USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=12 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 487 GLN : amide:sc= -0.608 K(o=0.39,f=-4.5!) USER MOD Set 1.2: A 489 TYR OH : rot 150:sc= 0.996 USER MOD Single : A 486 MET CE :methyl 147:sc= -0.141 (180deg=-1.03) USER MOD Single : A 503 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-3.4!) USER MOD Single : A 510 ASN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 515 SER OG : rot 180:sc= 0 USER MOD Single : A 516 SER OG : rot 180:sc= 0 USER MOD Single : A 518 TYR OH : rot 180:sc= 0 USER MOD Single : A 521 ASN : amide:sc= -1.15 K(o=-1.1,f=-0.0019) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HE2:sc= -2.53 K(o=-2.5,f=-4.1) USER MOD Single : A 529 SER OG : rot 77:sc= -0.091 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.614 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 X(o=0,f=0) USER MOD Single : A 544 HIS : no HD1:sc= 0 X(o=0,f=-0.045) 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= -4.08 K(o=-4.1,f=-8.9!) USER MOD Single : A 553 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 555 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 556 ASN : amide:sc= 0 X(o=0,f=0.03) USER MOD Single : A 557 MET CE :methyl 174:sc= 0 (180deg=-0.0418) USER MOD Single : A 558 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 564 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 28 N ASP A 482 3.388 -4.590 -4.899 1.00 13.11 N ATOM 29 CA ASP A 482 3.939 -4.681 -6.246 1.00 73.41 C ATOM 30 C ASP A 482 2.849 -5.028 -7.256 1.00 43.23 C ATOM 31 O ASP A 482 2.847 -4.524 -8.380 1.00 14.15 O ATOM 32 CB ASP A 482 5.050 -5.731 -6.295 1.00 72.24 C ATOM 33 CG ASP A 482 6.209 -5.306 -7.175 1.00 70.44 C ATOM 34 OD1 ASP A 482 6.768 -6.173 -7.879 1.00 22.43 O ATOM 35 OD2 ASP A 482 6.558 -4.107 -7.160 1.00 75.12 O ATOM 0 HA ASP A 482 4.357 -3.709 -6.508 1.00 73.41 H new ATOM 0 HB2 ASP A 482 5.414 -5.918 -5.285 1.00 72.24 H new ATOM 0 HB3 ASP A 482 4.642 -6.671 -6.666 1.00 72.24 H new ATOM 40 N VAL A 483 1.925 -5.892 -6.849 1.00 62.44 N ATOM 41 CA VAL A 483 0.830 -6.307 -7.719 1.00 3.45 C ATOM 42 C VAL A 483 -0.513 -6.179 -7.009 1.00 50.20 C ATOM 43 O VAL A 483 -1.508 -5.775 -7.609 1.00 71.23 O ATOM 44 CB VAL A 483 1.011 -7.760 -8.195 1.00 32.23 C ATOM 45 CG1 VAL A 483 1.178 -8.695 -7.006 1.00 52.32 C ATOM 46 CG2 VAL A 483 -0.166 -8.188 -9.058 1.00 54.42 C ATOM 0 H VAL A 483 1.912 -6.318 -5.923 1.00 62.44 H new ATOM 0 HA VAL A 483 0.845 -5.645 -8.585 1.00 3.45 H new ATOM 0 HB VAL A 483 1.916 -7.815 -8.800 1.00 32.23 H new ATOM 0 HG11 VAL A 483 1.305 -9.717 -7.362 1.00 52.32 H new ATOM 0 HG12 VAL A 483 2.056 -8.400 -6.431 1.00 52.32 H new ATOM 0 HG13 VAL A 483 0.293 -8.639 -6.372 1.00 52.32 H new ATOM 0 HG21 VAL A 483 -0.022 -9.217 -9.386 1.00 54.42 H new ATOM 0 HG22 VAL A 483 -1.087 -8.117 -8.479 1.00 54.42 H new ATOM 0 HG23 VAL A 483 -0.235 -7.536 -9.929 1.00 54.42 H new ATOM 56 N GLY A 484 -0.534 -6.526 -5.726 1.00 2.45 N ATOM 57 CA GLY A 484 -1.760 -6.442 -4.954 1.00 73.43 C ATOM 58 C GLY A 484 -2.176 -7.782 -4.380 1.00 22.05 C ATOM 59 O GLY A 484 -3.363 -8.034 -4.171 1.00 25.43 O ATOM 0 H GLY A 484 0.277 -6.864 -5.207 1.00 2.45 H new ATOM 0 HA2 GLY A 484 -1.626 -5.728 -4.141 1.00 73.43 H new ATOM 0 HA3 GLY A 484 -2.559 -6.058 -5.588 1.00 73.43 H new ATOM 63 N ASP A 485 -1.197 -8.644 -4.125 1.00 13.54 N ATOM 64 CA ASP A 485 -1.467 -9.965 -3.571 1.00 34.41 C ATOM 65 C ASP A 485 -2.340 -9.864 -2.324 1.00 33.31 C ATOM 66 O ASP A 485 -1.861 -9.515 -1.246 1.00 0.23 O ATOM 67 CB ASP A 485 -0.157 -10.678 -3.235 1.00 22.53 C ATOM 68 CG ASP A 485 -0.222 -12.168 -3.508 1.00 64.30 C ATOM 69 OD1 ASP A 485 -1.090 -12.842 -2.916 1.00 72.32 O ATOM 70 OD2 ASP A 485 0.597 -12.660 -4.313 1.00 72.41 O ATOM 0 H ASP A 485 -0.210 -8.451 -4.293 1.00 13.54 H new ATOM 0 HA ASP A 485 -2.004 -10.544 -4.322 1.00 34.41 H new ATOM 0 HB2 ASP A 485 0.652 -10.240 -3.819 1.00 22.53 H new ATOM 0 HB3 ASP A 485 0.083 -10.514 -2.185 1.00 22.53 H new ATOM 75 N MET A 486 -3.624 -10.171 -2.480 1.00 22.52 N ATOM 76 CA MET A 486 -4.563 -10.115 -1.366 1.00 35.10 C ATOM 77 C MET A 486 -5.305 -11.439 -1.213 1.00 32.21 C ATOM 78 O MET A 486 -5.995 -11.883 -2.130 1.00 63.53 O ATOM 79 CB MET A 486 -5.565 -8.977 -1.573 1.00 21.13 C ATOM 80 CG MET A 486 -5.840 -8.173 -0.312 1.00 44.14 C ATOM 81 SD MET A 486 -5.581 -6.404 -0.547 1.00 52.12 S ATOM 82 CE MET A 486 -6.603 -6.101 -1.986 1.00 53.44 C ATOM 0 H MET A 486 -4.037 -10.461 -3.366 1.00 22.52 H new ATOM 0 HA MET A 486 -3.996 -9.929 -0.454 1.00 35.10 H new ATOM 0 HB2 MET A 486 -5.188 -8.308 -2.346 1.00 21.13 H new ATOM 0 HB3 MET A 486 -6.503 -9.392 -1.941 1.00 21.13 H new ATOM 0 HG2 MET A 486 -6.867 -8.347 0.008 1.00 44.14 H new ATOM 0 HG3 MET A 486 -5.192 -8.528 0.489 1.00 44.14 H new ATOM 0 HE1 MET A 486 -7.027 -5.098 -1.927 1.00 53.44 H new ATOM 0 HE2 MET A 486 -5.996 -6.186 -2.888 1.00 53.44 H new ATOM 0 HE3 MET A 486 -7.409 -6.834 -2.021 1.00 53.44 H new ATOM 92 N GLN A 487 -5.158 -12.064 -0.049 1.00 0.31 N ATOM 93 CA GLN A 487 -5.814 -13.337 0.222 1.00 22.53 C ATOM 94 C GLN A 487 -6.084 -13.504 1.714 1.00 24.10 C ATOM 95 O GLN A 487 -5.668 -12.677 2.527 1.00 34.10 O ATOM 96 CB GLN A 487 -4.954 -14.496 -0.285 1.00 64.21 C ATOM 97 CG GLN A 487 -4.602 -14.392 -1.760 1.00 64.13 C ATOM 98 CD GLN A 487 -3.745 -15.548 -2.239 1.00 13.11 C ATOM 99 OE1 GLN A 487 -4.106 -16.254 -3.181 1.00 64.01 O ATOM 100 NE2 GLN A 487 -2.604 -15.747 -1.591 1.00 24.34 N ATOM 0 H GLN A 487 -4.591 -11.709 0.721 1.00 0.31 H new ATOM 0 HA GLN A 487 -6.768 -13.344 -0.304 1.00 22.53 H new ATOM 0 HB2 GLN A 487 -4.034 -14.537 0.298 1.00 64.21 H new ATOM 0 HB3 GLN A 487 -5.483 -15.433 -0.111 1.00 64.21 H new ATOM 0 HG2 GLN A 487 -5.520 -14.358 -2.347 1.00 64.13 H new ATOM 0 HG3 GLN A 487 -4.074 -13.455 -1.938 1.00 64.13 H new ATOM 0 HE21 GLN A 487 -2.345 -15.137 -0.816 1.00 24.34 H new ATOM 0 HE22 GLN A 487 -1.986 -16.510 -1.868 1.00 24.34 H new ATOM 109 N LEU A 488 -6.781 -14.578 2.068 1.00 55.35 N ATOM 110 CA LEU A 488 -7.107 -14.853 3.463 1.00 74.25 C ATOM 111 C LEU A 488 -6.380 -16.100 3.956 1.00 45.50 C ATOM 112 O LEU A 488 -6.707 -17.219 3.562 1.00 71.02 O ATOM 113 CB LEU A 488 -8.618 -15.032 3.628 1.00 4.53 C ATOM 114 CG LEU A 488 -9.147 -14.970 5.061 1.00 34.13 C ATOM 115 CD1 LEU A 488 -9.070 -13.550 5.599 1.00 44.42 C ATOM 116 CD2 LEU A 488 -10.577 -15.488 5.124 1.00 22.52 C ATOM 0 H LEU A 488 -7.131 -15.273 1.408 1.00 55.35 H new ATOM 0 HA LEU A 488 -6.780 -14.003 4.062 1.00 74.25 H new ATOM 0 HB2 LEU A 488 -9.121 -14.263 3.042 1.00 4.53 H new ATOM 0 HB3 LEU A 488 -8.899 -15.994 3.199 1.00 4.53 H new ATOM 0 HG LEU A 488 -8.521 -15.607 5.686 1.00 34.13 H new ATOM 0 HD11 LEU A 488 -9.451 -13.527 6.620 1.00 44.42 H new ATOM 0 HD12 LEU A 488 -8.033 -13.214 5.591 1.00 44.42 H new ATOM 0 HD13 LEU A 488 -9.670 -12.890 4.972 1.00 44.42 H new ATOM 0 HD21 LEU A 488 -10.938 -15.437 6.151 1.00 22.52 H new ATOM 0 HD22 LEU A 488 -11.214 -14.877 4.485 1.00 22.52 H new ATOM 0 HD23 LEU A 488 -10.605 -16.522 4.781 1.00 22.52 H new ATOM 128 N TYR A 489 -5.392 -15.898 4.822 1.00 55.24 N ATOM 129 CA TYR A 489 -4.618 -17.005 5.369 1.00 21.22 C ATOM 130 C TYR A 489 -5.040 -17.308 6.804 1.00 62.33 C ATOM 131 O TYR A 489 -4.860 -16.486 7.702 1.00 22.33 O ATOM 132 CB TYR A 489 -3.124 -16.682 5.323 1.00 44.12 C ATOM 133 CG TYR A 489 -2.681 -16.047 4.023 1.00 34.45 C ATOM 134 CD1 TYR A 489 -2.787 -14.676 3.826 1.00 30.03 C ATOM 135 CD2 TYR A 489 -2.159 -16.819 2.993 1.00 51.01 C ATOM 136 CE1 TYR A 489 -2.385 -14.092 2.641 1.00 40.23 C ATOM 137 CE2 TYR A 489 -1.753 -16.243 1.805 1.00 72.34 C ATOM 138 CZ TYR A 489 -1.868 -14.879 1.633 1.00 33.52 C ATOM 139 OH TYR A 489 -1.466 -14.302 0.450 1.00 35.34 O ATOM 0 H TYR A 489 -5.109 -14.978 5.160 1.00 55.24 H new ATOM 0 HA TYR A 489 -4.811 -17.887 4.758 1.00 21.22 H new ATOM 0 HB2 TYR A 489 -2.880 -16.011 6.147 1.00 44.12 H new ATOM 0 HB3 TYR A 489 -2.557 -17.600 5.481 1.00 44.12 H new ATOM 0 HD1 TYR A 489 -3.191 -14.056 4.613 1.00 30.03 H new ATOM 0 HD2 TYR A 489 -2.069 -17.887 3.123 1.00 51.01 H new ATOM 0 HE1 TYR A 489 -2.475 -13.024 2.504 1.00 40.23 H new ATOM 0 HE2 TYR A 489 -1.348 -16.857 1.015 1.00 72.34 H new ATOM 0 HH TYR A 489 -0.735 -14.826 0.062 1.00 35.34 H new ATOM 149 N ARG A 490 -5.602 -18.495 7.010 1.00 5.10 N ATOM 150 CA ARG A 490 -6.050 -18.908 8.334 1.00 0.03 C ATOM 151 C ARG A 490 -5.031 -19.837 8.988 1.00 0.43 C ATOM 152 O ARG A 490 -4.571 -20.800 8.374 1.00 2.34 O ATOM 153 CB ARG A 490 -7.407 -19.607 8.241 1.00 33.43 C ATOM 154 CG ARG A 490 -7.383 -20.874 7.402 1.00 75.14 C ATOM 155 CD ARG A 490 -7.333 -22.119 8.273 1.00 23.30 C ATOM 156 NE ARG A 490 -8.668 -22.609 8.606 1.00 64.43 N ATOM 157 CZ ARG A 490 -8.914 -23.847 9.021 1.00 2.34 C ATOM 158 NH1 ARG A 490 -7.920 -24.715 9.155 1.00 14.31 N ATOM 159 NH2 ARG A 490 -10.156 -24.218 9.305 1.00 42.01 N ATOM 0 H ARG A 490 -5.758 -19.187 6.277 1.00 5.10 H new ATOM 0 HA ARG A 490 -6.150 -18.015 8.951 1.00 0.03 H new ATOM 0 HB2 ARG A 490 -7.749 -19.853 9.246 1.00 33.43 H new ATOM 0 HB3 ARG A 490 -8.135 -18.915 7.818 1.00 33.43 H new ATOM 0 HG2 ARG A 490 -8.269 -20.908 6.767 1.00 75.14 H new ATOM 0 HG3 ARG A 490 -6.517 -20.857 6.740 1.00 75.14 H new ATOM 0 HD2 ARG A 490 -6.779 -22.902 7.755 1.00 23.30 H new ATOM 0 HD3 ARG A 490 -6.789 -21.897 9.191 1.00 23.30 H new ATOM 0 HE ARG A 490 -9.454 -21.966 8.515 1.00 64.43 H new ATOM 0 HH11 ARG A 490 -6.964 -24.433 8.939 1.00 14.31 H new ATOM 0 HH12 ARG A 490 -8.112 -25.665 