.598 15.794 1.00 62.51 C ATOM 0 H PHE A 525 -9.832 -17.092 15.713 1.00 12.21 H new ATOM 0 HA PHE A 525 -12.217 -17.281 17.400 1.00 54.31 H new ATOM 0 HB2 PHE A 525 -11.333 -18.503 15.023 1.00 74.34 H new ATOM 0 HB3 PHE A 525 -11.163 -19.753 16.239 1.00 74.34 H new ATOM 0 HD1 PHE A 525 -12.959 -21.206 16.203 1.00 10.13 H new ATOM 0 HD2 PHE A 525 -13.696 -17.049 15.642 1.00 44.42 H new ATOM 0 HE1 PHE A 525 -15.371 -21.651 16.079 1.00 32.33 H new ATOM 0 HE2 PHE A 525 -16.108 -17.490 15.517 1.00 0.14 H new ATOM 0 HZ PHE A 525 -16.952 -19.793 15.743 1.00 62.51 H new ATOM 708 N ALA A 526 -11.163 -19.539 18.687 1.00 4.21 N ATOM 709 CA ALA A 526 -10.591 -20.265 19.814 1.00 35.05 C ATOM 710 C ALA A 526 -9.249 -20.886 19.444 1.00 70.31 C ATOM 711 O ALA A 526 -8.289 -20.815 20.211 1.00 63.43 O ATOM 712 CB ALA A 526 -11.557 -21.338 20.295 1.00 72.22 C ATOM 0 H ALA A 526 -12.006 -19.960 18.298 1.00 4.21 H new ATOM 0 HA ALA A 526 -10.421 -19.555 20.623 1.00 35.05 H new ATOM 0 HB1 ALA A 526 -11.117 -21.873 21.137 1.00 72.22 H new ATOM 0 HB2 ALA A 526 -12.491 -20.872 20.609 1.00 72.22 H new ATOM 0 HB3 ALA A 526 -11.756 -22.039 19.484 1.00 72.22 H new ATOM 718 N SER A 527 -9.190 -21.496 18.264 1.00 3.31 N ATOM 719 CA SER A 527 -7.966 -22.134 17.794 1.00 4.30 C ATOM 720 C SER A 527 -7.723 -21.824 16.320 1.00 10.20 C ATOM 721 O SER A 527 -7.205 -22.657 15.575 1.00 14.04 O ATOM 722 CB SER A 527 -8.042 -23.647 18.003 1.00 62.42 C ATOM 723 OG SER A 527 -6.747 -24.222 18.044 1.00 32.22 O ATOM 0 H SER A 527 -9.975 -21.562 17.616 1.00 3.31 H new ATOM 0 HA SER A 527 -7.133 -21.736 18.373 1.00 4.30 H new ATOM 0 HB2 SER A 527 -8.569 -23.863 18.933 1.00 62.42 H new ATOM 0 HB3 SER A 527 -8.619 -24.100 17.197 1.00 62.42 H new ATOM 0 HG SER A 527 -6.256 -23.982 17.230 1.00 32.22 H new ATOM 729 N HIS A 528 -8.101 -20.619 15.905 1.00 11.21 N ATOM 730 CA HIS A 528 -7.925 -20.197 14.520 1.00 4.00 C ATOM 731 C HIS A 528 -7.898 -18.675 14.415 1.00 62.12 C ATOM 732 O HIS A 528 -8.351 -17.973 15.318 1.00 2.34 O ATOM 733 CB HIS A 528 -9.046 -20.761 13.646 1.00 3.54 C ATOM 734 CG HIS A 528 -8.744 -22.116 13.084 1.00 5.54 C ATOM 735 ND1 HIS A 528 -7.965 -22.309 11.963 1.00 4.40 N ATOM 736 CD2 HIS A 528 -9.119 -23.349 13.497 1.00 51.23 C ATOM 737 CE1 HIS A 528 -7.876 -23.602 11.709 1.00 44.12 C ATOM 738 NE2 HIS A 528 -8.567 -24.255 12.625 1.00 30.22 N ATOM 0 H HIS A 528 -8.531 -19.918 16.508 1.00 11.21 H new ATOM 0 HA HIS A 528 -6.970 -20.585 14.167 1.00 4.00 H new ATOM 0 HB2 HIS A 528 -9.961 -20.817 14.235 1.00 3.54 H new ATOM 0 HB3 HIS A 528 -9.237 -20.071 12.825 1.00 3.54 H new ATOM 0 HD1 HIS A 528 -7.526 -21.569 11.415 1.00 4.40 H new ATOM 0 HD2 HIS A 528 -9.737 -23.578 14.353 1.00 51.23 H new ATOM 0 HE1 HIS A 528 -7.331 -24.049 10.891 1.00 44.12 H new ATOM 746 N SER A 529 -7.363 -18.173 13.306 1.00 12.34 N ATOM 747 CA SER A 529 -7.273 -16.734 13.085 1.00 30.23 C ATOM 748 C SER A 529 -6.925 -16.429 11.632 1.00 51.35 C ATOM 749 O SER A 529 -6.012 -17.025 11.060 1.00 22.31 O ATOM 750 CB SER A 529 -6.223 -16.119 14.013 1.00 73.12 C ATOM 751 OG SER A 529 -5.294 -17.095 14.449 1.00 23.44 O ATOM 0 H SER A 529 -6.986 -18.741 12.547 1.00 12.34 H new ATOM 0 HA SER A 529 -8.246 -16.295 13.307 1.00 30.23 H new ATOM 0 HB2 SER A 529 -5.697 -15.319 13.492 1.00 73.12 H new ATOM 0 HB3 SER A 529 -6.714 -15.669 14.876 1.00 73.12 H new ATOM 0 HG SER A 529 -5.636 -17.535 15.255 1.00 23.44 H new ATOM 757 N THR A 530 -7.661 -15.494 11.037 1.00 24.13 N ATOM 758 CA THR A 530 -7.432 -15.109 9.650 1.00 33.04 C ATOM 759 C THR A 530 -6.818 -13.717 9.560 1.00 2.13 C ATOM 760 O THR A 530 -6.786 -12.978 10.545 1.00 43.33 O ATOM 761 CB THR A 530 -8.741 -15.134 8.838 1.00 44.23 C ATOM 762 OG1 THR A 530 -9.567 -14.024 9.207 1.00 75.45 O ATOM 763 CG2 THR A 530 -9.496 -16.434 9.068 1.00 62.24 C ATOM 0 H THR A 530 -8.420 -14.990 11.495 1.00 24.13 H new ATOM 0 HA THR A 530 -6.738 -15.837 9.230 1.00 33.04 H new ATOM 0 HB THR A 530 -8.488 -15.062 7.780 1.00 44.23 H new ATOM 0 HG1 THR A 530 -10.396 -14.046 8.685 1.00 75.45 H new ATOM 0 HG21 THR A 530 -10.417 -16.428 8.484 1.00 62.24 H new ATOM 0 HG22 THR A 530 -8.875 -17.275 8.759 1.00 62.24 H new ATOM 0 HG23 THR A 530 -9.738 -16.532 10.126 1.00 62.24 H new ATOM 771 N ILE A 531 -6.332 -13.365 8.375 1.00 70.33 N ATOM 772 CA ILE A 531 -5.720 -12.060 8.157 1.00 72.31 C ATOM 773 C ILE A 531 -5.382 -11.851 6.685 1.00 43.31 C ATOM 774 O ILE A 531 -4.972 -12.783 5.994 1.00 44.41 O ATOM 775 CB ILE A 531 -4.440 -11.892 8.996 1.00 