USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=14 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 :FLIP amide:sc= -0.152 F(o=-0.67,f=-0.13) USER MOD Set 1.2: A 489 TYR OH : rot 150:sc= 0.0239 USER MOD Single : A 486 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 503 HIS : no HD1:sc= -3.75! C(o=-3.7!,f=-3.2!) USER MOD Single : A 510 ASN : amide:sc= -0.297 K(o=-0.3,f=-1.7) 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= -0.0248 K(o=-0.025,f=-0.71) 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 HD1:sc= -0.336 X(o=-0.34,f=-0.77) USER MOD Single : A 529 SER OG : rot 82:sc= 1.12 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.201 USER MOD Single : A 535 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.684) USER MOD Single : A 537 MET CE :methyl 147:sc= -0.117 (180deg=-1.01) USER MOD Single : A 543 GLN : amide:sc= -0.0216 X(o=-0.022,f=-0.022) 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= -0.403 USER MOD Single : A 552 ASN : amide:sc= -2.38 X(o=-2.4,f=-2.2!) USER MOD Single : A 553 LYS NZ :NH3+ 142:sc= -0.495 (180deg=-3.13!) USER MOD Single : A 555 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 556 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.0074) USER MOD Single : A 557 MET CE :methyl -118:sc= -0.411 (180deg=-3.35!) USER MOD Single : A 558 GLN : amide:sc= -1.11 K(o=-1.1,f=-3) USER MOD Single : A 564 GLN : amide:sc= -0.0601 X(o=-0.06,f=-0.061) USER MOD ----------------------------------------------------------------- ATOM 28 N ASP A 482 3.040 -4.048 -4.632 1.00 53.02 N ATOM 29 CA ASP A 482 3.917 -4.128 -5.794 1.00 51.34 C ATOM 30 C ASP A 482 3.193 -4.759 -6.980 1.00 11.15 C ATOM 31 O ASP A 482 3.443 -4.407 -8.132 1.00 41.04 O ATOM 32 CB ASP A 482 5.172 -4.935 -5.459 1.00 33.25 C ATOM 33 CG ASP A 482 6.445 -4.231 -5.885 1.00 32.01 C ATOM 34 OD1 ASP A 482 7.359 -4.914 -6.390 1.00 64.34 O ATOM 35 OD2 ASP A 482 6.527 -2.997 -5.712 1.00 52.32 O ATOM 0 HA ASP A 482 4.209 -3.114 -6.067 1.00 51.34 H new ATOM 0 HB2 ASP A 482 5.205 -5.121 -4.385 1.00 33.25 H new ATOM 0 HB3 ASP A 482 5.117 -5.907 -5.949 1.00 33.25 H new ATOM 40 N VAL A 483 2.295 -5.694 -6.688 1.00 34.42 N ATOM 41 CA VAL A 483 1.534 -6.375 -7.729 1.00 20.00 C ATOM 42 C VAL A 483 0.074 -6.540 -7.324 1.00 15.40 C ATOM 43 O VAL A 483 -0.831 -6.359 -8.138 1.00 34.33 O ATOM 44 CB VAL A 483 2.128 -7.761 -8.042 1.00 72.24 C ATOM 45 CG1 VAL A 483 2.253 -8.588 -6.772 1.00 63.20 C ATOM 46 CG2 VAL A 483 1.277 -8.483 -9.076 1.00 61.25 C ATOM 0 H VAL A 483 2.076 -5.997 -5.739 1.00 34.42 H new ATOM 0 HA VAL A 483 1.592 -5.753 -8.622 1.00 20.00 H new ATOM 0 HB VAL A 483 3.126 -7.624 -8.457 1.00 72.24 H new ATOM 0 HG11 VAL A 483 2.674 -9.564 -7.013 1.00 63.20 H new ATOM 0 HG12 VAL A 483 2.906 -8.075 -6.067 1.00 63.20 H new ATOM 0 HG13 VAL A 483 1.268 -8.719 -6.325 1.00 63.20 H new ATOM 0 HG21 VAL A 483 1.711 -9.461 -9.286 1.00 61.25 H new ATOM 0 HG22 VAL A 483 0.266 -8.610 -8.690 1.00 61.25 H new ATOM 0 HG23 VAL A 483 1.244 -7.896 -9.994 1.00 61.25 H new ATOM 56 N GLY A 484 -0.149 -6.883 -6.059 1.00 32.11 N ATOM 57 CA GLY A 484 -1.502 -7.066 -5.567 1.00 53.01 C ATOM 58 C GLY A 484 -1.707 -8.423 -4.924 1.00 22.13 C ATOM 59 O GLY A 484 -2.780 -9.016 -5.036 1.00 50.34 O ATOM 0 H GLY A 484 0.583 -7.037 -5.366 1.00 32.11 H new ATOM 0 HA2 GLY A 484 -1.730 -6.285 -4.841 1.00 53.01 H new ATOM 0 HA3 GLY A 484 -2.204 -6.949 -6.392 1.00 53.01 H new ATOM 63 N ASP A 485 -0.675 -8.917 -4.249 1.00 20.54 N ATOM 64 CA ASP A 485 -0.746 -10.214 -3.585 1.00 61.11 C ATOM 65 C ASP A 485 -1.594 -10.131 -2.320 1.00 32.42 C ATOM 66 O ASP A 485 -1.068 -10.135 -1.207 1.00 54.22 O ATOM 67 CB ASP A 485 0.659 -10.712 -3.241 1.00 34.23 C ATOM 68 CG ASP A 485 0.740 -12.225 -3.191 1.00 63.32 C ATOM 69 OD1 ASP A 485 0.321 -12.809 -2.170 1.00 51.41 O ATOM 70 OD2 ASP A 485 1.225 -12.826 -4.173 1.00 74.14 O ATOM 0 H ASP A 485 0.220 -8.439 -4.147 1.00 20.54 H new ATOM 0 HA ASP A 485 -1.216 -10.920 -4.270 1.00 61.11 H new ATOM 0 HB2 ASP A 485 1.366 -10.337 -3.982 1.00 34.23 H new ATOM 0 HB3 ASP A 485 0.961 -10.303 -2.277 1.00 34.23 H new ATOM 75 N MET A 486 -2.909 -10.056 -2.499 1.00 21.01 N ATOM 76 CA MET A 486 -3.830 -9.972 -1.371 1.00 62.42 C ATOM 77 C MET A 486 -4.733 -11.200 -1.315 1.00 32.11 C ATOM 78 O MET A 486 -5.484 -11.472 -2.251 1.00 61.04 O ATOM 79 CB MET A 486 -4.679 -8.704 -1.472 1.00 11.12 C ATOM 80 CG MET A 486 -5.311 -8.289 -0.153 1.00 22.42 C ATOM 81 SD MET A 486 -5.799 -6.554 -0.132 1.00 3.35 S ATOM 82 CE MET A 486 -7.293 -6.610 -1.117 1.00 52.02 C ATOM 0 H MET A 486 -3.360 -10.052 -3.414 1.00 21.01 H new ATOM 0 HA MET A 486 -3.241 -9.934 -0.455 1.00 62.42 H new ATOM 0 HB2 MET A 486 -4.057 -7.888 -1.840 1.00 11.12 H new ATOM 0 HB3 MET A 486 -5.466 -8.862 -2.209 1.00 11.12 H new ATOM 0 HG2 MET A 486 -6.186 -8.911 0.038 1.00 22.42 H new ATOM 0 HG3 MET A 486 -4.606 -8.474 0.657 1.00 22.42 H new ATOM 0 HE1 MET A 486 -7.715 -5.608 -1.196 1.00 52.02 H new ATOM 0 HE2 MET A 486 -7.058 -6.984 -2.113 1.00 52.02 H new ATOM 0 HE3 MET A 486 -8.017 -7.272 -0.642 1.00 52.02 H new ATOM 92 N GLN A 487 -4.655 -11.937 -0.212 1.00 23.14 N ATOM 93 CA GLN A 487 -5.465 -13.136 -0.035 1.00 72.32 C ATOM 94 C GLN A 487 -5.782 -13.367 1.439 1.00 74.04 C ATOM 95 O GLN A 487 -5.287 -12.652 2.311 1.00 63.14 O ATOM 96 CB GLN A 487 -4.742 -14.355 -0.610 1.00 70.34 C ATOM 97 CG GLN A 487 -4.125 -14.108 -1.977 1.00 45.42 C ATOM 98 CD GLN A 487 -3.325 -15.293 -2.480 1.00 73.52 C ATOM 99 OE1 GLN A 487 -3.517 -15.642 -3.747 1.00 74.24 O flip ATOM 100 NE2 GLN A 487 -2.544 -15.890 -1.738 1.00 63.22 N flip ATOM 0 H GLN A 487 -4.039 -11.725 0.573 1.00 23.14 H new ATOM 0 HA GLN A 487 -6.403 -12.992 -0.571 1.00 72.32 H new ATOM 0 HB2 GLN A 487 -3.959 -14.662 0.083 1.00 70.34 H new ATOM 0 HB3 GLN A 487 -5.446 -15.184 -0.683 1.00 70.34 H new ATOM 0 HG2 GLN A 487 -4.915 -13.879 -2.692 1.00 45.42 H new ATOM 0 HG3 GLN A 487 -3.477 -13.233 -1.926 1.00 45.42 H new ATOM 0 HE21 GLN A 487 -2.427 -15.588 -0.771 1.00 63.22 H new ATOM 0 HE22 GLN A 487 -2.014 -16.687 -2.091 1.00 63.22 H new ATOM 109 N LEU A 488 -6.611 -14.369 1.710 1.00 14.22 N ATOM 110 CA LEU A 488 -6.996 -14.694 3.079 1.00 23.14 C ATOM 111 C LEU A 488 -6.315 -15.977 3.546 1.00 41.11 C ATOM 112 O LEU A 488 -6.531 -17.048 2.978 1.00 22.03 O ATOM 113 CB LEU A 488 -8.515 -14.843 3.182 1.00 4.11 C ATOM 114 CG LEU A 488 -9.097 -14.819 4.596 1.00 73.54 C ATOM 115 CD1 LEU A 488 -9.008 -13.421 5.187 1.00 64.21 C ATOM 116 CD2 LEU A 488 -10.539 -15.305 4.586 1.00 35.01 C ATOM 0 H LEU A 488 -7.029 -14.970 1.000 1.00 14.22 H new ATOM 0 HA LEU A 488 -6.673 -13.877 3.724 1.00 23.14 H new ATOM 0 HB2 LEU A 488 -8.979 -14.042 2.606 1.00 4.11 H new ATOM 0 HB3 LEU A 488 -8.801 -15.782 2.709 1.00 4.11 H new ATOM 0 HG LEU A 488 -8.511 -15.493 5.221 1.00 73.54 H new ATOM 0 HD11 LEU A 488 -9.427 -13.424 6.193 1.00 64.21 H new ATOM 0 HD12 LEU A 488 -7.964 -13.110 5.229 1.00 64.21 H new ATOM 0 HD13 LEU A 488 -9.569 -12.726 4.563 1.00 64.21 H new ATOM 0 HD21 LEU A 488 -10.938 -15.282 5.600 1.00 35.01 H new ATOM 0 HD22 LEU A 488 -11.137 -14.657 3.946 1.00 35.01 H new ATOM 0 HD23 LEU A 488 -10.576 -16.326 4.205 1.00 35.01 H new ATOM 128 N TYR A 489 -5.494 -15.861 4.584 1.00 71.13 N ATOM 129 CA TYR A 489 -4.781 -17.011 5.127 1.00 74.43 C ATOM 130 C TYR A 489 -5.242 -17.316 6.549 1.00 72.11 C ATOM 131 O TYR A 489 -5.104 -16.488 7.449 1.00 4.31 O ATOM 132 CB TYR A 489 -3.273 -16.757 5.111 1.00 71.52 C ATOM 133 CG TYR A 489 -2.799 -16.000 3.891 1.00 75.33 C ATOM 134 CD1 TYR A 489 -2.705 -14.614 3.902 1.00 30.31 C ATOM 135 CD2 TYR A 489 -2.445 -16.672 2.727 1.00 53.53 C ATOM 136 CE1 TYR A 489 -2.274 -13.919 2.789 1.00 5.44 C ATOM 137 CE2 TYR A 489 -2.011 -15.984 1.610 1.00 73.13 C ATOM 138 CZ TYR A 489 -1.928 -14.608 1.646 1.00 44.22 C ATOM 139 OH TYR A 489 -1.496 -13.919 0.536 1.00 41.42 O ATOM 0 H TYR A 489 -5.306 -14.982 5.066 1.00 71.13 H new ATOM 0 HA TYR A 489 -5.004 -17.874 4.499 1.00 74.43 H new ATOM 0 HB2 TYR A 489 -2.998 -16.197 6.005 1.00 71.52 H new ATOM 0 HB3 TYR A 489 -2.752 -17.713 5.160 1.00 71.52 H new ATOM 0 HD1 TYR A 489 -2.973 -14.071 4.796 1.00 30.31 H new ATOM 0 HD2 TYR A 489 -2.510 -17.750 2.695 1.00 53.53 H new ATOM 0 HE1 TYR A 489 -2.208 -12.841 2.814 1.00 5.44 H new ATOM 0 HE2 TYR A 489 -1.738 -16.521 0.714 1.00 73.13 H new ATOM 0 HH TYR A 489 -0.869 -14.476 0.029 1.00 41.42 H new ATOM 149 N ARG A 490 -5.790 -18.511 6.743 1.00 74.10 N ATOM 150 CA ARG A 490 -6.272 -18.927 8.055 1.00 55.53 C ATOM 151 C ARG A 490 -5.256 -19.830 8.747 1.00 43.44 C ATOM 152 O ARG A 490 -4.755 -20.785 8.153 1.00 21.44 O ATOM 153 CB ARG A 490 -7.611 -19.655 7.922 1.00 30.33 C ATOM 154 CG ARG A 490 -7.510 -20.987 7.197 1.00 72.13 C ATOM 155 CD ARG A 490 -7.388 -22.146 8.174 1.00 50.13 C ATOM 156 NE ARG A 490 -6.818 -23.334 7.545 1.00 62.32 N ATOM 157 CZ ARG A 490 -6.344 -24.371 8.227 1.00 60.02 C ATOM 158 NH1 ARG A 490 -6.372 -24.366 9.552 1.00 15.34 N ATOM 159 NH2 ARG A 490 -5.841 -25.416 7.583 1.00 62.32 N ATOM 0 H ARG A 490 -5.911 -19.208 6.009 1.00 74.10 H new ATOM 0 HA ARG A 490 -6.411 -18.033 8.664 1.00 55.53 H new ATOM 0 HB2 ARG A 490 -8.024 -19.823 8.917 1.00 30.33 H new ATOM 0 HB3 ARG A 490 -8.313 -19.013 7.389 1.00 30.33 H new ATOM 0 HG2 ARG A 490 -8.391 -21.129 6.571 1.00 72.13 H new ATOM 0 HG3 ARG A 490 -6.645 -20.977 6.534 1.00 72.13 H new ATOM 0 HD2 ARG A 490 -6.764 -21.846 9.016 1.00 50.13 H new ATOM 0 HD3 ARG A 490 -8.372 -22.386 8.577 1.00 50.13 H new ATOM 0 HE ARG A 490 -6.782 -23.370 