USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 639 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 69 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 72 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0525) USER MOD Set 2.1: A 5 TYR OH : rot 138:sc= 0.839 USER MOD Set 2.2: A 7 ASN : amide:sc= 0.601 K(o=1.4,f=-0.4) USER MOD Single : A 1 GLY N :NH3+ 164:sc= -0.0411 (180deg=-0.315) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.441 K(o=0.44,f=-2.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0493 USER MOD Single : A 25 SER OG : rot 180:sc= 0.742 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 178:sc= -0.868 (180deg=-0.898) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 77:sc= 1.23 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot 62:sc= -0.513 USER MOD Single : A 49 SER OG : rot 33:sc= 0.00489 USER MOD Single : A 51 HIS : no HE2:sc= 0.178 K(o=0.18,f=-1.4) USER MOD Single : A 54 GLN : amide:sc=-0.000128 X(o=-0.00013,f=-0.35) USER MOD Single : A 60 ASN : amide:sc= -0.0551 K(o=-0.055,f=-1.7) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0692) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0138) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.371 9.867 -11.344 1.00 25.00 N ATOM 2 CA GLY A 1 10.324 9.781 -10.282 1.00 25.00 C ATOM 3 C GLY A 1 9.189 8.842 -10.621 1.00 25.00 C ATOM 4 O GLY A 1 8.037 9.068 -10.329 1.00 25.00 O ATOM 0 H1 GLY A 1 11.963 10.707 -11.181 1.00 25.00 H new ATOM 0 H2 GLY A 1 11.965 9.014 -11.316 1.00 25.00 H new ATOM 0 H3 GLY A 1 10.915 9.940 -12.276 1.00 25.00 H new ATOM 0 HA2 GLY A 1 10.789 9.454 -9.352 1.00 25.00 H new ATOM 0 HA3 GLY A 1 9.919 10.777 -10.103 1.00 25.00 H new ATOM 9 N SER A 2 9.585 7.781 -11.341 1.00 25.00 N ATOM 10 CA SER A 2 8.712 6.701 -11.851 1.00 25.00 C ATOM 11 C SER A 2 7.621 7.221 -12.793 1.00 25.00 C ATOM 12 O SER A 2 6.610 6.574 -13.017 1.00 25.00 O ATOM 13 CB SER A 2 8.082 5.937 -10.685 1.00 25.00 C ATOM 14 OG SER A 2 9.084 5.530 -9.772 1.00 25.00 O ATOM 0 H SER A 2 10.563 7.642 -11.597 1.00 25.00 H new ATOM 0 HA SER A 2 9.342 6.028 -12.432 1.00 25.00 H new ATOM 0 HB2 SER A 2 7.352 6.569 -10.178 1.00 25.00 H new ATOM 0 HB3 SER A 2 7.544 5.066 -11.059 1.00 25.00 H new ATOM 0 HG SER A 2 8.671 5.043 -9.028 1.00 25.00 H new ATOM 20 N MET A 3 7.846 8.406 -13.343 1.00 25.00 N ATOM 21 CA MET A 3 6.871 9.059 -14.214 1.00 25.00 C ATOM 22 C MET A 3 6.902 8.501 -15.634 1.00 25.00 C ATOM 23 O MET A 3 6.017 8.799 -16.438 1.00 25.00 O ATOM 24 CB MET A 3 7.167 10.559 -14.273 1.00 25.00 C ATOM 25 CG MET A 3 7.115 11.249 -12.928 1.00 25.00 C ATOM 26 SD MET A 3 7.643 12.964 -13.051 1.00 25.00 S ATOM 27 CE MET A 3 7.522 13.479 -11.331 1.00 25.00 C ATOM 0 H MET A 3 8.703 8.941 -13.201 1.00 25.00 H new ATOM 0 HA MET A 3 5.882 8.871 -13.795 1.00 25.00 H new ATOM 0 HB2 MET A 3 8.155 10.707 -14.708 1.00 25.00 H new ATOM 0 HB3 MET A 3 6.450 11.035 -14.942 1.00 25.00 H new ATOM 0 HG2 MET A 3 6.099 11.206 -12.534 1.00 25.00 H new ATOM 0 HG3 MET A 3 7.753 10.720 -12.221 1.00 25.00 H new ATOM 0 HE1 MET A 3 7.818 14.524 -11.243 1.00 25.00 H new ATOM 0 HE2 MET A 3 6.494 13.362 -10.988 1.00 25.00 H new ATOM 0 HE3 MET A 3 8.181 12.863 -10.719 1.00 25.00 H new ATOM 37 N LYS A 4 7.960 7.765 -15.963 1.00 25.00 N ATOM 38 CA LYS A 4 8.156 7.231 -17.308 1.00 25.00 C ATOM 39 C LYS A 4 8.749 5.840 -17.200 1.00 25.00 C ATOM 40 O LYS A 4 9.467 5.552 -16.248 1.00 25.00 O ATOM 41 CB LYS A 4 9.083 8.141 -18.128 1.00 25.00 C ATOM 42 CG LYS A 4 8.531 9.549 -18.341 1.00 25.00 C ATOM 43 CD LYS A 4 9.457 10.411 -19.176 1.00 25.00 C ATOM 44 CE LYS A 4 8.895 11.825 -19.284 1.00 25.00 C ATOM 45 NZ LYS A 4 9.751 12.716 -20.143 1.00 25.00 N ATOM 0 H LYS A 4 8.703 7.523 -15.308 1.00 25.00 H new ATOM 0 HA LYS A 4 7.195 7.186 -17.820 1.00 25.00 H new ATOM 0 HB2 LYS A 4 10.047 8.211 -17.624 1.00 25.00 H new ATOM 0 HB3 LYS A 4 9.263 7.680 -19.099 1.00 25.00 H new ATOM 0 HG2 LYS A 4 7.559 9.485 -18.830 1.00 25.00 H new ATOM 0 HG3 LYS A 4 8.371 10.024 -17.373 1.00 25.00 H new ATOM 0 HD2 LYS A 4 10.448 10.438 -18.724 1.00 25.00 H new ATOM 0 HD3 LYS A 4 9.572 9.979 -20.170 1.00 25.00 H new ATOM 0 HE2 LYS A 4 7.888 11.783 -19.699 1.00 25.00 H new ATOM 0 HE3 LYS A 4 8.811 12.257 -18.287 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 9.329 13.666 -20.187 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 10.705 12.779 -19.734 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 9.811 12.320 -21.103 1.00 25.00 H new ATOM 59 N TYR A 5 8.415 4.996 -18.162 1.00 25.00 N ATOM 60 CA TYR A 5 8.860 3.604 -18.226 1.00 25.00 C ATOM 61 C TYR A 5 8.971 3.350 -19.729 1.00 25.00 C ATOM 62 O TYR A 5 8.693 4.269 -20.510 1.00 25.00 O ATOM 63 CB TYR A 5 7.851 2.674 -17.542 1.00 25.00 C ATOM 64 CG TYR A 5 6.453 2.783 -18.111 1.00 25.00 C ATOM 65 CD1 TYR A 5 5.572 3.802 -17.686 1.00 25.00 C ATOM 66 CD2 TYR A 5 6.004 1.873 -19.079 1.00 25.00 C ATOM 67 CE1 TYR A 5 4.279 3.919 -18.243 1.00 25.00 C ATOM 68 CE2 TYR A 5 4.713 1.984 -19.632 1.00 25.00 C ATOM 69 CZ TYR A 5 3.861 3.016 -19.219 1.00 25.00 C ATOM 70 OH TYR A 5 2.618 3.152 -19.777 1.00 25.00 O ATOM 0 H TYR A 5 7.813 5.261 -18.941 1.00 25.00 H new ATOM 0 HA TYR A 5 9.799 3.415 -17.705 1.00 25.00 H new ATOM 0 HB2 TYR A 5 8.195 1.644 -17.637 1.00 25.00 H new ATOM 0 HB3 TYR A 5 7.821 2.903 -16.477 1.00 25.00 H new ATOM 0 HD1 TYR A 5 5.891 4.500 -16.926 1.00 25.00 H new ATOM 0 HD2 TYR A 5 6.657 1.077 -19.405 1.00 25.00 H new ATOM 0 HE1 TYR A 5 3.616 4.706 -17.914 1.00 25.00 H new ATOM 0 HE2 TYR A 5 4.380 1.273 -20.374 1.00 25.00 H new ATOM 0 HH TYR A 5 2.675 3.002 -20.744 1.00 25.00 H new ATOM 80 N LEU A 6 9.413 2.172 -20.147 1.00 25.00 N ATOM 81 CA LEU A 6 9.679 1.911 -21.575 1.00 25.00 C ATOM 82 C LEU A 6 8.493 2.165 -22.508 1.00 25.00 C ATOM 83 O LEU A 6 8.652 2.768 -23.565 1.00 25.00 O ATOM 84 CB LEU A 6 10.138 0.466 -21.765 1.00 25.00 C ATOM 85 CG LEU A 6 11.434 0.061 -21.058 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.614 -1.427 -21.226 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.650 0.805 -21.620 1.00 25.00 C ATOM 0 H LEU A 6 9.597 1.380 -19.531 1.00 25.00 H new ATOM 0 HA LEU A 6 10.455 2.625 -21.852 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.341 -0.193 -21.420 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.261 0.285 -22.833 1.00 25.00 H new ATOM 0 HG LEU A 6 11.360 0.326 -20.003 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.532 -1.741 -20.730 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.766 -1.948 -20.783 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.674 -1.669 -22.287 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.548 0.487 -21.090 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.756 0.579 -22.681 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.512 1.878 -21.489 1.00 25.00 H new ATOM 99 N ASN A 7 7.324 1.678 -22.112 1.00 25.00 N ATOM 100 CA ASN A 7 6.078 1.830 -22.877 1.00 25.00 C ATOM 101 C ASN A 7 6.172 1.432 -24.362 1.00 25.00 C ATOM 102 O ASN A 7 5.626 2.111 -25.232 1.00 25.00 O ATOM 103 CB ASN A 7 5.561 3.272 -22.755 1.00 25.00 C ATOM 104 CG ASN A 7 4.087 3.379 -23.053 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.276 2.640 -22.504 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.729 4.294 -23.907 1.00 25.00 N ATOM 0 H ASN A 7 7.206 1.159 -21.242 1.00 25.00 H new ATOM 0 HA ASN A 7 5.377 1.124 -22.431 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.753 3.640 -21.747 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.115 3.913 -23.440 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.744 4.416 -24.141 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.434 4.889 -24.342 1.00 25.00 H new ATOM 113 N VAL A 8 6.827 0.319 -24.645 1.00 25.00 N ATOM 114 CA VAL A 8 6.900 -0.214 -26.002 1.00 25.00 C ATOM 115 C VAL A 8 6.096 -1.496 -25.944 1.00 25.00 C ATOM 116 O VAL A 8 5.802 -1.959 -24.859 1.00 25.00 O ATOM 117 CB VAL A 8 8.364 -0.475 -26.441 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.131 0.853 -26.540 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.085 -1.437 -25.478 1.00 25.00 C ATOM 0 H VAL A 8 7.321 -0.240 -23.949 1.00 25.00 H new ATOM 0 HA VAL A 8 6.509 0.486 -26.740 1.00 25.00 H new ATOM 0 HB VAL A 8 8.337 -0.949 -27.422 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.158 0.658 -26.849 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.648 1.498 -27.273 1.00 25.00 H new ATOM 0 HG13 VAL A 8 9.132 1.346 -25.568 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.108 -1.595 -25.820 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.099 -1.007 -24.477 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.559 -2.391 -25.455 1.00 25.00 H new ATOM 129 N LEU A 9 5.695 -2.050 -27.075 1.00 25.00 N ATOM 130 CA LEU A 9 4.838 -3.239 -27.063 1.00 25.00 C ATOM 131 C LEU A 9 5.398 -4.308 -27.972 1.00 25.00 C ATOM 132 O LEU A 9 6.154 -4.026 -28.903 1.00 25.00 O ATOM 133 CB LEU A 9 3.404 -2.881 -27.478 1.00 25.00 C ATOM 134 CG LEU A 9 3.252 -1.856 -28.611 1.00 25.00 C ATOM 135 CD1 LEU A 9 2.123 -2.247 -29.549 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.976 -0.472 -28.004 1.00 25.00 C ATOM 0 H LEU A 9 5.940 -1.708 -28.004 1.00 25.00 H new ATOM 0 HA LEU A 9 4.813 -3.629 -26.045 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.897 -3.798 -27.778 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.881 -2.500 -26.601 1.00 25.00 H new ATOM 0 HG LEU A 9 4.176 -1.829 -29.189 1.00 25.00 H new ATOM 0 HD11 LEU A 9 2.036 -1.505 -30.343 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.335 -3.223 -29.986 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.187 -2.294 -28.992 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.867 0.261 -28.804 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.058 -0.508 -27.418 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.807 -0.185 -27.360 1.00 25.00 H new ATOM 148 N ALA A 10 