9.474 1.00 14.31 H new ATOM 0 HH21 ARG A 490 -10.923 -23.553 9.205 1.00 42.01 H new ATOM 0 HH22 ARG A 490 -10.344 -25.169 9.624 1.00 42.01 H new ATOM 173 N ILE A 491 -4.683 -19.540 10.236 1.00 51.11 N ATOM 174 CA ILE A 491 -3.720 -20.348 10.972 1.00 25.35 C ATOM 175 C ILE A 491 -4.422 -21.304 11.931 1.00 52.11 C ATOM 176 O ILE A 491 -5.630 -21.207 12.144 1.00 10.35 O ATOM 177 CB ILE A 491 -2.739 -19.468 11.770 1.00 71.11 C ATOM 178 CG1 ILE A 491 -3.494 -18.644 12.815 1.00 2.01 C ATOM 179 CG2 ILE A 491 -1.961 -18.558 10.831 1.00 24.34 C ATOM 180 CD1 ILE A 491 -2.587 -17.956 13.812 1.00 75.21 C ATOM 0 H ILE A 491 -5.054 -18.746 10.758 1.00 51.11 H new ATOM 0 HA ILE A 491 -3.162 -20.923 10.233 1.00 25.35 H new ATOM 0 HB ILE A 491 -2.031 -20.115 12.287 1.00 71.11 H new ATOM 0 HG12 ILE A 491 -4.098 -17.893 12.306 1.00 2.01 H new ATOM 0 HG13 ILE A 491 -4.183 -19.296 13.352 1.00 2.01 H new ATOM 0 HG21 ILE A 491 -1.272 -17.942 11.409 1.00 24.34 H new ATOM 0 HG22 ILE A 491 -1.398 -19.164 10.121 1.00 24.34 H new ATOM 0 HG23 ILE A 491 -2.655 -17.915 10.289 1.00 24.34 H new ATOM 0 HD11 ILE A 491 -3.190 -17.390 14.522 1.00 75.21 H new ATOM 0 HD12 ILE A 491 -2.001 -18.703 14.347 1.00 75.21 H new ATOM 0 HD13 ILE A 491 -1.915 -17.278 13.285 1.00 75.21 H new ATOM 192 N GLU A 492 -3.656 -22.225 12.507 1.00 73.55 N ATOM 193 CA GLU A 492 -4.206 -23.198 13.443 1.00 32.15 C ATOM 194 C GLU A 492 -3.919 -22.787 14.885 1.00 74.31 C ATOM 195 O GLU A 492 -3.567 -23.619 15.721 1.00 32.51 O ATOM 196 CB GLU A 492 -3.624 -24.587 13.172 1.00 41.21 C ATOM 197 CG GLU A 492 -4.368 -25.708 13.878 1.00 54.44 C ATOM 198 CD GLU A 492 -3.446 -26.816 14.346 1.00 61.54 C ATOM 199 OE1 GLU A 492 -3.018 -26.776 15.518 1.00 4.21 O ATOM 200 OE2 GLU A 492 -3.152 -27.724 13.540 1.00 32.21 O ATOM 0 H GLU A 492 -2.654 -22.318 12.342 1.00 73.55 H new ATOM 0 HA GLU A 492 -5.286 -23.231 13.300 1.00 32.15 H new ATOM 0 HB2 GLU A 492 -3.637 -24.774 12.098 1.00 41.21 H new ATOM 0 HB3 GLU A 492 -2.580 -24.602 13.485 1.00 41.21 H new ATOM 0 HG2 GLU A 492 -4.904 -25.300 14.735 1.00 54.44 H new ATOM 0 HG3 GLU A 492 -5.116 -26.124 13.203 1.00 54.44 H new ATOM 207 N VAL A 493 -4.072 -21.498 15.168 1.00 12.41 N ATOM 208 CA VAL A 493 -3.831 -20.975 16.508 1.00 64.23 C ATOM 209 C VAL A 493 -4.831 -19.880 16.859 1.00 32.02 C ATOM 210 O VAL A 493 -5.080 -18.974 16.065 1.00 11.23 O ATOM 211 CB VAL A 493 -2.403 -20.413 16.642 1.00 62.12 C ATOM 212 CG1 VAL A 493 -2.040 -20.221 18.106 1.00 22.04 C ATOM 213 CG2 VAL A 493 -1.403 -21.329 15.952 1.00 52.11 C ATOM 0 H VAL A 493 -4.362 -20.796 14.487 1.00 12.41 H new ATOM 0 HA VAL A 493 -3.952 -21.809 17.200 1.00 64.23 H new ATOM 0 HB VAL A 493 -2.367 -19.440 16.153 1.00 62.12 H new ATOM 0 HG11 VAL A 493 -1.028 -19.823 18.181 1.00 22.04 H new ATOM 0 HG12 VAL A 493 -2.739 -19.522 18.566 1.00 22.04 H new ATOM 0 HG13 VAL A 493 -2.092 -21.179 18.623 1.00 22.04 H new ATOM 0 HG21 VAL A 493 -0.399 -20.917 16.057 1.00 52.11 H new ATOM 0 HG22 VAL A 493 -1.439 -22.317 16.410 1.00 52.11 H new ATOM 0 HG23 VAL A 493 -1.653 -21.410 14.894 1.00 52.11 H new ATOM 223 N GLY A 494 -5.403 -19.970 18.056 1.00 22.15 N ATOM 224 CA GLY A 494 -6.370 -18.980 18.493 1.00 31.20 C ATOM 225 C GLY A 494 -6.213 -18.623 19.958 1.00 51.13 C ATOM 226 O GLY A 494 -5.204 -18.956 20.580 1.00 14.41 O ATOM 0 H GLY A 494 -5.214 -20.711 18.731 1.00 22.15 H new ATOM 0 HA2 GLY A 494 -6.261 -18.079 17.889 1.00 31.20 H new ATOM 0 HA3 GLY A 494 -7.377 -19.360 18.321 1.00 31.20 H new ATOM 230 N ARG A 495 -7.212 -17.942 20.509 1.00 33.04 N ATOM 231 CA ARG A 495 -7.179 -17.537 21.909 1.00 12.44 C ATOM 232 C ARG A 495 -6.918 -18.735 22.817 1.00 63.45 C ATOM 233 O ARG A 495 -6.229 -18.621 23.830 1.00 3.34 O ATOM 234 CB ARG A 495 -8.498 -16.866 22.300 1.00 61.43 C ATOM 235 CG ARG A 495 -9.727 -17.682 21.934 1.00 32.14 C ATOM 236 CD ARG A 495 -10.990 -17.089 22.540 1.00 24.14 C ATOM 237 NE ARG A 495 -11.040 -17.272 23.988 1.00 22.54 N ATOM 238 CZ ARG A 495 -11.247 -18.447 24.574 1.00 52.22 C ATOM 239 NH1 ARG A 495 -11.422 -19.536 23.838 1.00 31.14 N ATOM 240 NH2 ARG A 495 -11.279 -18.533 25.897 1.00 33.25 N ATOM 0 H ARG A 495 -8.054 -17.659 20.008 1.00 33.04 H new ATOM 0 HA ARG A 495 -6.364 -16.824 22.034 1.00 12.44 H new ATOM 0 HB2 ARG A 495 -8.499 -16.685 23.375 1.00 61.43 H new ATOM 0 HB3 ARG A 495 -8.560 -15.893 21.813 1.00 61.43 H new ATOM 0 HG2 ARG A 495 -9.828 -17.724 20.849 1.00 32.14 H new ATOM 0 HG3 ARG A 495 -9.602 -18.707 22.282 1.00 32.14 H new ATOM 0 HD2 ARG A 495 -11.039 -16.025 22.307 1.00 24.14 H new ATOM 0 HD3 ARG A 495 -11.864 -17.555 22.085 1.00 24.14 H new ATOM 0 HE ARG A 495 -10.909 -16.453 24.582 1.00 22.54 H new ATOM 0 HH11 ARG A 495 -11.398 -19.473 22.820 1.00 31.14 H new ATOM 0 HH12 ARG A 495 -11.581 -20.437 24.290 1.00 31.14 H new ATOM 0 HH21 ARG A 495 -11.145 -17.697 26.466 1.00 33.25 H new ATOM 0 HH22 ARG A 495 -11.438 -19.435 26.346 1.00 33.25 H new ATOM 254 N ASP A 496 -7.472 -19.884 22.445 1.00 15.21 N ATOM 255 CA ASP A 496 -7.299 -21.104 23.224 1.00 30.24 C ATOM 256 C ASP A 496 -5.831 -21.515 23.272 1.00 44.25 C ATOM 257 O ASP A 496 -5.403 -22.226 24.181 1.00 15.12 O ATOM 258 CB ASP A 496 -8.139 -22.237 22.632 1.00 14.43 C ATOM 259 CG ASP A 496 -8.590 -23.233 23.682 1.00 25.42 C ATOM 260 OD1 ASP A 496 -7.762 -24.071 24.099 1.00 1.23 O ATOM 261 OD2 ASP A 496 -9.769 -23.176 24.087 1.00 11.44 O ATOM 0 H ASP A 496 -8.045 -19.996 21.608 1.00 15.21 H new ATOM 0 HA ASP A 496 -7.636 -20.906 24.242 1.00 30.24 H new ATOM 0 HB2 ASP A 496 -9.013 -21.816 22.136 1.00 14.43 H new ATOM 0 HB3 ASP A 496 -7.558 -22.756 21.869 1.00 14.43 H new ATOM 266 N ASP A 497 -5.063 -21.063 22.285 1.00 35.15 N ATOM 267 CA ASP A 497 -3.643 -21.383 22.214 1.00 24.41 C ATOM 268 C ASP A 497 -2.806 -20.294 22.879 1.00 70.45 C ATOM 269 O ASP A 497 -1.839 -20.583 23.582 1.00 10.22 O ATOM 270 CB ASP A 497 -3.210 -21.559 20.758 1.00 50.34 C ATOM 271 CG ASP A 497 -2.837 -22.992 20.433 1.00 54.12 C ATOM 272 OD1 ASP A 497 -1.984 -23.560 21.147 1.00 41.35 O ATOM 273 OD2 ASP A 497 -3.400 -23.546 19.466 1.00 62.14 O ATOM 0 H ASP A 497 -5.401 -20.474 21.524 1.00 35.15 H new ATOM 0 HA ASP A 497 -3.480 -22.319 22.749 1.00 24.41 H new ATOM 0 HB2 ASP A 497 -4.019 -21.239 20.101 1.00 50.34 H new ATOM 0 HB3 ASP A 497 -2.358 -20.910 20.555 1.00 50.34 H new ATOM 278 N GLY A 498 -3.185 -19.041 22.649 1.00 51.33 N ATOM 279 CA GLY A 498 -2.459 -17.928 23.231 1.00 44.51 C ATOM 280 C GLY A 498 -2.237 -16.800 22.243 1.00 50.51 C ATOM 281 O GLY A 498 -1.212 -16.119 22.286 1.00 13.44 O ATOM 0 H GLY A 498 -3.982 -18.777 22.070 1.00 51.33 H new ATOM 0 HA2 GLY A 498 -3.010 -17.549 24.092 1.00 44.51 H new ATOM 0 HA3 GLY A 498 -1.495 -18.280 23.599 1.00 44.51 H new ATOM 285 N VAL A 499 -3.199 -16.601 21.348 1.00 75.54 N ATOM 286 CA VAL A 499 -3.105 -15.549 20.344 1.00 43.45 C ATOM 287 C VAL A 499 -4.370 -14.699 20.317 1.00 12.11 C ATOM 288 O VAL A 499 -5.470 -15.199 20.549 1.00 20.43 O ATOM 289 CB VAL A 499 -2.862 -16.132 18.939 1.00 31.50 C ATOM 290 CG1 VAL A 499 -4.175 -16.570 18.308 1.00 14.43 C ATOM 291 CG2 VAL A 499 -2.149 -15.119 18.057 1.00 41.10 C ATOM 0 H VAL A 499 -4.054 -17.156 21.298 1.00 75.54 H new ATOM 0 HA VAL A 499 -2.256 -14.924 20.621 1.00 43.45 H new ATOM 0 HB VAL A 499 -2.222 -17.009 19.035 1.00 31.50 H new ATOM 0 HG11 VAL A 499 -3.983 -16.979 17.316 1.00 14.43 H new ATOM 0 HG12 VAL A 499 -4.642 -17.333 18.931 1.00 14.43 H new ATOM 0 HG13 VAL A 499 -4.842 -15.712 18.224 1.00 14.43 H new ATOM 0 HG21 VAL A 499 -1.986 -15.548 17.069 1.00 41.10 H new ATOM 0 HG22 VAL A 499 -2.761 -14.221 17.966 1.00 41.10 H new ATOM 0 HG23 VAL A 499 -1.189 -14.860 18.503 1.00 41.10 H new ATOM 301 N GLU A 500 -4.206 -13.411 20.032 1.00 2.21 N ATOM 302 CA GLU A 500 -5.336 -12.491 19.976 1.00 72.33 C ATOM 303 C GLU A 500 -5.366 -11.747 18.644 1.00 74.33 C ATOM 304 O GLU A 500 -4.616 -12.070 17.723 1.00 50.34 O ATOM 305 CB GLU A 500 -5.266 -11.490 21.130 1.00 5.24 C ATOM 306 CG GLU A 500 -4.893 -12.121 22.462 1.00 54.25 C ATOM 307 CD GLU A 500 -5.602 -11.470 23.634 1.00 61.32 C ATOM 308 OE1 GLU A 500 -6.154 -10.365 23.453 1.00 1.32 O ATOM 309 OE2 GLU A 500 -5.604 -12.066 24.731 1.00 31.02 O ATOM 0 H GLU A 500 -3.302 -12.981 19.836 1.00 2.21 H new ATOM 0 HA GLU A 500 -6.252 -13.075 20.067 1.00 72.33 H new ATOM 0 HB2 GLU A 500 -4.536 -10.718 20.886 1.00 5.24 H new ATOM 0 HB3 GLU A 500 -6.232 -10.995 21.230 1.00 5.24 H new ATOM 0 HG2 GLU A 500 -5.138 -13.183 22.438 1.00 54.25 H new ATOM 0 HG3 GLU A 500 -3.815 -12.046 22.607 1.00 54.25 H new ATOM 316 N VAL A 501 -6.240 -10.750 18.549 1.00 11.14 N ATOM 317 CA VAL A 501 -6.369 -9.959 17.331 1.00 21.03 C ATOM 318 C VAL A 501 -5.226 -8.958 17.203 1.00 72.03 C ATOM 319 O VAL A 501 -4.807 -8.618 16.096 1.00 12.32 O ATOM 320 CB VAL A 501 -7.708 -9.200 17.294 1.00 15.11 C ATOM 321 CG1 VAL A 501 -7.809 -8.355 16.033 1.00 2.02 C ATOM 322 CG2 VAL A 501 -8.874 -10.172 17.388 1.00 34.52 C ATOM 0 H VAL A 501 -6.870 -10.471 19.301 1.00 11.14 H new ATOM 0 HA VAL A 501 -6.333 -10.657 16.495 1.00 21.03 H new ATOM 0 HB VAL A 501 -7.750 -8.532 18.154 1.00 15.11 H new ATOM 0 HG11 VAL A 501 -8.762 -7.826 16.025 1.00 2.02 H new ATOM 0 HG12 VAL A 501 -6.993 -7.633 16.013 1.00 2.02 H new ATOM 0 HG13 VAL A 501 -7.744 -9.000 15.157 1.00 2.02 H new ATOM 0 HG21 VAL A 501 -9.812 -9.618 17.360 1.00 34.52 H new ATOM 0 HG22 VAL A 501 -8.838 -10.866 16.549 1.00 34.52 H new ATOM 0 HG23 VAL A 501 -8.809 -10.729 18.323 1.00 34.52 H new ATOM 332 N ARG A 502 -4.726 -8.490 