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 7 ASN : amide:sc= 0.313 K(o=0.93,f=-5.6!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -160:sc= 0.618 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.00342 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl -173:sc= 0 (180deg=-0.0557) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 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= 0.0127 X(o=0.013,f=-0.0023) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.554 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 178:sc= -0.72 (180deg=-0.76) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 70:sc= 1.2 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 48 CYS SG : rot -140:sc= -0.665 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0.222 K(o=0.22,f=-1.3) USER MOD Single : A 54 GLN : amide:sc= 0.084 K(o=0.084,f=-5.3!) USER MOD Single : A 60 ASN : amide:sc= -0.016 K(o=-0.016,f=-1.6!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 170:sc= 0 (180deg=-0.0608) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0564 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.122 3.769 -8.161 1.00 25.00 N ATOM 2 CA GLY A 1 8.665 3.519 -9.524 1.00 25.00 C ATOM 3 C GLY A 1 9.312 4.719 -10.207 1.00 25.00 C ATOM 4 O GLY A 1 9.488 5.789 -9.658 1.00 25.00 O ATOM 0 H1 GLY A 1 8.588 3.136 -7.480 1.00 25.00 H new ATOM 0 H2 GLY A 1 8.300 4.758 -7.892 1.00 25.00 H new ATOM 0 H3 GLY A 1 7.098 3.588 -8.157 1.00 25.00 H new ATOM 0 HA2 GLY A 1 9.402 2.719 -9.460 1.00 25.00 H new ATOM 0 HA3 GLY A 1 7.855 3.157 -10.157 1.00 25.00 H new ATOM 9 N SER A 2 9.726 4.511 -11.461 1.00 25.00 N ATOM 10 CA SER A 2 10.392 5.557 -12.224 1.00 25.00 C ATOM 11 C SER A 2 9.398 6.578 -12.771 1.00 25.00 C ATOM 12 O SER A 2 8.231 6.274 -12.972 1.00 25.00 O ATOM 13 CB SER A 2 11.173 4.934 -13.377 1.00 25.00 C ATOM 14 OG SER A 2 12.158 4.050 -12.875 1.00 25.00 O ATOM 0 H SER A 2 9.610 3.630 -11.962 1.00 25.00 H new ATOM 0 HA SER A 2 11.072 6.079 -11.551 1.00 25.00 H new ATOM 0 HB2 SER A 2 10.494 4.396 -14.038 1.00 25.00 H new ATOM 0 HB3 SER A 2 11.644 5.716 -13.972 1.00 25.00 H new ATOM 0 HG SER A 2 12.653 3.654 -13.622 1.00 25.00 H new ATOM 20 N MET A 3 9.894 7.772 -13.068 1.00 25.00 N ATOM 21 CA MET A 3 9.068 8.852 -13.627 1.00 25.00 C ATOM 22 C MET A 3 8.597 8.564 -15.058 1.00 25.00 C ATOM 23 O MET A 3 7.826 9.331 -15.635 1.00 25.00 O ATOM 24 CB MET A 3 9.871 10.160 -13.624 1.00 25.00 C ATOM 25 CG MET A 3 11.037 10.175 -14.621 1.00 25.00 C ATOM 26 SD MET A 3 12.048 11.665 -14.495 1.00 25.00 S ATOM 27 CE MET A 3 10.934 12.944 -15.119 1.00 25.00 C ATOM 0 H MET A 3 10.873 8.025 -12.932 1.00 25.00 H new ATOM 0 HA MET A 3 8.181 8.932 -12.999 1.00 25.00 H new ATOM 0 HB2 MET A 3 9.200 10.988 -13.852 1.00 25.00 H new ATOM 0 HB3 MET A 3 10.261 10.333 -12.621 1.00 25.00 H new ATOM 0 HG2 MET A 3 11.665 9.300 -14.451 1.00 25.00 H new ATOM 0 HG3 MET A 3 10.643 10.093 -15.634 1.00 25.00 H new ATOM 0 HE1 MET A 3 11.476 13.885 -15.210 1.00 25.00 H new ATOM 0 HE2 MET A 3 10.552 12.649 -16.096 1.00 25.00 H new ATOM 0 HE3 MET A 3 10.101 13.070 -14.427 1.00 25.00 H new ATOM 37 N LYS A 4 9.089 7.479 -15.640 1.00 25.00 N ATOM 38 CA LYS A 4 8.752 7.112 -17.009 1.00 25.00 C ATOM 39 C LYS A 4 8.977 5.617 -17.166 1.00 25.00 C ATOM 40 O LYS A 4 9.868 5.064 -16.534 1.00 25.00 O ATOM 41 CB LYS A 4 9.653 7.890 -17.971 1.00 25.00 C ATOM 42 CG LYS A 4 9.157 7.928 -19.402 1.00 25.00 C ATOM 43 CD LYS A 4 10.073 8.811 -20.243 1.00 25.00 C ATOM 44 CE LYS A 4 9.540 8.962 -21.661 1.00 25.00 C ATOM 45 NZ LYS A 4 10.429 9.861 -22.478 1.00 25.00 N ATOM 0 H LYS A 4 9.729 6.832 -15.180 1.00 25.00 H new ATOM 0 HA LYS A 4 7.712 7.352 -17.232 1.00 25.00 H new ATOM 0 HB2 LYS A 4 9.755 8.913 -17.607 1.00 25.00 H new ATOM 0 HB3 LYS A 4 10.648 7.446 -17.956 1.00 25.00 H new ATOM 0 HG2 LYS A 4 9.130 6.919 -19.814 1.00 25.00 H new ATOM 0 HG3 LYS A 4 8.137 8.312 -19.433 1.00 25.00 H new ATOM 0 HD2 LYS A 4 10.163 9.793 -19.779 1.00 25.00 H new ATOM 0 HD3 LYS A 4 11.073 8.379 -20.271 1.00 25.00 H new ATOM 0 HE2 LYS A 4 9.473 7.983 -22.135 1.00 25.00 H new ATOM 0 HE3 LYS A 4 8.530 9.372 -21.632 1.00 25.00 H new ATOM 0 HZ1 LYS A 4 10.044 9.948 -23.440 1.00 25.00 H new ATOM 0 HZ2 LYS A 4 10.472 10.801 -22.036 1.00 25.00 H new ATOM 0 HZ3 LYS A 4 11.386 9.456 -22.523 1.00 25.00 H new ATOM 59 N TYR A 5 8.193 4.985 -18.031 1.00 25.00 N ATOM 60 CA TYR A 5 8.355 3.565 -18.362 1.00 25.00 C ATOM 61 C TYR A 5 8.712 3.474 -19.834 1.00 25.00 C ATOM 62 O TYR A 5 8.585 4.466 -20.544 1.00 25.00 O ATOM 63 CB TYR A 5 7.064 2.797 -18.091 1.00 25.00 C ATOM 64 CG TYR A 5 6.955 2.321 -16.666 1.00 25.00 C ATOM 65 CD1 TYR A 5 6.185 3.021 -15.717 1.00 25.00 C ATOM 66 CD2 TYR A 5 7.625 1.145 -16.258 1.00 25.00 C ATOM 67 CE1 TYR A 5 6.085 2.553 -14.376 1.00 25.00 C ATOM 68 CE2 TYR A 5 7.520 0.669 -14.933 1.00 25.00 C ATOM 69 CZ TYR A 5 6.750 1.377 -13.998 1.00 25.00 C ATOM 70 OH TYR A 5 6.647 0.935 -12.708 1.00 25.00 O ATOM 0 H TYR A 5 7.425 5.438 -18.526 1.00 25.00 H new ATOM 0 HA TYR A 5 9.139 3.125 -17.746 1.00 25.00 H new ATOM 0 HB2 TYR A 5 6.212 3.436 -18.322 1.00 25.00 H new ATOM 0 HB3 TYR A 5 7.010 1.939 -18.761 1.00 25.00 H new ATOM 0 HD1 TYR A 5 5.665 3.922 -16.009 1.00 25.00 H new ATOM 0 HD2 TYR A 5 8.227 0.602 -16.971 1.00 25.00 H new ATOM 0 HE1 TYR A 5 5.500 3.101 -13.653 1.00 25.00 H new ATOM 0 HE2 TYR A 5 8.030 -0.237 -14.640 1.00 25.00 H new ATOM 0 HH TYR A 5 7.163 0.108 -12.603 1.00 25.00 H new ATOM 80 N LEU A 6 9.132 2.302 -20.304 1.00 25.00 N ATOM 81 CA LEU A 6 9.492 2.128 -21.717 1.00 25.00 C ATOM 82 C LEU A 6 8.302 2.426 -22.624 1.00 25.00 C ATOM 83 O LEU A 6 8.467 3.072 -23.658 1.00 25.00 O ATOM 84 CB LEU A 6 9.977 0.702 -21.984 1.00 25.00 C ATOM 85 CG LEU A 6 11.312 0.291 -21.351 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.524 -1.198 -21.569 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.488 1.073 -21.940 1.00 25.00 C ATOM 0 H LEU A 6 9.233 1.461 -19.735 1.00 25.00 H new ATOM 0 HA LEU A 6 10.296 2.830 -21.936 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.209 0.012 -21.634 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.058 0.568 -23.063 1.00 25.00 H new ATOM 0 HG LEU A 6 11.270 0.518 -20.286 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.471 -1.500 -21.122 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.710 -1.753 -21.103 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.543 -1.410 -22.638 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.414 0.751 -21.464 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.548 0.887 -23.012 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.341 2.139 -21.764 1.00 25.00 H new ATOM 99 N ASN A 7 7.115 1.983 -22.215 1.00 25.00 N ATOM 100 CA ASN A 7 5.869 2.233 -22.966 1.00 25.00 C ATOM 101 C ASN A 7 5.966 1.741 -24.420 1.00 25.00 C ATOM 102 O ASN A 7 5.492 2.396 -25.348 1.00 25.00 O ATOM 103 CB ASN A 7 5.508 3.736 -22.911 1.00 25.00 C ATOM 104 CG ASN A 7 4.115 4.033 -23.430 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.128 3.439 -23.011 1.00 25.00 O ATOM 106 ND2 ASN A 7 4.027 4.974 -24.326 1.00 25.00 N ATOM 0 H ASN A 7 6.981 1.443 -21.360 1.00 25.00 H new ATOM 0 HA ASN A 7 5.071 1.662 -22.491 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.588 4.085 -21.881 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.235 4.300 -23.496 1.00 25.00 H new ATOM 0 HD21 ASN A 7 3.116 5.237 -24.701 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.869 5.448 -24.652 1.00 25.00 H new ATOM 113 N VAL A 8 6.549 0.565 -24.600 1.00 25.00 N ATOM 114 CA VAL A 8 6.657 -0.064 -25.905 1.00 25.00 C ATOM 115 C VAL A 8 5.860 -1.355 -25.815 1.00 25.00 C ATOM 116 O VAL A 8 5.394 -1.705 -24.738 1.00 25.00 O ATOM 117 CB VAL A 8 8.140 -0.367 -26.284 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.926 0.947 -26.431 1.00 25.00 C ATOM 119 CG2 VAL A 8 8.814 -1.277 -25.249 1.00 25.00 C ATOM 0 H VAL A 8 6.961 0.020 -23.843 1.00 25.00 H new ATOM 0 HA VAL A 8 6.275 0.599 -26.681 1.00 25.00 H new ATOM 0 HB VAL A 8 8.140 -0.895 -27.238 1.00 25.00 H new ATOM 0 HG11 VAL A 8 9.960 0.725 -26.696 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.474 1.556 -27.214 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.902 1.493 -25.488 1.00 25.00 H new ATOM 0 HG21 VAL A 8 9.845 -1.466 -25.547 1.00 25.00 H new ATOM 0 HG22 VAL A 8 8.801 -0.790 -24.274 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.275 -2.222 -25.190 1.00 25.00 H new ATOM 129 N LEU A 9 5.677 -2.052 -26.920 1.00 25.00 N ATOM 130 CA LEU A 9 4.873 -3.272 -26.923 1.00 25.00 C ATOM 131 C LEU A 9 5.521 -4.347 -27.776 1.00 25.00 C ATOM 132 O LEU A 9 6.423 -4.078 -28.575 1.00 25.00 O ATOM 133 CB LEU A 9 3.461 -2.975 -27.432 1.00 25.00 C ATOM 134 CG LEU A 9 3.379 -2.106 -28.694 1.00 25.00 C ATOM 135 CD1 LEU A 9 2.414 -2.685 -29.709 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.947 -0.691 -28.305 1.00 25.00 C ATOM 0 H LEU A 9 6.070 -1.801 -27.827 1.00 25.00 H new ATOM 0 HA LEU A 9 4.811 -3.640 -25.899 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.960 -3.922 -27.632 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.904 -2.481 -26.636 1.00 25.00 H new ATOM 0 HG LEU A 9 4.365 -2.079 -29.158 1.00 25.00 H new ATOM 0 HD11 LEU A 9 2.383 -2.042 -30.589 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.746 -3.682 -29.999 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.418 -2.748 -29.270 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.887 -0.070 -29.199 1.00 25.00 H new ATOM 0 HD22 LEU A 9 1.970 -0.728 -27.823 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.675 -0.265 -27.615 1.00 25.00 H new ATOM 148 N ALA A 10 5.079 -5.576 -27.559 1.00 25.00 N ATOM 149 CA ALA A 10 5.600 -6.730 -28.264 1.00 25.00 C ATOM 150 C ALA A 10 4.487 -7.745 -28.521 1.00 25.00 C ATOM 151 O ALA A 10 3.549 -7.864 -27.736 1.00 25.00 