6.526 1.00 62.32 H new ATOM 0 HH11 ARG A 490 -6.758 -23.565 10.051 1.00 15.34 H new ATOM 0 HH12 ARG A 490 -6.007 -25.164 10.073 1.00 15.34 H new ATOM 0 HH21 ARG A 490 -5.818 -25.424 6.563 1.00 62.32 H new ATOM 0 HH22 ARG A 490 -5.477 -26.212 8.108 1.00 62.32 H new ATOM 173 N ILE A 491 -4.955 -19.520 10.003 1.00 15.43 N ATOM 174 CA ILE A 491 -3.999 -20.303 10.775 1.00 33.34 C ATOM 175 C ILE A 491 -4.709 -21.183 11.799 1.00 1.22 C ATOM 176 O ILE A 491 -5.885 -20.979 12.097 1.00 33.11 O ATOM 177 CB ILE A 491 -2.989 -19.399 11.505 1.00 43.30 C ATOM 178 CG1 ILE A 491 -3.687 -18.606 12.612 1.00 71.11 C ATOM 179 CG2 ILE A 491 -2.312 -18.458 10.519 1.00 24.32 C ATOM 180 CD1 ILE A 491 -2.753 -17.708 13.393 1.00 35.32 C ATOM 0 H ILE A 491 -5.360 -18.732 10.508 1.00 15.43 H new ATOM 0 HA ILE A 491 -3.463 -20.934 10.066 1.00 33.34 H new ATOM 0 HB ILE A 491 -2.225 -20.028 11.961 1.00 43.30 H new ATOM 0 HG12 ILE A 491 -4.477 -17.999 12.170 1.00 71.11 H new ATOM 0 HG13 ILE A 491 -4.167 -19.303 13.299 1.00 71.11 H new ATOM 0 HG21 ILE A 491 -1.601 -17.825 11.050 1.00 24.32 H new ATOM 0 HG22 ILE A 491 -1.786 -19.041 9.763 1.00 24.32 H new ATOM 0 HG23 ILE A 491 -3.064 -17.833 10.037 1.00 24.32 H new ATOM 0 HD11 ILE A 491 -3.316 -17.177 14.161 1.00 35.32 H new ATOM 0 HD12 ILE A 491 -1.977 -18.312 13.864 1.00 35.32 H new ATOM 0 HD13 ILE A 491 -2.292 -16.987 12.718 1.00 35.32 H new ATOM 192 N GLU A 492 -3.984 -22.160 12.335 1.00 14.15 N ATOM 193 CA GLU A 492 -4.545 -23.070 13.327 1.00 12.13 C ATOM 194 C GLU A 492 -4.122 -22.666 14.737 1.00 70.22 C ATOM 195 O GLU A 492 -3.631 -23.489 15.509 1.00 31.44 O ATOM 196 CB GLU A 492 -4.103 -24.507 13.042 1.00 43.51 C ATOM 197 CG GLU A 492 -4.842 -25.546 13.867 1.00 70.41 C ATOM 198 CD GLU A 492 -4.737 -26.940 13.279 1.00 62.21 C ATOM 199 OE1 GLU A 492 -4.255 -27.848 13.989 1.00 75.12 O ATOM 200 OE2 GLU A 492 -5.135 -27.123 12.110 1.00 70.13 O ATOM 0 H GLU A 492 -3.008 -22.341 12.099 1.00 14.15 H new ATOM 0 HA GLU A 492 -5.632 -23.012 13.262 1.00 12.13 H new ATOM 0 HB2 GLU A 492 -4.254 -24.721 11.984 1.00 43.51 H new ATOM 0 HB3 GLU A 492 -3.034 -24.595 13.236 1.00 43.51 H new ATOM 0 HG2 GLU A 492 -4.441 -25.552 14.881 1.00 70.41 H new ATOM 0 HG3 GLU A 492 -5.893 -25.265 13.942 1.00 70.41 H new ATOM 207 N VAL A 493 -4.315 -21.393 15.065 1.00 54.45 N ATOM 208 CA VAL A 493 -3.955 -20.878 16.380 1.00 22.54 C ATOM 209 C VAL A 493 -4.975 -19.856 16.869 1.00 24.13 C ATOM 210 O VAL A 493 -5.399 -18.979 16.118 1.00 2.14 O ATOM 211 CB VAL A 493 -2.559 -20.228 16.366 1.00 63.14 C ATOM 212 CG1 VAL A 493 -2.023 -20.080 17.782 1.00 55.13 C ATOM 213 CG2 VAL A 493 -1.602 -21.042 15.507 1.00 4.55 C ATOM 0 H VAL A 493 -4.719 -20.698 14.437 1.00 54.45 H new ATOM 0 HA VAL A 493 -3.944 -21.729 17.060 1.00 22.54 H new ATOM 0 HB VAL A 493 -2.645 -19.232 15.931 1.00 63.14 H new ATOM 0 HG11 VAL A 493 -1.036 -19.619 17.751 1.00 55.13 H new ATOM 0 HG12 VAL A 493 -2.699 -19.452 18.363 1.00 55.13 H new ATOM 0 HG13 VAL A 493 -1.950 -21.063 18.248 1.00 55.13 H new ATOM 0 HG21 VAL A 493 -0.620 -20.569 15.508 1.00 4.55 H new ATOM 0 HG22 VAL A 493 -1.519 -22.051 15.911 1.00 4.55 H new ATOM 0 HG23 VAL A 493 -1.981 -21.090 14.486 1.00 4.55 H new ATOM 223 N GLY A 494 -5.364 -19.975 18.135 1.00 32.40 N ATOM 224 CA GLY A 494 -6.331 -19.055 18.703 1.00 13.34 C ATOM 225 C GLY A 494 -6.038 -18.729 20.154 1.00 0.44 C ATOM 226 O GLY A 494 -4.974 -19.069 20.671 1.00 3.21 O ATOM 0 H GLY A 494 -5.026 -20.692 18.777 1.00 32.40 H new ATOM 0 HA2 GLY A 494 -6.337 -18.134 18.121 1.00 13.34 H new ATOM 0 HA3 GLY A 494 -7.329 -19.487 18.625 1.00 13.34 H new ATOM 230 N ARG A 495 -6.983 -18.066 20.813 1.00 11.10 N ATOM 231 CA ARG A 495 -6.819 -17.691 22.212 1.00 34.04 C ATOM 232 C ARG A 495 -6.491 -18.912 23.067 1.00 12.43 C ATOM 233 O ARG A 495 -5.650 -18.846 23.964 1.00 44.15 O ATOM 234 CB ARG A 495 -8.090 -17.017 22.734 1.00 43.43 C ATOM 235 CG ARG A 495 -9.363 -17.778 22.403 1.00 51.43 C ATOM 236 CD ARG A 495 -10.583 -17.123 23.032 1.00 41.33 C ATOM 237 NE ARG A 495 -11.092 -16.020 22.221 1.00 45.15 N ATOM 238 CZ ARG A 495 -12.300 -15.491 22.374 1.00 34.12 C ATOM 239 NH1 ARG A 495 -13.120 -15.962 23.304 1.00 51.30 N ATOM 240 NH2 ARG A 495 -12.691 -14.489 21.597 1.00 32.02 N ATOM 0 H ARG A 495 -7.870 -17.778 20.400 1.00 11.10 H new ATOM 0 HA ARG A 495 -5.989 -16.988 22.279 1.00 34.04 H new ATOM 0 HB2 ARG A 495 -8.014 -16.906 23.816 1.00 43.43 H new ATOM 0 HB3 ARG A 495 -8.157 -16.013 22.314 1.00 43.43 H new ATOM 0 HG2 ARG A 495 -9.490 -17.824 21.321 1.00 51.43 H new ATOM 0 HG3 ARG A 495 -9.277 -18.805 22.757 1.00 51.43 H new ATOM 0 HD2 ARG A 495 -11.367 -17.868 23.163 1.00 41.33 H new ATOM 0 HD3 ARG A 495 -10.325 -16.754 24.025 1.00 41.33 H new ATOM 0 HE ARG A 495 -10.486 -15.635 21.497 1.00 45.15 H new ATOM 0 HH11 ARG A 495 -12.823 -16.732 23.903 1.00 51.30 H new ATOM 0 HH12 ARG A 495 -14.048 -15.554 23.420 1.00 51.30 H new ATOM 0 HH21 ARG A 495 -12.063 -14.124 20.881 1.00 32.02 H new ATOM 0 HH22 ARG A 495 -13.619 -14.084 21.716 1.00 32.02 H new ATOM 254 N ASP A 496 -7.161 -20.023 22.784 1.00 32.12 N ATOM 255 CA ASP A 496 -6.941 -21.259 23.526 1.00 3.15 C ATOM 256 C ASP A 496 -5.539 -21.804 23.270 1.00 74.45 C ATOM 257 O ASP A 496 -5.038 -22.636 24.026 1.00 3.35 O ATOM 258 CB ASP A 496 -7.987 -22.305 23.140 1.00 55.21 C ATOM 259 CG ASP A 496 -8.198 -23.342 24.226 1.00 52.25 C ATOM 260 OD1 ASP A 496 -7.625 -23.177 25.322 1.00 4.12 O ATOM 261 OD2 ASP A 496 -8.936 -24.319 23.978 1.00 12.33 O ATOM 0 H ASP A 496 -7.861 -20.093 22.046 1.00 32.12 H new ATOM 0 HA ASP A 496 -7.037 -21.037 24.589 1.00 3.15 H new ATOM 0 HB2 ASP A 496 -8.933 -21.807 22.928 1.00 55.21 H new ATOM 0 HB3 ASP A 496 -7.677 -22.803 22.222 1.00 55.21 H new ATOM 266 N ASP A 497 -4.914 -21.332 22.197 1.00 2.01 N ATOM 267 CA ASP A 497 -3.570 -21.772 21.840 1.00 72.21 C ATOM 268 C ASP A 497 -2.519 -20.823 22.407 1.00 62.32 C ATOM 269 O ASP A 497 -1.470 -21.256 22.883 1.00 10.40 O ATOM 270 CB ASP A 497 -3.427 -21.862 20.320 1.00 72.32 C ATOM 271 CG ASP A 497 -2.283 -22.764 19.898 1.00 13.43 C ATOM 272 OD1 ASP A 497 -1.188 -22.646 20.486 1.00 10.50 O ATOM 273 OD2 ASP A 497 -2.483 -23.586 18.980 1.00 31.51 O ATOM 0 H ASP A 497 -5.316 -20.645 21.559 1.00 2.01 H new ATOM 0 HA ASP A 497 -3.411 -22.760 22.271 1.00 72.21 H new ATOM 0 HB2 ASP A 497 -4.357 -22.236 19.892 1.00 72.32 H new ATOM 0 HB3 ASP A 497 -3.267 -20.863 19.913 1.00 72.32 H new ATOM 278 N GLY A 498 -2.807 -19.527 22.351 1.00 53.53 N ATOM 279 CA GLY A 498 -1.876 -18.537 22.861 1.00 55.23 C ATOM 280 C GLY A 498 -1.665 -17.388 21.895 1.00 54.40 C ATOM 281 O GLY A 498 -0.568 -16.837 21.804 1.00 12.45 O ATOM 0 H GLY A 498 -3.669 -19.144 21.962 1.00 53.53 H new ATOM 0 HA2 GLY A 498 -2.248 -18.147 23.809 1.00 55.23 H new ATOM 0 HA3 GLY A 498 -0.918 -19.015 23.067 1.00 55.23 H new ATOM 285 N VAL A 499 -2.719 -17.025 21.169 1.00 25.33 N ATOM 286 CA VAL A 499 -2.644 -15.935 20.205 1.00 44.44 C ATOM 287 C VAL A 499 -3.868 -15.031 20.300 1.00 30.42 C ATOM 288 O VAL A 499 -4.959 -15.483 20.646 1.00 21.43 O ATOM 289 CB VAL A 499 -2.523 -16.467 18.764 1.00 1.42 C ATOM 290 CG1 VAL A 499 -3.879 -16.924 18.248 1.00 2.23 C ATOM 291 CG2 VAL A 499 -1.927 -15.405 17.853 1.00 42.53 C ATOM 0 H VAL A 499 -3.634 -17.471 21.231 1.00 25.33 H new ATOM 0 HA VAL A 499 -1.751 -15.359 20.448 1.00 44.44 H new ATOM 0 HB VAL A 499 -1.854 -17.327 18.767 1.00 1.42 H new ATOM 0 HG11 VAL A 499 -3.774 -17.296 17.229 1.00 2.23 H new ATOM 0 HG12 VAL A 499 -4.262 -17.719 18.887 1.00 2.23 H new ATOM 0 HG13 VAL A 499 -4.574 -16.084 18.257 1.00 2.23 H new ATOM 0 HG21 VAL A 499 -1.849 -15.798 16.839 1.00 42.53 H new ATOM 0 HG22 VAL A 499 -2.569 -14.524 17.852 1.00 42.53 H new ATOM 0 HG23 VAL A 499 -0.936 -15.131 18.214 1.00 42.53 H new ATOM 301 N GLU A 500 -3.679 -13.752 19.990 1.00 21.54 N ATOM 302 CA GLU A 500 -4.769 -12.785 20.042 1.00 71.50 C ATOM 303 C GLU A 500 -4.884 -12.024 18.724 1.00 20.33 C ATOM 304 O GLU A 500 -4.202 -12.341 17.750 1.00 64.21 O ATOM 305 CB GLU A 500 -4.554 -11.802 21.195 1.00 72.25 C ATOM 306 CG GLU A 500 -4.055 -12.459 22.470 1.00 22.52 C ATOM 307 CD GLU A 500 -4.474 -11.706 23.717 1.00 34.15 C ATOM 308 OE1 GLU A 500 -4.798 -10.505 23.605 1.00 30.43 O ATOM 309 OE2 GLU A 500 -4.479 -12.318 24.806 1.00 32.31 O ATOM 0 H GLU A 500 -2.782 -13.362 19.701 1.00 21.54 H new ATOM 0 HA GLU A 500 -5.698 -13.331 20.209 1.00 71.50 H new ATOM 0 HB2 GLU A 500 -3.838 -11.041 20.884 1.00 72.25 H new ATOM 0 HB3 GLU A 500 -5.493 -11.289 21.404 1.00 72.25 H new ATOM 0 HG2 GLU A 500 -4.435 -13.479 22.521 1.00 22.52 H new ATOM 0 HG3 GLU A 500 -2.967 -12.525 22.438 1.00 22.52 H new ATOM 316 N VAL A 501 -5.753 -11.019 18.702 1.00 1.45 N ATOM 317 CA VAL A 501 -5.958 -10.211 17.506 1.00 61.32 C ATOM 318 C VAL A 501 -4.815 -9.222 17.308 1.00 12.32 C ATOM 319 O VAL A 501 -4.436 -8.913 16.178 1.00 30.22 O ATOM 320 CB VAL A 501 -7.288 -9.437 17.572 1.00 5.33 C ATOM 321 CG1 VAL A 501 -7.455 -8.557 16.343 1.00 0.41 C ATOM 322 CG2 VAL A 501 -8.458 -10.399 17.713 1.00 45.41 C ATOM 0 H VAL A 501 -6.327 -10.745 19.499 1.00 1.45 H new ATOM 0 HA VAL A 501 -5.989 -10.899 16.661 1.00 61.32 H new ATOM 0 HB VAL A 501 -7.270 -8.792 18.451 1.00 5.33 H new ATOM 0 HG11 VAL A 501 -8.400 -8.018 16.407 1.00 0.41 H new ATOM 0 HG12 VAL A 501 -6.633 -7.843 16.292 1.00 0.41 H new ATOM 0 HG13 VAL A 501 -7.452 -9.178 15.447 1.00 0.41 H new ATOM 0 HG21 VAL A 501 -9.390 -9.835 17.758 1.00 45.41 H new ATOM 0 HG22 VAL A 501 -8.482 -11.071 16.855 1.00 45.41 H new