USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=15 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= -1.87 X(o=-1.7,f=-1.9) USER MOD Set 1.2: A 489 TYR OH : rot -146:sc= 0.133 USER MOD Single : A 486 MET CE :methyl 147:sc= -0.141 (180deg=-1.02) USER MOD Single : A 503 HIS : no HD1:sc= -0.533 X(o=-0.53,f=-0.85) USER MOD Single : A 510 ASN : amide:sc=-0.00137 X(o=-0.0014,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= 0 X(o=0,f=-0.029) USER MOD Single : A 523 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.153) USER MOD Single : A 527 SER OG : rot 180:sc= 0 USER MOD Single : A 528 HIS : no HE2:sc= -1.04 K(o=-1,f=-2) USER MOD Single : A 529 SER OG : rot -88:sc= -0.363 USER MOD Single : A 530 THR OG1 : rot 180:sc= -0.841 USER MOD Single : A 535 LYS NZ :NH3+ -167:sc= -0.0978 (180deg=-0.393) 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= -0.181 K(o=-0.18,f=-0.69) 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= -4.34! K(o=-4.3!,f=-1) USER MOD Single : A 553 LYS NZ :NH3+ -115:sc= 0.535 (180deg=-0.00349) USER MOD Single : A 555 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 556 ASN : amide:sc= -0.322 K(o=-0.32,f=1) USER MOD Single : A 557 MET CE :methyl 139:sc= -1.32 (180deg=-3!) USER MOD Single : A 558 GLN : amide:sc=-0.00749 K(o=-0.0075,f=-1.2) USER MOD Single : A 564 GLN : amide:sc= -0.0182 X(o=-0.018,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 28 N ASP A 482 3.472 -4.555 -4.839 1.00 40.45 N ATOM 29 CA ASP A 482 4.042 -4.690 -6.175 1.00 4.32 C ATOM 30 C ASP A 482 2.956 -4.994 -7.202 1.00 12.44 C ATOM 31 O ASP A 482 2.995 -4.498 -8.328 1.00 11.43 O ATOM 32 CB ASP A 482 5.100 -5.794 -6.191 1.00 63.24 C ATOM 33 CG ASP A 482 6.302 -5.432 -7.042 1.00 20.03 C ATOM 34 OD1 ASP A 482 6.876 -6.342 -7.676 1.00 42.12 O ATOM 35 OD2 ASP A 482 6.668 -4.239 -7.074 1.00 12.45 O ATOM 0 HA ASP A 482 4.512 -3.743 -6.440 1.00 4.32 H new ATOM 0 HB2 ASP A 482 5.428 -5.994 -5.171 1.00 63.24 H new ATOM 0 HB3 ASP A 482 4.655 -6.714 -6.569 1.00 63.24 H new ATOM 40 N VAL A 483 1.987 -5.813 -6.806 1.00 11.04 N ATOM 41 CA VAL A 483 0.889 -6.183 -7.691 1.00 24.40 C ATOM 42 C VAL A 483 -0.454 -6.067 -6.979 1.00 61.15 C ATOM 43 O VAL A 483 -1.440 -5.617 -7.562 1.00 22.13 O ATOM 44 CB VAL A 483 1.055 -7.621 -8.220 1.00 2.54 C ATOM 45 CG1 VAL A 483 1.218 -8.598 -7.066 1.00 22.40 C ATOM 46 CG2 VAL A 483 -0.129 -8.006 -9.093 1.00 61.42 C ATOM 0 H VAL A 483 1.940 -6.233 -5.878 1.00 11.04 H new ATOM 0 HA VAL A 483 0.912 -5.489 -8.531 1.00 24.40 H new ATOM 0 HB VAL A 483 1.957 -7.664 -8.831 1.00 2.54 H new ATOM 0 HG11 VAL A 483 1.334 -9.608 -7.458 1.00 22.40 H new ATOM 0 HG12 VAL A 483 2.101 -8.331 -6.485 1.00 22.40 H new ATOM 0 HG13 VAL A 483 0.336 -8.556 -6.426 1.00 22.40 H new ATOM 0 HG21 VAL A 483 0.004 -9.024 -9.458 1.00 61.42 H new ATOM 0 HG22 VAL A 483 -1.047 -7.948 -8.508 1.00 61.42 H new ATOM 0 HG23 VAL A 483 -0.194 -7.322 -9.940 1.00 61.42 H new ATOM 56 N GLY A 484 -0.485 -6.476 -5.715 1.00 10.04 N ATOM 57 CA GLY A 484 -1.713 -6.409 -4.943 1.00 65.24 C ATOM 58 C GLY A 484 -2.118 -7.757 -4.380 1.00 65.03 C ATOM 59 O GLY A 484 -3.304 -8.031 -4.200 1.00 12.34 O ATOM 0 H GLY A 484 0.318 -6.853 -5.211 1.00 10.04 H new ATOM 0 HA2 GLY A 484 -1.586 -5.700 -4.125 1.00 65.24 H new ATOM 0 HA3 GLY A 484 -2.515 -6.027 -5.574 1.00 65.24 H new ATOM 63 N ASP A 485 -1.130 -8.602 -4.104 1.00 11.43 N ATOM 64 CA ASP A 485 -1.390 -9.929 -3.558 1.00 44.04 C ATOM 65 C ASP A 485 -2.244 -9.841 -2.298 1.00 33.02 C ATOM 66 O ASP A 485 -1.743 -9.533 -1.217 1.00 32.52 O ATOM 67 CB ASP A 485 -0.073 -10.642 -3.248 1.00 22.50 C ATOM 68 CG ASP A 485 -0.150 -12.135 -3.501 1.00 65.23 C ATOM 69 OD1 ASP A 485 -1.034 -12.792 -2.914 1.00 35.42 O ATOM 70 OD2 ASP A 485 0.675 -12.646 -4.288 1.00 32.23 O ATOM 0 H ASP A 485 -0.143 -8.392 -4.249 1.00 11.43 H new ATOM 0 HA ASP A 485 -1.938 -10.502 -4.306 1.00 44.04 H new ATOM 0 HB2 ASP A 485 0.722 -10.213 -3.859 1.00 22.50 H new ATOM 0 HB3 ASP A 485 0.196 -10.466 -2.206 1.00 22.50 H new ATOM 75 N MET A 486 -3.537 -10.112 -2.445 1.00 61.24 N ATOM 76 CA MET A 486 -4.461 -10.064 -1.318 1.00 51.43 C ATOM 77 C MET A 486 -5.220 -11.380 -1.180 1.00 43.23 C ATOM 78 O MET A 486 -5.934 -11.793 -2.093 1.00 51.43 O ATOM 79 CB MET A 486 -5.449 -8.908 -1.490 1.00 44.14 C ATOM 80 CG MET A 486 -5.663 -8.098 -0.222 1.00 44.53 C ATOM 81 SD MET A 486 -5.391 -6.333 -0.472 1.00 1.42 S ATOM 82 CE MET A 486 -6.463 -6.019 -1.872 1.00 35.44 C ATOM 0 H MET A 486 -3.968 -10.367 -3.333 1.00 61.24 H new ATOM 0 HA MET A 486 -3.879 -9.904 -0.410 1.00 51.43 H new ATOM 0 HB2 MET A 486 -5.088 -8.246 -2.277 1.00 44.14 H new ATOM 0 HB3 MET A 486 -6.407 -9.306 -1.823 1.00 44.14 H new ATOM 0 HG2 MET A 486 -6.679 -8.258 0.139 1.00 44.53 H new ATOM 0 HG3 MET A 486 -4.988 -8.460 0.554 1.00 44.53 H new ATOM 0 HE1 MET A 486 -6.871 -5.011 -1.799 1.00 35.44 H new ATOM 0 HE2 MET A 486 -5.892 -6.113 -2.796 1.00 35.44 H new ATOM 0 HE3 MET A 486 -7.279 -6.741 -1.874 1.00 35.44 H new ATOM 92 N GLN A 487 -5.059 -12.033 -0.034 1.00 2.00 N ATOM 93 CA GLN A 487 -5.728 -13.303 0.222 1.00 54.25 C ATOM 94 C GLN A 487 -6.004 -13.483 1.711 1.00 42.03 C ATOM 95 O GLN A 487 -5.583 -12.669 2.534 1.00 41.13 O ATOM 96 CB GLN A 487 -4.879 -14.465 -0.296 1.00 41.33 C ATOM 97 CG GLN A 487 -4.358 -14.255 -1.709 1.00 23.01 C ATOM 98 CD GLN A 487 -3.470 -15.391 -2.178 1.00 51.10 C ATOM 99 OE1 GLN A 487 -2.630 -15.888 -1.428 1.00 4.12 O ATOM 100 NE2 GLN A 487 -3.652 -15.809 -3.425 1.00 55.22 N ATOM 0 H GLN A 487 -4.471 -11.704 0.732 1.00 2.00 H new ATOM 0 HA GLN A 487 -6.681 -13.295 -0.307 1.00 54.25 H new ATOM 0 HB2 GLN A 487 -4.034 -14.614 0.376 1.00 41.33 H new ATOM 0 HB3 GLN A 487 -5.473 -15.379 -0.269 1.00 41.33 H new ATOM 0 HG2 GLN A 487 -5.201 -14.152 -2.392 1.00 23.01 H new ATOM 0 HG3 GLN A 487 -3.799 -13.320 -1.751 1.00 23.01 H new ATOM 0 HE21 GLN A 487 -4.360 -15.368 -4.012 1.00 55.22 H new ATOM 0 HE22 GLN A 487 -3.084 -16.571 -3.796 1.00 55.22 H new ATOM 109 N LEU A 488 -6.713 -14.554 2.051 1.00 50.43 N ATOM 110 CA LEU A 488 -7.045 -14.841 3.442 1.00 54.02 C ATOM 111 C LEU A 488 -6.314 -16.087 3.930 1.00 4.13 C ATOM 112 O LEU A 488 -6.637 -17.206 3.531 1.00 44.24 O ATOM 113 CB LEU A 488 -8.556 -15.029 3.598 1.00 45.44 C ATOM 114 CG LEU A 488 -9.103 -14.913 5.021 1.00 60.24 C ATOM 115 CD1 LEU A 488 -8.861 -13.518 5.574 1.00 4.32 C ATOM 116 CD2 LEU A 488 -10.587 -15.250 5.050 1.00 24.53 C ATOM 0 H LEU A 488 -7.069 -15.238 1.383 1.00 50.43 H new ATOM 0 HA LEU A 488 -6.726 -13.993 4.048 1.00 54.02 H new ATOM 0 HB2 LEU A 488 -9.060 -14.290 2.975 1.00 45.44 H new ATOM 0 HB3 LEU A 488 -8.822 -16.011 3.207 1.00 45.44 H new ATOM 0 HG LEU A 488 -8.575 -15.628 5.652 1.00 60.24 H new ATOM 0 HD11 LEU A 488 -9.257 -13.455 6.588 1.00 4.32 H new ATOM 0 HD12 LEU A 488 -7.790 -13.313 5.589 1.00 4.32 H new ATOM 0 HD13 LEU A 488 -9.362 -12.784 4.942 1.00 4.32 H new ATOM 0 HD21 LEU A 488 -10.960 -15.162 6.070 1.00 24.53 H new ATOM 0 HD22 LEU A 488 -11.130 -14.559 4.405 1.00 24.53 H new ATOM 0 HD23 LEU A 488 -10.735 -16.270 4.696 1.00 24.53 H new ATOM 128 N TYR A 489 -5.328 -15.886 4.798 1.00 12.40 N ATOM 129 CA TYR A 489 -4.550 -16.993 5.341 1.00 13.34 C ATOM 130 C TYR A 489 -4.969 -17.300 6.776 1.00 60.42 C ATOM 131 O TYR A 489 -4.787 -16.481 7.677 1.00 72.33 O ATOM 132 CB TYR A 489 -3.057 -16.666 5.293 1.00 3.02 C ATOM 133 CG TYR A 489 -2.643 -15.905 4.054 1.00 70.12 C ATOM 134 CD1 TYR A 489 -2.640 -14.516 4.037 1.00 51.34 C ATOM 135 CD2 TYR A 489 -2.256 -16.575 2.900 1.00 70.20 C ATOM 136 CE1 TYR A 489 -2.264 -13.816 2.906 1.00 24.14 C ATOM 137 CE2 TYR A 489 -1.877 -15.884 1.766 1.00 45.02 C ATOM 138 CZ TYR A 489 -1.882 -14.505 1.774 1.00 52.32 C ATOM 139 OH TYR A 489 -1.506 -13.812 0.645 1.00 32.45 O ATOM 0 H TYR A 489 -5.049 -14.967 5.140 1.00 12.40 H new ATOM 0 HA TYR A 489 -4.742 -17.874 4.729 1.00 13.34 H new ATOM 0 HB2 TYR A 489 -2.793 -16.080 6.174 1.00 3.02 H new ATOM 0 HB3 TYR A 489 -2.488 -17.594 5.346 1.00 3.02 H new ATOM 0 HD1 TYR A 489 -2.937 -13.974 4.923 1.00 51.34 H new ATOM 0 HD2 TYR A 489 -2.251 -17.655 2.890 1.00 70.20 H new ATOM 0 HE1 TYR A 489 -2.269 -12.736 2.909 1.00 24.14 H new ATOM 0 HE2 TYR A 489 -1.578 -16.421 0.878 1.00 45.02 H new ATOM 0 HH TYR A 489 -1.777 -14.314 -0.152 1.00 32.45 H new ATOM 149 N ARG A 490 -5.530 -18.488 6.980 1.00 51.24 N ATOM 150 CA ARG A 490 -5.976 -18.905 8.304 1.00 63.25 C ATOM 151 C ARG A 490 -4.958 -19.840 8.950 1.00 61.52 C ATOM 152 O ARG A 490 -4.505 -20.804 8.331 1.00 41.43 O ATOM 153 CB ARG A 490 -7.336 -19.599 8.212 1.00 61.21 C ATOM 154 CG ARG A 490 -7.325 -20.848 7.346 1.00 54.04 C ATOM 155 CD ARG A 490 -7.323 -22.112 8.191 1.00 60.24 C ATOM 156 NE ARG A 490 -8.675 -22.540 8.540 1.00 11.41 N ATOM 157 CZ ARG A 490 -8.976 -23.769 8.941 1.00 34.45 C ATOM 158 NH1 ARG A 490 -8.026 -24.688 9.044 1.00 72.40 N ATOM 159 NH2 ARG A 490 -10.231 -24.082 9.242 1.00 65.02 N ATOM 0 H ARG A 490 -5.686 -19.178 6.245 1.00 51.24 H new ATOM 0 HA ARG A 490 -6.072 -18.015 8.925 1.00 63.25 H new ATOM 0 HB2 ARG A 490 -7.667 -19.866 9.216 1.00 61.21 H new ATOM 0 HB3 ARG A 490 -8.067 -18.896 7.812 1.00 61.21 H new ATOM 0 HG2 ARG A 490 -8.198 -20.847 6.693 1.00 54.04 H new ATOM 0 HG3 ARG A 490 -6.445 -20.838 6.702 1.00 54.04 H new ATOM 0 HD2 ARG A 490 -6.819 -22.911 7.647 1.00 60.24 H new ATOM 0 HD3 ARG A 490 -6.751 -21.938 9.103 1.00 60.24 H new ATOM 0 HE ARG A 490 -9.429 -21.857 8.472 1.00 11.41 H new ATOM 0 HH11 ARG A 490 -7.061 -24.451 8.815 1.00 72.40 H new ATOM 0 HH12 