O ATOM 152 CB ALA A 10 6.718 -7.363 -27.450 1.00 25.00 C ATOM 0 H ALA A 10 4.346 -5.799 -26.886 1.00 25.00 H new ATOM 0 HA ALA A 10 5.998 -6.409 -29.227 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.109 -8.231 -27.982 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.518 -6.637 -27.304 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.330 -7.676 -26.481 1.00 25.00 H new ATOM 158 N LYS A 11 4.627 -8.485 -29.609 1.00 25.00 N ATOM 159 CA LYS A 11 3.693 -9.554 -29.957 1.00 25.00 C ATOM 160 C LYS A 11 4.298 -10.881 -29.537 1.00 25.00 C ATOM 161 O LYS A 11 5.475 -11.123 -29.784 1.00 25.00 O ATOM 162 CB LYS A 11 3.455 -9.560 -31.472 1.00 25.00 C ATOM 163 CG LYS A 11 2.429 -10.606 -31.933 1.00 25.00 C ATOM 164 CD LYS A 11 2.041 -10.444 -33.393 1.00 25.00 C ATOM 165 CE LYS A 11 3.146 -10.917 -34.329 1.00 25.00 C ATOM 166 NZ LYS A 11 2.712 -10.771 -35.758 1.00 25.00 N ATOM 0 H LYS A 11 5.388 -8.365 -30.277 1.00 25.00 H new ATOM 0 HA LYS A 11 2.742 -9.396 -29.447 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.116 -8.571 -31.781 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.402 -9.745 -31.979 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.840 -11.604 -31.779 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.535 -10.530 -31.313 1.00 25.00 H new ATOM 0 HD2 LYS A 11 1.130 -11.009 -33.592 1.00 25.00 H new ATOM 0 HD3 LYS A 11 1.817 -9.397 -33.595 1.00 25.00 H new ATOM 0 HE2 LYS A 11 4.053 -10.337 -34.156 1.00 25.00 H new ATOM 0 HE3 LYS A 11 3.389 -11.959 -34.120 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 3.473 -11.097 -36.387 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 1.859 -11.343 -35.922 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.502 -9.772 -35.957 1.00 25.00 H new ATOM 180 N ALA A 12 3.502 -11.747 -28.942 1.00 25.00 N ATOM 181 CA ALA A 12 3.978 -13.060 -28.554 1.00 25.00 C ATOM 182 C ALA A 12 4.171 -13.936 -29.797 1.00 25.00 C ATOM 183 O ALA A 12 3.327 -13.958 -30.695 1.00 25.00 O ATOM 184 CB ALA A 12 2.996 -13.704 -27.599 1.00 25.00 C ATOM 0 H ALA A 12 2.524 -11.566 -28.717 1.00 25.00 H new ATOM 0 HA ALA A 12 4.938 -12.957 -28.049 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.361 -14.690 -27.312 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.893 -13.083 -26.710 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.026 -13.804 -28.087 1.00 25.00 H new ATOM 190 N LEU A 13 5.279 -14.651 -29.827 1.00 25.00 N ATOM 191 CA LEU A 13 5.598 -15.567 -30.931 1.00 25.00 C ATOM 192 C LEU A 13 5.248 -16.995 -30.551 1.00 25.00 C ATOM 193 O LEU A 13 4.971 -17.835 -31.403 1.00 25.00 O ATOM 194 CB LEU A 13 7.094 -15.496 -31.250 1.00 25.00 C ATOM 195 CG LEU A 13 7.615 -14.154 -31.779 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.147 -14.166 -31.791 1.00 25.00 C ATOM 197 CD2 LEU A 13 7.073 -13.895 -33.196 1.00 25.00 C ATOM 0 H LEU A 13 5.988 -14.621 -29.095 1.00 25.00 H new ATOM 0 HA LEU A 13 5.016 -15.269 -31.803 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.649 -15.745 -30.345 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.323 -16.266 -31.987 1.00 25.00 H new ATOM 0 HG LEU A 13 7.270 -13.353 -31.125 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.515 -13.212 -32.167 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.518 -14.324 -30.778 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.500 -14.971 -32.436 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.450 -12.939 -33.561 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.401 -14.693 -33.862 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.984 -13.869 -33.170 1.00 25.00 H new ATOM 209 N TYR A 14 5.238 -17.250 -29.253 1.00 25.00 N ATOM 210 CA TYR A 14 4.921 -18.567 -28.702 1.00 25.00 C ATOM 211 C TYR A 14 3.763 -18.347 -27.746 1.00 25.00 C ATOM 212 O TYR A 14 3.565 -17.227 -27.287 1.00 25.00 O ATOM 213 CB TYR A 14 6.129 -19.139 -27.950 1.00 25.00 C ATOM 214 CG TYR A 14 7.380 -19.286 -28.803 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.236 -18.185 -29.031 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.722 -20.529 -29.381 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.417 -18.322 -29.812 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.901 -20.667 -30.167 1.00 25.00 C ATOM 219 CZ TYR A 14 9.734 -19.558 -30.370 1.00 25.00 C ATOM 220 OH TYR A 14 10.877 -19.680 -31.122 1.00 25.00 O ATOM 0 H TYR A 14 5.450 -16.548 -28.544 1.00 25.00 H new ATOM 0 HA TYR A 14 4.666 -19.278 -29.488 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.355 -18.493 -27.102 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.862 -20.115 -27.545 1.00 25.00 H new ATOM 0 HD1 TYR A 14 7.989 -17.224 -28.605 1.00 25.00 H new ATOM 0 HD2 TYR A 14 7.082 -21.384 -29.225 1.00 25.00 H new ATOM 0 HE1 TYR A 14 10.064 -17.472 -29.971 1.00 25.00 H new ATOM 0 HE2 TYR A 14 9.152 -21.622 -30.605 1.00 25.00 H new ATOM 0 HH TYR A 14 10.961 -20.603 -31.442 1.00 25.00 H new ATOM 230 N ASP A 15 3.000 -19.386 -27.447 1.00 25.00 N ATOM 231 CA ASP A 15 1.926 -19.286 -26.460 1.00 25.00 C ATOM 232 C ASP A 15 2.383 -19.930 -25.161 1.00 25.00 C ATOM 233 O ASP A 15 3.151 -20.885 -25.181 1.00 25.00 O ATOM 234 CB ASP A 15 0.627 -19.924 -26.974 1.00 25.00 C ATOM 235 CG ASP A 15 0.798 -21.356 -27.410 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.494 -21.601 -28.431 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.041 -22.202 -26.889 1.00 25.00 O ATOM 0 H ASP A 15 3.101 -20.309 -27.870 1.00 25.00 H new ATOM 0 HA ASP A 15 1.706 -18.234 -26.280 1.00 25.00 H new ATOM 0 HB2 ASP A 15 -0.128 -19.878 -26.189 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.250 -19.339 -27.813 1.00 25.00 H new ATOM 242 N ASN A 16 1.961 -19.358 -24.038 1.00 25.00 N ATOM 243 CA ASN A 16 2.397 -19.806 -22.712 1.00 25.00 C ATOM 244 C ASN A 16 1.297 -19.577 -21.686 1.00 25.00 C ATOM 245 O ASN A 16 0.854 -18.446 -21.485 1.00 25.00 O ATOM 246 CB ASN A 16 3.630 -19.008 -22.293 1.00 25.00 C ATOM 247 CG ASN A 16 4.347 -19.623 -21.136 1.00 25.00 C ATOM 248 OD1 ASN A 16 4.817 -20.745 -21.221 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.475 -18.886 -20.069 1.00 25.00 N ATOM 0 H ASN A 16 1.310 -18.573 -24.017 1.00 25.00 H new ATOM 0 HA ASN A 16 2.629 -20.870 -22.760 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.313 -18.931 -23.139 1.00 25.00 H new ATOM 0 HB3 ASN A 16 3.330 -17.993 -22.032 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.985 -19.243 -19.261 1.00 25.00 H new ATOM 0 HD22 ASN A 16 4.065 -17.952 -20.042 1.00 25.00 H new ATOM 256 N VAL A 17 0.868 -20.633 -21.019 1.00 25.00 N ATOM 257 CA VAL A 17 -0.123 -20.495 -19.950 1.00 25.00 C ATOM 258 C VAL A 17 0.696 -20.430 -18.672 1.00 25.00 C ATOM 259 O VAL A 17 1.606 -21.225 -18.490 1.00 25.00 O ATOM 260 CB VAL A 17 -1.112 -21.693 -19.893 1.00 25.00 C ATOM 261 CG1 VAL A 17 -2.444 -21.252 -19.280 1.00 25.00 C ATOM 262 CG2 VAL A 17 -1.357 -22.280 -21.310 1.00 25.00 C ATOM 0 H VAL A 17 1.182 -21.588 -21.190 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.744 -19.614 -20.108 1.00 25.00 H new ATOM 0 HB VAL A 17 -0.667 -22.468 -19.269 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -3.127 -22.100 -19.246 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -2.274 -20.882 -18.269 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -2.880 -20.459 -19.888 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -2.052 -23.117 -21.242 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.779 -21.509 -21.955 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -0.412 -22.627 -21.729 1.00 25.00 H new ATOM 272 N ALA A 18 0.429 -19.449 -17.823 1.00 25.00 N ATOM 273 CA ALA A 18 1.233 -19.261 -16.622 1.00 25.00 C ATOM 274 C ALA A 18 0.994 -20.382 -15.606 1.00 25.00 C ATOM 275 O ALA A 18 -0.097 -20.508 -15.046 1.00 25.00 O ATOM 276 CB ALA A 18 0.914 -17.916 -16.003 1.00 25.00 C ATOM 0 H ALA A 18 -0.329 -18.777 -17.940 1.00 25.00 H new ATOM 0 HA ALA A 18 2.285 -19.292 -16.906 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.516 -17.777 -15.105 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.139 -17.124 -16.717 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -0.143 -17.878 -15.741 1.00 25.00 H new ATOM 282 N GLU A 19 2.032 -21.166 -15.354 1.00 25.00 N ATOM 283 CA GLU A 19 1.979 -22.237 -14.354 1.00 25.00 C ATOM 284 C GLU A 19 2.396 -21.691 -12.987 1.00 25.00 C ATOM 285 O GLU A 19 2.189 -22.322 -11.956 1.00 25.00 O ATOM 286 CB GLU A 19 2.888 -23.397 -14.778 1.00 25.00 C ATOM 287 CG GLU A 19 4.384 -23.060 -14.822 1.00 25.00 C ATOM 288 CD GLU A 19 5.197 -24.205 -15.408 1.00 25.00 C ATOM 289 OE1 GLU A 19 4.977 -25.368 -14.996 1.00 25.00 O ATOM 290 OE2 GLU A 19 6.031 -23.954 -16.303 1.00 25.00 O ATOM 0 H GLU A 19 2.931 -21.084 -15.830 1.00 25.00 H new ATOM 0 HA GLU A 19 0.958 -22.612 -14.280 1.00 25.00 H new ATOM 0 HB2 GLU A 19 2.737 -24.228 -14.089 1.00 25.00 H new ATOM 0 HB3 GLU A 19 2.578 -23.741 -15.765 1.00 25.00 H new ATOM 0 HG2 GLU A 19 4.538 -22.161 -15.418 1.00 25.00 H new ATOM 0 HG3 GLU A 19 4.738 -22.839 -13.815 1.00 25.00 H new ATOM 297 N SER A 20 2.940 -20.481 -12.998 1.00 25.00 N ATOM 298 CA SER A 20 3.330 -19.773 -11.783 1.00 25.00 C ATOM 299 C SER A 20 2.587 -18.445 -11.778 1.00 25.00 C ATOM 300 O SER A 20 2.331 -17.893 -12.841 1.00 25.00 O ATOM 301 CB SER A 20 4.843 -19.548 -11.766 1.00 25.00 C ATOM 302 OG SER A 20 5.523 -20.784 -11.664 1.00 25.00 O ATOM 0 H SER A 20 3.125 -19.959 -13.855 1.00 25.00 H new ATOM 0 HA SER A 20 3.077 -20.353 -10.896 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.151 -19.030 -12.674 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.113 -18.907 -10.927 1.00 25.00 H new ATOM 0 HG SER A 20 6.490 -20.626 -11.656 1.00 25.00 H new ATOM 308 N PRO A 21 2.199 -17.929 -10.598 1.00 25.00 N ATOM 309 CA PRO A 21 1.383 -16.708 -10.630 1.00 25.00 C ATOM 310 C PRO A 21 2.128 -15.449 -11.067 1.00 25.00 C ATOM 311 O PRO A 21 1.507 -14.491 -11.524 1.00 25.00 O ATOM 312 CB PRO A 21 0.904 -16.585 -9.179 1.00 25.00 C ATOM 313 CG PRO A 21 1.990 -17.218 -8.383 1.00 25.00 C ATOM 314 CD PRO A 21 2.399 -18.413 -9.215 1.00 25.00 C ATOM 0 HA PRO A 21 0.588 -16.788 -11.372 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.757 -15.543 -8.895 1.00 25.00 H new ATOM 0 HB3 PRO A 21 -0.048 -17.094 -9.029 1.00 25.00 H new ATOM 0 HG2 PRO A 21 2.824 -16.533 -8.229 1.00 25.00 H new ATOM 0 HG3 PRO A 21 1.639 -17.519 -7.396 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.435 -18.699 -9.032 1.00 25.00 H new ATOM 0 HD3 PRO A 21 1.784 -19.287 -8.999 1.00 25.00 H new ATOM 322 N ASP A 22 3.446 -15.446 -10.916 1.00 25.00 N ATOM 323 CA ASP A 22 4.248 -14.273 -11.264 1.00 25.00 C ATOM 324 C ASP A 22 4.439 -14.183 -12.778 1.00 25.00 C ATOM 325 O ASP A 22 4.718 -13.121 -13.319 1.00 25.00 O ATOM 326 CB ASP A 22 5.618 -14.373 -10.596 1.00 25.00 C ATOM 327 CG ASP A 22 5.521 -14.395 -9.085 1.00 25.00 C ATOM 328 OD1 ASP A 22 6.094 -15.314 -8.468 1.00 25.00 O ATOM 329 OD2 ASP A 22 4.830 -13.529 -8.511 1.00 25.00 O ATOM 0 H ASP A 22 3.983 -16.236 -10.557 1.00 25.00 H new ATOM 0 HA ASP A 22 3.726 -13.382 -10.916 1.00 25.00 H new ATOM 0 HB2 ASP A 22 6.122 -15.277 -10.939 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.233 -13.528 -10.906 1.00 25.00 H new ATOM 334 N GLU A 23 4.260 -15.304 -13.457 1.00 25.00 N ATOM 335 CA GLU A 23 4.384 -15.366 -14.911 1.00 25.00 C ATOM 336 C GLU A 23 3.059 -14.920 -15.522 1.00 25.00 C ATOM 337 O GLU A 23 2.009 -15.063 -14.897 1.00 25.00 O ATOM 338 CB GLU A 23 4.722 -16.803 -15.342 1.00 25.00 C ATOM 339 CG GLU A 23 5.144 -16.929 -16.823 1.00 25.00 C ATOM 340 CD GLU A 23 6.507 -17.592 -17.024 1.00 25.00 C ATOM 341 OE1 GLU A 23 6.707 -18.214 -18.096 1.00 25.00 O ATOM 342 OE2 GLU A 23 7.395 -17.439 -16.164 1.00 25.00 O ATOM 0 H GLU A 23 4.025 -16.196 -13.021 1.00 25.00 H new ATOM 0 HA GLU A 23 5.185 -14.711 -15.255 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.527 -17.181 -14.712 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.854 -17.438 -15.166 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.389 -17.504 -17.358 1.00 25.00 H new ATOM 0 HG3 GLU A 23 5.165 -15.935 -17.271 1.00 25.00 H new ATOM 349 N LEU A 24 3.093 -14.372 -16.727 1.00 25.00 N ATOM 350 CA LEU A 24 1.867 -13.944 -17.397 1.00 25.00 C ATOM 351 C LEU A 24 1.370 -15.012 -18.368 1.00 25.00 C ATOM 352 O LEU A 24 2.147 -15.609 -19.095 1.00 25.00 O ATOM 353 CB LEU A 24 2.119 -12.648 -18.167 1.00 25.00 C ATOM 354 CG LEU A 24 1.271 -11.442 -17.735 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.753 -10.222 -18.499 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.232 -11.662 -17.986 1.00 25.00 C ATOM 0 H LEU A 24 3.948 -14.212 -17.261 1.00 25.00 H new ATOM 0 HA LEU A 24 1.106 -13.782 -16.633 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.172 -12.384 -18.064 1.00 25.00 H new ATOM 0 HB3 LEU A 24 1.939 -12.835 -19.226 1.00 25.00 H new ATOM 0 HG LEU A 24 1.392 -11.301 -16.661 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.163 -9.353 -18.207 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.803 -10.041 -18.270 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.639 -10.394 -19.569 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.787 -10.781 -17.664 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.403 -11.830 -19.049 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.572 -12.531 -17.423 1.00 25.00 H new ATOM 368 N SER A 25 0.062 -15.213 -18.407 1.00 25.00 N ATOM 369 CA SER A 25 -0.549 -16.095 -19.397 1.00 25.00 C ATOM 370 C SER A 25 -0.757 -15.271 -20.656 1.00 25.00 C ATOM 371 O SER A 25 -1.381 -14.208 -20.604 1.00 25.00 O ATOM 372 CB SER A 25 -1.908 -16.614 -18.920 1.00 25.00 C ATOM 373 OG SER A 25 -1.767 -17.438 -17.777 1.00 25.00 O ATOM 0 H SER A 25 -0.600 -14.778 -17.765 1.00 25.00 H new ATOM 0 HA SER A 25 0.097 -16.956 -19.568 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.561 -15.773 -18.687 1.00 25.00 H new ATOM 0 HB3 SER A 25 -2.387 -17.177 -19.721 1.00 25.00 H new ATOM 0 HG SER A 25 -2.649 -17.755 -17.491 1.00 25.00 H new ATOM 379 N PHE A 26 -0.255 -15.763 -21.774 1.00 25.00 N ATOM 380 CA PHE A 26 -0.411 -15.081 -23.057 1.00 25.00 C ATOM 381 C PHE A 26 -0.404 -16.123 -24.157 1.00 25.00 C ATOM 382 O PHE A 26 0.028 -17.252 -23.949 1.00 25.00 O ATOM 383 CB PHE A 26 0.738 -14.085 -23.274 1.00 25.00 C ATOM 384 CG PHE A 26 2.110 -14.709 -23.223 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.682 -15.305 -24.365 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.854 -14.692 -22.034 1.00 25.00 C ATOM 387 CE1 PHE A 26 3.982 -15.875 -24.318 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.134 -15.270 -21.969 1.00 25.00 C ATOM 389 CZ PHE A 26 4.703 -15.856 -23.117 1.00 25.00 C ATOM 0 H PHE A 26 0.268 -16.637 -21.825 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.350 -14.528 -23.069 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.607 -13.600 -24.241 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.677 -13.305 -22.515 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.124 -15.329 -25.289 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.436 -14.227 -21.153 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.412 -16.320 -25.203 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.682 -15.265 -21.038 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.691 -16.289 -23.071 1.00 25.00 H new ATOM 399 N ARG A 27 -0.853 -15.756 -25.350 1.00 25.00 N ATOM 400 CA ARG A 27 -0.798 -16.688 -26.477 1.00 25.00 C ATOM 401 C ARG A 27 -0.164 -16.018 -27.667 1.00 25.00 C ATOM 402 O ARG A 27 -0.183 -14.807 -27.787 1.00 25.00 O ATOM 403 CB ARG A 27 -2.184 -17.240 -26.828 1.00 25.00 C ATOM 404 CG ARG A 27 -2.825 -18.022 -25.681 1.00 25.00 C ATOM 405 CD ARG A 27 -3.719 -19.151 -26.184 1.00 25.00 C ATOM 406 NE ARG A 27 -2.961 -20.394 -26.457 1.00 25.00 N ATOM 407 CZ ARG A 27 -3.500 -21.561 -26.803 1.00 25.00 C ATOM 408 NH1 ARG A 27 -4.794 -21.710 -26.947 1.00 25.00 N ATOM 409 NH2 ARG A 27 -2.728 -22.591 -27.002 1.00 25.00 N ATOM 0 H ARG A 27 -1.251 -14.842 -25.564 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.184 -17.539 -26.183 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.838 -16.414 -27.107 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.100 -17.888 -27.700 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.043 -18.436 -25.044 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -3.413 -17.343 -25.064 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.492 -19.356 -25.443 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.226 -18.831 -27.094 1.00 25.00 H new ATOM 0 HE ARG A 27 -1.945 -20.352 -26.373 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -5.419 -20.919 -26.793 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -5.176 -22.617 -27.213 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -1.718 -22.500 -26.892 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -3.133 -23.489 -27.267 1.00 25.00 H new ATOM 423 N LYS A 28 0.427 -16.814 -28.544 1.00 25.00 N ATOM 424 CA LYS A 28 1.065 -16.280 -29.743 1.00 25.00 C ATOM 425 C LYS A 28 0.063 -15.475 -30.557 1.00 25.00 C ATOM 426 O LYS A 28 -1.088 -15.867 -30.722 1.00 25.00 O ATOM 427 CB LYS A 28 1.697 -17.404 -30.572 1.00 25.00 C ATOM 428 CG LYS A 28 0.755 -18.529 -30.989 1.00 25.00 C ATOM 429 CD LYS A 28 1.567 -19.672 -31.571 1.00 25.00 C ATOM 430 CE LYS A 28 0.673 -20.812 -32.023 1.00 25.00 C ATOM 431 NZ LYS A 28 1.503 -21.966 -32.505 1.00 25.00 N ATOM 0 H LYS A 28 0.480 -17.828 -28.451 1.00 25.00 H new ATOM 0 HA LYS A 28 1.870 -15.609 -29.444 1.00 25.00 H new ATOM 0 HB2 LYS A 28 2.132 -16.967 -31.471 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.517 -17.836 -29.999 1.00 25.00 H new ATOM 0 HG2 LYS A 28 0.181 -18.876 -30.130 1.00 25.00 H new ATOM 0 HG3 LYS A 28 0.038 -18.165 -31.725 1.00 25.00 H new ATOM 0 HD2 LYS A 28 2.153 -19.311 -32.416 1.00 25.00 H new ATOM 0 HD3 LYS A 28 2.273 -20.035 -30.825 1.00 25.00 H new ATOM 0 HE2 LYS A 28 0.036 -21.133 -31.198 1.00 25.00 H new ATOM 0 HE3 LYS A 28 0.013 -20.471 -32.821 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 0.878 -22.739 -32.811 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 2.092 -21.659 -33.305 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 2.114 -22.300 -31.733 1.00 25.00 H new ATOM 445 N GLY A 29 0.510 -14.312 -31.009 1.00 25.00 N ATOM 446 CA GLY A 29 -0.351 -13.381 -31.716 1.00 25.00 C ATOM 447 C GLY A 29 -0.850 -12.256 -30.828 1.00 25.00 C ATOM 448 O GLY A 29 -1.138 -11.171 -31.323 1.00 25.00 O ATOM 0 H GLY A 29 1.472 -13.991 -30.896 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.194 -12.958 -32.560 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.205 -13.921 -32.126 1.00 25.00 H new ATOM 452 N ASP A 30 -0.919 -12.499 -29.525 1.00 25.00 N ATOM 453 CA ASP A 30 -1.400 -11.497 -28.565 1.00 25.00 C ATOM 454 C ASP A 30 -0.357 -10.391 -28.383 1.00 25.00 C ATOM 455 O ASP A 30 0.839 -10.602 -28.641 1.00 25.00 O ATOM 456 CB ASP A 30 -1.685 -12.181 -27.224 1.00 25.00 C ATOM 457 CG ASP A 30 -2.657 -11.406 -26.358 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.038 -11.963 -25.309 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.090 -10.301 -26.745 1.00 25.00 O ATOM 0 H ASP A 30 -0.647 -13.386 -29.101 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.316 -11.044 -28.944 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -2.087 -13.177 -27.409 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.748 -12.310 -26.682 1.00 25.00 H new ATOM 464 N ILE A 31 -0.810 -9.220 -27.969 1.00 25.00 N ATOM 465 CA ILE A 31 0.035 -8.031 -27.834 1.00 25.00 C ATOM 466 C ILE A 31 0.079 -7.596 -26.374 1.00 25.00 C ATOM 467 O ILE A 31 -0.954 -7.411 -25.754 1.00 25.00 