44.14 C ATOM 776 CG1 ILE A 531 -3.768 -10.554 8.678 1.00 61.42 C ATOM 777 CG2 ILE A 531 -3.482 -13.046 8.738 1.00 12.11 C ATOM 778 CD1 ILE A 531 -2.854 -10.060 9.778 1.00 75.53 C ATOM 0 H ILE A 531 -6.350 -13.965 7.551 1.00 70.33 H new ATOM 0 HA ILE A 531 -6.449 -11.312 8.469 1.00 72.31 H new ATOM 0 HB ILE A 531 -4.711 -11.900 10.052 1.00 44.14 H new ATOM 0 HG12 ILE A 531 -3.193 -10.655 7.757 1.00 61.42 H new ATOM 0 HG13 ILE A 531 -4.538 -9.805 8.493 1.00 61.42 H new ATOM 0 HG21 ILE A 531 -2.582 -12.913 9.338 1.00 12.11 H new ATOM 0 HG22 ILE A 531 -3.963 -13.986 9.009 1.00 12.11 H new ATOM 0 HG23 ILE A 531 -3.214 -13.067 7.682 1.00 12.11 H new ATOM 0 HD11 ILE A 531 -2.413 -9.108 9.484 1.00 75.53 H new ATOM 0 HD12 ILE A 531 -3.428 -9.926 10.695 1.00 75.53 H new ATOM 0 HD13 ILE A 531 -2.062 -10.790 9.948 1.00 75.53 H new ATOM 790 N GLU A 532 -5.555 -10.620 6.213 1.00 62.12 N ATOM 791 CA GLU A 532 -5.266 -10.288 4.822 1.00 33.44 C ATOM 792 C GLU A 532 -4.243 -9.160 4.733 1.00 1.04 C ATOM 793 O GLU A 532 -4.412 -8.104 5.344 1.00 41.51 O ATOM 794 CB GLU A 532 -6.550 -9.886 4.094 1.00 53.11 C ATOM 795 CG GLU A 532 -6.385 -9.772 2.588 1.00 74.12 C ATOM 796 CD GLU A 532 -7.630 -10.194 1.831 1.00 22.31 C ATOM 797 OE1 GLU A 532 -7.561 -11.198 1.091 1.00 52.23 O ATOM 798 OE2 GLU A 532 -8.671 -9.522 1.979 1.00 54.23 O ATOM 0 H GLU A 532 -5.893 -9.837 6.772 1.00 62.12 H new ATOM 0 HA GLU A 532 -4.847 -11.173 4.343 1.00 33.44 H new ATOM 0 HB2 GLU A 532 -7.326 -10.620 4.312 1.00 53.11 H new ATOM 0 HB3 GLU A 532 -6.896 -8.930 4.487 1.00 53.11 H new ATOM 0 HG2 GLU A 532 -6.139 -8.742 2.330 1.00 74.12 H new ATOM 0 HG3 GLU A 532 -5.545 -10.389 2.271 1.00 74.12 H new ATOM 805 N LEU A 533 -3.181 -9.391 3.969 1.00 31.45 N ATOM 806 CA LEU A 533 -2.129 -8.395 3.800 1.00 62.31 C ATOM 807 C LEU A 533 -2.081 -7.893 2.360 1.00 32.24 C ATOM 808 O LEU A 533 -2.105 -8.669 1.405 1.00 21.51 O ATOM 809 CB LEU A 533 -0.773 -8.985 4.191 1.00 21.53 C ATOM 810 CG LEU A 533 -0.266 -8.632 5.590 1.00 63.21 C ATOM 811 CD1 LEU A 533 -1.327 -8.938 6.636 1.00 62.05 C ATOM 812 CD2 LEU A 533 1.021 -9.385 5.897 1.00 74.23 C ATOM 0 H LEU A 533 -3.026 -10.259 3.457 1.00 31.45 H new ATOM 0 HA LEU A 533 -2.353 -7.551 4.453 1.00 62.31 H new ATOM 0 HB2 LEU A 533 -0.835 -10.070 4.112 1.00 21.53 H new ATOM 0 HB3 LEU A 533 -0.032 -8.654 3.463 1.00 21.53 H new ATOM 0 HG LEU A 533 -0.054 -7.563 5.619 1.00 63.21 H new ATOM 0 HD11 LEU A 533 -0.948 -8.680 7.625 1.00 62.05 H new ATOM 0 HD12 LEU A 533 -2.223 -8.354 6.427 1.00 62.05 H new ATOM 0 HD13 LEU A 533 -1.571 -10.000 6.606 1.00 62.05 H new ATOM 0 HD21 LEU A 533 1.367 -9.121 6.896 1.00 74.23 H new ATOM 0 HD22 LEU A 533 0.835 -10.458 5.849 1.00 74.23 H new ATOM 0 HD23 LEU A 533 1.783 -9.115 5.166 1.00 74.23 H new ATOM 824 N PRO A 534 -2.010 -6.563 2.199 1.00 32.53 N ATOM 825 CA PRO A 534 -1.955 -5.928 0.880 1.00 43.24 C ATOM 826 C PRO A 534 -0.630 -6.183 0.168 1.00 32.14 C ATOM 827 O PRO A 534 -0.456 -5.815 -0.994 1.00 34.24 O ATOM 828 CB PRO A 534 -2.113 -4.439 1.196 1.00 13.42 C ATOM 829 CG PRO A 534 -1.623 -4.294 2.595 1.00 24.54 C ATOM 830 CD PRO A 534 -1.978 -5.578 3.293 1.00 31.22 C ATOM 0 HA PRO A 534 -2.719 -6.319 0.208 1.00 43.24 H new ATOM 0 HB2 PRO A 534 -1.533 -3.825 0.508 1.00 13.42 H new ATOM 0 HB3 PRO A 534 -3.152 -4.123 1.106 1.00 13.42 H new ATOM 0 HG2 PRO A 534 -0.547 -4.123 2.616 1.00 24.54 H new ATOM 0 HG3 PRO A 534 -2.091 -3.441 3.086 1.00 24.54 H new ATOM 0 HD2 PRO A 534 -1.239 -5.842 4.050 1.00 31.22 H new ATOM 0 HD3 PRO A 534 -2.941 -5.508 3.799 1.00 31.22 H new ATOM 838 N LYS A 535 0.302 -6.816 0.873 1.00 51.21 N ATOM 839 CA LYS A 535 1.611 -7.123 0.309 1.00 1.41 C ATOM 840 C LYS A 535 1.476 -7.702 -1.096 1.00 5.44 C ATOM 841 O LYS A 535 0.520 -8.416 -1.394 1.00 44.00 O ATOM 842 CB LYS A 535 2.358 -8.109 1.209 1.00 5.03 C ATOM 843 CG LYS A 535 2.588 -7.592 2.619 1.00 62.10 C ATOM 844 CD LYS A 535 3.479 -6.361 2.623 1.00 12.12 C ATOM 845 CE LYS A 535 4.859 -6.670 2.064 1.00 41.42 C ATOM 846 NZ LYS A 535 5.781 -5.506 2.188 1.00 74.34 N ATOM 0 H LYS A 535 0.175 -7.126 1.836 1.00 51.21 H new ATOM 0 HA LYS A 535 2.179 -6.195 0.247 1.00 1.41 H new ATOM 0 HB2 LYS A 535 1.794 -9.040 1.260 1.00 5.03 H new ATOM 0 HB3 LYS A 535 3.321 -8.344 0.756 1.00 5.03 H new ATOM 0 HG2 LYS A 535 1.630 -7.350 3.080 1.00 62.10 H new ATOM 0 HG3 LYS A 535 3.045 -8.375 3.225 1.00 62.10 H new ATOM 0 HD2 LYS A 535 3.014 -5.572 2.032 1.00 12.12 H new ATOM 0 HD3 LYS A 535 3.574 -5.983 3.641 1.00 12.12 H new