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 Single : A 486 MET CE :methyl 177:sc= 0 (180deg=-0.0375) USER MOD Single : A 487 GLN : amide:sc= -2.25 K(o=-2.2,f=-3.5!) USER MOD Single : A 489 TYR OH : rot 180:sc= 0 USER MOD Single : A 503 HIS : no HD1:sc= -0.417 X(o=-0.42,f=-0.23) USER MOD Single : A 510 ASN : amide:sc= -0.854 K(o=-0.85,f=-2.3) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= -0.117 USER MOD Single : A 518 TYR OH : rot 180:sc= 0 USER MOD Single : A 521 ASN : amide:sc= -0.272 X(o=-0.27,f=0) USER MOD Single : A 523 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0912) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HD1:sc= -1.36 X(o=-1.4,f=-1.7) USER MOD Single : A 529 SER OG : rot -87:sc= 0.0192 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.672 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= -1.15 K(o=-1.2,f=-3.5!) USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=0) 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 552 ASN : amide:sc= -3.33 X(o=-3.3,f=-2.8!) USER MOD Single : A 553 LYS NZ :NH3+ 142:sc= -0.421 (180deg=-2.9!) USER MOD Single : A 555 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 556 ASN : amide:sc= 0.364 X(o=0.36,f=0) USER MOD Single : A 557 MET CE :methyl 168:sc= -0.748 (180deg=-1.14) USER MOD Single : A 558 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 564 GLN : amide:sc=-0.00332 X(o=-0.0033,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 28 N ASP A 482 3.350 -4.455 -4.904 1.00 31.33 N ATOM 29 CA ASP A 482 3.921 -4.506 -6.244 1.00 44.24 C ATOM 30 C ASP A 482 2.868 -4.914 -7.269 1.00 73.13 C ATOM 31 O ASP A 482 2.898 -4.470 -8.417 1.00 61.01 O ATOM 32 CB ASP A 482 5.096 -5.485 -6.285 1.00 10.43 C ATOM 33 CG ASP A 482 6.222 -5.002 -7.178 1.00 55.33 C ATOM 34 OD1 ASP A 482 6.851 -5.847 -7.848 1.00 53.22 O ATOM 35 OD2 ASP A 482 6.474 -3.779 -7.207 1.00 12.31 O ATOM 0 HA ASP A 482 4.280 -3.508 -6.496 1.00 44.24 H new ATOM 0 HB2 ASP A 482 5.476 -5.634 -5.274 1.00 10.43 H new ATOM 0 HB3 ASP A 482 4.745 -6.454 -6.640 1.00 10.43 H new ATOM 40 N VAL A 483 1.937 -5.764 -6.847 1.00 54.30 N ATOM 41 CA VAL A 483 0.873 -6.232 -7.728 1.00 23.23 C ATOM 42 C VAL A 483 -0.486 -6.141 -7.044 1.00 55.13 C ATOM 43 O VAL A 483 -1.481 -5.767 -7.665 1.00 1.15 O ATOM 44 CB VAL A 483 1.114 -7.686 -8.174 1.00 64.35 C ATOM 45 CG1 VAL A 483 1.303 -8.592 -6.967 1.00 4.21 C ATOM 46 CG2 VAL A 483 -0.036 -8.174 -9.042 1.00 63.33 C ATOM 0 H VAL A 483 1.898 -6.143 -5.901 1.00 54.30 H new ATOM 0 HA VAL A 483 0.879 -5.584 -8.605 1.00 23.23 H new ATOM 0 HB VAL A 483 2.027 -7.718 -8.768 1.00 64.35 H new ATOM 0 HG11 VAL A 483 1.472 -9.615 -7.303 1.00 4.21 H new ATOM 0 HG12 VAL A 483 2.163 -8.253 -6.389 1.00 4.21 H new ATOM 0 HG13 VAL A 483 0.410 -8.558 -6.343 1.00 4.21 H new ATOM 0 HG21 VAL A 483 0.151 -9.203 -9.348 1.00 63.33 H new ATOM 0 HG22 VAL A 483 -0.965 -8.127 -8.475 1.00 63.33 H new ATOM 0 HG23 VAL A 483 -0.118 -7.542 -9.926 1.00 63.33 H new ATOM 56 N GLY A 484 -0.522 -6.485 -5.760 1.00 61.34 N ATOM 57 CA GLY A 484 -1.765 -6.435 -5.013 1.00 22.10 C ATOM 58 C GLY A 484 -2.144 -7.781 -4.428 1.00 75.12 C ATOM 59 O GLY A 484 -3.325 -8.068 -4.229 1.00 70.32 O ATOM 0 H GLY A 484 0.288 -6.797 -5.224 1.00 61.34 H new ATOM 0 HA2 GLY A 484 -1.673 -5.706 -4.208 1.00 22.10 H new ATOM 0 HA3 GLY A 484 -2.565 -6.088 -5.667 1.00 22.10 H new ATOM 63 N ASP A 485 -1.142 -8.609 -4.154 1.00 14.23 N ATOM 64 CA ASP A 485 -1.377 -9.933 -3.589 1.00 11.42 C ATOM 65 C ASP A 485 -2.266 -9.846 -2.352 1.00 54.03 C ATOM 66 O ASP A 485 -1.809 -9.476 -1.272 1.00 2.14 O ATOM 67 CB ASP A 485 -0.049 -10.601 -3.231 1.00 44.30 C ATOM 68 CG ASP A 485 -0.092 -12.106 -3.406 1.00 42.01 C ATOM 69 OD1 ASP A 485 -1.000 -12.744 -2.834 1.00 31.43 O ATOM 70 OD2 ASP A 485 0.782 -12.646 -4.116 1.00 50.42 O ATOM 0 H ASP A 485 -0.159 -8.387 -4.314 1.00 14.23 H new ATOM 0 HA ASP A 485 -1.888 -10.536 -4.340 1.00 11.42 H new ATOM 0 HB2 ASP A 485 0.742 -10.188 -3.857 1.00 44.30 H new ATOM 0 HB3 ASP A 485 0.206 -10.365 -2.198 1.00 44.30 H new ATOM 75 N MET A 486 -3.539 -10.189 -2.520 1.00 54.21 N ATOM 76 CA MET A 486 -4.493 -10.150 -1.417 1.00 44.42 C ATOM 77 C MET A 486 -5.206 -11.489 -1.267 1.00 72.55 C ATOM 78 O MET A 486 -5.877 -11.951 -2.190 1.00 62.42 O ATOM 79 CB MET A 486 -5.517 -9.035 -1.640 1.00 21.15 C ATOM 80 CG MET A 486 -5.997 -8.385 -0.352 1.00 3.00 C ATOM 81 SD MET A 486 -6.076 -6.587 -0.469 1.00 75.54 S ATOM 82 CE MET A 486 -7.320 -6.386 -1.743 1.00 22.22 C ATOM 0 H MET A 486 -3.934 -10.497 -3.409 1.00 54.21 H new ATOM 0 HA MET A 486 -3.941 -9.948 -0.499 1.00 44.42 H new ATOM 0 HB2 MET A 486 -5.077 -8.271 -2.281 1.00 21.15 H new ATOM 0 HB3 MET A 486 -6.376 -9.443 -2.174 1.00 21.15 H new ATOM 0 HG2 MET A 486 -6.984 -8.773 -0.100 1.00 3.00 H new ATOM 0 HG3 MET A 486 -5.328 -8.663 0.462 1.00 3.00 H new ATOM 0 HE1 MET A 486 -7.520 -5.325 -1.892 1.00 22.22 H new ATOM 0 HE2 MET A 486 -6.960 -6.822 -2.675 1.00 22.22 H new ATOM 0 HE3 MET A 486 -8.238 -6.889 -1.438 1.00 22.22 H new ATOM 92 N GLN A 487 -5.056 -12.108 -0.100 1.00 54.44 N ATOM 93 CA GLN A 487 -5.686 -13.395 0.168 1.00 13.10 C ATOM 94 C GLN A 487 -5.970 -13.562 1.657 1.00 21.22 C ATOM 95 O GLN A 487 -5.580 -12.725 2.472 1.00 14.41 O ATOM 96 CB GLN A 487 -4.794 -14.536 -0.325 1.00 11.44 C ATOM 97 CG GLN A 487 -4.372 -14.394 -1.778 1.00 41.51 C ATOM 98 CD GLN A 487 -3.479 -15.528 -2.240 1.00 73.41 C ATOM 99 OE1 GLN A 487 -2.673 -16.052 -1.471 1.00 33.33 O ATOM 100 NE2 GLN A 487 -3.619 -15.915 -3.503 1.00 24.02 N ATOM 0 H GLN A 487 -4.504 -11.739 0.674 1.00 54.44 H new ATOM 0 HA GLN A 487 -6.634 -13.426 -0.370 1.00 13.10 H new ATOM 0 HB2 GLN A 487 -3.903 -14.585 0.300 1.00 11.44 H new ATOM 0 HB3 GLN A 487 -5.324 -15.480 -0.200 1.00 11.44 H new ATOM 0 HG2 GLN A 487 -5.260 -14.356 -2.408 1.00 41.51 H new ATOM 0 HG3 GLN A 487 -3.848 -13.447 -1.909 1.00 41.51 H new ATOM 0 HE21 GLN A 487 -4.300 -15.453 -4.106 1.00 24.02 H new ATOM 0 HE22 GLN A 487 -3.046 -16.675 -3.870 1.00 24.02 H new ATOM 109 N LEU A 488 -6.650 -14.648 2.006 1.00 34.33 N ATOM 110 CA LEU A 488 -6.987 -14.926 3.398 1.00 1.24 C ATOM 111 C LEU A 488 -6.317 -16.211 3.875 1.00 51.32 C ATOM 112 O LEU A 488 -6.688 -17.308 3.457 1.00 41.10 O ATOM 113 CB LEU A 488 -8.504 -15.036 3.565 1.00 45.21 C ATOM 114 CG LEU A 488 -9.023 -15.030 5.003 1.00 71.20 C ATOM 115 CD1 LEU A 488 -8.876 -13.647 5.618 1.00 22.23 C ATOM 116 CD2 LEU A 488 -10.475 -15.484 5.047 1.00 1.24 C ATOM 0 H LEU A 488 -6.979 -15.351 1.344 1.00 34.33 H new ATOM 0 HA LEU A 488 -6.620 -14.099 4.006 1.00 1.24 H new ATOM 0 HB2 LEU A 488 -8.969 -14.209 3.029 1.00 45.21 H new ATOM 0 HB3 LEU A 488 -8.837 -15.956 3.084 1.00 45.21 H new ATOM 0 HG LEU A 488 -8.426 -15.730 5.588 1.00 71.20 H new ATOM 0 HD11 LEU A 488 -9.251 -13.662 6.641 1.00 22.23 H new ATOM 0 HD12 LEU A 488 -7.824 -13.360 5.621 1.00 22.23 H new ATOM 0 HD13 LEU A 488 -9.447 -12.926 5.033 1.00 22.23 H new ATOM 0 HD21 LEU A 488 -10.828 -15.474 6.078 1.00 1.24 H new ATOM 0 HD22 LEU A 488 -11.086 -14.809 4.447 1.00 1.24 H new ATOM 0 HD23 LEU A 488 -10.552 -16.495 4.647 1.00 1.24 H new ATOM 128 N TYR A 489 -5.331 -16.067 4.753 1.00 44.13 N ATOM 129 CA TYR A 489 -4.609 -17.216 5.286 1.00 2.12 C ATOM 130 C TYR A 489 -4.975 -17.459 6.747 1.00 74.20 C ATOM 131 O TYR A 489 -4.720 -16.620 7.611 1.00 52.13 O ATOM 132 CB TYR A 489 -3.100 -17.002 5.156 1.00 2.13 C ATOM 133 CG TYR A 489 -2.717 -16.049 4.047 1.00 3.50 C ATOM 134 CD1 TYR A 489 -2.660 -14.678 4.270 1.00 22.42 C ATOM 135 CD2 TYR A 489 -2.410 -16.518 2.776 1.00 75.43 C ATOM 136 CE1 TYR A 489 -2.311 -13.804 3.259 1.00 10.13 C ATOM 137 CE2 TYR A 489 -2.059 -15.651 1.759 1.00 32.31 C ATOM 138 CZ TYR A 489 -2.011 -14.295 2.006 1.00 74.13 C ATOM 139 OH TYR A 489 -1.662 -13.427 0.997 1.00 71.35 O ATOM 0 H TYR A 489 -5.013 -15.166 5.111 1.00 44.13 H new ATOM 0 HA TYR A 489 -4.896 -18.094 4.707 1.00 2.12 H new ATOM 0 HB2 TYR A 489 -2.713 -16.621 6.101 1.00 2.13 H new ATOM 0 HB3 TYR A 489 -2.619 -17.964 4.979 1.00 2.13 H new ATOM 0 HD1 TYR A 489 -2.893 -14.290 5.251 1.00 22.42 H new ATOM 0 HD2 TYR A 489 -2.446 -17.579 2.579 1.00 75.43 H new ATOM 0 HE1 TYR A 489 -2.273 -12.742 3.449 1.00 10.13 H new ATOM 0 HE2 TYR A 489 -1.824 -16.033 0.777 1.00 32.31 H new ATOM 0 HH TYR A 489 -1.481 -13.934 0.178 1.00 71.35 H new ATOM 149 N ARG A 490 -5.575 -18.615 7.015 1.00 11.51 N ATOM 150 CA ARG A 490 -5.978 -18.970 8.371 1.00 41.35 C ATOM 151 C ARG A 490 -4.975 -19.931 9.001 1.00 30.34 C ATOM 152 O ARG A 490 -4.599 -20.936 8.397 1.00 70.01 O ATOM 153 CB ARG A 490 -7.371 -19.602 8.362 1.00 1.12 C ATOM 154 CG ARG A 490 -7.429 -20.937 7.639 1.00 74.42 C ATOM 155 CD ARG A 490 -7.376 -22.102 8.615 1.00 61.42 C ATOM 156 NE ARG A 490 -8.710 -22.558 8.997 1.00 2.54 N ATOM 157 CZ ARG A 490 -9.455 -23.361 8.247 1.00 34.12 C ATOM 158 NH1 ARG A 490 -9.000 -23.796 7.081 1.00 63.24 N ATOM 159 NH2 ARG A 490 -10.660 -23.732 8.664 1.00 44.51 N ATOM 0 H ARG A 490 -5.793 -19.321 6.312 1.00 11.51 H new ATOM 0 HA ARG A 490 -6.005 -18.058 8.967 1.00 41.35 H new ATOM 0 HB2 ARG A 490 -7.705 -19.741 9.390 1.00 1.12 H new ATOM 0 HB3 ARG A 490 -8.071 -18.912 7.890 1.00 1.12 H new ATOM 0 HG2 ARG A 490 -8.345 -20.994 7.052 1.00 74.42 H new ATOM 0 HG3 ARG A 490 -6.597 -21.009 6.939 1.00 74.42 H new ATOM 0 HD2 ARG A 490 -6.826 -22.928 8.164 1.00 61.42 H new ATOM 0 HD3 ARG A 490 -6.826 -21.803 9.507 1.00 61.42 H new ATOM 0 HE ARG A 490 -9.090 -22.242 9.889 1.00 2.54 H new ATOM 0 HH11 ARG A 490 -8.075 -23.514 6.757 