ATOM 0 HG23 VAL A 501 -8.342 -10.981 18.627 1.00 45.41 H new ATOM 332 N ARG A 502 -4.270 -8.727 18.415 1.00 63.43 N ATOM 333 CA ARG A 502 -3.170 -7.772 18.363 1.00 10.43 C ATOM 334 C ARG A 502 -1.826 -8.492 18.303 1.00 51.21 C ATOM 335 O ARG A 502 -0.773 -7.858 18.228 1.00 40.05 O ATOM 336 CB ARG A 502 -3.211 -6.848 19.582 1.00 35.12 C ATOM 337 CG ARG A 502 -3.153 -7.588 20.909 1.00 55.42 C ATOM 338 CD ARG A 502 -2.669 -6.682 22.031 1.00 70.25 C ATOM 339 NE ARG A 502 -2.126 -7.443 23.152 1.00 31.44 N ATOM 340 CZ ARG A 502 -1.825 -6.905 24.329 1.00 55.11 C ATOM 341 NH1 ARG A 502 -2.014 -5.609 24.536 1.00 35.03 N ATOM 342 NH2 ARG A 502 -1.335 -7.663 25.301 1.00 32.12 N ATOM 0 H ARG A 502 -4.572 -8.972 19.358 1.00 63.43 H new ATOM 0 HA ARG A 502 -3.283 -7.175 17.458 1.00 10.43 H new ATOM 0 HB2 ARG A 502 -2.375 -6.151 19.527 1.00 35.12 H new ATOM 0 HB3 ARG A 502 -4.124 -6.254 19.547 1.00 35.12 H new ATOM 0 HG2 ARG A 502 -4.142 -7.976 21.154 1.00 55.42 H new ATOM 0 HG3 ARG A 502 -2.487 -8.446 20.820 1.00 55.42 H new ATOM 0 HD2 ARG A 502 -1.905 -6.006 21.647 1.00 70.25 H new ATOM 0 HD3 ARG A 502 -3.496 -6.063 22.379 1.00 70.25 H new ATOM 0 HE ARG A 502 -1.969 -8.443 23.025 1.00 31.44 H new ATOM 0 HH11 ARG A 502 -2.391 -5.023 23.791 1.00 35.03 H new ATOM 0 HH12 ARG A 502 -1.782 -5.198 25.440 1.00 35.03 H new ATOM 0 HH21 ARG A 502 -1.189 -8.660 25.145 1.00 32.12 H new ATOM 0 HH22 ARG A 502 -1.104 -7.248 26.204 1.00 32.12 H new ATOM 356 N HIS A 503 -1.870 -9.820 18.337 1.00 12.11 N ATOM 357 CA HIS A 503 -0.656 -10.627 18.286 1.00 10.32 C ATOM 358 C HIS A 503 -0.200 -10.831 16.845 1.00 63.23 C ATOM 359 O HIS A 503 0.922 -10.475 16.482 1.00 10.04 O ATOM 360 CB HIS A 503 -0.890 -11.981 18.956 1.00 2.14 C ATOM 361 CG HIS A 503 0.336 -12.548 19.604 1.00 71.44 C ATOM 362 ND1 HIS A 503 1.596 -12.440 19.054 1.00 71.21 N ATOM 363 CD2 HIS A 503 0.490 -13.231 20.762 1.00 11.13 C ATOM 364 CE1 HIS A 503 2.472 -13.033 19.846 1.00 74.14 C ATOM 365 NE2 HIS A 503 1.826 -13.521 20.890 1.00 41.23 N ATOM 0 H HIS A 503 -2.733 -10.360 18.400 1.00 12.11 H new ATOM 0 HA HIS A 503 0.128 -10.095 18.825 1.00 10.32 H new ATOM 0 HB2 HIS A 503 -1.672 -11.875 19.708 1.00 2.14 H new ATOM 0 HB3 HIS A 503 -1.257 -12.687 18.211 1.00 2.14 H new ATOM 0 HD2 HIS A 503 -0.293 -13.498 21.457 1.00 11.13 H new ATOM 0 HE1 HIS A 503 3.535 -13.106 19.670 1.00 74.14 H new ATOM 0 HE2 HIS A 503 2.251 -14.030 21.665 1.00 41.23 H new ATOM 373 N ILE A 504 -1.075 -11.407 16.028 1.00 34.11 N ATOM 374 CA ILE A 504 -0.762 -11.658 14.627 1.00 61.30 C ATOM 375 C ILE A 504 -0.728 -10.359 13.830 1.00 44.22 C ATOM 376 O ILE A 504 -0.058 -10.267 12.801 1.00 52.53 O ATOM 377 CB ILE A 504 -1.784 -12.615 13.984 1.00 5.12 C ATOM 378 CG1 ILE A 504 -3.076 -11.867 13.651 1.00 42.35 C ATOM 379 CG2 ILE A 504 -2.068 -13.787 14.912 1.00 40.14 C ATOM 380 CD1 ILE A 504 -3.883 -11.481 14.870 1.00 2.04 C ATOM 0 H ILE A 504 -2.007 -11.709 16.312 1.00 34.11 H new ATOM 0 HA ILE A 504 0.224 -12.122 14.603 1.00 61.30 H new ATOM 0 HB ILE A 504 -1.363 -13.004 13.057 1.00 5.12 H new ATOM 0 HG12 ILE A 504 -2.830 -10.966 13.088 1.00 42.35 H new ATOM 0 HG13 ILE A 504 -3.690 -12.491 13.002 1.00 42.35 H new ATOM 0 HG21 ILE A 504 -2.792 -14.454 14.444 1.00 40.14 H new ATOM 0 HG22 ILE A 504 -1.143 -14.331 15.104 1.00 40.14 H new ATOM 0 HG23 ILE A 504 -2.473 -13.416 15.854 1.00 40.14 H new ATOM 0 HD11 ILE A 504 -4.785 -10.954 14.558 1.00 2.04 H new ATOM 0 HD12 ILE A 504 -4.160 -12.379 15.422 1.00 2.04 H new ATOM 0 HD13 ILE A 504 -3.287 -10.831 15.510 1.00 2.04 H new ATOM 392 N VAL A 505 -1.453 -9.355 14.313 1.00 22.12 N ATOM 393 CA VAL A 505 -1.503 -8.059 13.648 1.00 55.33 C ATOM 394 C VAL A 505 -0.269 -7.225 13.973 1.00 32.24 C ATOM 395 O VAL A 505 0.477 -6.827 13.080 1.00 23.03 O ATOM 396 CB VAL A 505 -2.763 -7.270 14.051 1.00 53.21 C ATOM 397 CG1 VAL A 505 -2.679 -5.836 13.550 1.00 4.14 C ATOM 398 CG2 VAL A 505 -4.013 -7.955 13.520 1.00 33.43 C ATOM 0 H VAL A 505 -2.014 -9.415 15.163 1.00 22.12 H new ATOM 0 HA VAL A 505 -1.533 -8.255 12.576 1.00 55.33 H new ATOM 0 HB VAL A 505 -2.823 -7.247 15.139 1.00 53.21 H new ATOM 0 HG11 VAL A 505 -3.578 -5.294 13.844 1.00 4.14 H new ATOM 0 HG12 VAL A 505 -1.805 -5.350 13.983 1.00 4.14 H new ATOM 0 HG13 VAL A 505 -2.594 -5.835 12.463 1.00 4.14 H new ATOM 0 HG21 VAL A 505 -4.894 -7.384 13.814 1.00 33.43 H new ATOM 0 HG22 VAL A 505 -3.963 -8.011 12.433 1.00 33.43 H new ATOM 0 HG23 VAL A 505 -4.079 -8.962 13.932 1.00 33.43 H new ATOM 408 N GLY A 506 -0.060 -6.965 15.261 1.00 53.25 N ATOM 409 CA GLY A 506 1.085 -6.180 15.682 1.00 23.01 C ATOM 410 C GLY A 506 2.402 -6.819 15.289 1.00 63.21 C ATOM 411 O GLY A 506 3.430 -6.146 15.218 1.00 0.03 O ATOM 0 H GLY A 506 -0.663 -7.284 16.019 1.00 53.25 H new ATOM 0 HA2 GLY A 506 1.022 -5.185 15.241 1.00 23.01 H new ATOM 0 HA3 GLY A 506 1.056 -6.052 16.764 1.00 23.01 H new ATOM 415 N ALA A 507 2.373 -8.123 15.034 1.00 74.23 N ATOM 416 CA ALA A 507 3.573 -8.853 14.645 1.00 30.24 C ATOM 417 C ALA A 507 3.958 -8.548 13.202 1.00 62.02 C ATOM 418 O ALA A 507 5.051 -8.048 12.934 1.00 61.12 O ATOM 419 CB ALA A 507 3.365 -10.349 14.833 1.00 2.44 C ATOM 0 H ALA A 507 1.531 -8.696 15.090 1.00 74.23 H new ATOM 0 HA ALA A 507 4.391 -8.527 15.288 1.00 30.24 H new ATOM 0 HB1 ALA A 507 4.269 -10.882 14.539 1.00 2.44 H new ATOM 0 HB2 ALA A 507 3.146 -10.557 15.880 1.00 2.44 H new ATOM 0 HB3 ALA A 507 2.531 -10.681 14.215 1.00 2.44 H new ATOM 425 N ILE A 508 3.055 -8.853 12.276 1.00 12.53 N ATOM 426 CA ILE A 508 3.301 -8.610 10.860 1.00 31.03 C ATOM 427 C ILE A 508 3.324 -7.116 10.554 1.00 22.42 C ATOM 428 O ILE A 508 3.983 -6.676 9.613 1.00 53.52 O ATOM 429 CB ILE A 508 2.234 -9.287 9.979 1.00 10.45 C ATOM 430 CG1 ILE A 508 0.843 -8.748 10.321 1.00 42.45 C ATOM 431 CG2 ILE A 508 2.281 -10.797 10.157 1.00 52.13 C ATOM 432 CD1 ILE A 508 0.446 -7.540 9.501 1.00 14.22 C ATOM 0 H ILE A 508 2.146 -9.269 12.481 1.00 12.53 H new ATOM 0 HA ILE A 508 4.276 -9.040 10.631 1.00 31.03 H new ATOM 0 HB ILE A 508 2.446 -9.057 8.935 1.00 10.45 H new ATOM 0 HG12 ILE A 508 0.108 -9.538 10.168 1.00 42.45 H new ATOM 0 HG13 ILE A 508 0.814 -8.485 11.378 1.00 42.45 H new ATOM 0 HG21 ILE A 508 1.521 -11.261 9.528 1.00 52.13 H new ATOM 0 HG22 ILE A 508 3.265 -11.167 9.870 1.00 52.13 H new ATOM 0 HG23 ILE A 508 2.090 -11.046 11.201 1.00 52.13 H new ATOM 0 HD11 ILE A 508 -0.551 -7.211 9.796 1.00 14.22 H new ATOM 0 HD12 ILE A 508 1.159 -6.734 9.672 1.00 14.22 H new ATOM 0 HD13 ILE A 508 0.443 -7.803 8.443 1.00 14.22 H new ATOM 444 N ALA A 509 2.602 -6.342 11.357 1.00 31.14 N ATOM 445 CA ALA A 509 2.543 -4.897 11.175 1.00 34.11 C ATOM 446 C ALA A 509 3.840 -4.233 11.624 1.00 60.40 C ATOM 447 O ALA A 509 4.186 -3.148 11.159 1.00 20.22 O ATOM 448 CB ALA A 509 1.360 -4.317 11.937 1.00 71.24 C ATOM 0 H ALA A 509 2.050 -6.691 12.140 1.00 31.14 H new ATOM 0 HA ALA A 509 2.411 -4.695 10.112 1.00 34.11 H new ATOM 0 HB1 ALA A 509 1.328 -3.237 11.792 1.00 71.24 H new ATOM 0 HB2 ALA A 509 0.436 -4.760 11.566 1.00 71.24 H new ATOM 0 HB3 ALA A 509 1.468 -4.538 12.999 1.00 71.24 H new ATOM 454 N ASN A 510 4.554 -4.893 12.531 1.00 54.30 N ATOM 455 CA ASN A 510 5.813 -4.365 13.044 1.00 71.23 C ATOM 456 C ASN A 510 7.000 -4.979 12.308 1.00 72.35 C ATOM 457 O ASN A 510 8.071 -4.379 12.228 1.00 11.10 O ATOM 458 CB ASN A 510 5.932 -4.640 14.544 1.00 14.32 C ATOM 459 CG ASN A 510 5.064 -3.712 15.372 1.00 10.41 C ATOM 460 OD1 ASN A 510 4.189 -3.026 14.843 1.00 12.25 O ATOM 461 ND2 ASN A 510 5.304 -3.686 16.678 1.00 53.10 N ATOM 0 H ASN A 510 4.282 -5.794 12.925 1.00 54.30 H new ATOM 0 HA ASN A 510 5.821 -3.288 12.877 1.00 71.23 H new ATOM 0 HB2 ASN A 510 5.649 -5.673 14.745 1.00 14.32 H new ATOM 0 HB3 ASN A 510 6.972 -4.529 14.850 1.00 14.32 H new ATOM 0 HD21 ASN A 510 4.753 -3.080 17.286 1.00 53.10 H new ATOM 0 HD22 ASN A 510 6.040 -4.272 17.073 1.00 53.10 H new ATOM 468 N GLU A 511 6.800 -6.179 11.771 1.00 40.03 N ATOM 469 CA GLU A 511 7.854 -6.874 11.041 1.00 2.14 C ATOM 470 C GLU A 511 8.175 -6.156 9.734 1.00 42.04 C ATOM 471 O GLU A 511 9.333 -6.078 9.324 1.00 55.43 O ATOM 472 CB GLU A 511 7.439 -8.318 10.754 1.00 24.53 C ATOM 473 CG GLU A 511 7.714 -9.271 11.906 1.00 45.03 C ATOM 474 CD GLU A 511 9.186 -9.345 12.262 1.00 24.34 C ATOM 475 OE1 GLU A 511 9.926 -10.085 11.580 1.00 3.53 O ATOM 476 OE2 GLU A 511 9.598 -8.663 13.224 1.00 22.33 O ATOM 0 H GLU A 511 5.919 -6.689 11.828 1.00 40.03 H new ATOM 0 HA GLU A 511 8.749 -6.878 11.663 1.00 2.14 H new ATOM 0 HB2 GLU A 511 6.375 -8.342 10.520 1.00 24.53 H new ATOM 0 HB3 GLU A 511 7.968 -8.670 9.868 1.00 24.53 H new ATOM 0 HG2 GLU A 511 7.148 -8.951 12.781 1.00 45.03 H new ATOM 0 HG3 GLU A 511 7.357 -10.267 11.642 1.00 45.03 H new ATOM 483 N GLY A 512 7.140 -5.633 9.083 1.00 63.34 N ATOM 484 CA GLY A 512 7.332 -4.929 7.828 1.00 31.41 C ATOM 485 C GLY A 512 6.711 -3.547 7.838 1.00 10.44 C ATOM 486 O GLY A 512 6.685 -2.878 8.872 1.00 44.02 O ATOM 0 H GLY A 512 6.173 -5.684 9.402 1.00 63.34 H new ATOM 0 HA2 GLY A 512 8.399 -4.843 7.623 1.00 31.41 H new ATOM 0 HA3 GLY A 512 6.897 -5.513 7.017 1.00 31.41 H new ATOM 490 N ASP A 513 6.211 -3.116 6.686 1.00 73.04 N ATOM 491 CA ASP A 513 5.587 -1.803 6.566 1.00 63.15 C ATOM 492 C ASP A 513 4.088 -1.887 6.834 1.00 52.05 C ATOM 493 O ASP A 513 3.421 -0.867 7.008 1.00 12.32 O ATOM 494 CB ASP A 513 5.837 -1.222 5.173 1.00 4.32 C ATOM 495 CG ASP A 513 5.835 0.294 5.170 1.00 52.42 C ATOM 496 OD1 ASP A 513 6.422 0.886 4.241 1.00 43.25 O ATOM 497 OD2 ASP A 513 5.246 0.889 6.097 