ATOM 0 HE2 LYS A 535 5.281 -7.526 2.591 1.00 41.42 H new ATOM 0 HE3 LYS A 535 4.771 -6.954 1.015 1.00 41.42 H new ATOM 0 HZ1 LYS A 535 6.711 -5.757 1.796 1.00 74.34 H new ATOM 0 HZ2 LYS A 535 5.391 -4.697 1.664 1.00 74.34 H new ATOM 0 HZ3 LYS A 535 5.885 -5.251 3.191 1.00 74.34 H new ATOM 860 N GLY A 536 2.442 -7.389 -1.955 1.00 20.31 N ATOM 861 CA GLY A 536 2.413 -7.888 -3.317 1.00 74.23 C ATOM 862 C GLY A 536 3.736 -8.492 -3.742 1.00 63.22 C ATOM 863 O GLY A 536 4.231 -8.214 -4.834 1.00 74.34 O ATOM 0 H GLY A 536 3.244 -6.799 -1.732 1.00 20.31 H new ATOM 0 HA2 GLY A 536 1.628 -8.639 -3.409 1.00 74.23 H new ATOM 0 HA3 GLY A 536 2.155 -7.073 -3.994 1.00 74.23 H new ATOM 867 N MET A 537 4.313 -9.320 -2.876 1.00 55.35 N ATOM 868 CA MET A 537 5.588 -9.964 -3.168 1.00 52.05 C ATOM 869 C MET A 537 5.970 -10.940 -2.060 1.00 61.03 C ATOM 870 O MET A 537 6.926 -10.726 -1.315 1.00 23.42 O ATOM 871 CB MET A 537 6.687 -8.914 -3.340 1.00 53.54 C ATOM 872 CG MET A 537 7.824 -9.366 -4.242 1.00 52.43 C ATOM 873 SD MET A 537 8.674 -7.986 -5.033 1.00 55.12 S ATOM 874 CE MET A 537 9.882 -8.858 -6.027 1.00 4.44 C ATOM 0 H MET A 537 3.918 -9.560 -1.967 1.00 55.35 H new ATOM 0 HA MET A 537 5.480 -10.522 -4.098 1.00 52.05 H new ATOM 0 HB2 MET A 537 6.248 -8.005 -3.750 1.00 53.54 H new ATOM 0 HB3 MET A 537 7.091 -8.659 -2.360 1.00 53.54 H new ATOM 0 HG2 MET A 537 8.541 -9.941 -3.656 1.00 52.43 H new ATOM 0 HG3 MET A 537 7.431 -10.033 -5.009 1.00 52.43 H new ATOM 0 HE1 MET A 537 10.487 -8.138 -6.578 1.00 4.44 H new ATOM 0 HE2 MET A 537 10.526 -9.453 -5.379 1.00 4.44 H new ATOM 0 HE3 MET A 537 9.369 -9.515 -6.730 1.00 4.44 H new ATOM 884 N PRO A 538 5.207 -12.037 -1.947 1.00 71.25 N ATOM 885 CA PRO A 538 5.447 -13.068 -0.933 1.00 2.30 C ATOM 886 C PRO A 538 6.720 -13.862 -1.204 1.00 4.13 C ATOM 887 O PRO A 538 7.513 -13.505 -2.075 1.00 32.35 O ATOM 888 CB PRO A 538 4.218 -13.973 -1.048 1.00 51.54 C ATOM 889 CG PRO A 538 3.738 -13.784 -2.446 1.00 45.22 C ATOM 890 CD PRO A 538 4.051 -12.357 -2.802 1.00 11.40 C ATOM 0 HA PRO A 538 5.585 -12.639 0.059 1.00 2.30 H new ATOM 0 HB2 PRO A 538 4.474 -15.015 -0.855 1.00 51.54 H new ATOM 0 HB3 PRO A 538 3.452 -13.694 -0.325 1.00 51.54 H new ATOM 0 HG2 PRO A 538 4.237 -14.474 -3.126 1.00 45.22 H new ATOM 0 HG3 PRO A 538 2.668 -13.979 -2.521 1.00 45.22 H new ATOM 0 HD2 PRO A 538 4.292 -12.250 -3.860 1.00 11.40 H new ATOM 0 HD3 PRO A 538 3.207 -11.698 -2.599 1.00 11.40 H new ATOM 898 N GLY A 539 6.910 -14.942 -0.451 1.00 44.42 N ATOM 899 CA GLY A 539 8.089 -15.770 -0.626 1.00 44.50 C ATOM 900 C GLY A 539 9.272 -15.273 0.182 1.00 51.42 C ATOM 901 O GLY A 539 10.336 -15.890 0.180 1.00 61.24 O ATOM 0 H GLY A 539 6.269 -15.258 0.277 1.00 44.42 H new ATOM 0 HA2 GLY A 539 7.857 -16.794 -0.333 1.00 44.50 H new ATOM 0 HA3 GLY A 539 8.359 -15.794 -1.682 1.00 44.50 H new ATOM 905 N GLU A 540 9.086 -14.152 0.873 1.00 34.41 N ATOM 906 CA GLU A 540 10.147 -13.572 1.687 1.00 64.22 C ATOM 907 C GLU A 540 10.297 -14.327 3.005 1.00 41.24 C ATOM 908 O GLU A 540 11.401 -14.713 3.390 1.00 73.21 O ATOM 909 CB GLU A 540 9.860 -12.095 1.962 1.00 12.22 C ATOM 910 CG GLU A 540 9.310 -11.347 0.759 1.00 33.22 C ATOM 911 CD GLU A 540 9.420 -9.842 0.907 1.00 21.11 C ATOM 912 OE1 GLU A 540 9.667 -9.374 2.039 1.00 61.45 O ATOM 913 OE2 GLU A 540 9.259 -9.132 -0.108 1.00 25.35 O ATOM 0 H GLU A 540 8.211 -13.628 0.885 1.00 34.41 H new ATOM 0 HA GLU A 540 11.082 -13.656 1.132 1.00 64.22 H new ATOM 0 HB2 GLU A 540 9.147 -12.019 2.783 1.00 12.22 H new ATOM 0 HB3 GLU A 540 10.779 -11.610 2.291 1.00 12.22 H new ATOM 0 HG2 GLU A 540 9.848 -11.660 -0.136 1.00 33.22 H new ATOM 0 HG3 GLU A 540 8.264 -11.619 0.614 1.00 33.22 H new ATOM 920 N VAL A 541 9.178 -14.533 3.692 1.00 3.43 N ATOM 921 CA VAL A 541 9.184 -15.241 4.967 1.00 54.13 C ATOM 922 C VAL A 541 9.204 -16.751 4.756 1.00 15.31 C ATOM 923 O VAL A 541 9.775 -17.493 5.556 1.00 43.21 O ATOM 924 CB VAL A 541 7.957 -14.869 5.821 1.00 51.13 C ATOM 925 CG1 VAL A 541 8.032 -15.539 7.184 1.00 70.51 C ATOM 926 CG2 VAL A 541 7.847 -13.359 5.966 1.00 44.44 C ATOM 0 H VAL A 541 8.256 -14.220 3.387 1.00 3.43 H new ATOM 0 HA VAL A 541 10.089 -14.938 5.494 1.00 54.13 H new ATOM 0 HB VAL A 541 7.061 -15.229 5.315 1.00 51.13 H new ATOM 0 HG11 VAL A 541 7.157 -15.264 7.773 1.00 70.51 H new ATOM 0 HG12 VAL A 541 8.059 -16.621 7.056 1.00 70.51 H new ATOM 0 HG13 VAL A 541 8.934 -15.212 7.701 1.00 70.51 H new ATOM 0 HG21 VAL A 541 6.975 -13.114 6.572 1.00 44.44 H new ATOM 0 HG22 VAL A 