5.067 -5.548 -27.667 1.00 25.00 N ATOM 149 CA ALA A 10 5.613 -6.672 -28.390 1.00 25.00 C ATOM 150 C ALA A 10 4.559 -7.757 -28.611 1.00 25.00 C ATOM 151 O ALA A 10 3.713 -8.004 -27.754 1.00 25.00 O ATOM 152 CB ALA A 10 6.808 -7.228 -27.619 1.00 25.00 C ATOM 0 H ALA A 10 4.420 -5.799 -26.920 1.00 25.00 H new ATOM 0 HA ALA A 10 5.939 -6.335 -29.374 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.226 -8.078 -28.159 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.568 -6.453 -27.517 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.484 -7.551 -26.629 1.00 25.00 H new ATOM 158 N LYS A 11 4.627 -8.402 -29.767 1.00 25.00 N ATOM 159 CA LYS A 11 3.701 -9.466 -30.137 1.00 25.00 C ATOM 160 C LYS A 11 4.318 -10.802 -29.788 1.00 25.00 C ATOM 161 O LYS A 11 5.481 -11.042 -30.094 1.00 25.00 O ATOM 162 CB LYS A 11 3.403 -9.405 -31.635 1.00 25.00 C ATOM 163 CG LYS A 11 2.338 -10.384 -32.089 1.00 25.00 C ATOM 164 CD LYS A 11 1.922 -10.101 -33.521 1.00 25.00 C ATOM 165 CE LYS A 11 0.767 -11.001 -33.928 1.00 25.00 C ATOM 166 NZ LYS A 11 0.264 -10.731 -35.312 1.00 25.00 N ATOM 0 H LYS A 11 5.329 -8.202 -30.479 1.00 25.00 H new ATOM 0 HA LYS A 11 2.766 -9.341 -29.591 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.087 -8.394 -31.892 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.322 -9.601 -32.187 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.717 -11.403 -32.010 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.470 -10.315 -31.433 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.629 -9.056 -33.621 1.00 25.00 H new ATOM 0 HD3 LYS A 11 2.768 -10.260 -34.190 1.00 25.00 H new ATOM 0 HE2 LYS A 11 1.085 -12.041 -33.861 1.00 25.00 H new ATOM 0 HE3 LYS A 11 -0.052 -10.872 -33.220 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 -0.522 -11.377 -35.528 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 -0.069 -9.748 -35.375 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 1.033 -10.881 -35.996 1.00 25.00 H new ATOM 180 N ALA A 12 3.549 -11.656 -29.137 1.00 25.00 N ATOM 181 CA ALA A 12 4.036 -12.966 -28.743 1.00 25.00 C ATOM 182 C ALA A 12 4.101 -13.870 -29.965 1.00 25.00 C ATOM 183 O ALA A 12 3.167 -13.928 -30.774 1.00 25.00 O ATOM 184 CB ALA A 12 3.125 -13.563 -27.689 1.00 25.00 C ATOM 0 H ALA A 12 2.583 -11.466 -28.870 1.00 25.00 H new ATOM 0 HA ALA A 12 5.036 -12.870 -28.319 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.498 -14.545 -27.400 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.103 -12.911 -26.815 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.117 -13.662 -28.093 1.00 25.00 H new ATOM 190 N LEU A 13 5.204 -14.585 -30.087 1.00 25.00 N ATOM 191 CA LEU A 13 5.412 -15.524 -31.185 1.00 25.00 C ATOM 192 C LEU A 13 4.966 -16.918 -30.754 1.00 25.00 C ATOM 193 O LEU A 13 4.602 -17.743 -31.585 1.00 25.00 O ATOM 194 CB LEU A 13 6.893 -15.552 -31.563 1.00 25.00 C ATOM 195 CG LEU A 13 7.507 -14.217 -32.025 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.021 -14.369 -32.142 1.00 25.00 C ATOM 197 CD2 LEU A 13 6.922 -13.771 -33.377 1.00 25.00 C ATOM 0 H LEU A 13 5.983 -14.535 -29.431 1.00 25.00 H new ATOM 0 HA LEU A 13 4.827 -15.208 -32.048 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.459 -15.908 -30.702 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.029 -16.284 -32.359 1.00 25.00 H new ATOM 0 HG LEU A 13 7.266 -13.453 -31.285 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.457 -13.425 -32.469 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.435 -14.643 -31.172 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.253 -15.147 -32.869 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.375 -12.826 -33.676 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.132 -14.529 -34.132 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.844 -13.642 -33.282 1.00 25.00 H new ATOM 209 N TYR A 14 4.989 -17.153 -29.450 1.00 25.00 N ATOM 210 CA TYR A 14 4.635 -18.447 -28.873 1.00 25.00 C ATOM 211 C TYR A 14 3.649 -18.189 -27.737 1.00 25.00 C ATOM 212 O TYR A 14 3.606 -17.082 -27.208 1.00 25.00 O ATOM 213 CB TYR A 14 5.885 -19.140 -28.336 1.00 25.00 C ATOM 214 CG TYR A 14 7.033 -19.165 -29.329 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.093 -20.138 -30.343 1.00 25.00 C ATOM 216 CD2 TYR A 14 8.060 -18.202 -29.261 1.00 25.00 C ATOM 217 CE1 TYR A 14 8.166 -20.146 -31.285 1.00 25.00 C ATOM 218 CE2 TYR A 14 9.132 -18.208 -30.191 1.00 25.00 C ATOM 219 CZ TYR A 14 9.172 -19.178 -31.194 1.00 25.00 C ATOM 220 OH TYR A 14 10.208 -19.184 -32.094 1.00 25.00 O ATOM 0 H TYR A 14 5.254 -16.452 -28.758 1.00 25.00 H new ATOM 0 HA TYR A 14 4.188 -19.094 -29.628 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.211 -18.633 -27.428 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.633 -20.163 -28.057 1.00 25.00 H new ATOM 0 HD1 TYR A 14 6.318 -20.888 -30.410 1.00 25.00 H new ATOM 0 HD2 TYR A 14 8.031 -17.447 -28.489 1.00 25.00 H new ATOM 0 HE1 TYR A 14 8.201 -20.895 -32.063 1.00 25.00 H new ATOM 0 HE2 TYR A 14 9.913 -17.465 -30.123 1.00 25.00 H new ATOM 0 HH TYR A 14 10.820 -18.446 -31.893 1.00 25.00 H new ATOM 230 N ASP A 15 2.861 -19.190 -27.377 1.00 25.00 N ATOM 231 CA ASP A 15 1.897 -19.072 -26.280 1.00 25.00 C ATOM 232 C ASP A 15 2.517 -19.610 -24.990 1.00 25.00 C ATOM 233 O ASP A 15 3.526 -20.320 -25.028 1.00 25.00 O ATOM 234 CB ASP A 15 0.592 -19.823 -26.609 1.00 25.00 C ATOM 235 CG ASP A 15 0.818 -21.254 -27.083 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.360 -21.434 -28.205 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.302 -22.172 -26.434 1.00 25.00 O ATOM 0 H ASP A 15 2.867 -20.104 -27.830 1.00 25.00 H new ATOM 0 HA ASP A 15 1.649 -18.019 -26.144 1.00 25.00 H new ATOM 0 HB2 ASP A 15 -0.043 -19.838 -25.723 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.051 -19.274 -27.380 1.00 25.00 H new ATOM 242 N ASN A 16 1.935 -19.237 -23.859 1.00 25.00 N ATOM 243 CA ASN A 16 2.391 -19.701 -22.553 1.00 25.00 C ATOM 244 C ASN A 16 1.227 -19.688 -21.577 1.00 25.00 C ATOM 245 O ASN A 16 0.354 -18.824 -21.658 1.00 25.00 O ATOM 246 CB ASN A 16 3.472 -18.771 -22.011 1.00 25.00 C ATOM 247 CG ASN A 16 4.245 -19.383 -20.879 1.00 25.00 C ATOM 248 OD1 ASN A 16 4.901 -20.398 -21.053 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.187 -18.771 -19.737 1.00 25.00 N ATOM 0 H ASN A 16 1.135 -18.606 -23.819 1.00 25.00 H new ATOM 0 HA ASN A 16 2.790 -20.709 -22.664 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.159 -18.510 -22.816 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.011 -17.843 -21.672 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.703 -19.135 -18.936 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.625 -17.925 -19.640 1.00 25.00 H new ATOM 256 N VAL A 17 1.245 -20.585 -20.606 1.00 25.00 N ATOM 257 CA VAL A 17 0.265 -20.571 -19.532 1.00 25.00 C ATOM 258 C VAL A 17 1.107 -20.507 -18.277 1.00 25.00 C ATOM 259 O VAL A 17 2.089 -21.218 -18.149 1.00 25.00 O ATOM 260 CB VAL A 17 -0.713 -21.806 -19.580 1.00 25.00 C ATOM 261 CG1 VAL A 17 0.052 -23.144 -19.587 1.00 25.00 C ATOM 262 CG2 VAL A 17 -1.701 -21.754 -18.407 1.00 25.00 C ATOM 0 H VAL A 17 1.931 -21.336 -20.539 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.421 -19.727 -19.600 1.00 25.00 H new ATOM 0 HB VAL A 17 -1.272 -21.746 -20.514 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -0.659 -23.969 -19.620 1.00 25.00 H new ATOM 0 HG12 VAL A 17 0.700 -23.188 -20.462 1.00 25.00 H new ATOM 0 HG13 VAL A 17 0.656 -23.222 -18.683 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -2.369 -22.614 -18.455 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.151 -21.775 -17.466 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -2.286 -20.836 -18.465 1.00 25.00 H new ATOM 272 N ALA A 18 0.789 -19.558 -17.417 1.00 25.00 N ATOM 273 CA ALA A 18 1.563 -19.335 -16.217 1.00 25.00 C ATOM 274 C ALA A 18 1.264 -20.423 -15.198 1.00 25.00 C ATOM 275 O ALA A 18 0.100 -20.753 -14.964 1.00 25.00 O ATOM 276 CB ALA A 18 1.224 -17.976 -15.638 1.00 25.00 C ATOM 0 H ALA A 18 -0.005 -18.928 -17.531 1.00 25.00 H new ATOM 0 HA ALA A 18 2.624 -19.365 -16.463 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.809 -17.810 -14.733 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.457 -17.201 -16.368 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.162 -17.938 -15.396 1.00 25.00 H new ATOM 282 N GLU A 19 2.309 -20.937 -14.567 1.00 25.00 N ATOM 283 CA GLU A 19 2.153 -21.910 -13.491 1.00 25.00 C ATOM 284 C GLU A 19 2.372 -21.193 -12.159 1.00 25.00 C ATOM 285 O GLU A 19 2.055 -21.715 -11.090 1.00 25.00 O ATOM 286 CB GLU A 19 3.153 -23.058 -13.650 1.00 25.00 C ATOM 287 CG GLU A 19 2.977 -23.819 -14.958 1.00 25.00 C ATOM 288 CD GLU A 19 3.806 -25.100 -15.018 1.00 25.00 C ATOM 289 OE1 GLU A 19 3.390 -26.047 -15.729 1.00 25.00 O ATOM 290 OE2 GLU A 19 4.856 -25.172 -14.344 1.00 25.00 O ATOM 0 H GLU A 19 3.277 -20.697 -14.781 1.00 25.00 H new ATOM 0 HA GLU A 19 1.151 -22.338 -13.524 1.00 25.00 H new ATOM 0 HB2 GLU A 19 4.167 -22.660 -13.600 1.00 25.00 H new ATOM 0 HB3 GLU A 19 3.041 -23.750 -12.815 1.00 25.00 H new ATOM 0 HG2 GLU A 19 1.924 -24.068 -15.089 1.00 25.00 H new ATOM 0 HG3 GLU A 19 3.257 -23.172 -15.789 1.00 25.00 H new ATOM 297 N SER A 20 2.902 -19.978 -12.235 1.00 25.00 N ATOM 298 CA SER A 20 3.176 -19.165 -11.048 1.00 25.00 C ATOM 299 C SER A 20 2.380 -17.863 -11.102 1.00 25.00 C ATOM 300 O SER A 20 1.983 -17.423 -12.178 1.00 25.00 O ATOM 301 CB SER A 20 4.675 -18.868 -10.979 1.00 25.00 C ATOM 302 OG SER A 20 4.938 -17.478 -11.127 1.00 25.00 O ATOM 0 H SER A 20 3.154 -19.527 -13.115 1.00 25.00 H new ATOM 0 HA SER A 20 2.873 -19.713 -10.156 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.072 -19.215 -10.025 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.193 -19.423 -11.761 1.00 25.00 H new ATOM 0 HG SER A 20 5.904 -17.321 -11.077 1.00 25.00 H new ATOM 308 N PRO A 21 2.103 -17.240 -9.941 1.00 