18.341 1.00 22.14 N ATOM 333 CA ARG A 502 -3.631 -7.527 18.356 1.00 14.03 C ATOM 334 C ARG A 502 -2.281 -8.238 18.336 1.00 13.20 C ATOM 335 O ARG A 502 -1.231 -7.597 18.289 1.00 41.34 O ATOM 336 CB ARG A 502 -3.729 -6.631 19.592 1.00 13.32 C ATOM 337 CG ARG A 502 -3.806 -7.402 20.900 1.00 70.15 C ATOM 338 CD ARG A 502 -3.503 -6.509 22.092 1.00 5.22 C ATOM 339 NE ARG A 502 -4.617 -5.618 22.407 1.00 64.34 N ATOM 340 CZ ARG A 502 -4.548 -4.645 23.308 1.00 22.43 C ATOM 341 NH1 ARG A 502 -3.424 -4.438 23.981 1.00 60.53 N ATOM 342 NH2 ARG A 502 -5.604 -3.877 23.538 1.00 15.55 N ATOM 0 H ARG A 502 -5.061 -8.762 19.265 1.00 22.14 H new ATOM 0 HA ARG A 502 -3.711 -6.910 17.461 1.00 14.03 H new ATOM 0 HB2 ARG A 502 -2.863 -5.970 19.620 1.00 13.32 H new ATOM 0 HB3 ARG A 502 -4.611 -5.997 19.501 1.00 13.32 H new ATOM 0 HG2 ARG A 502 -4.801 -7.834 21.011 1.00 70.15 H new ATOM 0 HG3 ARG A 502 -3.099 -8.232 20.877 1.00 70.15 H new ATOM 0 HD2 ARG A 502 -3.277 -7.128 22.960 1.00 5.22 H new ATOM 0 HD3 ARG A 502 -2.613 -5.916 21.883 1.00 5.22 H new ATOM 0 HE ARG A 502 -5.496 -5.751 21.907 1.00 64.34 H new ATOM 0 HH11 ARG A 502 -2.610 -5.027 23.807 1.00 60.53 H new ATOM 0 HH12 ARG A 502 -3.374 -3.690 24.672 1.00 60.53 H new ATOM 0 HH21 ARG A 502 -6.470 -4.033 23.023 1.00 15.55 H new ATOM 0 HH22 ARG A 502 -5.550 -3.130 24.230 1.00 15.55 H new ATOM 356 N HIS A 503 -2.317 -9.566 18.373 1.00 70.11 N ATOM 357 CA HIS A 503 -1.096 -10.364 18.359 1.00 73.44 C ATOM 358 C HIS A 503 -0.605 -10.580 16.930 1.00 4.35 C ATOM 359 O HIS A 503 0.527 -10.230 16.594 1.00 1.43 O ATOM 360 CB HIS A 503 -1.336 -11.714 19.037 1.00 52.43 C ATOM 361 CG HIS A 503 -0.100 -12.313 19.633 1.00 2.50 C ATOM 362 ND1 HIS A 503 -0.129 -13.236 20.657 1.00 71.04 N ATOM 363 CD2 HIS A 503 1.208 -12.116 19.343 1.00 73.22 C ATOM 364 CE1 HIS A 503 1.107 -13.580 20.971 1.00 32.54 C ATOM 365 NE2 HIS A 503 1.937 -12.915 20.188 1.00 30.44 N ATOM 0 H HIS A 503 -3.178 -10.112 18.413 1.00 70.11 H new ATOM 0 HA HIS A 503 -0.329 -9.820 18.910 1.00 73.44 H new ATOM 0 HB2 HIS A 503 -2.084 -11.590 19.820 1.00 52.43 H new ATOM 0 HB3 HIS A 503 -1.751 -12.409 18.307 1.00 52.43 H new ATOM 0 HD2 HIS A 503 1.604 -11.454 18.587 1.00 73.22 H new ATOM 0 HE1 HIS A 503 1.391 -14.285 21.738 1.00 32.54 H new ATOM 0 HE2 HIS A 503 2.954 -12.984 20.208 1.00 30.44 H new ATOM 373 N ILE A 504 -1.462 -11.158 16.096 1.00 44.13 N ATOM 374 CA ILE A 504 -1.114 -11.419 14.705 1.00 62.24 C ATOM 375 C ILE A 504 -1.025 -10.122 13.907 1.00 31.42 C ATOM 376 O ILE A 504 -0.319 -10.046 12.902 1.00 64.01 O ATOM 377 CB ILE A 504 -2.139 -12.352 14.034 1.00 73.04 C ATOM 378 CG1 ILE A 504 -3.404 -11.574 13.665 1.00 33.21 C ATOM 379 CG2 ILE A 504 -2.476 -13.517 14.952 1.00 21.12 C ATOM 380 CD1 ILE A 504 -4.239 -11.176 14.862 1.00 1.12 C ATOM 0 H ILE A 504 -2.402 -11.454 16.359 1.00 44.13 H new ATOM 0 HA ILE A 504 -0.139 -11.907 14.710 1.00 62.24 H new ATOM 0 HB ILE A 504 -1.701 -12.751 13.119 1.00 73.04 H new ATOM 0 HG12 ILE A 504 -3.121 -10.677 13.115 1.00 33.21 H new ATOM 0 HG13 ILE A 504 -4.012 -12.181 12.994 1.00 33.21 H new ATOM 0 HG21 ILE A 504 -3.202 -14.167 14.463 1.00 21.12 H new ATOM 0 HG22 ILE A 504 -1.570 -14.083 15.169 1.00 21.12 H new ATOM 0 HG23 ILE A 504 -2.898 -13.137 15.882 1.00 21.12 H new ATOM 0 HD11 ILE A 504 -5.119 -10.628 14.526 1.00 1.12 H new ATOM 0 HD12 ILE A 504 -4.552 -12.070 15.401 1.00 1.12 H new ATOM 0 HD13 ILE A 504 -3.648 -10.542 15.523 1.00 1.12 H new ATOM 392 N VAL A 505 -1.746 -9.103 14.364 1.00 43.13 N ATOM 393 CA VAL A 505 -1.747 -7.807 13.695 1.00 25.21 C ATOM 394 C VAL A 505 -0.508 -6.998 14.064 1.00 53.23 C ATOM 395 O VAL A 505 0.271 -6.606 13.196 1.00 10.12 O ATOM 396 CB VAL A 505 -3.004 -6.992 14.052 1.00 60.43 C ATOM 397 CG1 VAL A 505 -2.870 -5.560 13.558 1.00 51.02 C ATOM 398 CG2 VAL A 505 -4.247 -7.651 13.472 1.00 0.24 C ATOM 0 H VAL A 505 -2.337 -9.150 15.194 1.00 43.13 H new ATOM 0 HA VAL A 505 -1.743 -8.004 12.623 1.00 25.21 H new ATOM 0 HB VAL A 505 -3.105 -6.968 15.137 1.00 60.43 H new ATOM 0 HG11 VAL A 505 -3.768 -4.999 13.819 1.00 51.02 H new ATOM 0 HG12 VAL A 505 -2.002 -5.094 14.025 1.00 51.02 H new ATOM 0 HG13 VAL A 505 -2.744 -5.559 12.475 1.00 51.02 H new ATOM 0 HG21 VAL A 505 -5.126 -7.063 13.733 1.00 0.24 H new ATOM 0 HG22 VAL A 505 -4.157 -7.706 12.387 1.00 0.24 H new ATOM 0 HG23 VAL A 505 -4.349 -8.657 13.879 1.00 0.24 H new ATOM 408 N GLY A 506 -0.333 -6.751 15.358 1.00 20.05 N ATOM 409 CA GLY A 506 0.813 -5.990 15.820 1.00 50.40 C ATOM 410 C GLY A 506 2.129 -6.663 15.485 1.00 43.50 C ATOM 411 O GLY A 506 3.173 -6.012 15.440 1.00 52.15 O ATOM 0 H GLY A 506 -0.965 -7.064 16.095 1.00 20.05 H new ATOM 0 HA2 GLY A 506 0.791 -4.997 15.370 1.00 50.40 H new ATOM 0 HA3 GLY A 506 0.743 -5.853 16.899 1.00 50.40 H new ATOM 415 N ALA A 507 2.081 -7.970 15.251 1.00 10.13 N ATOM 416 CA ALA A 507 3.279 -8.731 14.919 1.00 73.23 C ATOM 417 C ALA A 507 3.739 -8.436 13.495 1.00 3.33 C ATOM 418 O ALA A 507 4.877 -8.020 13.275 1.00 22.01 O ATOM 419 CB ALA A 507 3.023 -10.221 15.094 1.00 11.22 C ATOM 0 H ALA A 507 1.225 -8.524 15.285 1.00 10.13 H new ATOM 0 HA ALA A 507 4.073 -8.427 15.601 1.00 73.23 H new ATOM 0 HB1 ALA A 507 3.926 -10.777 14.843 1.00 11.22 H new ATOM 0 HB2 ALA A 507 2.748 -10.424 16.129 1.00 11.22 H new ATOM 0 HB3 ALA A 507 2.211 -10.530 14.436 1.00 11.22 H new ATOM 425 N ILE A 508 2.849 -8.653 12.533 1.00 21.52 N ATOM 426 CA ILE A 508 3.165 -8.410 11.131 1.00 3.23 C ATOM 427 C ILE A 508 3.225 -6.916 10.833 1.00 54.42 C ATOM 428 O ILE A 508 3.896 -6.486 9.895 1.00 14.20 O ATOM 429 CB ILE A 508 2.131 -9.068 10.198 1.00 3.45 C ATOM 430 CG1 ILE A 508 0.748 -8.452 10.420 1.00 20.30 C ATOM 431 CG2 ILE A 508 2.091 -10.571 10.428 1.00 4.14 C ATOM 432 CD1 ILE A 508 0.435 -7.314 9.475 1.00 53.32 C ATOM 0 H ILE A 508 1.903 -8.997 12.699 1.00 21.52 H new ATOM 0 HA ILE A 508 4.143 -8.855 10.946 1.00 3.23 H new ATOM 0 HB ILE A 508 2.427 -8.887 9.165 1.00 3.45 H new ATOM 0 HG12 ILE A 508 -0.009 -9.228 10.305 1.00 20.30 H new ATOM 0 HG13 ILE A 508 0.681 -8.090 11.446 1.00 20.30 H new ATOM 0 HG21 ILE A 508 1.356 -11.022 9.761 1.00 4.14 H new ATOM 0 HG22 ILE A 508 3.074 -10.996 10.225 1.00 4.14 H new ATOM 0 HG23 ILE A 508 1.815 -10.774 11.463 1.00 4.14 H new ATOM 0 HD11 ILE A 508 -0.561 -6.926 9.690 1.00 53.32 H new ATOM 0 HD12 ILE A 508 1.170 -6.520 9.606 1.00 53.32 H new ATOM 0 HD13 ILE A 508 0.470 -7.675 8.447 1.00 53.32 H new ATOM 444 N ALA A 509 2.519 -6.128 11.638 1.00 21.44 N ATOM 445 CA ALA A 509 2.494 -4.682 11.463 1.00 5.42 C ATOM 446 C ALA A 509 3.766 -4.041 12.008 1.00 4.23 C ATOM 447 O ALA A 509 4.158 -2.956 11.581 1.00 63.03 O ATOM 448 CB ALA A 509 1.269 -4.088 12.143 1.00 62.40 C ATOM 0 H ALA A 509 1.957 -6.468 12.418 1.00 21.44 H new ATOM 0 HA ALA A 509 2.441 -4.472 10.395 1.00 5.42 H new ATOM 0 HB1 ALA A 509 1.264 -3.007 12.004 1.00 62.40 H new ATOM 0 HB2 ALA A 509 0.367 -4.515 11.705 1.00 62.40 H new ATOM 0 HB3 ALA A 509 1.298 -4.316 13.208 1.00 62.40 H new ATOM 454 N ASN A 510 4.406 -4.719 12.955 1.00 22.33 N ATOM 455 CA ASN A 510 5.634 -4.215 13.560 1.00 52.21 C ATOM 456 C ASN A 510 6.860 -4.742 12.822 1.00 64.42 C ATOM 457 O ASN A 510 7.921 -4.118 12.836 1.00 73.34 O ATOM 458 CB ASN A 510 5.702 -4.614 15.035 1.00 33.13 C ATOM 459 CG ASN A 510 6.917 -4.037 15.735 1.00 10.11 C ATOM 460 OD1 ASN A 510 7.655 -4.752 16.412 1.00 22.35 O ATOM 461 ND2 ASN A 510 7.130 -2.736 15.574 1.00 31.02 N ATOM 0 H ASN A 510 4.095 -5.619 13.320 1.00 22.33 H new ATOM 0 HA ASN A 510 5.626 -3.128 13.485 1.00 52.21 H new ATOM 0 HB2 ASN A 510 4.799 -4.275 15.542 1.00 33.13 H new ATOM 0 HB3 ASN A 510 5.723 -5.701 15.114 1.00 33.13 H new ATOM 0 HD21 ASN A 510 7.932 -2.291 16.021 1.00 31.02 H new ATOM 0 HD22 ASN A 510 6.492 -2.181 15.004 1.00 31.02 H new ATOM 468 N GLU A 511 6.707 -5.895 12.178 1.00 75.30 N ATOM 469 CA GLU A 511 7.802 -6.506 11.435 1.00 70.45 C ATOM 470 C GLU A 511 8.145 -5.683 10.196 1.00 21.13 C ATOM 471 O GLU A 511 9.316 -5.469 9.885 1.00 52.12 O ATOM 472 CB GLU A 511 7.436 -7.935 11.025 1.00 11.34 C ATOM 473 CG GLU A 511 7.657 -8.959 12.126 1.00 42.30 C ATOM 474 CD GLU A 511 9.108 -9.046 12.559 1.00 12.50 C ATOM 475 OE1 GLU A 511 9.901 -9.697 11.847 1.00 52.41 O ATOM 476 OE2 GLU A 511 9.450 -8.463 13.609 1.00 31.32 O ATOM 0 H GLU A 511 5.835 -6.424 12.156 1.00 75.30 H new ATOM 0 HA GLU A 511 8.676 -6.535 12.085 1.00 70.45 H new ATOM 0 HB2 GLU A 511 6.389 -7.960 10.721 1.00 11.34 H new ATOM 0 HB3 GLU A 511 8.027 -8.217 10.154 1.00 11.34 H new ATOM 0 HG2 GLU A 511 7.040 -8.701 12.986 1.00 42.30 H new ATOM 0 HG3 GLU A 511 7.326 -9.938 11.779 1.00 42.30 H new ATOM 483 N GLY A 512 7.114 -5.224 9.493 1.00 30.42 N ATOM 484 CA GLY A 512 7.326 -4.431 8.297 1.00 42.21 C ATOM 485 C GLY A 512 6.664 -3.070 8.379 1.00 52.21 C ATOM 486 O GLY A 512 6.560 -2.487 9.458 1.00 13.32 O ATOM 0 H GLY A 512 6.136 -5.387 9.731 1.00 30.42 H new ATOM 0 HA2 GLY A 512 8.396 -4.302 8.135 1.00 42.21 H new ATOM 0 HA3 GLY A 512 6.936 -4.970 7.434 1.00 42.21 H new ATOM 490 N ASP A 513 6.216 -2.562 7.236 1.00 4.30 N ATOM 491 CA ASP A 513 5.561 -1.260 7.183 1.00 41.13 C ATOM 492 C ASP A 513 4.054 -1.402 7.375 1.00 44.32 C ATOM 493 O ASP A 513 3.353 -0.416 7.606 1.00 61.40 O ATOM 494 CB ASP A 513 5.855 -0.571 5.849 1.00 61.51 C ATOM 495 CG ASP A 513 5.888 0.939 5.972 1.00 1.21 C ATOM 496 OD1 ASP A 513 4.803 1.550 6.063 1.00 2.43 O ATOM 497 OD2 ASP A 513 6.999 1.510 5.976 1.00 11.44 O ATOM 0 H ASP A 513 6.294 -3.032 6.334 1.00 4.30 H new ATOM 0 HA ASP