O ATOM 468 CB ILE A 31 -0.548 -6.834 -28.668 1.00 25.00 C ATOM 469 CG1 ILE A 31 -0.850 -7.252 -30.131 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.410 -5.613 -28.633 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.355 -7.681 -30.962 1.00 25.00 C ATOM 0 H ILE A 31 -1.784 -9.059 -27.713 1.00 25.00 H new ATOM 0 HA ILE A 31 1.031 -8.286 -28.197 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.491 -6.543 -28.205 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.566 -8.073 -30.114 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.336 -6.416 -30.635 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.017 -4.798 -29.218 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.546 -5.287 -27.602 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.375 -5.895 -29.055 1.00 25.00 H new ATOM 0 HD11 ILE A 31 0.027 -7.951 -31.966 1.00 25.00 H new ATOM 0 HD12 ILE A 31 1.067 -6.858 -31.022 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.833 -8.541 -30.493 1.00 25.00 H new ATOM 483 N MET A 32 1.273 -7.394 -25.838 1.00 25.00 N ATOM 484 CA MET A 32 1.420 -6.939 -24.456 1.00 25.00 C ATOM 485 C MET A 32 2.375 -5.764 -24.382 1.00 25.00 C ATOM 486 O MET A 32 3.294 -5.626 -25.194 1.00 25.00 O ATOM 487 CB MET A 32 1.910 -8.085 -23.570 1.00 25.00 C ATOM 488 CG MET A 32 3.229 -8.719 -24.025 1.00 25.00 C ATOM 489 SD MET A 32 3.243 -10.481 -23.678 1.00 25.00 S ATOM 490 CE MET A 32 2.159 -11.084 -24.999 1.00 25.00 C ATOM 0 H MET A 32 2.153 -7.536 -26.333 1.00 25.00 H new ATOM 0 HA MET A 32 0.446 -6.612 -24.093 1.00 25.00 H new ATOM 0 HB2 MET A 32 2.031 -7.714 -22.552 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.142 -8.858 -23.539 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.368 -8.553 -25.093 1.00 25.00 H new ATOM 0 HG3 MET A 32 4.064 -8.237 -23.516 1.00 25.00 H new ATOM 0 HE1 MET A 32 2.091 -12.171 -24.946 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.165 -10.652 -24.880 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.568 -10.793 -25.967 1.00 25.00 H new ATOM 500 N THR A 33 2.145 -4.894 -23.412 1.00 25.00 N ATOM 501 CA THR A 33 2.983 -3.707 -23.219 1.00 25.00 C ATOM 502 C THR A 33 4.189 -4.098 -22.382 1.00 25.00 C ATOM 503 O THR A 33 4.016 -4.669 -21.317 1.00 25.00 O ATOM 504 CB THR A 33 2.193 -2.582 -22.483 1.00 25.00 C ATOM 505 OG1 THR A 33 1.020 -2.266 -23.231 1.00 25.00 O ATOM 506 CG2 THR A 33 3.022 -1.296 -22.361 1.00 25.00 C ATOM 0 H THR A 33 1.383 -4.983 -22.740 1.00 25.00 H new ATOM 0 HA THR A 33 3.294 -3.329 -24.193 1.00 25.00 H new ATOM 0 HB THR A 33 1.949 -2.949 -21.486 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.519 -1.560 -22.771 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.439 -0.535 -21.843 1.00 25.00 H new ATOM 0 HG22 THR A 33 3.932 -1.502 -21.798 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.285 -0.937 -23.356 1.00 25.00 H new ATOM 514 N VAL A 34 5.386 -3.775 -22.848 1.00 25.00 N ATOM 515 CA VAL A 34 6.612 -4.049 -22.091 1.00 25.00 C ATOM 516 C VAL A 34 6.947 -2.785 -21.310 1.00 25.00 C ATOM 517 O VAL A 34 7.060 -1.688 -21.875 1.00 25.00 O ATOM 518 CB VAL A 34 7.792 -4.430 -23.024 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.094 -4.567 -22.222 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.504 -5.764 -23.743 1.00 25.00 C ATOM 0 H VAL A 34 5.541 -3.322 -23.748 1.00 25.00 H new ATOM 0 HA VAL A 34 6.453 -4.898 -21.426 1.00 25.00 H new ATOM 0 HB VAL A 34 7.903 -3.635 -23.762 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.909 -4.835 -22.894 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.322 -3.619 -21.734 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.976 -5.345 -21.467 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.342 -6.015 -24.393 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.368 -6.554 -23.004 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.598 -5.667 -24.341 1.00 25.00 H new ATOM 530 N LEU A 35 7.058 -2.935 -19.999 1.00 25.00 N ATOM 531 CA LEU A 35 7.311 -1.800 -19.112 1.00 25.00 C ATOM 532 C LEU A 35 8.797 -1.613 -18.844 1.00 25.00 C ATOM 533 O LEU A 35 9.297 -0.485 -18.842 1.00 25.00 O ATOM 534 CB LEU A 35 6.586 -2.013 -17.776 1.00 25.00 C ATOM 535 CG LEU A 35 5.052 -2.094 -17.820 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.521 -2.308 -16.415 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.429 -0.823 -18.416 1.00 25.00 C ATOM 0 H LEU A 35 6.977 -3.832 -19.521 1.00 25.00 H new ATOM 0 HA LEU A 35 6.937 -0.905 -19.609 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.961 -2.934 -17.330 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.863 -1.199 -17.107 1.00 25.00 H new ATOM 0 HG LEU A 35 4.777 -2.931 -18.462 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.433 -2.366 -16.442 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.924 -3.237 -16.011 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.824 -1.475 -15.781 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.344 -0.921 -18.429 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.708 0.038 -17.809 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.793 -0.682 -19.434 1.00 25.00 H new ATOM 549 N GLU A 36 9.480 -2.725 -18.607 1.00 25.00 N ATOM 550 CA GLU A 36 10.901 -2.730 -18.257 1.00 25.00 C ATOM 551 C GLU A 36 11.479 -4.096 -18.633 1.00 25.00 C ATOM 552 O GLU A 36 10.728 -5.004 -18.999 1.00 25.00 O ATOM 553 CB GLU A 36 11.080 -2.458 -16.757 1.00 25.00 C ATOM 554 CG GLU A 36 10.383 -3.462 -15.871 1.00 25.00 C ATOM 555 CD GLU A 36 10.481 -3.107 -14.407 1.00 25.00 C ATOM 556 OE1 GLU A 36 11.141 -3.853 -13.656 1.00 25.00 O ATOM 557 OE2 GLU A 36 9.885 -2.083 -14.000 1.00 25.00 O ATOM 0 H GLU A 36 9.065 -3.656 -18.651 1.00 25.00 H new ATOM 0 HA GLU A 36 11.427 -1.945 -18.800 1.00 25.00 H new ATOM 0 HB2 GLU A 36 12.144 -2.456 -16.522 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.701 -1.461 -16.530 1.00 25.00 H new ATOM 0 HG2 GLU A 36 9.333 -3.526 -16.156 1.00 25.00 H new ATOM 0 HG3 GLU A 36 10.818 -4.448 -16.032 1.00 25.00 H new ATOM 564 N ARG A 37 12.799 -4.240 -18.557 1.00 25.00 N ATOM 565 CA ARG A 37 13.486 -5.488 -18.929 1.00 25.00 C ATOM 566 C ARG A 37 14.493 -5.793 -17.833 1.00 25.00 C ATOM 567 O ARG A 37 14.885 -4.879 -17.135 1.00 25.00 O ATOM 568 CB ARG A 37 14.220 -5.326 -20.267 1.00 25.00 C ATOM 569 CG ARG A 37 13.354 -4.758 -21.398 1.00 25.00 C ATOM 570 CD ARG A 37 14.010 -4.968 -22.757 1.00 25.00 C ATOM 571 NE ARG A 37 15.426 -4.568 -22.754 1.00 25.00 N ATOM 572 CZ ARG A 37 16.297 -4.844 -23.713 1.00 25.00 C ATOM 573 NH1 ARG A 37 15.965 -5.506 -24.797 1.00 25.00 N ATOM 574 NH2 ARG A 37 17.534 -4.456 -23.580 1.00 25.00 N ATOM 0 H ARG A 37 13.427 -3.502 -18.238 1.00 25.00 H new ATOM 0 HA ARG A 37 12.762 -6.296 -19.039 1.00 25.00 H new ATOM 0 HB2 ARG A 37 15.079 -4.672 -20.120 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.608 -6.297 -20.575 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.376 -5.238 -21.386 1.00 25.00 H new ATOM 0 HG3 ARG A 37 13.188 -3.693 -21.232 1.00 25.00 H new ATOM 0 HD2 ARG A 37 13.931 -6.018 -23.039 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.473 -4.393 -23.511 1.00 25.00 H new ATOM 0 HE ARG A 37 15.763 -4.037 -21.951 1.00 25.00 H new ATOM 0 HH11 ARG A 37 15.006 -5.828 -24.924 1.00 25.00 H new ATOM 0 HH12 ARG A 37 16.666 -5.698 -25.512 1.00 25.00 H new ATOM 0 HH21 ARG A 37 17.822 -3.946 -22.745 1.00 25.00 H new ATOM 0 HH22 ARG A 37 18.215 -4.662 -24.311 1.00 25.00 H new ATOM 588 N ASP A 38 14.880 -7.058 -17.708 1.00 25.00 N ATOM 589 CA ASP A 38 15.799 -7.549 -16.661 1.00 25.00 C ATOM 590 C ASP A 38 15.155 -7.257 -15.302 1.00 25.00 C ATOM 591 O ASP A 38 15.784 -6.851 -14.332 1.00 25.00 O ATOM 592 CB ASP A 38 17.199 -6.929 -16.800 1.00 25.00 C ATOM 593 CG ASP A 38 18.261 -7.728 -16.073 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.904 -8.724 -15.411 1.00 25.00 O ATOM 595 OD2 ASP A 38 19.457 -7.389 -16.197 1.00 25.00 O ATOM 0 H ASP A 38 14.563 -7.794 -18.339 1.00 25.00 H new ATOM 0 HA ASP A 38 15.952 -8.623 -16.763 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.460 -6.861 -17.856 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.183 -5.912 -16.409 1.00 25.00 H new ATOM 600 N THR A 39 13.845 -7.440 -15.287 1.00 25.00 N ATOM 601 CA THR A 39 12.990 -7.055 -14.166 1.00 25.00 C ATOM 602 C THR A 39 13.171 -7.923 -12.915 1.00 25.00 C ATOM 603 O THR A 39 12.699 -7.583 -11.834 1.00 25.00 O ATOM 604 CB THR A 39 11.502 -7.120 -14.634 1.00 25.00 C ATOM 605 OG1 THR A 39 10.637 -6.577 -13.640 1.00 25.00 O ATOM 606 CG2 THR A 39 11.058 -8.561 -14.939 1.00 25.00 C ATOM 0 H THR A 39 13.335 -7.865 -16.061 1.00 25.00 H new ATOM 0 HA THR A 39 13.280 -6.045 -13.875 1.00 25.00 H new ATOM 0 HB THR A 39 11.436 -6.531 -15.549 1.00 25.00 H new ATOM 0 HG1 THR A 39 10.765 -5.607 -13.590 1.00 25.00 H new ATOM 0 HG21 THR A 39 10.017 -8.560 -15.261 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.683 -8.974 -15.731 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.160 -9.171 -14.041 1.00 25.00 H new ATOM 614 N GLN A 40 13.866 -9.044 -13.065 1.00 25.00 N ATOM 615 CA GLN A 40 14.069 -9.973 -11.950 1.00 25.00 C ATOM 616 C GLN A 40 15.543 -10.339 -11.776 1.00 25.00 C ATOM 617 O GLN A 40 15.869 -11.297 -11.085 1.00 25.00 O ATOM 618 CB GLN A 40 13.225 -11.234 -12.191 1.00 25.00 C ATOM 619 CG GLN A 40 12.685 -11.868 -10.906 1.00 25.00 C ATOM 620 CD GLN A 40 11.774 -13.045 -11.186 1.00 25.00 C ATOM 621 OE1 GLN A 40 12.127 -13.949 -11.922 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.596 -13.030 -10.620 1.00 25.00 N ATOM 0 H GLN A 40 14.298 -9.335 -13.942 1.00 25.00 H new ATOM 0 HA GLN A 40 13.752 -9.484 -11.029 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.387 -10.981 -12.841 1.00 25.00 H new ATOM 0 HB3 GLN A 40 13.830 -11.969 -12.722 1.00 25.00 H new ATOM 0 HG2 GLN A 40 13.520 -12.196 -10.287 1.00 25.00 H new