1.00 10.11 O ATOM 0 H ASP A 513 6.225 -3.657 5.821 1.00 73.04 H new ATOM 0 HA ASP A 513 6.034 -1.146 7.311 1.00 63.15 H new ATOM 0 HB2 ASP A 513 6.795 -1.582 4.799 1.00 4.32 H new ATOM 0 HB3 ASP A 513 5.071 -1.585 4.488 1.00 4.32 H new ATOM 502 N ILE A 514 3.565 -3.108 6.863 1.00 13.05 N ATOM 503 CA ILE A 514 2.145 -3.324 7.110 1.00 35.20 C ATOM 504 C ILE A 514 1.685 -2.586 8.363 1.00 65.20 C ATOM 505 O ILE A 514 2.419 -2.498 9.348 1.00 72.22 O ATOM 506 CB ILE A 514 1.821 -4.822 7.263 1.00 64.31 C ATOM 507 CG1 ILE A 514 2.242 -5.588 6.007 1.00 51.23 C ATOM 508 CG2 ILE A 514 0.338 -5.019 7.538 1.00 50.31 C ATOM 509 CD1 ILE A 514 2.457 -7.066 6.244 1.00 61.23 C ATOM 0 H ILE A 514 4.103 -3.962 6.719 1.00 13.05 H new ATOM 0 HA ILE A 514 1.612 -2.932 6.244 1.00 35.20 H new ATOM 0 HB ILE A 514 2.382 -5.215 8.111 1.00 64.31 H new ATOM 0 HG12 ILE A 514 1.479 -5.459 5.240 1.00 51.23 H new ATOM 0 HG13 ILE A 514 3.163 -5.153 5.618 1.00 51.23 H new ATOM 0 HG21 ILE A 514 0.126 -6.083 7.643 1.00 50.31 H new ATOM 0 HG22 ILE A 514 0.067 -4.502 8.458 1.00 50.31 H new ATOM 0 HG23 ILE A 514 -0.243 -4.614 6.709 1.00 50.31 H new ATOM 0 HD11 ILE A 514 2.753 -7.545 5.311 1.00 61.23 H new ATOM 0 HD12 ILE A 514 3.241 -7.205 6.988 1.00 61.23 H new ATOM 0 HD13 ILE A 514 1.531 -7.515 6.604 1.00 61.23 H new ATOM 521 N SER A 515 0.466 -2.058 8.319 1.00 23.51 N ATOM 522 CA SER A 515 -0.091 -1.326 9.450 1.00 3.12 C ATOM 523 C SER A 515 -1.309 -2.048 10.018 1.00 10.20 C ATOM 524 O SER A 515 -1.945 -2.849 9.333 1.00 23.01 O ATOM 525 CB SER A 515 -0.476 0.093 9.026 1.00 30.34 C ATOM 526 OG SER A 515 -0.445 0.981 10.130 1.00 34.22 O ATOM 0 H SER A 515 -0.155 -2.124 7.512 1.00 23.51 H new ATOM 0 HA SER A 515 0.671 -1.271 10.227 1.00 3.12 H new ATOM 0 HB2 SER A 515 0.209 0.444 8.254 1.00 30.34 H new ATOM 0 HB3 SER A 515 -1.474 0.087 8.588 1.00 30.34 H new ATOM 0 HG SER A 515 -0.693 1.881 9.833 1.00 34.22 H new ATOM 532 N SER A 516 -1.628 -1.757 11.275 1.00 33.42 N ATOM 533 CA SER A 516 -2.768 -2.381 11.938 1.00 3.10 C ATOM 534 C SER A 516 -4.061 -2.091 11.183 1.00 51.33 C ATOM 535 O SER A 516 -5.032 -2.841 11.281 1.00 12.03 O ATOM 536 CB SER A 516 -2.882 -1.881 13.379 1.00 34.14 C ATOM 537 OG SER A 516 -3.746 -2.709 14.139 1.00 24.22 O ATOM 0 H SER A 516 -1.114 -1.094 11.855 1.00 33.42 H new ATOM 0 HA SER A 516 -2.607 -3.459 11.946 1.00 3.10 H new ATOM 0 HB2 SER A 516 -1.894 -1.861 13.840 1.00 34.14 H new ATOM 0 HB3 SER A 516 -3.257 -0.857 13.384 1.00 34.14 H new ATOM 0 HG SER A 516 -3.801 -2.369 15.057 1.00 24.22 H new ATOM 543 N ARG A 517 -4.066 -0.996 10.428 1.00 24.45 N ATOM 544 CA ARG A 517 -5.239 -0.605 9.657 1.00 71.11 C ATOM 545 C ARG A 517 -5.147 -1.126 8.226 1.00 73.43 C ATOM 546 O ARG A 517 -6.151 -1.521 7.633 1.00 74.54 O ATOM 547 CB ARG A 517 -5.385 0.918 9.648 1.00 75.40 C ATOM 548 CG ARG A 517 -4.142 1.646 9.165 1.00 1.24 C ATOM 549 CD ARG A 517 -4.375 3.146 9.075 1.00 2.23 C ATOM 550 NE ARG A 517 -3.141 3.904 9.263 1.00 45.04 N ATOM 551 CZ ARG A 517 -3.056 5.221 9.110 1.00 73.14 C ATOM 552 NH1 ARG A 517 -4.129 5.922 8.769 1.00 2.03 N ATOM 553 NH2 ARG A 517 -1.897 5.839 9.298 1.00 53.02 N ATOM 0 H ARG A 517 -3.270 -0.365 10.335 1.00 24.45 H new ATOM 0 HA ARG A 517 -6.117 -1.045 10.130 1.00 71.11 H new ATOM 0 HB2 ARG A 517 -6.226 1.190 9.010 1.00 75.40 H new ATOM 0 HB3 ARG A 517 -5.626 1.257 10.655 1.00 75.40 H new ATOM 0 HG2 ARG A 517 -3.314 1.445 9.845 1.00 1.24 H new ATOM 0 HG3 ARG A 517 -3.851 1.262 8.187 1.00 1.24 H new ATOM 0 HD2 ARG A 517 -4.805 3.388 8.103 1.00 2.23 H new ATOM 0 HD3 ARG A 517 -5.103 3.446 9.829 1.00 2.23 H new ATOM 0 HE ARG A 517 -2.298 3.394 9.526 1.00 45.04 H new ATOM 0 HH11 ARG A 517 -5.022 5.450 8.624 1.00 2.03 H new ATOM 0 HH12 ARG A 517 -4.062 6.933 8.652 1.00 2.03 H new ATOM 0 HH21 ARG A 517 -1.070 5.303 9.560 1.00 53.02 H new ATOM 0 HH22 ARG A 517 -1.833 6.850 9.180 1.00 53.02 H new ATOM 567 N TYR A 518 -3.938 -1.124 7.677 1.00 4.33 N ATOM 568 CA TYR A 518 -3.715 -1.593 6.315 1.00 60.30 C ATOM 569 C TYR A 518 -4.221 -3.022 6.142 1.00 62.22 C ATOM 570 O TYR A 518 -4.825 -3.359 5.123 1.00 20.31 O ATOM 571 CB TYR A 518 -2.228 -1.521 5.965 1.00 43.02 C ATOM 572 CG TYR A 518 -1.947 -0.811 4.660 1.00 62.34 C ATOM 573 CD1 TYR A 518 -2.455 -1.295 3.460 1.00 12.41 C ATOM 574 CD2 TYR A 518 -1.172 0.342 4.625 1.00 34.35 C ATOM 575 CE1 TYR A 518 -2.201 -0.650 2.265 1.00 24.00 C ATOM 576 CE2 TYR A 518 -0.914 0.994 3.435 1.00 20.34 C ATOM 577 CZ TYR A 518 -1.430 0.494 2.258 1.00 70.11 C ATOM 578 OH TYR A 518 -1.174 1.140 1.070 1.00 23.41 O ATOM 0 H TYR A 518 -3.096 -0.802 8.155 1.00 4.33 H new ATOM 0 HA TYR A 518 -4.272 -0.945 5.639 1.00 60.30 H new ATOM 0 HB2 TYR A 518 -1.699 -1.009 6.769 1.00 43.02 H new ATOM 0 HB3 TYR A 518 -1.826 -2.533 5.912 1.00 43.02 H new ATOM 0 HD1 TYR A 518 -3.059 -2.191 3.462 1.00 12.41 H new ATOM 0 HD2 TYR A 518 -0.764 0.735 5.545 1.00 34.35 H new ATOM 0 HE1 TYR A 518 -2.604 -1.039 1.342 1.00 24.00 H new ATOM 0 HE2 TYR A 518 -0.312 1.890 3.426 1.00 20.34 H new ATOM 0 HH TYR A 518 -0.617 1.929 1.240 1.00 23.41 H new ATOM 588 N ILE A 519 -3.970 -3.857 7.144 1.00 23.24 N ATOM 589 CA ILE A 519 -4.401 -5.249 7.105 1.00 64.12 C ATOM 590 C ILE A 519 -5.884 -5.356 6.770 1.00 54.11 C ATOM 591 O ILE A 519 -6.687 -4.523 7.188 1.00 34.01 O ATOM 592 CB ILE A 519 -4.136 -5.959 8.446 1.00 50.32 C ATOM 593 CG1 ILE A 519 -2.644 -5.918 8.784 1.00 73.55 C ATOM 594 CG2 ILE A 519 -4.634 -7.395 8.392 1.00 20.32 C ATOM 595 CD1 ILE A 519 -2.363 -5.646 10.245 1.00 44.15 C ATOM 0 H ILE A 519 -3.470 -3.594 7.993 1.00 23.24 H new ATOM 0 HA ILE A 519 -3.818 -5.738 6.324 1.00 64.12 H new ATOM 0 HB ILE A 519 -4.681 -5.436 9.232 1.00 50.32 H new ATOM 0 HG12 ILE A 519 -2.190 -6.869 8.506 1.00 73.55 H new ATOM 0 HG13 ILE A 519 -2.164 -5.148 8.180 1.00 73.55 H new ATOM 0 HG21 ILE A 519 -4.440 -7.884 9.347 1.00 20.32 H new ATOM 0 HG22 ILE A 519 -5.706 -7.401 8.193 1.00 20.32 H new ATOM 0 HG23 ILE A 519 -4.114 -7.931 7.598 1.00 20.32 H new ATOM 0 HD11 ILE A 519 -1.286 -5.631 10.412 1.00 44.15 H new ATOM 0 HD12 ILE A 519 -2.787 -4.681 10.524 1.00 44.15 H new ATOM 0 HD13 ILE A 519 -2.814 -6.430 10.854 1.00 44.15 H new ATOM 607 N GLY A 520 -6.242 -6.389 6.013 1.00 31.23 N ATOM 608 CA GLY A 520 -7.629 -6.588 5.636 1.00 14.44 C ATOM 609 C GLY A 520 -8.482 -7.066 6.795 1.00 52.04 C ATOM 610 O GLY A 520 -8.574 -6.398 7.824 1.00 62.32 O ATOM 0 H GLY A 520 -5.596 -7.092 5.654 1.00 31.23 H new ATOM 0 HA2 GLY A 520 -8.036 -5.653 5.251 1.00 14.44 H new ATOM 0 HA3 GLY A 520 -7.681 -7.316 4.826 1.00 14.44 H new ATOM 614 N ASN A 521 -9.110 -8.225 6.626 1.00 24.52 N ATOM 615 CA ASN A 521 -9.962 -8.792 7.666 1.00 44.53 C ATOM 616 C ASN A 521 -9.178 -9.763 8.542 1.00 24.52 C ATOM 617 O ASN A 521 -8.518 -10.674 8.040 1.00 32.21 O ATOM 618 CB ASN A 521 -11.160 -9.506 7.039 1.00 75.14 C ATOM 619 CG ASN A 521 -12.230 -8.538 6.569 1.00 24.43 C ATOM 620 OD1 ASN A 521 -12.529 -7.553 7.243 1.00 14.41 O ATOM 621 ND2 ASN A 521 -12.811 -8.817 5.408 1.00 4.40 N ATOM 0 H ASN A 521 -9.045 -8.790 5.779 1.00 24.52 H new ATOM 0 HA ASN A 521 -10.321 -7.975 8.292 1.00 44.53 H new ATOM 0 HB2 ASN A 521 -10.821 -10.106 6.195 1.00 75.14 H new ATOM 0 HB3 ASN A 521 -11.591 -10.194 7.766 1.00 75.14 H new ATOM 0 HD21 ASN A 521 -13.538 -8.203 5.041 1.00 4.40 H new ATOM 0 HD22 ASN A 521 -12.530 -9.646 4.883 1.00 4.40 H new ATOM 628 N ILE A 522 -9.255 -9.563 9.853 1.00 21.45 N ATOM 629 CA ILE A 522 -8.554 -10.423 10.799 1.00 12.25 C ATOM 630 C ILE A 522 -9.534 -11.126 11.733 1.00 5.45 C ATOM 631 O ILE A 522 -10.466 -10.510 12.250 1.00 34.43 O ATOM 632 CB ILE A 522 -7.542 -9.625 11.642 1.00 45.21 C ATOM 633 CG1 ILE A 522 -6.684 -8.735 10.740 1.00 42.11 C ATOM 634 CG2 ILE A 522 -6.665 -10.569 12.451 1.00 13.04 C ATOM 635 CD1 ILE A 522 -7.040 -7.267 10.824 1.00 23.24 C ATOM 0 H ILE A 522 -9.795 -8.813 10.285 1.00 21.45 H new ATOM 0 HA ILE A 522 -8.018 -11.168 10.211 1.00 12.25 H new ATOM 0 HB ILE A 522 -8.091 -8.987 12.335 1.00 45.21 H new ATOM 0 HG12 ILE A 522 -5.635 -8.862 11.009 1.00 42.11 H new ATOM 0 HG13 ILE A 522 -6.791 -9.068 9.708 1.00 42.11 H new ATOM 0 HG21 ILE A 522 -5.955 -9.990 13.041 1.00 13.04 H new ATOM 0 HG22 ILE A 522 -7.289 -11.165 13.117 1.00 13.04 H new ATOM 0 HG23 ILE A 522 -6.121 -11.229 11.775 1.00 13.04 H new ATOM 0 HD11 ILE A 522 -6.392 -6.697 10.159 1.00 23.24 H new ATOM 0 HD12 ILE A 522 -8.079 -7.127 10.526 1.00 23.24 H new ATOM 0 HD13 ILE A 522 -6.906 -6.918 11.848 1.00 23.24 H new ATOM 647 N LYS A 523 -9.314 -12.418 11.948 1.00 73.55 N ATOM 648 CA LYS A 523 -10.175 -13.206 12.822 1.00 62.40 C ATOM 649 C LYS A 523 -9.375 -13.812 13.971 1.00 64.13 C ATOM 650 O LYS A 523 -8.176 -14.065 13.841 1.00 50.54 O ATOM 651 CB LYS A 523 -10.866 -14.316 12.027 1.00 64.44 C ATOM 652 CG LYS A 523 -12.023 -14.965 12.766 1.00 0.33 C ATOM 653 CD LYS A 523 -12.529 -16.198 12.038 1.00 74.32 C ATOM 654 CE LYS A 523 -13.304 -15.826 10.783 1.00 43.22 C ATOM 655 NZ LYS A 523 -14.033 -16.993 10.214 1.00 14.13 N ATOM 0 H LYS A 523 -8.546 -12.942 11.529 1.00 73.55 H new ATOM 0 HA LYS A 523 -10.932 -12.542 13.239 1.00 62.40 H new ATOM 0 HB2 LYS A 523 -11.232 -13.904 11.087 1.00 64.44 H new ATOM 0 HB3 LYS A 523 -10.132 -15.081 11.775 1.00 64.44 H new ATOM 0 HG2 LYS A 523 -11.705 -15.240 13.772 1.00 0.33 H new ATOM 0 HG3 LYS A 523 -12.835 -14.246 12.874 1.00 0.33 H new ATOM 0 HD2 LYS A 523 -11.686 -16.835 11.771 1.00 74.32 H new ATOM 0 HD3 LYS A 523 -13.169 -16.778 12.703 1.00 74.32 H new ATOM 0 HE2 LYS A 523 -14.014 -15.033 11.017 