ARG A 490 -8.260 -25.632 9.352 1.00 72.40 H new ATOM 0 HH21 ARG A 490 -10.965 -23.378 9.165 1.00 65.02 H new ATOM 0 HH22 ARG A 490 -10.461 -25.027 9.550 1.00 65.02 H new ATOM 173 N ILE A 491 -4.603 -19.549 10.197 1.00 72.52 N ATOM 174 CA ILE A 491 -3.640 -20.365 10.926 1.00 1.44 C ATOM 175 C ILE A 491 -4.337 -21.257 11.947 1.00 21.44 C ATOM 176 O ILE A 491 -5.528 -21.100 12.213 1.00 71.13 O ATOM 177 CB ILE A 491 -2.598 -19.492 11.651 1.00 51.32 C ATOM 178 CG1 ILE A 491 -3.260 -18.703 12.782 1.00 10.52 C ATOM 179 CG2 ILE A 491 -1.920 -18.550 10.667 1.00 51.00 C ATOM 180 CD1 ILE A 491 -2.297 -17.826 13.551 1.00 3.23 C ATOM 0 H ILE A 491 -4.968 -18.755 10.723 1.00 72.52 H new ATOM 0 HA ILE A 491 -3.132 -20.988 10.190 1.00 1.44 H new ATOM 0 HB ILE A 491 -1.838 -20.143 12.084 1.00 51.32 H new ATOM 0 HG12 ILE A 491 -4.052 -18.081 12.365 1.00 10.52 H new ATOM 0 HG13 ILE A 491 -3.734 -19.401 13.472 1.00 10.52 H new ATOM 0 HG21 ILE A 491 -1.187 -17.940 11.194 1.00 51.00 H new ATOM 0 HG22 ILE A 491 -1.419 -19.131 9.893 1.00 51.00 H new ATOM 0 HG23 ILE A 491 -2.668 -17.903 10.208 1.00 51.00 H new ATOM 0 HD11 ILE A 491 -2.835 -17.296 14.337 1.00 3.23 H new ATOM 0 HD12 ILE A 491 -1.519 -18.445 13.998 1.00 3.23 H new ATOM 0 HD13 ILE A 491 -1.842 -17.104 12.873 1.00 3.23 H new ATOM 192 N GLU A 492 -3.585 -22.193 12.518 1.00 21.41 N ATOM 193 CA GLU A 492 -4.131 -23.111 13.511 1.00 11.33 C ATOM 194 C GLU A 492 -3.798 -22.643 14.925 1.00 24.32 C ATOM 195 O GLU A 492 -3.282 -23.410 15.739 1.00 43.41 O ATOM 196 CB GLU A 492 -3.587 -24.523 13.288 1.00 62.15 C ATOM 197 CG GLU A 492 -4.344 -25.595 14.053 1.00 62.52 C ATOM 198 CD GLU A 492 -3.817 -26.990 13.777 1.00 32.52 C ATOM 199 OE1 GLU A 492 -4.388 -27.958 14.323 1.00 53.02 O ATOM 200 OE2 GLU A 492 -2.835 -27.115 13.017 1.00 44.11 O ATOM 0 H GLU A 492 -2.597 -22.335 12.310 1.00 21.41 H new ATOM 0 HA GLU A 492 -5.215 -23.126 13.397 1.00 11.33 H new ATOM 0 HB2 GLU A 492 -3.624 -24.754 12.223 1.00 62.15 H new ATOM 0 HB3 GLU A 492 -2.538 -24.550 13.583 1.00 62.15 H new ATOM 0 HG2 GLU A 492 -4.277 -25.390 15.121 1.00 62.52 H new ATOM 0 HG3 GLU A 492 -5.400 -25.550 13.786 1.00 62.52 H new ATOM 207 N VAL A 493 -4.095 -21.380 15.210 1.00 15.41 N ATOM 208 CA VAL A 493 -3.828 -20.809 16.525 1.00 53.10 C ATOM 209 C VAL A 493 -4.928 -19.837 16.936 1.00 53.31 C ATOM 210 O VAL A 493 -5.422 -19.060 16.119 1.00 33.43 O ATOM 211 CB VAL A 493 -2.474 -20.076 16.554 1.00 23.42 C ATOM 212 CG1 VAL A 493 -2.058 -19.779 17.987 1.00 60.22 C ATOM 213 CG2 VAL A 493 -1.410 -20.897 15.841 1.00 45.42 C ATOM 0 H VAL A 493 -4.521 -20.732 14.548 1.00 15.41 H new ATOM 0 HA VAL A 493 -3.799 -21.639 17.230 1.00 53.10 H new ATOM 0 HB VAL A 493 -2.582 -19.127 16.029 1.00 23.42 H new ATOM 0 HG11 VAL A 493 -1.099 -19.261 17.988 1.00 60.22 H new ATOM 0 HG12 VAL A 493 -2.811 -19.149 18.461 1.00 60.22 H new ATOM 0 HG13 VAL A 493 -1.966 -20.714 18.540 1.00 60.22 H new ATOM 0 HG21 VAL A 493 -0.459 -20.365 15.871 1.00 45.42 H new ATOM 0 HG22 VAL A 493 -1.302 -21.861 16.337 1.00 45.42 H new ATOM 0 HG23 VAL A 493 -1.706 -21.054 14.804 1.00 45.42 H new ATOM 223 N GLY A 494 -5.308 -19.885 18.209 1.00 2.34 N ATOM 224 CA GLY A 494 -6.347 -19.003 18.707 1.00 11.35 C ATOM 225 C GLY A 494 -6.160 -18.655 20.171 1.00 52.11 C ATOM 226 O GLY A 494 -5.117 -18.944 20.756 1.00 25.43 O ATOM 0 H GLY A 494 -4.915 -20.519 18.904 1.00 2.34 H new ATOM 0 HA2 GLY A 494 -6.355 -18.086 18.117 1.00 11.35 H new ATOM 0 HA3 GLY A 494 -7.319 -19.478 18.571 1.00 11.35 H new ATOM 230 N ARG A 495 -7.173 -18.031 20.763 1.00 0.42 N ATOM 231 CA ARG A 495 -7.114 -17.640 22.167 1.00 71.24 C ATOM 232 C ARG A 495 -6.830 -18.848 23.055 1.00 0.54 C ATOM 233 O ARG A 495 -6.194 -18.724 24.103 1.00 73.25 O ATOM 234 CB ARG A 495 -8.428 -16.980 22.590 1.00 44.22 C ATOM 235 CG ARG A 495 -9.658 -17.816 22.277 1.00 1.32 C ATOM 236 CD ARG A 495 -10.889 -17.285 22.995 1.00 21.24 C ATOM 237 NE ARG A 495 -12.044 -18.161 22.821 1.00 74.14 N ATOM 238 CZ ARG A 495 -13.296 -17.782 23.054 1.00 40.24 C ATOM 239 NH1 ARG A 495 -13.552 -16.549 23.468 1.00 13.23 N ATOM 240 NH2 ARG A 495 -14.294 -18.637 22.871 1.00 14.43 N ATOM 0 H ARG A 495 -8.044 -17.785 20.293 1.00 0.42 H new ATOM 0 HA ARG A 495 -6.301 -16.924 22.286 1.00 71.24 H new ATOM 0 HB2 ARG A 495 -8.397 -16.782 23.661 1.00 44.22 H new ATOM 0 HB3 ARG A 495 -8.518 -16.016 22.090 1.00 44.22 H new ATOM 0 HG2 ARG A 495 -9.835 -17.817 21.201 1.00 1.32 H new ATOM 0 HG3 ARG A 495 -9.481 -18.850 22.572 1.00 1.32 H new ATOM 0 HD2 ARG A 495 -10.671 -17.179 24.058 1.00 21.24 H new ATOM 0 HD3 ARG A 495 -11.128 -16.291 22.618 1.00 21.24 H new ATOM 0 HE ARG A 495 -11.881 -19.116 22.503 1.00 74.14 H new ATOM 0 HH11 ARG A 495 -12.787 -15.889 23.608 1.00 13.23 H new ATOM 0 HH12 ARG A 495 -14.514 -16.260 23.646 1.00 13.23 H new ATOM 0 HH21 ARG A 495 -14.100 -19.586 22.551 1.00 14.43 H new ATOM 0 HH22 ARG A 495 -15.255 -18.345 23.050 1.00 14.43 H new ATOM 254 N ASP A 496 -7.305 -20.013 22.631 1.00 55.02 N ATOM 255 CA ASP A 496 -7.102 -21.243 23.387 1.00 13.05 C ATOM 256 C ASP A 496 -5.670 -21.745 23.234 1.00 70.10 C ATOM 257 O ASP A 496 -5.194 -22.548 24.036 1.00 30.53 O ATOM 258 CB ASP A 496 -8.086 -22.319 22.925 1.00 23.54 C ATOM 259 CG ASP A 496 -8.448 -23.287 24.035 1.00 62.43 C ATOM 260 OD1 ASP A 496 -7.538 -23.696 24.786 1.00 22.42 O ATOM 261 OD2 ASP A 496 -9.641 -23.635 24.152 1.00 72.22 O ATOM 0 H ASP A 496 -7.834 -20.132 21.767 1.00 55.02 H new ATOM 0 HA ASP A 496 -7.281 -21.027 24.440 1.00 13.05 H new ATOM 0 HB2 ASP A 496 -8.993 -21.842 22.552 1.00 23.54 H new ATOM 0 HB3 ASP A 496 -7.651 -22.872 22.092 1.00 23.54 H new ATOM 266 N ASP A 497 -4.989 -21.267 22.198 1.00 30.43 N ATOM 267 CA ASP A 497 -3.611 -21.668 21.939 1.00 1.32 C ATOM 268 C ASP A 497 -2.631 -20.678 22.562 1.00 52.12 C ATOM 269 O ASP A 497 -1.603 -21.069 23.112 1.00 62.42 O ATOM 270 CB ASP A 497 -3.362 -21.772 20.434 1.00 51.03 C ATOM 271 CG ASP A 497 -2.052 -22.463 20.110 1.00 41.32 C ATOM 272 OD1 ASP A 497 -1.198 -22.572 21.015 1.00 15.53 O ATOM 273 OD2 ASP A 497 -1.880 -22.895 18.951 1.00 33.32 O ATOM 0 H ASP A 497 -5.369 -20.602 21.524 1.00 30.43 H new ATOM 0 HA ASP A 497 -3.451 -22.645 22.394 1.00 1.32 H new ATOM 0 HB2 ASP A 497 -4.183 -22.319 19.970 1.00 51.03 H new ATOM 0 HB3 ASP A 497 -3.359 -20.772 19.999 1.00 51.03 H new ATOM 278 N GLY A 498 -2.958 -19.392 22.470 1.00 61.20 N ATOM 279 CA GLY A 498 -2.096 -18.366 23.027 1.00 32.24 C ATOM 280 C GLY A 498 -1.877 -17.211 22.071 1.00 43.11 C ATOM 281 O GLY A 498 -0.795 -16.625 22.032 1.00 42.32 O ATOM 0 H GLY A 498 -3.804 -19.043 22.020 1.00 61.20 H new ATOM 0 HA2 GLY A 498 -2.534 -17.990 23.952 1.00 32.24 H new ATOM 0 HA3 GLY A 498 -1.133 -18.806 23.287 1.00 32.24 H new ATOM 285 N VAL A 499 -2.905 -16.883 21.295 1.00 13.15 N ATOM 286 CA VAL A 499 -2.820 -15.790 20.334 1.00 61.53 C ATOM 287 C VAL A 499 -4.073 -14.923 20.375 1.00 2.31 C ATOM 288 O VAL A 499 -5.163 -15.405 20.679 1.00 12.22 O ATOM 289 CB VAL A 499 -2.622 -16.319 18.901 1.00 44.45 C ATOM 290 CG1 VAL A 499 -3.937 -16.829 18.333 1.00 70.43 C ATOM 291 CG2 VAL A 499 -2.032 -15.235 18.011 1.00 54.35 C ATOM 0 H VAL A 499 -3.807 -17.359 21.313 1.00 13.15 H new ATOM 0 HA VAL A 499 -1.956 -15.187 20.615 1.00 61.53 H new ATOM 0 HB VAL A 499 -1.921 -17.153 18.934 1.00 44.45 H new ATOM 0 HG11 VAL A 499 -3.777 -17.199 17.320 1.00 70.43 H new ATOM 0 HG12 VAL A 499 -4.314 -17.638 18.959 1.00 70.43 H new ATOM 0 HG13 VAL A 499 -4.664 -16.017 18.312 1.00 70.43 H new ATOM 0 HG21 VAL A 499 -1.898 -15.625 17.002 1.00 54.35 H new ATOM 0 HG22 VAL A 499 -2.707 -14.380 17.983 1.00 54.35 H new ATOM 0 HG23 VAL A 499 -1.067 -14.922 18.410 1.00 54.35 H new ATOM 301 N GLU A 500 -3.908 -13.640 20.066 1.00 32.25 N ATOM 302 CA GLU A 500 -5.027 -12.705 20.069 1.00 40.01 C ATOM 303 C GLU A 500 -5.105 -11.947 18.747 1.00 52.21 C ATOM 304 O GLU A 500 -4.366 -12.238 17.806 1.00 31.25 O ATOM 305 CB GLU A 500 -4.892 -11.717 21.229 1.00 2.50 C ATOM 306 CG GLU A 500 -4.429 -12.359 22.526 1.00 62.44 C ATOM 307 CD GLU A 500 -5.285 -13.545 22.927 1.00 2.11 C ATOM 308 OE1 GLU A 500 -6.467 -13.585 22.526 1.00 11.25 O ATOM 309 OE2 GLU A 500 -4.773 -14.432 23.642 1.00 53.13 O ATOM 0 H GLU A 500 -3.012 -13.225 19.811 1.00 32.25 H new ATOM 0 HA GLU A 500 -5.946 -13.278 20.195 1.00 40.01 H new ATOM 0 HB2 GLU A 500 -4.186 -10.935 20.949 1.00 2.50 H new ATOM 0 HB3 GLU A 500 -5.854 -11.233 21.396 1.00 2.50 H new ATOM 0 HG2 GLU A 500 -3.394 -12.683 22.418 1.00 62.44 H new ATOM 0 HG3 GLU A 500 -4.449 -11.615 23.323 1.00 62.44 H new ATOM 316 N VAL A 501 -6.007 -10.972 18.683 1.00 71.33 N ATOM 317 CA VAL A 501 -6.183 -10.171 17.477 1.00 23.32 C ATOM 318 C VAL A 501 -5.065 -9.144 17.332 1.00 33.41 C ATOM 319 O VAL A 501 -4.667 -8.798 16.220 1.00 73.02 O ATOM 320 CB VAL A 501 -7.539 -9.441 17.481 1.00 22.02 C ATOM 321 CG1 VAL A 501 -7.669 -8.549 16.256 1.00 61.43 C ATOM 322 CG2 VAL A 501 -8.682 -10.442 17.546 1.00 33.11 C ATOM 0 H VAL A 501 -6.627 -10.718 19.452 1.00 71.33 H new ATOM 0 HA VAL A 501 -6.152 -10.859 16.632 1.00 23.32 H new ATOM 0 HB VAL A 501 -7.589 -8.809 18.368 1.00 22.02 H new ATOM 0 HG11 VAL A 501 -8.633 -8.041 16.276 1.00 61.43 H new ATOM 0 HG12 VAL A 501 -6.869 -7.809 16.259 1.00 61.43 H new ATOM 0 HG13 VAL A 501 -7.598 -9.157 15.354 1.00 61.43 H new ATOM 0 HG21 VAL A 501 -9.633 -9.909 17.548 1.00 33.11 H new ATOM 0 HG22 VAL A 501 -8.638 -11.102 16.679 1.00 33.11 H new ATOM 0 HG23 VAL A 501 -8.596 -11.034 18.457 1.00 33.11 H new ATOM 332 N ARG A 