25.00 N ATOM 309 CA PRO A 21 1.323 -15.998 -10.002 1.00 25.00 C ATOM 310 C PRO A 21 2.103 -14.786 -10.514 1.00 25.00 C ATOM 311 O PRO A 21 1.511 -13.792 -10.931 1.00 25.00 O ATOM 312 CB PRO A 21 0.918 -15.786 -8.542 1.00 25.00 C ATOM 313 CG PRO A 21 2.051 -16.358 -7.775 1.00 25.00 C ATOM 314 CD PRO A 21 2.430 -17.597 -8.545 1.00 25.00 C ATOM 0 HA PRO A 21 0.496 -16.088 -10.706 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.775 -14.729 -8.316 1.00 25.00 H new ATOM 0 HB3 PRO A 21 -0.019 -16.292 -8.309 1.00 25.00 H new ATOM 0 HG2 PRO A 21 2.884 -15.657 -7.713 1.00 25.00 H new ATOM 0 HG3 PRO A 21 1.759 -16.598 -6.753 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.487 -17.837 -8.428 1.00 25.00 H new ATOM 0 HD3 PRO A 21 1.867 -18.468 -8.209 1.00 25.00 H new ATOM 322 N ASP A 22 3.427 -14.866 -10.465 1.00 25.00 N ATOM 323 CA ASP A 22 4.296 -13.767 -10.887 1.00 25.00 C ATOM 324 C ASP A 22 4.544 -13.859 -12.389 1.00 25.00 C ATOM 325 O ASP A 22 5.042 -12.924 -13.030 1.00 25.00 O ATOM 326 CB ASP A 22 5.633 -13.867 -10.151 1.00 25.00 C ATOM 327 CG ASP A 22 5.484 -13.713 -8.656 1.00 25.00 C ATOM 328 OD1 ASP A 22 5.767 -14.691 -7.929 1.00 25.00 O ATOM 329 OD2 ASP A 22 5.053 -12.634 -8.200 1.00 25.00 O ATOM 0 H ASP A 22 3.930 -15.689 -10.134 1.00 25.00 H new ATOM 0 HA ASP A 22 3.816 -12.817 -10.654 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.093 -14.831 -10.370 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.309 -13.099 -10.526 1.00 25.00 H new ATOM 334 N GLU A 23 4.225 -15.014 -12.947 1.00 25.00 N ATOM 335 CA GLU A 23 4.401 -15.285 -14.359 1.00 25.00 C ATOM 336 C GLU A 23 3.127 -14.880 -15.104 1.00 25.00 C ATOM 337 O GLU A 23 2.024 -15.010 -14.576 1.00 25.00 O ATOM 338 CB GLU A 23 4.669 -16.782 -14.533 1.00 25.00 C ATOM 339 CG GLU A 23 5.050 -17.183 -15.928 1.00 25.00 C ATOM 340 CD GLU A 23 5.212 -18.692 -16.069 1.00 25.00 C ATOM 341 OE1 GLU A 23 4.755 -19.448 -15.172 1.00 25.00 O ATOM 342 OE2 GLU A 23 5.737 -19.126 -17.121 1.00 25.00 O ATOM 0 H GLU A 23 3.832 -15.797 -12.425 1.00 25.00 H new ATOM 0 HA GLU A 23 5.240 -14.718 -14.762 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.467 -17.078 -13.852 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.777 -17.335 -14.239 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.288 -16.834 -16.625 1.00 25.00 H new ATOM 0 HG3 GLU A 23 5.983 -16.692 -16.203 1.00 25.00 H new ATOM 349 N LEU A 24 3.259 -14.386 -16.327 1.00 25.00 N ATOM 350 CA LEU A 24 2.091 -14.003 -17.115 1.00 25.00 C ATOM 351 C LEU A 24 1.689 -15.069 -18.135 1.00 25.00 C ATOM 352 O LEU A 24 2.523 -15.590 -18.878 1.00 25.00 O ATOM 353 CB LEU A 24 2.366 -12.698 -17.857 1.00 25.00 C ATOM 354 CG LEU A 24 1.478 -11.507 -17.478 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.917 -10.291 -18.280 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.011 -11.769 -17.736 1.00 25.00 C ATOM 0 H LEU A 24 4.154 -14.241 -16.794 1.00 25.00 H new ATOM 0 HA LEU A 24 1.268 -13.883 -16.411 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.406 -12.419 -17.686 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.256 -12.881 -18.926 1.00 25.00 H new ATOM 0 HG LEU A 24 1.595 -11.339 -16.407 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.292 -9.437 -18.018 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.958 -10.062 -18.053 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.816 -10.502 -19.345 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.590 -10.891 -17.449 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.166 -11.975 -18.795 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.337 -12.627 -17.148 1.00 25.00 H new ATOM 368 N SER A 25 0.395 -15.336 -18.221 1.00 25.00 N ATOM 369 CA SER A 25 -0.143 -16.171 -19.287 1.00 25.00 C ATOM 370 C SER A 25 -0.354 -15.247 -20.481 1.00 25.00 C ATOM 371 O SER A 25 -0.840 -14.133 -20.310 1.00 25.00 O ATOM 372 CB SER A 25 -1.489 -16.773 -18.887 1.00 25.00 C ATOM 373 OG SER A 25 -1.363 -17.629 -17.768 1.00 25.00 O ATOM 0 H SER A 25 -0.304 -14.987 -17.565 1.00 25.00 H new ATOM 0 HA SER A 25 0.538 -16.993 -19.507 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.192 -15.973 -18.657 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.904 -17.330 -19.727 1.00 25.00 H new ATOM 0 HG SER A 25 -2.242 -17.996 -17.537 1.00 25.00 H new ATOM 379 N PHE A 26 -0.024 -15.704 -21.675 1.00 25.00 N ATOM 380 CA PHE A 26 -0.204 -14.913 -22.890 1.00 25.00 C ATOM 381 C PHE A 26 -0.269 -15.900 -24.035 1.00 25.00 C ATOM 382 O PHE A 26 0.082 -17.059 -23.867 1.00 25.00 O ATOM 383 CB PHE A 26 0.954 -13.933 -23.089 1.00 25.00 C ATOM 384 CG PHE A 26 2.312 -14.585 -23.080 1.00 25.00 C ATOM 385 CD1 PHE A 26 3.036 -14.690 -21.877 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.884 -15.084 -24.271 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.308 -15.297 -21.851 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.169 -15.691 -24.262 1.00 25.00 C ATOM 389 CZ PHE A 26 4.882 -15.793 -23.047 1.00 25.00 C ATOM 0 H PHE A 26 0.375 -16.629 -21.835 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.112 -14.313 -22.830 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.818 -13.412 -24.037 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.918 -13.179 -22.303 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.612 -14.301 -20.963 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.338 -15.003 -25.200 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.845 -15.384 -20.918 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.597 -16.072 -25.178 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.861 -16.248 -23.030 1.00 25.00 H new ATOM 399 N ARG A 27 -0.745 -15.480 -25.198 1.00 25.00 N ATOM 400 CA ARG A 27 -0.896 -16.413 -26.311 1.00 25.00 C ATOM 401 C ARG A 27 -0.161 -15.953 -27.543 1.00 25.00 C ATOM 402 O ARG A 27 0.017 -14.770 -27.749 1.00 25.00 O ATOM 403 CB ARG A 27 -2.378 -16.627 -26.620 1.00 25.00 C ATOM 404 CG ARG A 27 -3.176 -17.040 -25.392 1.00 25.00 C ATOM 405 CD ARG A 27 -4.455 -17.750 -25.778 1.00 25.00 C ATOM 406 NE ARG A 27 -5.358 -17.904 -24.624 1.00 25.00 N ATOM 407 CZ ARG A 27 -5.295 -18.874 -23.712 1.00 25.00 C ATOM 408 NH1 ARG A 27 -4.392 -19.822 -23.749 1.00 25.00 N ATOM 409 NH2 ARG A 27 -6.172 -18.885 -22.744 1.00 25.00 N ATOM 0 H ARG A 27 -1.029 -14.521 -25.397 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.451 -17.360 -26.008 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.797 -15.708 -27.029 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.479 -17.393 -27.389 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.570 -17.694 -24.765 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -3.413 -16.158 -24.797 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.960 -17.189 -26.564 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.218 -18.731 -26.189 1.00 25.00 H new ATOM 0 HE ARG A 27 -6.095 -17.208 -24.513 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -3.699 -19.838 -24.498 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -4.381 -20.545 -23.029 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -6.888 -18.160 -22.696 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -6.141 -19.619 -22.036 1.00 25.00 H new ATOM 423 N LYS A 28 0.235 -16.900 -28.378 1.00 25.00 N ATOM 424 CA LYS A 28 0.862 -16.574 -29.655 1.00 25.00 C ATOM 425 C LYS A 28 -0.119 -15.714 -30.442 1.00 25.00 C ATOM 426 O LYS A 28 -1.310 -16.007 -30.505 1.00 25.00 O ATOM 427 CB LYS A 28 1.243 -17.846 -30.428 1.00 25.00 C ATOM 428 CG LYS A 28 0.100 -18.835 -30.671 1.00 25.00 C ATOM 429 CD LYS A 28 0.632 -20.140 -31.237 1.00 25.00 C ATOM 430 CE LYS A 28 -0.483 -21.184 -31.347 1.00 25.00 C ATOM 431 NZ LYS A 28 0.087 -22.550 -31.592 1.00 25.00 N ATOM 0 H LYS A 28 0.135 -17.899 -28.198 1.00 25.00 H new ATOM 0 HA LYS A 28 1.790 -16.027 -29.492 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.659 -17.554 -31.392 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.035 -18.359 -29.882 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.427 -19.026 -29.736 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.623 -18.401 -31.362 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.068 -19.963 -32.220 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.429 -20.520 -30.598 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -1.073 -21.190 -30.430 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -1.159 -20.916 -32.159 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -0.687 -23.241 -31.663 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 0.630 -22.546 -32.479 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 0.713 -22.811 -30.804 1.00 25.00 H new ATOM 445 N GLY A 29 0.384 -14.621 -30.989 1.00 25.00 N ATOM 446 CA GLY A 29 -0.449 -13.688 -31.725 1.00 25.00 C ATOM 447 C GLY A 29 -0.971 -12.535 -30.892 1.00 25.00 C ATOM 448 O GLY A 29 -1.433 -11.554 -31.465 1.00 25.00 O ATOM 0 H GLY A 29 1.368 -14.358 -30.937 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.124 -13.288 -32.561 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.295 -14.229 -32.148 1.00 25.00 H new ATOM 452 N ASP A 30 -0.882 -12.638 -29.573 1.00 25.00 N ATOM 453 CA ASP A 30 -1.349 -11.584 -28.666 1.00 25.00 C ATOM 454 C ASP A 30 -0.259 -10.524 -28.522 1.00 25.00 C ATOM 455 O ASP A 30 0.896 -10.777 -28.879 1.00 25.00 O ATOM 456 CB ASP A 30 -1.674 -12.189 -27.300 1.00 25.00 C ATOM 457 CG ASP A 30 -2.720 -11.402 -26.544 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.062 -10.278 -26.956 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.214 -11.937 -25.528 1.00 25.00 O ATOM 0 H ASP A 30 -0.487 -13.449 -29.097 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.249 -11.122 -29.072 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -2.023 -13.213 -27.435 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.763 -12.239 -26.704 1.00 25.00 H new ATOM 464 N ILE A 31 -0.608 -9.345 -28.033 1.00 25.00 N ATOM 465 CA ILE A 31 0.340 -8.233 -27.901 1.00 25.00 C ATOM 466 C ILE A 31 0.278 -7.693 -26.475 1.00 25.00 C ATOM 467 O ILE A 31 -0.797 -7.438 -25.950 1.00 25.00 O ATOM 468 CB ILE A 31 0.012 -7.075 -28.923 1.00 25.00 C ATOM 469 CG1 ILE A 31 0.260 -7.543 -30.372 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.916 -5.844 -28.671 1.00 25.00 C ATOM 471 CD1 ILE A 31 -0.940 -8.155 -31.081 1.00 25.00 C ATOM 0 H ILE A 31 -1.552 -9.125 -27.715 1.00 25.00 H new ATOM 0 HA ILE A 31 1.342 -8.602 -28.122 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.036 -6.809 -28.781 1.00 25.00 H new ATOM 0 HG12 ILE A 31 0.608 -6.691 -30.955 1.00 25.00 H new ATOM 0 HG13 ILE A 31 1.067 -8.275 -30.365 1.00 25.00 H new ATOM 0 HG21 ILE A 31 0.671 -5.060 -29.387 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.753 -5.474 -27.659 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.961 -6.130 -28.789 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.655 -8.449 -32.091 1.00 25.00 H new ATOM 0 HD12 ILE A 31 -1.280 -9.032 -30.530 1.00 25.00 H new ATOM 0 HD13 ILE A 31 -1.746 -7.423 -31.130 1.00 25.00 H new ATOM 483 N MET A 32 1.443 -7.512 -25.870 1.00 25.00 N ATOM 484 CA MET A 32 1.549 -7.001 -24.504 1.00 25.00 C ATOM 485 C MET A 32 2.523 -5.840 -24.447 1.00 25.00 C ATOM 486 O MET A 32 3.454 -5.752 -25.262 1.00 25.00 O ATOM 487 CB MET A 32 2.016 -8.115 -23.558 1.00 25.00 C ATOM 488 CG MET A 32 3.317 -8.799 -23.969 1.00 25.00 C ATOM 489 SD MET A 32 3.174 -10.586 -23.782 1.00 25.00 S ATOM 490 CE MET A 32 2.079 -10.986 -25.184 1.00 25.00 C ATOM 0 H MET A 32 2.342 -7.714 -26.308 1.00 25.00 H new ATOM 0 HA MET A 32 0.566 -6.652 -24.189 1.00 25.00 H new ATOM 0 HB2 MET A 32 2.142 -7.696 -22.560 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.231 -8.868 -23.491 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.553 -8.553 -25.004 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.139 -8.428 -23.358 1.00 25.00 H new ATOM 0 HE1 MET A 32 1.923 -12.064 -25.228 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.120 -10.485 -25.051 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.539 -10.648 -26.113 1.00 25.00 H new ATOM 500 N THR A 33 2.306 -4.939 -23.506 1.00 25.00 N ATOM 501 CA THR A 33 3.168 -3.774 -23.343 1.00 25.00 C ATOM 502 C THR A 33 4.348 -4.173 -22.474 1.00 25.00 C ATOM 503 O THR A 33 4.158 -4.736 -21.403 1.00 25.00 O ATOM 504 CB THR A 33 2.416 -2.600 -22.675 1.00 25.00 C ATOM 505 OG1 THR A 33 1.214 -2.339 -23.401 1.00 25.00 O ATOM 506 CG2 THR A 33 3.251 -1.322 -22.680 1.00 25.00 C ATOM 0 H THR A 33 1.537 -4.989 -22.838 1.00 25.00 H new ATOM 0 HA THR A 33 3.499 -3.441 -24.327 1.00 25.00 H new ATOM 0 HB THR A 33 2.206 -2.885 -21.644 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.732 -1.596 -22.980 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.690 -0.519 -22.202 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.179 -1.491 -22.133 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.482 -1.042 -23.708 1.00 25.00 H new ATOM 514 N VAL A 34 5.553 -3.882 -22.934 1.00 25.00 N ATOM 515 CA VAL A 34 6.781 -4.160 -22.181 1.00 25.00 C ATOM 516 C VAL A 34 7.091 -2.908 -21.373 1.00 25.00 C ATOM 517 O VAL A 34 7.237 -1.810 -21.920 1.00 25.00 O ATOM 518 CB VAL A 34 7.976 -4.502 -23.122 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.275 -4.662 -22.322 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.684 -5.795 -23.908 1.00 25.00 C ATOM 0 H VAL A 34 5.716 -3.445 -23.841 1.00 25.00 H new ATOM 0 HA VAL A 34 6.635 -5.029 -21.539 1.00 25.00 H new ATOM 0 HB VAL A 34 8.100 -3.677 -23.823 1.00 25.00 H new ATOM 0 HG11 VAL A 34 10.094 -4.900 -23.001 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.497 -3.732 -21.799 1.00 25.00 H new ATOM 0 HG13 VAL A 34 9.159 -5.468 -21.597 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.527 -6.022 -24.561 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.533 -6.619 -23.210 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.785 -5.660 -24.509 1.00 25.00 H new ATOM 530 N LEU A 35 7.119 -3.074 -20.064 1.00 25.00 N ATOM 531 CA LEU A 35 7.262 -1.956 -19.140 1.00 25.00 C ATOM 532 C LEU A 35 8.706 -1.798 -18.690 1.00 25.00 C ATOM 533 O LEU A 35 9.217 -0.680 -18.583 1.00 25.00 O ATOM 534 CB LEU A 35 6.380 -2.216 -17.910 1.00 25.00 C ATOM 535 CG LEU A 35 4.900 -2.541 -18.204 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.211 -2.959 -16.919 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.158 -1.363 -18.825 1.00 25.00 C ATOM 0 H LEU A 35 7.044 -3.984 -19.609 1.00 25.00 H new ATOM 0 HA LEU A 35 6.958 -1.041 -19.649 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.810 -3.044 -17.346 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.419 -1.338 -17.266 1.00 25.00 H new ATOM 0 HG LEU A 35 4.879 -3.355 -18.929 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.166 -3.189 -17.125 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.704 -3.842 -16.513 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.268 -2.146 -16.195 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.122 -1.644 -19.012 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.186 -0.514 -18.142 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.635 -1.088 -19.766 1.00 25.00 H new ATOM 549 N GLU A 36 9.353 -2.926 -18.438 1.00 25.00 N ATOM 550 CA GLU A 36 10.724 -2.970 -17.922 1.00 25.00 C ATOM 551 C GLU A 36 11.376 -4.233 -18.497 1.00 25.00 C ATOM 552 O GLU A 36 10.669 -5.109 -19.001 1.00 25.00 O ATOM 553 CB GLU A 36 10.691 -3.025 -16.389 1.00 25.00 C ATOM 554 CG GLU A 36 12.019 -2.742 -15.706 1.00 25.00 C ATOM 555 CD GLU A 36 11.879 -2.715 -14.199 1.00 25.00 C ATOM 556 OE1 GLU A 36 11.447 -3.739 -13.628 1.00 25.00 O ATOM 557 OE2 GLU A 36 12.165 -1.664 -13.596 1.00 25.00 O ATOM 0 H GLU A 36 8.942 -3.848 -18.585 1.00 25.00 H new ATOM 0 HA GLU A 36 11.291 -2.085 -18.212 1.00 25.00 H new ATOM 0 HB2 GLU A 36 9.955 -2.305 -16.031 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.346 -4.013 -16.083 1.00 25.00 H new ATOM 0 HG2 GLU A 36 12.744 -3.504 -15.990 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.410 -1.785 -16.052 1.00 25.00 H new ATOM 564 N ARG A 37 12.700 -4.339 -18.432 1.00 25.00 N ATOM 565 CA ARG A 37 13.413 -5.525 -18.904 1.00 25.00 C ATOM 566 C ARG A 37 14.361 -5.947 -17.814 1.00 25.00 C ATOM 567 O ARG A 37 14.802 -5.103 -17.052 1.00 25.00 O ATOM 568 CB ARG A 37 14.240 -5.235 -20.153 1.00 25.00 C ATOM 569 CG ARG A 37 13.452 -4.765 -21.330 1.00 25.00 C ATOM 570 CD ARG A 37 14.335 -4.742 -22.556 1.00 25.00 C ATOM 571 NE ARG A 37 13.774 -3.880 -23.602 1.00 25.00 N ATOM 572 CZ ARG A 37 14.239 -3.783 -24.842 1.00 25.00 C ATOM 573 NH1 ARG A 37 15.244 -4.506 -25.275 1.00 25.00 N ATOM 574 NH2 ARG A 37 13.681 -2.931 -25.658 1.00 25.00 N ATOM 0 H ARG A 37 13.307 -3.612 -18.054 1.00 25.00 H new ATOM 0 HA ARG A 37 12.682 -6.295 -19.148 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.988 -4.480 -19.909 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.780 -6.140 -20.433 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.600 -5.424 -21.496 1.00 25.00 H new ATOM 0 HG3 ARG A 37 13.053 -3.769 -21.139 1.00 25.00 H new ATOM 0 HD2 ARG A 37 15.329 -4.387 -22.284 1.00 25.00 H new ATOM 0 HD3 ARG A 37 14.452 -5.755 -22.941 1.00 25.00 H new ATOM 0 HE ARG A 37 12.964 -3.311 -23.358 1.00 25.00 H new ATOM 0 HH11 ARG A 37 15.698 -5.173 -24.651 1.00 25.00 H new ATOM 0 HH12 ARG A 37 15.571 -4.401 -26.235 1.00 25.00 H new ATOM 0 HH21 ARG A 37 12.902 -2.355 -25.339 1.00 25.00 H new ATOM 0 HH22 ARG A 37 14.024 -2.842 -26.615 1.00 25.00 H new ATOM 588 N ASP A 38 14.673 -7.237 -17.781 1.00 25.00 N ATOM 589 CA ASP A 38 15.627 -7.834 -16.843 1.00 25.00 C ATOM 590 C ASP A 38 15.168 -7.507 -15.425 1.00 25.00 C ATOM 591 O ASP A 38 15.952 -7.239 -14.521 1.00 25.00 O ATOM 592 CB ASP A 38 17.049 -7.360 -17.165 1.00 25.00 C ATOM 593 CG ASP A 38 17.367 -7.478 -18.661 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.968 -6.534 -19.221 1.00 25.00 O ATOM 595 OD2 ASP A 38 16.898 -8.449 -19.309 1.00 25.00 O ATOM 0 H ASP A 38 14.261 -7.917 -18.420 1.00 25.00 H new ATOM 0 HA ASP A 38 15.656 -8.920 -16.935 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.166 -6.323 -16.850 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.766 -7.950 -16.594 1.00 25.00 H new ATOM 600 N THR A 39 13.850 -7.526 -15.275 1.00 25.00 N ATOM 601 CA THR A 39 13.149 -7.043 -14.080 1.00 25.00 C ATOM 602 C THR A 39 13.379 -7.932 -12.856 1.00 25.00 C ATOM 603 O THR A 39 13.169 -7.523 -11.715 1.00 25.00 O ATOM 604 CB THR A 39 11.616 -6.975 -14.394 1.00 25.00 C ATOM 605 OG1 THR A 39 10.907 -6.396 -13.301 1.00 25.00 O ATOM 606 CG2 THR A 39 11.027 -8.373 -14.674 1.00 25.00 C ATOM 0 H THR A 39 13.220 -7.884 -15.993 1.00 25.00 H new ATOM 0 HA THR A 39 13.547 -6.058 -13.836 1.00 25.00 H new ATOM 0 HB THR A 39 11.503 -6.358 -15.286 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.028 -5.424 -13.311 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.962 -8.283 -14.887 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.533 -8.816 -15.532 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.170 -9.009 -13.801 1.00 25.00 H new ATOM 614 N GLN A 40 13.843 -9.147 -13.107 1.00 25.00 N ATOM 615 CA GLN A 40 14.109 -10.102 -12.040 1.00 25.00 C ATOM 616 C GLN A 40 15.616 -10.329 -11.917 1.00 25.00 C ATOM 617 O GLN A 40 16.063 -11.228 -11.218 1.00 25.00 O ATOM 618 CB GLN A 40 13.381 -11.414 -12.360 1.00 25.00 C ATOM 619 CG GLN A 40 12.522 -11.940 -11.211 1.00 25.00 C ATOM 620 CD GLN A 40 13.348 -12.533 -10.082 1.00 25.00 C ATOM 621 OE1 GLN A 40 13.938 -13.593 -10.221 1.00 25.00 O ATOM 622 NE2 GLN A 40 13.375 -11.862 -8.960 1.00 25.00 N ATOM 0 H GLN A 40 14.044 -9.497 -14.044 1.00 25.00 H new ATOM 0 HA GLN A 40 13.745 -9.717 -11.087 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.748 -11.263 -13.235 