1.00 43.22 H new ATOM 0 HE3 LYS A 523 -12.617 -15.428 10.036 1.00 43.22 H new ATOM 0 HZ1 LYS A 523 -14.548 -16.698 9.360 1.00 14.13 H new ATOM 0 HZ2 LYS A 523 -13.353 -17.740 9.967 1.00 14.13 H new ATOM 0 HZ3 LYS A 523 -14.708 -17.357 10.917 1.00 14.13 H new ATOM 669 N LEU A 524 -10.044 -14.044 15.094 1.00 34.41 N ATOM 670 CA LEU A 524 -9.396 -14.623 16.266 1.00 42.40 C ATOM 671 C LEU A 524 -10.349 -15.550 17.014 1.00 45.23 C ATOM 672 O LEU A 524 -11.103 -15.112 17.883 1.00 71.33 O ATOM 673 CB LEU A 524 -8.906 -13.515 17.200 1.00 24.14 C ATOM 674 CG LEU A 524 -7.890 -13.935 18.264 1.00 41.34 C ATOM 675 CD1 LEU A 524 -8.564 -14.759 19.350 1.00 43.13 C ATOM 676 CD2 LEU A 524 -6.747 -14.715 17.631 1.00 71.21 C ATOM 0 H LEU A 524 -11.036 -13.840 15.219 1.00 34.41 H new ATOM 0 HA LEU A 524 -8.542 -15.209 15.926 1.00 42.40 H new ATOM 0 HB2 LEU A 524 -8.462 -12.726 16.593 1.00 24.14 H new ATOM 0 HB3 LEU A 524 -9.771 -13.082 17.703 1.00 24.14 H new ATOM 0 HG LEU A 524 -7.479 -13.035 18.722 1.00 41.34 H new ATOM 0 HD11 LEU A 524 -7.826 -15.049 20.098 1.00 43.13 H new ATOM 0 HD12 LEU A 524 -9.347 -14.166 19.823 1.00 43.13 H new ATOM 0 HD13 LEU A 524 -9.003 -15.653 18.908 1.00 43.13 H new ATOM 0 HD21 LEU A 524 -6.034 -15.006 18.402 1.00 71.21 H new ATOM 0 HD22 LEU A 524 -7.141 -15.608 17.146 1.00 71.21 H new ATOM 0 HD23 LEU A 524 -6.247 -14.091 16.891 1.00 71.21 H new ATOM 688 N PHE A 525 -10.307 -16.833 16.672 1.00 70.35 N ATOM 689 CA PHE A 525 -11.166 -17.823 17.311 1.00 23.22 C ATOM 690 C PHE A 525 -10.436 -18.516 18.458 1.00 20.22 C ATOM 691 O PHE A 525 -9.368 -18.077 18.884 1.00 32.00 O ATOM 692 CB PHE A 525 -11.634 -18.861 16.289 1.00 45.34 C ATOM 693 CG PHE A 525 -13.127 -18.933 16.148 1.00 12.22 C ATOM 694 CD1 PHE A 525 -13.942 -18.951 17.269 1.00 25.21 C ATOM 695 CD2 PHE A 525 -13.717 -18.982 14.895 1.00 10.34 C ATOM 696 CE1 PHE A 525 -15.316 -19.018 17.143 1.00 71.45 C ATOM 697 CE2 PHE A 525 -15.091 -19.049 14.763 1.00 52.44 C ATOM 698 CZ PHE A 525 -15.892 -19.066 15.888 1.00 42.21 C ATOM 0 H PHE A 525 -9.687 -17.212 15.956 1.00 70.35 H new ATOM 0 HA PHE A 525 -12.035 -17.305 17.716 1.00 23.22 H new ATOM 0 HB2 PHE A 525 -11.196 -18.627 15.319 1.00 45.34 H new ATOM 0 HB3 PHE A 525 -11.257 -19.841 16.580 1.00 45.34 H new ATOM 0 HD1 PHE A 525 -13.498 -18.912 18.253 1.00 25.21 H new ATOM 0 HD2 PHE A 525 -13.096 -18.968 14.012 1.00 10.34 H new ATOM 0 HE1 PHE A 525 -15.939 -19.033 18.025 1.00 71.45 H new ATOM 0 HE2 PHE A 525 -15.538 -19.088 13.781 1.00 52.44 H new ATOM 0 HZ PHE A 525 -16.966 -19.117 15.787 1.00 42.21 H new ATOM 708 N ALA A 526 -11.021 -19.602 18.954 1.00 51.41 N ATOM 709 CA ALA A 526 -10.427 -20.357 20.050 1.00 0.30 C ATOM 710 C ALA A 526 -9.096 -20.973 19.634 1.00 62.22 C ATOM 711 O ALA A 526 -8.092 -20.837 20.333 1.00 1.50 O ATOM 712 CB ALA A 526 -11.385 -21.438 20.527 1.00 55.14 C ATOM 0 H ALA A 526 -11.906 -19.978 18.614 1.00 51.41 H new ATOM 0 HA ALA A 526 -10.237 -19.667 20.872 1.00 0.30 H new ATOM 0 HB1 ALA A 526 -10.928 -21.994 21.346 1.00 55.14 H new ATOM 0 HB2 ALA A 526 -12.310 -20.977 20.873 1.00 55.14 H new ATOM 0 HB3 ALA A 526 -11.604 -22.119 19.704 1.00 55.14 H new ATOM 718 N SER A 527 -9.095 -21.653 18.491 1.00 1.44 N ATOM 719 CA SER A 527 -7.888 -22.294 17.984 1.00 24.35 C ATOM 720 C SER A 527 -7.723 -22.039 16.489 1.00 14.34 C ATOM 721 O SER A 527 -7.230 -22.893 15.752 1.00 3.22 O ATOM 722 CB SER A 527 -7.933 -23.800 18.254 1.00 1.51 C ATOM 723 OG SER A 527 -8.206 -24.065 19.619 1.00 21.20 O ATOM 0 H SER A 527 -9.917 -21.774 17.899 1.00 1.44 H new ATOM 0 HA SER A 527 -7.032 -21.864 18.504 1.00 24.35 H new ATOM 0 HB2 SER A 527 -8.698 -24.262 17.630 1.00 1.51 H new ATOM 0 HB3 SER A 527 -6.980 -24.251 17.976 1.00 1.51 H new ATOM 0 HG SER A 527 -8.231 -25.034 19.766 1.00 21.20 H new ATOM 729 N HIS A 528 -8.141 -20.856 16.048 1.00 31.32 N ATOM 730 CA HIS A 528 -8.040 -20.486 14.641 1.00 73.42 C ATOM 731 C HIS A 528 -8.027 -18.970 14.477 1.00 2.55 C ATOM 732 O HIS A 528 -8.403 -18.234 15.390 1.00 41.21 O ATOM 733 CB HIS A 528 -9.203 -21.086 13.850 1.00 52.14 C ATOM 734 CG HIS A 528 -8.950 -22.485 13.380 1.00 22.30 C ATOM 735 ND1 HIS A 528 -9.422 -23.599 14.043 1.00 44.41 N ATOM 736 CD2 HIS A 528 -8.271 -22.949 12.305 1.00 63.10 C ATOM 737 CE1 HIS A 528 -9.042 -24.687 13.397 1.00 50.31 C ATOM 738 NE2 HIS A 528 -8.343 -24.320 12.338 1.00 4.02 N ATOM 0 H HIS A 528 -8.552 -20.138 16.645 1.00 31.32 H new ATOM 0 HA HIS A 528 -7.102 -20.883 14.253 1.00 73.42 H new ATOM 0 HB2 HIS A 528 -10.098 -21.077 14.473 1.00 52.14 H new ATOM 0 HB3 HIS A 528 -9.409 -20.453 12.987 1.00 52.14 H new ATOM 0 HD2 HIS A 528 -7.766 -22.352 11.560 1.00 63.10 H new ATOM 0 HE1 HIS A 528 -9.265 -25.704 13.686 1.00 50.31 H new ATOM 0 HE2 HIS A 528 -7.925 -24.952 11.656 1.00 4.02 H new ATOM 746 N SER A 529 -7.590 -18.509 13.310 1.00 52.24 N ATOM 747 CA SER A 529 -7.523 -17.079 13.029 1.00 73.55 C ATOM 748 C SER A 529 -7.279 -16.829 11.544 1.00 52.35 C ATOM 749 O SER A 529 -6.810 -17.709 10.821 1.00 2.04 O ATOM 750 CB SER A 529 -6.415 -16.427 13.857 1.00 43.25 C ATOM 751 OG SER A 529 -5.946 -15.241 13.237 1.00 34.24 O ATOM 0 H SER A 529 -7.277 -19.104 12.543 1.00 52.24 H new ATOM 0 HA SER A 529 -8.480 -16.634 13.302 1.00 73.55 H new ATOM 0 HB2 SER A 529 -6.790 -16.196 14.854 1.00 43.25 H new ATOM 0 HB3 SER A 529 -5.589 -17.127 13.981 1.00 43.25 H new ATOM 0 HG SER A 529 -6.547 -14.498 13.454 1.00 34.24 H new ATOM 757 N THR A 530 -7.601 -15.620 11.093 1.00 75.10 N ATOM 758 CA THR A 530 -7.419 -15.252 9.695 1.00 72.03 C ATOM 759 C THR A 530 -6.797 -13.866 9.568 1.00 71.24 C ATOM 760 O THR A 530 -6.752 -13.105 10.534 1.00 23.05 O ATOM 761 CB THR A 530 -8.756 -15.275 8.929 1.00 44.40 C ATOM 762 OG1 THR A 530 -9.560 -14.154 9.314 1.00 45.24 O ATOM 763 CG2 THR A 530 -9.513 -16.566 9.201 1.00 51.54 C ATOM 0 H THR A 530 -7.989 -14.879 11.677 1.00 75.10 H new ATOM 0 HA THR A 530 -6.746 -15.990 9.259 1.00 72.03 H new ATOM 0 HB THR A 530 -8.540 -15.217 7.862 1.00 44.40 H new ATOM 0 HG1 THR A 530 -10.407 -14.175 8.822 1.00 45.24 H new ATOM 0 HG21 THR A 530 -10.453 -16.559 8.650 1.00 51.54 H new ATOM 0 HG22 THR A 530 -8.910 -17.416 8.880 1.00 51.54 H new ATOM 0 HG23 THR A 530 -9.719 -16.649 10.268 1.00 51.54 H new ATOM 771 N ILE A 531 -6.320 -13.545 8.370 1.00 42.30 N ATOM 772 CA ILE A 531 -5.702 -12.249 8.117 1.00 10.11 C ATOM 773 C ILE A 531 -5.373 -12.076 6.638 1.00 23.12 C ATOM 774 O ILE A 531 -4.971 -13.026 5.967 1.00 2.02 O ATOM 775 CB ILE A 531 -4.414 -12.068 8.943 1.00 75.33 C ATOM 776 CG1 ILE A 531 -3.717 -10.761 8.561 1.00 12.12 C ATOM 777 CG2 ILE A 531 -3.482 -13.252 8.735 1.00 20.44 C ATOM 778 CD1 ILE A 531 -2.742 -10.268 9.608 1.00 72.44 C ATOM 0 H ILE A 531 -6.350 -14.164 7.560 1.00 42.30 H new ATOM 0 HA ILE A 531 -6.425 -11.491 8.417 1.00 10.11 H new ATOM 0 HB ILE A 531 -4.680 -12.021 9.999 1.00 75.33 H new ATOM 0 HG12 ILE A 531 -3.186 -10.903 7.620 1.00 12.12 H new ATOM 0 HG13 ILE A 531 -4.471 -9.993 8.388 1.00 12.12 H new ATOM 0 HG21 ILE A 531 -2.576 -13.110 9.325 1.00 20.44 H new ATOM 0 HG22 ILE A 531 -3.981 -14.168 9.051 1.00 20.44 H new ATOM 0 HG23 ILE A 531 -3.220 -13.328 7.680 1.00 20.44 H new ATOM 0 HD11 ILE A 531 -2.285 -9.338 9.270 1.00 72.44 H new ATOM 0 HD12 ILE A 531 -3.271 -10.093 10.545 1.00 72.44 H new ATOM 0 HD13 ILE A 531 -1.966 -11.017 9.764 1.00 72.44 H new ATOM 790 N GLU A 532 -5.544 -10.857 6.138 1.00 54.52 N ATOM 791 CA GLU A 532 -5.264 -10.560 4.738 1.00 52.50 C ATOM 792 C GLU A 532 -4.124 -9.553 4.613 1.00 23.40 C ATOM 793 O GLU A 532 -4.191 -8.451 5.158 1.00 3.20 O ATOM 794 CB GLU A 532 -6.517 -10.015 4.048 1.00 21.23 C ATOM 795 CG GLU A 532 -6.352 -9.822 2.550 1.00 23.22 C ATOM 796 CD GLU A 532 -7.548 -10.319 1.763 1.00 74.34 C ATOM 797 OE1 GLU A 532 -7.857 -11.526 1.850 1.00 14.12 O ATOM 798 OE2 GLU A 532 -8.176 -9.501 1.059 1.00 40.45 O ATOM 0 H GLU A 532 -5.875 -10.059 6.681 1.00 54.52 H new ATOM 0 HA GLU A 532 -4.963 -11.487 4.250 1.00 52.50 H new ATOM 0 HB2 GLU A 532 -7.347 -10.698 4.228 1.00 21.23 H new ATOM 0 HB3 GLU A 532 -6.785 -9.061 4.501 1.00 21.23 H new ATOM 0 HG2 GLU A 532 -6.197 -8.764 2.339 1.00 23.22 H new ATOM 0 HG3 GLU A 532 -5.458 -10.348 2.216 1.00 23.22 H new ATOM 805 N LEU A 533 -3.077 -9.941 3.893 1.00 71.15 N ATOM 806 CA LEU A 533 -1.920 -9.074 3.696 1.00 75.15 C ATOM 807 C LEU A 533 -1.947 -8.437 2.310 1.00 53.11 C ATOM 808 O LEU A 533 -1.847 -9.114 1.286 1.00 10.34 O ATOM 809 CB LEU A 533 -0.626 -9.868 3.879 1.00 30.22 C ATOM 810 CG LEU A 533 0.186 -9.548 5.135 1.00 54.32 C ATOM 811 CD1 LEU A 533 -0.621 -9.859 6.386 1.00 71.12 C ATOM 812 CD2 LEU A 533 1.495 -10.323 5.136 1.00 41.13 C ATOM 0 H LEU A 533 -3.005 -10.850 3.436 1.00 71.15 H new ATOM 0 HA LEU A 533 -1.961 -8.280 4.442 1.00 75.15 H new ATOM 0 HB2 LEU A 533 -0.873 -10.930 3.891 1.00 30.22 H new ATOM 0 HB3 LEU A 533 0.007 -9.698 3.008 1.00 30.22 H new ATOM 0 HG LEU A 533 0.418 -8.483 5.133 1.00 54.32 H new ATOM 0 HD11 LEU A 533 -0.027 -9.625 7.270 1.00 71.12 H new ATOM 0 HD12 LEU A 533 -1.531 -9.259 6.391 1.00 71.12 H new ATOM 0 HD13 LEU A 533 -0.884 -10.917 6.395 1.00 71.12 H new ATOM 0 HD21 LEU A 533 2.059 -10.083 6.037 1.00 41.13 H new ATOM 0 HD22 LEU A 533 1.285 -11.392 5.114 1.00 41.13 H new ATOM 0 HD23 LEU A 533 2.080 -10.050 4.258 1.00 41.13 H new ATOM 824 N PRO A 534 -2.084 -7.103 2.274 1.00 23.03 N ATOM 825 CA PRO A 534 -2.124 -6.345 1.021 1.00 41.45 C ATOM 826 C PRO A 534 -0.774 -6.324 0.312 1.00 3.42 C ATOM 827 O PRO A 534 -0.658 -5.836 -0.812 1.00 72.15 O ATOM 