A 513 5.957 -0.648 7.994 1.00 41.13 H new ATOM 0 HB2 ASP A 513 6.813 -0.922 5.465 1.00 61.51 H new ATOM 0 HB3 ASP A 513 5.096 -0.857 5.121 1.00 61.51 H new ATOM 502 N ILE A 514 3.564 -2.633 7.277 1.00 51.44 N ATOM 503 CA ILE A 514 2.141 -2.903 7.440 1.00 52.44 C ATOM 504 C ILE A 514 1.608 -2.284 8.728 1.00 60.33 C ATOM 505 O ILE A 514 2.293 -2.268 9.750 1.00 21.23 O ATOM 506 CB ILE A 514 1.853 -4.415 7.452 1.00 34.41 C ATOM 507 CG1 ILE A 514 2.331 -5.059 6.149 1.00 3.30 C ATOM 508 CG2 ILE A 514 0.367 -4.670 7.660 1.00 2.13 C ATOM 509 CD1 ILE A 514 2.599 -6.543 6.270 1.00 14.33 C ATOM 0 H ILE A 514 4.131 -3.459 7.086 1.00 51.44 H new ATOM 0 HA ILE A 514 1.634 -2.452 6.587 1.00 52.44 H new ATOM 0 HB ILE A 514 2.399 -4.866 8.280 1.00 34.41 H new ATOM 0 HG12 ILE A 514 1.580 -4.896 5.376 1.00 3.30 H new ATOM 0 HG13 ILE A 514 3.242 -4.559 5.819 1.00 3.30 H new ATOM 0 HG21 ILE A 514 0.179 -5.744 7.666 1.00 2.13 H new ATOM 0 HG22 ILE A 514 0.054 -4.242 8.612 1.00 2.13 H new ATOM 0 HG23 ILE A 514 -0.198 -4.208 6.851 1.00 2.13 H new ATOM 0 HD11 ILE A 514 2.934 -6.932 5.308 1.00 14.33 H new ATOM 0 HD12 ILE A 514 3.372 -6.713 7.020 1.00 14.33 H new ATOM 0 HD13 ILE A 514 1.684 -7.055 6.569 1.00 14.33 H new ATOM 521 N SER A 515 0.381 -1.777 8.671 1.00 74.52 N ATOM 522 CA SER A 515 -0.244 -1.156 9.833 1.00 54.05 C ATOM 523 C SER A 515 -1.472 -1.946 10.277 1.00 44.01 C ATOM 524 O SER A 515 -1.978 -2.793 9.541 1.00 11.02 O ATOM 525 CB SER A 515 -0.641 0.287 9.514 1.00 5.00 C ATOM 526 OG SER A 515 -0.536 1.110 10.663 1.00 50.01 O ATOM 0 H SER A 515 -0.200 -1.784 7.833 1.00 74.52 H new ATOM 0 HA SER A 515 0.480 -1.155 10.647 1.00 54.05 H new ATOM 0 HB2 SER A 515 -0.000 0.677 8.723 1.00 5.00 H new ATOM 0 HB3 SER A 515 -1.664 0.312 9.137 1.00 5.00 H new ATOM 0 HG SER A 515 -0.793 2.027 10.433 1.00 50.01 H new ATOM 532 N SER A 516 -1.944 -1.662 11.486 1.00 14.03 N ATOM 533 CA SER A 516 -3.110 -2.348 12.032 1.00 42.21 C ATOM 534 C SER A 516 -4.351 -2.061 11.193 1.00 53.32 C ATOM 535 O SER A 516 -5.303 -2.842 11.185 1.00 0.42 O ATOM 536 CB SER A 516 -3.349 -1.918 13.481 1.00 60.24 C ATOM 537 OG SER A 516 -2.385 -2.490 14.348 1.00 41.32 O ATOM 0 H SER A 516 -1.538 -0.962 12.107 1.00 14.03 H new ATOM 0 HA SER A 516 -2.915 -3.420 12.006 1.00 42.21 H new ATOM 0 HB2 SER A 516 -3.308 -0.831 13.553 1.00 60.24 H new ATOM 0 HB3 SER A 516 -4.349 -2.220 13.793 1.00 60.24 H new ATOM 0 HG SER A 516 -2.558 -2.199 15.268 1.00 41.32 H new ATOM 543 N ARG A 517 -4.333 -0.935 10.487 1.00 14.53 N ATOM 544 CA ARG A 517 -5.457 -0.542 9.646 1.00 73.45 C ATOM 545 C ARG A 517 -5.258 -1.026 8.212 1.00 24.01 C ATOM 546 O ARG A 517 -6.217 -1.383 7.527 1.00 4.13 O ATOM 547 CB ARG A 517 -5.629 0.978 9.663 1.00 71.40 C ATOM 548 CG ARG A 517 -4.359 1.738 9.319 1.00 40.12 C ATOM 549 CD ARG A 517 -4.628 3.225 9.152 1.00 11.50 C ATOM 550 NE ARG A 517 -5.335 3.786 10.301 1.00 61.04 N ATOM 551 CZ ARG A 517 -6.013 4.928 10.261 1.00 61.43 C ATOM 552 NH1 ARG A 517 -6.076 5.626 9.135 1.00 1.05 N ATOM 553 NH2 ARG A 517 -6.630 5.372 11.348 1.00 51.42 N ATOM 0 H ARG A 517 -3.552 -0.279 10.481 1.00 14.53 H new ATOM 0 HA ARG A 517 -6.358 -1.007 10.047 1.00 73.45 H new ATOM 0 HB2 ARG A 517 -6.411 1.255 8.956 1.00 71.40 H new ATOM 0 HB3 ARG A 517 -5.970 1.286 10.652 1.00 71.40 H new ATOM 0 HG2 ARG A 517 -3.619 1.587 10.105 1.00 40.12 H new ATOM 0 HG3 ARG A 517 -3.933 1.339 8.399 1.00 40.12 H new ATOM 0 HD2 ARG A 517 -3.683 3.751 9.015 1.00 11.50 H new ATOM 0 HD3 ARG A 517 -5.217 3.388 8.249 1.00 11.50 H new ATOM 0 HE ARG A 517 -5.307 3.273 11.182 1.00 61.04 H new ATOM 0 HH11 ARG A 517 -5.603 5.286 8.297 1.00 1.05 H new ATOM 0 HH12 ARG A 517 -6.597 6.502 9.107 1.00 1.05 H new ATOM 0 HH21 ARG A 517 -6.584 4.837 12.215 1.00 51.42 H new ATOM 0 HH22 ARG A 517 -7.150 6.249 11.317 1.00 51.42 H new ATOM 567 N TYR A 518 -4.007 -1.034 7.765 1.00 22.41 N ATOM 568 CA TYR A 518 -3.682 -1.471 6.413 1.00 65.15 C ATOM 569 C TYR A 518 -4.167 -2.897 6.169 1.00 50.23 C ATOM 570 O TYR A 518 -4.692 -3.211 5.100 1.00 24.30 O ATOM 571 CB TYR A 518 -2.173 -1.387 6.176 1.00 43.11 C ATOM 572 CG TYR A 518 -1.799 -0.677 4.894 1.00 15.12 C ATOM 573 CD1 TYR A 518 -0.984 -1.289 3.950 1.00 22.03 C ATOM 574 CD2 TYR A 518 -2.261 0.606 4.627 1.00 33.13 C ATOM 575 CE1 TYR A 518 -0.640 -0.644 2.778 1.00 25.10 C ATOM 576 CE2 TYR A 518 -1.923 1.258 3.457 1.00 34.22 C ATOM 577 CZ TYR A 518 -1.112 0.629 2.536 1.00 72.21 C ATOM 578 OH TYR A 518 -0.772 1.275 1.370 1.00 51.42 O ATOM 0 H TYR A 518 -3.202 -0.743 8.319 1.00 22.41 H new ATOM 0 HA TYR A 518 -4.191 -0.809 5.713 1.00 65.15 H new ATOM 0 HB2 TYR A 518 -1.710 -0.869 7.016 1.00 43.11 H new ATOM 0 HB3 TYR A 518 -1.760 -2.396 6.156 1.00 43.11 H new ATOM 0 HD1 TYR A 518 -0.613 -2.286 4.136 1.00 22.03 H new ATOM 0 HD2 TYR A 518 -2.895 1.102 5.347 1.00 33.13 H new ATOM 0 HE1 TYR A 518 -0.005 -1.134 2.055 1.00 25.10 H new ATOM 0 HE2 TYR A 518 -2.292 2.255 3.265 1.00 34.22 H new ATOM 0 HH TYR A 518 -1.188 2.162 1.355 1.00 51.42 H new ATOM 588 N ILE A 519 -3.989 -3.754 7.168 1.00 64.42 N ATOM 589 CA ILE A 519 -4.410 -5.146 7.064 1.00 45.03 C ATOM 590 C ILE A 519 -5.876 -5.248 6.659 1.00 52.22 C ATOM 591 O ILE A 519 -6.702 -4.433 7.068 1.00 31.34 O ATOM 592 CB ILE A 519 -4.202 -5.898 8.392 1.00 42.14 C ATOM 593 CG1 ILE A 519 -2.730 -5.846 8.808 1.00 54.52 C ATOM 594 CG2 ILE A 519 -4.671 -7.340 8.263 1.00 44.50 C ATOM 595 CD1 ILE A 519 -2.528 -5.542 10.276 1.00 70.41 C ATOM 0 H ILE A 519 -3.556 -3.509 8.059 1.00 64.42 H new ATOM 0 HA ILE A 519 -3.790 -5.606 6.295 1.00 45.03 H new ATOM 0 HB ILE A 519 -4.796 -5.411 9.165 1.00 42.14 H new ATOM 0 HG12 ILE A 519 -2.261 -6.802 8.575 1.00 54.52 H new ATOM 0 HG13 ILE A 519 -2.220 -5.088 8.214 1.00 54.52 H new ATOM 0 HG21 ILE A 519 -4.518 -7.859 9.209 1.00 44.50 H new ATOM 0 HG22 ILE A 519 -5.731 -7.357 8.008 1.00 44.50 H new ATOM 0 HG23 ILE A 519 -4.101 -7.839 7.479 1.00 44.50 H new ATOM 0 HD11 ILE A 519 -1.461 -5.521 10.500 1.00 70.41 H new ATOM 0 HD12 ILE A 519 -2.967 -4.572 10.511 1.00 70.41 H new ATOM 0 HD13 ILE A 519 -3.009 -6.314 10.877 1.00 70.41 H new ATOM 607 N GLY A 520 -6.193 -6.256 5.852 1.00 33.21 N ATOM 608 CA GLY A 520 -7.561 -6.448 5.406 1.00 11.44 C ATOM 609 C GLY A 520 -8.461 -6.973 6.507 1.00 73.01 C ATOM 610 O GLY A 520 -8.626 -6.331 7.543 1.00 3.40 O ATOM 0 H GLY A 520 -5.527 -6.943 5.499 1.00 33.21 H new ATOM 0 HA2 GLY A 520 -7.956 -5.501 5.038 1.00 11.44 H new ATOM 0 HA3 GLY A 520 -7.572 -7.145 4.568 1.00 11.44 H new ATOM 614 N ASN A 521 -9.047 -8.144 6.281 1.00 33.42 N ATOM 615 CA ASN A 521 -9.938 -8.755 7.262 1.00 50.15 C ATOM 616 C ASN A 521 -9.175 -9.720 8.163 1.00 24.13 C ATOM 617 O ASN A 521 -8.497 -10.629 7.683 1.00 25.04 O ATOM 618 CB ASN A 521 -11.078 -9.492 6.556 1.00 32.01 C ATOM 619 CG ASN A 521 -12.174 -8.552 6.092 1.00 35.43 C ATOM 620 OD1 ASN A 521 -13.359 -8.805 6.315 1.00 42.24 O ATOM 621 ND2 ASN A 521 -11.783 -7.462 5.444 1.00 54.34 N ATOM 0 H ASN A 521 -8.921 -8.689 5.428 1.00 33.42 H new ATOM 0 HA ASN A 521 -10.355 -7.961 7.881 1.00 50.15 H new ATOM 0 HB2 ASN A 521 -10.680 -10.034 5.698 1.00 32.01 H new ATOM 0 HB3 ASN A 521 -11.502 -10.234 7.233 1.00 32.01 H new ATOM 0 HD21 ASN A 521 -12.475 -6.793 5.108 1.00 54.34 H new ATOM 0 HD22 ASN A 521 -10.790 -7.294 5.282 1.00 54.34 H new ATOM 628 N ILE A 522 -9.291 -9.516 9.471 1.00 24.32 N ATOM 629 CA ILE A 522 -8.613 -10.369 10.440 1.00 71.33 C ATOM 630 C ILE A 522 -9.612 -11.036 11.379 1.00 14.32 C ATOM 631 O ILE A 522 -10.431 -10.366 12.010 1.00 63.11 O ATOM 632 CB ILE A 522 -7.593 -9.573 11.275 1.00 40.13 C ATOM 633 CG1 ILE A 522 -6.709 -8.720 10.362 1.00 22.42 C ATOM 634 CG2 ILE A 522 -6.744 -10.516 12.114 1.00 63.14 C ATOM 635 CD1 ILE A 522 -6.940 -7.233 10.514 1.00 31.33 C ATOM 0 H ILE A 522 -9.848 -8.768 9.884 1.00 24.32 H new ATOM 0 HA ILE A 522 -8.085 -11.135 9.871 1.00 71.33 H new ATOM 0 HB ILE A 522 -8.135 -8.909 11.948 1.00 40.13 H new ATOM 0 HG12 ILE A 522 -5.663 -8.940 10.574 1.00 22.42 H new ATOM 0 HG13 ILE A 522 -6.891 -9.004 9.325 1.00 22.42 H new ATOM 0 HG21 ILE A 522 -6.028 -9.938 12.698 1.00 63.14 H new ATOM 0 HG22 ILE A 522 -7.387 -11.084 12.786 1.00 63.14 H new ATOM 0 HG23 ILE A 522 -6.208 -11.203 11.459 1.00 63.14 H new ATOM 0 HD11 ILE A 522 -6.280 -6.691 9.837 1.00 31.33 H new ATOM 0 HD12 ILE A 522 -7.977 -6.999 10.274 1.00 31.33 H new ATOM 0 HD13 ILE A 522 -6.730 -6.935 11.541 1.00 31.33 H new ATOM 647 N LYS A 523 -9.539 -12.359 11.469 1.00 34.33 N ATOM 648 CA LYS A 523 -10.435 -13.118 12.334 1.00 22.41 C ATOM 649 C LYS A 523 -9.662 -13.778 13.472 1.00 74.52 C ATOM 650 O LYS A 523 -8.532 -14.233 13.287 1.00 14.42 O ATOM 651 CB LYS A 523 -11.179 -14.182 11.524 1.00 20.41 C ATOM 652 CG LYS A 523 -12.264 -14.897 12.310 1.00 14.25 C ATOM 653 CD LYS A 523 -12.633 -16.225 11.672 1.00 74.25 C ATOM 654 CE LYS A 523 -14.106 -16.550 11.871 1.00 41.40 C ATOM 655 NZ LYS A 523 -14.921 -16.181 10.681 1.00 73.45 N ATOM 0 H LYS A 523 -8.868 -12.929 10.953 1.00 34.33 H new ATOM 0 HA LYS A 523 -11.159 -12.425 12.763 1.00 22.41 H new ATOM 0 HB2 LYS A 523 -11.626 -13.713 10.648 1.00 20.41 H new ATOM 0 HB3 LYS A 523 -10.461 -14.917 11.160 1.00 20.41 H new ATOM 0 HG2 LYS A 523 -11.923 -15.066 13.331 1.00 14.25 H new ATOM 0 HG3 LYS A 523 -13.149 -14.263 12.370 1.00 14.25 H new ATOM 0 HD2 LYS A 523 -12.407 -16.193 10.606 1.00 74.25 H new ATOM 0 HD3 LYS A 523 -12.023 -17.019 12.103 1.00 74.25 H new ATOM 0 HE2 LYS A 523 -14.219 -17.615 12.072 1.00 41.40 H new ATOM 0 HE3 LYS A 523 -14.480 -16.019 12.746 