541 8.745 -12.974 6.450 1.00 44.44 H new ATOM 0 HG23 VAL A 541 7.743 -12.905 4.980 1.00 44.44 H new ATOM 936 N LEU A 542 8.576 -17.200 3.675 1.00 43.13 N ATOM 937 CA LEU A 542 8.522 -18.623 3.357 1.00 10.33 C ATOM 938 C LEU A 542 9.912 -19.163 3.039 1.00 43.04 C ATOM 939 O LEU A 542 10.161 -20.363 3.147 1.00 64.30 O ATOM 940 CB LEU A 542 7.584 -18.866 2.174 1.00 41.14 C ATOM 941 CG LEU A 542 6.111 -19.084 2.519 1.00 74.44 C ATOM 942 CD1 LEU A 542 5.365 -17.759 2.542 1.00 44.15 C ATOM 943 CD2 LEU A 542 5.467 -20.043 1.527 1.00 2.12 C ATOM 0 H LEU A 542 8.097 -16.600 3.004 1.00 43.13 H new ATOM 0 HA LEU A 542 8.139 -19.151 4.230 1.00 10.33 H new ATOM 0 HB2 LEU A 542 7.656 -18.014 1.498 1.00 41.14 H new ATOM 0 HB3 LEU A 542 7.941 -19.738 1.626 1.00 41.14 H new ATOM 0 HG LEU A 542 6.053 -19.527 3.513 1.00 74.44 H new ATOM 0 HD11 LEU A 542 4.318 -17.935 2.789 1.00 44.15 H new ATOM 0 HD12 LEU A 542 5.810 -17.104 3.291 1.00 44.15 H new ATOM 0 HD13 LEU A 542 5.432 -17.287 1.562 1.00 44.15 H new ATOM 0 HD21 LEU A 542 4.418 -20.187 1.788 1.00 2.12 H new ATOM 0 HD22 LEU A 542 5.537 -19.628 0.522 1.00 2.12 H new ATOM 0 HD23 LEU A 542 5.984 -21.002 1.560 1.00 2.12 H new ATOM 955 N GLN A 543 10.814 -18.268 2.647 1.00 31.23 N ATOM 956 CA GLN A 543 12.180 -18.656 2.315 1.00 54.24 C ATOM 957 C GLN A 543 12.984 -18.953 3.576 1.00 74.40 C ATOM 958 O GLN A 543 13.493 -20.060 3.753 1.00 30.52 O ATOM 959 CB GLN A 543 12.864 -17.551 1.508 1.00 12.53 C ATOM 960 CG GLN A 543 12.644 -17.666 0.009 1.00 71.54 C ATOM 961 CD GLN A 543 12.995 -16.392 -0.733 1.00 1.20 C ATOM 962 OE1 GLN A 543 12.251 -15.942 -1.605 1.00 62.32 O ATOM 963 NE2 GLN A 543 14.134 -15.801 -0.389 1.00 72.34 N ATOM 0 H GLN A 543 10.623 -17.270 2.552 1.00 31.23 H new ATOM 0 HA GLN A 543 12.137 -19.563 1.712 1.00 54.24 H new ATOM 0 HB2 GLN A 543 12.495 -16.583 1.848 1.00 12.53 H new ATOM 0 HB3 GLN A 543 13.934 -17.573 1.712 1.00 12.53 H new ATOM 0 HG2 GLN A 543 13.247 -18.486 -0.381 1.00 71.54 H new ATOM 0 HG3 GLN A 543 11.601 -17.918 -0.183 1.00 71.54 H new ATOM 0 HE21 GLN A 543 14.720 -16.209 0.339 1.00 72.34 H new ATOM 0 HE22 GLN A 543 14.422 -14.940 -0.853 1.00 72.34 H new ATOM 972 N HIS A 544 13.094 -17.958 4.450 1.00 1.00 N ATOM 973 CA HIS A 544 13.837 -18.113 5.696 1.00 75.51 C ATOM 974 C HIS A 544 13.045 -18.947 6.699 1.00 24.23 C ATOM 975 O HIS A 544 13.543 -19.944 7.223 1.00 63.11 O ATOM 976 CB HIS A 544 14.160 -16.745 6.295 1.00 5.34 C ATOM 977 CG HIS A 544 14.909 -15.844 5.362 1.00 62.01 C ATOM 978 ND1 HIS A 544 15.787 -16.312 4.407 1.00 2.11 N ATOM 979 CD2 HIS A 544 14.906 -14.496 5.239 1.00 33.05 C ATOM 980 CE1 HIS A 544 16.293 -15.291 3.739 1.00 53.51 C ATOM 981 NE2 HIS A 544 15.774 -14.177 4.224 1.00 33.12 N ATOM 0 H HIS A 544 12.678 -17.036 4.319 1.00 1.00 H new ATOM 0 HA HIS A 544 14.769 -18.632 5.473 1.00 75.51 H new ATOM 0 HB2 HIS A 544 13.230 -16.258 6.589 1.00 5.34 H new ATOM 0 HB3 HIS A 544 14.748 -16.884 7.202 1.00 5.34 H new ATOM 0 HD2 HIS A 544 14.328 -13.800 5.830 1.00 33.05 H new ATOM 0 HE1 HIS A 544 17.009 -15.356 2.933 1.00 53.51 H new ATOM 0 HE2 HIS A 544 15.984 -13.234 3.898 1.00 33.12 H new ATOM 989 N PHE A 545 11.811 -18.532 6.963 1.00 0.04 N ATOM 990 CA PHE A 545 10.952 -19.239 7.906 1.00 74.45 C ATOM 991 C PHE A 545 10.178 -20.353 7.206 1.00 52.35 C ATOM 992 O PHE A 545 8.973 -20.510 7.407 1.00 1.22 O ATOM 993 CB PHE A 545 9.977 -18.265 8.570 1.00 74.12 C ATOM 994 CG PHE A 545 10.561 -17.544 9.751 1.00 41.24 C ATOM 995 CD1 PHE A 545 9.907 -17.543 10.972 1.00 21.51 C ATOM 996 CD2 PHE A 545 11.765 -16.867 9.639 1.00 12.32 C ATOM 997 CE1 PHE A 545 10.442 -16.880 12.060 1.00 45.12 C ATOM 998 CE2 PHE A 545 12.305 -16.202 10.724 1.00 43.44 C ATOM 999 CZ PHE A 545 11.644 -16.209 11.936 1.00 74.22 C ATOM 0 H PHE A 545 11.383 -17.710 6.537 1.00 0.04 H new ATOM 0 HA PHE A 545 11.586 -19.686 8.672 1.00 74.45 H new ATOM 0 HB2 PHE A 545 9.649 -17.532 7.833 1.00 74.12 H new ATOM 0 HB3 PHE A 545 9.091 -18.813 8.891 1.00 74.12 H new ATOM 0 HD1 PHE A 545 8.968 -18.066 11.075 1.00 21.51 H new ATOM 0 HD2 PHE A 545 12.287 -16.859 8.694 1.00 12.32 H new ATOM 0 HE1 PHE A 545 9.921 -16.886 13.006 1.00 45.12 H new ATOM 0 HE2 PHE A 545 13.244 -15.677 10.624 1.00 43.44 H new ATOM 0 HZ PHE A 545 12.065 -15.691 12.785 1.00 74.22 H new ATOM 1009 N THR A 546 10.879 -21.124 6.380 1.00 31.24 N ATOM 1010 CA THR A 546 10.259 -22.222 5.649 1.00 43.34 C ATOM 1011 C THR A 546 9.830 -23.339 6.593 1.00 62.14 C ATOM 1012 O THR A 546 8.784 -23.959 6.400 1.00 