828 CB PRO A 534 -2.513 -4.935 1.471 1.00 12.52 C ATOM 829 CG PRO A 534 -2.055 -4.849 2.886 1.00 32.13 C ATOM 830 CD PRO A 534 -2.209 -6.232 3.455 1.00 24.54 C ATOM 0 HA PRO A 534 -2.816 -6.784 0.302 1.00 41.45 H new ATOM 0 HB2 PRO A 534 -2.034 -4.176 0.853 1.00 12.52 H new ATOM 0 HB3 PRO A 534 -3.589 -4.777 1.393 1.00 12.52 H new ATOM 0 HG2 PRO A 534 -1.018 -4.517 2.941 1.00 32.13 H new ATOM 0 HG3 PRO A 534 -2.651 -4.128 3.446 1.00 32.13 H new ATOM 0 HD2 PRO A 534 -1.441 -6.449 4.197 1.00 24.54 H new ATOM 0 HD3 PRO A 534 -3.173 -6.359 3.948 1.00 24.54 H new ATOM 838 N LYS A 535 0.246 -6.856 0.977 1.00 43.20 N ATOM 839 CA LYS A 535 1.589 -6.900 0.411 1.00 23.30 C ATOM 840 C LYS A 535 1.561 -7.440 -1.015 1.00 40.35 C ATOM 841 O LYS A 535 0.680 -8.219 -1.378 1.00 3.44 O ATOM 842 CB LYS A 535 2.502 -7.770 1.278 1.00 30.14 C ATOM 843 CG LYS A 535 2.613 -7.291 2.715 1.00 1.34 C ATOM 844 CD LYS A 535 3.786 -6.342 2.898 1.00 51.14 C ATOM 845 CE LYS A 535 3.401 -4.909 2.561 1.00 22.32 C ATOM 846 NZ LYS A 535 4.193 -3.923 3.348 1.00 74.20 N ATOM 0 H LYS A 535 0.168 -7.263 1.909 1.00 43.20 H new ATOM 0 HA LYS A 535 1.980 -5.883 0.389 1.00 23.30 H new ATOM 0 HB2 LYS A 535 2.127 -8.793 1.273 1.00 30.14 H new ATOM 0 HB3 LYS A 535 3.497 -7.793 0.834 1.00 30.14 H new ATOM 0 HG2 LYS A 535 1.690 -6.789 3.005 1.00 1.34 H new ATOM 0 HG3 LYS A 535 2.731 -8.149 3.377 1.00 1.34 H new ATOM 0 HD2 LYS A 535 4.139 -6.392 3.928 1.00 51.14 H new ATOM 0 HD3 LYS A 535 4.613 -6.657 2.262 1.00 51.14 H new ATOM 0 HE2 LYS A 535 3.555 -4.732 1.497 1.00 22.32 H new ATOM 0 HE3 LYS A 535 2.339 -4.762 2.758 1.00 22.32 H new ATOM 0 HZ1 LYS A 535 3.563 -3.410 3.997 1.00 74.20 H new ATOM 0 HZ2 LYS A 535 4.922 -4.422 3.896 1.00 74.20 H new ATOM 0 HZ3 LYS A 535 4.648 -3.248 2.701 1.00 74.20 H new ATOM 860 N GLY A 536 2.532 -7.021 -1.821 1.00 42.24 N ATOM 861 CA GLY A 536 2.600 -7.473 -3.199 1.00 23.34 C ATOM 862 C GLY A 536 3.970 -8.010 -3.565 1.00 75.24 C ATOM 863 O GLY A 536 4.532 -7.641 -4.596 1.00 25.25 O ATOM 0 H GLY A 536 3.273 -6.377 -1.544 1.00 42.24 H new ATOM 0 HA2 GLY A 536 1.853 -8.250 -3.361 1.00 23.34 H new ATOM 0 HA3 GLY A 536 2.348 -6.646 -3.863 1.00 23.34 H new ATOM 867 N MET A 537 4.507 -8.883 -2.719 1.00 43.25 N ATOM 868 CA MET A 537 5.820 -9.471 -2.960 1.00 51.25 C ATOM 869 C MET A 537 6.158 -10.503 -1.889 1.00 45.52 C ATOM 870 O MET A 537 7.061 -10.313 -1.074 1.00 4.20 O ATOM 871 CB MET A 537 6.893 -8.381 -2.992 1.00 53.52 C ATOM 872 CG MET A 537 8.077 -8.719 -3.883 1.00 22.24 C ATOM 873 SD MET A 537 9.483 -7.623 -3.615 1.00 5.04 S ATOM 874 CE MET A 537 9.696 -6.938 -5.256 1.00 4.12 C ATOM 0 H MET A 537 4.054 -9.199 -1.861 1.00 43.25 H new ATOM 0 HA MET A 537 5.794 -9.973 -3.927 1.00 51.25 H new ATOM 0 HB2 MET A 537 6.443 -7.450 -3.337 1.00 53.52 H new ATOM 0 HB3 MET A 537 7.251 -8.205 -1.978 1.00 53.52 H new ATOM 0 HG2 MET A 537 8.383 -9.749 -3.698 1.00 22.24 H new ATOM 0 HG3 MET A 537 7.769 -8.660 -4.927 1.00 22.24 H new ATOM 0 HE1 MET A 537 10.054 -5.911 -5.178 1.00 4.12 H new ATOM 0 HE2 MET A 537 10.422 -7.535 -5.808 1.00 4.12 H new ATOM 0 HE3 MET A 537 8.741 -6.950 -5.782 1.00 4.12 H new ATOM 884 N PRO A 538 5.418 -11.621 -1.888 1.00 62.05 N ATOM 885 CA PRO A 538 5.622 -12.705 -0.923 1.00 2.34 C ATOM 886 C PRO A 538 6.930 -13.453 -1.159 1.00 33.15 C ATOM 887 O PRO A 538 7.766 -13.026 -1.953 1.00 3.32 O ATOM 888 CB PRO A 538 4.426 -13.628 -1.167 1.00 50.23 C ATOM 889 CG PRO A 538 4.029 -13.367 -2.579 1.00 55.31 C ATOM 890 CD PRO A 538 4.325 -11.914 -2.831 1.00 25.20 C ATOM 0 HA PRO A 538 5.688 -12.333 0.099 1.00 2.34 H new ATOM 0 HB2 PRO A 538 4.696 -14.674 -1.018 1.00 50.23 H new ATOM 0 HB3 PRO A 538 3.610 -13.409 -0.479 1.00 50.23 H new ATOM 0 HG2 PRO A 538 4.587 -14.004 -3.265 1.00 55.31 H new ATOM 0 HG3 PRO A 538 2.972 -13.582 -2.733 1.00 55.31 H new ATOM 0 HD2 PRO A 538 4.627 -11.738 -3.864 1.00 25.20 H new ATOM 0 HD3 PRO A 538 3.453 -11.288 -2.643 1.00 25.20 H new ATOM 898 N GLY A 539 7.099 -14.574 -0.463 1.00 11.30 N ATOM 899 CA GLY A 539 8.307 -15.364 -0.612 1.00 1.33 C ATOM 900 C GLY A 539 9.404 -14.930 0.340 1.00 21.23 C ATOM 901 O GLY A 539 10.490 -15.509 0.350 1.00 32.24 O ATOM 0 H GLY A 539 6.421 -14.948 0.201 1.00 11.30 H new ATOM 0 HA2 GLY A 539 8.074 -16.415 -0.439 1.00 1.33 H new ATOM 0 HA3 GLY A 539 8.667 -15.282 -1.638 1.00 1.33 H new ATOM 905 N GLU A 540 9.121 -13.908 1.141 1.00 12.50 N ATOM 906 CA GLU A 540 10.094 -13.396 2.099 1.00 51.11 C ATOM 907 C GLU A 540 10.128 -14.262 3.355 1.00 64.02 C ATOM 908 O GLU A 540 11.180 -14.773 3.742 1.00 53.33 O ATOM 909 CB GLU A 540 9.763 -11.949 2.473 1.00 71.54 C ATOM 910 CG GLU A 540 9.315 -11.103 1.293 1.00 65.13 C ATOM 911 CD GLU A 540 9.369 -9.617 1.588 1.00 54.34 C ATOM 912 OE1 GLU A 540 9.342 -9.248 2.781 1.00 52.25 O ATOM 913 OE2 GLU A 540 9.437 -8.823 0.626 1.00 14.43 O ATOM 0 H GLU A 540 8.226 -13.418 1.146 1.00 12.50 H new ATOM 0 HA GLU A 540 11.078 -13.426 1.630 1.00 51.11 H new ATOM 0 HB2 GLU A 540 8.978 -11.948 3.229 1.00 71.54 H new ATOM 0 HB3 GLU A 540 10.642 -11.490 2.926 1.00 71.54 H new ATOM 0 HG2 GLU A 540 9.947 -11.322 0.433 1.00 65.13 H new ATOM 0 HG3 GLU A 540 8.297 -11.379 1.019 1.00 65.13 H new ATOM 920 N VAL A 541 8.971 -14.423 3.988 1.00 54.42 N ATOM 921 CA VAL A 541 8.867 -15.227 5.200 1.00 51.24 C ATOM 922 C VAL A 541 8.816 -16.714 4.869 1.00 32.23 C ATOM 923 O VAL A 541 9.305 -17.548 5.632 1.00 21.25 O ATOM 924 CB VAL A 541 7.617 -14.851 6.018 1.00 43.54 C ATOM 925 CG1 VAL A 541 7.578 -15.631 7.322 1.00 21.35 C ATOM 926 CG2 VAL A 541 7.585 -13.353 6.282 1.00 50.22 C ATOM 0 H VAL A 541 8.092 -14.007 3.682 1.00 54.42 H new ATOM 0 HA VAL A 541 9.757 -15.020 5.795 1.00 51.24 H new ATOM 0 HB VAL A 541 6.732 -15.114 5.439 1.00 43.54 H new ATOM 0 HG11 VAL A 541 6.688 -15.352 7.886 1.00 21.35 H new ATOM 0 HG12 VAL A 541 7.551 -16.699 7.106 1.00 21.35 H new ATOM 0 HG13 VAL A 541 8.467 -15.402 7.910 1.00 21.35 H new ATOM 0 HG21 VAL A 541 6.696 -13.104 6.861 1.00 50.22 H new ATOM 0 HG22 VAL A 541 8.475 -13.063 6.841 1.00 50.22 H new ATOM 0 HG23 VAL A 541 7.562 -12.817 5.333 1.00 50.22 H new ATOM 936 N LEU A 542 8.221 -17.041 3.727 1.00 1.32 N ATOM 937 CA LEU A 542 8.106 -18.429 3.294 1.00 20.01 C ATOM 938 C LEU A 542 9.476 -19.009 2.957 1.00 73.52 C ATOM 939 O LEU A 542 9.665 -20.225 2.970 1.00 33.42 O ATOM 940 CB LEU A 542 7.183 -18.530 2.078 1.00 3.22 C ATOM 941 CG LEU A 542 5.750 -18.038 2.281 1.00 33.21 C ATOM 942 CD1 LEU A 542 4.916 -18.295 1.035 1.00 30.24 C ATOM 943 CD2 LEU A 542 5.122 -18.711 3.493 1.00 12.54 C ATOM 0 H LEU A 542 7.811 -16.364 3.084 1.00 1.32 H new ATOM 0 HA LEU A 542 7.679 -19.006 4.115 1.00 20.01 H new ATOM 0 HB2 LEU A 542 7.628 -17.963 1.261 1.00 3.22 H new ATOM 0 HB3 LEU A 542 7.147 -19.572 1.760 1.00 3.22 H new ATOM 0 HG LEU A 542 5.777 -16.963 2.460 1.00 33.21 H new ATOM 0 HD11 LEU A 542 3.899 -17.938 1.198 1.00 30.24 H new ATOM 0 HD12 LEU A 542 5.354 -17.767 0.188 1.00 30.24 H new ATOM 0 HD13 LEU A 542 4.896 -19.364 0.825 1.00 30.24 H new ATOM 0 HD21 LEU A 542 4.102 -18.349 3.622 1.00 12.54 H new ATOM 0 HD22 LEU A 542 5.108 -19.791 3.343 1.00 12.54 H new ATOM 0 HD23 LEU A 542 5.706 -18.476 4.383 1.00 12.54 H new ATOM 955 N GLN A 543 10.427 -18.131 2.657 1.00 23.41 N ATOM 956 CA GLN A 543 11.780 -18.557 2.318 1.00 31.51 C ATOM 957 C GLN A 543 12.603 -18.808 3.577 1.00 23.21 C ATOM 958 O GLN A 543 13.099 -19.914 3.798 1.00 54.05 O ATOM 959 CB GLN A 543 12.466 -17.504 1.447 1.00 1.31 C ATOM 960 CG GLN A 543 12.293 -17.740 -0.044 1.00 72.55 C ATOM 961 CD GLN A 543 13.153 -18.878 -0.559 1.00 5.43 C ATOM 962 OE1 GLN A 543 12.667 -19.986 -0.785 1.00 63.03 O ATOM 963 NE2 GLN A 543 14.440 -18.609 -0.746 1.00 42.41 N ATOM 0 H GLN A 543 10.286 -17.121 2.642 1.00 23.41 H new ATOM 0 HA GLN A 543 11.711 -19.490 1.759 1.00 31.51 H new ATOM 0 HB2 GLN A 543 12.068 -16.521 1.699 1.00 1.31 H new ATOM 0 HB3 GLN A 543 13.530 -17.487 1.682 1.00 1.31 H new ATOM 0 HG2 GLN A 543 11.246 -17.957 -0.254 1.00 72.55 H new ATOM 0 HG3 GLN A 543 12.544 -16.827 -0.584 1.00 72.55 H new ATOM 0 HE21 GLN A 543 14.800 -17.676 -0.546 1.00 42.41 H new ATOM 0 HE22 GLN A 543 15.068 -19.335 -1.090 1.00 42.41 H new ATOM 972 N HIS A 544 12.746 -17.774 4.400 1.00 22.55 N ATOM 973 CA HIS A 544 13.510 -17.883 5.638 1.00 31.04 C ATOM 974 C HIS A 544 12.765 -18.733 6.664 1.00 41.24 C ATOM 975 O HIS A 544 13.301 -19.714 7.179 1.00 4.21 O ATOM 976 CB HIS A 544 13.787 -16.494 6.215 1.00 63.33 C ATOM 977 CG HIS A 544 14.965 -15.811 5.591 1.00 60.12 C ATOM 978 ND1 HIS A 544 16.223 -15.814 6.155 1.00 21.52 N ATOM 979 CD2 HIS A 544 15.071 -15.102 4.443 1.00 42.40 C ATOM 980 CE1 HIS A 544 17.052 -15.135 5.383 1.00 73.14 C ATOM 981 NE2 HIS A 544 16.378 -14.692 4.337 1.00 73.34 N ATOM 0 H HIS A 544 12.343 -16.852 4.232 1.00 22.55 H new ATOM 0 HA HIS A 544 14.458 -18.369 5.409 1.00 31.04 H new ATOM 0 HB2 HIS A 544 12.903 -15.871 6.081 1.00 63.33 H new ATOM 0 HB3 HIS A 544 13.955 -16.582 7.288 1.00 63.33 H new ATOM 0 HD2 HIS A 544 14.276 -14.897 3.741 1.00 42.40 H new ATOM 0 HE1 HIS A 544 18.102 -14.970 5.574 1.00 73.14 H new ATOM 0 HE2 HIS A 544 16.765 -14.136 3.574 1.00 73.34 H new ATOM 989 N PHE A 545 11.527 -18.349 6.955 1.00 33.03 N ATOM 990 CA PHE A 545 10.709 -19.075 7.920 1.00 12.42 C ATOM 991 C PHE A 545 9.918 -20.186 7.236 1.00 11.12 C ATOM 992 O PHE A 545 8.726 -20.363 7.490 1.00 52.21 O ATOM 993 CB PHE A 545 9.752 -18.116 8.632 1.00 31.34 C ATOM 994 CG PHE A 545 10.387 -17.372 9.772 1.00 41.43 C ATOM 995 CD1 PHE A 545 9.806 -17.377 