1.00 41.40 H new ATOM 0 HZ1 LYS A 523 -15.918 -16.418 10.856 1.00 73.45 H new ATOM 0 HZ2 LYS A 523 -14.834 -15.160 10.504 1.00 73.45 H new ATOM 0 HZ3 LYS A 523 -14.581 -16.707 9.851 1.00 73.45 H new ATOM 669 N LEU A 524 -10.279 -13.830 14.647 1.00 2.34 N ATOM 670 CA LEU A 524 -9.650 -14.436 15.815 1.00 25.25 C ATOM 671 C LEU A 524 -10.556 -15.495 16.434 1.00 33.23 C ATOM 672 O LEU A 524 -11.438 -15.182 17.234 1.00 14.20 O ATOM 673 CB LEU A 524 -9.316 -13.364 16.854 1.00 11.11 C ATOM 674 CG LEU A 524 -8.332 -13.774 17.950 1.00 32.14 C ATOM 675 CD1 LEU A 524 -9.005 -14.701 18.952 1.00 44.53 C ATOM 676 CD2 LEU A 524 -7.106 -14.441 17.344 1.00 1.22 C ATOM 0 H LEU A 524 -11.214 -13.460 14.816 1.00 2.34 H new ATOM 0 HA LEU A 524 -8.728 -14.918 15.490 1.00 25.25 H new ATOM 0 HB2 LEU A 524 -8.909 -12.497 16.334 1.00 11.11 H new ATOM 0 HB3 LEU A 524 -10.244 -13.044 17.328 1.00 11.11 H new ATOM 0 HG LEU A 524 -8.009 -12.876 18.476 1.00 32.14 H new ATOM 0 HD11 LEU A 524 -8.290 -14.982 19.725 1.00 44.53 H new ATOM 0 HD12 LEU A 524 -9.851 -14.189 19.410 1.00 44.53 H new ATOM 0 HD13 LEU A 524 -9.357 -15.597 18.440 1.00 44.53 H new ATOM 0 HD21 LEU A 524 -6.417 -14.726 18.139 1.00 1.22 H new ATOM 0 HD22 LEU A 524 -7.411 -15.330 16.792 1.00 1.22 H new ATOM 0 HD23 LEU A 524 -6.611 -13.745 16.666 1.00 1.22 H new ATOM 688 N PHE A 525 -10.332 -16.751 16.060 1.00 0.54 N ATOM 689 CA PHE A 525 -11.128 -17.857 16.580 1.00 41.34 C ATOM 690 C PHE A 525 -10.493 -18.439 17.839 1.00 71.52 C ATOM 691 O PHE A 525 -9.584 -17.847 18.420 1.00 71.34 O ATOM 692 CB PHE A 525 -11.277 -18.948 15.518 1.00 64.23 C ATOM 693 CG PHE A 525 -12.702 -19.346 15.263 1.00 73.32 C ATOM 694 CD1 PHE A 525 -13.093 -20.672 15.359 1.00 62.34 C ATOM 695 CD2 PHE A 525 -13.652 -18.395 14.928 1.00 0.31 C ATOM 696 CE1 PHE A 525 -14.404 -21.041 15.124 1.00 61.32 C ATOM 697 CE2 PHE A 525 -14.965 -18.758 14.693 1.00 42.35 C ATOM 698 CZ PHE A 525 -15.341 -20.083 14.792 1.00 52.34 C ATOM 0 H PHE A 525 -9.606 -17.028 15.399 1.00 0.54 H new ATOM 0 HA PHE A 525 -12.115 -17.473 16.837 1.00 41.34 H new ATOM 0 HB2 PHE A 525 -10.833 -18.599 14.586 1.00 64.23 H new ATOM 0 HB3 PHE A 525 -10.713 -19.827 15.830 1.00 64.23 H new ATOM 0 HD1 PHE A 525 -12.365 -21.426 15.620 1.00 62.34 H new ATOM 0 HD2 PHE A 525 -13.363 -17.357 14.849 1.00 0.31 H new ATOM 0 HE1 PHE A 525 -14.695 -22.078 15.200 1.00 61.32 H new ATOM 0 HE2 PHE A 525 -15.696 -18.006 14.432 1.00 42.35 H new ATOM 0 HZ PHE A 525 -16.366 -20.369 14.610 1.00 52.34 H new ATOM 708 N ALA A 526 -10.980 -19.604 18.255 1.00 61.00 N ATOM 709 CA ALA A 526 -10.460 -20.268 19.444 1.00 71.22 C ATOM 710 C ALA A 526 -9.110 -20.919 19.163 1.00 71.21 C ATOM 711 O ALA A 526 -8.179 -20.808 19.960 1.00 22.22 O ATOM 712 CB ALA A 526 -11.454 -21.305 19.946 1.00 20.11 C ATOM 0 H ALA A 526 -11.733 -20.107 17.786 1.00 61.00 H new ATOM 0 HA ALA A 526 -10.316 -19.514 20.218 1.00 71.22 H new ATOM 0 HB1 ALA A 526 -11.053 -21.793 20.834 1.00 20.11 H new ATOM 0 HB2 ALA A 526 -12.396 -20.816 20.195 1.00 20.11 H new ATOM 0 HB3 ALA A 526 -11.626 -22.050 19.169 1.00 20.11 H new ATOM 718 N SER A 527 -9.011 -21.599 18.025 1.00 35.20 N ATOM 719 CA SER A 527 -7.776 -22.272 17.641 1.00 31.23 C ATOM 720 C SER A 527 -7.390 -21.923 16.207 1.00 10.02 C ATOM 721 O SER A 527 -6.635 -22.650 15.561 1.00 50.14 O ATOM 722 CB SER A 527 -7.930 -23.787 17.786 1.00 61.55 C ATOM 723 OG SER A 527 -7.614 -24.209 19.101 1.00 60.20 O ATOM 0 H SER A 527 -9.772 -21.698 17.353 1.00 35.20 H new ATOM 0 HA SER A 527 -6.983 -21.929 18.305 1.00 31.23 H new ATOM 0 HB2 SER A 527 -8.953 -24.076 17.544 1.00 61.55 H new ATOM 0 HB3 SER A 527 -7.279 -24.292 17.073 1.00 61.55 H new ATOM 0 HG SER A 527 -7.722 -25.181 19.168 1.00 60.20 H new ATOM 729 N HIS A 528 -7.914 -20.805 15.716 1.00 40.44 N ATOM 730 CA HIS A 528 -7.625 -20.357 14.358 1.00 64.12 C ATOM 731 C HIS A 528 -7.750 -18.841 14.247 1.00 5.53 C ATOM 732 O HIS A 528 -8.342 -18.192 15.110 1.00 25.32 O ATOM 733 CB HIS A 528 -8.570 -21.032 13.363 1.00 23.24 C ATOM 734 CG HIS A 528 -8.421 -22.522 13.312 1.00 45.42 C ATOM 735 ND1 HIS A 528 -7.609 -23.166 12.402 1.00 4.51 N ATOM 736 CD2 HIS A 528 -8.984 -23.494 14.066 1.00 71.45 C ATOM 737 CE1 HIS A 528 -7.680 -24.470 12.597 1.00 35.14 C ATOM 738 NE2 HIS A 528 -8.508 -24.696 13.602 1.00 73.15 N ATOM 0 H HIS A 528 -8.541 -20.192 16.238 1.00 40.44 H new ATOM 0 HA HIS A 528 -6.599 -20.638 14.121 1.00 64.12 H new ATOM 0 HB2 HIS A 528 -9.599 -20.787 13.628 1.00 23.24 H new ATOM 0 HB3 HIS A 528 -8.390 -20.623 12.369 1.00 23.24 H new ATOM 0 HD1 HIS A 528 -7.042 -22.707 11.689 1.00 4.51 H new ATOM 0 HD2 HIS A 528 -9.678 -23.351 14.881 1.00 71.45 H new ATOM 0 HE1 HIS A 528 -7.152 -25.223 12.032 1.00 35.14 H new ATOM 746 N SER A 529 -7.187 -18.281 13.180 1.00 34.45 N ATOM 747 CA SER A 529 -7.232 -16.841 12.960 1.00 41.33 C ATOM 748 C SER A 529 -6.880 -16.501 11.515 1.00 64.45 C ATOM 749 O SER A 529 -5.893 -16.998 10.970 1.00 3.41 O ATOM 750 CB SER A 529 -6.270 -16.128 13.912 1.00 51.51 C ATOM 751 OG SER A 529 -6.126 -16.846 15.125 1.00 75.43 O ATOM 0 H SER A 529 -6.695 -18.803 12.455 1.00 34.45 H new ATOM 0 HA SER A 529 -8.248 -16.500 13.158 1.00 41.33 H new ATOM 0 HB2 SER A 529 -5.297 -16.017 13.434 1.00 51.51 H new ATOM 0 HB3 SER A 529 -6.639 -15.124 14.122 1.00 51.51 H new ATOM 0 HG SER A 529 -5.539 -17.618 14.981 1.00 75.43 H new ATOM 757 N THR A 530 -7.694 -15.651 10.897 1.00 35.42 N ATOM 758 CA THR A 530 -7.471 -15.246 9.515 1.00 13.44 C ATOM 759 C THR A 530 -6.858 -13.852 9.444 1.00 63.02 C ATOM 760 O THR A 530 -6.852 -13.115 10.430 1.00 12.22 O ATOM 761 CB THR A 530 -8.783 -15.259 8.707 1.00 5.02 C ATOM 762 OG1 THR A 530 -9.599 -14.143 9.080 1.00 61.14 O ATOM 763 CG2 THR A 530 -9.548 -16.553 8.939 1.00 63.24 C ATOM 0 H THR A 530 -8.514 -15.229 11.332 1.00 35.42 H new ATOM 0 HA THR A 530 -6.779 -15.968 9.081 1.00 13.44 H new ATOM 0 HB THR A 530 -8.533 -15.188 7.648 1.00 5.02 H new ATOM 0 HG1 THR A 530 -10.430 -14.157 8.561 1.00 61.14 H new ATOM 0 HG21 THR A 530 -10.470 -16.539 8.359 1.00 63.24 H new ATOM 0 HG22 THR A 530 -8.935 -17.399 8.627 1.00 63.24 H new ATOM 0 HG23 THR A 530 -9.787 -16.649 9.998 1.00 63.24 H new ATOM 771 N ILE A 531 -6.343 -13.497 8.272 1.00 43.14 N ATOM 772 CA ILE A 531 -5.728 -12.190 8.072 1.00 33.21 C ATOM 773 C ILE A 531 -5.348 -11.979 6.611 1.00 53.15 C ATOM 774 O ILE A 531 -4.867 -12.896 5.946 1.00 43.41 O ATOM 775 CB ILE A 531 -4.473 -12.019 8.947 1.00 3.13 C ATOM 776 CG1 ILE A 531 -3.815 -10.665 8.674 1.00 2.20 C ATOM 777 CG2 ILE A 531 -3.490 -13.152 8.692 1.00 35.30 C ATOM 778 CD1 ILE A 531 -2.943 -10.176 9.810 1.00 72.33 C ATOM 0 H ILE A 531 -6.339 -14.096 7.446 1.00 43.14 H new ATOM 0 HA ILE A 531 -6.468 -11.445 8.363 1.00 33.21 H new ATOM 0 HB ILE A 531 -4.772 -12.053 9.995 1.00 3.13 H new ATOM 0 HG12 ILE A 531 -3.211 -10.739 7.770 1.00 2.20 H new ATOM 0 HG13 ILE A 531 -4.592 -9.926 8.479 1.00 2.20 H new ATOM 0 HG21 ILE A 531 -2.608 -13.016 9.318 1.00 35.30 H new ATOM 0 HG22 ILE A 531 -3.962 -14.105 8.932 1.00 35.30 H new ATOM 0 HG23 ILE A 531 -3.194 -13.148 7.643 1.00 35.30 H new ATOM 0 HD11 ILE A 531 -2.509 -9.211 9.547 1.00 72.33 H new ATOM 0 HD12 ILE A 531 -3.546 -10.069 10.712 1.00 72.33 H new ATOM 0 HD13 ILE A 531 -2.144 -10.895 9.991 1.00 72.33 H new ATOM 790 N GLU A 532 -5.567 -10.764 6.118 1.00 42.34 N ATOM 791 CA GLU A 532 -5.246 -10.432 4.734 1.00 22.24 C ATOM 792 C GLU A 532 -4.207 -9.317 4.669 1.00 4.54 C ATOM 793 O GLU A 532 -4.383 -8.253 5.265 1.00 24.15 O ATOM 794 CB GLU A 532 -6.509 -10.012 3.981 1.00 54.40 C ATOM 795 CG GLU A 532 -6.285 -9.785 2.495 1.00 34.33 C ATOM 796 CD GLU A 532 -7.515 -10.099 1.665 1.00 12.34 C ATOM 797 OE1 GLU A 532 -7.572 -11.202 1.084 1.00 70.52 O ATOM 798 OE2 GLU A 532 -8.420 -9.241 1.597 1.00 10.03 O ATOM 0 H GLU A 532 -5.965 -9.994 6.655 1.00 42.34 H new ATOM 0 HA GLU A 532 -4.829 -11.321 4.261 1.00 22.24 H new ATOM 0 HB2 GLU A 532 -7.272 -10.780 4.112 1.00 54.40 H new ATOM 0 HB3 GLU A 532 -6.899 -9.096 4.425 1.00 54.40 H new ATOM 0 HG2 GLU A 532 -5.995 -8.747 2.329 1.00 34.33 H new ATOM 0 HG3 GLU A 532 -5.455 -10.406 2.157 1.00 34.33 H new ATOM 805 N LEU A 533 -3.124 -9.567 3.942 1.00 5.12 N ATOM 806 CA LEU A 533 -2.054 -8.585 3.799 1.00 55.43 C ATOM 807 C LEU A 533 -2.033 -8.005 2.388 1.00 73.01 C ATOM 808 O LEU A 533 -2.096 -8.727 1.393 1.00 73.13 O ATOM 809 CB LEU A 533 -0.702 -9.223 4.120 1.00 11.15 C ATOM 810 CG LEU A 533 -0.055 -8.796 5.438 1.00 2.33 C ATOM 811 CD1 LEU A 533 -1.009 -9.024 6.600 1.00 10.23 C ATOM 812 CD2 LEU A 533 1.249 -9.548 5.661 1.00 70.23 C ATOM 0 H LEU A 533 -2.963 -10.441 3.442 1.00 5.12 H new ATOM 0 HA LEU A 533 -2.242 -7.775 4.503 1.00 55.43 H new ATOM 0 HB2 LEU A 533 -0.828 -10.306 4.134 1.00 11.15 H new ATOM 0 HB3 LEU A 533 -0.012 -8.993 3.308 1.00 11.15 H new ATOM 0 HG LEU A 533 0.168 -7.731 5.382 1.00 2.33 H new ATOM 0 HD11 LEU A 533 -0.531 -8.714 7.529 1.00 10.23 H new ATOM 0 HD12 LEU A 533 -1.916 -8.439 6.446 1.00 10.23 H new ATOM 0 HD13 LEU A 533 -1.265 -10.082 6.659 1.00 10.23 H new ATOM 0 HD21 LEU A 533 1.695 -9.231 6.604 1.00 70.23 H new ATOM 0 HD22 LEU A 533 1.050 -10.619 5.696 1.00 70.23 H new ATOM 0 HD23 LEU A 533 1.937 -9.333 4.844 1.00 70.23 H new ATOM 824 N PRO A 534 -1.940 -6.670 2.298 1.00 72.03 N ATOM 825 CA PRO A 534 -1.905 -5.964 1.014 1.00 55.14 C ATOM 826 C PRO A 534 -0.605 -6.204 0.255 1.00 4.21 C ATOM 827 O PRO A 534 -0.455 -5.780 -0.891 1.00 44.11 O ATOM 828 CB PRO A 534 -2.027 -4.492 1.415 1.00 43.31 C ATOM 829 CG