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.118 -12.172 -12.626 1.00 25.00 H new ATOM 0 HG2 GLN A 40 11.910 -11.127 -10.819 1.00 25.00 H new ATOM 0 HG3 GLN A 40 11.838 -12.699 -11.592 1.00 25.00 H new ATOM 0 HE21 GLN A 40 12.870 -10.980 -8.881 1.00 25.00 H new ATOM 0 HE22 GLN A 40 13.902 -12.221 -8.164 1.00 25.00 H new ATOM 631 N GLY A 41 16.390 -9.553 -12.669 1.00 25.00 N ATOM 632 CA GLY A 41 17.831 -9.758 -12.740 1.00 25.00 C ATOM 633 C GLY A 41 18.155 -10.829 -13.765 1.00 25.00 C ATOM 634 O GLY A 41 19.311 -11.068 -14.103 1.00 25.00 O ATOM 0 H GLY A 41 16.044 -8.779 -13.236 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.326 -8.825 -13.009 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.213 -10.052 -11.762 1.00 25.00 H new ATOM 638 N LEU A 42 17.114 -11.483 -14.263 1.00 25.00 N ATOM 639 CA LEU A 42 17.249 -12.514 -15.282 1.00 25.00 C ATOM 640 C LEU A 42 17.319 -11.852 -16.655 1.00 25.00 C ATOM 641 O LEU A 42 16.369 -11.200 -17.092 1.00 25.00 O ATOM 642 CB LEU A 42 16.048 -13.467 -15.238 1.00 25.00 C ATOM 643 CG LEU A 42 15.835 -14.267 -13.948 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.473 -14.973 -14.015 1.00 25.00 C ATOM 645 CD2 LEU A 42 16.946 -15.295 -13.735 1.00 25.00 C ATOM 0 H LEU A 42 16.152 -11.313 -13.971 1.00 25.00 H new ATOM 0 HA LEU A 42 18.159 -13.085 -15.094 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.147 -12.884 -15.426 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.148 -14.174 -16.061 1.00 25.00 H new ATOM 0 HG LEU A 42 15.859 -13.577 -13.105 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.314 -15.544 -13.101 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.683 -14.230 -14.120 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.454 -15.647 -14.872 1.00 25.00 H new ATOM 0 HD21 LEU A 42 16.762 -15.843 -12.811 1.00 25.00 H new ATOM 0 HD22 LEU A 42 16.963 -15.992 -14.573 1.00 25.00 H new ATOM 0 HD23 LEU A 42 17.907 -14.784 -13.669 1.00 25.00 H new ATOM 657 N ASP A 43 18.441 -12.032 -17.330 1.00 25.00 N ATOM 658 CA ASP A 43 18.645 -11.470 -18.659 1.00 25.00 C ATOM 659 C ASP A 43 17.591 -12.026 -19.612 1.00 25.00 C ATOM 660 O ASP A 43 17.363 -13.242 -19.677 1.00 25.00 O ATOM 661 CB ASP A 43 20.056 -11.823 -19.163 1.00 25.00 C ATOM 662 CG ASP A 43 20.472 -11.027 -20.408 1.00 25.00 C ATOM 663 OD1 ASP A 43 19.682 -10.926 -21.372 1.00 25.00 O ATOM 664 OD2 ASP A 43 21.631 -10.566 -20.436 1.00 25.00 O ATOM 0 H ASP A 43 19.234 -12.568 -16.977 1.00 25.00 H new ATOM 0 HA ASP A 43 18.550 -10.385 -18.615 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.776 -11.639 -18.365 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.097 -12.888 -19.391 1.00 25.00 H new ATOM 669 N GLY A 44 16.912 -11.129 -20.311 1.00 25.00 N ATOM 670 CA GLY A 44 15.921 -11.530 -21.290 1.00 25.00 C ATOM 671 C GLY A 44 14.511 -11.705 -20.757 1.00 25.00 C ATOM 672 O GLY A 44 13.610 -11.998 -21.531 1.00 25.00 O ATOM 0 H GLY A 44 17.031 -10.120 -20.217 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.900 -10.786 -22.086 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.240 -12.470 -21.740 1.00 25.00 H new ATOM 676 N TRP A 45 14.286 -11.513 -19.468 1.00 25.00 N ATOM 677 CA TRP A 45 12.927 -11.614 -18.914 1.00 25.00 C ATOM 678 C TRP A 45 12.361 -10.224 -18.725 1.00 25.00 C ATOM 679 O TRP A 45 12.974 -9.385 -18.080 1.00 25.00 O ATOM 680 CB TRP A 45 12.945 -12.360 -17.587 1.00 25.00 C ATOM 681 CG TRP A 45 13.024 -13.836 -17.790 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.131 -14.576 -18.043 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.930 -14.772 -17.779 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.832 -15.898 -18.176 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.483 -16.066 -18.018 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.538 -14.653 -17.585 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.690 -17.229 -18.060 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.737 -15.826 -17.624 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.324 -17.102 -17.858 1.00 25.00 C ATOM 0 H TRP A 45 15.010 -11.289 -18.785 1.00 25.00 H new ATOM 0 HA TRP A 45 12.298 -12.171 -19.608 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.796 -12.027 -16.993 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.046 -12.117 -17.020 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.127 -14.168 -18.129 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.504 -16.642 -18.363 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.089 -13.687 -17.410 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.135 -18.196 -18.245 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.670 -15.749 -17.474 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.698 -17.982 -17.878 1.00 25.00 H new ATOM 700 N TRP A 46 11.226 -9.942 -19.341 1.00 25.00 N ATOM 701 CA TRP A 46 10.693 -8.589 -19.356 1.00 25.00 C ATOM 702 C TRP A 46 9.412 -8.497 -18.553 1.00 25.00 C ATOM 703 O TRP A 46 8.616 -9.433 -18.533 1.00 25.00 O ATOM 704 CB TRP A 46 10.436 -8.161 -20.798 1.00 25.00 C ATOM 705 CG TRP A 46 11.678 -8.205 -21.680 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.973 -8.370 -21.292 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.723 -8.100 -23.111 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.820 -8.385 -22.354 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.092 -8.222 -23.498 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.746 -7.930 -24.113 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.502 -8.182 -24.848 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.154 -7.891 -25.472 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.529 -8.023 -25.822 1.00 25.00 C ATOM 0 H TRP A 46 10.657 -10.629 -19.836 1.00 25.00 H new ATOM 0 HA TRP A 46 11.425 -7.923 -18.899 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.672 -8.808 -21.229 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.035 -7.148 -20.801 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.288 -8.476 -20.265 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.832 -8.499 -22.305 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.703 -7.831 -23.851 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.545 -8.273 -25.114 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.415 -7.760 -26.249 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.817 -7.999 -26.863 1.00 25.00 H new ATOM 724 N LEU A 47 9.210 -7.365 -17.903 1.00 25.00 N ATOM 725 CA LEU A 47 7.987 -7.120 -17.154 1.00 25.00 C ATOM 726 C LEU A 47 6.963 -6.627 -18.151 1.00 25.00 C ATOM 727 O LEU A 47 7.150 -5.569 -18.758 1.00 25.00 O ATOM 728 CB LEU A 47 8.217 -6.046 -16.090 1.00 25.00 C ATOM 729 CG LEU A 47 7.069 -5.800 -15.109 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.845 -7.008 -14.198 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.413 -4.567 -14.270 1.00 25.00 C ATOM 0 H LEU A 47 9.880 -6.596 -17.878 1.00 25.00 H new ATOM 0 HA LEU A 47 7.656 -8.028 -16.649 1.00 25.00 H new ATOM 0 HB2 LEU A 47 9.103 -6.318 -15.517 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.441 -5.107 -16.596 1.00 25.00 H new ATOM 0 HG LEU A 47 6.147 -5.639 -15.668 1.00 25.00 H new ATOM 0 HD11 LEU A 47 6.023 -6.800 -13.513 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.601 -7.880 -14.804 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.752 -7.206 -13.626 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.607 -4.372 -13.562 1.00 25.00 H new ATOM 0 HD22 LEU A 47 8.340 -4.745 -13.725 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.537 -3.704 -14.925 1.00 25.00 H new ATOM 743 N CYS A 48 5.909 -7.394 -18.361 1.00 25.00 N ATOM 744 CA CYS A 48 4.881 -7.023 -19.320 1.00 25.00 C ATOM 745 C CYS A 48 3.521 -6.941 -18.650 1.00 25.00 C ATOM 746 O CYS A 48 3.331 -7.468 -17.555 1.00 25.00 O ATOM 747 CB CYS A 48 4.846 -8.050 -20.448 1.00 25.00 C ATOM 748 SG CYS A 48 6.451 -8.269 -21.253 1.00 25.00 S ATOM 0 H CYS A 48 5.741 -8.278 -17.881 1.00 25.00 H new ATOM 0 HA CYS A 48 5.119 -6.040 -19.727 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.512 -9.008 -20.050 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.112 -7.740 -21.192 1.00 25.00 H new ATOM 0 HG CYS A 48 7.316 -8.704 -20.385 1.00 25.00 H new ATOM 754 N SER A 49 2.570 -6.319 -19.332 1.00 25.00 N ATOM 755 CA SER A 49 1.186 -6.266 -18.877 1.00 25.00 C ATOM 756 C SER A 49 0.276 -6.848 -19.962 1.00 25.00 C ATOM 757 O SER A 49 0.405 -6.506 -21.141 1.00 25.00 O ATOM 758 CB SER A 49 0.796 -4.827 -18.551 1.00 25.00 C ATOM 759 OG SER A 49 1.110 -3.955 -19.621 1.00 25.00 O ATOM 0 H SER A 49 2.735 -5.837 -20.216 1.00 25.00 H new ATOM 0 HA SER A 49 1.074 -6.858 -17.969 1.00 25.00 H new ATOM 0 HB2 SER A 49 -0.272 -4.776 -18.339 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.316 -4.502 -17.650 1.00 25.00 H new ATOM 0 HG SER A 49 1.006 -4.430 -20.472 1.00 25.00 H new ATOM 765 N LEU A 50 -0.611 -7.748 -19.557 1.00 25.00 N ATOM 766 CA LEU A 50 -1.507 -8.457 -20.475 1.00 25.00 C ATOM 767 C LEU A 50 -2.716 -8.963 -19.676 1.00 25.00 C ATOM 768 O LEU A 50 -2.567 -9.376 -18.534 1.00 25.00 O ATOM 769 CB LEU A 50 -0.741 -9.638 -21.113 1.00 25.00 C ATOM 770 CG LEU A 50 -1.254 -10.329 -22.393 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.299 -11.393 -22.101 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.808 -9.329 -23.408 1.00 25.00 C ATOM 0 H LEU A 50 -0.733 -8.011 -18.579 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.853 -7.796 -21.270 1.00 25.00 H new ATOM 0 HB2 LEU A 50 0.268 -9.284 -21.326 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.654 -10.410 -20.348 1.00 25.00 H new ATOM 0 HG LEU A 50 -0.382 -10.817 -22.828 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.626 -11.848 -23.036 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -1.868 -12.159 -21.456 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -3.153 -10.936 -21.601 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -2.157 -9.863 -24.292 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -2.639 -8.782 -22.963 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -1.024 -8.628 -23.694 1.00 25.00 H new ATOM 784 N HIS A 51 -3.912 -8.872 -20.253 1.00 25.00 N ATOM 785 CA HIS A 51 -5.169 -9.298 -19.593 1.00 25.00 C ATOM 786 C HIS A 51 -5.411 -8.573 -18.252 1.00 25.00 C ATOM 787 O HIS A 51 -5.954 -9.135 -17.301 1.00 25.00 O ATOM 788 CB HIS A 51 -5.182 -10.829 -19.401 1.00 25.00 C ATOM 789 CG HIS A 51 -6.559 -11.420 -19.365 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.430 -11.298 -18.315 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.229 -12.161 -20.289 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.549 -11.944 -18.616 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.479 -12.498 -19.809 1.00 25.00 N ATOM 0 H HIS A 51 -4.050 -8.502 -21.193 1.00 25.00 H new ATOM 0 HA HIS A 51 -5.990 -9.015 -20.252 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.618 -11.293 -20.211 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.667 -11.074 -18.472 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -7.249 -10.795 -17.447 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -6.840 -12.444 -21.256 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -9.409 -12.008 -17.965 1.00 25.00 H new ATOM 801 N GLY A 52 -4.977 -7.324 -18.164 1.00 25.00 N ATOM 802 CA GLY A 52 -5.156 -6.546 -16.942 1.00 25.00 C ATOM 803 C GLY A 52 -4.239 -6.981 -15.808 1.00 25.00 C ATOM 804 O GLY A 52 -4.334 -6.465 -14.701 1.00 25.00 O ATOM 0 H GLY A 52 -4.501 -6.828 -18.918 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.977 -5.493 -17.161 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.192 -6.631 -16.614 1.00 25.00 H new ATOM 808 N ARG A 53 -3.351 -7.922 -16.088 1.00 25.00 N ATOM 809 CA ARG A 53 -2.397 -8.420 -15.107 1.00 25.00 C ATOM 810 C ARG A 53 -1.027 -7.986 -15.564 1.00 25.00 C ATOM 811 O ARG A 53 -0.854 -7.592 -16.712 1.00 25.00 O ATOM 812 CB ARG A 53 -2.448 -9.950 -15.013 1.00 25.00 C ATOM 813 CG ARG A 53 -3.745 -10.490 -14.464 1.00 25.00 C ATOM 814 CD ARG A 53 -3.599 -11.974 -14.161 1.00 25.00 C ATOM 815 NE ARG A 53 -4.841 -12.540 -13.615 1.00 25.00 N ATOM 816 CZ ARG A 53 -4.976 -13.779 -13.149 1.00 25.00 C ATOM 817 NH1 ARG A 53 -3.976 -14.633 -13.128 1.00 25.00 N ATOM 818 NH2 ARG A 53 -6.134 -14.162 -12.685 1.00 25.00 N ATOM 0 H ARG A 53 -3.271 -8.364 -17.004 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.634 -8.023 -14.120 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.283 -10.370 -16.005 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.628 -10.292 -14.382 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -4.020 -9.950 -13.558 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.548 -10.334 -15.184 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -3.325 -12.507 -15.072 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -2.787 -12.122 -13.449 1.00 25.00 H new ATOM 0 HE ARG A 53 -5.663 -11.936 -13.592 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -3.059 -14.353 -13.477 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -4.117 -15.575 -12.763 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -6.922 -13.514 -12.683 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -6.251 -15.109 -12.325 1.00 25.00 H new ATOM 832 N GLN A 54 -0.065 -8.049 -14.670 1.00 25.00 N ATOM 833 CA GLN A 54 1.308 -7.703 -14.978 1.00 25.00 C ATOM 834 C GLN A 54 2.115 -8.849 -14.414 1.00 25.00 C ATOM 835 O GLN A 54 1.715 -9.444 -13.423 1.00 25.00 O ATOM 836 CB GLN A 54 1.654 -6.372 -14.315 1.00 25.00 C ATOM 837 CG GLN A 54 3.078 -5.881 -14.505 1.00 25.00 C ATOM 838 CD GLN A 54 3.350 -4.640 -13.684 1.00 25.00 C ATOM 839 OE1 GLN A 54 4.182 -4.642 -12.800 1.00 25.00 O ATOM 840 NE2 GLN A 54 2.633 -3.582 -13.961 1.00 25.00 N ATOM 0 H GLN A 54 -0.212 -8.343 -13.704 1.00 25.00 H new ATOM 0 HA GLN A 54 1.503 -7.572 -16.042 1.00 25.00 H new ATOM 0 HB2 GLN A 54 0.975 -5.611 -14.699 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.462 -6.461 -13.246 1.00 25.00 H new ATOM 0 HG2 GLN A 54 3.776 -6.668 -14.220 1.00 25.00 H new ATOM 0 HG3 GLN A 54 3.253 -5.667 -15.559 1.00 25.00 H new ATOM 0 HE21 GLN A 54 1.943 -3.616 -14.711 1.00 25.00 H new ATOM 0 HE22 GLN A 54 2.764 -2.723 -13.427 1.00 25.00 H new ATOM 849 N GLY A 55 3.206 -9.188 -15.075 1.00 25.00 N ATOM 850 CA GLY A 55 4.025 -10.310 -14.655 1.00 25.00 C ATOM 851 C GLY A 55 5.228 -10.470 -15.551 1.00 25.00 C ATOM 852 O GLY A 55 5.396 -9.707 -16.516 1.00 25.00 O ATOM 0 H GLY A 55 3.546 -8.702 -15.905 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.352 -10.161 -13.626 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.431 -11.224 -14.672 1.00 25.00 H new ATOM 856 N ILE A 56 6.080 -11.439 -15.242 1.00 25.00 N ATOM 857 CA ILE A 56 7.288 -11.664 -16.026 1.00 25.00 C ATOM 858 C ILE A 56 6.967 -12.496 -17.268 1.00 25.00 C ATOM 859 O ILE A 56 6.104 -13.380 -17.245 1.00 25.00 O ATOM 860 CB ILE A 56 8.430 -12.326 -15.175 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.072 -13.771 -14.756 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.715 -11.456 -13.926 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.215 -14.539 -14.074 1.00 25.00 C ATOM 0 H ILE A 56 5.958 -12.079 -14.458 1.00 25.00 H new ATOM 0 HA ILE A 56 7.662 -10.691 -16.347 1.00 25.00 H new ATOM 0 HB ILE A 56 9.325 -12.383 -15.794 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.218 -13.738 -14.079 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.756 -14.325 -15.640 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.508 -11.916 -13.336 1.00 25.00 H new ATOM 0 HG22 ILE A 56 9.027 -10.460 -14.240 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.811 -11.379 -13.322 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.876 -15.542 -13.815 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.064 -14.608 -14.754 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.518 -14.013 -13.169 1.00 25.00 H new ATOM 875 N VAL A 57 7.643 -12.174 -18.360 1.00 25.00 N ATOM 876 CA VAL A 57 7.459 -12.850 -19.642 1.00 25.00 C ATOM 877 C VAL A 57 8.836 -13.035 -20.269 1.00 25.00 C ATOM 878 O VAL A 57 9.627 -12.085 -20.299 1.00 25.00 O ATOM 879 CB VAL A 57 6.588 -11.972 -20.602 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.523 -12.577 -21.997 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.171 -11.808 -20.050 1.00 25.00 C ATOM 0 H VAL A 57 8.341 -11.431 -18.385 1.00 25.00 H new ATOM 0 HA VAL A 57 6.958 -13.805 -19.486 1.00 25.00 H new ATOM 0 HB VAL A 57 7.063 -10.993 -20.668 1.00 25.00 H new ATOM 0 HG11 VAL A 57 5.911 -11.944 -22.640 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.529 -12.648 -22.410 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.082 -13.572 -21.942 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.583 -11.195 -20.733 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.704 -12.788 -19.949 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.214 -11.325 -19.074 1.00 25.00 H new ATOM 891 N PRO A 58 9.149 -14.235 -20.801 1.00 25.00 N ATOM 892 CA PRO A 58 10.450 -14.293 -21.480 1.00 25.00 C ATOM 893 C PRO A 58 10.422 -13.475 -22.782 1.00 25.00 C ATOM 894 O PRO A 58 9.639 -13.741 -23.699 1.00 25.00 O ATOM 895 CB PRO A 58 10.640 -15.786 -21.731 1.00 25.00 C ATOM 896 CG PRO A 58 9.254 -16.319 -21.842 1.00 25.00 C ATOM 897 CD PRO A 58 8.434 -15.524 -20.872 1.00 25.00 C ATOM 0 HA PRO A 58 11.270 -13.865 -20.903 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.210 -15.967 -22.642 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.185 -16.261 -20.915 1.00 25.00 H new ATOM 0 HG2 PRO A 58 8.873 -16.210 -22.858 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.223 -17.382 -21.602 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.409 -15.397 -21.221 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.381 -16.009 -19.897 1.00 25.00 H new ATOM 905 N GLY A 59 11.269 -12.458 -22.840 1.00 25.00 N ATOM 906 CA GLY A 59 11.278 -11.519 -23.950 1.00 25.00 C ATOM 907 C GLY A 59 11.681 -12.131 -25.267 1.00 25.00 C ATOM 908 O GLY A 59 11.299 -11.653 -26.328 1.00 25.00 O ATOM 0 H GLY A 59 11.966 -12.262 -22.122 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.284 -11.084 -24.052 1.00 25.00 H new ATOM 0 HA3 GLY A 59 11.961 -10.702 -23.716 1.00 25.00 H new ATOM 912 N ASN A 60 12.419 -13.226 -25.211 1.00 25.00 N ATOM 913 CA ASN A 60 12.847 -13.919 -26.422 1.00 25.00 C ATOM 914 C ASN A 60 11.662 -14.552 -27.159 1.00 25.00 C ATOM 915 O ASN A 60 11.768 -14.877 -28.338 1.00 25.00 O ATOM 916 CB ASN A 60 13.890 -14.996 -26.084 1.00 25.00 C ATOM 917 CG ASN A 60 15.203 -14.402 -25.592 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.225 -13.600 -24.681 1.00 25.00 O ATOM 919 ND2 ASN A 60 16.290 -14.797 -26.197 1.00 25.00 N ATOM 0 H ASN A 60 12.736 -13.657 -24.343 1.00 25.00 H new ATOM 0 HA ASN A 60 13.297 -13.177 -27.082 1.00 25.00 H new ATOM 0 HB2 ASN A 60 13.487 -15.661 -25.320 1.00 25.00 H new ATOM 0 HB3 ASN A 60 14.079 -15.604 -26.968 1.00 25.00 H new ATOM 0 HD21 ASN A 60 17.197 -14.430 -25.908 1.00 25.00 H new ATOM 0 HD22 ASN A 60 16.233 -15.473 -26.959 1.00 25.00 H new ATOM 926 N ARG A 61 10.522 -14.697 -26.489 1.00 25.00 N ATOM 927 CA ARG A 61 9.316 -15.217 -27.144 1.00 25.00 C ATOM 928 C ARG A 61 8.487 -14.080 -27.744 1.00 25.00 C ATOM 929 O ARG A 61 7.400 -14.318 -28.278 1.00 25.00 O ATOM 930 CB ARG A 61 8.440 -15.986 -26.145 1.00 25.00 C ATOM 931 CG ARG A 61 9.056 -17.280 -25.620 1.00 25.00 C ATOM 932 CD ARG A 61 7.976 -18.102 -24.919 1.00 25.00 C ATOM 933 NE ARG A 61 8.511 -19.273 -24.206 1.00 25.00 N ATOM 934 CZ ARG A 61 7.777 -20.156 -23.532 1.00 25.00 C ATOM 935 NH1 ARG A 61 6.473 -20.085 -23.487 1.00 25.00 N ATOM 936 NH2 ARG A 61 8.368 -21.121 -22.884 1.00 25.00 N ATOM 0 H ARG A 61 10.404 -14.466 -25.503 1.00 25.00 H new ATOM 0 HA ARG A 61 9.643 -15.889 -27.938 