1.00 63.24 H new ATOM 0 HH12 ARG A 490 -9.575 -24.413 6.507 1.00 63.24 H new ATOM 0 HH21 ARG A 490 -11.014 -23.400 9.561 1.00 44.51 H new ATOM 0 HH22 ARG A 490 -11.232 -24.349 8.087 1.00 44.51 H new ATOM 173 N ILE A 491 -4.546 -19.616 10.219 1.00 40.23 N ATOM 174 CA ILE A 491 -3.588 -20.452 10.931 1.00 44.21 C ATOM 175 C ILE A 491 -4.286 -21.333 11.961 1.00 61.43 C ATOM 176 O ILE A 491 -5.472 -21.159 12.239 1.00 3.41 O ATOM 177 CB ILE A 491 -2.517 -19.602 11.641 1.00 54.23 C ATOM 178 CG1 ILE A 491 -3.156 -18.757 12.745 1.00 23.13 C ATOM 179 CG2 ILE A 491 -1.795 -18.714 10.638 1.00 32.11 C ATOM 180 CD1 ILE A 491 -2.154 -17.963 13.554 1.00 21.22 C ATOM 0 H ILE A 491 -4.847 -18.788 10.733 1.00 40.23 H new ATOM 0 HA ILE A 491 -3.104 -21.082 10.185 1.00 44.21 H new ATOM 0 HB ILE A 491 -1.787 -20.270 12.097 1.00 54.23 H new ATOM 0 HG12 ILE A 491 -3.874 -18.071 12.296 1.00 23.13 H new ATOM 0 HG13 ILE A 491 -3.715 -19.411 13.414 1.00 23.13 H new ATOM 0 HG21 ILE A 491 -1.041 -18.120 11.155 1.00 32.11 H new ATOM 0 HG22 ILE A 491 -1.312 -19.335 9.883 1.00 32.11 H new ATOM 0 HG23 ILE A 491 -2.513 -18.050 10.157 1.00 32.11 H new ATOM 0 HD11 ILE A 491 -2.677 -17.388 14.318 1.00 21.22 H new ATOM 0 HD12 ILE A 491 -1.450 -18.645 14.031 1.00 21.22 H new ATOM 0 HD13 ILE A 491 -1.612 -17.284 12.896 1.00 21.22 H new ATOM 192 N GLU A 492 -3.541 -22.280 12.524 1.00 52.31 N ATOM 193 CA GLU A 492 -4.089 -23.188 13.524 1.00 15.02 C ATOM 194 C GLU A 492 -3.748 -22.715 14.934 1.00 11.42 C ATOM 195 O GLU A 492 -3.271 -23.490 15.763 1.00 34.12 O ATOM 196 CB GLU A 492 -3.554 -24.605 13.307 1.00 55.14 C ATOM 197 CG GLU A 492 -4.285 -25.663 14.117 1.00 51.53 C ATOM 198 CD GLU A 492 -4.120 -27.056 13.541 1.00 54.41 C ATOM 199 OE1 GLU A 492 -3.436 -27.884 14.177 1.00 72.01 O ATOM 200 OE2 GLU A 492 -4.677 -27.317 12.454 1.00 44.15 O ATOM 0 H GLU A 492 -2.557 -22.438 12.304 1.00 52.31 H new ATOM 0 HA GLU A 492 -5.173 -23.196 13.414 1.00 15.02 H new ATOM 0 HB2 GLU A 492 -3.629 -24.854 12.248 1.00 55.14 H new ATOM 0 HB3 GLU A 492 -2.496 -24.628 13.566 1.00 55.14 H new ATOM 0 HG2 GLU A 492 -3.914 -25.651 15.142 1.00 51.53 H new ATOM 0 HG3 GLU A 492 -5.345 -25.415 14.159 1.00 51.53 H new ATOM 207 N VAL A 493 -3.995 -21.436 15.199 1.00 51.42 N ATOM 208 CA VAL A 493 -3.715 -20.858 16.508 1.00 41.33 C ATOM 209 C VAL A 493 -4.792 -19.856 16.908 1.00 31.02 C ATOM 210 O VAL A 493 -5.224 -19.036 16.099 1.00 3.11 O ATOM 211 CB VAL A 493 -2.344 -20.157 16.530 1.00 43.41 C ATOM 212 CG1 VAL A 493 -1.941 -19.816 17.957 1.00 40.35 C ATOM 213 CG2 VAL A 493 -1.290 -21.028 15.863 1.00 4.43 C ATOM 0 H VAL A 493 -4.389 -20.780 14.524 1.00 51.42 H new ATOM 0 HA VAL A 493 -3.706 -21.681 17.222 1.00 41.33 H new ATOM 0 HB VAL A 493 -2.422 -19.226 15.968 1.00 43.41 H new ATOM 0 HG11 VAL A 493 -0.970 -19.321 17.952 1.00 40.35 H new ATOM 0 HG12 VAL A 493 -2.685 -19.151 18.396 1.00 40.35 H new ATOM 0 HG13 VAL A 493 -1.879 -20.731 18.546 1.00 40.35 H new ATOM 0 HG21 VAL A 493 -0.327 -20.517 15.887 1.00 4.43 H new ATOM 0 HG22 VAL A 493 -1.211 -21.976 16.395 1.00 4.43 H new ATOM 0 HG23 VAL A 493 -1.575 -21.216 14.828 1.00 4.43 H new ATOM 223 N GLY A 494 -5.223 -19.928 18.164 1.00 24.43 N ATOM 224 CA GLY A 494 -6.246 -19.022 18.651 1.00 0.01 C ATOM 225 C GLY A 494 -6.055 -18.662 20.111 1.00 31.42 C ATOM 226 O GLY A 494 -5.015 -18.959 20.700 1.00 73.24 O ATOM 0 H GLY A 494 -4.881 -20.598 18.853 1.00 24.43 H new ATOM 0 HA2 GLY A 494 -6.236 -18.112 18.051 1.00 0.01 H new ATOM 0 HA3 GLY A 494 -7.226 -19.480 18.518 1.00 0.01 H new ATOM 230 N ARG A 495 -7.060 -18.020 20.697 1.00 12.11 N ATOM 231 CA ARG A 495 -6.997 -17.617 22.097 1.00 42.33 C ATOM 232 C ARG A 495 -6.702 -18.814 22.995 1.00 64.53 C ATOM 233 O ARG A 495 -5.994 -18.694 23.995 1.00 41.32 O ATOM 234 CB ARG A 495 -8.312 -16.960 22.520 1.00 1.03 C ATOM 235 CG ARG A 495 -9.543 -17.774 22.159 1.00 34.43 C ATOM 236 CD ARG A 495 -10.813 -17.134 22.698 1.00 2.34 C ATOM 237 NE ARG A 495 -11.980 -17.992 22.514 1.00 50.21 N ATOM 238 CZ ARG A 495 -13.232 -17.551 22.569 1.00 30.43 C ATOM 239 NH1 ARG A 495 -13.478 -16.270 22.802 1.00 3.43 N ATOM 240 NH2 ARG A 495 -14.241 -18.394 22.391 1.00 75.01 N ATOM 0 H ARG A 495 -7.928 -17.768 20.224 1.00 12.11 H new ATOM 0 HA ARG A 495 -6.187 -16.896 22.205 1.00 42.33 H new ATOM 0 HB2 ARG A 495 -8.297 -16.798 23.598 1.00 1.03 H new ATOM 0 HB3 ARG A 495 -8.385 -15.979 22.051 1.00 1.03 H new ATOM 0 HG2 ARG A 495 -9.613 -17.868 21.075 1.00 34.43 H new ATOM 0 HG3 ARG A 495 -9.444 -18.783 22.560 1.00 34.43 H new ATOM 0 HD2 ARG A 495 -10.687 -16.916 23.759 1.00 2.34 H new ATOM 0 HD3 ARG A 495 -10.981 -16.182 22.195 1.00 2.34 H new ATOM 0 HE ARG A 495 -11.826 -18.984 22.333 1.00 50.21 H new ATOM 0 HH11 ARG A 495 -12.705 -15.619 22.940 1.00 3.43 H new ATOM 0 HH12 ARG A 495 -14.440 -15.935 22.844 1.00 3.43 H new ATOM 0 HH21 ARG A 495 -14.056 -19.381 22.212 1.00 75.01 H new ATOM 0 HH22 ARG A 495 -15.202 -18.055 22.433 1.00 75.01 H new ATOM 254 N ASP A 496 -7.249 -19.969 22.631 1.00 42.00 N ATOM 255 CA ASP A 496 -7.044 -21.189 23.403 1.00 61.10 C ATOM 256 C ASP A 496 -5.613 -21.694 23.251 1.00 25.32 C ATOM 257 O ASP A 496 -5.134 -22.488 24.062 1.00 15.32 O ATOM 258 CB ASP A 496 -8.030 -22.271 22.958 1.00 5.14 C ATOM 259 CG ASP A 496 -8.286 -23.300 24.041 1.00 33.52 C ATOM 260 OD1 ASP A 496 -8.032 -22.993 25.224 1.00 5.12 O ATOM 261 OD2 ASP A 496 -8.741 -24.414 23.706 1.00 73.25 O ATOM 0 H ASP A 496 -7.838 -20.086 21.806 1.00 42.00 H new ATOM 0 HA ASP A 496 -7.219 -20.959 24.454 1.00 61.10 H new ATOM 0 HB2 ASP A 496 -8.973 -21.804 22.674 1.00 5.14 H new ATOM 0 HB3 ASP A 496 -7.641 -22.770 22.071 1.00 5.14 H new ATOM 266 N ASP A 497 -4.934 -21.230 22.207 1.00 35.24 N ATOM 267 CA ASP A 497 -3.557 -21.635 21.949 1.00 55.20 C ATOM 268 C ASP A 497 -2.575 -20.641 22.561 1.00 31.34 C ATOM 269 O ASP A 497 -1.545 -21.030 23.110 1.00 2.33 O ATOM 270 CB ASP A 497 -3.312 -21.752 20.444 1.00 62.01 C ATOM 271 CG ASP A 497 -2.074 -22.566 20.121 1.00 73.10 C ATOM 272 OD1 ASP A 497 -1.119 -22.536 20.924 1.00 23.00 O ATOM 273 OD2 ASP A 497 -2.061 -23.233 19.065 1.00 51.43 O ATOM 0 H ASP A 497 -5.315 -20.573 21.526 1.00 35.24 H new ATOM 0 HA ASP A 497 -3.397 -22.608 22.412 1.00 55.20 H new ATOM 0 HB2 ASP A 497 -4.180 -22.213 19.972 1.00 62.01 H new ATOM 0 HB3 ASP A 497 -3.209 -20.754 20.017 1.00 62.01 H new ATOM 278 N GLY A 498 -2.902 -19.356 22.462 1.00 24.23 N ATOM 279 CA GLY A 498 -2.037 -18.327 23.010 1.00 53.13 C ATOM 280 C GLY A 498 -1.813 -17.183 22.041 1.00 44.10 C ATOM 281 O GLY A 498 -0.729 -16.601 21.997 1.00 2.42 O ATOM 0 H GLY A 498 -3.750 -19.009 22.013 1.00 24.23 H new ATOM 0 HA2 GLY A 498 -2.475 -17.940 23.930 1.00 53.13 H new ATOM 0 HA3 GLY A 498 -1.076 -18.768 23.276 1.00 53.13 H new ATOM 285 N VAL A 499 -2.839 -16.860 21.260 1.00 21.33 N ATOM 286 CA VAL A 499 -2.748 -15.779 20.287 1.00 55.33 C ATOM 287 C VAL A 499 -3.996 -14.903 20.321 1.00 42.21 C ATOM 288 O VAL A 499 -5.095 -15.382 20.599 1.00 5.20 O ATOM 289 CB VAL A 499 -2.556 -16.323 18.859 1.00 71.41 C ATOM 290 CG1 VAL A 499 -3.884 -16.789 18.281 1.00 11.52 C ATOM 291 CG2 VAL A 499 -1.918 -15.268 17.968 1.00 30.30 C ATOM 0 H VAL A 499 -3.743 -17.332 21.283 1.00 21.33 H new ATOM 0 HA VAL A 499 -1.879 -15.180 20.560 1.00 55.33 H new ATOM 0 HB VAL A 499 -1.886 -17.181 18.904 1.00 71.41 H new ATOM 0 HG11 VAL A 499 -3.728 -17.170 17.272 1.00 11.52 H new ATOM 0 HG12 VAL A 499 -4.296 -17.580 18.908 1.00 11.52 H new ATOM 0 HG13 VAL A 499 -4.581 -15.951 18.249 1.00 11.52 H new ATOM 0 HG21 VAL A 499 -1.790 -15.670 16.963 1.00 30.30 H new ATOM 0 HG22 VAL A 499 -2.561 -14.389 17.928 1.00 30.30 H new ATOM 0 HG23 VAL A 499 -0.946 -14.989 18.374 1.00 30.30 H new ATOM 301 N GLU A 500 -3.817 -13.617 20.036 1.00 52.34 N ATOM 302 CA GLU A 500 -4.929 -12.674 20.034 1.00 13.43 C ATOM 303 C GLU A 500 -5.019 -11.940 18.699 1.00 4.45 C ATOM 304 O GLU A 500 -4.288 -12.249 17.758 1.00 53.11 O ATOM 305 CB GLU A 500 -4.773 -11.665 21.174 1.00 0.21 C ATOM 306 CG GLU A 500 -4.283 -12.284 22.472 1.00 30.32 C ATOM 307 CD GLU A 500 -4.825 -11.575 23.698 1.00 33.30 C ATOM 308 OE1 GLU A 500 -4.870 -10.327 23.691 1.00 35.50 O ATOM 309 OE2 GLU A 500 -5.205 -12.269 24.665 1.00 63.34 O ATOM 0 H GLU A 500 -2.913 -13.205 19.804 1.00 52.34 H new ATOM 0 HA GLU A 500 -5.850 -13.238 20.181 1.00 13.43 H new ATOM 0 HB2 GLU A 500 -4.075 -10.887 20.866 1.00 0.21 H new ATOM 0 HB3 GLU A 500 -5.733 -11.180 21.352 1.00 0.21 H new ATOM 0 HG2 GLU A 500 -4.578 -13.333 22.504 1.00 30.32 H new ATOM 0 HG3 GLU A 500 -3.194 -12.258 22.494 1.00 30.32 H new ATOM 316 N VAL A 501 -5.920 -10.965 18.626 1.00 60.33 N ATOM 317 CA VAL A 501 -6.106 -10.186 17.407 1.00 24.24 C ATOM 318 C VAL A 501 -4.991 -9.161 17.236 1.00 42.52 C ATOM 319 O VAL A 501 -4.575 -8.862 16.116 1.00 11.22 O ATOM 320 CB VAL A 501 -7.463 -9.458 17.408 1.00 3.22 C ATOM 321 CG1 VAL A 501 -7.605 -8.592 16.166 1.00 41.31 C ATOM 322 CG2 VAL A 501 -8.604 -10.459 17.504 1.00 51.22 C ATOM 0 H VAL A 501 -6.532 -10.696 19.396 1.00 60.33 H new ATOM 0 HA VAL A 501 -6.081 -10.889 16.574 1.00 24.24 H new ATOM 0 HB VAL A 501 -7.507 -8.808 18.282 1.00 3.22 H new ATOM 0 HG11 VAL A 501 -8.570 -8.085 16.184 1.00 41.31 H new ATOM 0 HG12 VAL A 501 -6.806 -7.851 16.146 1.00 41.31 H new ATOM 0 HG13 VAL A 501 -7.541 -9.218 15.276 1.00 41.31 H new ATOM 0 HG21 VAL A 501 -9.556 -9.927 17.503 1.00 51.22 H new ATOM 0 HG22 VAL A 501 -8.566 -11.136 16.651 1.00 51.22 H new ATOM 0 HG23 VAL A 501 -8.509 -11.032 18.427 1.00 51.22 