PRO A 534 -1.498 -4.434 2.807 1.00 52.34 C ATOM 830 CD PRO A 534 -1.861 -5.747 3.442 1.00 32.15 C ATOM 0 HA PRO A 534 -2.693 -6.303 0.341 1.00 55.14 H new ATOM 0 HB2 PRO A 534 -1.453 -3.851 0.746 1.00 43.31 H new ATOM 0 HB3 PRO A 534 -3.062 -4.154 1.370 1.00 43.31 H new ATOM 0 HG2 PRO A 534 -0.418 -4.285 2.808 1.00 52.34 H new ATOM 0 HG3 PRO A 534 -1.935 -3.600 3.356 1.00 52.34 H new ATOM 0 HD2 PRO A 534 -1.109 -6.066 4.164 1.00 32.15 H new ATOM 0 HD3 PRO A 534 -2.810 -5.687 3.976 1.00 32.15 H new ATOM 838 N LYS A 535 0.334 -6.887 0.901 1.00 3.33 N ATOM 839 CA LYS A 535 1.623 -7.185 0.288 1.00 72.32 C ATOM 840 C LYS A 535 1.441 -7.706 -1.134 1.00 53.14 C ATOM 841 O LYS A 535 0.473 -8.406 -1.430 1.00 40.54 O ATOM 842 CB LYS A 535 2.383 -8.215 1.126 1.00 64.42 C ATOM 843 CG LYS A 535 2.704 -7.739 2.532 1.00 55.30 C ATOM 844 CD LYS A 535 3.595 -6.508 2.514 1.00 21.53 C ATOM 845 CE LYS A 535 4.945 -6.808 1.881 1.00 4.23 C ATOM 846 NZ LYS A 535 5.891 -5.667 2.027 1.00 43.12 N ATOM 0 H LYS A 535 0.226 -7.245 1.850 1.00 3.33 H new ATOM 0 HA LYS A 535 2.200 -6.261 0.247 1.00 72.32 H new ATOM 0 HB2 LYS A 535 1.792 -9.129 1.187 1.00 64.42 H new ATOM 0 HB3 LYS A 535 3.312 -8.470 0.617 1.00 64.42 H new ATOM 0 HG2 LYS A 535 1.778 -7.511 3.060 1.00 55.30 H new ATOM 0 HG3 LYS A 535 3.198 -8.539 3.084 1.00 55.30 H new ATOM 0 HD2 LYS A 535 3.102 -5.708 1.961 1.00 21.53 H new ATOM 0 HD3 LYS A 535 3.741 -6.148 3.532 1.00 21.53 H new ATOM 0 HE2 LYS A 535 5.374 -7.697 2.344 1.00 4.23 H new ATOM 0 HE3 LYS A 535 4.808 -7.034 0.823 1.00 4.23 H new ATOM 0 HZ1 LYS A 535 6.799 -5.910 1.583 1.00 43.12 H new ATOM 0 HZ2 LYS A 535 5.494 -4.825 1.564 1.00 43.12 H new ATOM 0 HZ3 LYS A 535 6.042 -5.468 3.037 1.00 43.12 H new ATOM 860 N GLY A 536 2.379 -7.361 -2.011 1.00 51.41 N ATOM 861 CA GLY A 536 2.304 -7.803 -3.391 1.00 75.21 C ATOM 862 C GLY A 536 3.567 -8.507 -3.844 1.00 44.12 C ATOM 863 O GLY A 536 4.038 -8.293 -4.961 1.00 21.31 O ATOM 0 H GLY A 536 3.190 -6.783 -1.790 1.00 51.41 H new ATOM 0 HA2 GLY A 536 1.455 -8.476 -3.508 1.00 75.21 H new ATOM 0 HA3 GLY A 536 2.120 -6.943 -4.035 1.00 75.21 H new ATOM 867 N MET A 537 4.119 -9.347 -2.975 1.00 20.22 N ATOM 868 CA MET A 537 5.337 -10.084 -3.292 1.00 72.01 C ATOM 869 C MET A 537 5.703 -11.041 -2.162 1.00 44.20 C ATOM 870 O MET A 537 6.711 -10.871 -1.475 1.00 71.10 O ATOM 871 CB MET A 537 6.492 -9.115 -3.550 1.00 41.05 C ATOM 872 CG MET A 537 7.535 -9.656 -4.515 1.00 52.12 C ATOM 873 SD MET A 537 8.469 -8.348 -5.334 1.00 34.45 S ATOM 874 CE MET A 537 9.801 -8.100 -4.162 1.00 53.13 C ATOM 0 H MET A 537 3.742 -9.534 -2.046 1.00 20.22 H new ATOM 0 HA MET A 537 5.154 -10.668 -4.194 1.00 72.01 H new ATOM 0 HB2 MET A 537 6.091 -8.182 -3.947 1.00 41.05 H new ATOM 0 HB3 MET A 537 6.975 -8.877 -2.602 1.00 41.05 H new ATOM 0 HG2 MET A 537 8.224 -10.304 -3.973 1.00 52.12 H new ATOM 0 HG3 MET A 537 7.043 -10.272 -5.268 1.00 52.12 H new ATOM 0 HE1 MET A 537 10.467 -7.318 -4.528 1.00 53.13 H new ATOM 0 HE2 MET A 537 9.387 -7.803 -3.198 1.00 53.13 H new ATOM 0 HE3 MET A 537 10.361 -9.028 -4.046 1.00 53.13 H new ATOM 884 N PRO A 538 4.868 -12.071 -1.963 1.00 14.21 N ATOM 885 CA PRO A 538 5.084 -13.075 -0.917 1.00 12.32 C ATOM 886 C PRO A 538 6.278 -13.974 -1.215 1.00 23.53 C ATOM 887 O PRO A 538 6.920 -13.846 -2.256 1.00 45.50 O ATOM 888 CB PRO A 538 3.786 -13.887 -0.931 1.00 2.42 C ATOM 889 CG PRO A 538 3.249 -13.719 -2.310 1.00 40.51 C ATOM 890 CD PRO A 538 3.648 -12.335 -2.744 1.00 34.00 C ATOM 0 HA PRO A 538 5.306 -12.618 0.047 1.00 12.32 H new ATOM 0 HB2 PRO A 538 3.973 -14.937 -0.704 1.00 2.42 H new ATOM 0 HB3 PRO A 538 3.082 -13.520 -0.184 1.00 2.42 H new ATOM 0 HG2 PRO A 538 3.659 -14.472 -2.983 1.00 40.51 H new ATOM 0 HG3 PRO A 538 2.165 -13.835 -2.324 1.00 40.51 H new ATOM 0 HD2 PRO A 538 3.840 -12.290 -3.816 1.00 34.00 H new ATOM 0 HD3 PRO A 538 2.867 -11.606 -2.529 1.00 34.00 H new ATOM 898 N GLY A 539 6.571 -14.887 -0.293 1.00 32.02 N ATOM 899 CA GLY A 539 7.688 -15.795 -0.476 1.00 72.12 C ATOM 900 C GLY A 539 8.954 -15.299 0.192 1.00 3.25 C ATOM 901 O GLY A 539 10.036 -15.838 -0.036 1.00 63.41 O ATOM 0 H GLY A 539 6.054 -15.014 0.577 1.00 32.02 H new ATOM 0 HA2 GLY A 539 7.427 -16.773 -0.072 1.00 72.12 H new ATOM 0 HA3 GLY A 539 7.872 -15.929 -1.542 1.00 72.12 H new ATOM 905 N GLU A 540 8.820 -14.267 1.020 1.00 53.34 N ATOM 906 CA GLU A 540 9.964 -13.697 1.721 1.00 11.50 C ATOM 907 C GLU A 540 10.316 -14.526 2.953 1.00 55.02 C ATOM 908 O GLU A 540 11.435 -15.022 3.082 1.00 34.31 O ATOM 909 CB GLU A 540 9.670 -12.252 2.132 1.00 23.21 C ATOM 910 CG GLU A 540 8.999 -11.434 1.042 1.00 12.32 C ATOM 911 CD GLU A 540 9.847 -11.322 -0.210 1.00 32.30 C ATOM 912 OE1 GLU A 540 10.463 -10.256 -0.417 1.00 25.53 O ATOM 913 OE2 GLU A 540 9.894 -12.302 -0.983 1.00 74.11 O ATOM 0 H GLU A 540 7.931 -13.809 1.221 1.00 53.34 H new ATOM 0 HA GLU A 540 10.816 -13.708 1.042 1.00 11.50 H new ATOM 0 HB2 GLU A 540 9.032 -12.257 3.016 1.00 23.21 H new ATOM 0 HB3 GLU A 540 10.604 -11.767 2.416 1.00 23.21 H new ATOM 0 HG2 GLU A 540 8.042 -11.890 0.788 1.00 12.32 H new ATOM 0 HG3 GLU A 540 8.786 -10.435 1.422 1.00 12.32 H new ATOM 920 N VAL A 541 9.351 -14.671 3.856 1.00 22.31 N ATOM 921 CA VAL A 541 9.557 -15.440 5.077 1.00 24.45 C ATOM 922 C VAL A 541 9.359 -16.931 4.828 1.00 22.31 C ATOM 923 O VAL A 541 10.008 -17.769 5.457 1.00 51.24 O ATOM 924 CB VAL A 541 8.600 -14.986 6.195 1.00 32.21 C ATOM 925 CG1 VAL A 541 8.853 -15.777 7.470 1.00 70.15 C ATOM 926 CG2 VAL A 541 8.745 -13.493 6.447 1.00 64.03 C ATOM 0 H VAL A 541 8.419 -14.266 3.765 1.00 22.31 H new ATOM 0 HA VAL A 541 10.584 -15.261 5.394 1.00 24.45 H new ATOM 0 HB VAL A 541 7.577 -15.179 5.873 1.00 32.21 H new ATOM 0 HG11 VAL A 541 8.167 -15.442 8.248 1.00 70.15 H new ATOM 0 HG12 VAL A 541 8.693 -16.838 7.278 1.00 70.15 H new ATOM 0 HG13 VAL A 541 9.880 -15.619 7.799 1.00 70.15 H new ATOM 0 HG21 VAL A 541 8.061 -13.190 7.240 1.00 64.03 H new ATOM 0 HG22 VAL A 541 9.769 -13.272 6.747 1.00 64.03 H new ATOM 0 HG23 VAL A 541 8.508 -12.945 5.535 1.00 64.03 H new ATOM 936 N LEU A 542 8.459 -17.257 3.907 1.00 43.32 N ATOM 937 CA LEU A 542 8.175 -18.648 3.573 1.00 61.13 C ATOM 938 C LEU A 542 9.391 -19.315 2.937 1.00 11.31 C ATOM 939 O LEU A 542 9.518 -20.539 2.952 1.00 14.34 O ATOM 940 CB LEU A 542 6.979 -18.731 2.623 1.00 51.02 C ATOM 941 CG LEU A 542 5.708 -18.013 3.080 1.00 62.55 C ATOM 942 CD1 LEU A 542 4.710 -17.915 1.936 1.00 23.51 C ATOM 943 CD2 LEU A 542 5.089 -18.731 4.270 1.00 22.11 C ATOM 0 H LEU A 542 7.913 -16.577 3.378 1.00 43.32 H new ATOM 0 HA LEU A 542 7.936 -19.176 4.496 1.00 61.13 H new ATOM 0 HB2 LEU A 542 7.277 -18.320 1.658 1.00 51.02 H new ATOM 0 HB3 LEU A 542 6.741 -19.782 2.462 1.00 51.02 H new ATOM 0 HG LEU A 542 5.975 -17.003 3.389 1.00 62.55 H new ATOM 0 HD11 LEU A 542 3.812 -17.401 2.280 1.00 23.51 H new ATOM 0 HD12 LEU A 542 5.155 -17.357 1.112 1.00 23.51 H new ATOM 0 HD13 LEU A 542 4.447 -18.917 1.596 1.00 23.51 H new ATOM 0 HD21 LEU A 542 4.186 -18.206 4.582 1.00 22.11 H new ATOM 0 HD22 LEU A 542 4.836 -19.753 3.987 1.00 22.11 H new ATOM 0 HD23 LEU A 542 5.801 -18.749 5.095 1.00 22.11 H new ATOM 955 N GLN A 543 10.283 -18.501 2.381 1.00 14.22 N ATOM 956 CA GLN A 543 11.489 -19.013 1.742 1.00 40.51 C ATOM 957 C GLN A 543 12.580 -19.280 2.773 1.00 21.05 C ATOM 958 O GLN A 543 13.056 -20.408 2.911 1.00 12.41 O ATOM 959 CB GLN A 543 11.995 -18.021 0.692 1.00 30.53 C ATOM 960 CG GLN A 543 11.447 -18.279 -0.702 1.00 20.40 C ATOM 961 CD GLN A 543 12.277 -19.283 -1.479 1.00 14.24 C ATOM 962 OE1 GLN A 543 12.082 -20.493 -1.357 1.00 43.32 O ATOM 963 NE2 GLN A 543 13.208 -18.785 -2.283 1.00 42.31 N ATOM 0 H GLN A 543 10.193 -17.485 2.360 1.00 14.22 H new ATOM 0 HA GLN A 543 11.239 -19.954 1.253 1.00 40.51 H new ATOM 0 HB2 GLN A 543 11.724 -17.011 0.999 1.00 30.53 H new ATOM 0 HB3 GLN A 543 13.084 -18.063 0.659 1.00 30.53 H new ATOM 0 HG2 GLN A 543 10.423 -18.643 -0.624 1.00 20.40 H new ATOM 0 HG3 GLN A 543 11.410 -17.339 -1.253 1.00 20.40 H new ATOM 0 HE21 GLN A 543 13.335 -17.775 -2.353 1.00 42.31 H new ATOM 0 HE22 GLN A 543 13.797 -19.412 -2.831 1.00 42.31 H new ATOM 972 N HIS A 544 12.973 -18.236 3.496 1.00 30.05 N ATOM 973 CA HIS A 544 14.008 -18.359 4.516 1.00 5.43 C ATOM 974 C HIS A 544 13.501 -19.157 5.713 1.00 15.02 C ATOM 975 O HIS A 544 14.094 -20.166 6.096 1.00 15.44 O ATOM 976 CB HIS A 544 14.472 -16.975 4.971 1.00 1.55 C ATOM 977 CG HIS A 544 15.883 -16.950 5.473 1.00 62.31 C ATOM 978 ND1 HIS A 544 16.274 -17.554 6.649 1.00 23.31 N ATOM 979 CD2 HIS A 544 16.999 -16.392 4.949 1.00 3.42 C ATOM 980 CE1 HIS A 544 17.570 -17.367 6.828 1.00 13.43 C ATOM 981 NE2 HIS A 544 18.034 -16.664 5.810 1.00 34.24 N ATOM 0 H HIS A 544 12.590 -17.296 3.394 1.00 30.05 H new ATOM 0 HA HIS A 544 14.852 -18.892 4.078 1.00 5.43 H new ATOM 0 HB2 HIS A 544 14.379 -16.278 4.138 1.00 1.55 H new ATOM 0 HB3 HIS A 544 13.808 -16.620 5.759 1.00 1.55 H new ATOM 0 HD2 HIS A 544 17.064 -15.836 4.025 1.00 3.42 H new ATOM 0 HE1 HIS A 544 18.151 -17.727 7.664 1.00 13.43 H new ATOM 0 HE2 HIS A 544 19.003 -16.371 5.684 1.00 34.24 H new ATOM 989 N PHE A 545 12.400 -18.698 6.300 1.00 31.50 N ATOM 990 CA PHE A 545 11.813 -19.369 7.455 1.00 42.15 C ATOM 991 C PHE A 545 10.755 -20.378 7.018 1.00 65.32 C ATOM 992 O PHE A 545 9.675 -20.457 7.604 1.00 41.42 O ATOM 993 CB PHE A 545 11.194 -18.343 8.406 1.00 35.30 C ATOM 994 CG PHE A 545 12.140 -17.247 8.805 1.00 71.21 C ATOM 995 CD1 PHE A 545 12.811 -17.300 10.016 1.00 63.23 C