23.45 O ATOM 1013 CB THR A 546 11.215 -22.800 4.588 1.00 51.01 C ATOM 1014 OG1 THR A 546 10.579 -23.878 3.891 1.00 4.34 O ATOM 1015 CG2 THR A 546 12.502 -23.294 5.231 1.00 70.01 C ATOM 0 H THR A 546 11.876 -21.008 6.201 1.00 31.24 H new ATOM 0 HA THR A 546 9.379 -21.814 5.152 1.00 43.34 H new ATOM 0 HB THR A 546 11.462 -22.007 3.882 1.00 51.01 H new ATOM 0 HG1 THR A 546 11.192 -24.239 3.217 1.00 4.34 H new ATOM 0 HG21 THR A 546 13.161 -23.698 4.462 1.00 70.01 H new ATOM 0 HG22 THR A 546 12.998 -22.465 5.736 1.00 70.01 H new ATOM 0 HG23 THR A 546 12.270 -24.074 5.956 1.00 70.01 H new ATOM 1023 N ARG A 547 10.644 -23.590 7.613 1.00 33.31 N ATOM 1024 CA ARG A 547 10.348 -24.634 8.587 1.00 13.11 C ATOM 1025 C ARG A 547 10.101 -24.034 9.968 1.00 33.23 C ATOM 1026 O ARG A 547 9.456 -24.649 10.819 1.00 62.34 O ATOM 1027 CB ARG A 547 11.499 -25.640 8.654 1.00 14.54 C ATOM 1028 CG ARG A 547 12.872 -24.991 8.701 1.00 3.21 C ATOM 1029 CD ARG A 547 13.923 -25.950 9.237 1.00 25.11 C ATOM 1030 NE ARG A 547 15.267 -25.597 8.787 1.00 61.03 N ATOM 1031 CZ ARG A 547 15.711 -25.819 7.555 1.00 43.14 C ATOM 1032 NH1 ARG A 547 14.922 -26.389 6.655 1.00 63.53 N ATOM 1033 NH2 ARG A 547 16.947 -25.469 7.220 1.00 31.15 N ATOM 0 H ARG A 547 11.513 -23.085 7.786 1.00 33.31 H new ATOM 0 HA ARG A 547 9.443 -25.150 8.266 1.00 13.11 H new ATOM 0 HB2 ARG A 547 11.372 -26.266 9.537 1.00 14.54 H new ATOM 0 HB3 ARG A 547 11.447 -26.298 7.786 1.00 14.54 H new ATOM 0 HG2 ARG A 547 13.154 -24.662 7.701 1.00 3.21 H new ATOM 0 HG3 ARG A 547 12.834 -24.102 9.331 1.00 3.21 H new ATOM 0 HD2 ARG A 547 13.893 -25.948 10.327 1.00 25.11 H new ATOM 0 HD3 ARG A 547 13.687 -26.964 8.914 1.00 25.11 H new ATOM 0 HE ARG A 547 15.899 -25.156 9.455 1.00 61.03 H new ATOM 0 HH11 ARG A 547 13.971 -26.658 6.908 1.00 63.53 H new ATOM 0 HH12 ARG A 547 15.266 -26.558 5.710 1.00 63.53 H new ATOM 0 HH21 ARG A 547 17.557 -25.029 7.909 1.00 31.15 H new ATOM 0 HH22 ARG A 547 17.287 -25.640 6.274 1.00 31.15 H new ATOM 1047 N THR A 548 10.618 -22.829 10.186 1.00 61.11 N ATOM 1048 CA THR A 548 10.456 -22.147 11.463 1.00 14.24 C ATOM 1049 C THR A 548 9.243 -21.223 11.443 1.00 3.11 C ATOM 1050 O THR A 548 9.157 -20.315 10.617 1.00 42.53 O ATOM 1051 CB THR A 548 11.707 -21.325 11.825 1.00 42.35 C ATOM 1052 OG1 THR A 548 12.860 -22.174 11.852 1.00 50.22 O ATOM 1053 CG2 THR A 548 11.538 -20.647 13.176 1.00 42.11 C ATOM 0 H THR A 548 11.153 -22.305 9.493 1.00 61.11 H new ATOM 0 HA THR A 548 10.308 -22.920 12.217 1.00 14.24 H new ATOM 0 HB THR A 548 11.841 -20.555 11.065 1.00 42.35 H new ATOM 0 HG1 THR A 548 13.652 -21.644 12.081 1.00 50.22 H new ATOM 0 HG21 THR A 548 12.434 -20.073 13.410 1.00 42.11 H new ATOM 0 HG22 THR A 548 10.677 -19.979 13.143 1.00 42.11 H new ATOM 0 HG23 THR A 548 11.381 -21.403 13.945 1.00 42.11 H new ATOM 1061 N ARG A 549 8.309 -21.460 12.358 1.00 72.32 N ATOM 1062 CA ARG A 549 7.101 -20.649 12.444 1.00 75.00 C ATOM 1063 C ARG A 549 6.578 -20.602 13.877 1.00 61.41 C ATOM 1064 O ARG A 549 7.135 -21.239 14.772 1.00 43.50 O ATOM 1065 CB ARG A 549 6.020 -21.204 11.514 1.00 64.32 C ATOM 1066 CG ARG A 549 6.261 -20.891 10.046 1.00 14.11 C ATOM 1067 CD ARG A 549 6.789 -22.104 9.297 1.00 42.03 C ATOM 1068 NE ARG A 549 5.809 -22.634 8.352 1.00 4.50 N ATOM 1069 CZ ARG A 549 5.614 -22.132 7.138 1.00 55.32 C ATOM 1070 NH1 ARG A 549 6.327 -21.094 6.723 1.00 55.31 N ATOM 1071 NH2 ARG A 549 4.703 -22.669 6.336 1.00 41.44 N ATOM 0 H ARG A 549 8.366 -22.207 13.050 1.00 72.32 H new ATOM 0 HA ARG A 549 7.353 -19.635 12.133 1.00 75.00 H new ATOM 0 HB2 ARG A 549 5.963 -22.285 11.642 1.00 64.32 H new ATOM 0 HB3 ARG A 549 5.053 -20.796 11.810 1.00 64.32 H new ATOM 0 HG2 ARG A 549 5.331 -20.555 9.587 1.00 14.11 H new ATOM 0 HG3 ARG A 549 6.973 -20.071 9.960 1.00 14.11 H new ATOM 0 HD2 ARG A 549 7.698 -21.832 8.761 1.00 42.03 H new ATOM 0 HD3 ARG A 549 7.061 -22.881 10.011 1.00 42.03 H new ATOM 0 HE ARG A 549 5.244 -23.433 8.640 1.00 4.50 H new ATOM 0 HH11 ARG A 549 7.028 -20.679 7.337 1.00 55.31 H new ATOM 0 HH12 ARG A 549 6.175 -20.711 5.790 1.00 55.31 H new ATOM 0 HH21 ARG A 549 4.152 -23.467 6.652 1.00 41.44 H new ATOM 0 HH22 ARG A 549 4.553 -22.283 5.404 1.00 41.44 H new ATOM 1085 N ILE A 550 5.506 -19.845 14.086 1.00 24.30 N ATOM 1086 CA ILE A 550 4.909 -19.716 15.409 1.00 22.44 C ATOM 1087 C ILE A 550 3.544 -19.041 15.333 1.00 2.11 C ATOM 1088 O ILE A 550 3.070 -18.696 14.250 1.00 14.10 O ATOM 1089 CB ILE A 550 5.815 -18.912 16.360 1.00 2.20 C ATOM 1090 CG1 