502 -4.563 -8.661 18.464 1.00 64.25 N ATOM 333 CA ARG A 502 -3.491 -7.673 18.463 1.00 42.13 C ATOM 334 C ARG A 502 -2.125 -8.352 18.448 1.00 23.41 C ATOM 335 O ARG A 502 -1.089 -7.687 18.411 1.00 60.11 O ATOM 336 CB ARG A 502 -3.607 -6.763 19.687 1.00 44.21 C ATOM 337 CG ARG A 502 -3.653 -7.518 21.005 1.00 30.01 C ATOM 338 CD ARG A 502 -3.385 -6.597 22.185 1.00 42.43 C ATOM 339 NE ARG A 502 -4.530 -5.741 22.482 1.00 0.51 N ATOM 340 CZ ARG A 502 -5.653 -6.182 23.037 1.00 74.25 C ATOM 341 NH1 ARG A 502 -5.781 -7.463 23.353 1.00 74.43 N ATOM 342 NH2 ARG A 502 -6.652 -5.341 23.276 1.00 25.43 N ATOM 0 H ARG A 502 -4.881 -8.938 19.393 1.00 64.25 H new ATOM 0 HA ARG A 502 -3.587 -7.070 17.560 1.00 42.13 H new ATOM 0 HB2 ARG A 502 -2.760 -6.077 19.701 1.00 44.21 H new ATOM 0 HB3 ARG A 502 -4.508 -6.156 19.594 1.00 44.21 H new ATOM 0 HG2 ARG A 502 -4.630 -7.987 21.123 1.00 30.01 H new ATOM 0 HG3 ARG A 502 -2.914 -8.319 20.992 1.00 30.01 H new ATOM 0 HD2 ARG A 502 -3.142 -7.195 23.063 1.00 42.43 H new ATOM 0 HD3 ARG A 502 -2.515 -5.977 21.970 1.00 42.43 H new ATOM 0 HE ARG A 502 -4.464 -4.750 22.250 1.00 0.51 H new ATOM 0 HH11 ARG A 502 -5.016 -8.112 23.170 1.00 74.43 H new ATOM 0 HH12 ARG A 502 -6.644 -7.799 23.779 1.00 74.43 H new ATOM 0 HH21 ARG A 502 -6.558 -4.355 23.033 1.00 25.43 H new ATOM 0 HH22 ARG A 502 -7.514 -5.681 23.702 1.00 25.43 H new ATOM 356 N HIS A 503 -2.130 -9.681 18.478 1.00 30.31 N ATOM 357 CA HIS A 503 -0.891 -10.451 18.468 1.00 32.33 C ATOM 358 C HIS A 503 -0.381 -10.641 17.043 1.00 2.11 C ATOM 359 O HIS A 503 0.745 -10.260 16.721 1.00 22.12 O ATOM 360 CB HIS A 503 -1.107 -11.812 19.131 1.00 63.44 C ATOM 361 CG HIS A 503 0.125 -12.363 19.781 1.00 34.44 C ATOM 362 ND1 HIS A 503 1.396 -11.919 19.484 1.00 32.43 N ATOM 363 CD2 HIS A 503 0.274 -13.327 20.720 1.00 0.35 C ATOM 364 CE1 HIS A 503 2.274 -12.587 20.211 1.00 0.12 C ATOM 365 NE2 HIS A 503 1.619 -13.447 20.970 1.00 0.22 N ATOM 0 H HIS A 503 -2.978 -10.247 18.509 1.00 30.31 H new ATOM 0 HA HIS A 503 -0.142 -9.895 19.032 1.00 32.33 H new ATOM 0 HB2 HIS A 503 -1.894 -11.721 19.880 1.00 63.44 H new ATOM 0 HB3 HIS A 503 -1.460 -12.520 18.382 1.00 63.44 H new ATOM 0 HD2 HIS A 503 -0.517 -13.896 21.186 1.00 0.35 H new ATOM 0 HE1 HIS A 503 3.345 -12.453 20.188 1.00 0.12 H new ATOM 0 HE2 HIS A 503 2.043 -14.095 21.634 1.00 0.22 H new ATOM 373 N ILE A 504 -1.215 -11.232 16.195 1.00 53.24 N ATOM 374 CA ILE A 504 -0.848 -11.471 14.805 1.00 61.34 C ATOM 375 C ILE A 504 -0.791 -10.166 14.018 1.00 11.13 C ATOM 376 O ILE A 504 -0.081 -10.062 13.018 1.00 53.51 O ATOM 377 CB ILE A 504 -1.839 -12.429 14.117 1.00 12.22 C ATOM 378 CG1 ILE A 504 -3.125 -11.687 13.746 1.00 44.43 C ATOM 379 CG2 ILE A 504 -2.147 -13.612 15.023 1.00 52.13 C ATOM 380 CD1 ILE A 504 -3.976 -11.318 14.940 1.00 34.13 C ATOM 0 H ILE A 504 -2.150 -11.554 16.446 1.00 53.24 H new ATOM 0 HA ILE A 504 0.141 -11.930 14.815 1.00 61.34 H new ATOM 0 HB ILE A 504 -1.382 -12.806 13.202 1.00 12.22 H new ATOM 0 HG12 ILE A 504 -2.867 -10.780 13.200 1.00 44.43 H new ATOM 0 HG13 ILE A 504 -3.712 -12.309 13.070 1.00 44.43 H new ATOM 0 HG21 ILE A 504 -2.848 -14.280 14.523 1.00 52.13 H new ATOM 0 HG22 ILE A 504 -1.226 -14.152 15.243 1.00 52.13 H new ATOM 0 HG23 ILE A 504 -2.588 -13.253 15.953 1.00 52.13 H new ATOM 0 HD11 ILE A 504 -4.870 -10.795 14.602 1.00 34.13 H new ATOM 0 HD12 ILE A 504 -4.265 -12.223 15.474 1.00 34.13 H new ATOM 0 HD13 ILE A 504 -3.407 -10.670 15.606 1.00 34.13 H new ATOM 392 N VAL A 505 -1.543 -9.171 14.479 1.00 42.13 N ATOM 393 CA VAL A 505 -1.576 -7.870 13.821 1.00 72.34 C ATOM 394 C VAL A 505 -0.363 -7.030 14.202 1.00 3.02 C ATOM 395 O VAL A 505 0.410 -6.610 13.342 1.00 12.40 O ATOM 396 CB VAL A 505 -2.858 -7.094 14.177 1.00 5.53 C ATOM 397 CG1 VAL A 505 -2.771 -5.661 13.674 1.00 52.23 C ATOM 398 CG2 VAL A 505 -4.081 -7.795 13.607 1.00 12.14 C ATOM 0 H VAL A 505 -2.137 -9.241 15.305 1.00 42.13 H new ATOM 0 HA VAL A 505 -1.560 -8.058 12.747 1.00 72.34 H new ATOM 0 HB VAL A 505 -2.957 -7.068 15.262 1.00 5.53 H new ATOM 0 HG11 VAL A 505 -3.685 -5.128 13.934 1.00 52.23 H new ATOM 0 HG12 VAL A 505 -1.917 -5.165 14.136 1.00 52.23 H new ATOM 0 HG13 VAL A 505 -2.648 -5.662 12.591 1.00 52.23 H new ATOM 0 HG21 VAL A 505 -4.977 -7.233 13.868 1.00 12.14 H new ATOM 0 HG22 VAL A 505 -3.994 -7.855 12.522 1.00 12.14 H new ATOM 0 HG23 VAL A 505 -4.150 -8.801 14.021 1.00 12.14 H new ATOM 408 N GLY A 506 -0.201 -6.789 15.500 1.00 41.11 N ATOM 409 CA GLY A 506 0.921 -6.000 15.973 1.00 2.15 C ATOM 410 C GLY A 506 2.257 -6.593 15.573 1.00 43.04 C ATOM 411 O GLY A 506 3.271 -5.896 15.550 1.00 65.31 O ATOM 0 H GLY A 506 -0.827 -7.126 16.232 1.00 41.11 H new ATOM 0 HA2 GLY A 506 0.843 -4.988 15.576 1.00 2.15 H new ATOM 0 HA3 GLY A 506 0.873 -5.920 17.059 1.00 2.15 H new ATOM 415 N ALA A 507 2.259 -7.884 15.257 1.00 41.01 N ATOM 416 CA ALA A 507 3.480 -8.570 14.855 1.00 65.41 C ATOM 417 C ALA A 507 3.875 -8.199 13.429 1.00 30.34 C ATOM 418 O ALA A 507 4.954 -7.655 13.196 1.00 5.21 O ATOM 419 CB ALA A 507 3.305 -10.077 14.981 1.00 4.50 C ATOM 0 H ALA A 507 1.428 -8.476 15.272 1.00 41.01 H new ATOM 0 HA ALA A 507 4.282 -8.251 15.521 1.00 65.41 H new ATOM 0 HB1 ALA A 507 4.225 -10.577 14.677 1.00 4.50 H new ATOM 0 HB2 ALA A 507 3.078 -10.332 16.016 1.00 4.50 H new ATOM 0 HB3 ALA A 507 2.486 -10.403 14.340 1.00 4.50 H new ATOM 425 N ILE A 508 2.995 -8.498 12.480 1.00 15.11 N ATOM 426 CA ILE A 508 3.252 -8.195 11.078 1.00 53.13 C ATOM 427 C ILE A 508 3.245 -6.690 10.830 1.00 22.23 C ATOM 428 O ILE A 508 3.958 -6.191 9.960 1.00 73.01 O ATOM 429 CB ILE A 508 2.210 -8.860 10.158 1.00 4.40 C ATOM 430 CG1 ILE A 508 0.808 -8.341 10.481 1.00 13.00 C ATOM 431 CG2 ILE A 508 2.267 -10.373 10.301 1.00 63.24 C ATOM 432 CD1 ILE A 508 0.390 -7.161 9.632 1.00 15.34 C ATOM 0 H ILE A 508 2.098 -8.950 12.656 1.00 15.11 H new ATOM 0 HA ILE A 508 4.239 -8.595 10.845 1.00 53.13 H new ATOM 0 HB ILE A 508 2.442 -8.603 9.124 1.00 4.40 H new ATOM 0 HG12 ILE A 508 0.090 -9.149 10.344 1.00 13.00 H new ATOM 0 HG13 ILE A 508 0.769 -8.054 11.532 1.00 13.00 H new ATOM 0 HG21 ILE A 508 1.525 -10.829 9.645 1.00 63.24 H new ATOM 0 HG22 ILE A 508 3.261 -10.727 10.026 1.00 63.24 H new ATOM 0 HG23 ILE A 508 2.056 -10.649 11.334 1.00 63.24 H new ATOM 0 HD11 ILE A 508 -0.614 -6.846 9.916 1.00 15.34 H new ATOM 0 HD12 ILE A 508 1.086 -6.337 9.787 1.00 15.34 H new ATOM 0 HD13 ILE A 508 0.396 -7.449 8.581 1.00 15.34 H new ATOM 444 N ALA A 509 2.437 -5.973 11.603 1.00 13.52 N ATOM 445 CA ALA A 509 2.340 -4.524 11.471 1.00 62.12 C ATOM 446 C ALA A 509 3.603 -3.841 11.983 1.00 4.33 C ATOM 447 O ALA A 509 3.929 -2.728 11.571 1.00 31.15 O ATOM 448 CB ALA A 509 1.118 -4.006 12.215 1.00 25.33 C ATOM 0 H ALA A 509 1.840 -6.371 12.328 1.00 13.52 H new ATOM 0 HA ALA A 509 2.234 -4.287 10.412 1.00 62.12 H new ATOM 0 HB1 ALA A 509 1.059 -2.923 12.108 1.00 25.33 H new ATOM 0 HB2 ALA A 509 0.219 -4.462 11.800 1.00 25.33 H new ATOM 0 HB3 ALA A 509 1.200 -4.262 13.271 1.00 25.33 H new ATOM 454 N ASN A 510 4.311 -4.514 12.885 1.00 72.03 N ATOM 455 CA ASN A 510 5.538 -3.970 13.455 1.00 62.24 C ATOM 456 C ASN A 510 6.763 -4.500 12.714 1.00 12.25 C ATOM 457 O ASN A 510 7.803 -3.845 12.669 1.00 5.12 O ATOM 458 CB ASN A 510 5.635 -4.322 14.940 1.00 12.05 C ATOM 459 CG ASN A 510 6.797 -3.629 15.624 1.00 3.44 C ATOM 460 OD1 ASN A 510 7.728 -4.278 16.102 1.00 52.20 O ATOM 461 ND2 ASN A 510 6.748 -2.302 15.675 1.00 63.55 N ATOM 0 H ASN A 510 4.056 -5.437 13.237 1.00 72.03 H new ATOM 0 HA ASN A 510 5.510 -2.886 13.347 1.00 62.24 H new ATOM 0 HB2 ASN A 510 4.706 -4.044 15.438 1.00 12.05 H new ATOM 0 HB3 ASN A 510 5.744 -5.401 15.048 1.00 12.05 H new ATOM 0 HD21 ASN A 510 7.501 -1.781 16.123 1.00 63.55 H new ATOM 0 HD22 ASN A 510 5.957 -1.805 15.266 1.00 63.55 H new ATOM 468 N GLU A 511 6.629 -5.689 12.136 1.00 63.13 N ATOM 469 CA GLU A 511 7.725 -6.306 11.398 1.00 63.21 C ATOM 470 C GLU A 511 8.063 -5.498 10.148 1.00 75.30 C ATOM 471 O GLU A 511 9.231 -5.247 9.854 1.00 35.42 O ATOM 472 CB GLU A 511 7.363 -7.741 11.009 1.00 65.11 C ATOM 473 CG GLU A 511 7.631 -8.756 12.108 1.00 43.32 C ATOM 474 CD GLU A 511 9.106 -8.880 12.440 1.00 34.11 C ATOM 475 OE1 GLU A 511 9.785 -9.723 11.816 1.00 14.34 O ATOM 476 OE2 GLU A 511 9.580 -8.136 13.323 1.00 2.03 O ATOM 0 H GLU A 511 5.774 -6.244 12.164 1.00 63.13 H new ATOM 0 HA GLU A 511 8.601 -6.323 12.046 1.00 63.21 H new ATOM 0 HB2 GLU A 511 6.308 -7.780 10.740 1.00 65.11 H new ATOM 0 HB3 GLU A 511 7.929 -8.022 10.121 1.00 65.11 H new ATOM 0 HG2 GLU A 511 7.083 -8.468 13.005 1.00 43.32 H new ATOM 0 HG3 GLU A 511 7.249 -9.729 11.800 1.00 43.32 H new ATOM 483 N GLY A 512 7.029 -5.094 9.415 1.00 64.22 N ATOM 484 CA GLY A 512 7.236 -4.320 8.205 1.00 41.00 C ATOM 485 C GLY A 512 6.597 -2.948 8.279 1.00 52.44 C ATOM 486 O GLY A 512 6.571 -2.323 9.339 1.00 24.34 O ATOM 0 H GLY A 512 6.053 -5.289 9.638 1.00 64.22 H new ATOM 0 HA2 GLY A 512 8.306 -4.210 8.026 1.00 41.00 H new ATOM 0 HA3 GLY A 512 6.825 -4.864 7.355 1.00 41.00 H new ATOM 490 N ASP A 513 6.081 -2.476 7.149 1.00 13.11 N ATOM 491 CA ASP A 513 5.439 -1.168 7.089 1.00 13.24 C ATOM 492 C ASP A 513 3.933 -1.291 7.304 1.00 64.03 C ATOM 493 O ASP A 513 3.247 -0.296 7.539 1.00 73.32 O ATOM 494 CB ASP A 513 5.722 -0.498 5.744 1.00 72.01 C ATOM 495 CG ASP A 513 5.711 1.015 5.837 1.00 53.23 C ATOM 496 OD1 ASP A 513 5.841 1.676 4.784 1.00 34.55 O ATOM 497 OD2 ASP A 513 5.571 1.539 6.961 1.00 2.14 O ATOM 0 H ASP A 513 6.095 -2.980 6.262 1.00 13.11 H new