H new ATOM 332 N ARG A 502 -4.510 -8.625 18.353 1.00 13.40 N ATOM 333 CA ARG A 502 -3.443 -7.631 18.327 1.00 74.34 C ATOM 334 C ARG A 502 -2.074 -8.304 18.347 1.00 42.34 C ATOM 335 O ARG A 502 -1.041 -7.634 18.302 1.00 31.35 O ATOM 336 CB ARG A 502 -3.574 -6.680 19.517 1.00 2.14 C ATOM 337 CG ARG A 502 -3.628 -7.389 20.861 1.00 71.24 C ATOM 338 CD ARG A 502 -3.258 -6.453 22.000 1.00 21.13 C ATOM 339 NE ARG A 502 -4.330 -5.508 22.303 1.00 63.33 N ATOM 340 CZ ARG A 502 -5.479 -5.858 22.870 1.00 2.52 C ATOM 341 NH1 ARG A 502 -5.704 -7.123 23.195 1.00 22.04 N ATOM 342 NH2 ARG A 502 -6.406 -4.940 23.114 1.00 43.22 N ATOM 0 H ARG A 502 -4.842 -8.862 19.288 1.00 13.40 H new ATOM 0 HA ARG A 502 -3.534 -7.060 17.403 1.00 74.34 H new ATOM 0 HB2 ARG A 502 -2.731 -5.989 19.514 1.00 2.14 H new ATOM 0 HB3 ARG A 502 -4.477 -6.081 19.395 1.00 2.14 H new ATOM 0 HG2 ARG A 502 -4.630 -7.785 21.025 1.00 71.24 H new ATOM 0 HG3 ARG A 502 -2.947 -8.240 20.852 1.00 71.24 H new ATOM 0 HD2 ARG A 502 -3.029 -7.039 22.890 1.00 21.13 H new ATOM 0 HD3 ARG A 502 -2.354 -5.904 21.738 1.00 21.13 H new ATOM 0 HE ARG A 502 -4.188 -4.526 22.066 1.00 63.33 H new ATOM 0 HH11 ARG A 502 -4.994 -7.831 23.010 1.00 22.04 H new ATOM 0 HH12 ARG A 502 -6.587 -7.388 23.630 1.00 22.04 H new ATOM 0 HH21 ARG A 502 -6.236 -3.965 22.866 1.00 43.22 H new ATOM 0 HH22 ARG A 502 -7.288 -5.209 23.549 1.00 43.22 H new ATOM 356 N HIS A 503 -2.073 -9.631 18.414 1.00 60.31 N ATOM 357 CA HIS A 503 -0.830 -10.395 18.440 1.00 54.32 C ATOM 358 C HIS A 503 -0.299 -10.616 17.027 1.00 50.32 C ATOM 359 O HIS A 503 0.827 -10.231 16.710 1.00 51.13 O ATOM 360 CB HIS A 503 -1.048 -11.741 19.132 1.00 53.34 C ATOM 361 CG HIS A 503 0.149 -12.225 19.890 1.00 13.25 C ATOM 362 ND1 HIS A 503 1.428 -11.771 19.648 1.00 71.04 N ATOM 363 CD2 HIS A 503 0.255 -13.127 20.893 1.00 24.55 C ATOM 364 CE1 HIS A 503 2.270 -12.375 20.467 1.00 11.21 C ATOM 365 NE2 HIS A 503 1.584 -13.203 21.234 1.00 54.21 N ATOM 0 H HIS A 503 -2.919 -10.200 18.451 1.00 60.31 H new ATOM 0 HA HIS A 503 -0.092 -9.822 19.001 1.00 54.32 H new ATOM 0 HB2 HIS A 503 -1.892 -11.656 19.817 1.00 53.34 H new ATOM 0 HB3 HIS A 503 -1.319 -12.485 18.383 1.00 53.34 H new ATOM 0 HD2 HIS A 503 -0.554 -13.684 21.342 1.00 24.55 H new ATOM 0 HE1 HIS A 503 3.338 -12.218 20.503 1.00 11.21 H new ATOM 0 HE2 HIS A 503 1.977 -13.801 21.961 1.00 54.21 H new ATOM 373 N ILE A 504 -1.116 -11.238 16.183 1.00 2.14 N ATOM 374 CA ILE A 504 -0.727 -11.509 14.805 1.00 75.41 C ATOM 375 C ILE A 504 -0.680 -10.225 13.984 1.00 31.21 C ATOM 376 O ILE A 504 0.036 -10.139 12.986 1.00 22.24 O ATOM 377 CB ILE A 504 -1.696 -12.500 14.132 1.00 62.10 C ATOM 378 CG1 ILE A 504 -2.983 -11.786 13.716 1.00 52.43 C ATOM 379 CG2 ILE A 504 -2.005 -13.658 15.069 1.00 14.44 C ATOM 380 CD1 ILE A 504 -3.860 -11.391 14.884 1.00 43.45 C ATOM 0 H ILE A 504 -2.051 -11.563 16.430 1.00 2.14 H new ATOM 0 HA ILE A 504 0.268 -11.952 14.839 1.00 75.41 H new ATOM 0 HB ILE A 504 -1.219 -12.900 13.237 1.00 62.10 H new ATOM 0 HG12 ILE A 504 -2.726 -10.893 13.147 1.00 52.43 H new ATOM 0 HG13 ILE A 504 -3.550 -12.436 13.050 1.00 52.43 H new ATOM 0 HG21 ILE A 504 -2.691 -14.349 14.579 1.00 14.44 H new ATOM 0 HG22 ILE A 504 -1.081 -14.180 15.320 1.00 14.44 H new ATOM 0 HG23 ILE A 504 -2.465 -13.276 15.980 1.00 14.44 H new ATOM 0 HD11 ILE A 504 -4.754 -10.890 14.514 1.00 43.45 H new ATOM 0 HD12 ILE A 504 -4.148 -12.283 15.441 1.00 43.45 H new ATOM 0 HD13 ILE A 504 -3.310 -10.716 15.540 1.00 43.45 H new ATOM 392 N VAL A 505 -1.447 -9.227 14.412 1.00 61.22 N ATOM 393 CA VAL A 505 -1.491 -7.945 13.718 1.00 23.35 C ATOM 394 C VAL A 505 -0.285 -7.084 14.079 1.00 71.45 C ATOM 395 O VAL A 505 0.480 -6.674 13.207 1.00 1.32 O ATOM 396 CB VAL A 505 -2.779 -7.170 14.052 1.00 31.34 C ATOM 397 CG1 VAL A 505 -2.701 -5.749 13.517 1.00 11.54 C ATOM 398 CG2 VAL A 505 -3.995 -7.893 13.493 1.00 32.11 C ATOM 0 H VAL A 505 -2.046 -9.282 15.236 1.00 61.22 H new ATOM 0 HA VAL A 505 -1.473 -8.162 12.650 1.00 23.35 H new ATOM 0 HB VAL A 505 -2.881 -7.119 15.136 1.00 31.34 H new ATOM 0 HG11 VAL A 505 -3.620 -5.217 13.763 1.00 11.54 H new ATOM 0 HG12 VAL A 505 -1.853 -5.236 13.970 1.00 11.54 H new ATOM 0 HG13 VAL A 505 -2.574 -5.774 12.435 1.00 11.54 H new ATOM 0 HG21 VAL A 505 -4.897 -7.332 13.738 1.00 32.11 H new ATOM 0 HG22 VAL A 505 -3.903 -7.976 12.410 1.00 32.11 H new ATOM 0 HG23 VAL A 505 -4.058 -8.890 13.930 1.00 32.11 H new ATOM 408 N GLY A 506 -0.122 -6.815 15.370 1.00 4.03 N ATOM 409 CA GLY A 506 0.994 -6.004 15.824 1.00 74.43 C ATOM 410 C GLY A 506 2.335 -6.610 15.462 1.00 43.21 C ATOM 411 O GLY A 506 3.348 -5.912 15.421 1.00 51.21 O ATOM 0 H GLY A 506 -0.742 -7.144 16.110 1.00 4.03 H new ATOM 0 HA2 GLY A 506 0.918 -5.009 15.386 1.00 74.43 H new ATOM 0 HA3 GLY A 506 0.934 -5.881 16.905 1.00 74.43 H new ATOM 415 N ALA A 507 2.344 -7.913 15.200 1.00 15.23 N ATOM 416 CA ALA A 507 3.571 -8.612 14.840 1.00 52.10 C ATOM 417 C ALA A 507 3.970 -8.313 13.399 1.00 73.42 C ATOM 418 O ALA A 507 5.053 -7.787 13.141 1.00 15.32 O ATOM 419 CB ALA A 507 3.404 -10.110 15.044 1.00 71.41 C ATOM 0 H ALA A 507 1.515 -8.506 15.230 1.00 15.23 H new ATOM 0 HA ALA A 507 4.368 -8.255 15.492 1.00 52.10 H new ATOM 0 HB1 ALA A 507 4.328 -10.620 14.771 1.00 71.41 H new ATOM 0 HB2 ALA A 507 3.174 -10.311 16.090 1.00 71.41 H new ATOM 0 HB3 ALA A 507 2.590 -10.474 14.417 1.00 71.41 H new ATOM 425 N ILE A 508 3.089 -8.654 12.464 1.00 44.45 N ATOM 426 CA ILE A 508 3.351 -8.421 11.049 1.00 74.35 C ATOM 427 C ILE A 508 3.378 -6.930 10.732 1.00 4.23 C ATOM 428 O ILE A 508 4.069 -6.493 9.812 1.00 3.35 O ATOM 429 CB ILE A 508 2.292 -9.103 10.161 1.00 23.13 C ATOM 430 CG1 ILE A 508 0.910 -8.505 10.428 1.00 54.43 C ATOM 431 CG2 ILE A 508 2.282 -10.604 10.408 1.00 62.34 C ATOM 432 CD1 ILE A 508 0.563 -7.353 9.510 1.00 34.03 C ATOM 0 H ILE A 508 2.189 -9.092 12.661 1.00 44.45 H new ATOM 0 HA ILE A 508 4.328 -8.853 10.834 1.00 74.35 H new ATOM 0 HB ILE A 508 2.547 -8.928 9.116 1.00 23.13 H new ATOM 0 HG12 ILE A 508 0.158 -9.286 10.318 1.00 54.43 H new ATOM 0 HG13 ILE A 508 0.865 -8.162 11.462 1.00 54.43 H new ATOM 0 HG21 ILE A 508 1.529 -11.072 9.774 1.00 62.34 H new ATOM 0 HG22 ILE A 508 3.263 -11.018 10.173 1.00 62.34 H new ATOM 0 HG23 ILE A 508 2.047 -10.799 11.454 1.00 62.34 H new ATOM 0 HD11 ILE A 508 -0.431 -6.978 9.756 1.00 34.03 H new ATOM 0 HD12 ILE A 508 1.294 -6.554 9.636 1.00 34.03 H new ATOM 0 HD13 ILE A 508 0.575 -7.696 8.475 1.00 34.03 H new ATOM 444 N ALA A 509 2.624 -6.153 11.502 1.00 35.14 N ATOM 445 CA ALA A 509 2.564 -4.710 11.307 1.00 5.22 C ATOM 446 C ALA A 509 3.842 -4.037 11.797 1.00 1.22 C ATOM 447 O ALA A 509 4.191 -2.946 11.348 1.00 4.15 O ATOM 448 CB ALA A 509 1.353 -4.130 12.021 1.00 13.35 C ATOM 0 H ALA A 509 2.046 -6.499 12.268 1.00 35.14 H new ATOM 0 HA ALA A 509 2.468 -4.516 10.239 1.00 5.22 H new ATOM 0 HB1 ALA A 509 1.321 -3.051 11.866 1.00 13.35 H new ATOM 0 HB2 ALA A 509 0.445 -4.581 11.621 1.00 13.35 H new ATOM 0 HB3 ALA A 509 1.424 -4.342 13.088 1.00 13.35 H new ATOM 454 N ASN A 510 4.535 -4.695 12.721 1.00 1.41 N ATOM 455 CA ASN A 510 5.774 -4.159 13.273 1.00 10.50 C ATOM 456 C ASN A 510 6.986 -4.723 12.538 1.00 20.45 C ATOM 457 O ASN A 510 8.048 -4.102 12.504 1.00 33.33 O ATOM 458 CB ASN A 510 5.873 -4.480 14.766 1.00 52.13 C ATOM 459 CG ASN A 510 4.957 -3.611 15.606 1.00 40.00 C ATOM 460 OD1 ASN A 510 4.020 -2.999 15.093 1.00 71.54 O ATOM 461 ND2 ASN A 510 5.225 -3.553 16.905 1.00 2.43 N ATOM 0 H ASN A 510 4.260 -5.600 13.103 1.00 1.41 H new ATOM 0 HA ASN A 510 5.763 -3.077 13.141 1.00 10.50 H new ATOM 0 HB2 ASN A 510 5.623 -5.529 14.927 1.00 52.13 H new ATOM 0 HB3 ASN A 510 6.903 -4.344 15.097 1.00 52.13 H new ATOM 0 HD21 ASN A 510 4.644 -2.984 17.521 1.00 2.43 H new ATOM 0 HD22 ASN A 510 6.012 -4.077 17.287 1.00 2.43 H new ATOM 468 N GLU A 511 6.818 -5.905 11.952 1.00 42.51 N ATOM 469 CA GLU A 511 7.899 -6.553 11.218 1.00 11.33 C ATOM 470 C GLU A 511 8.266 -5.753 9.972 1.00 44.13 C ATOM 471 O GLU A 511 9.439 -5.479 9.720 1.00 0.42 O ATOM 472 CB GLU A 511 7.496 -7.975 10.824 1.00 23.45 C ATOM 473 CG GLU A 511 7.740 -9.002 11.918 1.00 11.31 C ATOM 474 CD GLU A 511 7.471 -10.421 11.457 1.00 51.12 C ATOM 475 OE1 GLU A 511 7.443 -11.328 12.315 1.00 15.32 O ATOM 476 OE2 GLU A 511 7.289 -10.625 10.238 1.00 0.05 O ATOM 0 H GLU A 511 5.945 -6.432 11.971 1.00 42.51 H new ATOM 0 HA GLU A 511 8.771 -6.598 11.870 1.00 11.33 H new ATOM 0 HB2 GLU A 511 6.439 -7.984 10.558 1.00 23.45 H new ATOM 0 HB3 GLU A 511 8.051 -8.267 9.933 1.00 23.45 H new ATOM 0 HG2 GLU A 511 8.772 -8.925 12.260 1.00 11.31 H new ATOM 0 HG3 GLU A 511 7.103 -8.775 12.773 1.00 11.31 H new ATOM 483 N GLY A 512 7.254 -5.382 9.194 1.00 71.24 N ATOM 484 CA GLY A 512 7.490 -4.619 7.982 1.00 2.54 C ATOM 485 C GLY A 512 6.868 -3.237 8.037 1.00 21.32 C ATOM 486 O GLY A 512 6.890 -2.580 9.078 1.00 33.20 O ATOM 0 H GLY A 512 6.274 -5.596 9.381 1.00 71.24 H new ATOM 0 HA2 GLY A 512 8.564 -4.525 7.819 1.00 2.54 H new ATOM 0 HA3 GLY A 512 7.084 -5.163 7.129 1.00 2.54 H new ATOM 490 N ASP A 513 6.314 -2.795 6.914 1.00 73.11 N ATOM 491 CA ASP A 513 5.683 -1.482 6.838 1.00 62.33 C ATOM 492 C ASP A 513 4.179 -1.587 7.071 1.00 63.41 C ATOM 493 O ASP A 513 3.506 -0.583 7.306 1.00 23.41 O ATOM 494 CB ASP A 513 5.957 -0.840 5.477 1.00 2.52 C ATOM 495 CG ASP A 513 5.927 0.675 5.536 1.00 51.12 C ATOM 496 OD1 ASP A 513 6.338 1.316 4.545 1.00 33.15 O ATOM 497 OD2 ASP A 513 5.492 1.220 6.572 1.00 73.33 O ATOM 0 H ASP A 513 6.289 -3.326 