11.030 1.00 65.23 C ATOM 996 CD2 PHE A 545 11.565 -16.666 9.584 1.00 15.45 C ATOM 997 CE1 PHE A 545 10.389 -16.693 12.080 1.00 34.35 C ATOM 998 CE2 PHE A 545 12.151 -15.980 10.631 1.00 24.34 C ATOM 999 CZ PHE A 545 11.562 -15.993 11.881 1.00 61.14 C ATOM 0 H PHE A 545 11.068 -17.540 6.537 1.00 33.03 H new ATOM 0 HA PHE A 545 11.374 -19.527 8.656 1.00 12.42 H new ATOM 0 HB2 PHE A 545 9.366 -17.397 7.909 1.00 31.34 H new ATOM 0 HB3 PHE A 545 8.898 -18.680 9.007 1.00 31.34 H new ATOM 0 HD1 PHE A 545 8.887 -17.921 11.192 1.00 65.23 H new ATOM 0 HD2 PHE A 545 12.030 -16.652 8.609 1.00 15.45 H new ATOM 0 HE1 PHE A 545 9.927 -16.706 13.056 1.00 34.35 H new ATOM 0 HE2 PHE A 545 13.069 -15.434 10.472 1.00 24.34 H new ATOM 0 HZ PHE A 545 12.018 -15.457 12.700 1.00 61.14 H new ATOM 1009 N THR A 546 10.590 -20.933 6.366 1.00 61.20 N ATOM 1010 CA THR A 546 9.952 -22.026 5.643 1.00 15.05 C ATOM 1011 C THR A 546 9.585 -23.168 6.585 1.00 42.41 C ATOM 1012 O THR A 546 8.536 -23.795 6.437 1.00 42.45 O ATOM 1013 CB THR A 546 10.863 -22.569 4.527 1.00 73.15 C ATOM 1014 OG1 THR A 546 10.212 -23.646 3.844 1.00 73.33 O ATOM 1015 CG2 THR A 546 12.189 -23.050 5.096 1.00 74.51 C ATOM 0 H THR A 546 11.577 -20.801 6.145 1.00 61.20 H new ATOM 0 HA THR A 546 9.044 -21.621 5.196 1.00 15.05 H new ATOM 0 HB THR A 546 11.060 -21.760 3.824 1.00 73.15 H new ATOM 0 HG1 THR A 546 10.797 -23.985 3.135 1.00 73.33 H new ATOM 0 HG21 THR A 546 12.815 -23.429 4.288 1.00 74.51 H new ATOM 0 HG22 THR A 546 12.696 -22.220 5.589 1.00 74.51 H new ATOM 0 HG23 THR A 546 12.008 -23.846 5.819 1.00 74.51 H new ATOM 1023 N ARG A 547 10.456 -23.432 7.554 1.00 54.12 N ATOM 1024 CA ARG A 547 10.223 -24.499 8.519 1.00 21.15 C ATOM 1025 C ARG A 547 10.028 -23.930 9.922 1.00 72.22 C ATOM 1026 O ARG A 547 9.436 -24.575 10.789 1.00 40.53 O ATOM 1027 CB ARG A 547 11.394 -25.484 8.515 1.00 1.54 C ATOM 1028 CG ARG A 547 12.687 -24.894 9.053 1.00 5.24 C ATOM 1029 CD ARG A 547 12.822 -25.120 10.551 1.00 23.01 C ATOM 1030 NE ARG A 547 14.216 -25.282 10.957 1.00 51.20 N ATOM 1031 CZ ARG A 547 14.611 -25.331 12.224 1.00 23.11 C ATOM 1032 NH1 ARG A 547 13.723 -25.232 13.204 1.00 61.25 N ATOM 1033 NH2 ARG A 547 15.898 -25.480 12.514 1.00 74.33 N ATOM 0 H ARG A 547 11.329 -22.922 7.691 1.00 54.12 H new ATOM 0 HA ARG A 547 9.313 -25.025 8.229 1.00 21.15 H new ATOM 0 HB2 ARG A 547 11.126 -26.356 9.112 1.00 1.54 H new ATOM 0 HB3 ARG A 547 11.560 -25.834 7.496 1.00 1.54 H new ATOM 0 HG2 ARG A 547 13.536 -25.344 8.538 1.00 5.24 H new ATOM 0 HG3 ARG A 547 12.716 -23.825 8.841 1.00 5.24 H new ATOM 0 HD2 ARG A 547 12.384 -24.277 11.086 1.00 23.01 H new ATOM 0 HD3 ARG A 547 12.256 -26.007 10.836 1.00 23.01 H new ATOM 0 HE ARG A 547 14.925 -25.362 10.228 1.00 51.20 H new ATOM 0 HH11 ARG A 547 12.733 -25.118 12.986 1.00 61.25 H new ATOM 0 HH12 ARG A 547 14.030 -25.270 14.176 1.00 61.25 H new ATOM 0 HH21 ARG A 547 16.584 -25.557 11.763 1.00 74.33 H new ATOM 0 HH22 ARG A 547 16.200 -25.518 13.487 1.00 74.33 H new ATOM 1047 N THR A 548 10.530 -22.718 10.139 1.00 73.43 N ATOM 1048 CA THR A 548 10.412 -22.063 11.435 1.00 23.32 C ATOM 1049 C THR A 548 9.186 -21.159 11.485 1.00 2.03 C ATOM 1050 O THR A 548 9.105 -20.166 10.761 1.00 22.54 O ATOM 1051 CB THR A 548 11.666 -21.228 11.758 1.00 34.01 C ATOM 1052 OG1 THR A 548 12.820 -22.074 11.803 1.00 61.03 O ATOM 1053 CG2 THR A 548 11.507 -20.507 13.088 1.00 4.12 C ATOM 0 H THR A 548 11.022 -22.170 9.433 1.00 73.43 H new ATOM 0 HA THR A 548 10.308 -22.852 12.180 1.00 23.32 H new ATOM 0 HB THR A 548 11.793 -20.484 10.972 1.00 34.01 H new ATOM 0 HG1 THR A 548 13.613 -21.535 12.007 1.00 61.03 H new ATOM 0 HG21 THR A 548 12.404 -19.924 13.295 1.00 4.12 H new ATOM 0 HG22 THR A 548 10.645 -19.842 13.040 1.00 4.12 H new ATOM 0 HG23 THR A 548 11.358 -21.238 13.883 1.00 4.12 H new ATOM 1061 N ARG A 549 8.234 -21.508 12.344 1.00 1.24 N ATOM 1062 CA ARG A 549 7.011 -20.727 12.488 1.00 23.12 C ATOM 1063 C ARG A 549 6.484 -20.801 13.918 1.00 33.40 C ATOM 1064 O ARG A 549 7.046 -21.500 14.762 1.00 43.30 O ATOM 1065 CB ARG A 549 5.944 -21.227 11.513 1.00 60.12 C ATOM 1066 CG ARG A 549 6.222 -20.859 10.065 1.00 63.25 C ATOM 1067 CD ARG A 549 7.047 -21.929 9.367 1.00 60.34 C ATOM 1068 NE ARG A 549 6.557 -22.206 8.019 1.00 50.11 N ATOM 1069 CZ ARG A 549 5.556 -23.039 7.757 1.00 30.15 C ATOM 1070 NH1 ARG A 549 4.942 -23.674 8.746 1.00 13.44 N ATOM 1071 NH2 ARG A 549 5.167 -23.239 6.505 1.00 42.54 N ATOM 0 H ARG A 549 8.286 -22.326 12.951 1.00 1.24 H new ATOM 0 HA ARG A 549 7.244 -19.687 12.259 1.00 23.12 H new ATOM 0 HB2 ARG A 549 5.868 -22.311 11.595 1.00 60.12 H new ATOM 0 HB3 ARG A 549 4.977 -20.817 11.804 1.00 60.12 H new ATOM 0 HG2 ARG A 549 5.279 -20.722 9.536 1.00 63.25 H new ATOM 0 HG3 ARG A 549 6.751 -19.907 10.026 1.00 63.25 H new ATOM 0 HD2 ARG A 549 8.087 -21.608 9.316 1.00 60.34 H new ATOM 0 HD3 ARG A 549 7.025 -22.846 9.956 1.00 60.34 H new ATOM 0 HE ARG A 549 7.008 -21.734 7.236 1.00 50.11 H new ATOM 0 HH11 ARG A 549 5.238 -23.523 9.710 1.00 13.44 H new ATOM 0 HH12 ARG A 549 4.174 -24.313 8.542 1.00 13.44 H new ATOM 0 HH21 ARG A 549 5.637 -22.753 5.741 1.00 42.54 H new ATOM 0 HH22 ARG A 549 4.398 -23.879 6.306 1.00 42.54 H new ATOM 1085 N ILE A 550 5.402 -20.077 14.182 1.00 34.12 N ATOM 1086 CA ILE A 550 4.798 -20.062 15.509 1.00 5.31 C ATOM 1087 C ILE A 550 3.425 -19.401 15.481 1.00 55.21 C ATOM 1088 O ILE A 550 2.936 -19.004 14.422 1.00 32.11 O ATOM 1089 CB ILE A 550 5.690 -19.323 16.524 1.00 3.04 C ATOM 1090 CG1 ILE A 550 5.450 -19.863 17.936 1.00 73.25 C ATOM 1091 CG2 ILE A 550 5.425 -17.826 16.472 1.00 54.11 C ATOM 1092 CD1 ILE A 550 6.723 -20.102 18.716 1.00 30.33 C ATOM 0 H ILE A 550 4.925 -19.493 13.495 1.00 34.12 H new ATOM 0 HA ILE A 550 4.691 -21.102 15.819 1.00 5.31 H new ATOM 0 HB ILE A 550 6.733 -19.497 16.261 1.00 3.04 H new ATOM 0 HG12 ILE A 550 4.825 -19.158 18.484 1.00 73.25 H new ATOM 0 HG13 ILE A 550 4.894 -20.798 17.869 1.00 73.25 H new ATOM 0 HG21 ILE A 550 6.063 -17.318 17.195 1.00 54.11 H new ATOM 0 HG22 ILE A 550 5.642 -17.453 15.471 1.00 54.11 H new ATOM 0 HG23 ILE A 550 4.379 -17.633 16.712 1.00 54.11 H new ATOM 0 HD11 ILE A 550 6.476 -20.484 19.707 1.00 30.33 H new ATOM 0 HD12 ILE A 550 7.341 -20.830 18.190 1.00 30.33 H new ATOM 0 HD13 ILE A 550 7.271 -19.165 18.815 1.00 30.33 H new ATOM 1104 N LEU A 551 2.806 -19.284 16.651 1.00 45.41 N ATOM 1105 CA LEU A 551 1.488 -18.668 16.762 1.00 64.33 C ATOM 1106 C LEU A 551 1.351 -17.497 15.795 1.00 44.43 C ATOM 1107 O LEU A 551 0.314 -17.324 15.157 1.00 51.13 O ATOM 1108 CB LEU A 551 1.245 -18.193 18.195 1.00 52.50 C ATOM 1109 CG LEU A 551 2.104 -17.019 18.668 1.00 71.31 C ATOM 1110 CD1 LEU A 551 1.408 -15.698 18.379 1.00 65.01 C ATOM 1111 CD2 LEU A 551 2.412 -17.148 20.152 1.00 22.35 C ATOM 0 H LEU A 551 3.196 -19.608 17.536 1.00 45.41 H new ATOM 0 HA LEU A 551 0.740 -19.418 16.503 1.00 64.33 H new ATOM 0 HB2 LEU A 551 0.196 -17.911 18.290 1.00 52.50 H new ATOM 0 HB3 LEU A 551 1.412 -19.034 18.868 1.00 52.50 H new ATOM 0 HG LEU A 551 3.045 -17.038 18.119 1.00 71.31 H new ATOM 0 HD11 LEU A 551 2.034 -14.874 18.722 1.00 65.01 H new ATOM 0 HD12 LEU A 551 1.239 -15.603 17.306 1.00 65.01 H new ATOM 0 HD13 LEU A 551 0.452 -15.669 18.901 1.00 65.01 H new ATOM 0 HD21 LEU A 551 3.024 -16.304 20.471 1.00 22.35 H new ATOM 0 HD22 LEU A 551 1.480 -17.155 20.718 1.00 22.35 H new ATOM 0 HD23 LEU A 551 2.953 -18.077 20.332 1.00 22.35 H new ATOM 1123 N ASN A 552 2.407 -16.696 15.690 1.00 11.43 N ATOM 1124 CA ASN A 552 2.405 -15.541 14.799 1.00 10.15 C ATOM 1125 C ASN A 552 2.625 -15.970 13.352 1.00 32.20 C ATOM 1126 O ASN A 552 1.765 -15.766 12.495 1.00 42.04 O ATOM 1127 CB ASN A 552 3.489 -14.546 15.218 1.00 10.33 C ATOM 1128 CG ASN A 552 3.828 -13.562 14.115 1.00 21.00 C ATOM 1129 OD1 ASN A 552 2.971 -13.194 13.311 1.00 65.51 O ATOM 1130 ND2 ASN A 552 5.083 -13.131 14.072 1.00 25.02 N ATOM 0 H ASN A 552 3.275 -16.826 16.211 1.00 11.43 H new ATOM 0 HA ASN A 552 1.430 -15.059 14.872 1.00 10.15 H new ATOM 0 HB2 ASN A 552 3.155 -13.999 16.099 1.00 10.33 H new ATOM 0 HB3 ASN A 552 4.388 -15.092 15.504 1.00 10.33 H new ATOM 0 HD21 ASN A 552 5.370 -12.468 13.352 1.00 25.02 H new ATOM 0 HD22 ASN A 552 5.760 -13.463 14.759 1.00 25.02 H new ATOM 1137 N LYS A 553 3.782 -16.567 13.087 1.00 40.10 N ATOM 1138 CA LYS A 553 4.116 -17.028 11.745 1.00 50.45 C ATOM 1139 C LYS A 553 3.135 -18.098 11.277 1.00 40.01 C ATOM 1140 O LYS A 553 2.410 -18.699 12.070 1.00 22.01 O ATOM 1141 CB LYS A 553 5.543 -17.580 11.713 1.00 50.32 C ATOM 1142 CG LYS A 553 6.511 -16.816 12.600 1.00 54.30 C ATOM 1143 CD LYS A 553 6.477 -15.325 12.308 1.00 53.02 C ATOM 1144 CE LYS A 553 6.858 -15.031 10.865 1.00 73.01 C ATOM 1145 NZ LYS A 553 5.713 -14.476 10.091 1.00 73.51 N ATOM 0 H LYS A 553 4.505 -16.743 13.785 1.00 40.10 H new ATOM 0 HA LYS A 553 4.047 -16.176 11.068 1.00 50.45 H new ATOM 0 HB2 LYS A 553 5.526 -18.625 12.023 1.00 50.32 H new ATOM 0 HB3 LYS A 553 5.909 -17.558 10.687 1.00 50.32 H new ATOM 0 HG2 LYS A 553 6.260 -16.988 13.647 1.00 54.30 H new ATOM 0 HG3 LYS A 553 7.522 -17.195 12.448 1.00 54.30 H new ATOM 0 HD2 LYS A 553 5.478 -14.937 12.508 1.00 53.02 H new ATOM 0 HD3 LYS A 553 7.161 -14.806 12.979 1.00 53.02 H new ATOM 0 HE2 LYS A 553 7.687 -14.323 10.845 1.00 73.01 H new ATOM 0 HE3 LYS A 553 7.209 -15.946 10.388 1.00 73.01 H new ATOM 0 HZ1 LYS A 553 6.058 -13.742 9.439 1.00 73.51 H new ATOM 0 HZ2 LYS A 553 5.260 -15.238 9.547 1.00 73.51 H new ATOM 0 HZ3 LYS A 553 5.020 -14.060 10.746 