ATOM 0 HA ASP A 513 5.852 -0.551 7.887 1.00 13.24 H new ATOM 0 HB2 ASP A 513 6.692 -0.829 5.373 1.00 72.01 H new ATOM 0 HB3 ASP A 513 4.976 -0.820 5.017 1.00 72.01 H new ATOM 502 N ILE A 514 3.427 -2.517 7.220 1.00 43.33 N ATOM 503 CA ILE A 514 2.004 -2.769 7.404 1.00 33.24 C ATOM 504 C ILE A 514 1.496 -2.136 8.696 1.00 61.15 C ATOM 505 O ILE A 514 2.200 -2.110 9.705 1.00 63.02 O ATOM 506 CB ILE A 514 1.698 -4.279 7.431 1.00 5.54 C ATOM 507 CG1 ILE A 514 2.143 -4.934 6.122 1.00 32.34 C ATOM 508 CG2 ILE A 514 0.215 -4.515 7.672 1.00 52.44 C ATOM 509 CD1 ILE A 514 2.481 -6.402 6.266 1.00 10.31 C ATOM 0 H ILE A 514 3.982 -3.351 7.026 1.00 43.33 H new ATOM 0 HA ILE A 514 1.491 -2.318 6.554 1.00 33.24 H new ATOM 0 HB ILE A 514 2.255 -4.734 8.250 1.00 5.54 H new ATOM 0 HG12 ILE A 514 1.351 -4.823 5.382 1.00 32.34 H new ATOM 0 HG13 ILE A 514 3.015 -4.404 5.738 1.00 32.34 H new ATOM 0 HG21 ILE A 514 0.015 -5.586 7.688 1.00 52.44 H new ATOM 0 HG22 ILE A 514 -0.072 -4.078 8.628 1.00 52.44 H new ATOM 0 HG23 ILE A 514 -0.362 -4.050 6.872 1.00 52.44 H new ATOM 0 HD11 ILE A 514 2.788 -6.801 5.299 1.00 10.31 H new ATOM 0 HD12 ILE A 514 3.294 -6.520 6.982 1.00 10.31 H new ATOM 0 HD13 ILE A 514 1.604 -6.944 6.620 1.00 10.31 H new ATOM 521 N SER A 515 0.268 -1.628 8.656 1.00 25.13 N ATOM 522 CA SER A 515 -0.334 -0.993 9.823 1.00 63.03 C ATOM 523 C SER A 515 -1.554 -1.776 10.298 1.00 1.21 C ATOM 524 O SER A 515 -2.022 -2.689 9.619 1.00 75.22 O ATOM 525 CB SER A 515 -0.733 0.447 9.496 1.00 0.33 C ATOM 526 OG SER A 515 -0.637 1.275 10.642 1.00 12.24 O ATOM 0 H SER A 515 -0.329 -1.644 7.829 1.00 25.13 H new ATOM 0 HA SER A 515 0.405 -0.985 10.624 1.00 63.03 H new ATOM 0 HB2 SER A 515 -0.089 0.836 8.707 1.00 0.33 H new ATOM 0 HB3 SER A 515 -1.753 0.467 9.113 1.00 0.33 H new ATOM 0 HG SER A 515 -0.896 2.191 10.407 1.00 12.24 H new ATOM 532 N SER A 516 -2.064 -1.411 11.470 1.00 4.41 N ATOM 533 CA SER A 516 -3.227 -2.080 12.040 1.00 60.22 C ATOM 534 C SER A 516 -4.472 -1.815 11.199 1.00 12.32 C ATOM 535 O SER A 516 -5.432 -2.585 11.231 1.00 30.03 O ATOM 536 CB SER A 516 -3.459 -1.611 13.477 1.00 23.24 C ATOM 537 OG SER A 516 -4.116 -2.609 14.240 1.00 54.55 O ATOM 0 H SER A 516 -1.690 -0.655 12.043 1.00 4.41 H new ATOM 0 HA SER A 516 -3.033 -3.153 12.043 1.00 60.22 H new ATOM 0 HB2 SER A 516 -2.504 -1.364 13.941 1.00 23.24 H new ATOM 0 HB3 SER A 516 -4.057 -0.699 13.473 1.00 23.24 H new ATOM 0 HG SER A 516 -4.251 -2.285 15.155 1.00 54.55 H new ATOM 543 N ARG A 517 -4.448 -0.719 10.448 1.00 54.14 N ATOM 544 CA ARG A 517 -5.575 -0.350 9.599 1.00 11.21 C ATOM 545 C ARG A 517 -5.378 -0.868 8.178 1.00 62.34 C ATOM 546 O ARG A 517 -6.340 -1.224 7.496 1.00 1.44 O ATOM 547 CB ARG A 517 -5.750 1.170 9.579 1.00 21.24 C ATOM 548 CG ARG A 517 -4.486 1.923 9.197 1.00 14.31 C ATOM 549 CD ARG A 517 -4.776 3.389 8.914 1.00 72.05 C ATOM 550 NE ARG A 517 -5.206 3.605 7.535 1.00 74.03 N ATOM 551 CZ ARG A 517 -5.820 4.708 7.121 1.00 72.14 C ATOM 552 NH1 ARG A 517 -6.074 5.690 7.975 1.00 70.34 N ATOM 553 NH2 ARG A 517 -6.181 4.830 5.850 1.00 41.45 N ATOM 0 H ARG A 517 -3.661 -0.071 10.410 1.00 54.14 H new ATOM 0 HA ARG A 517 -6.474 -0.807 10.013 1.00 11.21 H new ATOM 0 HB2 ARG A 517 -6.542 1.427 8.876 1.00 21.24 H new ATOM 0 HB3 ARG A 517 -6.077 1.503 10.564 1.00 21.24 H new ATOM 0 HG2 ARG A 517 -3.756 1.844 10.003 1.00 14.31 H new ATOM 0 HG3 ARG A 517 -4.039 1.463 8.316 1.00 14.31 H new ATOM 0 HD2 ARG A 517 -5.550 3.744 9.595 1.00 72.05 H new ATOM 0 HD3 ARG A 517 -3.882 3.980 9.112 1.00 72.05 H new ATOM 0 HE ARG A 517 -5.025 2.869 6.853 1.00 74.03 H new ATOM 0 HH11 ARG A 517 -5.798 5.600 8.953 1.00 70.34 H new ATOM 0 HH12 ARG A 517 -6.546 6.536 7.654 1.00 70.34 H new ATOM 0 HH21 ARG A 517 -5.987 4.077 5.190 1.00 41.45 H new ATOM 0 HH22 ARG A 517 -6.652 5.677 5.533 1.00 41.45 H new ATOM 567 N TYR A 518 -4.125 -0.908 7.737 1.00 75.24 N ATOM 568 CA TYR A 518 -3.802 -1.380 6.395 1.00 31.25 C ATOM 569 C TYR A 518 -4.248 -2.827 6.205 1.00 53.44 C ATOM 570 O TYR A 518 -4.717 -3.206 5.131 1.00 33.53 O ATOM 571 CB TYR A 518 -2.299 -1.260 6.139 1.00 60.45 C ATOM 572 CG TYR A 518 -1.960 -0.561 4.841 1.00 12.05 C ATOM 573 CD1 TYR A 518 -2.555 -0.946 3.646 1.00 22.21 C ATOM 574 CD2 TYR A 518 -1.045 0.484 4.811 1.00 72.00 C ATOM 575 CE1 TYR A 518 -2.248 -0.311 2.458 1.00 0.34 C ATOM 576 CE2 TYR A 518 -0.734 1.126 3.628 1.00 5.23 C ATOM 577 CZ TYR A 518 -1.337 0.725 2.455 1.00 52.12 C ATOM 578 OH TYR A 518 -1.028 1.361 1.274 1.00 13.33 O ATOM 0 H TYR A 518 -3.317 -0.620 8.289 1.00 75.24 H new ATOM 0 HA TYR A 518 -4.337 -0.757 5.678 1.00 31.25 H new ATOM 0 HB2 TYR A 518 -1.840 -0.717 6.965 1.00 60.45 H new ATOM 0 HB3 TYR A 518 -1.860 -2.257 6.130 1.00 60.45 H new ATOM 0 HD1 TYR A 518 -3.270 -1.756 3.646 1.00 22.21 H new ATOM 0 HD2 TYR A 518 -0.569 0.800 5.728 1.00 72.00 H new ATOM 0 HE1 TYR A 518 -2.718 -0.624 1.537 1.00 0.34 H new ATOM 0 HE2 TYR A 518 -0.022 1.938 3.622 1.00 5.23 H new ATOM 0 HH TYR A 518 -0.371 2.068 1.445 1.00 13.33 H new ATOM 588 N ILE A 519 -4.099 -3.628 7.254 1.00 71.12 N ATOM 589 CA ILE A 519 -4.488 -5.032 7.203 1.00 0.03 C ATOM 590 C ILE A 519 -5.951 -5.183 6.802 1.00 33.00 C ATOM 591 O ILE A 519 -6.797 -4.374 7.181 1.00 3.33 O ATOM 592 CB ILE A 519 -4.265 -5.727 8.559 1.00 1.05 C ATOM 593 CG1 ILE A 519 -2.790 -5.650 8.960 1.00 32.11 C ATOM 594 CG2 ILE A 519 -4.727 -7.175 8.495 1.00 70.01 C ATOM 595 CD1 ILE A 519 -2.577 -5.420 10.440 1.00 73.00 C ATOM 0 H ILE A 519 -3.712 -3.329 8.149 1.00 71.12 H new ATOM 0 HA ILE A 519 -3.857 -5.507 6.452 1.00 0.03 H new ATOM 0 HB ILE A 519 -4.856 -5.211 9.316 1.00 1.05 H new ATOM 0 HG12 ILE A 519 -2.294 -6.576 8.669 1.00 32.11 H new ATOM 0 HG13 ILE A 519 -2.312 -4.844 8.403 1.00 32.11 H new ATOM 0 HG21 ILE A 519 -4.563 -7.652 9.461 1.00 70.01 H new ATOM 0 HG22 ILE A 519 -5.789 -7.208 8.250 1.00 70.01 H new ATOM 0 HG23 ILE A 519 -4.161 -7.704 7.728 1.00 70.01 H new ATOM 0 HD11 ILE A 519 -1.509 -5.376 10.651 1.00 73.00 H new ATOM 0 HD12 ILE A 519 -3.044 -4.479 10.733 1.00 73.00 H new ATOM 0 HD13 ILE A 519 -3.025 -6.238 11.004 1.00 73.00 H new ATOM 607 N GLY A 520 -6.244 -6.227 6.033 1.00 62.43 N ATOM 608 CA GLY A 520 -7.606 -6.467 5.594 1.00 71.21 C ATOM 609 C GLY A 520 -8.487 -7.005 6.704 1.00 23.13 C ATOM 610 O GLY A 520 -8.652 -6.363 7.741 1.00 64.33 O ATOM 0 H GLY A 520 -5.562 -6.911 5.706 1.00 62.43 H new ATOM 0 HA2 GLY A 520 -8.031 -5.538 5.215 1.00 71.21 H new ATOM 0 HA3 GLY A 520 -7.598 -7.175 4.765 1.00 71.21 H new ATOM 614 N ASN A 521 -9.055 -8.187 6.487 1.00 53.44 N ATOM 615 CA ASN A 521 -9.926 -8.810 7.477 1.00 51.32 C ATOM 616 C ASN A 521 -9.139 -9.763 8.371 1.00 43.32 C ATOM 617 O ASN A 521 -8.458 -10.666 7.884 1.00 33.54 O ATOM 618 CB ASN A 521 -11.063 -9.564 6.784 1.00 23.32 C ATOM 619 CG ASN A 521 -11.921 -8.656 5.925 1.00 3.40 C ATOM 620 OD1 ASN A 521 -12.391 -7.613 6.382 1.00 61.55 O ATOM 621 ND2 ASN A 521 -12.129 -9.048 4.674 1.00 64.24 N ATOM 0 H ASN A 521 -8.928 -8.732 5.635 1.00 53.44 H new ATOM 0 HA ASN A 521 -10.349 -8.022 8.100 1.00 51.32 H new ATOM 0 HB2 ASN A 521 -10.644 -10.357 6.164 1.00 23.32 H new ATOM 0 HB3 ASN A 521 -11.688 -10.044 7.537 1.00 23.32 H new ATOM 0 HD21 ASN A 521 -12.698 -8.477 4.049 1.00 64.24 H new ATOM 0 HD22 ASN A 521 -11.720 -9.920 4.338 1.00 64.24 H new ATOM 628 N ILE A 522 -9.237 -9.554 9.679 1.00 24.44 N ATOM 629 CA ILE A 522 -8.535 -10.396 10.641 1.00 12.20 C ATOM 630 C ILE A 522 -9.516 -11.118 11.558 1.00 14.12 C ATOM 631 O ILE A 522 -10.447 -10.512 12.091 1.00 61.44 O ATOM 632 CB ILE A 522 -7.557 -9.573 11.500 1.00 21.43 C ATOM 633 CG1 ILE A 522 -6.696 -8.673 10.612 1.00 53.13 C ATOM 634 CG2 ILE A 522 -6.681 -10.496 12.335 1.00 11.42 C ATOM 635 CD1 ILE A 522 -7.019 -7.201 10.750 1.00 62.50 C ATOM 0 H ILE A 522 -9.795 -8.810 10.097 1.00 24.44 H new ATOM 0 HA ILE A 522 -7.971 -11.131 10.066 1.00 12.20 H new ATOM 0 HB ILE A 522 -8.133 -8.940 12.175 1.00 21.43 H new ATOM 0 HG12 ILE A 522 -5.646 -8.831 10.858 1.00 53.13 H new ATOM 0 HG13 ILE A 522 -6.828 -8.970 9.571 1.00 53.13 H new ATOM 0 HG21 ILE A 522 -5.995 -9.900 12.937 1.00 11.42 H new ATOM 0 HG22 ILE A 522 -7.309 -11.099 12.991 1.00 11.42 H new ATOM 0 HG23 ILE A 522 -6.111 -11.151 11.676 1.00 11.42 H new ATOM 0 HD11 ILE A 522 -6.370 -6.623 10.092 1.00 62.50 H new ATOM 0 HD12 ILE A 522 -8.060 -7.030 10.476 1.00 62.50 H new ATOM 0 HD13 ILE A 522 -6.860 -6.889 11.782 1.00 62.50 H new ATOM 647 N LYS A 523 -9.301 -12.416 11.740 1.00 34.43 N ATOM 648 CA LYS A 523 -10.164 -13.223 12.596 1.00 40.42 C ATOM 649 C LYS A 523 -9.375 -13.818 13.758 1.00 50.23 C ATOM 650 O LYS A 523 -8.162 -14.011 13.664 1.00 51.14 O ATOM 651 CB LYS A 523 -10.819 -14.342 11.784 1.00 74.20 C ATOM 652 CG LYS A 523 -12.102 -14.871 12.402 1.00 20.13 C ATOM 653 CD LYS A 523 -12.444 -16.255 11.878 1.00 73.42 C ATOM 654 CE LYS A 523 -12.897 -16.205 10.427 1.00 71.44 C ATOM 655 NZ LYS A 523 -12.567 -17.462 9.699 1.00 44.23 N ATOM 0 H LYS A 523 -8.536 -12.933 11.306 1.00 34.43 H new ATOM 0 HA LYS A 523 -10.940 -12.575 13.002 1.00 40.42 H new ATOM 0 HB2 LYS A 523 -11.034 -13.974 10.781 1.00 74.20 H new ATOM 0 HB3 LYS A 523 -10.111 -15.164 11.677 1.00 74.20 H new ATOM 0 HG2 LYS A 523 -11.997 -14.907 13.486 1.00 20.13 H new ATOM 0 HG3 LYS A 523 -12.921 -14.186 12.184 1.00 20.13 H new ATOM 0 HD2 LYS A 523 -11.573 -16.904 11.966 1.00 73.42 H new ATOM 0 HD3 LYS A 523 -13.231 -16.693 12.491 1.00 73.42 H new ATOM 0 HE2 LYS A 523 -13.973 -16.035 10.388 1.00 71.44 H new ATOM 0 HE3 LYS A 523 -12.422 -15.361 9.927 1.00 71.44 H new ATOM 0 HZ1 LYS A 523 -12.719 -17.323 8.680 1.00 44.23 H new ATOM 0 HZ2 LYS A 523 -11.572 -17.711 9.870 1.00 44.23 H new ATOM 0 HZ3 LYS A 523 -13.180 -18.231 10.039 1.00 44.23 H new ATOM 669 N LEU A 524 -10.070 -14.108 14.852 1.00 54.12 N ATOM 670 CA LEU A 524 -9.435 -14.683 16.032 1.00 22.22 C ATOM 671 C LEU A 524 -10.367 -15.672 16.725 1.00 64.31 C ATOM 672 O LEU A 524 -11.172 -15.292 17.575 1.00 52.33 O ATOM 673 CB LEU A 524 -9.030 -13.577 17.008 1.00 12.10 C ATOM 674 CG LEU A 524 -8.055 -13.981 18.114 1.00 30.22 C ATOM 675 CD1 LEU A 524 -8.757 -14.835 19.159 1.00 40.11 C ATOM 676 CD2 LEU A 524 -6.863 -14.724 17.529 1.00 61.31 C ATOM 0 H LEU A 524 -11.074 -13.954 14.946 1.00 54.12 H new ATOM 0 HA LEU A 524 -8.542 -15.219 15.709 1.00 22.22 H new ATOM 0 HB2 LEU A 524 -8.584 -12.762 16.438 1.00 12.10 H new ATOM 0 HB3 LEU A 524 -9.933 -13.183 17.474 1.00 12.10 H new ATOM 0 HG LEU A 524 -7.691 -13.075 18.599 1.00 30.22 H new ATOM 0 HD11 LEU A 524 -8.047 -15.113 19.938 1.00 40.11 H new ATOM 0 HD12 LEU A 524 -9.577 -14.269 19.600 1.00 40.11 H new ATOM 0 HD13 LEU A 524 -9.150 -15.736 18.688 1.00 40.11 H new ATOM 0 HD21 LEU A 524 -6.180 -15.004 18.331 1.00 61.31 H new ATOM 0 HD22 LEU A 524 -7.209 -15.622 17.017 1.00 61.31 H new ATOM 0 HD23 LEU A 524 -6.345 -14.079 16.819 1.00 61.31 H new ATOM 688 N PHE A 525 -10.250 -16.944 16.358 1.00 61.14 N ATOM 689 CA PHE A 525 -11.081 -17.989 16.944 1.00 1.35 C ATOM 690 C PHE A 525 -10.398 -18.609 18.160 1.00 44.23 C ATOM 691 O PHE A 525 -9.411 -18.077 18.669 1.00 73.51 O ATOM 692 CB PHE A 525 -11.383 -19.072 15.907 1.00 35.23 C ATOM 693 CG PHE A 525 -12.836 -19.447 15.838 1.00 54.42 C ATOM 694 CD1 PHE A 525 -13.243 -20.748 16.086 1.00 42.31 C ATOM 695 CD2 PHE A 525 -13.796 -18.497 15.524 1.00 63.31 C ATOM 696 CE1 PHE A 525 -14.579 -21.096 16.023 1.00 11.42 C ATOM 697 CE2 PHE A 525 -15.133 -18.839 15.460 1.00 33.22 C ATOM 698 CZ PHE A 525 -15.525 -20.140 15.709 1.00 74.01 C ATOM 0 H PHE A 525 -9.587 -17.276 15.657 1.00 61.14 H new ATOM 0 HA PHE A 525 -12.018 -17.535 17.267 1.00 1.35 H new ATOM 0 HB2 PHE A 525 -11.058 -18.725 14.926 1.00 35.23 H new ATOM 0 HB3 PHE A 525 -10.797 -19.961 16.141 1.00 35.23 H new ATOM 0 HD1 PHE A 525 -12.507 -21.499 16.332 1.00 42.31 H new ATOM 0 HD2 PHE A 525 -13.495 -17.479 15.327 1.00 63.31 H new ATOM 0 HE1 PHE A 525 -14.883 -22.114 16.219 1.00 11.42 H new ATOM 0 HE2 PHE A 525 -15.871 -18.090 15.215 1.00 33.22 H new ATOM 0 HZ PHE A 525 -16.570 -20.409 15.658 1.00 74.01 H new ATOM 708 N ALA A 526 -10.930 -19.736 18.619 1.00 32.34 N ATOM 709 CA ALA A 526 -10.372 -20.430 19.773 1.00 21.13 C ATOM 710 C ALA A 526 -9.031 -21.072 19.432 1.00 13.13 C ATOM 711 O ALA A 526 -8.136 -21.145 20.273 1.00 23.54 O ATOM 712 CB ALA A 526 -11.348 -21.481 20.281 1.00 54.23 C ATOM 0 H ALA A 526 -11.747 -20.188 18.209 1.00 32.34 H new ATOM 0 HA ALA A 526 -10.204 -19.695 20.561 1.00 21.13 H new ATOM 0 HB1 ALA A 526 -10.918 -21.991 21.143 1.00 54.23 H new ATOM 0 HB2 ALA A 526 -12.281 -21.000 20.573 1.00 54.23 H new ATOM 0 HB3 ALA A 526 -11.545 -22.206 19.492 1.00 54.23 H new ATOM 718 N SER A 527 -8.901 -21.536 18.194 1.00 44.15 N ATOM 719 CA SER A 527 -7.670 -22.176 17.743 1.00 54.12 C ATOM 720 C SER A 527 -7.396 -21.854 16.277 1.00 73.42 C ATOM 721 O SER A 527 -6.814 -22.661 15.551 1.00 42.33 O ATOM 722 CB SER A 527 -7.758 -23.691 17.937 1.00 51.13 C ATOM 723 OG SER A 527 -7.846 -24.025 19.311 1.00 4.01 O ATOM 0 H SER A 527 -9.632 -21.481 17.485 1.00 44.15 H new ATOM 0 HA SER A 527 -6.846 -21.787 18.342 1.00 54.12 H new ATOM 0 HB2 SER A 527 -8.629 -24.078 17.409 1.00 51.13 H new ATOM 0 HB3 SER A 527 -6.881 -24.168 17.499 1.00 51.13 H new ATOM 0 HG SER A 527 -7.903 -24.999 19.408 1.00 4.01 H new ATOM 729 N HIS A 528 -7.821 -20.670 15.848 1.00 62.02 N ATOM 730 CA HIS A 528 -7.621 -20.240 14.468 1.00 33.14 C ATOM 731 C HIS A 528 -7.603 -18.718 14.371 1.00 2.41 C ATOM 732 O HIS A 528 -8.030 -18.022 15.292 1.00 12.22 O ATOM 733 CB HIS A 528 -8.722 -20.807 13.571 1.00 1.21 C ATOM 734 CG HIS A 528 -8.565 -22.268 13.281 1.00 51.33 C ATOM 735 ND1 HIS A 528 -7.786 -22.751 12.251 1.00 51.14 N ATOM 736 CD2 HIS A 528 -9.091 -23.354 13.894 1.00 54.32 C ATOM 737 CE1 HIS A 528 -7.841 -24.071 12.241 1.00 15.25 C ATOM 738 NE2 HIS A 528 -8.627 -24.462 13.229 1.00 43.30 N ATOM 0 H HIS A 528 -8.306 -19.991 16.435 1.00 62.02 H new ATOM 0 HA HIS A 528 -6.656 -20.619 14.131 1.00 33.14 H new ATOM 0 HB2 HIS A 528 -9.688 -20.641 14.047 1.00 1.21 H new ATOM 0 HB3 HIS A 528 -8.732 -20.257 12.630 1.00 1.21 H new ATOM 0 HD1 HIS A 528 -7.251 -22.178 11.598 1.00 51.14 H new ATOM 0 HD2 HIS A 528 -9.753 -23.350 14.748 1.00 54.32 H new ATOM 0 HE1 HIS A 528 -7.331 -24.720 11.544 1.00 15.25 H new ATOM 746 N SER A 529 -7.104 -18.207 13.250 1.00 73.03 N ATOM 747 CA SER A 529 -7.026 -16.767 13.034 1.00 2.01 C ATOM 748 C SER A 529 -6.708 -16.453 11.575 1.00 2.55 C ATOM 749 O SER A 529 -5.809 -17.048 10.981 1.00 60.34 O ATOM 750 CB SER A 529 -5.961 -16.151 13.944 1.00 15.02 C ATOM 751 OG SER A 529 -5.063 -17.139 14.419 1.00 0.52 O ATOM 0 H SER A 529 -6.748 -18.769 12.477 1.00 73.03 H new ATOM 0 HA SER A 529 -7.996 -16.334 13.277 1.00 2.01 H new ATOM 0 HB2 SER A 529 -5.409 -15.386 13.397 1.00 15.02 H new ATOM 0 HB3 SER A 529 -6.441 -15.656 14.788 1.00 15.02 H new ATOM 0 HG SER A 529 -5.412 -17.526 15.249 1.00 0.52 H new ATOM 757 N THR A 530 -7.452 -15.511 11.004 1.00 73.14 N ATOM 758 CA THR A 530 -7.252 -15.117 9.615 1.00 70.01 C ATOM 759 C THR A 530 -6.663 -13.714 9.521 1.00 71.21 C ATOM 760 O THR A 530 -6.651 -12.969 10.501 1.00 15.11 O ATOM 761 CB THR A 530 -8.572 -15.161 8.822 1.00 31.44 C ATOM 762 OG1 THR A 530 -9.403 -14.056 9.193 1.00 54.11 O ATOM 763 CG2 THR A 530 -9.312 -16.466 9.076 1.00 30.11 C ATOM 0 H THR A 530 -8.199 -15.007 11.482 1.00 73.14 H new ATOM 0 HA THR A 530 -6.553 -15.832 9.182 1.00 70.01 H new ATOM 0 HB THR A 530 -8.335 -15.096 7.760 1.00 31.44 H new ATOM 0 HG1 THR A 530 -10.239 -14.090 8.683 1.00 54.11 H new ATOM 0 HG21 THR A 530 -10.241 -16.474 8.506 1.00 30.11 H new ATOM 0 HG22 THR A 530 -8.688 -17.304 8.766 1.00 30.11 H new ATOM 0 HG23 THR A 530 -9.538 -16.555 10.139 1.00 30.11 H new ATOM 771 N ILE A 531 -6.176 -13.360 8.337 1.00 62.35 N ATOM 772 CA ILE A 531 -5.587 -12.045 8.115 1.00 21.42 C ATOM 773 C ILE A 531 -5.236 -11.841 6.646 1.00 43.45 C ATOM 774 O ILE A 531 -4.790 -12.767 5.969 1.00 4.15 O ATOM 775 CB ILE A 531 -4.319 -11.846 8.967 1.00 54.40 C ATOM 776 CG1 ILE A 531 -3.682 -10.489 8.661 1.00 0.44 C ATOM 777 CG2 ILE A 531 -3.328 -12.972 8.714 1.00 52.42 C ATOM 778 CD1 ILE A 531 -2.778 -9.984 9.764 1.00 42.20 C ATOM 0 H ILE A 531 -6.178 -13.965 7.516 1.00 62.35 H new ATOM 0 HA ILE A 531 -6.334 -11.310 8.413 1.00 21.42 H new ATOM 0 HB ILE A 531 -4.599 -11.866 10.020 1.00 54.40 H new ATOM 0 HG12 ILE A 531 -3.107 -10.566 7.738 1.00 0.44 H new ATOM 0 HG13 ILE A 531 -4.471 -9.758 8.485 1.00 0.44 H new ATOM 0 HG21 ILE A 531 -2.438 -12.817 9.323 1.00 52.42 H new ATOM 0 HG22 ILE A 531 -3.786 -13.926 8.977 1.00 52.42 H new ATOM 0 HG23 ILE A 531 -3.049 -12.982 7.660 1.00 52.42 H new ATOM 0 HD11 ILE A 531 -2.361 -9.018 9.479 1.00 42.20 H new ATOM 0 HD12 ILE A 531 -3.353 -9.874 10.684 1.00 42.20 H new ATOM 0 HD13 ILE A 531 -1.968 -10.695 9.925 1.00 42.20 H new ATOM 790 N GLU A 532 -5.439 -10.620 6.159 1.00 62.44 N ATOM 791 CA GLU A 532 -5.142 -10.294 4.769 1.00 73.24 C ATOM 792 C GLU A 532 -4.135 -9.151 4.681 1.00 72.10 C ATOM 793 O GLU A 532 -4.332 -8.089 5.273 1.00 45.34 O ATOM 794 CB GLU A 532 -6.425 -9.916 4.025 1.00 32.43 C ATOM 795 CG GLU A 532 -6.236 -9.756 2.526 1.00 25.33 C ATOM 796 CD GLU A 532 -7.483 -10.108 1.740 1.00 52.15 C ATOM 797 OE1 GLU A 532 -7.517 -11.203 1.140 1.00 63.01 O ATOM 798 OE2 GLU A 532 -8.425 -9.289 1.723 1.00 14.20 O ATOM 0 H GLU A 532 -5.807 -9.842 6.706 1.00 62.44 H new ATOM 0 HA GLU A 532 -4.706 -11.177 4.301 1.00 73.24 H new ATOM 0 HB2 GLU A 532 -7.179 -10.681 4.208 1.00 32.43 H new ATOM 0 HB3 GLU A 532 -6.811 -8.983 4.435 1.00 32.43 H new ATOM 0 HG2 GLU A 532 -5.952 -8.727 2.307 1.00 25.33 H new ATOM 0 HG3 GLU A 532 -5.413 -10.391 2.198 1.00 25.33 H new ATOM 805 N LEU A 533 -3.056 -9.377 3.939 1.00 13.35 N ATOM 806 CA LEU A 533 -2.017 -8.367 3.774 1.00 41.32 C ATOM 807 C LEU A 533 -1.991 -7.842 2.342 1.00 64.23 C ATOM 808 O LEU A 533 -2.043 -8.603 1.375 1.00 45.31 O ATOM 809 CB LEU A 533 -0.650 -8.948 4.141 1.00 14.33 C ATOM 810 CG LEU A 533 -0.089 -8.534 5.502 1.00 35.55 C ATOM 811 CD1 LEU A 533 -1.118 -8.770 6.598 1.00 71.15 C ATOM 812 CD2 LEU A 533 1.195 -9.293 5.803 1.00 61.24 C ATOM 0 H LEU A 533 -2.878 -10.250 3.443 1.00 13.35 H new ATOM 0 HA LEU A 533 -2.243 -7.536 4.442 1.00 41.32 H new ATOM 0 HB2 LEU A 533 -0.721 -10.035 4.115 1.00 14.33 H new ATOM 0 HB3 LEU A 533 0.065 -8.656 3.372 1.00 14.33 H new ATOM 0 HG LEU A 533 0.140 -7.469 5.470 1.00 35.55 H new ATOM 0 HD11 LEU A 533 -0.701 -8.470 7.559 1.00 71.15 H new ATOM 0 HD12 LEU A 533 -2.012 -8.182 6.391 1.00 71.15 H new ATOM 0 HD13 LEU A 533 -1.379 -9.828 6.630 1.00 71.15 H new ATOM 0 HD21 LEU A 533 1.580 -8.986 6.775 1.00 61.24 H new ATOM 0 HD22 LEU A 533 0.990 -10.364 5.816 1.00 61.24 H new ATOM 0 HD23 LEU A 533 1.936 -9.074 5.034 1.00 61.24 H new ATOM 824 N PRO A 534 -1.906 -6.511 2.200 1.00 21.02 N ATOM 825 CA PRO A 534 -1.868 -5.855 0.890 1.00 62.12 C ATOM 826 C PRO A 534 -0.561 -6.115 0.149 1.00 24.31 C ATOM 827 O PRO A 534 -0.406 -5.734 -1.011 1.00 63.03 O ATOM 828 CB PRO A 534 -2.001 -4.369 1.233 1.00 74.31 