ATOM 0 HG3 GLN A 40 12.140 -11.117 -10.334 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.334 -12.257 -10.009 1.00 25.00 H new ATOM 0 HE22 GLN A 40 9.939 -13.792 -10.789 1.00 25.00 H new ATOM 631 N GLY A 41 16.427 -9.589 -12.420 1.00 25.00 N ATOM 632 CA GLY A 41 17.848 -9.908 -12.375 1.00 25.00 C ATOM 633 C GLY A 41 18.153 -11.089 -13.278 1.00 25.00 C ATOM 634 O GLY A 41 19.174 -11.766 -13.131 1.00 25.00 O ATOM 0 H GLY A 41 16.190 -8.766 -12.973 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.432 -9.042 -12.688 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.143 -10.139 -11.351 1.00 25.00 H new ATOM 638 N LEU A 42 17.233 -11.347 -14.198 1.00 25.00 N ATOM 639 CA LEU A 42 17.363 -12.420 -15.169 1.00 25.00 C ATOM 640 C LEU A 42 17.347 -11.774 -16.546 1.00 25.00 C ATOM 641 O LEU A 42 16.330 -11.196 -16.966 1.00 25.00 O ATOM 642 CB LEU A 42 16.201 -13.418 -15.048 1.00 25.00 C ATOM 643 CG LEU A 42 16.047 -14.159 -13.710 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.780 -15.009 -13.753 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.256 -15.054 -13.409 1.00 25.00 C ATOM 0 H LEU A 42 16.369 -10.812 -14.290 1.00 25.00 H new ATOM 0 HA LEU A 42 18.286 -12.974 -14.998 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.273 -12.881 -15.246 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.312 -14.163 -15.836 1.00 25.00 H new ATOM 0 HG LEU A 42 15.981 -13.415 -12.916 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.664 -15.538 -12.807 1.00 25.00 H new ATOM 0 HD12 LEU A 42 13.916 -14.366 -13.917 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.854 -15.732 -14.566 1.00 25.00 H new ATOM 0 HD21 LEU A 42 17.106 -15.559 -12.455 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.365 -15.797 -14.199 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.157 -14.443 -13.359 1.00 25.00 H new ATOM 657 N ASP A 43 18.457 -11.873 -17.255 1.00 25.00 N ATOM 658 CA ASP A 43 18.549 -11.279 -18.583 1.00 25.00 C ATOM 659 C ASP A 43 17.531 -11.930 -19.499 1.00 25.00 C ATOM 660 O ASP A 43 17.228 -13.121 -19.401 1.00 25.00 O ATOM 661 CB ASP A 43 19.952 -11.437 -19.181 1.00 25.00 C ATOM 662 CG ASP A 43 20.114 -10.674 -20.499 1.00 25.00 C ATOM 663 OD1 ASP A 43 19.380 -9.673 -20.715 1.00 25.00 O ATOM 664 OD2 ASP A 43 20.923 -11.103 -21.342 1.00 25.00 O ATOM 0 H ASP A 43 19.301 -12.353 -16.941 1.00 25.00 H new ATOM 0 HA ASP A 43 18.344 -10.213 -18.489 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.692 -11.080 -18.464 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.155 -12.495 -19.349 1.00 25.00 H new ATOM 669 N GLY A 44 16.980 -11.126 -20.384 1.00 25.00 N ATOM 670 CA GLY A 44 15.999 -11.604 -21.335 1.00 25.00 C ATOM 671 C GLY A 44 14.577 -11.620 -20.804 1.00 25.00 C ATOM 672 O GLY A 44 13.655 -11.696 -21.595 1.00 25.00 O ATOM 0 H GLY A 44 17.197 -10.133 -20.464 1.00 25.00 H new ATOM 0 HA2 GLY A 44 16.036 -10.976 -22.225 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.271 -12.613 -21.645 1.00 25.00 H new ATOM 676 N TRP A 45 14.371 -11.531 -19.499 1.00 25.00 N ATOM 677 CA TRP A 45 13.011 -11.519 -18.955 1.00 25.00 C ATOM 678 C TRP A 45 12.499 -10.094 -18.874 1.00 25.00 C ATOM 679 O TRP A 45 13.208 -9.202 -18.407 1.00 25.00 O ATOM 680 CB TRP A 45 12.980 -12.165 -17.575 1.00 25.00 C ATOM 681 CG TRP A 45 13.076 -13.649 -17.657 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.198 -14.400 -17.780 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.989 -14.596 -17.638 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.913 -15.730 -17.836 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.562 -15.897 -17.751 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.592 -14.477 -17.533 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.779 -17.069 -17.756 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.801 -15.651 -17.527 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.410 -16.935 -17.642 1.00 25.00 C ATOM 0 H TRP A 45 15.112 -11.467 -18.801 1.00 25.00 H new ATOM 0 HA TRP A 45 12.366 -12.093 -19.620 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.804 -11.780 -16.975 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.058 -11.888 -17.065 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.197 -13.992 -17.828 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.598 -16.480 -17.927 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.129 -13.504 -17.458 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.237 -18.043 -17.846 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.728 -15.573 -17.435 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.789 -17.819 -17.640 1.00 25.00 H new ATOM 700 N TRP A 46 11.296 -9.861 -19.373 1.00 25.00 N ATOM 701 CA TRP A 46 10.745 -8.515 -19.433 1.00 25.00 C ATOM 702 C TRP A 46 9.458 -8.474 -18.637 1.00 25.00 C ATOM 703 O TRP A 46 8.704 -9.450 -18.616 1.00 25.00 O ATOM 704 CB TRP A 46 10.464 -8.111 -20.885 1.00 25.00 C ATOM 705 CG TRP A 46 11.661 -8.228 -21.835 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.973 -8.429 -21.518 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.626 -8.171 -23.271 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.756 -8.511 -22.629 1.00 25.00 N ATOM 709 CE2 TRP A 46 12.962 -8.359 -23.734 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.598 -7.999 -24.222 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.289 -8.389 -25.106 1.00 25.00 C ATOM 712 CZ3 TRP A 46 10.923 -8.026 -25.603 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.265 -8.224 -26.029 1.00 25.00 C ATOM 0 H TRP A 46 10.681 -10.586 -19.743 1.00 25.00 H new ATOM 0 HA TRP A 46 11.468 -7.815 -19.014 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.654 -8.731 -21.268 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.110 -7.080 -20.897 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.345 -8.513 -20.508 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.765 -8.661 -22.637 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.577 -7.849 -23.903 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.309 -8.536 -25.430 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.143 -7.895 -26.338 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.491 -8.246 -27.085 1.00 25.00 H new ATOM 724 N LEU A 47 9.182 -7.344 -18.003 1.00 25.00 N ATOM 725 CA LEU A 47 7.926 -7.180 -17.278 1.00 25.00 C ATOM 726 C LEU A 47 6.910 -6.696 -18.286 1.00 25.00 C ATOM 727 O LEU A 47 7.058 -5.608 -18.858 1.00 25.00 O ATOM 728 CB LEU A 47 8.050 -6.153 -16.153 1.00 25.00 C ATOM 729 CG LEU A 47 6.842 -6.040 -15.209 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.667 -7.315 -14.373 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.034 -4.849 -14.278 1.00 25.00 C ATOM 0 H LEU A 47 9.801 -6.534 -17.974 1.00 25.00 H new ATOM 0 HA LEU A 47 7.637 -8.125 -16.818 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.929 -6.399 -15.558 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.231 -5.175 -16.599 1.00 25.00 H new ATOM 0 HG LEU A 47 5.947 -5.902 -15.816 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.805 -7.204 -13.716 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.511 -8.166 -15.036 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.561 -7.482 -13.773 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.178 -4.769 -13.609 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.942 -4.989 -13.691 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.120 -3.936 -14.868 1.00 25.00 H new ATOM 743 N CYS A 48 5.906 -7.510 -18.534 1.00 25.00 N ATOM 744 CA CYS A 48 4.882 -7.171 -19.496 1.00 25.00 C ATOM 745 C CYS A 48 3.578 -6.959 -18.759 1.00 25.00 C ATOM 746 O CYS A 48 3.406 -7.450 -17.650 1.00 25.00 O ATOM 747 CB CYS A 48 4.756 -8.277 -20.533 1.00 25.00 C ATOM 748 SG CYS A 48 6.305 -8.538 -21.427 1.00 25.00 S ATOM 0 H CYS A 48 5.778 -8.414 -18.080 1.00 25.00 H new ATOM 0 HA CYS A 48 5.146 -6.254 -20.022 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.459 -9.204 -20.042 1.00 25.00 H new ATOM 0 HB3 CYS A 48 3.966 -8.024 -21.240 1.00 25.00 H new ATOM 0 HG CYS A 48 6.050 -8.753 -22.683 1.00 25.00 H new ATOM 754 N SER A 49 2.664 -6.234 -19.382 1.00 25.00 N ATOM 755 CA SER A 49 1.352 -5.980 -18.811 1.00 25.00 C ATOM 756 C SER A 49 0.291 -6.423 -19.807 1.00 25.00 C ATOM 757 O SER A 49 0.341 -6.045 -20.985 1.00 25.00 O ATOM 758 CB SER A 49 1.201 -4.497 -18.474 1.00 25.00 C ATOM 759 OG SER A 49 -0.080 -4.226 -17.941 1.00 25.00 O ATOM 0 H SER A 49 2.810 -5.806 -20.296 1.00 25.00 H new ATOM 0 HA SER A 49 1.233 -6.544 -17.886 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.967 -4.204 -17.756 1.00 25.00 H new ATOM 0 HB3 SER A 49 1.359 -3.899 -19.371 1.00 25.00 H new ATOM 0 HG SER A 49 -0.152 -3.271 -17.732 1.00 25.00 H new ATOM 765 N LEU A 50 -0.614 -7.270 -19.339 1.00 25.00 N ATOM 766 CA LEU A 50 -1.645 -7.889 -20.164 1.00 25.00 C ATOM 767 C LEU A 50 -2.760 -8.348 -19.229 1.00 25.00 C ATOM 768 O LEU A 50 -2.501 -8.684 -18.082 1.00 25.00 O ATOM 769 CB LEU A 50 -1.055 -9.096 -20.901 1.00 25.00 C ATOM 770 CG LEU A 50 -1.953 -9.866 -21.887 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.388 -8.986 -23.056 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.198 -11.075 -22.392 1.00 25.00 C ATOM 0 H LEU A 50 -0.655 -7.552 -18.360 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.028 -7.185 -20.903 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.178 -8.753 -21.450 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.704 -9.804 -20.150 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.857 -10.180 -21.366 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -3.020 -9.563 -23.731 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.947 -8.130 -22.679 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.508 -8.635 -23.595 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.824 -11.629 -23.092 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.288 -10.751 -22.897 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -0.937 -11.718 -21.552 1.00 25.00 H new ATOM 784 N HIS A 51 -4.005 -8.335 -19.711 1.00 25.00 N ATOM 785 CA HIS A 51 -5.176 -8.768 -18.923 1.00 25.00 C ATOM 786 C HIS A 51 -5.342 -7.958 -17.616 1.00 25.00 C ATOM 787 O HIS A 51 -5.925 -8.417 -16.645 1.00 25.00 O ATOM 788 CB HIS A 51 -5.080 -10.275 -18.624 1.00 25.00 C ATOM 789 CG HIS A 51 -6.412 -10.953 -18.510 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.294 -10.758 -17.478 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.024 -11.858 -19.327 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.367 -11.509 -17.690 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.261 -12.200 -18.805 1.00 25.00 N ATOM 0 H HIS A 51 -4.236 -8.026 -20.655 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.065 -8.576 -19.524 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.503 -10.757 -19.413 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.529 -10.418 -17.694 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -7.149 -10.139 -16.680 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -6.607 -12.249 -20.243 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -9.221 -11.548 -17.030 1.00 25.00 H new ATOM 801 N GLY A 52 -4.828 -6.734 -17.618 1.00 25.00 N ATOM 802 CA GLY A 52 -4.993 -5.850 -16.473 1.00 25.00 C ATOM 803 C GLY A 52 -3.974 -6.045 -15.365 1.00 25.00 C ATOM 804 O GLY A 52 -4.057 -5.374 -14.343 1.00 25.00 O ATOM 0 H GLY A 52 -4.298 -6.334 -18.393 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -4.940 -4.818 -16.818 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -5.991 -5.997 -16.060 1.00 25.00 H new ATOM 808 N ARG A 53 -3.013 -6.944 -15.558 1.00 25.00 N ATOM 809 CA ARG A 53 -1.968 -7.162 -14.559 1.00 25.00 C ATOM 810 C ARG A 53 -0.616 -7.271 -15.219 1.00 25.00 C ATOM 811 O ARG A 53 -0.515 -7.508 -16.421 1.00 25.00 O ATOM 812 CB ARG A 53 -2.234 -8.423 -13.722 1.00 25.00 C ATOM 813 CG ARG A 53 -2.007 -9.762 -14.437 1.00 25.00 C ATOM 814 CD ARG A 53 -2.060 -10.892 -13.409 1.00 25.00 C ATOM 815 NE ARG A 53 -1.814 -12.227 -13.978 1.00 25.00 N ATOM 816 CZ ARG A 53 -0.636 -12.857 -13.989 1.00 25.00 C ATOM 817 NH1 ARG A 53 0.476 -12.319 -13.555 1.00 25.00 N ATOM 818 NH2 ARG A 53 -0.591 -14.076 -14.440 1.00 25.00 N ATOM 0 H ARG A 53 -2.935 -7.530 -16.389 1.00 25.00 H new ATOM 0 HA ARG A 53 -1.978 -6.300 -13.891 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -1.595 -8.391 -12.840 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -3.265 -8.391 -13.370 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -2.768 -9.914 -15.202 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -1.042 -9.759 -14.944 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -1.322 -10.697 -12.631 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -3.038 -10.887 -12.928 1.00 25.00 H new ATOM 0 HE ARG A 53 -2.608 -12.711 -14.398 1.00 25.00 H new ATOM 0 HH11 ARG A 53 0.472 -11.369 -13.183 1.00 25.00 H new ATOM 0 HH12 ARG A 53 1.346 -12.850 -13.589 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -1.442 -14.528 -14.774 1.00 25.00 H new ATOM 0 HH22 ARG A 53 0.295 -14.580 -14.460 1.00 25.00 H new ATOM 832 N GLN A 54 0.422 -7.114 -14.426 1.00 25.00 N ATOM 833 CA GLN A 54 1.771 -7.284 -14.911 1.00 25.00 C ATOM 834 C GLN A 54 2.219 -8.704 -14.587 1.00 25.00 C ATOM 835 O GLN A 54 1.648 -9.359 -13.707 1.00 25.00 O ATOM 836 CB GLN A 54 2.709 -6.271 -14.253 1.00 25.00 C ATOM 837 CG GLN A 54 2.298 -4.819 -14.477 1.00 25.00 C ATOM 838 CD GLN A 54 1.536 -4.219 -13.305 1.00 25.00 C ATOM 839 OE1 GLN A 54 0.618 -4.816 -12.769 1.00 25.00 O ATOM 840 NE2 GLN A 54 1.922 -3.037 -12.906 1.00 25.00 N ATOM 0 H GLN A 54 0.355 -6.868 -13.438 1.00 25.00 H new ATOM 0 HA GLN A 54 1.801 -7.117 -15.988 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.747 -6.467 -13.182 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.717 -6.418 -14.640 1.00 25.00 H new ATOM 0 HG2 GLN A 54 3.190 -4.222 -14.665 1.00 25.00 H new ATOM 0 HG3 GLN A 54 1.679 -4.758 -15.372 1.00 25.00 H new ATOM 0 HE21 GLN A 54 2.694 -2.566 -13.378 1.00 25.00 H new ATOM 0 HE22 GLN A 54 1.451 -2.584 -12.122 1.00 25.00 H new ATOM 849 N GLY A 55 3.243 -9.172 -15.281 1.00 25.00 N ATOM 850 CA GLY A 55 3.821 -10.472 -15.008 1.00 25.00 C ATOM 851 C GLY A 55 5.099 -10.617 -15.803 1.00 25.00 C ATOM 852 O GLY A 55 5.335 -9.844 -16.736 1.00 25.00 O ATOM 0 H GLY A 55 3.692 -8.664 -16.043 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.026 -10.577 -13.943 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.118 -11.261 -15.277 1.00 25.00 H new ATOM 856 N ILE A 56 5.943 -11.560 -15.414 1.00 25.00 N ATOM 857 CA ILE A 56 7.216 -11.760 -16.105 1.00 25.00 C ATOM 858 C ILE A 56 6.973 -12.601 -17.356 1.00 25.00 C ATOM 859 O ILE A 56 6.090 -13.464 -17.388 1.00 25.00 O ATOM 860 CB ILE A 56 8.299 -12.423 -15.171 1.00 25.00 C ATOM 861 CG1 ILE A 56 7.909 -13.870 -14.783 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.494 -11.548 -13.900 1.00 25.00 C ATOM 863 CD1 ILE A 56 8.988 -14.640 -14.000 1.00 25.00 C ATOM 0 H ILE A 56 5.776 -12.195 -14.633 1.00 25.00 H new ATOM 0 HA ILE A 56 7.615 -10.787 -16.391 1.00 25.00 H new ATOM 0 HB ILE A 56 9.239 -12.479 -15.720 1.00 25.00 H new ATOM 0 HG12 ILE A 56 6.999 -13.838 -14.184 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.674 -14.424 -15.692 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.243 -12.006 -13.254 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.827 -10.552 -14.192 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.549 -11.472 -13.362 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.626 -15.643 -13.772 1.00 25.00 H new ATOM 0 HD12 ILE A 56 9.894 -14.709 -14.602 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.208 -14.114 -13.071 1.00 25.00 H new ATOM 875 N VAL A 57 7.713 -12.285 -18.409 1.00 25.00 N ATOM 876 CA VAL A 57 7.595 -12.984 -19.687 1.00 25.00 C ATOM 877 C VAL A 57 8.998 -13.120 -20.279 1.00 25.00 C ATOM 878 O VAL A 57 9.755 -12.138 -20.311 1.00 25.00 O ATOM 879 CB VAL A 57 6.711 -12.163 -20.687 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.675 -12.827 -22.057 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.283 -12.001 -20.150 1.00 25.00 C ATOM 0 H VAL A 57 8.410 -11.541 -18.405 1.00 25.00 H new ATOM 0 HA VAL A 57 7.132 -13.958 -19.526 1.00 25.00 H new ATOM 0 HB VAL A 57 7.162 -11.176 -20.789 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.055 -12.237 -22.731 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.687 -12.891 -22.457 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.258 -13.830 -21.965 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.689 -11.428 -20.862 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.833 -12.984 -20.011 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.311 -11.476 -19.195 1.00 25.00 H new ATOM 891 N PRO A 58 9.367 -14.313 -20.779 1.00 25.00 N ATOM 892 CA PRO A 58 10.680 -14.371 -21.438 1.00 25.00 C ATOM 893 C PRO A 58 10.654 -13.630 -22.789 1.00 25.00 C ATOM 894 O PRO A 58 9.954 -14.013 -23.722 1.00 25.00 O ATOM 895 CB PRO A 58 10.919 -15.872 -21.593 1.00 25.00 C ATOM 896 CG PRO A 58 9.546 -16.458 -21.701 1.00 25.00 C ATOM 897 CD PRO A 58 8.673 -15.619 -20.821 1.00 25.00 C ATOM 0 HA PRO A 58 11.477 -13.882 -20.878 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.515 -16.090 -22.479 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.459 -16.279 -20.738 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.194 -16.440 -22.732 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.539 -17.500 -21.380 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.667 -15.524 -21.229 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.574 -16.052 -19.826 1.00 25.00 H new ATOM 905 N GLY A 59 11.408 -12.547 -22.866 1.00 25.00 N ATOM 906 CA GLY A 59 11.384 -11.663 -24.017 1.00 25.00 C ATOM 907 C GLY A 59 11.851 -12.257 -25.321 1.00 25.00 C ATOM 908 O GLY A 59 11.462 -11.788 -26.381 1.00 25.00 O ATOM 0 H GLY A 59 12.054 -12.256 -22.132 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.364 -11.302 -24.151 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.003 -10.794 -23.795 1.00 25.00 H new ATOM 912 N ASN A 60 12.637 -13.326 -25.272 1.00 25.00 N ATOM 913 CA ASN A 60 13.076 -13.990 -26.501 1.00 25.00 C ATOM 914 C ASN A 60 11.887 -14.653 -27.209 1.00 25.00 C ATOM 915 O ASN A 60 11.966 -14.978 -28.390 1.00 25.00 O ATOM 916 CB ASN A 60 14.157 -15.041 -26.199 1.00 25.00 C ATOM 917 CG ASN A 60 15.498 -14.420 -25.868 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.731 -13.252 -26.119 1.00 25.00 O ATOM 919 ND2 ASN A 60 16.380 -15.199 -25.310 1.00 25.00 N ATOM 0 H ASN A 60 12.981 -13.749 -24.410 1.00 25.00 H new ATOM 0 HA ASN A 60 13.502 -13.232 -27.159 1.00 25.00 H new ATOM 0 HB2 ASN A 60 13.832 -15.661 -25.364 1.00 25.00 H new ATOM 0 HB3 ASN A 60 14.269 -15.700 -27.060 1.00 25.00 H new ATOM 0 HD21 ASN A 60 17.302 -14.835 -25.068 1.00 25.00 H new ATOM 0 HD22 ASN A 60 16.149 -16.173 -25.114 1.00 25.00 H new ATOM 926 N ARG A 61 10.783 -14.838 -26.490 1.00 25.00 N ATOM 927 CA ARG A 61 9.566 -15.414 -27.076 1.00 25.00 C ATOM 928 C ARG A 61 8.632 -14.315 -27.577 1.00 25.00 C ATOM 929 O ARG A 61 7.487 -14.588 -27.941 1.00 25.00 O ATOM 930 CB ARG A 61 8.838 -16.288 -26.052 1.00 25.00 C ATOM 931 CG ARG A 61 9.696 -17.451 -25.553 1.00 25.00 C ATOM 932 CD ARG A 61 8.834 -18.622 -25.066 1.00 25.00 C ATOM 933 NE ARG A 61 9.279 -19.165 -23.766 1.00 25.00 N ATOM 934 CZ ARG A 61 10.286 -20.020 -23.583 1.00 25.00 C ATOM 935 NH1 ARG A 61 11.029 -20.467 -24.566 1.00 25.00 N ATOM 936 NH2 ARG A 61 10.551 -20.428 -22.373 1.00 25.00 N ATOM 0 H ARG A 61 10.701 -14.599 -25.502 1.00 25.00 H new ATOM 0 HA ARG A 61 9.862 -16.033 -27.923 