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.220 -15.335 -25.299 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.488 -16.220 -26.622 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.488 -17.851 -26.442 1.00 25.00 H new ATOM 0 HG3 ARG A 61 9.867 -17.056 -24.927 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.445 -17.465 -24.211 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.246 -18.436 -25.657 1.00 25.00 H new ATOM 0 HE ARG A 61 9.520 -19.419 -24.230 1.00 25.00 H new ATOM 0 HH11 ARG A 61 5.986 -19.336 -23.978 1.00 25.00 H new ATOM 0 HH12 ARG A 61 5.942 -20.779 -22.961 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.385 -21.195 -22.896 1.00 25.00 H new ATOM 0 HH22 ARG A 61 7.813 -21.802 -22.365 1.00 25.00 H new ATOM 950 N LEU A 62 8.967 -12.852 -27.613 1.00 25.00 N ATOM 951 CA LEU A 62 8.224 -11.671 -28.052 1.00 25.00 C ATOM 952 C LEU A 62 8.945 -10.952 -29.188 1.00 25.00 C ATOM 953 O LEU A 62 10.167 -10.940 -29.259 1.00 25.00 O ATOM 954 CB LEU A 62 8.068 -10.688 -26.880 1.00 25.00 C ATOM 955 CG LEU A 62 7.420 -11.172 -25.569 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.368 -9.995 -24.575 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.020 -11.716 -25.815 1.00 25.00 C ATOM 0 H LEU A 62 9.877 -12.642 -27.202 1.00 25.00 H new ATOM 0 HA LEU A 62 7.249 -12.007 -28.404 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.061 -10.311 -26.635 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.485 -9.840 -27.240 1.00 25.00 H new ATOM 0 HG LEU A 62 8.020 -11.983 -25.155 1.00 25.00 H new ATOM 0 HD11 LEU A 62 6.911 -10.326 -23.643 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.380 -9.641 -24.377 1.00 25.00 H new ATOM 0 HD13 LEU A 62 6.777 -9.185 -25.001 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.588 -12.050 -24.871 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.395 -10.932 -26.243 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.073 -12.556 -26.507 1.00 25.00 H new ATOM 969 N LYS A 63 8.181 -10.293 -30.047 1.00 25.00 N ATOM 970 CA LYS A 63 8.747 -9.482 -31.125 1.00 25.00 C ATOM 971 C LYS A 63 8.235 -8.050 -30.969 1.00 25.00 C ATOM 972 O LYS A 63 7.047 -7.797 -31.114 1.00 25.00 O ATOM 973 CB LYS A 63 8.334 -10.093 -32.473 1.00 25.00 C ATOM 974 CG LYS A 63 9.208 -9.698 -33.666 1.00 25.00 C ATOM 975 CD LYS A 63 8.849 -8.330 -34.237 1.00 25.00 C ATOM 976 CE LYS A 63 9.683 -7.987 -35.472 1.00 25.00 C ATOM 977 NZ LYS A 63 11.148 -7.862 -35.130 1.00 25.00 N ATOM 0 H LYS A 63 7.161 -10.302 -30.021 1.00 25.00 H new ATOM 0 HA LYS A 63 9.836 -9.465 -31.083 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.345 -11.179 -32.379 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.305 -9.802 -32.685 1.00 25.00 H new ATOM 0 HG2 LYS A 63 10.254 -9.695 -33.359 1.00 25.00 H new ATOM 0 HG3 LYS A 63 9.108 -10.450 -34.448 1.00 25.00 H new ATOM 0 HD2 LYS A 63 7.791 -8.313 -34.498 1.00 25.00 H new ATOM 0 HD3 LYS A 63 9.002 -7.567 -33.473 1.00 25.00 H new ATOM 0 HE2 LYS A 63 9.549 -8.760 -36.229 1.00 25.00 H new ATOM 0 HE3 LYS A 63 9.328 -7.052 -35.905 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 11.664 -7.482 -35.949 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 11.262 -7.220 -34.320 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 11.528 -8.798 -34.885 1.00 25.00 H new ATOM 991 N ILE A 64 9.137 -7.126 -30.671 1.00 25.00 N ATOM 992 CA ILE A 64 8.775 -5.717 -30.431 1.00 25.00 C ATOM 993 C ILE A 64 8.278 -5.058 -31.714 1.00 25.00 C ATOM 994 O ILE A 64 8.889 -5.209 -32.782 1.00 25.00 O ATOM 995 CB ILE A 64 9.986 -4.908 -29.848 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.440 -5.544 -28.512 1.00 25.00 C ATOM 997 CG2 ILE A 64 9.597 -3.416 -29.614 1.00 25.00 C ATOM 998 CD1 ILE A 64 11.733 -4.946 -27.923 1.00 25.00 C ATOM 0 H ILE A 64 10.135 -7.319 -30.587 1.00 25.00 H new ATOM 0 HA ILE A 64 7.970 -5.708 -29.696 1.00 25.00 H new ATOM 0 HB ILE A 64 10.803 -4.942 -30.568 1.00 25.00 H new ATOM 0 HG12 ILE A 64 9.639 -5.434 -27.781 1.00 25.00 H new ATOM 0 HG13 ILE A 64 10.587 -6.613 -28.665 1.00 25.00 H new ATOM 0 HG21 ILE A 64 10.453 -2.876 -29.210 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.298 -2.965 -30.560 1.00 25.00 H new ATOM 0 HG23 ILE A 64 8.768 -3.363 -28.908 1.00 25.00 H new ATOM 0 HD11 ILE A 64 11.975 -5.452 -26.988 1.00 25.00 H new ATOM 0 HD12 ILE A 64 12.551 -5.080 -28.631 1.00 25.00 H new ATOM 0 HD13 ILE A 64 11.588 -3.882 -27.733 1.00 25.00 H new ATOM 1010 N LEU A 65 7.173 -4.330 -31.598 1.00 25.00 N ATOM 1011 CA LEU A 65 6.569 -3.617 -32.724 1.00 25.00 C ATOM 1012 C LEU A 65 6.589 -2.121 -32.423 1.00 25.00 C ATOM 1013 O LEU A 65 6.275 -1.725 -31.314 1.00 25.00 O ATOM 1014 CB LEU A 65 5.116 -4.071 -32.929 1.00 25.00 C ATOM 1015 CG LEU A 65 4.875 -5.561 -33.232 1.00 25.00 C ATOM 1016 CD1 LEU A 65 3.370 -5.818 -33.318 1.00 25.00 C ATOM 1017 CD2 LEU A 65 5.549 -5.990 -34.544 1.00 25.00 C ATOM 0 H LEU A 65 6.668 -4.216 -30.719 1.00 25.00 H new ATOM 0 HA LEU A 65 7.135 -3.832 -33.631 1.00 25.00 H new ATOM 0 HB2 LEU A 65 4.553 -3.815 -32.031 1.00 25.00 H new ATOM 0 HB3 LEU A 65 4.693 -3.488 -33.747 1.00 25.00 H new ATOM 0 HG LEU A 65 5.314 -6.149 -32.426 1.00 25.00 H new ATOM 0 HD11 LEU A 65 3.193 -6.872 -33.532 1.00 25.00 H new ATOM 0 HD12 LEU A 65 2.901 -5.557 -32.369 1.00 25.00 H new ATOM 0 HD13 LEU A 65 2.942 -5.209 -34.114 1.00 25.00 H new ATOM 0 HD21 LEU A 65 5.356 -7.048 -34.723 1.00 25.00 H new ATOM 0 HD22 LEU A 65 5.146 -5.403 -35.369 1.00 25.00 H new ATOM 0 HD23 LEU A 65 6.624 -5.824 -34.472 1.00 25.00 H new ATOM 1029 N VAL A 66 6.946 -1.331 -33.434 1.00 25.00 N ATOM 1030 CA VAL A 66 6.967 0.152 -33.398 1.00 25.00 C ATOM 1031 C VAL A 66 7.142 0.799 -32.008 1.00 25.00 C ATOM 1032 O VAL A 66 6.184 1.214 -31.369 1.00 25.00 O ATOM 1033 CB VAL A 66 5.671 0.732 -34.074 1.00 25.00 C ATOM 1034 CG1 VAL A 66 5.857 2.225 -34.420 1.00 25.00 C ATOM 1035 CG2 VAL A 66 5.342 -0.052 -35.372 1.00 25.00 C ATOM 0 H VAL A 66 7.240 -1.706 -34.336 1.00 25.00 H new ATOM 0 HA VAL A 66 7.868 0.415 -33.953 1.00 25.00 H new ATOM 0 HB VAL A 66 4.849 0.628 -33.366 1.00 25.00 H new ATOM 0 HG11 VAL A 66 4.949 2.606 -34.887 1.00 25.00 H new ATOM 0 HG12 VAL A 66 6.060 2.787 -33.509 1.00 25.00 H new ATOM 0 HG13 VAL A 66 6.694 2.337 -35.109 1.00 25.00 H new ATOM 0 HG21 VAL A 66 4.442 0.361 -35.828 1.00 25.00 H new ATOM 0 HG22 VAL A 66 6.175 0.033 -36.070 1.00 25.00 H new ATOM 0 HG23 VAL A 66 5.177 -1.102 -35.131 1.00 25.00 H new ATOM 1045 N GLY A 67 8.388 0.880 -31.554 1.00 25.00 N ATOM 1046 CA GLY A 67 8.667 1.480 -30.254 1.00 25.00 C ATOM 1047 C GLY A 67 8.616 2.997 -30.261 1.00 25.00 C ATOM 1048 O GLY A 67 7.693 3.596 -29.732 1.00 25.00 O ATOM 0 H GLY A 67 9.209 0.544 -32.057 1.00 25.00 H new ATOM 0 HA2 GLY A 67 7.947 1.104 -29.528 1.00 25.00 H new ATOM 0 HA3 GLY A 67 9.654 1.160 -29.920 1.00 25.00 H new ATOM 1052 N MET A 68 9.618 3.631 -30.862 1.00 25.00 N ATOM 1053 CA MET A 68 9.684 5.093 -30.954 1.00 25.00 C ATOM 1054 C MET A 68 10.611 5.431 -32.124 1.00 25.00 C ATOM 1055 O MET A 68 11.373 4.566 -32.566 1.00 25.00 O ATOM 1056 CB MET A 68 10.212 5.706 -29.639 1.00 25.00 C ATOM 1057 CG MET A 68 11.646 5.315 -29.272 1.00 25.00 C ATOM 1058 SD MET A 68 12.845 6.524 -29.880 1.00 25.00 S ATOM 1059 CE MET A 68 14.391 5.733 -29.435 1.00 25.00 C ATOM 0 H MET A 68 10.406 3.152 -31.298 1.00 25.00 H new ATOM 0 HA MET A 68 8.691 5.510 -31.119 1.00 25.00 H new ATOM 0 HB2 MET A 68 10.155 6.792 -29.714 1.00 25.00 H new ATOM 0 HB3 MET A 68 9.551 5.408 -28.826 1.00 25.00 H new ATOM 0 HG2 MET A 68 11.734 5.228 -28.189 1.00 25.00 H new ATOM 0 HG3 MET A 68 11.874 4.334 -29.690 1.00 25.00 H new ATOM 0 HE1 MET A 68 15.225 6.362 -29.747 1.00 25.00 H new ATOM 0 HE2 MET A 68 14.429 5.590 -28.355 1.00 25.00 H new ATOM 0 HE3 MET A 68 14.461 4.765 -29.932 1.00 25.00 H new ATOM 1069 N TYR A 69 10.523 6.656 -32.627 1.00 25.00 N ATOM 1070 CA TYR A 69 11.352 7.098 -33.747 1.00 25.00 C ATOM 1071 C TYR A 69 11.372 8.626 -33.786 1.00 25.00 C ATOM 1072 O TYR A 69 10.533 9.264 -33.146 1.00 25.00 O ATOM 1073 CB TYR A 69 10.800 6.552 -35.062 1.00 25.00 C ATOM 1074 CG TYR A 69 11.886 6.142 -36.027 1.00 25.00 C ATOM 1075 CD1 TYR A 69 12.257 6.977 -37.096 1.00 25.00 C ATOM 1076 CD2 TYR A 69 12.555 4.909 -35.878 1.00 25.00 C ATOM 1077 CE1 TYR A 69 13.287 6.598 -37.989 1.00 25.00 C ATOM 1078 CE2 TYR A 69 13.590 4.524 -36.772 1.00 25.00 C ATOM 1079 CZ TYR A 69 13.953 5.378 -37.820 1.00 25.00 C ATOM 1080 OH TYR A 69 14.958 5.021 -38.687 1.00 25.00 O ATOM 0 H TYR A 69 9.882 7.367 -32.276 1.00 25.00 H new ATOM 0 HA TYR A 69 12.366 6.722 -33.614 1.00 25.00 H new ATOM 0 HB2 TYR A 69 10.162 5.693 -34.854 1.00 25.00 H new ATOM 0 HB3 TYR A 69 10.172 7.310 -35.530 1.00 25.00 H new ATOM 0 HD1 TYR A 69 11.749 7.920 -37.237 1.00 25.00 H new ATOM 0 HD2 TYR A 69 12.276 4.247 -35.071 1.00 25.00 H new ATOM 0 HE1 TYR A 69 13.560 7.252 -38.804 1.00 25.00 H new ATOM 0 HE2 TYR A 69 14.094 3.577 -36.644 1.00 25.00 H new ATOM 0 HH TYR A 69 15.317 4.146 -38.430 1.00 25.00 H new ATOM 1090 N ASP A 70 12.313 9.195 -34.528 1.00 25.00 N ATOM 1091 CA ASP A 70 12.507 10.650 -34.609 1.00 25.00 C ATOM 1092 C ASP A 70 12.724 11.105 -36.068 1.00 25.00 C ATOM 1093 O ASP A 70 12.593 10.309 -36.998 1.00 25.00 O ATOM 1094 CB ASP A 70 13.720 11.057 -33.762 1.00 25.00 C ATOM 1095 CG ASP A 70 15.037 10.648 -34.402 1.00 25.00 C ATOM 1096 OD1 ASP A 70 15.179 9.480 -34.825 1.00 25.00 O ATOM 1097 OD2 ASP A 70 15.907 11.526 -34.548 1.00 25.00 O ATOM 0 H ASP A 70 12.971 8.663 -35.097 1.00 25.00 H new ATOM 0 HA ASP A 70 11.607 11.134 -34.228 1.00 25.00 H new ATOM 0 HB2 ASP A 70 13.711 12.137 -33.614 1.00 25.00 H new ATOM 0 HB3 ASP A 70 13.641 10.600 -32.776 1.00 25.00 H new ATOM 1102 N LYS A 71 13.031 12.385 -36.263 1.00 25.00 N ATOM 1103 CA LYS A 71 13.249 12.938 -37.607 1.00 25.00 C ATOM 1104 C LYS A 71 14.698 13.383 -37.765 1.00 25.00 C ATOM 1105 O LYS A 71 15.281 13.952 -36.859 