ILE A 550 5.567 -19.329 17.811 1.00 10.20 C ATOM 1091 CG2 ILE A 550 5.576 -17.420 16.184 1.00 53.24 C ATOM 1092 CD1 ILE A 550 6.835 -19.487 18.620 1.00 44.41 C ATOM 0 H ILE A 550 5.033 -19.312 13.356 1.00 24.30 H new ATOM 0 HA ILE A 550 4.791 -20.726 15.801 1.00 22.44 H new ATOM 0 HB ILE A 550 6.855 -19.125 16.113 1.00 2.20 H new ATOM 0 HG12 ILE A 550 4.930 -18.585 18.290 1.00 10.20 H new ATOM 0 HG13 ILE A 550 5.020 -20.271 17.821 1.00 10.20 H new ATOM 0 HG21 ILE A 550 6.224 -16.865 16.863 1.00 53.24 H new ATOM 0 HG22 ILE A 550 5.799 -17.135 15.156 1.00 53.24 H new ATOM 0 HG23 ILE A 550 4.534 -17.190 16.407 1.00 53.24 H new ATOM 0 HD11 ILE A 550 6.583 -19.784 19.638 1.00 44.41 H new ATOM 0 HD12 ILE A 550 7.464 -20.252 18.165 1.00 44.41 H new ATOM 0 HD13 ILE A 550 7.373 -18.540 18.641 1.00 44.41 H new ATOM 1104 N LEU A 551 2.918 -18.853 16.489 1.00 31.04 N ATOM 1105 CA LEU A 551 1.607 -18.216 16.555 1.00 60.21 C ATOM 1106 C LEU A 551 1.488 -17.107 15.514 1.00 33.53 C ATOM 1107 O LEU A 551 0.461 -16.974 14.850 1.00 71.42 O ATOM 1108 CB LEU A 551 1.364 -17.647 17.954 1.00 42.23 C ATOM 1109 CG LEU A 551 2.294 -16.513 18.388 1.00 51.05 C ATOM 1110 CD1 LEU A 551 1.681 -15.162 18.052 1.00 32.24 C ATOM 1111 CD2 LEU A 551 2.594 -16.610 19.876 1.00 4.22 C ATOM 0 H LEU A 551 3.297 -19.133 17.394 1.00 31.04 H new ATOM 0 HA LEU A 551 0.852 -18.972 16.341 1.00 60.21 H new ATOM 0 HB2 LEU A 551 0.336 -17.287 18.005 1.00 42.23 H new ATOM 0 HB3 LEU A 551 1.453 -18.459 18.675 1.00 42.23 H new ATOM 0 HG LEU A 551 3.232 -16.609 17.842 1.00 51.05 H new ATOM 0 HD11 LEU A 551 2.357 -14.367 18.368 1.00 32.24 H new ATOM 0 HD12 LEU A 551 1.518 -15.094 16.976 1.00 32.24 H new ATOM 0 HD13 LEU A 551 0.728 -15.056 18.571 1.00 32.24 H new ATOM 0 HD21 LEU A 551 3.257 -15.795 20.167 1.00 4.22 H new ATOM 0 HD22 LEU A 551 1.664 -16.540 20.440 1.00 4.22 H new ATOM 0 HD23 LEU A 551 3.076 -17.564 20.088 1.00 4.22 H new ATOM 1123 N ASN A 552 2.546 -16.315 15.377 1.00 30.21 N ATOM 1124 CA ASN A 552 2.560 -15.219 14.416 1.00 44.42 C ATOM 1125 C ASN A 552 2.790 -15.739 13.000 1.00 34.31 C ATOM 1126 O ASN A 552 1.942 -15.578 12.122 1.00 34.12 O ATOM 1127 CB ASN A 552 3.648 -14.207 14.781 1.00 1.43 C ATOM 1128 CG ASN A 552 3.754 -13.081 13.771 1.00 52.04 C ATOM 1129 OD1 ASN A 552 2.750 -12.637 13.213 1.00 44.54 O ATOM 1130 ND2 ASN A 552 4.974 -12.615 13.530 1.00 13.41 N ATOM 0 H ASN A 552 3.405 -16.412 15.919 1.00 30.21 H new ATOM 0 HA ASN A 552 1.588 -14.727 14.450 1.00 44.42 H new ATOM 0 HB2 ASN A 552 3.436 -13.789 15.765 1.00 1.43 H new ATOM 0 HB3 ASN A 552 4.608 -14.719 14.852 1.00 1.43 H new ATOM 0 HD21 ASN A 552 5.108 -11.859 12.859 1.00 13.41 H new ATOM 0 HD22 ASN A 552 5.777 -13.013 14.016 1.00 13.41 H new ATOM 1137 N LYS A 553 3.942 -16.365 12.785 1.00 32.22 N ATOM 1138 CA LYS A 553 4.284 -16.912 11.478 1.00 73.14 C ATOM 1139 C LYS A 553 3.294 -17.998 11.066 1.00 2.42 C ATOM 1140 O LYS A 553 2.551 -18.537 11.886 1.00 22.14 O ATOM 1141 CB LYS A 553 5.704 -17.482 11.496 1.00 72.12 C ATOM 1142 CG LYS A 553 6.664 -16.695 12.371 1.00 71.11 C ATOM 1143 CD LYS A 553 6.621 -15.210 12.050 1.00 25.51 C ATOM 1144 CE LYS A 553 7.977 -14.555 12.264 1.00 2.02 C ATOM 1145 NZ LYS A 553 7.847 -13.113 12.612 1.00 44.23 N ATOM 0 H LYS A 553 4.655 -16.506 13.500 1.00 32.22 H new ATOM 0 HA LYS A 553 4.233 -16.103 10.749 1.00 73.14 H new ATOM 0 HB2 LYS A 553 5.668 -18.513 11.847 1.00 72.12 H new ATOM 0 HB3 LYS A 553 6.090 -17.505 10.477 1.00 72.12 H new ATOM 0 HG2 LYS A 553 6.411 -16.849 13.420 1.00 71.11 H new ATOM 0 HG3 LYS A 553 7.678 -17.070 12.229 1.00 71.11 H new ATOM 0 HD2 LYS A 553 6.307 -15.069 11.016 1.00 25.51 H new ATOM 0 HD3 LYS A 553 5.876 -14.722 12.679 1.00 25.51 H new ATOM 0 HE2 LYS A 553 8.510 -15.074 13.061 1.00 2.02 H new ATOM 0 HE3 LYS A 553 8.577 -14.658 11.360 1.00 2.02 H new ATOM 0 HZ1 LYS A 553 8.717 -12.611 12.342 1.00 44.23 H new ATOM 0 HZ2 LYS A 553 7.039 -12.704 12.101 1.00 44.23 H new ATOM 0 HZ3 LYS A 553 7.694 -13.015 13.636 1.00 44.23 H new ATOM 1159 N PRO A 554 3.283 -18.328 9.766 1.00 3.22 N ATOM 1160 CA PRO A 554 2.391 -19.353 9.217 1.00 21.34 C ATOM 1161 C PRO A 554 2.773 -20.758 9.672 1.00 44.24 C ATOM 1162 O PRO A 554 3.365 -21.526 8.913 1.00 11.25 O ATOM 1163 CB PRO A 554 2.576 -19.212 7.705 1.00 41.35 C ATOM 1164 CG PRO A 554 3.935 -18.622 7.543 1.00 73.24 C ATOM 1165 CD PRO A 554 4.142 -17.726 8.732 1.00 13.11 C ATOM 0 HA PRO A 554 1.362 -19.217 9.548 1.00 21.34 H new ATOM 0 HB2 PRO A 554 2.502 -20.178 7.205 