ATOM 996 CD2 PHE A 545 12.358 -16.164 7.969 1.00 14.31 C ATOM 997 CE1 PHE A 545 13.683 -16.293 10.386 1.00 62.43 C ATOM 998 CE2 PHE A 545 13.228 -15.154 8.334 1.00 65.35 C ATOM 999 CZ PHE A 545 13.891 -15.219 9.544 1.00 41.42 C ATOM 0 H PHE A 545 11.897 -17.865 5.995 1.00 31.50 H new ATOM 0 HA PHE A 545 12.607 -19.905 7.976 1.00 42.15 H new ATOM 0 HB2 PHE A 545 10.319 -17.901 7.930 1.00 35.30 H new ATOM 0 HB3 PHE A 545 10.845 -18.855 9.303 1.00 35.30 H new ATOM 0 HD1 PHE A 545 12.651 -18.138 10.679 1.00 63.23 H new ATOM 0 HD2 PHE A 545 11.842 -16.108 7.022 1.00 14.31 H new ATOM 0 HE1 PHE A 545 14.201 -16.346 11.332 1.00 62.43 H new ATOM 0 HE2 PHE A 545 13.389 -14.315 7.674 1.00 65.35 H new ATOM 0 HZ PHE A 545 14.571 -14.431 9.831 1.00 41.42 H new ATOM 1009 N THR A 546 11.074 -21.150 5.983 1.00 31.01 N ATOM 1010 CA THR A 546 10.152 -22.153 5.466 1.00 61.33 C ATOM 1011 C THR A 546 9.843 -23.211 6.519 1.00 64.54 C ATOM 1012 O THR A 546 8.827 -23.901 6.439 1.00 31.54 O ATOM 1013 CB THR A 546 10.720 -22.844 4.211 1.00 14.22 C ATOM 1014 OG1 THR A 546 9.702 -23.632 3.583 1.00 2.31 O ATOM 1015 CG2 THR A 546 11.904 -23.728 4.570 1.00 62.43 C ATOM 0 H THR A 546 11.964 -21.099 5.487 1.00 31.01 H new ATOM 0 HA THR A 546 9.233 -21.630 5.200 1.00 61.33 H new ATOM 0 HB THR A 546 11.060 -22.073 3.520 1.00 14.22 H new ATOM 0 HG1 THR A 546 10.070 -24.067 2.786 1.00 2.31 H new ATOM 0 HG21 THR A 546 12.288 -24.205 3.669 1.00 62.43 H new ATOM 0 HG22 THR A 546 12.688 -23.120 5.021 1.00 62.43 H new ATOM 0 HG23 THR A 546 11.585 -24.493 5.278 1.00 62.43 H new ATOM 1023 N ARG A 547 10.726 -23.334 7.504 1.00 3.25 N ATOM 1024 CA ARG A 547 10.548 -24.309 8.573 1.00 14.04 C ATOM 1025 C ARG A 547 10.328 -23.613 9.913 1.00 11.33 C ATOM 1026 O ARG A 547 9.801 -24.206 10.855 1.00 23.13 O ATOM 1027 CB ARG A 547 11.765 -25.232 8.660 1.00 53.35 C ATOM 1028 CG ARG A 547 13.091 -24.490 8.679 1.00 2.15 C ATOM 1029 CD ARG A 547 14.141 -25.248 9.476 1.00 4.03 C ATOM 1030 NE ARG A 547 14.826 -26.250 8.665 1.00 62.55 N ATOM 1031 CZ ARG A 547 15.761 -27.067 9.139 1.00 53.22 C ATOM 1032 NH1 ARG A 547 16.119 -27.000 10.413 1.00 3.25 N ATOM 1033 NH2 ARG A 547 16.338 -27.953 8.338 1.00 41.04 N ATOM 0 H ARG A 547 11.572 -22.770 7.584 1.00 3.25 H new ATOM 0 HA ARG A 547 9.665 -24.905 8.343 1.00 14.04 H new ATOM 0 HB2 ARG A 547 11.686 -25.840 9.561 1.00 53.35 H new ATOM 0 HB3 ARG A 547 11.753 -25.916 7.812 1.00 53.35 H new ATOM 0 HG2 ARG A 547 13.443 -24.344 7.658 1.00 2.15 H new ATOM 0 HG3 ARG A 547 12.949 -23.500 9.111 1.00 2.15 H new ATOM 0 HD2 ARG A 547 14.871 -24.544 9.875 1.00 4.03 H new ATOM 0 HD3 ARG A 547 13.668 -25.734 10.329 1.00 4.03 H new ATOM 0 HE ARG A 547 14.573 -26.327 7.680 1.00 62.55 H new ATOM 0 HH11 ARG A 547 15.677 -26.320 11.032 1.00 3.25 H new ATOM 0 HH12 ARG A 547 16.837 -27.628 10.775 1.00 3.25 H new ATOM 0 HH21 ARG A 547 16.064 -28.008 7.357 1.00 41.04 H new ATOM 0 HH22 ARG A 547 17.055 -28.579 8.703 1.00 41.04 H new ATOM 1047 N THR A 548 10.736 -22.350 9.992 1.00 13.22 N ATOM 1048 CA THR A 548 10.585 -21.573 11.216 1.00 24.12 C ATOM 1049 C THR A 548 9.310 -20.738 11.185 1.00 64.25 C ATOM 1050 O THR A 548 9.115 -19.920 10.285 1.00 31.43 O ATOM 1051 CB THR A 548 11.791 -20.641 11.441 1.00 14.34 C ATOM 1052 OG1 THR A 548 12.990 -21.413 11.572 1.00 54.41 O ATOM 1053 CG2 THR A 548 11.591 -19.790 12.687 1.00 42.24 C ATOM 0 H THR A 548 11.174 -21.844 9.222 1.00 13.22 H new ATOM 0 HA THR A 548 10.527 -22.286 12.038 1.00 24.12 H new ATOM 0 HB THR A 548 11.878 -19.981 10.578 1.00 14.34 H new ATOM 0 HG1 THR A 548 13.752 -20.813 11.713 1.00 54.41 H new ATOM 0 HG21 THR A 548 12.455 -19.140 12.826 1.00 42.24 H new ATOM 0 HG22 THR A 548 10.694 -19.182 12.572 1.00 42.24 H new ATOM 0 HG23 THR A 548 11.481 -20.438 13.556 1.00 42.24 H new ATOM 1061 N ARG A 549 8.446 -20.949 12.172 1.00 72.14 N ATOM 1062 CA ARG A 549 7.189 -20.216 12.256 1.00 53.41 C ATOM 1063 C ARG A 549 6.688 -20.159 13.696 1.00 11.22 C ATOM 1064 O ARG A 549 7.298 -20.733 14.599 1.00 42.52 O ATOM 1065 CB ARG A 549 6.132 -20.868 11.363 1.00 60.23 C ATOM 1066 CG ARG A 549 6.316 -20.569 9.884 1.00 54.11 C ATOM 1067 CD ARG A 549 7.014 -21.713 9.166 1.00 31.44 C ATOM 1068 NE ARG A 549 6.079 -22.525 8.391 1.00 44.42 N ATOM 1069 CZ ARG A 549 5.678 -22.212 7.164 1.00 72.02 C ATOM 1070 NH1 ARG A 549 6.127 -21.112 6.576 1.00 42.03 N ATOM 1071 NH2 ARG A 549 4.825 -23.001 6.522 1.00 4.12 N ATOM 0 H ARG A 549 8.593 -21.621 12.925 1.00 72.14 H new ATOM 0 HA ARG A 549 7.368 -19.198 11.911 1.00 53.41 H new ATOM 0 HB2 ARG A 549 6.158 -21.947 11.513 1.00 60.23 H new ATOM 0 HB3 ARG A 549 5.145 -20.526 11.674 1.00 60.23 H new ATOM 0 HG2 ARG A 549 5.344 -20.389 9.425 1.00 54.11 H new ATOM 0 HG3 ARG A 549 6.898 -19.655 9.766 1.00 54.11 H new ATOM 0 HD2 ARG A 549 7.780 -21.311 8.503 1.00 31.44 H new ATOM 0 HD3 ARG A 549 7.522 -22.343 9.896 1.00 31.44 H new ATOM 0 HE ARG A 549 5.715 -23.378 8.815 1.00 44.42 H new ATOM 0 HH11 ARG A 549 6.782 -20.503 7.066 1.00 42.03 H new ATOM 0 HH12 ARG A 549 5.817 -20.875 5.634 1.00 42.03 H new ATOM 0 HH21 ARG A 549 4.477 -23.848 6.971 1.00 4.12 H new ATOM 0 HH22 ARG A 549 4.518 -22.760 5.580 1.00 4.12 H new ATOM 1085 N ILE A 550 5.575 -19.463 13.903 1.00 32.41 N ATOM 1086 CA ILE A 550 4.992 -19.332 15.233 1.00 65.51 C ATOM 1087 C ILE A 550 3.587 -18.745 15.162 1.00 1.11 C ATOM 1088 O ILE A 550 3.070 -18.473 14.078 1.00 52.31 O ATOM 1089 CB ILE A 550 5.862 -18.446 16.143 1.00 2.25 C ATOM 1090 CG1 ILE A 550 5.673 -18.842 17.609 1.00 22.12 C ATOM 1091 CG2 ILE A 550 5.519 -16.978 15.938 1.00 43.05 C ATOM 1092 CD1 ILE A 550 6.969 -18.923 18.385 1.00 21.51 C ATOM 0 H ILE A 550 5.059 -18.981 13.167 1.00 32.41 H new ATOM 0 HA ILE A 550 4.942 -20.335 15.657 1.00 65.51 H new ATOM 0 HB ILE A 550 6.908 -18.596 15.877 1.00 2.25 H new ATOM 0 HG12 ILE A 550 5.015 -18.118 18.090 1.00 22.12 H new ATOM 0 HG13 ILE A 550 5.171 -19.808 17.654 1.00 22.12 H new ATOM 0 HG21 ILE A 550 6.142 -16.364 16.588 1.00 43.05 H new ATOM 0 HG22 ILE A 550 5.699 -16.704 14.899 1.00 43.05 H new ATOM 0 HG23 ILE A 550 4.469 -16.812 16.180 1.00 43.05 H new ATOM 0 HD11 ILE A 550 6.759 -19.209 19.416 1.00 21.51 H new ATOM 0 HD12 ILE A 550 7.621 -19.668 17.928 1.00 21.51 H new ATOM 0 HD13 ILE A 550 7.463 -17.951 18.371 1.00 21.51 H new ATOM 1104 N LEU A 551 2.974 -18.550 16.325 1.00 44.25 N ATOM 1105 CA LEU A 551 1.628 -17.992 16.396 1.00 43.03 C ATOM 1106 C LEU A 551 1.423 -16.926 15.324 1.00 61.31 C ATOM 1107 O LEU A 551 0.375 -16.871 14.682 1.00 20.32 O ATOM 1108 CB LEU A 551 1.375 -17.394 17.781 1.00 44.13 C ATOM 1109 CG LEU A 551 2.205 -16.161 18.141 1.00 55.42 C ATOM 1110 CD1 LEU A 551 1.463 -14.889 17.759 1.00 42.14 C ATOM 1111 CD2 LEU A 551 2.541 -16.159 19.625 1.00 53.41 C ATOM 0 H LEU A 551 3.388 -18.770 17.231 1.00 44.25 H new ATOM 0 HA LEU A 551 0.917 -18.799 16.220 1.00 43.03 H new ATOM 0 HB2 LEU A 551 0.320 -17.131 17.854 1.00 44.13 H new ATOM 0 HB3 LEU A 551 1.564 -18.165 18.528 1.00 44.13 H new ATOM 0 HG LEU A 551 3.138 -16.197 17.578 1.00 55.42 H new ATOM 0 HD11 LEU A 551 2.068 -14.022 18.022 1.00 42.14 H new ATOM 0 HD12 LEU A 551 1.273 -14.887 16.686 1.00 42.14 H new ATOM 0 HD13 LEU A 551 0.515 -14.846 18.295 1.00 42.14 H new ATOM 0 HD21 LEU A 551 3.132 -15.275 19.863 1.00 53.41 H new ATOM 0 HD22 LEU A 551 1.619 -16.147 20.207 1.00 53.41 H new ATOM 0 HD23 LEU A 551 3.113 -17.054 19.870 1.00 53.41 H new ATOM 1123 N ASN A 552 2.433 -16.083 15.135 1.00 54.34 N ATOM 1124 CA ASN A 552 2.363 -15.019 14.139 1.00 65.31 C ATOM 1125 C ASN A 552 2.603 -15.571 12.737 1.00 50.34 C ATOM 1126 O ASN A 552 1.733 -15.491 11.869 1.00 61.10 O ATOM 1127 CB ASN A 552 3.391 -13.930 14.453 1.00 23.32 C ATOM 1128 CG ASN A 552 3.378 -12.811 13.431 1.00 42.44 C ATOM 1129 OD1 ASN A 552 2.317 -12.372 12.987 1.00 73.41 O ATOM 1130 ND2 ASN A 552 4.562 -12.342 13.051 1.00 35.14 N ATOM 0 H ASN A 552 3.308 -16.116 15.657 1.00 54.34 H new ATOM 0 HA ASN A 552 1.363 -14.587 14.174 1.00 65.31 H new ATOM 0 HB2 ASN A 552 3.189 -13.518 15.442 1.00 23.32 H new ATOM 0 HB3 ASN A 552 4.386 -14.373 14.490 1.00 23.32 H new ATOM 0 HD21 ASN A 552 4.616 -11.589 12.365 1.00 35.14 H new ATOM 0 HD22 ASN A 552 5.417 -12.735 13.445 1.00 35.14 H new ATOM 1137 N LYS A 553 3.789 -16.131 12.522 1.00 55.34 N ATOM 1138 CA LYS A 553 4.144 -16.698 11.226 1.00 13.21 C ATOM 1139 C LYS A 553 3.210 -17.847 10.861 1.00 72.12 C ATOM 1140 O LYS A 553 2.508 -18.401 11.707 1.00 61.50 O ATOM 1141 CB LYS A 553 5.593 -17.189 11.242 1.00 71.34 C ATOM 1142 CG LYS A 553 6.521 -16.320 12.073 1.00 61.54 C ATOM 1143 CD LYS A 553 6.390 -14.852 11.703 1.00 32.44 C ATOM 1144 CE LYS A 553 7.645 -14.073 12.064 1.00 12.53 C ATOM 1145 NZ LYS A 553 8.641 -14.082 10.958 1.00 41.05 N ATOM 0 H LYS A 553 4.521 -16.204 13.229 1.00 55.34 H new ATOM 0 HA LYS A 553 4.040 -15.916 10.474 1.00 13.21 H new ATOM 0 HB2 LYS A 553 5.618 -18.207 11.630 1.00 71.34 H new ATOM 0 HB3 LYS A 553 5.966 -17.228 10.218 1.00 71.34 H new ATOM 0 HG2 LYS A 553 6.294 -16.451 13.131 1.00 61.54 H new ATOM 0 HG3 LYS A 553 7.552 -16.643 11.926 1.00 61.54 H new ATOM 0 HD2 LYS A 553 6.199 -14.761 10.634 1.00 32.44 H new ATOM 0 HD3 LYS A 553 5.532 -14.421 12.218 1.00 32.44 H new ATOM 0 HE2 LYS A 553 7.377 -13.044 12.303 1.00 12.53 H new ATOM 0 HE3 LYS A 553 8.094 -14.502 12.960 1.00 12.53 H new ATOM 0 HZ1 LYS A 553 9.482 -13.540 11.244 1.00 41.05 H new ATOM 0 HZ2 LYS A 553 8.916 -15.062 10.746 1.00 41.05 H new ATOM 0 HZ3 LYS A 553 8.222 -13.649 10.110 1.00 41.05 H new ATOM 