1.00 73.51 H new ATOM 1159 N PRO A 554 3.111 -18.344 9.959 1.00 72.44 N ATOM 1160 CA PRO A 554 2.224 -19.345 9.356 1.00 5.34 C ATOM 1161 C PRO A 554 2.631 -20.770 9.715 1.00 70.13 C ATOM 1162 O PRO A 554 3.214 -21.483 8.898 1.00 1.33 O ATOM 1163 CB PRO A 554 2.387 -19.104 7.854 1.00 42.05 C ATOM 1164 CG PRO A 554 3.736 -18.487 7.713 1.00 53.24 C ATOM 1165 CD PRO A 554 3.947 -17.666 8.954 1.00 2.25 C ATOM 0 HA PRO A 554 1.197 -19.246 9.708 1.00 5.34 H new ATOM 0 HB2 PRO A 554 2.318 -20.036 7.294 1.00 42.05 H new ATOM 0 HB3 PRO A 554 1.608 -18.444 7.472 1.00 42.05 H new ATOM 0 HG2 PRO A 554 4.507 -19.252 7.615 1.00 53.24 H new ATOM 0 HG3 PRO A 554 3.789 -17.865 6.820 1.00 53.24 H new ATOM 0 HD2 PRO A 554 4.996 -17.648 9.250 1.00 2.25 H new ATOM 0 HD3 PRO A 554 3.639 -16.631 8.808 1.00 2.25 H new ATOM 1173 N MET A 555 2.319 -21.179 10.940 1.00 72.20 N ATOM 1174 CA MET A 555 2.651 -22.521 11.405 1.00 72.01 C ATOM 1175 C MET A 555 1.903 -23.577 10.597 1.00 51.20 C ATOM 1176 O MET A 555 2.514 -24.398 9.916 1.00 64.54 O ATOM 1177 CB MET A 555 2.315 -22.667 12.890 1.00 5.34 C ATOM 1178 CG MET A 555 2.407 -24.097 13.397 1.00 70.13 C ATOM 1179 SD MET A 555 4.083 -24.757 13.315 1.00 50.03 S ATOM 1180 CE MET A 555 4.464 -24.931 15.056 1.00 33.32 C ATOM 0 H MET A 555 1.837 -20.601 11.629 1.00 72.20 H new ATOM 0 HA MET A 555 3.721 -22.672 11.265 1.00 72.01 H new ATOM 0 HB2 MET A 555 2.992 -22.040 13.470 1.00 5.34 H new ATOM 0 HB3 MET A 555 1.306 -22.293 13.064 1.00 5.34 H new ATOM 0 HG2 MET A 555 2.055 -24.136 14.428 1.00 70.13 H new ATOM 0 HG3 MET A 555 1.742 -24.730 12.809 1.00 70.13 H new ATOM 0 HE1 MET A 555 5.472 -25.330 15.170 1.00 33.32 H new ATOM 0 HE2 MET A 555 4.403 -23.957 15.541 1.00 33.32 H new ATOM 0 HE3 MET A 555 3.750 -25.612 15.518 1.00 33.32 H new ATOM 1190 N ASN A 556 0.577 -23.548 10.679 1.00 74.35 N ATOM 1191 CA ASN A 556 -0.254 -24.504 9.955 1.00 34.02 C ATOM 1192 C ASN A 556 -1.437 -23.804 9.293 1.00 71.25 C ATOM 1193 O ASN A 556 -2.593 -24.100 9.593 1.00 54.35 O ATOM 1194 CB ASN A 556 -0.758 -25.594 10.904 1.00 52.33 C ATOM 1195 CG ASN A 556 -1.008 -26.909 10.192 1.00 31.41 C ATOM 1196 OD1 ASN A 556 -2.116 -27.445 10.226 1.00 61.44 O ATOM 1197 ND2 ASN A 556 0.024 -27.436 9.543 1.00 31.34 N ATOM 0 H ASN A 556 0.055 -22.874 11.239 1.00 74.35 H new ATOM 0 HA ASN A 556 0.356 -24.962 9.177 1.00 34.02 H new ATOM 0 HB2 ASN A 556 -0.027 -25.747 11.698 1.00 52.33 H new ATOM 0 HB3 ASN A 556 -1.680 -25.260 11.379 1.00 52.33 H new ATOM 0 HD21 ASN A 556 -0.084 -28.320 9.046 1.00 31.34 H new ATOM 0 HD22 ASN A 556 0.924 -26.957 9.542 1.00 31.34 H new ATOM 1204 N MET A 557 -1.138 -22.876 8.390 1.00 52.13 N ATOM 1205 CA MET A 557 -2.177 -22.135 7.683 1.00 21.30 C ATOM 1206 C MET A 557 -2.255 -22.568 6.222 1.00 31.24 C ATOM 1207 O MET A 557 -1.395 -23.303 5.737 1.00 34.25 O ATOM 1208 CB MET A 557 -1.908 -20.632 7.768 1.00 54.42 C ATOM 1209 CG MET A 557 -0.598 -20.211 7.122 1.00 54.25 C ATOM 1210 SD MET A 557 -0.800 -19.721 5.398 1.00 11.11 S ATOM 1211 CE MET A 557 0.161 -20.986 4.572 1.00 62.23 C ATOM 0 H MET A 557 -0.186 -22.619 8.130 1.00 52.13 H new ATOM 0 HA MET A 557 -3.133 -22.353 8.160 1.00 21.30 H new ATOM 0 HB2 MET A 557 -2.728 -20.097 7.289 1.00 54.42 H new ATOM 0 HB3 MET A 557 -1.900 -20.331 8.816 1.00 54.42 H new ATOM 0 HG2 MET A 557 -0.171 -19.381 7.684 1.00 54.25 H new ATOM 0 HG3 MET A 557 0.113 -21.035 7.181 1.00 54.25 H new ATOM 0 HE1 MET A 557 0.991 -20.522 4.039 1.00 62.23 H new ATOM 0 HE2 MET A 557 0.550 -21.687 5.310 1.00 62.23 H new ATOM 0 HE3 MET A 557 -0.472 -21.519 3.863 1.00 62.23 H new ATOM 1221 N GLN A 558 -3.291 -22.108 5.528 1.00 3.10 N ATOM 1222 CA GLN A 558 -3.480 -22.449 4.123 1.00 32.32 C ATOM 1223 C GLN A 558 -4.092 -21.281 3.357 1.00 74.31 C ATOM 1224 O GLN A 558 -4.700 -20.388 3.948 1.00 54.21 O ATOM 1225 CB GLN A 558 -4.373 -23.684 3.993 1.00 71.44 C ATOM 1226 CG GLN A 558 -3.976 -24.823 4.919 1.00 54.41 C ATOM 1227 CD GLN A 558 -2.665 -25.470 4.519 1.00 33.33 C ATOM 1228 OE1 GLN A 558 -2.069 -25.116 3.502 1.00 52.22 O ATOM 1229 NE2 GLN A 558 -2.208 -26.426 5.320 1.00 14.12 N ATOM 0 H GLN A 558 -4.012 -21.499 5.915 1.00 3.10 H new ATOM 0 HA GLN A 558 -2.503 -22.669 3.693 1.00 32.32 H new ATOM 0 HB2 GLN A 558 -5.404 -23.400 4.202 1.00 71.44 H new ATOM 0 HB3 GLN A 558 -4.342 -24.037 2.962 1.00 71.44 H new ATOM 0 HG2 GLN A 558 -3.895 -24.446 5.938 1.00 54.41 H new ATOM 0 HG3 GLN A 558 -4.763 -25.577 4.920 1.00 54.41 H new ATOM 0 HE21 GLN A 558 -2.735 -26.688 6.153 1.00 14.12 H new ATOM 0 HE22 GLN A 558 -1.330 -26.898 5.102 1.00 14.12 H new ATOM 1238 N LEU A 559 -3.928 -21.294 2.039 1.00 41.02 N ATOM 1239 CA LEU A 559 -4.464 -20.235 1.191 1.00 73.24 C ATOM 1240 C LEU A 559 -5.900 -20.543 0.777 1.00 22.40 C ATOM 1241 O LEU A 559 -6.173 -21.577 0.165 1.00 24.11 O ATOM 1242 CB LEU A 559 -3.590 -20.058 -0.052 1.00 72.22 C ATOM 1243 CG LEU A 559 -4.059 -19.006 -1.058 1.00 70.42 C ATOM 1244 CD1 LEU A 559 -5.094 -19.596 -2.003 1.00 54.13 C ATOM 1245 CD2 LEU A 559 -4.624 -17.792 -0.336 1.00 3.10 C ATOM 0 H LEU A 559 -3.428 -22.026 1.534 1.00 41.02 H new ATOM 0 HA LEU A 559 -4.461 -19.308 1.765 1.00 73.24 H new ATOM 0 HB2 LEU A 559 -2.582 -19.799 0.271 1.00 72.22 H new ATOM 0 HB3 LEU A 559 -3.523 -21.018 -0.565 1.00 72.22 H new ATOM 0 HG LEU A 559 -3.200 -18.686 -1.647 1.00 70.42 H new ATOM 0 HD11 LEU A 559 -5.416 -18.833 -2.712 1.00 54.13 H new ATOM 0 HD12 LEU A 559 -4.656 -20.434 -2.546 1.00 54.13 H new ATOM 0 HD13 LEU A 559 -5.953 -19.945 -1.430 1.00 54.13 H new ATOM 0 HD21 LEU A 559 -4.953 -17.054 -1.068 1.00 3.10 H new ATOM 0 HD22 LEU A 559 -5.471 -18.096 0.279 1.00 3.10 H new ATOM 0 HD23 LEU A 559 -3.853 -17.355 0.299 1.00 3.10 H new ATOM 1257 N LEU A 560 -6.814 -19.640 1.113 1.00 44.31 N ATOM 1258 CA LEU A 560 -8.222 -19.813 0.774 1.00 20.55 C ATOM 1259 C LEU A 560 -8.698 -18.705 -0.159 1.00 74.20 C ATOM 1260 O LEU A 560 -9.571 -18.920 -0.999 1.00 51.32 O ATOM 1261 CB LEU A 560 -9.074 -19.827 2.045 1.00 71.53 C ATOM 1262 CG LEU A 560 -9.421 -18.460 2.635 1.00 33.31 C ATOM 1263 CD1 LEU A 560 -10.731 -17.946 2.057 1.00 64.10 C ATOM 1264 CD2 LEU A 560 -9.501 -18.539 4.153 1.00 61.43 C ATOM 0 H LEU A 560 -6.605 -18.780 1.620 1.00 44.31 H new ATOM 0 HA LEU A 560 -8.332 -20.767 0.259 1.00 20.55 H new ATOM 0 HB2 LEU A 560 -10.003 -20.354 1.830 1.00 71.53 H new ATOM 0 HB3 LEU A 560 -8.548 -20.405 2.805 1.00 71.53 H new ATOM 0 HG LEU A 560 -8.630 -17.759 2.368 1.00 33.31 H new ATOM 0 HD11 LEU A 560 -10.962 -16.972 2.489 1.00 64.10 H new ATOM 0 HD12 LEU A 560 -10.639 -17.851 0.975 1.00 64.10 H new ATOM 0 HD13 LEU A 560 -11.532 -18.646 2.293 1.00 64.10 H new ATOM 0 HD21 LEU A 560 -9.749 -17.557 4.556 1.00 61.43 H new ATOM 0 HD22 LEU A 560 -10.272 -19.254 4.440 1.00 61.43 H new ATOM 0 HD23 LEU A 560 -8.539 -18.863 4.552 1.00 61.43 H new ATOM 1276 N GLY A 561 -8.117 -17.519 -0.007 1.00 31.14 N ATOM 1277 CA GLY A 561 -8.494 -16.395 -0.844 1.00 23.31 C ATOM 1278 C GLY A 561 -7.698 -16.341 -2.133 1.00 52.41 C ATOM 1279 O GLY A 561 -7.072 -17.325 -2.526 1.00 71.13 O ATOM 0 H GLY A 561 -7.392 -17.316 0.681 1.00 31.14 H new ATOM 0 HA2 GLY A 561 -9.556 -16.461 -1.079 1.00 23.31 H new ATOM 0 HA3 GLY A 561 -8.347 -15.468 -0.290 1.00 23.31 H new ATOM 1283 N ASP A 562 -7.724 -15.188 -2.793 1.00 64.35 N ATOM 1284 CA ASP A 562 -7.000 -15.009 -4.047 1.00 24.13 C ATOM 1285 C ASP A 562 -6.785 -13.528 -4.343 1.00 71.24 C ATOM 1286 O ASP A 562 -7.564 -12.679 -3.911 1.00 23.35 O ATOM 1287 CB ASP A 562 -7.760 -15.668 -5.199 1.00 13.15 C ATOM 1288 CG ASP A 562 -6.838 -16.149 -6.301 1.00 40.24 C ATOM 1289 OD1 ASP A 562 -6.123 -17.149 -6.083 1.00 70.53 O ATOM 1290 OD2 ASP A 562 -6.832 -15.525 -7.383 1.00 63.10 O ATOM 0 H ASP A 562 -8.238 -14.364 -2.481 1.00 64.35 H new ATOM 0 HA ASP A 562 -6.025 -15.486 -3.947 1.00 24.13 H new ATOM 0 HB2 ASP A 562 -8.334 -16.512 -4.816 1.00 13.15 H new ATOM 0 HB3 ASP A 562 -8.475 -14.957 -5.612 1.00 13.15 H new ATOM 1295 N ALA A 563 -5.723 -13.226 -5.084 1.00 15.05 N ATOM 1296 CA ALA A 563 -5.407 -11.848 -5.439 1.00 31.22 C ATOM 1297 C ALA A 563 -6.577 -11.183 -6.156 1.00 34.54 C ATOM 1298 O ALA A 563 -7.029 -11.659 -7.197 1.00 51.20 O ATOM 1299 CB ALA A 563 -4.158 -11.800 -6.306 1.00 72.35 C ATOM 0 H ALA A 563 -5.068 -13.917 -5.450 1.00 15.05 H new ATOM 0 HA ALA A 563 -5.219 -11.296 -4.518 1.00 31.22 H new ATOM 0 HB1 ALA A 563 -3.934 -10.765 -6.564 1.00 72.35 H new ATOM 0 HB2 ALA A 563 -3.318 -12.228 -5.758 1.00 72.35 H new ATOM 0 HB3 ALA A 563 -4.326 -12.373 -7.218 1.00 72.35 H new ATOM 1305 N GLN A 564 -7.064 -10.083 -5.591 1.00 25.04 N ATOM 1306 CA GLN A 564 -8.183 -9.355 -6.176 1.00 43.33 C ATOM 1307 C GLN A 564 -7.911 -9.025 -7.640 1.00 40.43 C ATOM 1308 O GLN A 564 -6.827 -8.558 -7.992 1.00 2.24 O ATOM 1309 CB GLN A 564 -8.448 -8.069 -5.392 1.00 10.50 C ATOM 1310 CG GLN A 564 -9.873 -7.556 -5.528 1.00 3.11 C ATOM 1311 CD GLN A 564 -10.874 -8.408 -4.774 1.00 30.34 C ATOM 1312 OE1 GLN A 564 -11.558 -9.248 -5.360 1.00 14.53 O ATOM 1313 NE2 GLN A 564 -10.965 -8.197 -3.466 1.00 30.33 N ATOM 0 H GLN A 564 -6.701 -9.677 -4.729 1.00 25.04 H new ATOM 0 HA GLN A 564 -9.066 -9.992 -6.124 1.00 43.33 H new ATOM 0 HB2 GLN A 564 -8.233 -8.245 -4.338 1.00 10.50 H new ATOM 0 HB3 GLN A 564 -7.759 -7.297 -5.733 1.00 10.50 H new ATOM 0 HG2 GLN A 564 -9.923 -6.531 -5.159 1.00 3.11 H new ATOM 0 HG3 GLN A 564 -10.146 -7.529 -6.583 1.00 3.11 H new ATOM 0 HE21 GLN A 564 -10.379 -7.491 -3.021 1.00 30.33 H new ATOM 0 HE22 GLN A 564 -11.621 -8.741 -2.906 1.00 30.33 H new