USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 975 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 103 MET CE :methyl -139:sc= -0.505 (180deg=-0.576) USER MOD Set 1.2: A 106 THR OG1 : rot -31:sc= 0.0127 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -1.15 K(o=-1.2,f=-0.4) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= 0.29 (180deg=0.192) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.656 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0434 X(o=-0.043,f=-0.23) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0464) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0.0446 K(o=0.045,f=0.66) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.0872 (180deg=-0.399) USER MOD Single : A 41 LYS NZ :NH3+ 144:sc= -0.0201 (180deg=-0.68) USER MOD Single : A 42 THR OG1 : rot -29:sc= 0.432 USER MOD Single : A 43 MET CE :methyl -144:sc= -1.45 (180deg=-5.47!) USER MOD Single : A 44 ASN : amide:sc= -1.7 K(o=-1.7,f=-0.026) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0.0448 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 63 LYS NZ :NH3+ -155:sc= -0.154 (180deg=-0.639) USER MOD Single : A 73 SER OG : rot -89:sc= 0.0816 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.105 K(o=-0.11,f=-0.73) USER MOD Single : A 95 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 96 THR OG1 : rot 58:sc= 0.587 USER MOD Single : A 97 ASN : amide:sc= -0.435 X(o=-0.44,f=-0.33!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 HIS : no HE2:sc= -0.748 K(o=-0.75,f=-0.079) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 3.568 -0.140 -1.388 1.00 51.01 N ATOM 2 CA SER A 3 2.370 -0.740 -0.812 1.00 61.25 C ATOM 3 C SER A 3 1.496 -1.358 -1.900 1.00 11.14 C ATOM 4 O SER A 3 1.338 -2.576 -1.967 1.00 23.11 O ATOM 5 CB SER A 3 1.572 0.308 -0.035 1.00 20.03 C ATOM 6 OG SER A 3 0.367 -0.240 0.472 1.00 64.55 O ATOM 0 HA SER A 3 2.681 -1.529 -0.128 1.00 61.25 H new ATOM 0 HB2 SER A 3 2.175 0.692 0.788 1.00 20.03 H new ATOM 0 HB3 SER A 3 1.345 1.153 -0.685 1.00 20.03 H new ATOM 0 HG SER A 3 -0.124 0.450 0.966 1.00 64.55 H new ATOM 12 N ASN A 4 0.930 -0.507 -2.749 1.00 75.12 N ATOM 13 CA ASN A 4 0.070 -0.968 -3.834 1.00 22.03 C ATOM 14 C ASN A 4 0.831 -1.899 -4.773 1.00 24.04 C ATOM 15 O ASN A 4 0.277 -2.873 -5.282 1.00 10.52 O ATOM 16 CB ASN A 4 -0.482 0.225 -4.617 1.00 62.30 C ATOM 17 CG ASN A 4 0.583 0.911 -5.451 1.00 75.03 C ATOM 18 OD1 ASN A 4 1.193 1.888 -5.017 1.00 60.03 O ATOM 19 ND2 ASN A 4 0.809 0.401 -6.656 1.00 44.23 N ATOM 0 H ASN A 4 1.051 0.505 -2.707 1.00 75.12 H new ATOM 0 HA