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.538 -15.673 -25.204 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.925 -16.681 -26.500 1.00 25.00 H new ATOM 0 HG2 ARG A 61 10.351 -17.790 -26.355 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.337 -17.108 -24.741 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.798 -18.293 -24.981 1.00 25.00 H new ATOM 0 HD3 ARG A 61 8.855 -19.417 -25.812 1.00 25.00 H new ATOM 0 HE ARG A 61 8.772 -18.859 -22.936 1.00 25.00 H new ATOM 0 HH11 ARG A 61 10.848 -20.161 -25.522 1.00 25.00 H new ATOM 0 HH12 ARG A 61 11.788 -21.121 -24.375 1.00 25.00 H new ATOM 0 HH21 ARG A 61 9.992 -20.093 -21.588 1.00 25.00 H new ATOM 0 HH22 ARG A 61 11.317 -21.082 -22.212 1.00 25.00 H new ATOM 950 N LEU A 62 9.117 -13.084 -27.591 1.00 25.00 N ATOM 951 CA LEU A 62 8.326 -11.929 -28.018 1.00 25.00 C ATOM 952 C LEU A 62 8.992 -11.219 -29.192 1.00 25.00 C ATOM 953 O LEU A 62 10.209 -11.251 -29.346 1.00 25.00 O ATOM 954 CB LEU A 62 8.190 -10.912 -26.873 1.00 25.00 C ATOM 955 CG LEU A 62 7.537 -11.357 -25.556 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.561 -10.177 -24.581 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.106 -11.825 -25.776 1.00 25.00 C ATOM 0 H LEU A 62 10.069 -12.852 -27.308 1.00 25.00 H new ATOM 0 HA LEU A 62 7.345 -12.302 -28.312 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.189 -10.546 -26.638 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.621 -10.063 -27.252 1.00 25.00 H new ATOM 0 HG LEU A 62 8.096 -12.199 -25.148 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.101 -10.474 -23.639 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.593 -9.874 -24.402 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.007 -9.341 -25.008 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.673 -12.133 -24.824 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.517 -11.009 -26.195 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.101 -12.669 -26.466 1.00 25.00 H new ATOM 969 N LYS A 63 8.190 -10.525 -29.987 1.00 25.00 N ATOM 970 CA LYS A 63 8.691 -9.719 -31.095 1.00 25.00 C ATOM 971 C LYS A 63 8.296 -8.276 -30.844 1.00 25.00 C ATOM 972 O LYS A 63 7.112 -7.954 -30.836 1.00 25.00 O ATOM 973 CB LYS A 63 8.074 -10.217 -32.408 1.00 25.00 C ATOM 974 CG LYS A 63 8.527 -9.465 -33.669 1.00 25.00 C ATOM 975 CD LYS A 63 9.969 -9.782 -34.032 1.00 25.00 C ATOM 976 CE LYS A 63 10.374 -9.015 -35.284 1.00 25.00 C ATOM 977 NZ LYS A 63 11.772 -9.380 -35.740 1.00 25.00 N ATOM 0 H LYS A 63 7.175 -10.504 -29.884 1.00 25.00 H new ATOM 0 HA LYS A 63 9.776 -9.799 -31.169 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.316 -11.273 -32.527 1.00 25.00 H new ATOM 0 HB3 LYS A 63 6.989 -10.145 -32.331 1.00 25.00 H new ATOM 0 HG2 LYS A 63 7.876 -9.730 -34.503 1.00 25.00 H new ATOM 0 HG3 LYS A 63 8.420 -8.392 -33.510 1.00 25.00 H new ATOM 0 HD2 LYS A 63 10.627 -9.517 -33.205 1.00 25.00 H new ATOM 0 HD3 LYS A 63 10.083 -10.853 -34.199 1.00 25.00 H new ATOM 0 HE2 LYS A 63 9.664 -9.225 -36.084 1.00 25.00 H new ATOM 0 HE3 LYS A 63 10.324 -7.944 -35.086 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 12.011 -8.837 -36.594 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 12.453 -9.156 -34.986 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 11.813 -10.397 -35.953 1.00 25.00 H new ATOM 991 N ILE A 64 9.289 -7.416 -30.668 1.00 25.00 N ATOM 992 CA ILE A 64 9.038 -5.984 -30.505 1.00 25.00 C ATOM 993 C ILE A 64 8.384 -5.497 -31.793 1.00 25.00 C ATOM 994 O ILE A 64 8.851 -5.817 -32.891 1.00 25.00 O ATOM 995 CB ILE A 64 10.357 -5.192 -30.236 1.00 25.00 C ATOM 996 CG1 ILE A 64 10.972 -5.602 -28.879 1.00 25.00 C ATOM 997 CG2 ILE A 64 10.112 -3.657 -30.282 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.205 -5.101 -27.614 1.00 25.00 C ATOM 0 H ILE A 64 10.274 -7.680 -30.634 1.00 25.00 H new ATOM 0 HA ILE A 64 8.392 -5.817 -29.643 1.00 25.00 H new ATOM 0 HB ILE A 64 11.064 -5.443 -31.027 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.030 -6.690 -28.840 1.00 25.00 H new ATOM 0 HG13 ILE A 64 11.994 -5.226 -28.835 1.00 25.00 H new ATOM 0 HG21 ILE A 64 11.049 -3.133 -30.091 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.734 -3.378 -31.266 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.381 -3.382 -29.521 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.720 -5.444 -26.717 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.169 -4.012 -27.618 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.190 -5.498 -27.623 1.00 25.00 H new ATOM 1010 N LEU A 65 7.304 -4.746 -31.645 1.00 25.00 N ATOM 1011 CA LEU A 65 6.564 -4.218 -32.781 1.00 25.00 C ATOM 1012 C LEU A 65 6.130 -2.806 -32.451 1.00 25.00 C ATOM 1013 O LEU A 65 5.778 -2.513 -31.312 1.00 25.00 O ATOM 1014 CB LEU A 65 5.334 -5.092 -33.049 1.00 25.00 C ATOM 1015 CG LEU A 65 5.322 -5.815 -34.403 1.00 25.00 C ATOM 1016 CD1 LEU A 65 4.181 -6.837 -34.427 1.00 25.00 C ATOM 1017 CD2 LEU A 65 5.174 -4.834 -35.569 1.00 25.00 C ATOM 0 H LEU A 65 6.917 -4.486 -30.738 1.00 25.00 H new ATOM 0 HA LEU A 65 7.192 -4.218 -33.672 1.00 25.00 H new ATOM 0 HB2 LEU A 65 5.260 -5.838 -32.257 1.00 25.00 H new ATOM 0 HB3 LEU A 65 4.444 -4.467 -32.982 1.00 25.00 H new ATOM 0 HG LEU A 65 6.278 -6.325 -34.523 1.00 25.00 H new ATOM 0 HD11 LEU A 65 4.173 -7.350 -35.389 1.00 25.00 H new ATOM 0 HD12 LEU A 65 4.327 -7.564 -33.629 1.00 25.00 H new ATOM 0 HD13 LEU A 65 3.230 -6.324 -34.281 1.00 25.00 H new ATOM 0 HD21 LEU A 65 5.170 -5.385 -36.510 1.00 25.00 H new ATOM 0 HD22 LEU A 65 4.238 -4.285 -35.466 1.00 25.00 H new ATOM 0 HD23 LEU A 65 6.009 -4.133 -35.563 1.00 25.00 H new ATOM 1029 N VAL A 66 6.153 -1.927 -33.437 1.00 25.00 N ATOM 1030 CA VAL A 66 5.674 -0.563 -33.252 1.00 25.00 C ATOM 1031 C VAL A 66 4.196 -0.557 -33.619 1.00 25.00 C ATOM 1032 O VAL A 66 3.747 -1.398 -34.390 1.00 25.00 O ATOM 1033 CB VAL A 66 6.483 0.462 -34.114 1.00 25.00 C ATOM 1034 CG1 VAL A 66 7.939 0.522 -33.631 1.00 25.00 C ATOM 1035 CG2 VAL A 66 6.443 0.092 -35.616 1.00 25.00 C ATOM 0 H VAL A 66 6.498 -2.130 -34.375 1.00 25.00 H new ATOM 0 HA VAL A 66 5.815 -0.251 -32.217 1.00 25.00 H new ATOM 0 HB VAL A 66 6.019 1.441 -33.994 1.00 25.00 H new ATOM 0 HG11 VAL A 66 8.494 1.238 -34.237 1.00 25.00 H new ATOM 0 HG12 VAL A 66 7.963 0.834 -32.587 1.00 25.00 H new ATOM 0 HG13 VAL A 66 8.395 -0.464 -33.726 1.00 25.00 H new ATOM 0 HG21 VAL A 66 7.015 0.824 -36.186 1.00 25.00 H new ATOM 0 HG22 VAL A 66 6.877 -0.898 -35.759 1.00 25.00 H new ATOM 0 HG23 VAL A 66 5.410 0.089 -35.963 1.00 25.00 H new ATOM 1045 N GLY A 67 3.442 0.359 -33.030 1.00 25.00 N ATOM 1046 CA GLY A 67 2.004 0.417 -33.245 1.00 25.00 C ATOM 1047 C GLY A 67 1.294 0.874 -31.991 1.00 25.00 C ATOM 1048 O GLY A 67 0.747 0.072 -31.247 1.00 25.00 O ATOM 0 H GLY A 67 3.803 1.074 -32.398 1.00 25.00 H new ATOM 0 HA2 GLY A 67 1.781 1.100 -34.065 1.00 25.00 H new ATOM 0 HA3 GLY A 67 1.635 -0.565 -33.540 1.00 25.00 H new ATOM 1052 N MET A 68 1.362 2.167 -31.712 1.00 25.00 N ATOM 1053 CA MET A 68 0.727 2.708 -30.520 1.00 25.00 C ATOM 1054 C MET A 68 -0.780 2.703 -30.748 1.00 25.00 C ATOM 1055 O MET A 68 -1.244 3.104 -31.808 1.00 25.00 O ATOM 1056 CB MET A 68 1.194 4.145 -30.253 1.00 25.00 C ATOM 1057 CG MET A 68 2.702 4.296 -30.045 1.00 25.00 C ATOM 1058 SD MET A 68 3.646 4.393 -31.603 1.00 25.00 S ATOM 1059 CE MET A 68 3.247 6.074 -32.179 1.00 25.00 C ATOM 0 H MET A 68 1.846 2.855 -32.289 1.00 25.00 H new ATOM 0 HA MET A 68 0.996 2.099 -29.657 1.00 25.00 H new ATOM 0 HB2 MET A 68 0.891 4.773 -31.091 1.00 25.00 H new ATOM 0 HB3 MET A 68 0.679 4.522 -29.370 1.00 25.00 H new ATOM 0 HG2 MET A 68 2.891 5.195 -29.458 1.00 25.00 H new ATOM 0 HG3 MET A 68 3.066 3.451 -29.461 1.00 25.00 H new ATOM 0 HE1 MET A 68 3.890 6.332 -33.021 1.00 25.00 H new ATOM 0 HE2 MET A 68 2.204 6.113 -32.493 1.00 25.00 H new ATOM 0 HE3 MET A 68 3.408 6.784 -31.368 1.00 25.00 H new ATOM 1069 N TYR A 69 -1.525 2.275 -29.745 1.00 25.00 N ATOM 1070 CA TYR A 69 -2.986 2.248 -29.825 1.00 25.00 C ATOM 1071 C TYR A 69 -3.559 3.644 -29.570 1.00 25.00 C ATOM 1072 O TYR A 69 -4.060 3.923 -28.481 1.00 25.00 O ATOM 1073 CB TYR A 69 -3.559 1.251 -28.810 1.00 25.00 C ATOM 1074 CG TYR A 69 -3.284 -0.198 -29.165 1.00 25.00 C ATOM 1075 CD1 TYR A 69 -2.106 -0.848 -28.729 1.00 25.00 C ATOM 1076 CD2 TYR A 69 -4.211 -0.929 -29.935 1.00 25.00 C ATOM 1077 CE1 TYR A 69 -1.861 -2.206 -29.058 1.00 25.00 C ATOM 1078 CE2 TYR A 69 -3.971 -2.285 -30.263 1.00 25.00 C ATOM 1079 CZ TYR A 69 -2.799 -2.912 -29.816 1.00 25.00 C ATOM 1080 OH TYR A 69 -2.573 -4.229 -30.124 1.00 25.00 O ATOM 0 H TYR A 69 -1.147 1.939 -28.859 1.00 25.00 H new ATOM 0 HA TYR A 69 -3.270 1.929 -30.828 1.00 25.00 H new ATOM 0 HB2 TYR A 69 -3.138 1.462 -27.827 1.00 25.00 H new ATOM 0 HB3 TYR A 69 -4.636 1.400 -28.734 1.00 25.00 H new ATOM 0 HD1 TYR A 69 -1.384 -0.304 -28.138 1.00 25.00 H new ATOM 0 HD2 TYR A 69 -5.115 -0.449 -30.279 1.00 25.00 H new ATOM 0 HE1 TYR A 69 -0.955 -2.691 -28.725 1.00 25.00 H new ATOM 0 HE2 TYR A 69 -4.688 -2.835 -30.855 1.00 25.00 H new ATOM 0 HH TYR A 69 -3.321 -4.574 -30.655 1.00 25.00 H new ATOM 1090 N ASP A 70 -3.417 4.513 -30.565 1.00 25.00 N ATOM 1091 CA ASP A 70 -3.971 5.881 -30.561 1.00 25.00 C ATOM 1092 C ASP A 70 -3.612 6.718 -29.329 1.00 25.00 C ATOM 1093 O ASP A 70 -4.347 7.620 -28.928 1.00 25.00 O ATOM 1094 CB ASP A 70 -5.490 5.814 -30.741 1.00 25.00 C ATOM 1095 CG ASP A 70 -5.883 5.104 -32.014 1.00 25.00 C ATOM 1096 OD1 ASP A 70 -6.786 4.249 -31.966 1.00 25.00 O ATOM 1097 OD2 ASP A 70 -5.254 5.371 -33.063 1.00 25.00 O ATOM 0 H ASP A 70 -2.905 4.291 -31.419 1.00 25.00 H new ATOM 0 HA ASP A 70 -3.503 6.400 -31.398 1.00 25.00 H new ATOM 0 HB2 ASP A 70 -5.933 5.299 -29.888 1.00 25.00 H new ATOM 0 HB3 ASP A 70 -5.898 6.825 -30.750 1.00 25.00 H new ATOM 1102 N LYS A 71 -2.468 6.427 -28.724 1.00 25.00 N ATOM 1103 CA LYS A 71 -2.038 