1159 N PRO A 554 3.200 -18.216 9.571 1.00 3.03 N ATOM 1160 CA PRO A 554 2.358 -19.304 9.065 1.00 24.34 C ATOM 1161 C PRO A 554 2.823 -20.672 9.555 1.00 52.23 C ATOM 1162 O PRO A 554 3.420 -21.441 8.802 1.00 51.32 O ATOM 1163 CB PRO A 554 2.516 -19.198 7.547 1.00 51.15 C ATOM 1164 CG PRO A 554 3.838 -18.541 7.348 1.00 40.31 C ATOM 1165 CD PRO A 554 4.011 -17.599 8.508 1.00 60.42 C ATOM 0 HA PRO A 554 1.327 -19.215 9.407 1.00 24.34 H new ATOM 0 HB2 PRO A 554 2.488 -20.181 7.077 1.00 51.15 H new ATOM 0 HB3 PRO A 554 1.711 -18.610 7.105 1.00 51.15 H new ATOM 0 HG2 PRO A 554 4.640 -19.278 7.321 1.00 40.31 H new ATOM 0 HG3 PRO A 554 3.868 -18.003 6.401 1.00 40.31 H new ATOM 0 HD2 PRO A 554 5.057 -17.510 8.801 1.00 60.42 H new ATOM 0 HD3 PRO A 554 3.661 -16.595 8.267 1.00 60.42 H new ATOM 1173 N MET A 555 2.544 -20.968 10.820 1.00 63.42 N ATOM 1174 CA MET A 555 2.933 -22.245 11.408 1.00 14.04 C ATOM 1175 C MET A 555 2.244 -23.404 10.695 1.00 32.34 C ATOM 1176 O MET A 555 2.901 -24.258 10.102 1.00 30.52 O ATOM 1177 CB MET A 555 2.587 -22.270 12.899 1.00 43.14 C ATOM 1178 CG MET A 555 2.748 -23.640 13.537 1.00 61.23 C ATOM 1179 SD MET A 555 4.453 -24.226 13.504 1.00 41.10 S ATOM 1180 CE MET A 555 4.203 -25.984 13.268 1.00 53.43 C ATOM 0 H MET A 555 2.051 -20.342 11.457 1.00 63.42 H new ATOM 0 HA MET A 555 4.011 -22.358 11.290 1.00 14.04 H new ATOM 0 HB2 MET A 555 3.223 -21.557 13.423 1.00 43.14 H new ATOM 0 HB3 MET A 555 1.558 -21.936 13.031 1.00 43.14 H new ATOM 0 HG2 MET A 555 2.402 -23.598 14.570 1.00 61.23 H new ATOM 0 HG3 MET A 555 2.112 -24.356 13.017 1.00 61.23 H new ATOM 0 HE1 MET A 555 5.169 -26.487 13.227 1.00 53.43 H new ATOM 0 HE2 MET A 555 3.621 -26.383 14.099 1.00 53.43 H new ATOM 0 HE3 MET A 555 3.666 -26.153 12.335 1.00 53.43 H new ATOM 1190 N ASN A 556 0.916 -23.427 10.758 1.00 24.23 N ATOM 1191 CA ASN A 556 0.139 -24.483 10.119 1.00 0.41 C ATOM 1192 C ASN A 556 -1.087 -23.906 9.418 1.00 35.42 C ATOM 1193 O ASN A 556 -2.189 -24.443 9.532 1.00 70.22 O ATOM 1194 CB ASN A 556 -0.293 -25.524 11.153 1.00 20.13 C ATOM 1195 CG ASN A 556 -0.488 -26.899 10.543 1.00 52.40 C ATOM 1196 OD1 ASN A 556 -1.594 -27.259 10.139 1.00 21.45 O ATOM 1197 ND2 ASN A 556 0.588 -27.673 10.473 1.00 22.11 N ATOM 0 H ASN A 556 0.356 -22.727 11.245 1.00 24.23 H new ATOM 0 HA ASN A 556 0.770 -24.964 9.372 1.00 0.41 H new ATOM 0 HB2 ASN A 556 0.458 -25.582 11.941 1.00 20.13 H new ATOM 0 HB3 ASN A 556 -1.223 -25.202 11.622 1.00 20.13 H new ATOM 0 HD21 ASN A 556 0.518 -28.608 10.072 1.00 22.11 H new ATOM 0 HD22 ASN A 556 1.485 -27.333 10.820 1.00 22.11 H new ATOM 1204 N MET A 557 -0.888 -22.811 8.693 1.00 4.31 N ATOM 1205 CA MET A 557 -1.977 -22.163 7.972 1.00 10.30 C ATOM 1206 C MET A 557 -2.114 -22.736 6.565 1.00 13.40 C ATOM 1207 O MET A 557 -1.362 -23.627 6.173 1.00 60.12 O ATOM 1208 CB MET A 557 -1.742 -20.653 7.900 1.00 52.32 C ATOM 1209 CG MET A 557 -0.473 -20.270 7.155 1.00 15.13 C ATOM 1210 SD MET A 557 -0.762 -19.968 5.401 1.00 2.22 S ATOM 1211 CE MET A 557 0.601 -20.873 4.673 1.00 23.21 C ATOM 0 H MET A 557 0.018 -22.353 8.589 1.00 4.31 H new ATOM 0 HA MET A 557 -2.903 -22.354 8.514 1.00 10.30 H new ATOM 0 HB2 MET A 557 -2.596 -20.184 7.412 1.00 52.32 H new ATOM 0 HB3 MET A 557 -1.694 -20.252 8.913 1.00 52.32 H new ATOM 0 HG2 MET A 557 -0.046 -19.375 7.608 1.00 15.13 H new ATOM 0 HG3 MET A 557 0.263 -21.066 7.266 1.00 15.13 H new ATOM 0 HE1 MET A 557 0.500 -20.871 3.588 1.00 23.21 H new ATOM 0 HE2 MET A 557 1.542 -20.399 4.951 1.00 23.21 H new ATOM 0 HE3 MET A 557 0.591 -21.900 5.037 1.00 23.21 H new ATOM 1221 N GLN A 558 -3.079 -22.218 5.812 1.00 50.15 N ATOM 1222 CA GLN A 558 -3.314 -22.680 4.449 1.00 52.23 C ATOM 1223 C GLN A 558 -4.093 -21.641 3.649 1.00 41.15 C ATOM 1224 O GLN A 558 -5.085 -21.089 4.127 1.00 42.00 O ATOM 1225 CB GLN A 558 -4.075 -24.007 4.462 1.00 55.55 C ATOM 1226 CG GLN A 558 -5.549 -23.859 4.804 1.00 72.00 C ATOM 1227 CD GLN A 558 -6.257 -25.194 4.922 1.00 75.24 C ATOM 1228 OE1 GLN A 558 -6.183 -25.861 5.954 1.00 4.11 O ATOM 1229 NE2 GLN A 558 -6.951 -25.592 3.861 1.00 21.24 N ATOM 0 H GLN A 558 -3.710 -21.479 6.122 1.00 50.15 H new ATOM 0 HA GLN A 558 -2.346 -22.829 3.971 1.00 52.23 H new ATOM 0 HB2 GLN A 558 -3.983 -24.479 3.484 1.00 55.55 H new ATOM 0 HB3 GLN A 558 -3.608 -24.677 5.184 1.00 55.55 H new ATOM 0 HG2 GLN A 558 -5.647 -23.316 5.744 1.00 72.00 H new ATOM 0 HG3 GLN A 558 -6.038 -23.259 4.036 1.00 72.00 H new ATOM 0 HE21 GLN A 558 -6.986 -25.008 3.026 1.00 21.24 H new ATOM 0 HE22 GLN A 558 -7.449 -26.482 3.882 1.00 21.24 H new ATOM 1238 N LEU A 559 -3.638 -21.378 2.429 1.00 63.35 N ATOM 1239 CA LEU A 559 -4.292 -20.405 1.561 1.00 4.40 C ATOM 1240 C LEU A 559 -5.728 -20.820 1.262 1.00 74.31 C ATOM 1241 O LEU A 559 -5.975 -21.905 0.733 1.00 41.14 O ATOM 1242 CB LEU A 559 -3.511 -20.250 0.255 1.00 62.53 C ATOM 1243 CG LEU A 559 -4.041 -19.203 -0.725 1.00 33.02 C ATOM 1244 CD1 LEU A 559 -5.204 -19.764 -1.529 1.00 24.50 C ATOM 1245 CD2 LEU A 559 -4.463 -17.944 0.018 1.00 53.41 C ATOM 0 H LEU A 559 -2.818 -21.825 2.018 1.00 63.35 H new ATOM 0 HA LEU A 559 -4.311 -19.447 2.081 1.00 4.40 H new ATOM 0 HB2 LEU A 559 -2.479 -19.999 0.500 1.00 62.53 H new ATOM 0 HB3 LEU A 559 -3.493 -21.215 -0.251 1.00 62.53 H new ATOM 0 HG LEU A 559 -3.240 -18.942 -1.417 1.00 33.02 H new ATOM 0 HD11 LEU A 559 -5.568 -19.004 -2.221 1.00 24.50 H new ATOM 0 HD12 LEU A 559 -4.871 -20.637 -2.091 1.00 24.50 H new ATOM 0 HD13 LEU A 559 -6.008 -20.053 -0.852 1.00 24.50 H new ATOM 0 HD21 LEU A 559 -4.838 -17.209 -0.695 1.00 53.41 H new ATOM 0 HD22 LEU A 559 -5.248 -18.189 0.733 1.00 53.41 H new ATOM 0 HD23 LEU A 559 -3.606 -17.530 0.549 1.00 53.41 H new ATOM 1257 N LEU A 560 -6.673 -19.951 1.602 1.00 53.41 N ATOM 1258 CA LEU A 560 -8.087 -20.226 1.368 1.00 44.13 C ATOM 1259 C LEU A 560 -8.684 -19.215 0.394 1.00 71.31 C ATOM 1260 O LEU A 560 -9.661 -19.505 -0.296 1.00 22.13 O ATOM 1261 CB LEU A 560 -8.858 -20.196 2.688 1.00 21.24 C ATOM 1262 CG LEU A 560 -9.289 -18.815 3.183 1.00 73.02 C ATOM 1263 CD1 LEU A 560 -10.732 -18.535 2.793 1.00 73.23 C ATOM 1264 CD2 LEU A 560 -9.112 -18.709 4.690 1.00 13.05 C ATOM 0 H LEU A 560 -6.486 -19.049 2.041 1.00 53.41 H new ATOM 0 HA LEU A 560 -8.171 -21.220 0.928 1.00 44.13 H new ATOM 0 HB2 LEU A 560 -9.749 -20.815 2.580 1.00 21.24 H new ATOM 0 HB3 LEU A 560 -8.240 -20.659 3.457 1.00 21.24 H new ATOM 0 HG LEU A 560 -8.654 -18.066 2.710 1.00 73.02 H new ATOM 0 HD11 LEU A 560 -11.021 -17.548 3.154 1.00 73.23 H new ATOM 0 HD12 LEU A 560 -10.828 -18.568 1.708 1.00 73.23 H new ATOM 0 HD13 LEU A 560 -11.382 -19.289 3.238 1.00 73.23 H new ATOM 0 HD21 LEU A 560 -9.424 -17.719 5.024 1.00 13.05 H new ATOM 0 HD22 LEU A 560 -9.721 -19.467 5.182 1.00 13.05 H new ATOM 0 HD23 LEU A 560 -8.064 -18.865 4.945 1.00 13.05 H new ATOM 1276 N GLY A 561 -8.089 -18.028 0.342 1.00 44.42 N ATOM 1277 CA GLY A 561 -8.574 -16.993 -0.552 1.00 53.23 C ATOM 1278 C GLY A 561 -7.946 -17.074 -1.929 1.00 62.32 C ATOM 1279 O GLY A 561 -7.576 -18.156 -2.387 1.00 51.42 O ATOM 0 H GLY A 561 -7.279 -17.764 0.903 1.00 44.42 H new ATOM 0 HA2 GLY A 561 -9.657 -17.076 -0.645 1.00 53.23 H new ATOM 0 HA3 GLY A 561 -8.365 -16.015 -0.118 1.00 53.23 H new ATOM 1283 N ASP A 562 -7.826 -15.929 -2.592 1.00 22.14 N ATOM 1284 CA ASP A 562 -7.238 -15.875 -3.925 1.00 72.02 C ATOM 1285 C ASP A 562 -7.000 -14.431 -4.356 1.00 71.10 C ATOM 1286 O ASP A 562 -7.910 -13.603 -4.317 1.00 60.51 O ATOM 1287 CB ASP A 562 -8.146 -16.579 -4.935 1.00 15.52 C ATOM 1288 CG ASP A 562 -7.695 -16.365 -6.366 1.00 73.33 C ATOM 1289 OD1 ASP A 562 -6.571 -16.792 -6.704 1.00 35.34 O ATOM 1290 OD2 ASP A 562 -8.466 -15.771 -7.149 1.00 44.53 O ATOM 0 H ASP A 562 -8.128 -15.025 -2.228 1.00 22.14 H new ATOM 0 HA ASP A 562 -6.277 -16.388 -3.893 1.00 72.02 H new ATOM 0 HB2 ASP A 562 -8.165 -17.647 -4.719 1.00 15.52 H new ATOM 0 HB3 ASP A 562 -9.166 -16.212 -4.820 1.00 15.52 H new ATOM 1295 N ALA A 563 -5.771 -14.136 -4.766 1.00 23.24 N ATOM 1296 CA ALA A 563 -5.413 -12.793 -5.204 1.00 54.04 C ATOM 1297 C ALA A 563 -6.363 -12.299 -6.290 1.00 75.22 C ATOM 1298 O ALA A 563 -6.469 -12.904 -7.357 1.00 5.02 O ATOM 1299 CB ALA A 563 -3.977 -12.766 -5.705 1.00 61.03 C ATOM 0 H ALA A 563 -5.006 -14.810 -4.804 1.00 23.24 H new ATOM 0 HA ALA A 563 -5.500 -12.123 -4.348 1.00 54.04 H new ATOM 0 HB1 ALA A 563 -3.724 -11.757 -6.029 1.00 61.03 H new ATOM 0 HB2 ALA A 563 -3.306 -13.069 -4.901 1.00 61.03 H new ATOM 0 HB3 ALA A 563 -3.871 -13.453 -6.544 1.00 61.03 H new ATOM 1305 N GLN A 564 -7.053 -11.198 -6.010 1.00 73.14 N ATOM 1306 CA GLN A 564 -7.996 -10.625 -6.964 1.00 1.11 C ATOM 1307 C GLN A 564 -7.312 -10.327 -8.294 1.00 24.31 C ATOM 1308 O GLN A 564 -7.836 -10.651 -9.360 1.00 70.02 O ATOM 1309 CB GLN A 564 -8.613 -9.345 -6.397 1.00 20.34 C ATOM 1310 CG GLN A 564 -10.038 -9.097 -6.866 1.00 24.25 C ATOM 1311 CD GLN A 564 -11.004 -10.162 -6.386 1.00 23.40 C ATOM 1312 OE1 GLN A 564 -11.065 -10.471 -5.195 1.00 65.25 O ATOM 1313 NE2 GLN A 564 -11.766 -10.731 -7.313 1.00 11.03 N ATOM 0 H GLN A 564 -6.977 -10.685 -5.131 1.00 73.14 H new ATOM 0 HA GLN A 564 -8.786 -11.355 -7.138 1.00 1.11 H new ATOM 0 HB2 GLN A 564 -8.602 -9.397 -5.308 1.00 20.34 H new ATOM 0 HB3 GLN A 564 -7.992 -8.495 -6.682 1.00 20.34 H new ATOM 0 HG2 GLN A 564 -10.370 -8.123 -6.508 1.00 24.25 H new ATOM 0 HG3 GLN A 564 -10.057 -9.059 -7.955 1.00 24.25 H new ATOM 0 HE21 GLN A 564 -11.682 -10.444 -8.288 1.00 11.03 H new ATOM 0 HE22 GLN A 564 -12.435 -11.455 -7.050 1.00 11.03 H new