6.044 1.00 73.11 H new ATOM 0 HA ASP A 513 6.110 -0.855 7.620 1.00 62.33 H new ATOM 0 HB2 ASP A 513 6.931 -1.168 5.113 1.00 2.52 H new ATOM 0 HB3 ASP A 513 5.215 -1.188 4.758 1.00 2.52 H new ATOM 502 N ILE A 514 3.659 -2.808 7.003 1.00 22.20 N ATOM 503 CA ILE A 514 2.235 -3.044 7.207 1.00 43.32 C ATOM 504 C ILE A 514 1.749 -2.391 8.496 1.00 10.41 C ATOM 505 O ILE A 514 2.468 -2.352 9.494 1.00 22.43 O ATOM 506 CB ILE A 514 1.915 -4.549 7.255 1.00 71.42 C ATOM 507 CG1 ILE A 514 2.334 -5.224 5.947 1.00 24.22 C ATOM 508 CG2 ILE A 514 0.432 -4.767 7.518 1.00 64.32 C ATOM 509 CD1 ILE A 514 2.676 -6.689 6.106 1.00 71.31 C ATOM 0 H ILE A 514 4.202 -3.649 6.808 1.00 22.20 H new ATOM 0 HA ILE A 514 1.716 -2.598 6.358 1.00 43.32 H new ATOM 0 HB ILE A 514 2.479 -4.999 8.072 1.00 71.42 H new ATOM 0 HG12 ILE A 514 1.527 -5.124 5.221 1.00 24.22 H new ATOM 0 HG13 ILE A 514 3.198 -4.700 5.537 1.00 24.22 H new ATOM 0 HG21 ILE A 514 0.221 -5.836 7.549 1.00 64.32 H new ATOM 0 HG22 ILE A 514 0.162 -4.316 8.473 1.00 64.32 H new ATOM 0 HG23 ILE A 514 -0.151 -4.305 6.721 1.00 64.32 H new ATOM 0 HD11 ILE A 514 2.964 -7.102 5.139 1.00 71.31 H new ATOM 0 HD12 ILE A 514 3.504 -6.795 6.807 1.00 71.31 H new ATOM 0 HD13 ILE A 514 1.807 -7.226 6.486 1.00 71.31 H new ATOM 521 N SER A 515 0.523 -1.879 8.468 1.00 75.02 N ATOM 522 CA SER A 515 -0.060 -1.225 9.634 1.00 71.32 C ATOM 523 C SER A 515 -1.275 -1.998 10.139 1.00 10.41 C ATOM 524 O SER A 515 -1.776 -2.898 9.465 1.00 15.53 O ATOM 525 CB SER A 515 -0.461 0.211 9.293 1.00 44.25 C ATOM 526 OG SER A 515 -0.342 1.056 10.424 1.00 50.20 O ATOM 0 H SER A 515 -0.086 -1.904 7.650 1.00 75.02 H new ATOM 0 HA SER A 515 0.692 -1.207 10.423 1.00 71.32 H new ATOM 0 HB2 SER A 515 0.169 0.586 8.487 1.00 44.25 H new ATOM 0 HB3 SER A 515 -1.488 0.228 8.929 1.00 44.25 H new ATOM 0 HG SER A 515 -0.602 1.969 10.179 1.00 50.20 H new ATOM 532 N SER A 516 -1.743 -1.639 11.330 1.00 10.33 N ATOM 533 CA SER A 516 -2.897 -2.300 11.929 1.00 2.41 C ATOM 534 C SER A 516 -4.168 -1.990 11.144 1.00 20.13 C ATOM 535 O SER A 516 -5.136 -2.749 11.185 1.00 32.34 O ATOM 536 CB SER A 516 -3.063 -1.861 13.385 1.00 33.23 C ATOM 537 OG SER A 516 -3.843 -2.794 14.113 1.00 61.41 O ATOM 0 H SER A 516 -1.341 -0.894 11.899 1.00 10.33 H new ATOM 0 HA SER A 516 -2.725 -3.376 11.899 1.00 2.41 H new ATOM 0 HB2 SER A 516 -2.083 -1.759 13.851 1.00 33.23 H new ATOM 0 HB3 SER A 516 -3.537 -0.880 13.421 1.00 33.23 H new ATOM 0 HG SER A 516 -3.933 -2.492 15.041 1.00 61.41 H new ATOM 543 N ARG A 517 -4.157 -0.869 10.430 1.00 63.50 N ATOM 544 CA ARG A 517 -5.308 -0.458 9.636 1.00 13.34 C ATOM 545 C ARG A 517 -5.175 -0.938 8.194 1.00 25.13 C ATOM 546 O ARG A 517 -6.171 -1.210 7.525 1.00 54.13 O ATOM 547 CB ARG A 517 -5.457 1.065 9.666 1.00 32.54 C ATOM 548 CG ARG A 517 -4.193 1.808 9.268 1.00 1.20 C ATOM 549 CD ARG A 517 -4.492 3.248 8.881 1.00 71.02 C ATOM 550 NE ARG A 517 -5.365 3.905 9.850 1.00 51.24 N ATOM 551 CZ ARG A 517 -6.053 5.011 9.587 1.00 2.15 C ATOM 552 NH1 ARG A 517 -5.969 5.580 8.393 1.00 54.02 N ATOM 553 NH2 ARG A 517 -6.826 5.550 10.521 1.00 32.14 N ATOM 0 H ARG A 517 -3.364 -0.229 10.385 1.00 63.50 H new ATOM 0 HA ARG A 517 -6.198 -0.913 10.071 1.00 13.34 H new ATOM 0 HB2 ARG A 517 -6.266 1.356 8.995 1.00 32.54 H new ATOM 0 HB3 ARG A 517 -5.749 1.373 10.670 1.00 32.54 H new ATOM 0 HG2 ARG A 517 -3.484 1.792 10.096 1.00 1.20 H new ATOM 0 HG3 ARG A 517 -3.717 1.297 8.431 1.00 1.20 H new ATOM 0 HD2 ARG A 517 -3.557 3.803 8.800 1.00 71.02 H new ATOM 0 HD3 ARG A 517 -4.961 3.269 7.897 1.00 71.02 H new ATOM 0 HE ARG A 517 -5.451 3.493 10.779 1.00 51.24 H new ATOM 0 HH11 ARG A 517 -5.375 5.169 7.673 1.00 54.02 H new ATOM 0 HH12 ARG A 517 -6.498 6.429 8.194 1.00 54.02 H new ATOM 0 HH21 ARG A 517 -6.892 5.115 11.441 1.00 32.14 H new ATOM 0 HH22 ARG A 517 -7.354 6.399 10.319 1.00 32.14 H new ATOM 567 N TYR A 518 -3.937 -1.040 7.723 1.00 40.55 N ATOM 568 CA TYR A 518 -3.673 -1.484 6.359 1.00 3.02 C ATOM 569 C TYR A 518 -4.151 -2.918 6.151 1.00 2.24 C ATOM 570 O TYR A 518 -4.686 -3.258 5.096 1.00 33.31 O ATOM 571 CB TYR A 518 -2.179 -1.383 6.048 1.00 5.30 C ATOM 572 CG TYR A 518 -1.877 -0.668 4.750 1.00 75.32 C ATOM 573 CD1 TYR A 518 -2.549 -1.000 3.580 1.00 75.23 C ATOM 574 CD2 TYR A 518 -0.921 0.337 4.693 1.00 43.41 C ATOM 575 CE1 TYR A 518 -2.277 -0.351 2.391 1.00 14.11 C ATOM 576 CE2 TYR A 518 -0.643 0.993 3.509 1.00 12.01 C ATOM 577 CZ TYR A 518 -1.324 0.645 2.361 1.00 41.30 C ATOM 578 OH TYR A 518 -1.049 1.295 1.179 1.00 13.15 O ATOM 0 H TYR A 518 -3.101 -0.821 8.265 1.00 40.55 H new ATOM 0 HA TYR A 518 -4.224 -0.834 5.679 1.00 3.02 H new ATOM 0 HB2 TYR A 518 -1.681 -0.861 6.865 1.00 5.30 H new ATOM 0 HB3 TYR A 518 -1.756 -2.387 6.007 1.00 5.30 H new ATOM 0 HD1 TYR A 518 -3.297 -1.779 3.600 1.00 75.23 H new ATOM 0 HD2 TYR A 518 -0.385 0.611 5.590 1.00 43.41 H new ATOM 0 HE1 TYR A 518 -2.808 -0.622 1.490 1.00 14.11 H new ATOM 0 HE2 TYR A 518 0.103 1.774 3.483 1.00 12.01 H new ATOM 0 HH TYR A 518 -0.354 1.969 1.330 1.00 13.15 H new ATOM 588 N ILE A 519 -3.954 -3.753 7.166 1.00 63.03 N ATOM 589 CA ILE A 519 -4.366 -5.149 7.096 1.00 61.41 C ATOM 590 C ILE A 519 -5.847 -5.269 6.753 1.00 20.04 C ATOM 591 O ILE A 519 -6.665 -4.465 7.198 1.00 3.40 O ATOM 592 CB ILE A 519 -4.097 -5.883 8.423 1.00 4.12 C ATOM 593 CG1 ILE A 519 -2.605 -5.837 8.763 1.00 74.32 C ATOM 594 CG2 ILE A 519 -4.583 -7.322 8.341 1.00 31.01 C ATOM 595 CD1 ILE A 519 -2.327 -5.706 10.244 1.00 42.42 C ATOM 0 H ILE A 519 -3.512 -3.487 8.046 1.00 63.03 H new ATOM 0 HA ILE A 519 -3.774 -5.613 6.307 1.00 61.41 H new ATOM 0 HB ILE A 519 -4.648 -5.379 9.218 1.00 4.12 H new ATOM 0 HG12 ILE A 519 -2.128 -6.743 8.391 1.00 74.32 H new ATOM 0 HG13 ILE A 519 -2.147 -4.998 8.240 1.00 74.32 H new ATOM 0 HG21 ILE A 519 -4.386 -7.827 9.287 1.00 31.01 H new ATOM 0 HG22 ILE A 519 -5.654 -7.333 8.140 1.00 31.01 H new ATOM 0 HG23 ILE A 519 -4.058 -7.838 7.537 1.00 31.01 H new ATOM 0 HD11 ILE A 519 -1.250 -5.680 10.411 1.00 42.42 H new ATOM 0 HD12 ILE A 519 -2.775 -4.786 10.618 1.00 42.42 H new ATOM 0 HD13 ILE A 519 -2.755 -6.558 10.771 1.00 42.42 H new ATOM 607 N GLY A 520 -6.186 -6.281 5.960 1.00 23.12 N ATOM 608 CA GLY A 520 -7.569 -6.489 5.573 1.00 64.14 C ATOM 609 C GLY A 520 -8.419 -7.008 6.715 1.00 71.42 C ATOM 610 O GLY A 520 -8.533 -6.363 7.756 1.00 53.34 O ATOM 0 H GLY A 520 -5.528 -6.960 5.579 1.00 23.12 H new ATOM 0 HA2 GLY A 520 -7.987 -5.550 5.211 1.00 64.14 H new ATOM 0 HA3 GLY A 520 -7.609 -7.196 4.744 1.00 64.14 H new ATOM 614 N ASN A 521 -9.019 -8.178 6.519 1.00 21.35 N ATOM 615 CA ASN A 521 -9.866 -8.783 7.541 1.00 24.14 C ATOM 616 C ASN A 521 -9.065 -9.749 8.410 1.00 41.15 C ATOM 617 O ASN A 521 -8.379 -10.636 7.899 1.00 15.52 O ATOM 618 CB ASN A 521 -11.040 -9.518 6.891 1.00 2.42 C ATOM 619 CG ASN A 521 -11.881 -8.605 6.020 1.00 74.31 C ATOM 620 OD1 ASN A 521 -12.960 -8.168 6.420 1.00 11.44 O ATOM 621 ND2 ASN A 521 -11.391 -8.315 4.821 1.00 45.43 N ATOM 0 H ASN A 521 -8.934 -8.726 5.663 1.00 21.35 H new ATOM 0 HA ASN A 521 -10.252 -7.986 8.176 1.00 24.14 H new ATOM 0 HB2 ASN A 521 -10.660 -10.343 6.288 1.00 2.42 H new ATOM 0 HB3 ASN A 521 -11.668 -9.954 7.668 1.00 2.42 H new ATOM 0 HD21 ASN A 521 -11.913 -7.707 4.190 1.00 45.43 H new ATOM 0 HD22 ASN A 521 -10.492 -8.700 4.531 1.00 45.43 H new ATOM 628 N ILE A 522 -9.157 -9.571 9.723 1.00 15.10 N ATOM 629 CA ILE A 522 -8.443 -10.427 10.662 1.00 75.43 C ATOM 630 C ILE A 522 -9.410 -11.128 11.611 1.00 44.10 C ATOM 631 O ILE A 522 -10.239 -10.486 12.256 1.00 72.22 O ATOM 632 CB ILE A 522 -7.420 -9.627 11.488 1.00 43.41 C ATOM 633 CG1 ILE A 522 -6.557 -8.759 10.569 1.00 13.42 C ATOM 634 CG2 ILE A 522 -6.549 -10.567 12.308 1.00 52.11 C ATOM 635 CD1 ILE A 522 -6.871 -7.282 10.664 1.00 44.20 C ATOM 0 H ILE A 522 -9.719 -8.841 10.161 1.00 15.10 H new ATOM 0 HA ILE A 522 -7.914 -11.173 10.069 1.00 75.43 H new ATOM 0 HB ILE A 522 -7.960 -8.974 12.173 1.00 43.41 H new ATOM 0 HG12 ILE A 522 -5.507 -8.916 10.815 1.00 13.42 H new ATOM 0 HG13 ILE A 522 -6.695 -9.086 9.538 1.00 13.42 H new ATOM 0 HG21 ILE A 522 -5.831 -9.986 12.886 1.00 52.11 H new ATOM 0 HG22 ILE A 522 -7.176 -11.146 12.985 1.00 52.11 H new ATOM 0 HG23 ILE A 522 -6.015 -11.243 11.641 1.00 52.11 H new ATOM 0 HD11 ILE A 522 -6.222 -6.728 9.986 1.00 44.20 H new ATOM 0 HD12 ILE A 522 -7.912 -7.113 10.389 1.00 44.20 H new ATOM 0 HD13 ILE A 522 -6.705 -6.940 11.686 1.00 44.20 H new ATOM 647 N LYS A 523 -9.295 -12.449 11.694 1.00 74.23 N ATOM 648 CA LYS A 523 -10.156 -13.239 12.567 1.00 40.25 C ATOM 649 C LYS A 523 -9.354 -13.858 13.707 1.00 45.34 C ATOM 650 O LYS A 523 -8.157 -14.116 13.568 1.00 31.25 O ATOM 651 CB LYS A 523 -10.857 -14.339 11.766 1.00 0.13 C ATOM 652 CG LYS A 523 -12.093 -14.896 12.452 1.00 63.14 C ATOM 653 CD LYS A 523 -12.401 -16.308 11.983 1.00 75.12 C ATOM 654 CE LYS A 523 -12.927 -16.319 10.556 1.00 70.05 C ATOM 655 NZ LYS A 523 -12.595 -17.589 9.852 1.00 44.43 N ATOM 0 H LYS A 523 -8.614 -12.996 11.167 1.00 74.23 H new ATOM 0 HA LYS A 523 -10.907 -12.574 12.994 1.00 40.25 H new ATOM 0 HB2 LYS A 523 -11.140 -13.943 10.791 1.00 0.13 H new ATOM 0 HB3 LYS A 523 -10.153 -15.152 11.588 1.00 0.13 H new ATOM 0 HG2 LYS A 523 -11.943 -14.895 13.532 1.00 63.14 H new ATOM 0 HG3 LYS A 523 -12.946 -14.249 12.248 1.00 63.14 H new ATOM 0 HD2 LYS A 523 -11.500 -16.918 12.044 1.00 75.12 H new ATOM 0 HD3 LYS A 523 -13.138 -16.761 12.647 1.00 75.12 H new ATOM 0 HE2 LYS A 523 -14.008 -16.182 10.566 1.00 70.05 H new ATOM 0 HE3 LYS