7.182 -27.549 1.00 25.00 C ATOM 1104 C LYS A 71 -1.606 8.582 -27.928 1.00 25.00 C ATOM 1105 O LYS A 71 -0.971 8.799 -28.951 1.00 25.00 O ATOM 1106 CB LYS A 71 -0.895 6.485 -26.811 1.00 25.00 C ATOM 1107 CG LYS A 71 -1.327 5.215 -26.090 1.00 25.00 C ATOM 1108 CD LYS A 71 -0.279 4.798 -25.064 1.00 25.00 C ATOM 1109 CE LYS A 71 -0.694 3.511 -24.351 1.00 25.00 C ATOM 1110 NZ LYS A 71 0.241 3.177 -23.215 1.00 25.00 N ATOM 0 H LYS A 71 -1.829 5.688 -29.018 1.00 25.00 H new ATOM 0 HA LYS A 71 -2.899 7.237 -26.883 1.00 25.00 H new ATOM 0 HB2 LYS A 71 -0.108 6.239 -27.524 1.00 25.00 H new ATOM 0 HB3 LYS A 71 -0.465 7.177 -26.087 1.00 25.00 H new ATOM 0 HG2 LYS A 71 -2.284 5.379 -25.594 1.00 25.00 H new ATOM 0 HG3 LYS A 71 -1.476 4.413 -26.813 1.00 25.00 H new ATOM 0 HD2 LYS A 71 0.681 4.651 -25.558 1.00 25.00 H new ATOM 0 HD3 LYS A 71 -0.142 5.595 -24.333 1.00 25.00 H new ATOM 0 HE2 LYS A 71 -1.709 3.618 -23.968 1.00 25.00 H new ATOM 0 HE3 LYS A 71 -0.708 2.688 -25.065 1.00 25.00 H new ATOM 0 HZ1 LYS A 71 0.152 2.169 -22.977 1.00 25.00 H new ATOM 0 HZ2 LYS A 71 1.220 3.380 -23.500 1.00 25.00 H new ATOM 0 HZ3 LYS A 71 -0.004 3.752 -22.384 1.00 25.00 H new ATOM 1124 N LYS A 72 -1.922 9.513 -27.047 1.00 25.00 N ATOM 1125 CA LYS A 72 -1.596 10.925 -27.207 1.00 25.00 C ATOM 1126 C LYS A 72 -0.667 11.313 -26.056 1.00 25.00 C ATOM 1127 O LYS A 72 -0.623 10.602 -25.051 1.00 25.00 O ATOM 1128 CB LYS A 72 -2.894 11.746 -27.167 1.00 25.00 C ATOM 1129 CG LYS A 72 -3.705 11.561 -25.863 1.00 25.00 C ATOM 1130 CD LYS A 72 -4.976 12.396 -25.833 1.00 25.00 C ATOM 1131 CE LYS A 72 -6.039 11.870 -26.807 1.00 25.00 C ATOM 1132 NZ LYS A 72 -7.282 12.717 -26.745 1.00 25.00 N ATOM 0 H LYS A 72 -2.422 9.309 -26.182 1.00 25.00 H new ATOM 0 HA LYS A 72 -1.102 11.118 -28.159 1.00 25.00 H new ATOM 0 HB2 LYS A 72 -2.650 12.802 -27.286 1.00 25.00 H new ATOM 0 HB3 LYS A 72 -3.518 11.465 -28.016 1.00 25.00 H new ATOM 0 HG2 LYS A 72 -3.965 10.509 -25.749 1.00 25.00 H new ATOM 0 HG3 LYS A 72 -3.080 11.829 -25.011 1.00 25.00 H new ATOM 0 HD2 LYS A 72 -5.382 12.399 -24.822 1.00 25.00 H new ATOM 0 HD3 LYS A 72 -4.736 13.429 -26.084 1.00 25.00 H new ATOM 0 HE2 LYS A 72 -5.642 11.872 -27.822 1.00 25.00 H new ATOM 0 HE3 LYS A 72 -6.284 10.837 -26.562 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 -7.989 12.345 -27.411 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 -7.670 12.695 -25.780 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 -7.047 13.697 -27.001 1.00 25.00 H new ATOM 1146 N PRO A 73 0.092 12.420 -26.189 1.00 25.00 N ATOM 1147 CA PRO A 73 0.939 12.832 -25.058 1.00 25.00 C ATOM 1148 C PRO A 73 0.101 13.419 -23.915 1.00 25.00 C ATOM 1149 O PRO A 73 -1.107 13.621 -24.061 1.00 25.00 O ATOM 1150 CB PRO A 73 1.844 13.897 -25.683 1.00 25.00 C ATOM 1151 CG PRO A 73 0.985 14.525 -26.718 1.00 25.00 C ATOM 1152 CD PRO A 73 0.216 13.370 -27.318 1.00 25.00 C ATOM 0 HA PRO A 73 1.489 12.004 -24.611 1.00 25.00 H new ATOM 0 HB2 PRO A 73 2.176 14.625 -24.943 1.00 25.00 H new ATOM 0 HB3 PRO A 73 2.740 13.455 -26.120 1.00 25.00 H new ATOM 0 HG2 PRO A 73 0.314 15.266 -26.282 1.00 25.00 H new ATOM 0 HG3 PRO A 73 1.582 15.039 -27.471 1.00 25.00 H new ATOM 0 HD2 PRO A 73 -0.760 13.685 -27.687 1.00 25.00 H new ATOM 0 HD3 PRO A 73 0.748 12.927 -28.160 1.00 25.00 H new ATOM 1160 N ALA A 74 0.750 13.713 -22.796 1.00 25.00 N ATOM 1161 CA ALA A 74 0.084 14.306 -21.633 1.00 25.00 C ATOM 1162 C ALA A 74 1.082 15.239 -20.936 1.00 25.00 C ATOM 1163 O ALA A 74 2.285 15.117 -21.150 1.00 25.00 O ATOM 1164 CB ALA A 74 -0.390 13.196 -20.674 1.00 25.00 C ATOM 0 H ALA A 74 1.748 13.550 -22.664 1.00 25.00 H new ATOM 0 HA ALA A 74 -0.793 14.874 -21.944 1.00 25.00 H new ATOM 0 HB1 ALA A 74 -0.884 13.646 -19.813 1.00 25.00 H new ATOM 0 HB2 ALA A 74 -1.090 12.541 -21.193 1.00 25.00 H new ATOM 0 HB3 ALA A 74 0.469 12.615 -20.338 1.00 25.00 H new ATOM 1170 N GLY A 75 0.564 16.143 -20.112 1.00 25.00 N ATOM 1171 CA GLY A 75 1.393 17.112 -19.405 1.00 25.00 C ATOM 1172 C GLY A 75 0.783 18.492 -19.516 1.00 25.00 C ATOM 1173 O GLY A 75 1.091 19.232 -20.434 1.00 25.00 O ATOM 0 H GLY A 75 -0.434 16.225 -19.916 1.00 25.00 H new ATOM 0 HA2 GLY A 75 1.484 16.829 -18.356 1.00 25.00 H new ATOM 0 HA3 GLY A 75 2.400 17.115 -19.823 1.00 25.00 H new ATOM 1177 N GLU A 76 -0.151 18.805 -18.626 1.00 25.00 N ATOM 1178 CA GLU A 76 -0.921 20.055 -18.714 1.00 25.00 C ATOM 1179 C GLU A 76 -0.459 21.143 -17.741 1.00 25.00 C ATOM 1180 O GLU A 76 -0.956 22.263 -17.775 1.00 25.00 O ATOM 1181 CB GLU A 76 -2.407 19.745 -18.484 1.00 25.00 C ATOM 1182 CG GLU A 76 -2.726 19.265 -17.064 1.00 25.00 C ATOM 1183 CD GLU A 76 -4.125 18.686 -16.937 1.00 25.00 C ATOM 1184 OE1 GLU A 76 -4.383 17.994 -15.931 1.00 25.00 O ATOM 1185 OE2 GLU A 76 -4.949 18.866 -17.865 1.00 25.00 O ATOM 0 H GLU A 76 -0.399 18.215 -17.832 1.00 25.00 H new ATOM 0 HA GLU A 76 -0.753 20.458 -19.713 1.00 25.00 H new ATOM 0 HB2 GLU A 76 -2.992 20.640 -18.695 1.00 25.00 H new ATOM 0 HB3 GLU A 76 -2.724 18.982 -19.195 1.00 25.00 H new ATOM 0 HG2 GLU A 76 -1.997 18.510 -16.769 1.00 25.00 H new ATOM 0 HG3 GLU A 76 -2.619 20.100 -16.371 1.00 25.00 H new ATOM 1192 N PHE A 77 0.513 20.825 -16.896 1.00 25.00 N ATOM 1193 CA PHE A 77 1.050 21.799 -15.953 1.00 25.00 C ATOM 1194 C PHE A 77 2.510 21.476 -15.698 1.00 25.00 C ATOM 1195 O PHE A 77 2.946 20.343 -15.910 1.00 25.00 O ATOM 1196 CB PHE A 77 0.261 21.786 -14.633 1.00 25.00 C ATOM 1197 CG PHE A 77 0.481 20.550 -13.790 1.00 25.00 C ATOM 1198 CD1 PHE A 77 1.374 20.576 -12.699 1.00 25.00 C ATOM 1199 CD2 PHE A 77 -0.220 19.363 -14.065 1.00 25.00 C ATOM 1200 CE1 PHE A 77 1.573 19.422 -11.903 1.00 25.00 C ATOM 1201 CE2 PHE A 77 -0.026 18.205 -13.278 1.00 25.00 C ATOM 1202 CZ PHE A 77 0.878 18.235 -12.200 1.00 25.00 C ATOM 0 H PHE A 77 0.945 19.903 -16.844 1.00 25.00 H new ATOM 0 HA PHE A 77 0.959 22.798 -16.380 1.00 25.00 H new ATOM 0 HB2 PHE A 77 0.537 22.664 -14.049 1.00 25.00 H new ATOM 0 HB3 PHE A 77 -0.802 21.874 -14.857 1.00 25.00 H new ATOM 0 HD1 PHE A 77 1.911 21.484 -12.468 1.00 25.00 H new ATOM 0 HD2 PHE A 77 -0.917 19.335 -14.890 1.00 25.00 H new ATOM 0 HE1 PHE A 77 2.258 19.453 -11.068 1.00 25.00 H new ATOM 0 HE2 PHE A 77 -0.570 17.300 -13.503 1.00 25.00 H new ATOM 0 HZ PHE A 77 1.038 17.350 -11.602 1.00 25.00 H new ATOM 1212 N ILE A 78 3.261 22.484 -15.278 1.00 25.00 N ATOM 1213 CA ILE A 78 4.706 22.353 -15.034 1.00 25.00 C ATOM 1214 C ILE A 78 5.084 22.873 -13.645 1.00 25.00 C ATOM 1215 O ILE A 78 6.245 23.110 -13.359 1.00 25.00 O ATOM 1216 CB ILE A 78 5.523 23.145 -16.108 1.00 25.00 C ATOM 1217 CG1 ILE A 78 5.154 24.645 -16.079 1.00 25.00 C ATOM 1218 CG2 ILE A 78 5.263 22.550 -17.516 1.00 25.00 C ATOM 1219 CD1 ILE A 78 6.082 25.536 -16.909 1.00 25.00 C ATOM 0 H ILE A 78 2.894 23.418 -15.094 1.00 25.00 H new ATOM 0 HA ILE A 78 4.948 21.292 -15.097 1.00 25.00 H new ATOM 0 HB ILE A 78 6.584 23.052 -15.876 1.00 25.00 H new ATOM 0 HG12 ILE A 78 4.134 24.764 -16.443 1.00 25.00 H new ATOM 0 HG13 ILE A 78 5.166 24.991 -15.045 1.00 25.00 H new ATOM 0 HG21 ILE A 78 5.835 23.107 -18.258 1.00 25.00 H new ATOM 0 HG22 ILE A 78 5.570 21.504 -17.531 1.00 25.00 H new ATOM 0 HG23 ILE A 78 4.201 22.620 -17.750 1.00 25.00 H new ATOM 0 HD11 ILE A 78 5.753 26.573 -16.835 1.00 25.00 H new ATOM 0 HD12 ILE A 78 7.101 25.450 -16.532 1.00 25.00 H new ATOM 0 HD13 ILE A 78 6.053 25.220 -17.952 1.00 25.00 H new ATOM 1231 N VAL A 79 4.065 23.050 -12.800 1.00 25.00 N ATOM 1232 CA VAL A 79 4.205 23.603 -11.432 1.00 25.00 C ATOM 1233 C VAL A 79 4.733 25.042 -11.497 1.00 25.00 C ATOM 1234 O VAL A 79 5.910 25.315 -11.312 1.00 25.00 O ATOM 1235 CB VAL A 79 5.096 22.715 -10.489 1.00 25.00 C ATOM 1236 CG1 VAL A 79 4.999 23.210 -9.030 1.00 25.00 C ATOM 1237 CG2 VAL A 79 4.644 21.246 -10.549 1.00 25.00 C ATOM 0 H VAL A 79 3.103 22.813 -13.041 1.00 25.00 H new ATOM 0 HA VAL A 79 3.210 23.603 -10.987 1.00 25.00 H new ATOM 0 HB VAL A 79 6.128 22.793 -10.831 1.00 25.00 H new ATOM 0 HG11 VAL A 79 5.622 22.584 -8.391 1.00 25.00 H new ATOM 0 HG12 VAL A 79 5.343 24.243 -8.973 1.00 25.00 H new ATOM 0 HG13 VAL A 79 3.963 23.153 -8.695 1.00 25.00 H new ATOM 0 HG21 VAL A 79 5.271 20.645 -9.890 1.00 25.00 H new ATOM 0 HG22 VAL A 79 3.605 21.172 -10.228 1.00 25.00 H new ATOM 0 HG23 VAL A 79 4.735 20.879 -11.571 1.00 25.00 H new ATOM 1247 N THR A 80 3.819 25.959 -11.777 1.00 25.00 N ATOM 1248 CA THR A 80 4.150 27.379 -11.859 1.00 25.00 C ATOM 1249 C THR A 80 4.463 27.949 -10.480 1.00 25.00 C ATOM 1250 O THR A 80 5.386 28.733 -10.314 1.00 25.00 O ATOM 1251 CB THR A 80 2.966 28.150 -12.444 1.00 25.00 C ATOM 1252 OG1 THR A 80 1.746 27.520 -12.017 1.00 25.00 O ATOM 1253 CG2 THR A 80 2.990 28.115 -13.966 1.00 25.00 C ATOM 0 H THR A 80 2.837 25.746 -11.952 1.00 25.00 H new ATOM 0 HA THR A 80 5.028 27.483 -12.497 1.00 25.00 H new ATOM 0 HB THR A 80 3.029 29.183 -12.101 1.00 25.00 H new ATOM 0 HG1 THR A 80 0.980 28.008 -12.385 1.00 25.00 H new ATOM 0 HG21 THR A 80 2.137 28.671 -14.356 1.00 25.00 H new ATOM 0 HG22 THR A 80 3.914 28.568 -14.326 1.00 25.00 H new ATOM 0 HG23 THR A 80 2.936 27.081 -14.307 1.00 25.00 H new ATOM 1261 N ASP A 81 3.643 27.539 -9.489 1.00 25.00 N ATOM 1262 CA ASP A 81 3.751 27.984 -8.083 1.00 25.00 C ATOM 1263 C ASP A 81 3.719 29.538 -7.958 1.00 25.00 C ATOM 1264 O ASP A 81 3.111 30.243 -8.738 1.00 25.00 O ATOM 1265 CB ASP A 81 4.950 27.287 -7.396 1.00 25.00 C ATOM 1266 CG ASP A 81 4.650 27.094 -5.936 1.00 25.00 C ATOM 1267 OD1 ASP A 81 4.453 25.974 -5.516 1.00 25.00 O ATOM 1268 OD2 ASP A 81 4.543 28.078 -5.244 1.00 25.00 O ATOM 1269 OXT ASP A 81 4.330 30.052 -6.916 1.00 25.00 O ATOM 0 H ASP A 81 2.878 26.882 -9.645 1.00 25.00 H new ATOM 0 HA ASP A 81 2.868 27.666 -7.529 1.00 25.00 H new ATOM 0 HB2 ASP A 81 5.144 26.324 -7.868 1.00 25.00 H new ATOM 0 HB3 ASP A 81 5.851 27.888 -7.516 1.00 25.00 H new TER 1275 ASP A 81