C ATOM 829 CG PRO A 534 -1.482 -4.254 2.624 1.00 11.44 C ATOM 830 CD PRO A 534 -1.840 -5.544 3.309 1.00 53.23 C ATOM 0 HA PRO A 534 -2.650 -6.225 0.226 1.00 62.12 H new ATOM 0 HB2 PRO A 534 -1.426 -3.751 0.544 1.00 74.31 H new ATOM 0 HB3 PRO A 534 -3.038 -4.039 1.169 1.00 74.31 H new ATOM 0 HG2 PRO A 534 -0.403 -4.098 2.626 1.00 11.44 H new ATOM 0 HG3 PRO A 534 -1.928 -3.403 3.138 1.00 11.44 H new ATOM 0 HD2 PRO A 534 -1.090 -5.829 4.047 1.00 53.23 H new ATOM 0 HD3 PRO A 534 -2.792 -5.469 3.835 1.00 53.23 H new ATOM 838 N LYS A 535 0.378 -6.767 0.827 1.00 63.34 N ATOM 839 CA LYS A 535 1.673 -7.081 0.233 1.00 54.21 C ATOM 840 C LYS A 535 1.504 -7.635 -1.178 1.00 50.33 C ATOM 841 O LYS A 535 0.542 -8.346 -1.465 1.00 65.35 O ATOM 842 CB LYS A 535 2.424 -8.091 1.102 1.00 23.14 C ATOM 843 CG LYS A 535 2.706 -7.592 2.509 1.00 34.42 C ATOM 844 CD LYS A 535 3.559 -6.335 2.495 1.00 60.30 C ATOM 845 CE LYS A 535 4.922 -6.594 1.871 1.00 10.13 C ATOM 846 NZ LYS A 535 5.647 -7.696 2.561 1.00 24.40 N ATOM 0 H LYS A 535 0.266 -7.088 1.789 1.00 63.34 H new ATOM 0 HA LYS A 535 2.252 -6.159 0.176 1.00 54.21 H new ATOM 0 HB2 LYS A 535 1.842 -9.010 1.162 1.00 23.14 H new ATOM 0 HB3 LYS A 535 3.368 -8.342 0.619 1.00 23.14 H new ATOM 0 HG2 LYS A 535 1.765 -7.388 3.019 1.00 34.42 H new ATOM 0 HG3 LYS A 535 3.214 -8.371 3.077 1.00 34.42 H new ATOM 0 HD2 LYS A 535 3.045 -5.552 1.938 1.00 60.30 H new ATOM 0 HD3 LYS A 535 3.687 -5.970 3.514 1.00 60.30 H new ATOM 0 HE2 LYS A 535 4.797 -6.845 0.818 1.00 10.13 H new ATOM 0 HE3 LYS A 535 5.520 -5.684 1.913 1.00 10.13 H new ATOM 0 HZ1 LYS A 535 6.643 -7.698 2.260 1.00 24.40 H new ATOM 0 HZ2 LYS A 535 5.597 -7.554 3.590 1.00 24.40 H new ATOM 0 HZ3 LYS A 535 5.209 -8.607 2.316 1.00 24.40 H new ATOM 860 N GLY A 536 2.447 -7.304 -2.056 1.00 31.23 N ATOM 861 CA GLY A 536 2.384 -7.779 -3.426 1.00 3.52 C ATOM 862 C GLY A 536 3.657 -8.482 -3.854 1.00 52.15 C ATOM 863 O GLY A 536 4.153 -8.262 -4.959 1.00 21.50 O ATOM 0 H GLY A 536 3.253 -6.716 -1.843 1.00 31.23 H new ATOM 0 HA2 GLY A 536 1.542 -8.463 -3.532 1.00 3.52 H new ATOM 0 HA3 GLY A 536 2.196 -6.936 -4.091 1.00 3.52 H new ATOM 867 N MET A 537 4.187 -9.329 -2.978 1.00 1.40 N ATOM 868 CA MET A 537 5.410 -10.066 -3.272 1.00 44.12 C ATOM 869 C MET A 537 5.750 -11.029 -2.140 1.00 21.54 C ATOM 870 O MET A 537 6.736 -10.858 -1.422 1.00 35.44 O ATOM 871 CB MET A 537 6.573 -9.098 -3.500 1.00 12.54 C ATOM 872 CG MET A 537 7.636 -9.636 -4.443 1.00 4.42 C ATOM 873 SD MET A 537 7.104 -9.630 -6.166 1.00 21.15 S ATOM 874 CE MET A 537 8.639 -9.220 -6.993 1.00 12.22 C ATOM 0 H MET A 537 3.789 -9.522 -2.059 1.00 1.40 H new ATOM 0 HA MET A 537 5.245 -10.645 -4.181 1.00 44.12 H new ATOM 0 HB2 MET A 537 6.183 -8.163 -3.901 1.00 12.54 H new ATOM 0 HB3 MET A 537 7.035 -8.865 -2.540 1.00 12.54 H new ATOM 0 HG2 MET A 537 8.541 -9.036 -4.344 1.00 4.42 H new ATOM 0 HG3 MET A 537 7.894 -10.654 -4.150 1.00 4.42 H new ATOM 0 HE1 MET A 537 8.473 -9.179 -8.069 1.00 12.22 H new ATOM 0 HE2 MET A 537 8.993 -8.250 -6.643 1.00 12.22 H new ATOM 0 HE3 MET A 537 9.387 -9.981 -6.771 1.00 12.22 H new ATOM 884 N PRO A 538 4.916 -12.067 -1.974 1.00 3.12 N ATOM 885 CA PRO A 538 5.109 -13.078 -0.930 1.00 35.01 C ATOM 886 C PRO A 538 6.318 -13.967 -1.199 1.00 51.14 C ATOM 887 O PRO A 538 7.053 -13.756 -2.163 1.00 71.12 O ATOM 888 CB PRO A 538 3.818 -13.899 -0.989 1.00 51.21 C ATOM 889 CG PRO A 538 3.321 -13.723 -2.382 1.00 53.04 C ATOM 890 CD PRO A 538 3.722 -12.333 -2.793 1.00 30.10 C ATOM 0 HA PRO A 538 5.300 -12.627 0.044 1.00 35.01 H new ATOM 0 HB2 PRO A 538 4.006 -14.949 -0.765 1.00 51.21 H new ATOM 0 HB3 PRO A 538 3.089 -13.544 -0.261 1.00 51.21 H new ATOM 0 HG2 PRO A 538 3.756 -14.468 -3.048 1.00 53.04 H new ATOM 0 HG3 PRO A 538 2.239 -13.847 -2.429 1.00 53.04 H new ATOM 0 HD2 PRO A 538 3.945 -12.277 -3.859 1.00 30.10 H new ATOM 0 HD3 PRO A 538 2.930 -11.611 -2.595 1.00 30.10 H new ATOM 898 N GLY A 539 6.518 -14.963 -0.341 1.00 41.51 N ATOM 899 CA GLY A 539 7.640 -15.869 -0.505 1.00 12.32 C ATOM 900 C GLY A 539 8.870 -15.411 0.254 1.00 70.43 C ATOM 901 O GLY A 539 9.936 -16.015 0.140 1.00 3.21 O ATOM 0 H GLY A 539 5.923 -15.159 0.464 1.00 41.51 H new ATOM 0 HA2 GLY A 539 7.354 -16.863 -0.161 1.00 12.32 H new ATOM 0 HA3 GLY A 539 7.882 -15.955 -1.564 1.00 12.32 H new ATOM 905 N GLU A 540 8.722 -14.341 1.028 1.00 20.12 N ATOM 906 CA GLU A 540 9.832 -13.803 1.806 1.00 53.50 C ATOM 907 C GLU A 540 10.035 -14.602 3.090 1.00 61.34 C ATOM 908 O GLU A 540 11.123 -15.118 3.348 1.00 40.55 O ATOM 909 CB GLU A 540 9.581 -12.331 2.143 1.00 34.31 C ATOM 910 CG GLU A 540 9.027 -11.526 0.980 1.00 61.15 C ATOM 911 CD GLU A 540 9.216 -10.033 1.162 1.00 54.53 C ATOM 912 OE1 GLU A 540 9.008 -9.542 2.292 1.00 71.54 O ATOM 913 OE2 GLU A 540 9.570 -9.354 0.175 1.00 2.03 O ATOM 0 H GLU A 540 7.846 -13.830 1.133 1.00 20.12 H new ATOM 0 HA GLU A 540 10.736 -13.882 1.203 1.00 53.50 H new ATOM 0 HB2 GLU A 540 8.884 -12.272 2.979 1.00 34.31 H new ATOM 0 HB3 GLU A 540 10.516 -11.878 2.475 1.00 34.31 H new ATOM 0 HG2 GLU A 540 9.517 -11.841 0.059 1.00 61.15 H new ATOM 0 HG3 GLU A 540 7.965 -11.743 0.866 1.00 61.15 H new ATOM 920 N VAL A 541 8.980 -14.701 3.892 1.00 72.11 N ATOM 921 CA VAL A 541 9.041 -15.438 5.149 1.00 41.15 C ATOM 922 C VAL A 541 8.846 -16.932 4.919 1.00 23.43 C ATOM 923 O VAL A 541 9.418 -17.760 5.630 1.00 35.51 O ATOM 924 CB VAL A 541 7.977 -14.939 6.144 1.00 72.30 C ATOM 925 CG1 VAL A 541 8.134 -15.636 7.487 1.00 13.10 C ATOM 926 CG2 VAL A 541 8.064 -13.429 6.304 1.00 33.01 C ATOM 0 H VAL A 541 8.072 -14.280 3.694 1.00 72.11 H new ATOM 0 HA VAL A 541 10.031 -15.265 5.571 1.00 41.15 H new ATOM 0 HB VAL A 541 6.991 -15.183 5.748 1.00 72.30 H new ATOM 0 HG11 VAL A 541 7.374 -15.271 8.178 1.00 13.10 H new ATOM 0 HG12 VAL A 541 8.017 -16.712 7.355 1.00 13.10 H new ATOM 0 HG13 VAL A 541 9.124 -15.426 7.893 1.00 13.10 H new ATOM 0 HG21 VAL A 541 7.305 -13.094 7.011 1.00 33.01 H new ATOM 0 HG22 VAL A 541 9.052 -13.159 6.677 1.00 33.01 H new ATOM 0 HG23 VAL A 541 7.898 -12.951 5.339 1.00 33.01 H new ATOM 936 N LEU A 542 8.037 -17.272 3.922 1.00 14.33 N ATOM 937 CA LEU A 542 7.766 -18.668 3.598 1.00 41.02 C ATOM 938 C LEU A 542 9.035 -19.375 3.132 1.00 41.40 C ATOM 939 O LEU A 542 9.137 -20.599 3.204 1.00 14.13 O ATOM 940 CB LEU A 542 6.690 -18.761 2.515 1.00 70.05 C ATOM 941 CG LEU A 542 5.385 -18.016 2.799 1.00 44.34 C ATOM 942 CD1 LEU A 542 4.507 -17.984 1.557 1.00 23.44 C ATOM 943 CD2 LEU A 542 4.645 -18.660 3.962 1.00 63.24 C ATOM 0 H LEU A 542 7.557 -16.600 3.324 1.00 14.33 H new ATOM 0 HA LEU A 542 7.408 -19.162 4.501 1.00 41.02 H new ATOM 0 HB2 LEU A 542 7.107 -18.380 1.583 1.00 70.05 H new ATOM 0 HB3 LEU A 542 6.456 -19.813 2.353 1.00 70.05 H new ATOM 0 HG LEU A 542 5.628 -16.989 3.073 1.00 44.34 H new ATOM 0 HD11 LEU A 542 3.583 -17.450 1.778 1.00 23.44 H new ATOM 0 HD12 LEU A 542 5.036 -17.476 0.751 1.00 23.44 H new ATOM 0 HD13 LEU A 542 4.272 -19.003 1.251 1.00 23.44 H new ATOM 0 HD21 LEU A 542 3.719 -18.117 4.150 1.00 63.24 H new ATOM 0 HD22 LEU A 542 4.414 -19.697 3.717 1.00 63.24 H new ATOM 0 HD23 LEU A 542 5.271 -18.629 4.854 1.00 63.24 H new ATOM 955 N GLN A 543 10.000 -18.594 2.656 1.00 21.23 N ATOM 956 CA GLN A 543 11.263 -19.146 2.180 1.00 1.14 C ATOM 957 C GLN A 543 12.227 -19.377 3.339 1.00 21.43 C ATOM 958 O GLN A 543 12.671 -20.501 3.576 1.00 63.41 O ATOM 959 CB GLN A 543 11.899 -18.208 1.152 1.00 35.15 C ATOM 960 CG GLN A 543 11.530 -18.541 -0.284 1.00 50.13 C ATOM 961 CD GLN A 543 12.431 -19.601 -0.887 1.00 52.44 C ATOM 962 OE1 GLN A 543 12.022 -20.747 -1.072 1.00 60.34 O ATOM 963 NE2 GLN A 543 13.665 -19.222 -1.198 1.00 40.11 N ATOM 0 H GLN A 543 9.931 -17.578 2.590 1.00 21.23 H new ATOM 0 HA GLN A 543 11.056 -20.106 1.707 1.00 1.14 H new ATOM 0 HB2 GLN A 543 11.594 -17.184 1.369 1.00 35.15 H new ATOM 0 HB3 GLN A 543 12.983 -18.247 1.258 1.00 35.15 H new ATOM 0 HG2 GLN A 543 10.496 -18.885 -0.319 1.00 50.13 H new ATOM 0 HG3 GLN A 543 11.585 -17.636 -0.889 1.00 50.13 H new ATOM 0 HE21 GLN A 543 13.962 -18.261 -1.027 1.00 40.11 H new ATOM 0 HE22 GLN A 543 14.316 -19.892 -1.608 1.00 40.11 H new ATOM 972 N HIS A 544 12.547 -18.307 4.059 1.00 4.22 N ATOM 973 CA HIS A 544 13.459 -18.394 5.194 1.00 2.43 C ATOM 974 C HIS A 544 12.830 -19.185 6.337 1.00 2.22 C ATOM 975 O HIS A 544 13.404 -20.162 6.819 1.00 2.42 O ATOM 976 CB HIS A 544 13.841 -16.994 5.677 1.00 11.11 C ATOM 977 CG HIS A 544 14.750 -16.264 4.738 1.00 43.44 C ATOM 978 ND1 HIS A 544 14.556 -16.235 3.373 1.00 44.53 N ATOM 979 CD2 HIS A 544 15.864 -15.531 4.974 1.00 53.04 C ATOM 980 CE1 HIS A 544 15.512 -15.517 2.810 1.00 61.14 C ATOM 981 NE2 HIS A 544 16.318 -15.078 3.759 1.00 23.34 N ATOM 0 H HIS A 544 12.189 -17.370 3.877 1.00 4.22 H new ATOM 0 HA HIS A 544 14.358 -18.915 4.866 1.00 2.43 H new ATOM 0 HB2 HIS A 544 12.933 -16.408 5.820 1.00 11.11 H new ATOM 0 HB3 HIS A 544 14.326 -17.074 6.650 1.00 11.11 H new ATOM 0 HD2 HIS A 544 16.312 -15.338 5.938 1.00 53.04 H new ATOM 0 HE1 HIS A 544 15.616 -15.322 1.753 1.00 61.14 H new ATOM 0 HE2 HIS A 544 17.144 -14.497 3.614 1.00 23.34 H new ATOM 989 N PHE A 545 11.648 -18.756 6.767 1.00 71.23 N ATOM 990 CA PHE A 545 10.942 -19.424 7.854 1.00 12.52 C ATOM 991 C PHE A 545 10.078 -20.564 7.323 1.00 3.10 C ATOM 992 O PHE A 545 8.920 -20.715 7.712 1.00 14.12 O ATOM 993 CB PHE A 545 10.071 -18.422 8.616 1.00 44.21 C ATOM 994 CG PHE A 545 10.831 -17.620 9.633 1.00 2.24 C ATOM 995 CD1 PHE A 545 11.105 -18.146 10.886 1.00 42.24 C ATOM 