1.00 41.35 H new ATOM 0 HB3 PRO A 554 1.811 -18.569 7.271 1.00 41.35 H new ATOM 0 HG2 PRO A 554 4.696 -19.401 7.504 1.00 73.24 H new ATOM 0 HG3 PRO A 554 4.007 -18.059 6.613 1.00 73.24 H new ATOM 0 HD2 PRO A 554 5.187 -17.703 9.041 1.00 13.11 H new ATOM 0 HD3 PRO A 554 3.851 -16.698 8.516 1.00 13.11 H new ATOM 1173 N MET A 555 2.431 -21.087 10.913 1.00 4.10 N ATOM 1174 CA MET A 555 2.738 -22.401 11.467 1.00 50.41 C ATOM 1175 C MET A 555 2.050 -23.502 10.667 1.00 14.00 C ATOM 1176 O MET A 555 2.708 -24.336 10.048 1.00 25.31 O ATOM 1177 CB MET A 555 2.306 -22.473 12.933 1.00 43.01 C ATOM 1178 CG MET A 555 2.365 -23.876 13.515 1.00 54.00 C ATOM 1179 SD MET A 555 4.040 -24.542 13.556 1.00 53.03 S ATOM 1180 CE MET A 555 3.706 -26.301 13.507 1.00 71.00 C ATOM 0 H MET A 555 1.941 -20.463 11.554 1.00 4.10 H new ATOM 0 HA MET A 555 3.816 -22.551 11.406 1.00 50.41 H new ATOM 0 HB2 MET A 555 2.944 -21.816 13.524 1.00 43.01 H new ATOM 0 HB3 MET A 555 1.288 -22.094 13.022 1.00 43.01 H new ATOM 0 HG2 MET A 555 1.959 -23.863 14.526 1.00 54.00 H new ATOM 0 HG3 MET A 555 1.730 -24.537 12.925 1.00 54.00 H new ATOM 0 HE1 MET A 555 4.647 -26.851 13.526 1.00 71.00 H new ATOM 0 HE2 MET A 555 3.104 -26.581 14.372 1.00 71.00 H new ATOM 0 HE3 MET A 555 3.163 -26.543 12.593 1.00 71.00 H new ATOM 1190 N ASN A 556 0.721 -23.498 10.685 1.00 13.01 N ATOM 1191 CA ASN A 556 -0.057 -24.498 9.962 1.00 45.23 C ATOM 1192 C ASN A 556 -1.270 -23.862 9.290 1.00 32.24 C ATOM 1193 O ASN A 556 -2.384 -24.378 9.382 1.00 64.24 O ATOM 1194 CB ASN A 556 -0.509 -25.608 10.912 1.00 23.14 C ATOM 1195 CG ASN A 556 -0.644 -26.948 10.214 1.00 3.43 C ATOM 1196 OD1 ASN A 556 -0.264 -27.096 9.053 1.00 51.35 O ATOM 1197 ND2 ASN A 556 -1.187 -27.931 10.922 1.00 62.31 N ATOM 0 H ASN A 556 0.160 -22.813 11.192 1.00 13.01 H new ATOM 0 HA ASN A 556 0.580 -24.928 9.189 1.00 45.23 H new ATOM 0 HB2 ASN A 556 0.207 -25.697 11.729 1.00 23.14 H new ATOM 0 HB3 ASN A 556 -1.466 -25.335 11.356 1.00 23.14 H new ATOM 0 HD21 ASN A 556 -1.303 -28.855 10.506 1.00 62.31 H new ATOM 0 HD22 ASN A 556 -1.488 -27.762 11.882 1.00 62.31 H new ATOM 1204 N MET A 557 -1.046 -22.739 8.616 1.00 61.43 N ATOM 1205 CA MET A 557 -2.121 -22.034 7.927 1.00 22.32 C ATOM 1206 C MET A 557 -2.282 -22.548 6.500 1.00 25.41 C ATOM 1207 O MET A 557 -1.469 -23.339 6.021 1.00 33.44 O ATOM 1208 CB MET A 557 -1.845 -20.530 7.912 1.00 43.44 C ATOM 1209 CG MET A 557 -0.579 -20.152 7.159 1.00 53.21 C ATOM 1210 SD MET A 557 -0.896 -19.734 5.434 1.00 40.13 S ATOM 1211 CE MET A 557 0.192 -20.887 4.601 1.00 64.22 C ATOM 0 H MET A 557 -0.130 -22.298 8.532 1.00 61.43 H new ATOM 0 HA MET A 557 -3.049 -22.220 8.468 1.00 22.32 H new ATOM 0 HB2 MET A 557 -2.694 -20.018 7.459 1.00 43.44 H new ATOM 0 HB3 MET A 557 -1.768 -20.173 8.939 1.00 43.44 H new ATOM 0 HG2 MET A 557 -0.106 -19.303 7.654 1.00 53.21 H new ATOM 0 HG3 MET A 557 0.127 -20.981 7.204 1.00 53.21 H new ATOM 0 HE1 MET A 557 0.571 -20.433 3.685 1.00 64.22 H new ATOM 0 HE2 MET A 557 1.028 -21.136 5.255 1.00 64.22 H new ATOM 0 HE3 MET A 557 -0.359 -21.795 4.355 1.00 64.22 H new ATOM 1221 N GLN A 558 -3.334 -22.094 5.827 1.00 4.10 N ATOM 1222 CA GLN A 558 -3.600 -22.510 4.455 1.00 1.31 C ATOM 1223 C GLN A 558 -4.208 -21.367 3.648 1.00 30.23 C ATOM 1224 O GLN A 558 -4.804 -20.446 4.208 1.00 5.24 O ATOM 1225 CB GLN A 558 -4.539 -23.717 4.439 1.00 63.31 C ATOM 1226 CG GLN A 558 -4.145 -24.807 5.423 1.00 60.23 C ATOM 1227 CD GLN A 558 -2.874 -25.528 5.018 1.00 52.24 C ATOM 1228 OE1 GLN A 558 -2.394 -25.380 3.893 1.00 14.23 O ATOM 1229 NE2 GLN A 558 -2.321 -26.314 5.934 1.00 12.20 N ATOM 0 H GLN A 558 -4.016 -21.438 6.209 1.00 4.10 H new ATOM 0 HA GLN A 558 -2.652 -22.790 3.996 1.00 1.31 H new ATOM 0 HB2 GLN A 558 -5.551 -23.382 4.666 1.00 63.31 H new ATOM 0 HB3 GLN A 558 -4.560 -24.137 3.433 1.00 63.31 H new ATOM 0 HG2 GLN A 558 -4.010 -24.367 6.411 1.00 60.23 H new ATOM 0 HG3 GLN A 558 -4.958 -25.529 5.504 1.00 60.23 H new ATOM 0 HE21 GLN A 558 -2.752 -26.407 6.854 1.00 12.20 H new ATOM 0 HE22 GLN A 558 -1.465 -26.824 5.718 1.00 12.20 H new ATOM 1238 N LEU A 559 -4.054 -21.433 2.330 1.00 12.15 N ATOM 1239 CA LEU A 559 -4.588 -20.403 1.446 1.00 71.34 C ATOM 1240 C LEU A 559 -6.031 -20.712 1.059 1.00 10.03 C ATOM 1241 O LEU A 559 -6.303 -21.690 0.361 1.00 44.30 O ATOM 1242 CB LEU A 559 -3.725 -20.286 0.188 1.00 72.41 C ATOM 1243 CG LEU A 559 -3.952 -19.040 -0.668 1.00 41.12 C ATOM 1244 CD1 LEU A 559 -5.262 -19.148 -1.433 1.00 32.34 C ATOM 1245 CD2 LEU A 559 -3.940 -17.789 0.198 1.00 44.31 C ATOM 0 H LEU A 559 -3.564 -22.188 1.850 1.00 12.15 H new ATOM 0 HA LEU A 559 -4.570 -19.454 1.982 1.00 71.34 H new ATOM 0 HB2 LEU A 559 -2.677 -20.311 0.487 1.00 72.41 H new ATOM 0 HB3 LEU A 559 -3.901 -21.165 -0.432 1.00 72.41 H new ATOM 0 HG LEU A 559 -3.139 -18.966 -1.390 1.00 41.12 H new ATOM 0 HD11 LEU A 559 -5.406 -18.252 -2.036 1.00 32.34 H new ATOM 0 HD12 LEU A 559 -5.233 -20.022 -2.083 1.00 32.34 H new ATOM 0 HD13 LEU A 559 -6.088 -19.247 -0.728 1.00 32.34 H new ATOM 0 HD21 LEU A 559 -4.103 -16.912 -0.428 1.00 44.31 H new ATOM 0 HD22 LEU A 559 -4.732 -17.855 0.944 1.00 44.31 H new ATOM 0 HD23 LEU A 559 -2.976 -17.703 0.699 1.00 44.31 H new ATOM 1257 N LEU A 560 -6.953 -19.872 1.516 1.00 42.51 N ATOM 1258 CA LEU A 560 -8.369 -20.053 1.216 1.00 10.24 C ATOM 1259 C LEU A 560 -8.859 -18.991 0.237 1.00 2.33 C ATOM 1260 O LEU A 560 -9.797 -19.220 -0.525 1.00 12.44 O ATOM 1261 CB LEU A 560 -9.194 -19.996 2.503 1.00 11.33 C ATOM 1262 CG LEU A 560 -9.527 -18.598 3.026 1.00 52.35 C ATOM 1263 CD1 LEU A 560 -10.877 -18.138 2.496 1.00 3.24 C ATOM 1264 CD2 LEU A 560 -9.515 -18.580 4.547 1.00 4.21 C ATOM 0 H LEU A 560 -6.745 -19.059 2.096 1.00 42.51 H new ATOM 0 HA LEU A 560 -8.495 -21.032 0.754 1.00 10.24 H new ATOM 0 HB2 LEU A 560 -10.129 -20.532 2.336 1.00 11.33 H new ATOM 0 HB3 LEU A 560 -8.653 -20.534 3.282 1.00 11.33 H new ATOM 0 HG LEU A 560 -8.764 -17.906 2.669 1.00 52.35 H new ATOM 0 HD11 LEU A 560 -11.098 -17.141 2.878 1.00 3.24 H new ATOM 0 HD12 LEU A 560 -10.850 -18.111 1.407 1.00 3.24 H new ATOM 0 HD13 LEU A 560 -11.652 -18.832 2.823 1.00 3.24 H new ATOM 0 HD21 LEU A 560 -9.754 -17.577 4.901 1.00 4.21 H new ATOM 0 HD22 LEU A 560 -10.256 -19.284 4.925 1.00 4.21 H new ATOM 0 HD23 LEU A 560 -8.526 -18.865 4.906 1.00 4.21 H new ATOM 1276 N GLY A 561 -8.215 -17.828 0.262 1.00 4.33 N ATOM 1277 CA GLY A 561 -8.597 -16.748 -0.629 1.00 35.31 C ATOM 1278 C GLY A 561 -7.997 -16.898 -2.013 1.00 20.44 C ATOM 1279 O GLY A 561 -7.727 -18.012 -2.462 1.00 71.31 O ATOM 0 H GLY A 561 -7.435 -17.615 0.884 1.00 4.33 H new ATOM 0 HA2 GLY A 561 -9.684 -16.714 -0.709 1.00 35.31 H new ATOM 0 HA3 GLY A 561 -8.280 -15.798 -0.200 1.00 35.31 H new ATOM 1283 N ASP A 562 -7.789 -15.775 -2.690 1.00 44.03 N ATOM 1284 CA ASP A 562 -7.217 -15.786 -4.032 1.00 22.13 C ATOM 1285 C ASP A 562 -6.931 -14.367 -4.512 1.00 41.24 C ATOM 1286 O ASP A 562 -7.823 -13.520 -4.544 1.00 74.21 O ATOM 1287 CB ASP A 562 -8.164 -16.487 -5.007 1.00 64.21 C ATOM 1288 CG ASP A 562 -7.451 -16.983 -6.250 1.00 31.30 C ATOM 1289 OD1 ASP A 562 -6.204 -17.049 -6.232 1.00 54.12 O ATOM 1290 OD2 ASP A 562 -8.140 -17.305 -7.241 1.00 33.13 O ATOM 0 H ASP A 562 -8.008 -14.845 -2.332 1.00 44.03 H new ATOM 0 HA ASP A 562 -6.276 -16.334 -3.995 1.00 22.13 H new ATOM 0 HB2 ASP A 562 -8.640 -17.329 -4.505 1.00 64.21 H new ATOM 0 HB3 ASP A 562 -8.957 -15.798 -5.297 1.00 64.21 H new ATOM 1295 N ALA A 563 -5.680 -14.114 -4.885 1.00 33.15 N ATOM 1296 CA ALA A 563 -5.277 -12.798 -5.364 1.00 72.12 C ATOM 1297 C ALA A 563 -6.194 -12.317 -6.483 1.00 54.04 C ATOM 1298 O ALA A 563 -6.334 -12.980 -7.511 1.00 13.22 O ATOM 1299 CB ALA A 563 -3.832 -12.830 -5.840 1.00 54.32 C ATOM 0 H ALA A 563 -4.929 -14.804 -4.864 1.00 33.15 H new ATOM 0 HA ALA A 563 -5.360 -12.095 -4.535 1.00 72.12 H new ATOM 0 HB1 ALA A 563 -3.544 -11.841 -6.195 1.00 54.32 H new ATOM 0 HB2 ALA A 563 -3.183 -13.122 -5.014 1.00 54.32 H new ATOM 0 HB3 ALA A 563 -3.732 -13.550 -6.652 1.00 54.32 H new ATOM 1305 N GLN A 564 -6.817 -11.161 -6.276 1.00 71.22 N ATOM 1306 CA GLN A 564 -7.722 -10.593 -7.268 1.00 72.13 C ATOM 1307 C GLN A 564 -7.051 -10.514 -8.635 1.00 50.14 C ATOM 1308 O GLN A 564 -6.071 -9.791 -8.817 1.00 4.24 O ATOM 1309 CB GLN A 564 -8.183 -9.201 -6.832 1.00 23.34 C ATOM 1310 CG GLN A 564 -9.614 -8.881 -7.230 1.00 73.24 C ATOM 1311 CD GLN A 564 -10.634 -9.606 -6.375 1.00 34.21 C ATOM 1312 OE1 GLN A 564 -10.849 -10.809 -6.529 1.00 40.25 O ATOM 1313 NE2 GLN A 564 -11.270 -8.877 -5.465 1.00 40.12 N ATOM 0 H GLN A 564 -6.712 -10.600 -5.431 1.00 71.22 H new ATOM 0 HA GLN A 564 -8.590 -11.247 -7.347 1.00 72.13 H new ATOM 0 HB2 GLN A 564 -8.089 -9.119 -5.749 1.00 23.34 H new ATOM 0 HB3 GLN A 564 -7.518 -8.455 -7.267 1.00 23.34 H new ATOM 0 HG2 GLN A 564 -9.777 -7.806 -7.151 1.00 73.24 H new ATOM 0 HG3 GLN A 564 -9.765 -9.150 -8.275 1.00 73.24 H new ATOM 0 HE21 GLN A 564 -11.061 -7.883 -5.371 1.00 40.12 H new ATOM 0 HE22 GLN A 564 -11.967 -9.311 -4.860 1.00 40.12 H new