1.00 25.00 O ATOM 1106 CB LYS A 71 12.335 14.141 -37.865 1.00 25.00 C ATOM 1107 CG LYS A 71 10.852 13.793 -37.942 1.00 25.00 C ATOM 1108 CD LYS A 71 10.058 14.967 -38.517 1.00 25.00 C ATOM 1109 CE LYS A 71 8.568 14.662 -38.592 1.00 25.00 C ATOM 1110 NZ LYS A 71 7.937 14.605 -37.231 1.00 25.00 N ATOM 0 H LYS A 71 13.136 13.064 -35.509 1.00 25.00 H new ATOM 0 HA LYS A 71 13.018 12.153 -38.327 1.00 25.00 H new ATOM 0 HB2 LYS A 71 12.484 14.873 -37.072 1.00 25.00 H new ATOM 0 HB3 LYS A 71 12.634 14.617 -38.799 1.00 25.00 H new ATOM 0 HG2 LYS A 71 10.711 12.910 -38.566 1.00 25.00 H new ATOM 0 HG3 LYS A 71 10.478 13.545 -36.949 1.00 25.00 H new ATOM 0 HD2 LYS A 71 10.217 15.850 -37.899 1.00 25.00 H new ATOM 0 HD3 LYS A 71 10.431 15.204 -39.513 1.00 25.00 H new ATOM 0 HE2 LYS A 71 8.071 15.426 -39.190 1.00 25.00 H new ATOM 0 HE3 LYS A 71 8.418 13.710 -39.102 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 6.914 14.446 -37.329 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 8.358 13.826 -36.685 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 8.101 15.504 -36.734 1.00 25.00 H new ATOM 1124 N LYS A 72 15.248 13.144 -38.945 1.00 25.00 N ATOM 1125 CA LYS A 72 16.628 13.532 -39.252 1.00 25.00 C ATOM 1126 C LYS A 72 16.692 15.056 -39.393 1.00 25.00 C ATOM 1127 O LYS A 72 15.743 15.660 -39.893 1.00 25.00 O ATOM 1128 CB LYS A 72 17.092 12.885 -40.567 1.00 25.00 C ATOM 1129 CG LYS A 72 17.500 11.409 -40.463 1.00 25.00 C ATOM 1130 CD LYS A 72 16.318 10.446 -40.395 1.00 25.00 C ATOM 1131 CE LYS A 72 16.803 9.003 -40.307 1.00 25.00 C ATOM 1132 NZ LYS A 72 15.650 8.035 -40.188 1.00 25.00 N ATOM 0 H LYS A 72 14.762 12.681 -39.713 1.00 25.00 H new ATOM 0 HA LYS A 72 17.280 13.194 -38.447 1.00 25.00 H new ATOM 0 HB2 LYS A 72 16.289 12.972 -41.299 1.00 25.00 H new ATOM 0 HB3 LYS A 72 17.939 13.453 -40.953 1.00 25.00 H new ATOM 0 HG2 LYS A 72 18.118 11.151 -41.323 1.00 25.00 H new ATOM 0 HG3 LYS A 72 18.118 11.274 -39.575 1.00 25.00 H new ATOM 0 HD2 LYS A 72 15.701 10.681 -39.528 1.00 25.00 H new ATOM 0 HD3 LYS A 72 15.690 10.571 -41.277 1.00 25.00 H new ATOM 0 HE2 LYS A 72 17.391 8.762 -41.192 1.00 25.00 H new ATOM 0 HE3 LYS A 72 17.462 8.892 -39.446 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 15.957 7.193 -39.661 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 14.864 8.492 -39.684 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 15.334 7.753 -41.138 1.00 25.00 H new ATOM 1146 N PRO A 73 17.816 15.687 -38.996 1.00 25.00 N ATOM 1147 CA PRO A 73 17.904 17.150 -39.140 1.00 25.00 C ATOM 1148 C PRO A 73 18.095 17.626 -40.584 1.00 25.00 C ATOM 1149 O PRO A 73 17.815 18.776 -40.887 1.00 25.00 O ATOM 1150 CB PRO A 73 19.125 17.498 -38.283 1.00 25.00 C ATOM 1151 CG PRO A 73 19.994 16.296 -38.391 1.00 25.00 C ATOM 1152 CD PRO A 73 19.037 15.132 -38.376 1.00 25.00 C ATOM 0 HA PRO A 73 16.979 17.639 -38.834 1.00 25.00 H new ATOM 0 HB2 PRO A 73 19.630 18.390 -38.652 1.00 25.00 H new ATOM 0 HB3 PRO A 73 18.844 17.696 -37.249 1.00 25.00 H new ATOM 0 HG2 PRO A 73 20.582 16.313 -39.308 1.00 25.00 H new ATOM 0 HG3 PRO A 73 20.699 16.240 -37.561 1.00 25.00 H new ATOM 0 HD2 PRO A 73 19.425 14.285 -38.941 1.00 25.00 H new ATOM 0 HD3 PRO A 73 18.849 14.779 -37.362 1.00 25.00 H new ATOM 1160 N ALA A 74 18.560 16.731 -41.455 1.00 25.00 N ATOM 1161 CA ALA A 74 18.731 16.999 -42.898 1.00 25.00 C ATOM 1162 C ALA A 74 19.606 18.218 -43.255 1.00 25.00 C ATOM 1163 O ALA A 74 19.463 18.787 -44.328 1.00 25.00 O ATOM 1164 CB ALA A 74 17.344 17.119 -43.571 1.00 25.00 C ATOM 0 H ALA A 74 18.834 15.787 -41.184 1.00 25.00 H new ATOM 0 HA ALA A 74 19.286 16.144 -43.284 1.00 25.00 H new ATOM 0 HB1 ALA A 74 17.472 17.317 -44.635 1.00 25.00 H new ATOM 0 HB2 ALA A 74 16.793 16.188 -43.438 1.00 25.00 H new ATOM 0 HB3 ALA A 74 16.788 17.937 -43.114 1.00 25.00 H new ATOM 1170 N GLY A 75 20.520 18.597 -42.369 1.00 25.00 N ATOM 1171 CA GLY A 75 21.370 19.759 -42.606 1.00 25.00 C ATOM 1172 C GLY A 75 22.742 19.453 -43.189 1.00 25.00 C ATOM 1173 O GLY A 75 23.592 20.329 -43.249 1.00 25.00 O ATOM 0 H GLY A 75 20.691 18.120 -41.484 1.00 25.00 H new ATOM 0 HA2 GLY A 75 20.849 20.438 -43.282 1.00 25.00 H new ATOM 0 HA3 GLY A 75 21.504 20.289 -41.663 1.00 25.00 H new ATOM 1177 N GLU A 76 22.975 18.206 -43.574 1.00 25.00 N ATOM 1178 CA GLU A 76 24.299 17.778 -44.044 1.00 25.00 C ATOM 1179 C GLU A 76 24.253 17.230 -45.465 1.00 25.00 C ATOM 1180 O GLU A 76 24.507 16.054 -45.705 1.00 25.00 O ATOM 1181 CB GLU A 76 24.877 16.725 -43.092 1.00 25.00 C ATOM 1182 CG GLU A 76 25.067 17.230 -41.664 1.00 25.00 C ATOM 1183 CD GLU A 76 25.765 16.207 -40.776 1.00 25.00 C ATOM 1184 OE1 GLU A 76 25.329 15.033 -40.763 1.00 25.00 O ATOM 1185 OE2 GLU A 76 26.721 16.583 -40.066 1.00 25.00 O ATOM 0 H GLU A 76 22.270 17.469 -43.573 1.00 25.00 H new ATOM 0 HA GLU A 76 24.944 18.657 -44.054 1.00 25.00 H new ATOM 0 HB2 GLU A 76 24.215 15.859 -43.077 1.00 25.00 H new ATOM 0 HB3 GLU A 76 25.838 16.386 -43.479 1.00 25.00 H new ATOM 0 HG2 GLU A 76 25.650 18.151 -41.681 1.00 25.00 H new ATOM 0 HG3 GLU A 76 24.095 17.476 -41.236 1.00 25.00 H new ATOM 1192 N PHE A 77 23.921 18.088 -46.418 1.00 25.00 N ATOM 1193 CA PHE A 77 23.924 17.709 -47.830 1.00 25.00 C ATOM 1194 C PHE A 77 24.375 18.898 -48.665 1.00 25.00 C ATOM 1195 O PHE A 77 23.743 19.946 -48.652 1.00 25.00 O ATOM 1196 CB PHE A 77 22.528 17.253 -48.275 1.00 25.00 C ATOM 1197 CG PHE A 77 22.449 15.777 -48.572 1.00 25.00 C ATOM 1198 CD1 PHE A 77 22.001 14.878 -47.589 1.00 25.00 C ATOM 1199 CD2 PHE A 77 22.849 15.273 -49.831 1.00 25.00 C ATOM 1200 CE1 PHE A 77 21.934 13.489 -47.849 1.00 25.00 C ATOM 1201 CE2 PHE A 77 22.791 13.885 -50.108 1.00 25.00 C ATOM 1202 CZ PHE A 77 22.335 12.992 -49.118 1.00 25.00 C ATOM 0 H PHE A 77 23.645 19.054 -46.242 1.00 25.00 H new ATOM 0 HA PHE A 77 24.613 16.876 -47.972 1.00 25.00 H new ATOM 0 HB2 PHE A 77 21.807 17.499 -47.495 1.00 25.00 H new ATOM 0 HB3 PHE A 77 22.237 17.812 -49.165 1.00 25.00 H new ATOM 0 HD1 PHE A 77 21.704 15.253 -46.621 1.00 25.00 H new ATOM 0 HD2 PHE A 77 23.203 15.954 -50.591 1.00 25.00 H new ATOM 0 HE1 PHE A 77 21.580 12.810 -47.087 1.00 25.00 H new ATOM 0 HE2 PHE A 77 23.095 13.512 -51.075 1.00 25.00 H new ATOM 0 HZ PHE A 77 22.290 11.933 -49.323 1.00 25.00 H new ATOM 1212 N ILE A 78 25.486 18.739 -49.369 1.00 25.00 N ATOM 1213 CA ILE A 78 26.025 19.801 -50.211 1.00 25.00 C ATOM 1214 C ILE A 78 26.646 19.163 -51.452 1.00 25.00 C ATOM 1215 O ILE A 78 27.325 18.142 -51.368 1.00 25.00 O ATOM 1216 CB ILE A 78 27.079 20.670 -49.417 1.00 25.00 C ATOM 1217 CG1 ILE A 78 27.587 21.837 -50.296 1.00 25.00 C ATOM 1218 CG2 ILE A 78 28.263 19.802 -48.892 1.00 25.00 C ATOM 1219 CD1 ILE A 78 28.349 22.937 -49.530 1.00 25.00 C ATOM 0 H ILE A 78 26.036 17.880 -49.375 1.00 25.00 H new ATOM 0 HA ILE A 78 25.226 20.477 -50.514 1.00 25.00 H new ATOM 0 HB ILE A 78 26.579 21.089 -48.544 1.00 25.00 H new ATOM 0 HG12 ILE A 78 28.240 21.433 -51.070 1.00 25.00 H new ATOM 0 HG13 ILE A 78 26.735 22.290 -50.803 1.00 25.00 H new ATOM 0 HG21 ILE A 78 28.967 20.435 -48.351 1.00 25.00 H new ATOM 0 HG22 ILE A 78 27.880 19.031 -48.223 1.00 25.00 H new ATOM 0 HG23 ILE A 78 28.771 19.332 -49.734 1.00 25.00 H new ATOM 0 HD11 ILE A 78 28.667 23.712 -50.227 1.00 25.00 H new ATOM 0 HD12 ILE A 78 27.696 23.374 -48.775 1.00 25.00 H new ATOM 0 HD13 ILE A 78 29.224 22.504 -49.046 1.00 25.00 H new ATOM 1231 N VAL A 79 26.354 19.740 -52.611 1.00 25.00 N ATOM 1232 CA VAL A 79 26.878 19.246 -53.892 1.00 25.00 C ATOM 1233 C VAL A 79 27.672 20.352 -54.578 1.00 25.00 C ATOM 1234 O VAL A 79 28.034 20.249 -55.740 1.00 25.00 O ATOM 1235 CB VAL A 79 25.733 18.751 -54.829 1.00 25.00 C ATOM 1236 CG1 VAL A 79 25.013 17.556 -54.199 1.00 25.00 C ATOM 1237 CG2 VAL A 79 24.713 19.880 -55.114 1.00 25.00 C ATOM 0 H VAL A 79 25.752 20.559 -52.697 1.00 25.00 H new ATOM 0 HA VAL A 79 27.529 18.396 -53.688 1.00 25.00 H new ATOM 0 HB VAL A 79 26.184 18.448 -55.774 1.00 25.00 H new ATOM 0 HG11 VAL A 79 24.216 17.220 -54.863 1.00 25.00 H new ATOM 0 HG12 VAL A 79 25.723 16.744 -54.044 1.00 25.00 H new ATOM 0 HG13 VAL A 79 24.586 17.852 -53.241 1.00 25.00 H new ATOM 0 HG21 VAL A 79 23.928 19.504 -55.770 1.00 25.00 H new ATOM 0 HG22 VAL A 79 24.272 20.217 -54.176 1.00 25.00 H new ATOM 0 HG23 VAL A 79 25.220 20.715 -55.597 1.00 25.00 H new ATOM 1247 N THR A 80 27.934 21.415 -53.824 1.00 25.00 N ATOM 1248 CA THR A 80 28.659 22.601 -54.309 1.00 25.00 C ATOM 1249 C THR A 80 28.034 23.198 -55.585 1.00 25.00 C ATOM 1250 O THR A 80 28.696 23.464 -56.580 1.00 25.00 O ATOM 1251 CB THR A 80 30.161 22.273 -54.534 1.00 25.00 C ATOM 1252 OG1 THR A 80 30.577 21.292 -53.572 1.00 25.00 O ATOM 1253 CG2 THR A 80 31.029 23.506 -54.347 1.00 25.00 C ATOM 0 H THR A 80 27.649 21.485 -52.847 1.00 25.00 H new ATOM 0 HA THR A 80 28.576 23.361 -53.532 1.00 25.00 H new ATOM 0 HB THR A 80 30.276 21.904 -55.553 1.00 25.00 H new ATOM 0 HG1 THR A 80 31.524 21.079 -53.710 1.00 25.00 H new ATOM 0 HG21 THR A 80 32.074 23.244 -54.511 1.00 25.00 H new ATOM 0 HG22 THR A 80 30.731 24.273 -55.062 1.00 25.00 H new ATOM 0 HG23 THR A 80 30.906 23.887 -53.333 1.00 25.00 H new ATOM 1261 N ASP A 81 26.716 23.436 -55.528 1.00 25.00 N ATOM 1262 CA ASP A 81 25.975 24.086 -56.631 1.00 25.00 C ATOM 1263 C ASP A 81 26.104 25.621 -56.541 1.00 25.00 C ATOM 1264 O ASP A 81 26.312 26.209 -55.496 1.00 25.00 O ATOM 1265 CB ASP A 81 24.491 23.651 -56.633 1.00 25.00 C ATOM 1266 CG ASP A 81 23.787 24.068 -57.899 1.00 25.00 C ATOM 1267 OD1 ASP A 81 22.575 24.010 -57.926 1.00 25.00 O ATOM 1268 OD2 ASP A 81 24.451 24.435 -58.850 1.00 25.00 O ATOM 1269 OXT ASP A 81 26.007 26.229 -57.684 1.00 25.00 O ATOM 0 H ASP A 81 26.134 23.189 -54.728 1.00 25.00 H new ATOM 0 HA ASP A 81 26.416 23.764 -57.574 1.00 25.00 H new ATOM 0 HB2 ASP A 81 24.429 22.568 -56.523 1.00 25.00 H new ATOM 0 HB3 ASP A 81 23.983 24.088 -55.774 1.00 25.00 H new TER 1275 ASP A 81