A 523 -12.504 -15.478 10.007 1.00 70.05 H new ATOM 0 HZ1 LYS A 523 -12.818 -17.494 8.841 1.00 44.43 H new ATOM 0 HZ2 LYS A 523 -11.582 -17.794 9.966 1.00 44.43 H new ATOM 0 HZ3 LYS A 523 -13.153 -18.367 10.258 1.00 44.43 H new ATOM 669 N LEU A 524 -10.019 -14.094 14.832 1.00 61.22 N ATOM 670 CA LEU A 524 -9.368 -14.685 15.996 1.00 3.20 C ATOM 671 C LEU A 524 -10.301 -15.661 16.705 1.00 0.33 C ATOM 672 O LEU A 524 -11.080 -15.270 17.575 1.00 23.23 O ATOM 673 CB LEU A 524 -8.923 -13.589 16.967 1.00 73.32 C ATOM 674 CG LEU A 524 -7.924 -14.012 18.044 1.00 32.23 C ATOM 675 CD1 LEU A 524 -8.606 -14.874 19.096 1.00 50.51 C ATOM 676 CD2 LEU A 524 -6.751 -14.756 17.422 1.00 54.32 C ATOM 0 H LEU A 524 -11.009 -13.885 14.963 1.00 61.22 H new ATOM 0 HA LEU A 524 -8.492 -15.235 15.652 1.00 3.20 H new ATOM 0 HB2 LEU A 524 -8.482 -12.777 16.389 1.00 73.32 H new ATOM 0 HB3 LEU A 524 -9.808 -13.186 17.459 1.00 73.32 H new ATOM 0 HG LEU A 524 -7.542 -13.114 18.530 1.00 32.23 H new ATOM 0 HD11 LEU A 524 -7.879 -15.166 19.854 1.00 50.51 H new ATOM 0 HD12 LEU A 524 -9.411 -14.308 19.564 1.00 50.51 H new ATOM 0 HD13 LEU A 524 -9.016 -15.767 18.624 1.00 50.51 H new ATOM 0 HD21 LEU A 524 -6.050 -15.049 18.204 1.00 54.32 H new ATOM 0 HD22 LEU A 524 -7.115 -15.646 16.909 1.00 54.32 H new ATOM 0 HD23 LEU A 524 -6.246 -14.106 16.707 1.00 54.32 H new ATOM 688 N PHE A 525 -10.216 -16.932 16.329 1.00 24.43 N ATOM 689 CA PHE A 525 -11.052 -17.965 16.930 1.00 24.13 C ATOM 690 C PHE A 525 -10.355 -18.598 18.131 1.00 21.22 C ATOM 691 O PHE A 525 -9.348 -18.086 18.619 1.00 12.24 O ATOM 692 CB PHE A 525 -11.391 -19.042 15.897 1.00 2.33 C ATOM 693 CG PHE A 525 -12.854 -19.375 15.837 1.00 51.20 C ATOM 694 CD1 PHE A 525 -13.295 -20.665 16.083 1.00 12.12 C ATOM 695 CD2 PHE A 525 -13.789 -18.398 15.534 1.00 44.34 C ATOM 696 CE1 PHE A 525 -14.641 -20.975 16.029 1.00 52.21 C ATOM 697 CE2 PHE A 525 -15.136 -18.701 15.478 1.00 23.54 C ATOM 698 CZ PHE A 525 -15.562 -19.992 15.725 1.00 14.20 C ATOM 0 H PHE A 525 -9.577 -17.272 15.611 1.00 24.43 H new ATOM 0 HA PHE A 525 -11.975 -17.497 17.273 1.00 24.13 H new ATOM 0 HB2 PHE A 525 -11.062 -18.707 14.913 1.00 2.33 H new ATOM 0 HB3 PHE A 525 -10.830 -19.947 16.130 1.00 2.33 H new ATOM 0 HD1 PHE A 525 -12.579 -21.438 16.320 1.00 12.12 H new ATOM 0 HD2 PHE A 525 -13.461 -17.388 15.339 1.00 44.34 H new ATOM 0 HE1 PHE A 525 -14.972 -21.984 16.224 1.00 52.21 H new ATOM 0 HE2 PHE A 525 -15.855 -17.930 15.242 1.00 23.54 H new ATOM 0 HZ PHE A 525 -16.614 -20.232 15.680 1.00 14.20 H new ATOM 708 N ALA A 526 -10.899 -19.715 18.602 1.00 33.33 N ATOM 709 CA ALA A 526 -10.330 -20.420 19.745 1.00 53.34 C ATOM 710 C ALA A 526 -8.977 -21.029 19.395 1.00 20.31 C ATOM 711 O ALA A 526 -8.030 -20.952 20.177 1.00 2.44 O ATOM 712 CB ALA A 526 -11.288 -21.498 20.230 1.00 64.11 C ATOM 0 H ALA A 526 -11.733 -20.152 18.210 1.00 33.33 H new ATOM 0 HA ALA A 526 -10.177 -19.698 20.547 1.00 53.34 H new ATOM 0 HB1 ALA A 526 -10.851 -22.016 21.083 1.00 64.11 H new ATOM 0 HB2 ALA A 526 -12.231 -21.040 20.528 1.00 64.11 H new ATOM 0 HB3 ALA A 526 -11.470 -22.212 19.426 1.00 64.11 H new ATOM 718 N SER A 527 -8.893 -21.637 18.216 1.00 55.54 N ATOM 719 CA SER A 527 -7.657 -22.264 17.765 1.00 43.24 C ATOM 720 C SER A 527 -7.387 -21.941 16.298 1.00 75.20 C ATOM 721 O SER A 527 -6.818 -22.752 15.566 1.00 3.35 O ATOM 722 CB SER A 527 -7.728 -23.779 17.961 1.00 63.44 C ATOM 723 OG SER A 527 -7.570 -24.125 19.326 1.00 63.13 O ATOM 0 H SER A 527 -9.667 -21.708 17.556 1.00 55.54 H new ATOM 0 HA SER A 527 -6.837 -21.866 18.363 1.00 43.24 H new ATOM 0 HB2 SER A 527 -8.685 -24.151 17.597 1.00 63.44 H new ATOM 0 HB3 SER A 527 -6.952 -24.262 17.368 1.00 63.44 H new ATOM 0 HG SER A 527 -7.621 -25.099 19.425 1.00 63.13 H new ATOM 729 N HIS A 528 -7.802 -20.751 15.875 1.00 64.24 N ATOM 730 CA HIS A 528 -7.605 -20.320 14.495 1.00 12.42 C ATOM 731 C HIS A 528 -7.595 -18.797 14.398 1.00 31.04 C ATOM 732 O HIS A 528 -8.028 -18.104 15.319 1.00 24.03 O ATOM 733 CB HIS A 528 -8.703 -20.892 13.598 1.00 13.03 C ATOM 734 CG HIS A 528 -8.491 -22.329 13.235 1.00 72.43 C ATOM 735 ND1 HIS A 528 -9.024 -23.375 13.958 1.00 32.23 N ATOM 736 CD2 HIS A 528 -7.800 -22.892 12.216 1.00 75.22 C ATOM 737 CE1 HIS A 528 -8.669 -24.519 13.401 1.00 30.22 C ATOM 738 NE2 HIS A 528 -7.926 -24.254 12.342 1.00 53.23 N ATOM 0 H HIS A 528 -8.276 -20.069 16.467 1.00 64.24 H new ATOM 0 HA HIS A 528 -6.639 -20.695 14.158 1.00 12.42 H new ATOM 0 HB2 HIS A 528 -9.663 -20.791 14.104 1.00 13.03 H new ATOM 0 HB3 HIS A 528 -8.760 -20.300 12.685 1.00 13.03 H new ATOM 0 HD2 HIS A 528 -7.252 -22.368 11.447 1.00 75.22 H new ATOM 0 HE1 HIS A 528 -8.940 -25.504 13.752 1.00 30.22 H new ATOM 0 HE2 HIS A 528 -7.513 -24.948 11.719 1.00 53.23 H new ATOM 746 N SER A 529 -7.098 -18.283 13.278 1.00 60.31 N ATOM 747 CA SER A 529 -7.027 -16.843 13.063 1.00 53.31 C ATOM 748 C SER A 529 -6.707 -16.526 11.605 1.00 35.02 C ATOM 749 O SER A 529 -5.790 -17.101 11.019 1.00 60.33 O ATOM 750 CB SER A 529 -5.969 -16.221 13.976 1.00 43.12 C ATOM 751 OG SER A 529 -4.975 -17.169 14.324 1.00 20.21 O ATOM 0 H SER A 529 -6.738 -18.843 12.505 1.00 60.31 H new ATOM 0 HA SER A 529 -8.001 -16.416 13.304 1.00 53.31 H new ATOM 0 HB2 SER A 529 -5.506 -15.371 13.475 1.00 43.12 H new ATOM 0 HB3 SER A 529 -6.443 -15.838 14.880 1.00 43.12 H new ATOM 0 HG SER A 529 -5.263 -17.669 15.116 1.00 20.21 H new ATOM 757 N THR A 530 -7.472 -15.606 11.025 1.00 44.14 N ATOM 758 CA THR A 530 -7.272 -15.212 9.636 1.00 60.34 C ATOM 759 C THR A 530 -6.666 -13.817 9.541 1.00 4.13 C ATOM 760 O THR A 530 -6.640 -13.074 10.523 1.00 52.53 O ATOM 761 CB THR A 530 -8.596 -15.239 8.848 1.00 2.35 C ATOM 762 OG1 THR A 530 -9.411 -14.123 9.223 1.00 10.25 O ATOM 763 CG2 THR A 530 -9.352 -16.534 9.104 1.00 45.11 C ATOM 0 H THR A 530 -8.235 -15.120 11.496 1.00 44.14 H new ATOM 0 HA THR A 530 -6.583 -15.935 9.199 1.00 60.34 H new ATOM 0 HB THR A 530 -8.362 -15.178 7.785 1.00 2.35 H new ATOM 0 HG1 THR A 530 -10.250 -14.146 8.717 1.00 10.25 H new ATOM 0 HG21 THR A 530 -10.283 -16.530 8.537 1.00 45.11 H new ATOM 0 HG22 THR A 530 -8.740 -17.380 8.791 1.00 45.11 H new ATOM 0 HG23 THR A 530 -9.575 -16.621 10.167 1.00 45.11 H new ATOM 771 N ILE A 531 -6.179 -13.467 8.355 1.00 31.23 N ATOM 772 CA ILE A 531 -5.575 -12.160 8.134 1.00 44.44 C ATOM 773 C ILE A 531 -5.245 -11.949 6.660 1.00 63.33 C ATOM 774 O ILE A 531 -4.820 -12.876 5.971 1.00 60.13 O ATOM 775 CB ILE A 531 -4.290 -11.985 8.966 1.00 54.45 C ATOM 776 CG1 ILE A 531 -3.626 -10.645 8.643 1.00 51.42 C ATOM 777 CG2 ILE A 531 -3.329 -13.135 8.704 1.00 14.25 C ATOM 778 CD1 ILE A 531 -2.760 -10.114 9.764 1.00 70.03 C ATOM 0 H ILE A 531 -6.191 -14.071 7.533 1.00 31.23 H new ATOM 0 HA ILE A 531 -6.307 -11.417 8.450 1.00 44.44 H new ATOM 0 HB ILE A 531 -4.555 -11.992 10.023 1.00 54.45 H new ATOM 0 HG12 ILE A 531 -3.017 -10.757 7.746 1.00 51.42 H new ATOM 0 HG13 ILE A 531 -4.399 -9.912 8.413 1.00 51.42 H new ATOM 0 HG21 ILE A 531 -2.426 -12.997 9.299 1.00 14.25 H new ATOM 0 HG22 ILE A 531 -3.805 -14.076 8.979 1.00 14.25 H new ATOM 0 HG23 ILE A 531 -3.067 -13.156 7.646 1.00 14.25 H new ATOM 0 HD11 ILE A 531 -2.322 -9.162 9.465 1.00 70.03 H new ATOM 0 HD12 ILE A 531 -3.369 -9.969 10.657 1.00 70.03 H new ATOM 0 HD13 ILE A 531 -1.965 -10.828 9.979 1.00 70.03 H new ATOM 790 N GLU A 532 -5.442 -10.724 6.184 1.00 43.33 N ATOM 791 CA GLU A 532 -5.164 -10.392 4.791 1.00 2.03 C ATOM 792 C GLU A 532 -4.136 -9.268 4.694 1.00 31.04 C ATOM 793 O GLU A 532 -4.314 -8.197 5.276 1.00 50.21 O ATOM 794 CB GLU A 532 -6.452 -9.983 4.074 1.00 12.03 C ATOM 795 CG GLU A 532 -6.292 -9.836 2.571 1.00 63.45 C ATOM 796 CD GLU A 532 -7.531 -10.261 1.807 1.00 32.54 C ATOM 797 OE1 GLU A 532 -7.409 -11.124 0.912 1.00 13.31 O ATOM 798 OE2 GLU A 532 -8.622 -9.732 2.105 1.00 74.31 O ATOM 0 H GLU A 532 -5.793 -9.945 6.742 1.00 43.33 H new ATOM 0 HA GLU A 532 -4.754 -11.279 4.308 1.00 2.03 H new ATOM 0 HB2 GLU A 532 -7.223 -10.726 4.278 1.00 12.03 H new ATOM 0 HB3 GLU A 532 -6.803 -9.038 4.488 1.00 12.03 H new ATOM 0 HG2 GLU A 532 -6.062 -8.797 2.334 1.00 63.45 H new ATOM 0 HG3 GLU A 532 -5.443 -10.434 2.240 1.00 63.45 H new ATOM 805 N LEU A 533 -3.061 -9.520 3.957 1.00 64.04 N ATOM 806 CA LEU A 533 -2.003 -8.530 3.783 1.00 22.50 C ATOM 807 C LEU A 533 -2.016 -7.961 2.368 1.00 74.51 C ATOM 808 O LEU A 533 -2.050 -8.693 1.378 1.00 34.44 O ATOM 809 CB LEU A 533 -0.639 -9.156 4.081 1.00 42.44 C ATOM 810 CG LEU A 533 -0.005 -8.778 5.420 1.00 34.32 C ATOM 811 CD1 LEU A 533 -0.971 -9.051 6.563 1.00 72.01 C ATOM 812 CD2 LEU A 533 1.297 -9.538 5.627 1.00 12.03 C ATOM 0 H LEU A 533 -2.898 -10.401 3.470 1.00 64.04 H new ATOM 0 HA LEU A 533 -2.183 -7.715 4.484 1.00 22.50 H new ATOM 0 HB2 LEU A 533 -0.744 -10.240 4.045 1.00 42.44 H new ATOM 0 HB3 LEU A 533 0.049 -8.875 3.284 1.00 42.44 H new ATOM 0 HG LEU A 533 0.219 -7.711 5.407 1.00 34.32 H new ATOM 0 HD11 LEU A 533 -0.503 -8.776 7.508 1.00 72.01 H new ATOM 0 HD12 LEU A 533 -1.877 -8.462 6.422 1.00 72.01 H new ATOM 0 HD13 LEU A 533 -1.226 -10.111 6.579 1.00 72.01 H new ATOM 0 HD21 LEU A 533 1.734 -9.256 6.585 1.00 12.03 H new ATOM 0 HD22 LEU A 533 1.098 -10.610 5.620 1.00 12.03 H new ATOM 0 HD23 LEU A 533 1.993 -9.293 4.825 1.00 12.03 H new ATOM 824 N PRO A 534 -1.987 -6.624 2.267 1.00 31.31 N ATOM 825 CA PRO A 534 -1.992 -5.927 0.978 1.00 74.35 C ATOM 826 C PRO A 534 -0.686 -6.111 0.214 1.00 64.44 C ATOM 827 O PRO A 534 -0.563 -5.693 -0.938 1.00 31.31 O ATOM 828 CB PRO A 534 -2.181 -4.459 1.369 1.00 70.45 C ATOM 829 CG PRO A 534 -1.649 -4.366 2.757 1.00 44.33 C ATOM 830 CD PRO A 534 -1.946 -5.690 3.404 1.00 2.24 C ATOM 0 HA PRO A 534 -2.766 -6.308 0.312 1.00 74.35 H new ATOM 0 HB2 PRO A 534 -1.641 -3.796 0.693 1.00 70.45 H new ATOM 0 HB3 PRO A 534 -3.231 -4.170 1.327 1.00 70.45 H new ATOM 0 HG2 PRO A 534 -0.578 -4.166 2.752 1.00 44.33 H new ATOM 0 HG3 PRO A 534 -2.123 -3.550 3.303 1.00 44.33 H new ATOM 0 HD2 PRO A 534 -1.176 -5.967 4.124 1.00 2.24 H new ATOM 0 HD3 PRO A 534 -2.894 -5.671 3.942 1.00 2.24 H new ATOM 838 N LYS A 535 0.289 -6.740 0.861 1.00 24.13 N ATOM 839 CA LYS A 535 1.588 -6.982 0.243 1.00 14.21 C ATOM 840 C LYS A 535 1.423 -7.537 -1.168 1.00 62.30 C ATOM 841 O LYS A 535 0.447 -8.224 -1.465 1.00 71.23 O ATOM 842 CB LYS A 535 2.407 -7.955 1.093 1.00 22.04 C ATOM 843 CG LYS A 535 2.696 -7.444 2.494 1.00 21.13 C ATOM 844 CD LYS A 535 4.059 -6.778 2.575 1.00 44.12 C ATOM 845 CE LYS A 535 4.096 -5.485 1.774 1.00 21.04 C ATOM 846 NZ LYS A 535 5.086 -4.519 2.326 1.00 12.14 N ATOM 0 H LYS A 535 0.204 -7.092 1.815 1.00 24.13 H new ATOM 0 HA LYS A 535 2.116 -6.031 0.181 1.00 14.21 H new ATOM 0 HB2 LYS A 535 1.872 -8.902 1.164 1.00 22.04 H new ATOM 0 HB3 LYS A 535 3.351 -8.160 0.588 1.00 22.04 H new ATOM 0 HG2 LYS A 535 1.925 -6.733 2.789 1.00 21.13 H new ATOM 0 HG3 LYS A 535 2.653 -8.273 3.201 1.00 21.13 H new ATOM 0 HD2 LYS A 535 4.302 -6.569 3.617 1.00 44.12 H new ATOM 0 HD3 LYS A 535 4.822 -7.461 2.201 1.00 44.12 H new ATOM 0 HE2 LYS A 535 4.345 -5.707 0.736 1.00 21.04 H new ATOM 0 HE3 LYS A 535 3.106 -5.030 1.773 1.00 21.04 H new ATOM 0 HZ1 LYS A 535 5.081 -3.651 1.753 1.00 12.14 H new ATOM 0 HZ2 LYS A 535 4.834 -4.287 3.308 1.00 12.14 H new ATOM 0 HZ3 LYS A 535 6.035 -4.944 2.303 1.00 12.14 H new ATOM 860 N GLY A 536 2.386 -7.236 -2.034 1.00 23.01 N ATOM 861 CA GLY A 536 2.330 -7.715 -3.403 1.00 15.43 C ATOM 862 C GLY A 536 3.608 -8.410 -3.827 1.00 52.13 C ATOM 863 O GLY A 536 4.094 -8.205 -4.939 1.00 52.21 O ATOM 0 H GLY A 536 3.204 -6.669 -1.812 1.00 23.01 H new ATOM 0 HA2 GLY A 536 1.493 -8.405 -3.509 1.00 15.43 H new ATOM 0 HA3 GLY A 536 2.138 -6.875 -4.071 1.00 15.43 H new ATOM 867 N MET A 537 4.154 -9.234 -2.939 1.00 45.32 N ATOM 868 CA MET A 537 5.385 -9.961 -3.228 1.00 71.25 C ATOM 869 C MET A 537 5.744 -10.900 -2.081 1.00 73.22 C ATOM 870 O MET A 537 6.735 -10.708 -1.377 1.00 62.10 O ATOM 871 CB MET A 537 6.534 -8.983 -3.481 1.00 12.24 C ATOM 872 CG MET A 537 7.594 -9.521 -4.428 1.00 34.21 C ATOM 873 SD MET A 537 8.460 -8.213 -5.317 1.00 35.20 S ATOM 874 CE MET A 537 10.091 -8.935 -5.477 1.00 31.21 C ATOM 0 H MET A 537 3.764 -9.415 -2.014 1.00 45.32 H new ATOM 0 HA MET A 537 5.222 -10.558 -4.125 1.00 71.25 H new ATOM 0 HB2 MET A 537 6.129 -8.058 -3.891 1.00 12.24 H new ATOM 0 HB3 MET A 537 7.003 -8.732 -2.529 1.00 12.24 H new ATOM 0 HG2 MET A 537 8.316 -10.110 -3.862 1.00 34.21 H new ATOM 0 HG3 MET A 537 7.126 -10.195 -5.146 1.00 34.21 H new ATOM 0 HE1 MET A 537 10.745 -8.243 -6.008 1.00 31.21 H new ATOM 0 HE2 MET A 537 10.500 -9.133 -4.486 1.00 31.21 H new ATOM 0 HE3 MET A 537 10.022 -9.869 -6.035 1.00 31.21 H new ATOM 884 N PRO A 538 4.920 -11.941 -1.887 1.00 14.52 N ATOM 885 CA PRO A 538 5.130 -12.930 -0.826 1.00 4.11 C ATOM 886 C PRO A 538 6.344 -13.815 -1.091 1.00 54.31 C ATOM 887 O PRO A 538 7.124 -13.557 -2.006 1.00 42.43 O ATOM 888 CB PRO A 538 3.845 -13.761 -0.856 1.00 25.31 C ATOM 889 CG PRO A 538 3.333 -13.616 -2.247 1.00 14.10 C ATOM 890 CD PRO A 538 3.719 -12.231 -2.688 1.00 71.32 C ATOM 0 HA PRO A 538 5.326 -12.459 0.137 1.00 4.11 H new ATOM 0 HB2 PRO A 538 4.043 -14.805 -0.614 1.00 25.31 H new ATOM 0 HB3 PRO A 538 3.121 -13.397 -0.127 1.00 25.31 H new ATOM 0 HG2 PRO A 538 3.768 -14.370 -2.903 1.00 14.10 H new ATOM 0 HG3 PRO A 538 2.252 -13.749 -2.281 1.00 14.10 H new ATOM 0 HD2 PRO A 538 3.930 -12.194 -3.757 1.00 71.32 H new ATOM 0 HD3 PRO A 538 2.924 -11.511 -2.495 1.00 71.32 H new ATOM 898 N GLY A 539 6.496 -14.860 -0.284 1.00 32.40 N ATOM 899 CA GLY A 539 7.616 -15.768 -0.449 1.00 4.35 C ATOM 900 C GLY A 539 8.831 -15.341 0.352 1.00 14.41 C ATOM 901 O GLY A 539 9.821 -16.067 0.424 1.00 61.14 O ATOM 0 H GLY A 539 5.864 -15.094 0.481 1.00 32.40 H new ATOM 0 HA2 GLY A 539 7.316 -16.770 -0.142 1.00 4.35 H new ATOM 0 HA3 GLY A 539 7.882 -15.824 -1.505 1.00 4.35 H new ATOM 905 N GLU A 540 8.754 -14.158 0.954 1.00 5.23 N ATOM 906 CA GLU A 540 9.858 -13.635 1.751 1.00 12.24 C ATOM 907 C GLU A 540 9.992 -14.401 3.064 1.00 31.31 C ATOM 908 O GLU A 540 11.068 -14.896 3.400 1.00 10.01 O ATOM 909 CB GLU A 540 9.649 -12.146 2.036 1.00 24.05 C ATOM 910 CG GLU A 540 9.114 -11.368 0.846 1.00 2.54 C ATOM 911 CD GLU A 540 9.287 -9.869 1.004 1.00 62.32 C ATOM 912 OE1 GLU A 540 8.264 -9.157 1.065 1.00 12.54 O ATOM 913 OE2 GLU A 540 10.447 -9.410 1.066 1.00 50.03 O ATOM 0 H GLU A 540 7.940 -13.545 0.905 1.00 5.23 H new ATOM 0 HA GLU A 540 10.778 -13.763 1.180 1.00 12.24 H new ATOM 0 HB2 GLU A 540 8.957 -12.038 2.871 1.00 24.05 H new ATOM 0 HB3 GLU A 540 10.597 -11.708 2.349 1.00 24.05 H new ATOM 0 HG2 GLU A 540 9.627 -11.696 -0.058 1.00 2.54 H new ATOM 0 HG3 GLU A 540 8.056 -11.596 0.713 1.00 2.54 H new ATOM 920 N VAL A 541 8.891 -14.495 3.803 1.00 72.11 N ATOM 921 CA VAL A 541 8.884 -15.201 5.079 1.00 70.25 C ATOM 922 C VAL A 541 8.844 -16.711 4.871 1.00 51.13 C ATOM 923 O VAL A 541 9.413 -17.472 5.655 1.00 73.04 O ATOM 924 CB VAL A 541 7.682 -14.781 5.946 1.00 25.30 C ATOM 925 CG1 VAL A 541 7.746 -15.455 7.308 1.00 32.12 C ATOM 926 CG2 VAL A 541 7.635 -13.268 6.092 1.00 14.13 C ATOM 0 H VAL A 541 7.992 -14.091 3.540 1.00 72.11 H new ATOM 0 HA VAL A 541 9.806 -14.932 5.595 1.00 70.25 H new ATOM 0 HB VAL A 541 6.767 -15.104 5.450 1.00 25.30 H new ATOM 0 HG11 VAL A 541 6.889 -15.147 7.907 1.00 32.12 H new ATOM 0 HG12 VAL A 541 7.729 -16.537 7.180 1.00 32.12 H new ATOM 0 HG13 VAL A 541 8.666 -15.165 7.815 1.00 32.12 H new ATOM 0 HG21 VAL A 541 6.780 -12.988 6.707 1.00 14.13 H new ATOM 0 HG22 VAL A 541 8.553 -12.920 6.566 1.00 14.13 H new ATOM 0 HG23 VAL A 541 7.539 -12.810 5.107 1.00 14.13 H new ATOM 936 N LEU A 542 8.169 -17.139 3.810 1.00 53.43 N ATOM 937 CA LEU A 542 8.054 -18.559 3.497 1.00 22.01 C ATOM 938 C LEU A 542 9.412 -19.145 3.122 1.00 75.04 C ATOM 939 O LEU A 542 9.622 -20.354 3.213 1.00 62.12 O ATOM 940 CB LEU A 542 7.060 -18.771 2.354 1.00 63.31 C ATOM 941 CG LEU A 542 5.601 -18.972 2.762 1.00 34.32 C ATOM 942 CD1 LEU A 542 4.862 -17.643 2.776 1.00 42.23 C ATOM 943 CD2 LEU A 542 4.915 -19.956 1.825 1.00 41.32 C ATOM 0 H LEU A 542 7.693 -16.523 3.152 1.00 53.43 H new ATOM 0 HA LEU A 542 7.690 -19.074 4.386 1.00 22.01 H new ATOM 0 HB2 LEU A 542 7.115 -17.910 1.687 1.00 63.31 H new ATOM 0 HB3 LEU A 542 7.379 -19.640 1.779 1.00 63.31 H new ATOM 0 HG LEU A 542 5.580 -19.386 3.770 1.00 34.32 H new ATOM 0 HD11 LEU A 542 3.825 -17.806 3.069 1.00 42.23 H new ATOM 0 HD12 LEU A 542 5.338 -16.969 3.488 1.00 42.23 H new ATOM 0 HD13 LEU A 542 4.892 -17.199 1.781 1.00 42.23 H new ATOM 0 HD21 LEU A 542 3.877 -20.087 2.131 1.00 41.32 H new ATOM 0 HD22 LEU A 542 4.947 -19.571 0.806 1.00 41.32 H new ATOM 0 HD23 LEU A 542 5.429 -20.916 1.866 1.00 41.32 H new ATOM 955 N GLN A 543 10.328 -18.279 2.702 1.00 63.34 N ATOM 956 CA GLN A 543 11.666 -18.712 2.314 1.00 12.31 C ATOM 957 C GLN A 543 12.543 -18.935 3.542 1.00 73.42 C ATOM 958 O GLN A 543 13.051 -20.035 3.763 1.00 72.24 O ATOM 959 CB GLN A 543 12.313 -17.676 1.393 1.00 74.24 C ATOM 960 CG GLN A 543 12.009 -17.899 -0.080 1.00 43.23 C ATOM 961 CD GLN A 543 12.212 -16.649 -0.913 1.00 42.44 C ATOM 962 OE1 GLN A 543 12.273 -15.539 -0.384 1.00 10.34 O ATOM 963 NE2 GLN A 543 12.319 -16.822 -2.226 1.00 34.24 N ATOM 0 H GLN A 543 10.169 -17.275 2.622 1.00 63.34 H new ATOM 0 HA GLN A 543 11.574 -19.657 1.779 1.00 12.31 H new ATOM 0 HB2 GLN A 543 11.970 -16.682 1.680 1.00 74.24 H new ATOM 0 HB3 GLN A 543 13.393 -17.695 1.540 1.00 74.24 H new ATOM 0 HG2 GLN A 543 12.649 -18.694 -0.463 1.00 43.23 H new ATOM 0 HG3 GLN A 543 10.979 -18.239 -0.187 1.00 43.23 H new ATOM 0 HE21 GLN A 543 12.263 -17.760 -2.623 1.00 34.24 H new ATOM 0 HE22 GLN A 543 12.457 -16.017 -2.837 1.00 34.24 H new ATOM 972 N HIS A 544 12.717 -17.885 4.338 1.00 74.20 N ATOM 973 CA HIS A 544 13.532 -17.967 5.544 1.00 25.23 C ATOM 974 C HIS A 544 12.822 -18.773 6.627 1.00 35.32 C ATOM 975 O HIS A 544 13.368 -19.743 7.153 1.00 70.31 O ATOM 976 CB HIS A 544 13.854 -16.566 6.064 1.00 44.21 C ATOM 977 CG HIS A 544 14.737 -15.775 5.148 1.00 73.34 C ATOM 978 ND1 HIS A 544 16.110 -15.901 5.131 1.00 12.11 N ATOM 979 CD2 HIS A 544 14.434 -14.846 4.211 1.00 3.22 C ATOM 980 CE1 HIS A 544 16.614 -15.082 4.226 1.00 51.24 C ATOM 981 NE2 HIS A 544 15.618 -14.430 3.653 1.00 71.33 N ATOM 0 H HIS A 544 12.304 -16.968 4.169 1.00 74.20 H new ATOM 0 HA HIS A 544 14.462 -18.475 5.289 1.00 25.23 H new ATOM 0 HB2 HIS A 544 12.922 -16.021 6.217 1.00 44.21 H new ATOM 0 HB3 HIS A 544 14.337 -16.651 7.037 1.00 44.21 H new ATOM 0 HD2 HIS A 544 13.446 -14.497 3.951 1.00 3.22 H new ATOM 0 HE1 HIS A 544 17.662 -14.965 3.994 1.00 51.24 H new ATOM 0 HE2 HIS A 544 15.713 -13.731 2.916 1.00 71.33 H new ATOM 989 N PHE A 545 11.601 -18.365 6.957 1.00 54.15 N ATOM 990 CA PHE A 545 10.816 -19.048 7.978 1.00 14.11 C ATOM 991 C PHE A 545 10.008 -20.190 7.370 1.00 75.43 C ATOM 992 O PHE A 545 8.822 -20.353 7.661 1.00 1.24 O ATOM 993 CB PHE A 545 9.878 -18.060 8.676 1.00 21.51 C ATOM 994 CG PHE A 545 10.544 -17.269 9.765 1.00 20.34 C ATOM 995 CD1 PHE A 545 9.997 -17.220 11.037 1.00 1.04 C ATOM 996 CD2 PHE A 545 11.717 -16.575 9.517 1.00 11.51 C ATOM 997 CE1 PHE A 545 10.608 -16.493 12.042 1.00 35.23 C ATOM 998 CE2 PHE A 545 12.332 -15.847 10.518 1.00 40.50 C ATOM 999 CZ PHE A 545 11.776 -15.805 11.782 1.00 41.23 C ATOM 0 H PHE A 545 11.134 -17.564 6.532 1.00 54.15 H new ATOM 0 HA PHE A 545 11.506 -19.465 8.712 1.00 14.11 H new ATOM 0 HB2 PHE A 545 9.471 -17.372 7.935 1.00 21.51 H new ATOM 0 HB3 PHE A 545 9.036 -18.608 9.099 1.00 21.51 H new ATOM 0 HD1 PHE A 545 9.083 -17.756 11.246 1.00 1.04 H new ATOM 0 HD2 PHE A 545 12.156 -16.603 8.531 1.00 11.51 H new ATOM 0 HE1 PHE A 545 10.172 -16.464 13.030 1.00 35.23 H new ATOM 0 HE2 PHE A 545 13.247 -15.311 10.312 1.00 40.50 H new ATOM 0 HZ PHE A 545 12.254 -15.235 12.565 1.00 41.23 H new ATOM 1009 N THR A 546 10.658 -20.981 6.521 1.00 54.31 N ATOM 1010 CA THR A 546 10.001 -22.107 5.869 1.00 11.13 C ATOM 1011 C THR A 546 9.751 -23.243 6.855 1.00 43.04 C ATOM 1012 O THR A 546 8.772 -23.979 6.733 1.00 62.25 O ATOM 1013 CB THR A 546 10.837 -22.639 4.690 1.00 21.44 C ATOM 1014 OG1 THR A 546 10.069 -23.578 3.929 1.00 13.22 O ATOM 1015 CG2 THR A 546 12.111 -23.305 5.188 1.00 45.22 C ATOM 0 H THR A 546 11.639 -20.862 6.269 1.00 54.31 H new ATOM 0 HA THR A 546 9.046 -21.741 5.491 1.00 11.13 H new ATOM 0 HB THR A 546 11.110 -21.795 4.057 1.00 21.44 H new ATOM 0 HG1 THR A 546 10.607 -23.910 3.180 1.00 13.22 H new ATOM 0 HG21 THR A 546 12.685 -23.673 4.338 1.00 45.22 H new ATOM 0 HG22 THR A 546 12.707 -22.581 5.743 1.00 45.22 H new ATOM 0 HG23 THR A 546 11.854 -24.139 5.841 1.00 45.22 H new ATOM 1023 N ARG A 547 10.642 -23.380 7.831 1.00 3.52 N ATOM 1024 CA ARG A 547 10.518 -24.427 8.838 1.00 63.04 C ATOM 1025 C ARG A 547 10.320 -23.826 10.226 1.00 23.22 C ATOM 1026 O ARG A 547 9.802 -24.482 11.131 1.00 45.11 O ATOM 1027 CB ARG A 547 11.759 -25.321 8.829 1.00 25.34 C ATOM 1028 CG ARG A 547 13.067 -24.548 8.783 1.00 1.21 C ATOM 1029 CD ARG A 547 14.230 -25.388 9.287 1.00 34.45 C ATOM 1030 NE ARG A 547 14.744 -26.286 8.256 1.00 10.25 N ATOM 1031 CZ ARG A 547 15.449 -25.874 7.209 1.00 62.02 C ATOM 1032 NH1 ARG A 547 15.723 -24.586 7.055 1.00 51.14 N ATOM 1033 NH2 ARG A 547 15.883 -26.752 6.313 1.00 53.41 N ATOM 0 H ARG A 547 11.458 -22.779 7.946 1.00 3.52 H new ATOM 0 HA ARG A 547 9.643 -25.029 8.594 1.00 63.04 H new ATOM 0 HB2 ARG A 547 11.750 -25.950 9.719 1.00 25.34 H new ATOM 0 HB3 ARG A 547 11.710 -25.987 7.968 1.00 25.34 H new ATOM 0 HG2 ARG A 547 13.265 -24.227 7.760 1.00 1.21 H new ATOM 0 HG3 ARG A 547 12.979 -23.646 9.389 1.00 1.21 H new ATOM 0 HD2 ARG A 547 15.031 -24.731 9.628 1.00 34.45 H new ATOM 0 HD3 ARG A 547 13.908 -25.972 10.149 1.00 34.45 H new ATOM 0 HE ARG A 547 14.551 -27.284 8.345 1.00 10.25 H new ATOM 0 HH11 ARG A 547 15.392 -23.908 7.742 1.00 51.14 H new ATOM 0 HH12 ARG A 547 16.265 -24.273 6.250 1.00 51.14 H new ATOM 0 HH21 ARG A 547 15.675 -27.744 6.429 1.00 53.41 H new ATOM 0 HH22 ARG A 547 16.425 -26.435 5.509 1.00 53.41 H new ATOM 1047 N THR A 548 10.737 -22.574 10.389 1.00 73.05 N ATOM 1048 CA THR A 548 10.607 -21.885 11.666 1.00 21.12 C ATOM 1049 C THR A 548 9.385 -20.973 11.678 1.00 64.32 C ATOM 1050 O THR A 548 9.305 -20.018 10.906 1.00 51.14 O ATOM 1051 CB THR A 548 11.861 -21.048 11.983 1.00 30.41 C ATOM 1052 OG1 THR A 548 13.011 -21.899 12.060 1.00 53.55 O ATOM 1053 CG2 THR A 548 11.692 -20.296 13.294 1.00 3.13 C ATOM 0 H THR A 548 11.168 -22.017 9.651 1.00 73.05 H new ATOM 0 HA THR A 548 10.490 -22.654 12.429 1.00 21.12 H new ATOM 0 HB THR A 548 11.999 -20.322 11.181 1.00 30.41 H new ATOM 0 HG1 THR A 548 13.804 -21.360 12.260 1.00 53.55 H new ATOM 0 HG21 THR A 548 12.590 -19.712 13.497 1.00 3.13 H new ATOM 0 HG22 THR A 548 10.833 -19.628 13.222 1.00 3.13 H new ATOM 0 HG23 THR A 548 11.531 -21.008 14.104 1.00 3.13 H new ATOM 1061 N ARG A 549 8.437 -21.274 12.559 1.00 52.03 N ATOM 1062 CA ARG A 549 7.219 -20.481 12.670 1.00 15.10 C ATOM 1063 C ARG A 549 6.703 -20.475 14.106 1.00 31.22 C ATOM 1064 O ARG A 549 7.271 -21.127 14.983 1.00 63.24 O ATOM 1065 CB ARG A 549 6.141 -21.028 11.732 1.00 31.11 C ATOM 1066 CG ARG A 549 6.397 -20.722 10.266 1.00 42.14 C ATOM 1067 CD ARG A 549 7.207 -21.823 9.600 1.00 71.53 C ATOM 1068 NE ARG A 549 6.721 -22.124 8.256 1.00 41.45 N ATOM 1069 CZ ARG A 549 5.724 -22.965 8.005 1.00 1.02 C ATOM 1070 NH1 ARG A 549 5.110 -23.586 9.003 1.00 61.02 N ATOM 1071 NH2 ARG A 549 5.339 -23.186 6.755 1.00 70.12 N ATOM 0 H ARG A 549 8.489 -22.061 13.206 1.00 52.03 H new ATOM 0 HA ARG A 549 7.455 -19.457 12.383 1.00 15.10 H new ATOM 0 HB2 ARG A 549 6.072 -22.108 11.862 1.00 31.11 H new ATOM 0 HB3 ARG A 549 5.176 -20.610 12.018 1.00 31.11 H new ATOM 0 HG2 ARG A 549 5.446 -20.604 9.747 1.00 42.14 H new ATOM 0 HG3 ARG A 549 6.928 -19.774 10.178 1.00 42.14 H new ATOM 0 HD2 ARG A 549 8.253 -21.522 9.548 1.00 71.53 H new ATOM 0 HD3 ARG A 549 7.164 -22.725 10.211 1.00 71.53 H new ATOM 0 HE ARG A 549 7.172 -21.663 7.466 1.00 41.45 H new ATOM 0 HH11 ARG A 549 5.403 -23.418 9.965 1.00 61.02 H new ATOM 0 HH12 ARG A 549 4.345 -24.231 8.808 1.00 61.02 H new ATOM 0 HH21 ARG A 549 5.809 -22.710 5.985 1.00 70.12 H new ATOM 0 HH22 ARG A 549 4.573 -23.832 6.564 1.00 70.12 H new ATOM 1085 N ILE A 550 5.624 -19.735 14.339 1.00 3.00 N ATOM 1086 CA ILE A 550 5.032 -19.645 15.668 1.00 25.20 C ATOM 1087 C ILE A 550 3.648 -19.009 15.611 1.00 33.13 C ATOM 1088 O ILE A 550 3.157 -18.658 14.537 1.00 2.14 O ATOM 1089 CB ILE A 550 5.921 -18.830 16.626 1.00 52.40 C ATOM 1090 CG1 ILE A 550 5.687 -19.270 18.073 1.00 63.35 C ATOM 1091 CG2 ILE A 550 5.643 -17.342 16.468 1.00 24.14 C ATOM 1092 CD1 ILE A 550 6.963 -19.430 18.869 1.00 64.41 C ATOM 0 H ILE A 550 5.142 -19.189 13.625 1.00 3.00 H new ATOM 0 HA ILE A 550 4.945 -20.664 16.045 1.00 25.20 H new ATOM 0 HB ILE A 550 6.965 -19.014 16.375 1.00 52.40 H new ATOM 0 HG12 ILE A 550 5.049 -18.538 18.568 1.00 63.35 H new ATOM 0 HG13 ILE A 550 5.147 -20.217 18.074 1.00 63.35 H new ATOM 0 HG21 ILE A 550 6.278 -16.779 17.151 1.00 24.14 H new ATOM 0 HG22 ILE A 550 5.855 -17.039 15.443 1.00 24.14 H new ATOM 0 HG23 ILE A 550 4.596 -17.141 16.697 1.00 24.14 H new ATOM 0 HD11 ILE A 550 6.721 -19.743 19.885 1.00 64.41 H new ATOM 0 HD12 ILE A 550 7.594 -20.183 18.397 1.00 64.41 H new ATOM 0 HD13 ILE A 550 7.494 -18.479 18.900 1.00 64.41 H new ATOM 1104 N LEU A 551 3.022 -18.862 16.774 1.00 4.10 N ATOM 1105 CA LEU A 551 1.694 -18.266 16.858 1.00 13.41 C ATOM 1106 C LEU A 551 1.536 -17.140 15.840 1.00 25.35 C ATOM 1107 O LEU A 551 0.506 -17.028 15.179 1.00 74.44 O ATOM 1108 CB LEU A 551 1.441 -17.732 18.269 1.00 1.41 C ATOM 1109 CG LEU A 551 2.358 -16.599 18.732 1.00 15.50 C ATOM 1110 CD1 LEU A 551 1.732 -15.247 18.426 1.00 53.24 C ATOM 1111 CD2 LEU A 551 2.654 -16.726 20.219 1.00 21.21 C ATOM 0 H LEU A 551 3.413 -19.148 17.672 1.00 4.10 H new ATOM 0 HA LEU A 551 0.961 -19.040 16.632 1.00 13.41 H new ATOM 0 HB2 LEU A 551 0.410 -17.384 18.325 1.00 1.41 H new ATOM 0 HB3 LEU A 551 1.536 -18.560 18.972 1.00 1.41 H new ATOM 0 HG LEU A 551 3.299 -16.673 18.187 1.00 15.50 H new ATOM 0 HD11 LEU A 551 2.399 -14.453 18.762 1.00 53.24 H new ATOM 0 HD12 LEU A 551 1.571 -15.155 17.352 1.00 53.24 H new ATOM 0 HD13 LEU A 551 0.777 -15.163 18.944 1.00 53.24 H new ATOM 0 HD21 LEU A 551 3.308 -15.911 20.531 1.00 21.21 H new ATOM 0 HD22 LEU A 551 1.721 -16.678 20.781 1.00 21.21 H new ATOM 0 HD23 LEU A 551 3.145 -17.680 20.412 1.00 21.21 H new ATOM 1123 N ASN A 552 2.567 -16.310 15.720 1.00 23.01 N ATOM 1124 CA ASN A 552 2.544 -15.194 14.782 1.00 43.05 C ATOM 1125 C ASN A 552 2.756 -15.681 13.351 1.00 21.44 C ATOM 1126 O ASN A 552 1.891 -15.514 12.492 1.00 72.02 O ATOM 1127 CB ASN A 552 3.621 -14.170 15.148 1.00 75.01 C ATOM 1128 CG ASN A 552 3.860 -13.162 14.041 1.00 52.50 C ATOM 1129 OD1 ASN A 552 5.003 -12.849 13.708 1.00 51.44 O ATOM 1130 ND2 ASN A 552 2.779 -12.647 13.466 1.00 61.34 N ATOM 0 H ASN A 552 3.428 -16.389 16.260 1.00 23.01 H new ATOM 0 HA ASN A 552 1.564 -14.720 14.845 1.00 43.05 H new ATOM 0 HB2 ASN A 552 3.326 -13.645 16.056 1.00 75.01 H new ATOM 0 HB3 ASN A 552 4.553 -14.690 15.369 1.00 75.01 H new ATOM 0 HD21 ASN A 552 2.877 -11.963 12.716 1.00 61.34 H new ATOM 0 HD22 ASN A 552 1.851 -12.936 13.774 1.00 61.34 H new ATOM 1137 N LYS A 553 3.913 -16.286 13.104 1.00 60.14 N ATOM 1138 CA LYS A 553 4.240 -16.800 11.779 1.00 72.40 C ATOM 1139 C LYS A 553 3.272 -17.907 11.371 1.00 2.30 C ATOM 1140 O LYS A 553 2.562 -18.479 12.198 1.00 72.22 O ATOM 1141 CB LYS A 553 5.676 -17.329 11.755 1.00 74.44 C ATOM 1142 CG LYS A 553 6.638 -16.515 12.601 1.00 44.21 C ATOM 1143 CD LYS A 553 6.578 -15.038 12.249 1.00 13.21 C ATOM 1144 CE LYS A 553 6.929 -14.798 10.789 1.00 51.22 C ATOM 1145 NZ LYS A 553 5.781 -14.230 10.028 1.00 4.25 N ATOM 0 H LYS A 553 4.640 -16.432 13.804 1.00 60.14 H new ATOM 0 HA LYS A 553 4.149 -15.981 11.066 1.00 72.40 H new ATOM 0 HB2 LYS A 553 5.680 -18.361 12.106 1.00 74.44 H new ATOM 0 HB3 LYS A 553 6.032 -17.342 10.725 1.00 74.44 H new ATOM 0 HG2 LYS A 553 6.399 -16.648 13.656 1.00 44.21 H new ATOM 0 HG3 LYS A 553 7.653 -16.884 12.455 1.00 44.21 H new ATOM 0 HD2 LYS A 553 5.578 -14.655 12.451 1.00 13.21 H new ATOM 0 HD3 LYS A 553 7.267 -14.483 12.886 1.00 13.21 H new ATOM 0 HE2 LYS A 553 7.778 -14.117 10.727 1.00 51.22 H new ATOM 0 HE3 LYS A 553 7.239 -15.737 10.331 1.00 51.22 H new ATOM 0 HZ1 LYS A 553 6.130 -13.527 9.346 1.00 4.25 H new ATOM 0 HZ2 LYS A 553 5.291 -14.993 9.518 1.00 4.25 H new ATOM 0 HZ3 LYS A 553 5.119 -13.774 10.688 