996 CD2 PHE A 545 11.271 -16.339 9.338 1.00 70.52 C ATOM 997 CE1 PHE A 545 11.805 -17.410 11.824 1.00 35.52 C ATOM 998 CE2 PHE A 545 11.971 -15.600 10.272 1.00 10.31 C ATOM 999 CZ PHE A 545 12.237 -16.135 11.517 1.00 20.32 C ATOM 0 H PHE A 545 11.159 -17.949 6.379 1.00 71.23 H new ATOM 0 HA PHE A 545 11.685 -19.841 8.534 1.00 12.52 H new ATOM 0 HB2 PHE A 545 9.605 -17.742 7.903 1.00 44.21 H new ATOM 0 HB3 PHE A 545 9.266 -18.960 9.117 1.00 44.21 H new ATOM 0 HD1 PHE A 545 10.768 -19.142 11.132 1.00 42.24 H new ATOM 0 HD2 PHE A 545 11.064 -15.914 8.367 1.00 70.52 H new ATOM 0 HE1 PHE A 545 12.014 -17.832 12.796 1.00 35.52 H new ATOM 0 HE2 PHE A 545 12.310 -14.604 10.029 1.00 10.31 H new ATOM 0 HZ PHE A 545 12.782 -15.557 12.249 1.00 20.32 H new ATOM 1009 N THR A 546 10.651 -21.365 6.430 1.00 33.40 N ATOM 1010 CA THR A 546 9.935 -22.491 5.843 1.00 35.03 C ATOM 1011 C THR A 546 9.928 -23.690 6.785 1.00 43.21 C ATOM 1012 O THR A 546 9.048 -24.547 6.707 1.00 25.42 O ATOM 1013 CB THR A 546 10.556 -22.912 4.498 1.00 34.42 C ATOM 1014 OG1 THR A 546 9.675 -23.809 3.811 1.00 0.34 O ATOM 1015 CG2 THR A 546 11.904 -23.583 4.711 1.00 5.33 C ATOM 0 H THR A 546 11.609 -21.255 6.097 1.00 33.40 H new ATOM 0 HA THR A 546 8.910 -22.160 5.674 1.00 35.03 H new ATOM 0 HB THR A 546 10.705 -22.016 3.895 1.00 34.42 H new ATOM 0 HG1 THR A 546 10.076 -24.071 2.956 1.00 0.34 H new ATOM 0 HG21 THR A 546 12.323 -23.872 3.747 1.00 5.33 H new ATOM 0 HG22 THR A 546 12.581 -22.889 5.208 1.00 5.33 H new ATOM 0 HG23 THR A 546 11.775 -24.470 5.331 1.00 5.33 H new ATOM 1023 N ARG A 547 10.914 -23.743 7.674 1.00 4.13 N ATOM 1024 CA ARG A 547 11.022 -24.838 8.631 1.00 1.41 C ATOM 1025 C ARG A 547 10.669 -24.366 10.039 1.00 74.33 C ATOM 1026 O ARG A 547 10.298 -25.166 10.899 1.00 72.13 O ATOM 1027 CB ARG A 547 12.437 -25.418 8.617 1.00 63.44 C ATOM 1028 CG ARG A 547 13.514 -24.409 8.980 1.00 13.24 C ATOM 1029 CD ARG A 547 14.264 -23.927 7.749 1.00 44.40 C ATOM 1030 NE ARG A 547 15.450 -24.736 7.479 1.00 52.30 N ATOM 1031 CZ ARG A 547 16.587 -24.622 8.156 1.00 30.21 C ATOM 1032 NH1 ARG A 547 16.692 -23.738 9.139 1.00 71.04 N ATOM 1033 NH2 ARG A 547 17.622 -25.394 7.851 1.00 21.43 N ATOM 0 H ARG A 547 11.650 -23.041 7.752 1.00 4.13 H new ATOM 0 HA ARG A 547 10.315 -25.614 8.338 1.00 1.41 H new ATOM 0 HB2 ARG A 547 12.485 -26.254 9.315 1.00 63.44 H new ATOM 0 HB3 ARG A 547 12.646 -25.819 7.625 1.00 63.44 H new ATOM 0 HG2 ARG A 547 13.060 -23.558 9.487 1.00 13.24 H new ATOM 0 HG3 ARG A 547 14.216 -24.861 9.681 1.00 13.24 H new ATOM 0 HD2 ARG A 547 13.600 -23.957 6.885 1.00 44.40 H new ATOM 0 HD3 ARG A 547 14.559 -22.887 7.888 1.00 44.40 H new ATOM 0 HE ARG A 547 15.402 -25.426 6.730 1.00 52.30 H new ATOM 0 HH11 ARG A 547 15.898 -23.143 9.377 1.00 71.04 H new ATOM 0 HH12 ARG A 547 17.567 -23.653 9.657 1.00 71.04 H new ATOM 0 HH21 ARG A 547 17.545 -26.076 7.096 1.00 21.43 H new ATOM 0 HH22 ARG A 547 18.495 -25.306 8.371 1.00 21.43 H new ATOM 1047 N THR A 548 10.786 -23.062 10.268 1.00 63.04 N ATOM 1048 CA THR A 548 10.481 -22.484 11.570 1.00 22.13 C ATOM 1049 C THR A 548 9.298 -21.527 11.484 1.00 74.43 C ATOM 1050 O THR A 548 9.205 -20.722 10.558 1.00 42.44 O ATOM 1051 CB THR A 548 11.694 -21.731 12.149 1.00 61.21 C ATOM 1052 OG1 THR A 548 12.802 -22.626 12.294 1.00 23.25 O ATOM 1053 CG2 THR A 548 11.355 -21.113 13.497 1.00 55.13 C ATOM 0 H THR A 548 11.090 -22.386 9.568 1.00 63.04 H new ATOM 0 HA THR A 548 10.227 -23.313 12.231 1.00 22.13 H new ATOM 0 HB THR A 548 11.961 -20.931 11.458 1.00 61.21 H new ATOM 0 HG1 THR A 548 13.570 -22.140 12.661 1.00 23.25 H new ATOM 0 HG21 THR A 548 12.227 -20.587 13.886 1.00 55.13 H new ATOM 0 HG22 THR A 548 10.530 -20.410 13.378 1.00 55.13 H new ATOM 0 HG23 THR A 548 11.064 -21.898 14.195 1.00 55.13 H new ATOM 1061 N ARG A 549 8.395 -21.621 12.454 1.00 32.05 N ATOM 1062 CA ARG A 549 7.216 -20.763 12.487 1.00 22.41 C ATOM 1063 C ARG A 549 6.693 -20.613 13.912 1.00 14.14 C ATOM 1064 O ARG A 549 7.223 -21.215 14.846 1.00 65.51 O ATOM 1065 CB ARG A 549 6.119 -21.334 11.587 1.00 71.11 C ATOM 1066 CG ARG A 549 6.307 -21.006 10.115 1.00 70.23 C ATOM 1067 CD ARG A 549 6.743 -22.229 9.323 1.00 61.11 C ATOM 1068 NE ARG A 549 5.789 -23.328 9.443 1.00 54.10 N ATOM 1069 CZ ARG A 549 6.101 -24.600 9.222 1.00 31.14 C ATOM 1070 NH1 ARG A 549 7.336 -24.932 8.873 1.00 50.12 N ATOM 1071 NH2 ARG A 549 5.177 -25.543 9.352 1.00 32.41 N ATOM 0 H ARG A 549 8.457 -22.283 13.228 1.00 32.05 H new ATOM 0 HA ARG A 549 7.503 -19.778 12.118 1.00 22.41 H new ATOM 0 HB2 ARG A 549 6.088 -22.417 11.708 1.00 71.11 H new ATOM 0 HB3 ARG A 549 5.154 -20.949 11.916 1.00 71.11 H new ATOM 0 HG2 ARG A 549 5.374 -20.619 9.705 1.00 70.23 H new ATOM 0 HG3 ARG A 549 7.052 -20.218 10.009 1.00 70.23 H new ATOM 0 HD2 ARG A 549 6.855 -21.960 8.273 1.00 61.11 H new ATOM 0 HD3 ARG A 549 7.721 -22.558 9.674 1.00 61.11 H new ATOM 0 HE ARG A 549 4.830 -23.107 9.711 1.00 54.10 H new ATOM 0 HH11 ARG A 549 8.049 -24.210 8.774 1.00 50.12 H new ATOM 0 HH12 ARG A 549 7.573 -25.910 8.704 1.00 50.12 H new ATOM 0 HH21 ARG A 549 4.226 -25.291 9.622 1.00 32.41 H new ATOM 0 HH22 ARG A 549 5.418 -26.520 9.182 1.00 32.41 H new ATOM 1085 N ILE A 550 5.650 -19.805 14.072 1.00 74.32 N ATOM 1086 CA ILE A 550 5.055 -19.576 15.383 1.00 74.44 C ATOM 1087 C ILE A 550 3.691 -18.905 15.258 1.00 70.43 C ATOM 1088 O ILE A 550 3.216 -18.641 14.153 1.00 74.25 O ATOM 1089 CB ILE A 550 5.964 -18.705 16.269 1.00 32.02 C ATOM 1090 CG1 ILE A 550 5.719 -19.014 17.748 1.00 60.14 C ATOM 1091 CG2 ILE A 550 5.725 -17.230 15.984 1.00 11.22 C ATOM 1092 CD1 ILE A 550 6.991 -19.162 18.553 1.00 61.14 C ATOM 0 H ILE A 550 5.200 -19.298 13.310 1.00 74.32 H new ATOM 0 HA ILE A 550 4.935 -20.553 15.850 1.00 74.44 H new ATOM 0 HB ILE A 550 7.003 -18.936 16.036 1.00 32.02 H new ATOM 0 HG12 ILE A 550 5.115 -18.217 18.182 1.00 60.14 H new ATOM 0 HG13 ILE A 550 5.139 -19.934 17.828 1.00 60.14 H new ATOM 0 HG21 ILE A 550 6.375 -16.627 16.618 1.00 11.22 H new ATOM 0 HG22 ILE A 550 5.945 -17.022 14.937 1.00 11.22 H new ATOM 0 HG23 ILE A 550 4.684 -16.983 16.193 1.00 11.22 H new ATOM 0 HD11 ILE A 550 6.741 -19.380 19.591 1.00 61.14 H new ATOM 0 HD12 ILE A 550 7.587 -19.978 18.144 1.00 61.14 H new ATOM 0 HD13 ILE A 550 7.562 -18.235 18.504 1.00 61.14 H new ATOM 1104 N LEU A 551 3.067 -18.630 16.398 1.00 73.34 N ATOM 1105 CA LEU A 551 1.757 -17.987 16.417 1.00 63.41 C ATOM 1106 C LEU A 551 1.641 -16.956 15.299 1.00 14.25 C ATOM 1107 O LEU A 551 0.613 -16.867 14.628 1.00 25.03 O ATOM 1108 CB LEU A 551 1.516 -17.319 17.771 1.00 13.43 C ATOM 1109 CG LEU A 551 2.440 -16.151 18.118 1.00 40.35 C ATOM 1110 CD1 LEU A 551 1.821 -14.832 17.681 1.00 73.22 C ATOM 1111 CD2 LEU A 551 2.741 -16.133 19.609 1.00 13.31 C ATOM 0 H LEU A 551 3.446 -18.842 17.321 1.00 73.34 H new ATOM 0 HA LEU A 551 0.999 -18.754 16.258 1.00 63.41 H new ATOM 0 HB2 LEU A 551 0.486 -16.962 17.799 1.00 13.43 H new ATOM 0 HB3 LEU A 551 1.613 -18.076 18.549 1.00 13.43 H new ATOM 0 HG LEU A 551 3.379 -16.284 17.580 1.00 40.35 H new ATOM 0 HD11 LEU A 551 2.493 -14.013 17.936 1.00 73.22 H new ATOM 0 HD12 LEU A 551 1.658 -14.846 16.603 1.00 73.22 H new ATOM 0 HD13 LEU A 551 0.867 -14.691 18.190 1.00 73.22 H new ATOM 0 HD21 LEU A 551 3.400 -15.295 19.837 1.00 13.31 H new ATOM 0 HD22 LEU A 551 1.811 -16.025 20.167 1.00 13.31 H new ATOM 0 HD23 LEU A 551 3.228 -17.066 19.893 1.00 13.31 H new ATOM 1123 N ASN A 552 2.702 -16.179 15.105 1.00 74.44 N ATOM 1124 CA ASN A 552 2.719 -15.155 14.067 1.00 53.21 C ATOM 1125 C ASN A 552 2.944 -15.777 12.692 1.00 0.31 C ATOM 1126 O ASN A 552 2.093 -15.681 11.808 1.00 51.44 O ATOM 1127 CB ASN A 552 3.811 -14.123 14.358 1.00 74.24 C ATOM 1128 CG ASN A 552 3.797 -12.973 13.369 1.00 24.21 C ATOM 1129 OD1 ASN A 552 4.834 -12.601 12.819 1.00 0.45 O ATOM 1130 ND2 ASN A 552 2.620 -12.405 13.139 1.00 54.40 N ATOM 0 H ASN A 552 3.560 -16.239 15.653 1.00 74.44 H new ATOM 0 HA ASN A 552 1.749 -14.658 14.066 1.00 53.21 H new ATOM 0 HB2 ASN A 552 3.679 -13.733 15.367 1.00 74.24 H new ATOM 0 HB3 ASN A 552 4.785 -14.611 14.330 1.00 74.24 H new ATOM 0 HD21 ASN A 552 2.549 -11.627 12.483 1.00 54.40 H new ATOM 0 HD22 ASN A 552 1.787 -12.747 13.618 1.00 54.40 H new ATOM 1137 N LYS A 553 4.096 -16.415 12.519 1.00 22.44 N ATOM 1138 CA LYS A 553 4.435 -17.056 11.254 1.00 54.52 C ATOM 1139 C LYS A 553 3.443 -18.167 10.924 1.00 50.42 C ATOM 1140 O LYS A 553 2.705 -18.648 11.784 1.00 71.35 O ATOM 1141 CB LYS A 553 5.854 -17.624 11.310 1.00 62.51 C ATOM 1142 CG LYS A 553 6.821 -16.770 12.111 1.00 51.41 C ATOM 1143 CD LYS A 553 6.776 -15.316 11.671 1.00 15.33 C ATOM 1144 CE LYS A 553 8.039 -14.572 12.075 1.00 0.44 C ATOM 1145 NZ LYS A 553 9.050 -14.561 10.982 1.00 23.43 N ATOM 0 H LYS A 553 4.812 -16.502 13.240 1.00 22.44 H new ATOM 0 HA LYS A 553 4.384 -16.302 10.468 1.00 54.52 H new ATOM 0 HB2 LYS A 553 5.819 -18.623 11.745 1.00 62.51 H new ATOM 0 HB3 LYS A 553 6.233 -17.731 10.294 1.00 62.51 H new ATOM 0 HG2 LYS A 553 6.576 -16.838 13.171 1.00 51.41 H new ATOM 0 HG3 LYS A 553 7.833 -17.156 11.992 1.00 51.41 H new ATOM 0 HD2 LYS A 553 6.653 -15.266 10.589 1.00 15.33 H new ATOM 0 HD3 LYS A 553 5.908 -14.828 12.113 1.00 15.33 H new ATOM 0 HE2 LYS A 553 7.786 -13.547 12.346 1.00 0.44 H new ATOM 0 HE3 LYS A 553 8.468 -15.039 12.962 1.00 0.44 H new ATOM 0 HZ1 LYS A 553 9.889 -15.098 11.280 1.00 23.43 H new ATOM 0 HZ2 LYS A 553 8.644 -14.998 10.130 1.00 23.43 H new ATOM 0 HZ3 LYS A 553 9.323 -13.580 10.772 1.00 23.43 H new ATOM 