1.00 4.25 H new ATOM 1159 N PRO A 554 3.243 -18.217 10.066 1.00 20.35 N ATOM 1160 CA PRO A 554 2.368 -19.259 9.520 1.00 1.11 C ATOM 1161 C PRO A 554 2.799 -20.659 9.944 1.00 14.11 C ATOM 1162 O PRO A 554 3.386 -21.402 9.159 1.00 74.34 O ATOM 1163 CB PRO A 554 2.517 -19.089 8.006 1.00 22.21 C ATOM 1164 CG PRO A 554 3.855 -18.460 7.826 1.00 43.45 C ATOM 1165 CD PRO A 554 4.062 -17.576 9.025 1.00 64.05 C ATOM 0 HA PRO A 554 1.343 -19.158 9.875 1.00 1.11 H new ATOM 0 HB2 PRO A 554 2.458 -20.048 7.492 1.00 22.21 H new ATOM 0 HB3 PRO A 554 1.726 -18.460 7.598 1.00 22.21 H new ATOM 0 HG2 PRO A 554 4.636 -19.217 7.760 1.00 43.45 H new ATOM 0 HG3 PRO A 554 3.893 -17.881 6.903 1.00 43.45 H new ATOM 0 HD2 PRO A 554 5.112 -17.528 9.313 1.00 64.05 H new ATOM 0 HD3 PRO A 554 3.738 -16.554 8.831 1.00 64.05 H new ATOM 1173 N MET A 555 2.503 -21.012 11.191 1.00 55.13 N ATOM 1174 CA MET A 555 2.858 -22.324 11.718 1.00 61.31 C ATOM 1175 C MET A 555 2.173 -23.433 10.924 1.00 2.45 C ATOM 1176 O MET A 555 2.829 -24.343 10.420 1.00 73.02 O ATOM 1177 CB MET A 555 2.473 -22.426 13.195 1.00 52.30 C ATOM 1178 CG MET A 555 2.603 -23.830 13.762 1.00 72.12 C ATOM 1179 SD MET A 555 4.300 -24.438 13.729 1.00 71.23 S ATOM 1180 CE MET A 555 4.027 -26.208 13.779 1.00 54.32 C ATOM 0 H MET A 555 2.018 -20.408 11.855 1.00 55.13 H new ATOM 0 HA MET A 555 3.937 -22.446 11.622 1.00 61.31 H new ATOM 0 HB2 MET A 555 3.103 -21.750 13.773 1.00 52.30 H new ATOM 0 HB3 MET A 555 1.444 -22.087 13.318 1.00 52.30 H new ATOM 0 HG2 MET A 555 2.238 -23.838 14.789 1.00 72.12 H new ATOM 0 HG3 MET A 555 1.967 -24.508 13.193 1.00 72.12 H new ATOM 0 HE1 MET A 555 4.987 -26.725 13.764 1.00 54.32 H new ATOM 0 HE2 MET A 555 3.489 -26.468 14.691 1.00 54.32 H new ATOM 0 HE3 MET A 555 3.439 -26.510 12.912 1.00 54.32 H new ATOM 1190 N ASN A 556 0.851 -23.349 10.819 1.00 10.51 N ATOM 1191 CA ASN A 556 0.078 -24.345 10.088 1.00 74.44 C ATOM 1192 C ASN A 556 -1.161 -23.717 9.457 1.00 73.22 C ATOM 1193 O ASN A 556 -2.282 -23.933 9.918 1.00 42.42 O ATOM 1194 CB ASN A 556 -0.334 -25.487 11.020 1.00 40.31 C ATOM 1195 CG ASN A 556 -0.731 -26.738 10.261 1.00 22.43 C ATOM 1196 OD1 ASN A 556 0.047 -27.687 10.157 1.00 35.34 O ATOM 1197 ND2 ASN A 556 -1.946 -26.745 9.727 1.00 73.45 N ATOM 0 H ASN A 556 0.293 -22.601 11.231 1.00 10.51 H new ATOM 0 HA ASN A 556 0.707 -24.743 9.292 1.00 74.44 H new ATOM 0 HB2 ASN A 556 0.492 -25.720 11.692 1.00 40.31 H new ATOM 0 HB3 ASN A 556 -1.169 -25.162 11.641 1.00 40.31 H new ATOM 0 HD21 ASN A 556 -2.269 -27.560 9.205 1.00 73.45 H new ATOM 0 HD22 ASN A 556 -2.557 -25.936 9.839 1.00 73.45 H new ATOM 1204 N MET A 557 -0.951 -22.940 8.399 1.00 22.14 N ATOM 1205 CA MET A 557 -2.051 -22.282 7.704 1.00 21.10 C ATOM 1206 C MET A 557 -2.202 -22.827 6.287 1.00 32.24 C ATOM 1207 O MET A 557 -1.359 -23.588 5.813 1.00 35.42 O ATOM 1208 CB MET A 557 -1.823 -20.770 7.659 1.00 5.05 C ATOM 1209 CG MET A 557 -0.363 -20.380 7.494 1.00 64.53 C ATOM 1210 SD MET A 557 0.294 -20.821 5.873 1.00 23.35 S ATOM 1211 CE MET A 557 -0.637 -19.714 4.818 1.00 71.02 C ATOM 0 H MET A 557 -0.030 -22.751 8.005 1.00 22.14 H new ATOM 0 HA MET A 557 -2.970 -22.487 8.254 1.00 21.10 H new ATOM 0 HB2 MET A 557 -2.398 -20.348 6.835 1.00 5.05 H new ATOM 0 HB3 MET A 557 -2.208 -20.325 8.577 1.00 5.05 H new ATOM 0 HG2 MET A 557 -0.259 -19.305 7.644 1.00 64.53 H new ATOM 0 HG3 MET A 557 0.229 -20.869 8.267 1.00 64.53 H new ATOM 0 HE1 MET A 557 -0.201 -19.710 3.819 1.00 71.02 H new ATOM 0 HE2 MET A 557 -1.672 -20.051 4.761 1.00 71.02 H new ATOM 0 HE3 MET A 557 -0.606 -18.706 5.231 1.00 71.02 H new ATOM 1221 N GLN A 558 -3.281 -22.433 5.618 1.00 3.34 N ATOM 1222 CA GLN A 558 -3.541 -22.884 4.256 1.00 14.54 C ATOM 1223 C GLN A 558 -4.236 -21.794 3.446 1.00 31.20 C ATOM 1224 O GLN A 558 -5.232 -21.218 3.886 1.00 41.10 O ATOM 1225 CB GLN A 558 -4.399 -24.150 4.271 1.00 12.03 C ATOM 1226 CG GLN A 558 -4.024 -25.126 5.374 1.00 22.25 C ATOM 1227 CD GLN A 558 -4.676 -26.483 5.200 1.00 74.31 C ATOM 1228 OE1 GLN A 558 -5.642 -26.629 4.450 1.00 12.31 O ATOM 1229 NE2 GLN A 558 -4.151 -27.487 5.893 1.00 0.31 N ATOM 0 H GLN A 558 -3.988 -21.803 5.997 1.00 3.34 H new ATOM 0 HA GLN A 558 -2.584 -23.108 3.785 1.00 14.54 H new ATOM 0 HB2 GLN A 558 -5.446 -23.868 4.387 1.00 12.03 H new ATOM 0 HB3 GLN A 558 -4.309 -24.651 3.307 1.00 12.03 H new ATOM 0 HG2 GLN A 558 -2.941 -25.248 5.393 1.00 22.25 H new ATOM 0 HG3 GLN A 558 -4.315 -24.708 6.338 1.00 22.25 H new ATOM 0 HE21 GLN A 558 -3.350 -27.322 6.503 1.00 0.31 H new ATOM 0 HE22 GLN A 558 -4.548 -28.423 5.815 1.00 0.31 H new ATOM 1238 N LEU A 559 -3.705 -21.516 2.261 1.00 61.14 N ATOM 1239 CA LEU A 559 -4.274 -20.495 1.388 1.00 43.11 C ATOM 1240 C LEU A 559 -5.696 -20.861 0.976 1.00 63.55 C ATOM 1241 O LEU A 559 -5.919 -21.873 0.309 1.00 12.00 O ATOM 1242 CB LEU A 559 -3.401 -20.314 0.145 1.00 64.31 C ATOM 1243 CG LEU A 559 -3.852 -19.236 -0.841 1.00 65.23 C ATOM 1244 CD1 LEU A 559 -4.935 -19.775 -1.762 1.00 50.15 C ATOM 1245 CD2 LEU A 559 -4.346 -18.005 -0.096 1.00 71.01 C ATOM 0 H LEU A 559 -2.881 -21.983 1.882 1.00 61.14 H new ATOM 0 HA LEU A 559 -4.306 -19.556 1.941 1.00 43.11 H new ATOM 0 HB2 LEU A 559 -2.387 -20.080 0.469 1.00 64.31 H new ATOM 0 HB3 LEU A 559 -3.355 -21.266 -0.384 1.00 64.31 H new ATOM 0 HG LEU A 559 -2.996 -18.947 -1.451 1.00 65.23 H new ATOM 0 HD11 LEU A 559 -5.244 -18.994 -2.457 1.00 50.15 H new ATOM 0 HD12 LEU A 559 -4.546 -20.626 -2.322 1.00 50.15 H new ATOM 0 HD13 LEU A 559 -5.793 -20.092 -1.169 1.00 50.15 H new ATOM 0 HD21 LEU A 559 -4.663 -17.248 -0.814 1.00 71.01 H new ATOM 0 HD22 LEU A 559 -5.189 -18.278 0.539 1.00 71.01 H new ATOM 0 HD23 LEU A 559 -3.541 -17.606 0.521 1.00 71.01 H new ATOM 1257 N LEU A 560 -6.654 -20.032 1.374 1.00 21.31 N ATOM 1258 CA LEU A 560 -8.055 -20.267 1.044 1.00 34.52 C ATOM 1259 C LEU A 560 -8.599 -19.156 0.152 1.00 64.34 C ATOM 1260 O LEU A 560 -9.527 -19.369 -0.627 1.00 32.33 O ATOM 1261 CB LEU A 560 -8.891 -20.365 2.322 1.00 70.43 C ATOM 1262 CG LEU A 560 -9.308 -19.037 2.954 1.00 34.32 C ATOM 1263 CD1 LEU A 560 -10.719 -18.663 2.528 1.00 74.03 C ATOM 1264 CD2 LEU A 560 -9.210 -19.115 4.471 1.00 55.32 C ATOM 0 H LEU A 560 -6.486 -19.191 1.926 1.00 21.31 H new ATOM 0 HA LEU A 560 -8.121 -21.209 0.500 1.00 34.52 H new ATOM 0 HB2 LEU A 560 -9.792 -20.938 2.100 1.00 70.43 H new ATOM 0 HB3 LEU A 560 -8.325 -20.934 3.060 1.00 70.43 H new ATOM 0 HG LEU A 560 -8.627 -18.260 2.605 1.00 34.32 H new ATOM 0 HD11 LEU A 560 -10.999 -17.715 2.988 1.00 74.03 H new ATOM 0 HD12 LEU A 560 -10.758 -18.566 1.443 1.00 74.03 H new ATOM 0 HD13 LEU A 560 -11.414 -19.440 2.848 1.00 74.03 H new ATOM 0 HD21 LEU A 560 -9.510 -18.161 4.905 1.00 55.32 H new ATOM 0 HD22 LEU A 560 -9.867 -19.903 4.838 1.00 55.32 H new ATOM 0 HD23 LEU A 560 -8.182 -19.336 4.758 1.00 55.32 H new ATOM 1276 N GLY A 561 -8.011 -17.969 0.269 1.00 61.33 N ATOM 1277 CA GLY A 561 -8.448 -16.843 -0.535 1.00 2.41 C ATOM 1278 C GLY A 561 -7.799 -16.822 -1.905 1.00 14.41 C ATOM 1279 O GLY A 561 -7.374 -17.859 -2.414 1.00 3.24 O ATOM 0 H GLY A 561 -7.240 -17.767 0.906 1.00 61.33 H new ATOM 0 HA2 GLY A 561 -9.531 -16.881 -0.650 1.00 2.41 H new ATOM 0 HA3 GLY A 561 -8.216 -15.915 -0.012 1.00 2.41 H new ATOM 1283 N ASP A 562 -7.725 -15.639 -2.504 1.00 55.45 N ATOM 1284 CA ASP A 562 -7.125 -15.487 -3.825 1.00 0.43 C ATOM 1285 C ASP A 562 -6.964 -14.012 -4.182 1.00 70.41 C ATOM 1286 O ASP A 562 -7.760 -13.172 -3.765 1.00 55.02 O ATOM 1287 CB ASP A 562 -7.979 -16.190 -4.881 1.00 1.01 C ATOM 1288 CG ASP A 562 -7.324 -16.190 -6.248 1.00 73.33 C ATOM 1289 OD1 ASP A 562 -6.082 -16.303 -6.312 1.00 20.22 O ATOM 1290 OD2 ASP A 562 -8.054 -16.078 -7.255 1.00 73.50 O ATOM 0 H ASP A 562 -8.073 -14.771 -2.096 1.00 55.45 H new ATOM 0 HA ASP A 562 -6.137 -15.947 -3.803 1.00 0.43 H new ATOM 0 HB2 ASP A 562 -8.163 -17.218 -4.570 1.00 1.01 H new ATOM 0 HB3 ASP A 562 -8.949 -15.698 -4.946 1.00 1.01 H new ATOM 1295 N ALA A 563 -5.928 -13.706 -4.956 1.00 23.03 N ATOM 1296 CA ALA A 563 -5.663 -12.334 -5.370 1.00 2.22 C ATOM 1297 C ALA A 563 -6.753 -11.822 -6.305 1.00 71.42 C ATOM 1298 O ALA A 563 -6.842 -12.245 -7.458 1.00 12.43 O ATOM 1299 CB ALA A 563 -4.301 -12.239 -6.042 1.00 0.23 C ATOM 0 H ALA A 563 -5.259 -14.390 -5.309 1.00 23.03 H new ATOM 0 HA ALA A 563 -5.661 -11.706 -4.479 1.00 2.22 H new ATOM 0 HB1 ALA A 563 -4.116 -11.209 -6.346 1.00 0.23 H new ATOM 0 HB2 ALA A 563 -3.527 -12.555 -5.342 1.00 0.23 H new ATOM 0 HB3 ALA A 563 -4.282 -12.885 -6.920 1.00 0.23 H new ATOM 1305 N GLN A 564 -7.580 -10.912 -5.801 1.00 31.31 N ATOM 1306 CA GLN A 564 -8.666 -10.345 -6.592 1.00 65.23 C ATOM 1307 C GLN A 564 -8.128 -9.675 -7.853 1.00 21.53 C ATOM 1308 O GLN A 564 -7.402 -8.683 -7.780 1.00 32.12 O ATOM 1309 CB GLN A 564 -9.457 -9.334 -5.761 1.00 3.10 C ATOM 1310 CG GLN A 564 -10.465 -8.536 -6.572 1.00 3.41 C ATOM 1311 CD GLN A 564 -11.536 -9.409 -7.195 1.00 25.32 C ATOM 1312 OE1 GLN A 564 -11.402 -9.859 -8.333 1.00 43.44 O ATOM 1313 NE2 GLN A 564 -12.607 -9.655 -6.450 1.00 22.23 N ATOM 0 H GLN A 564 -7.519 -10.552 -4.849 1.00 31.31 H new ATOM 0 HA GLN A 564 -9.329 -11.158 -6.889 1.00 65.23 H new ATOM 0 HB2 GLN A 564 -9.981 -9.862 -4.964 1.00 3.10 H new ATOM 0 HB3 GLN A 564 -8.761 -8.645 -5.283 1.00 3.10 H new ATOM 0 HG2 GLN A 564 -10.936 -7.793 -5.929 1.00 3.41 H new ATOM 0 HG3 GLN A 564 -9.943 -7.991 -7.359 1.00 3.41 H new ATOM 0 HE21 GLN A 564 -12.677 -9.262 -5.512 1.00 22.23 H new ATOM 0 HE22 GLN A 564 -13.360 -10.238 -6.816 1.00 22.23 H new