1159 N PRO A 554 3.425 -18.585 9.650 1.00 74.43 N ATOM 1160 CA PRO A 554 2.529 -19.646 9.178 1.00 64.01 C ATOM 1161 C PRO A 554 2.915 -21.016 9.725 1.00 32.04 C ATOM 1162 O PRO A 554 3.529 -21.823 9.028 1.00 35.10 O ATOM 1163 CB PRO A 554 2.706 -19.609 7.658 1.00 55.22 C ATOM 1164 CG PRO A 554 4.063 -19.032 7.448 1.00 70.02 C ATOM 1165 CD PRO A 554 4.277 -18.056 8.572 1.00 73.13 C ATOM 0 HA PRO A 554 1.502 -19.488 9.506 1.00 64.01 H new ATOM 0 HB2 PRO A 554 2.629 -20.607 7.226 1.00 55.22 H new ATOM 0 HB3 PRO A 554 1.938 -18.997 7.185 1.00 55.22 H new ATOM 0 HG2 PRO A 554 4.824 -19.812 7.458 1.00 70.02 H new ATOM 0 HG3 PRO A 554 4.130 -18.534 6.481 1.00 70.02 H new ATOM 0 HD2 PRO A 554 5.324 -18.012 8.872 1.00 73.13 H new ATOM 0 HD3 PRO A 554 3.984 -17.045 8.288 1.00 73.13 H new ATOM 1173 N MET A 555 2.550 -21.272 10.978 1.00 42.34 N ATOM 1174 CA MET A 555 2.857 -22.546 11.617 1.00 11.35 C ATOM 1175 C MET A 555 2.141 -23.694 10.914 1.00 53.04 C ATOM 1176 O MET A 555 2.765 -24.678 10.520 1.00 73.24 O ATOM 1177 CB MET A 555 2.457 -22.509 13.094 1.00 45.42 C ATOM 1178 CG MET A 555 2.521 -23.866 13.775 1.00 72.12 C ATOM 1179 SD MET A 555 4.190 -24.547 13.812 1.00 72.41 S ATOM 1180 CE MET A 555 3.868 -26.198 14.428 1.00 21.03 C ATOM 0 H MET A 555 2.042 -20.615 11.570 1.00 42.34 H new ATOM 0 HA MET A 555 3.932 -22.712 11.542 1.00 11.35 H new ATOM 0 HB2 MET A 555 3.112 -21.815 13.622 1.00 45.42 H new ATOM 0 HB3 MET A 555 1.443 -22.117 13.178 1.00 45.42 H new ATOM 0 HG2 MET A 555 2.148 -23.774 14.795 1.00 72.12 H new ATOM 0 HG3 MET A 555 1.861 -24.560 13.255 1.00 72.12 H new ATOM 0 HE1 MET A 555 4.807 -26.746 14.507 1.00 21.03 H new ATOM 0 HE2 MET A 555 3.401 -26.135 15.411 1.00 21.03 H new ATOM 0 HE3 MET A 555 3.200 -26.719 13.742 1.00 21.03 H new ATOM 1190 N ASN A 556 0.827 -23.561 10.760 1.00 43.44 N ATOM 1191 CA ASN A 556 0.026 -24.588 10.104 1.00 44.02 C ATOM 1192 C ASN A 556 -1.162 -23.968 9.375 1.00 32.50 C ATOM 1193 O ASN A 556 -2.293 -24.438 9.500 1.00 62.14 O ATOM 1194 CB ASN A 556 -0.466 -25.611 11.129 1.00 75.42 C ATOM 1195 CG ASN A 556 -0.851 -26.932 10.489 1.00 3.50 C ATOM 1196 OD1 ASN A 556 -1.798 -27.002 9.706 1.00 61.02 O ATOM 1197 ND2 ASN A 556 -0.115 -27.986 10.821 1.00 30.01 N ATOM 0 H ASN A 556 0.295 -22.752 11.081 1.00 43.44 H new ATOM 0 HA ASN A 556 0.655 -25.092 9.371 1.00 44.02 H new ATOM 0 HB2 ASN A 556 0.315 -25.783 11.870 1.00 75.42 H new ATOM 0 HB3 ASN A 556 -1.326 -25.204 11.661 1.00 75.42 H new ATOM 0 HD21 ASN A 556 -0.326 -28.901 10.422 1.00 30.01 H new ATOM 0 HD22 ASN A 556 0.661 -27.881 11.475 1.00 30.01 H new ATOM 1204 N MET A 557 -0.897 -22.912 8.614 1.00 52.31 N ATOM 1205 CA MET A 557 -1.945 -22.229 7.864 1.00 42.05 C ATOM 1206 C MET A 557 -2.032 -22.768 6.439 1.00 12.40 C ATOM 1207 O MET A 557 -1.268 -23.651 6.053 1.00 65.12 O ATOM 1208 CB MET A 557 -1.683 -20.722 7.836 1.00 3.02 C ATOM 1209 CG MET A 557 -0.405 -20.341 7.107 1.00 43.50 C ATOM 1210 SD MET A 557 -0.704 -19.824 5.406 1.00 64.05 S ATOM 1211 CE MET A 557 0.081 -21.158 4.504 1.00 72.21 C ATOM 0 H MET A 557 0.034 -22.510 8.500 1.00 52.31 H new ATOM 0 HA MET A 557 -2.896 -22.416 8.364 1.00 42.05 H new ATOM 0 HB2 MET A 557 -2.526 -20.224 7.358 1.00 3.02 H new ATOM 0 HB3 MET A 557 -1.632 -20.351 8.860 1.00 3.02 H new ATOM 0 HG2 MET A 557 0.090 -19.533 7.647 1.00 43.50 H new ATOM 0 HG3 MET A 557 0.278 -21.191 7.110 1.00 43.50 H new ATOM 0 HE1 MET A 557 -0.537 -21.433 3.649 1.00 72.21 H new ATOM 0 HE2 MET A 557 1.061 -20.833 4.154 1.00 72.21 H new ATOM 0 HE3 MET A 557 0.198 -22.021 5.159 1.00 72.21 H new ATOM 1221 N GLN A 558 -2.968 -22.230 5.664 1.00 14.41 N ATOM 1222 CA GLN A 558 -3.155 -22.658 4.283 1.00 71.11 C ATOM 1223 C GLN A 558 -3.937 -21.616 3.491 1.00 51.34 C ATOM 1224 O GLN A 558 -4.953 -21.100 3.957 1.00 15.44 O ATOM 1225 CB GLN A 558 -3.884 -24.002 4.238 1.00 64.42 C ATOM 1226 CG GLN A 558 -5.368 -23.901 4.549 1.00 51.42 C ATOM 1227 CD GLN A 558 -6.028 -25.258 4.695 1.00 52.54 C ATOM 1228 OE1 GLN A 558 -5.358 -26.265 4.922 1.00 73.54 O ATOM 1229 NE2 GLN A 558 -7.349 -25.291 4.565 1.00 53.52 N ATOM 0 H GLN A 558 -3.608 -21.497 5.969 1.00 14.41 H new ATOM 0 HA GLN A 558 -2.171 -22.770 3.828 1.00 71.11 H new ATOM 0 HB2 GLN A 558 -3.758 -24.441 3.248 1.00 64.42 H new ATOM 0 HB3 GLN A 558 -3.418 -24.683 4.950 1.00 64.42 H new ATOM 0 HG2 GLN A 558 -5.504 -23.334 5.470 1.00 51.42 H new ATOM 0 HG3 GLN A 558 -5.865 -23.343 3.755 1.00 51.42 H new ATOM 0 HE21 GLN A 558 -7.865 -24.431 4.377 1.00 53.52 H new ATOM 0 HE22 GLN A 558 -7.848 -26.176 4.653 1.00 53.52 H new ATOM 1238 N LEU A 559 -3.457 -21.310 2.290 1.00 11.23 N ATOM 1239 CA LEU A 559 -4.111 -20.328 1.432 1.00 12.02 C ATOM 1240 C LEU A 559 -5.535 -20.761 1.096 1.00 2.35 C ATOM 1241 O LEU A 559 -5.750 -21.821 0.507 1.00 14.24 O ATOM 1242 CB LEU A 559 -3.309 -20.132 0.145 1.00 43.42 C ATOM 1243 CG LEU A 559 -3.847 -19.082 -0.828 1.00 73.44 C ATOM 1244 CD1 LEU A 559 -4.972 -19.664 -1.671 1.00 42.53 C ATOM 1245 CD2 LEU A 559 -4.326 -17.851 -0.074 1.00 1.33 C ATOM 0 H LEU A 559 -2.617 -21.728 1.889 1.00 11.23 H new ATOM 0 HA LEU A 559 -4.156 -19.383 1.973 1.00 12.02 H new ATOM 0 HB2 LEU A 559 -2.289 -19.860 0.414 1.00 43.42 H new ATOM 0 HB3 LEU A 559 -3.257 -21.088 -0.376 1.00 43.42 H new ATOM 0 HG LEU A 559 -3.038 -18.783 -1.494 1.00 73.44 H new ATOM 0 HD11 LEU A 559 -5.343 -18.903 -2.358 1.00 42.53 H new ATOM 0 HD12 LEU A 559 -4.597 -20.515 -2.240 1.00 42.53 H new ATOM 0 HD13 LEU A 559 -5.783 -19.991 -1.020 1.00 42.53 H new ATOM 0 HD21 LEU A 559 -4.705 -17.115 -0.783 1.00 1.33 H new ATOM 0 HD22 LEU A 559 -5.121 -18.133 0.616 1.00 1.33 H new ATOM 0 HD23 LEU A 559 -3.495 -17.421 0.486 1.00 1.33 H new ATOM 1257 N LEU A 560 -6.503 -19.933 1.473 1.00 73.01 N ATOM 1258 CA LEU A 560 -7.908 -20.229 1.210 1.00 45.52 C ATOM 1259 C LEU A 560 -8.521 -19.179 0.288 1.00 34.35 C ATOM 1260 O LEU A 560 -9.484 -19.453 -0.427 1.00 31.52 O ATOM 1261 CB LEU A 560 -8.690 -20.292 2.522 1.00 13.15 C ATOM 1262 CG LEU A 560 -9.151 -18.951 3.095 1.00 50.24 C ATOM 1263 CD1 LEU A 560 -10.599 -18.678 2.716 1.00 25.03 C ATOM 1264 CD2 LEU A 560 -8.980 -18.929 4.607 1.00 43.15 C ATOM 0 H LEU A 560 -6.342 -19.052 1.961 1.00 73.01 H new ATOM 0 HA LEU A 560 -7.964 -21.198 0.715 1.00 45.52 H new ATOM 0 HB2 LEU A 560 -9.568 -20.920 2.368 1.00 13.15 H new ATOM 0 HB3 LEU A 560 -8.070 -20.789 3.268 1.00 13.15 H new ATOM 0 HG LEU A 560 -8.530 -18.163 2.668 1.00 50.24 H new ATOM 0 HD11 LEU A 560 -10.910 -17.720 3.132 1.00 25.03 H new ATOM 0 HD12 LEU A 560 -10.692 -18.649 1.630 1.00 25.03 H new ATOM 0 HD13 LEU A 560 -11.235 -19.469 3.113 1.00 25.03 H new ATOM 0 HD21 LEU A 560 -9.313 -17.967 4.997 1.00 43.15 H new ATOM 0 HD22 LEU A 560 -9.575 -19.727 5.052 1.00 43.15 H new ATOM 0 HD23 LEU A 560 -7.929 -19.077 4.857 1.00 43.15 H new ATOM 1276 N GLY A 561 -7.956 -17.976 0.310 1.00 64.20 N ATOM 1277 CA GLY A 561 -8.459 -16.905 -0.529 1.00 52.41 C ATOM 1278 C GLY A 561 -7.767 -16.849 -1.876 1.00 61.14 C ATOM 1279 O GLY A 561 -7.204 -17.844 -2.334 1.00 55.14 O ATOM 0 H GLY A 561 -7.159 -17.724 0.894 1.00 64.20 H new ATOM 0 HA2 GLY A 561 -9.530 -17.039 -0.680 1.00 52.41 H new ATOM 0 HA3 GLY A 561 -8.326 -15.953 -0.016 1.00 52.41 H new ATOM 1283 N ASP A 562 -7.809 -15.684 -2.514 1.00 21.33 N ATOM 1284 CA ASP A 562 -7.181 -15.503 -3.817 1.00 52.14 C ATOM 1285 C ASP A 562 -6.992 -14.021 -4.128 1.00 73.43 C ATOM 1286 O ASP A 562 -7.761 -13.178 -3.668 1.00 50.33 O ATOM 1287 CB ASP A 562 -8.025 -16.162 -4.910 1.00 23.44 C ATOM 1288 CG ASP A 562 -7.253 -16.356 -6.200 1.00 3.21 C ATOM 1289 OD1 ASP A 562 -6.066 -16.739 -6.130 1.00 30.31 O ATOM 1290 OD2 ASP A 562 -7.835 -16.125 -7.280 1.00 13.43 O ATOM 0 H ASP A 562 -8.272 -14.851 -2.150 1.00 21.33 H new ATOM 0 HA ASP A 562 -6.201 -15.978 -3.789 1.00 52.14 H new ATOM 0 HB2 ASP A 562 -8.383 -17.129 -4.555 1.00 23.44 H new ATOM 0 HB3 ASP A 562 -8.905 -15.549 -5.105 1.00 23.44 H new ATOM 1295 N ALA A 563 -5.963 -13.713 -4.911 1.00 15.31 N ATOM 1296 CA ALA A 563 -5.674 -12.334 -5.284 1.00 12.42 C ATOM 1297 C ALA A 563 -6.736 -11.787 -6.231 1.00 55.32 C ATOM 1298 O ALA A 563 -7.034 -12.393 -7.260 1.00 33.12 O ATOM 1299 CB ALA A 563 -4.296 -12.237 -5.921 1.00 21.20 C ATOM 0 H ALA A 563 -5.316 -14.400 -5.299 1.00 15.31 H new ATOM 0 HA ALA A 563 -5.687 -11.729 -4.378 1.00 12.42 H new ATOM 0 HB1 ALA A 563 -4.094 -11.201 -6.195 1.00 21.20 H new ATOM 0 HB2 ALA A 563 -3.542 -12.579 -5.212 1.00 21.20 H new ATOM 0 HB3 ALA A 563 -4.263 -12.861 -6.814 1.00 21.20 H new ATOM 1305 N GLN A 564 -7.304 -10.638 -5.877 1.00 33.53 N ATOM 1306 CA GLN A 564 -8.335 -10.011 -6.696 1.00 22.51 C ATOM 1307 C GLN A 564 -7.826 -9.758 -8.111 1.00 42.20 C ATOM 1308 O GLN A 564 -8.299 -8.853 -8.799 1.00 44.53 O ATOM 1309 CB GLN A 564 -8.790 -8.696 -6.062 1.00 32.24 C ATOM 1310 CG GLN A 564 -10.246 -8.359 -6.339 1.00 33.01 C ATOM 1311 CD GLN A 564 -11.197 -9.039 -5.373 1.00 41.32 C ATOM 1312 OE1 GLN A 564 -11.008 -8.985 -4.158 1.00 35.44 O ATOM 1313 NE2 GLN A 564 -12.226 -9.683 -5.910 1.00 54.03 N ATOM 0 H GLN A 564 -7.068 -10.123 -5.029 1.00 33.53 H new ATOM 0 HA GLN A 564 -9.184 -10.692 -6.751 1.00 22.51 H new ATOM 0 HB2 GLN A 564 -8.637 -8.750 -4.984 1.00 32.24 H new ATOM 0 HB3 GLN A 564 -8.161 -7.887 -6.433 1.00 32.24 H new ATOM 0 HG2 GLN A 564 -10.383 -7.279 -6.278 1.00 33.01 H new ATOM 0 HG3 GLN A 564 -10.496 -8.655 -7.358 1.00 33.01 H new ATOM 0 HE21 GLN A 564 -12.344 -9.702 -6.923 1.00 54.03 H new ATOM 0 HE22 GLN A 564 -12.899 -10.159 -5.310 1.00 54.03 H new