ASN A 4 -0.760 -1.522 -3.396 1.00 22.03 H new ATOM 0 HB2 ASN A 4 -1.288 -0.113 -5.268 1.00 62.30 H new ATOM 0 HB3 ASN A 4 -0.914 0.944 -3.921 1.00 62.30 H new ATOM 0 HD21 ASN A 4 1.513 0.821 -7.264 1.00 44.23 H new ATOM 0 HD22 ASN A 4 0.279 -0.410 -6.974 1.00 44.23 H new ATOM 26 N ALA A 5 2.105 -1.593 -4.996 1.00 41.34 N ATOM 27 CA ALA A 5 2.943 -2.403 -5.871 1.00 43.14 C ATOM 28 C ALA A 5 3.950 -3.218 -5.067 1.00 4.41 C ATOM 29 O ALA A 5 4.907 -3.760 -5.618 1.00 42.54 O ATOM 30 CB ALA A 5 3.662 -1.519 -6.880 1.00 71.33 C ATOM 0 H ALA A 5 2.579 -0.790 -4.583 1.00 41.34 H new ATOM 0 HA ALA A 5 2.298 -3.099 -6.408 1.00 43.14 H new ATOM 0 HB1 ALA A 5 4.284 -2.137 -7.527 1.00 71.33 H new ATOM 0 HB2 ALA A 5 2.928 -0.985 -7.484 1.00 71.33 H new ATOM 0 HB3 ALA A 5 4.289 -0.800 -6.352 1.00 71.33 H new ATOM 36 N GLY A 6 3.728 -3.299 -3.758 1.00 65.23 N ATOM 37 CA GLY A 6 4.626 -4.049 -2.899 1.00 70.01 C ATOM 38 C GLY A 6 4.711 -5.512 -3.286 1.00 21.23 C ATOM 39 O GLY A 6 5.683 -6.192 -2.958 1.00 31.23 O ATOM 0 H GLY A 6 2.943 -2.859 -3.278 1.00 65.23 H new ATOM 0 HA2 GLY A 6 5.621 -3.606 -2.944 1.00 70.01 H new ATOM 0 HA3 GLY A 6 4.287 -3.969 -1.866 1.00 70.01 H new ATOM 43 N ALA A 7 3.690 -5.999 -3.984 1.00 1.43 N ATOM 44 CA ALA A 7 3.654 -7.390 -4.415 1.00 72.34 C ATOM 45 C ALA A 7 4.760 -7.681 -5.424 1.00 72.22 C ATOM 46 O ALA A 7 5.397 -8.733 -5.374 1.00 24.41 O ATOM 47 CB ALA A 7 2.293 -7.723 -5.010 1.00 65.21 C ATOM 0 H ALA A 7 2.877 -5.450 -4.263 1.00 1.43 H new ATOM 0 HA ALA A 7 3.821 -8.020 -3.541 1.00 72.34 H new ATOM 0 HB1 ALA A 7 2.280 -8.766 -5.328 1.00 65.21 H new ATOM 0 HB2 ALA A 7 1.519 -7.563 -4.260 1.00 65.21 H new ATOM 0 HB3 ALA A 7 2.104 -7.079 -5.869 1.00 65.21 H new ATOM 53 N ILE A 8 4.981 -6.743 -6.339 1.00 24.31 N ATOM 54 CA ILE A 8 6.011 -6.900 -7.359 1.00 12.11 C ATOM 55 C ILE A 8 7.404 -6.710 -6.768 1.00 34.21 C ATOM 56 O ILE A 8 8.348 -7.405 -7.142 1.00 73.21 O ATOM 57 CB ILE A 8 5.815 -5.900 -8.514 1.00 62.42 C ATOM 58 CG1 ILE A 8 4.432 -6.080 -9.144 1.00 65.03 C ATOM 59 CG2 ILE A 8 6.907 -6.078 -9.559 1.00 74.51 C ATOM 60 CD1 ILE A 8 3.372 -5.187 -8.539 1.00 61.10 C ATOM 0 H ILE A 8 4.461 -5.867 -6.395 1.00 24.31 H new ATOM 0 HA ILE A 8 5.919 -7.914 -7.747 1.00 12.11 H new ATOM 0 HB ILE A 8 5.882 -4.888 -8.115 1.00 62.42 H new ATOM 0 HG12 ILE A 8 4.499 -5.878 -10.213 1.00 65.03 H new ATOM 0 HG13 ILE A 8 4.125 -7.120 -9.035 1.00 65.03 H new ATOM 0 HG21 ILE A 8 6.755 -5.365 -10.369 1.00 74.51 H new ATOM 0 HG22 ILE A 8 7.881 -5.905 -9.101 1.00 74.51 H new ATOM 0 HG23 ILE A 8 6.868 -7.092 -9.957 1.00 74.51 H new ATOM 0 HD11 ILE A 8 2.418 -5.368 -9.034 1.00 61.10 H new ATOM 0 HD12 ILE A 8 3.276 -5.405 -7.475 1.00 61.10 H new ATOM 0 HD13 ILE A 8 3.657 -4.143 -8.671 1.00 61.10 H new ATOM 72 N ALA A 9 7.523 -5.765 -5.841 1.00 65.30 N ATOM 73 CA ALA A 9 8.800 -5.487 -5.195 1.00 10.42 C ATOM 74 C ALA A 9 9.209 -6.630 -4.272 1.00 43.41 C ATOM 75 O ALA A 9 10.397 -6.894 -4.083 1.00 72.21 O ATOM 76 CB ALA A 9 8.724 -4.180 -4.419 1.00 24.25 C ATOM 0 H ALA A 9 6.751 -5.180 -5.521 1.00 65.30 H new ATOM 0 HA ALA A 9 9.560 -5.393 -5.971 1.00 10.42 H new ATOM 0 HB1 ALA A 9 9.684 -3.984 -3.941 1.00 24.25 H new ATOM 0 HB2 ALA A 9 8.485 -3.365 -5.102 1.00 24.25 H new ATOM 0 HB3 ALA A 9 7.948 -4.254 -3.657 1.00 24.25 H new ATOM 82 N LYS A 10 8.219 -7.304 -3.699 1.00 33.44 N ATOM 83 CA LYS A 10 8.475 -8.420 -2.795 1.00 72.03 C ATOM 84 C LYS A 10 9.097 -9.594 -3.544 1.00 24.22 C ATOM 85 O LYS A 10 9.622 -10.526 -2.932 1.00 0.20 O ATOM 86 CB LYS A 10 7.176 -8.864 -2.119 1.00 13.21 C ATOM 87 CG LYS A 10 6.870 -8.111 -0.836 1.00 11.41 C ATOM 88 CD LYS A 10 7.796 -8.532 0.292 1.00 3.04 C ATOM 89 CE LYS A 10 7.302 -8.024 1.638 1.00 5.33 C ATOM 90 NZ LYS A 10 8.367 -8.082 2.678 1.00 42.12 N ATOM 0 H LYS A 10 7.231 -7.097 -3.844 1.00 33.44 H new ATOM 0 HA LYS A 10 9.178 -8.084 -2.033 1.00 72.03 H new ATOM 0 HB2 LYS A 10 6.349 -8.729 -2.816 1.00 13.21 H new ATOM 0 HB3 LYS A 10 7.236 -9.930 -1.899 1.00 13.21 H new ATOM 0 HG2 LYS A 10 6.970 -7.040 -1.009 1.00 11.41 H new ATOM 0 HG3 LYS A 10 5.835 -8.292 -0.545 1.00 11.41 H new ATOM 0 HD2 LYS A 10 7.870 -9.619 0.317 1.00 3.04 H new ATOM 0 HD3 LYS A 10 8.799 -8.149 0.103 1.00 3.04 H new ATOM 0 HE2 LYS A 10 6.953 -6.997 1.533 1.00 5.33 H new ATOM 0 HE3 LYS A 10 6.448 -8.620 1.960 1.00 5.33 H new ATOM 0 HZ1 LYS A 10 7.991 -7.727 3.580 1.00 42.12 H new ATOM 0 HZ2 LYS A 10 8.683 -9.066 2.797 1.00 42.12 H new ATOM 0 HZ3 LYS A 10 9.172 -7.493 2.384 1.00 42.12 H new ATOM 104 N LEU A 11 9.038 -9.543 -4.870 1.00 34.21 N ATOM 105 CA LEU A 11 9.597 -10.602 -5.702 1.00 63.44 C ATOM 106 C LEU A 11 11.107 -10.441 -5.847 1.00 41.42 C ATOM 107 O LEU A 11 11.820 -11.404 -6.129 1.00 61.14 O ATOM 108 CB LEU A 11 8.938 -10.596 -7.082 1.00 55.24 C ATOM 109 CG LEU A 11 7.435 -10.312 -7.107 1.00 21.43 C ATOM 110 CD1 LEU A 11 6.943 -10.167 -8.538 1.00 55.21 C ATOM 111 CD2 LEU A 11 6.673 -11.416 -6.388 1.00 15.10 C ATOM 0 H LEU A 11 8.608 -8.779 -5.392 1.00 34.21 H new ATOM 0 HA LEU A 11 9.397 -11.556 -5.215 1.00 63.44 H new ATOM 0 HB2 LEU A 11 9.439 -9.850 -7.698 1.00 55.24 H new ATOM 0 HB3 LEU A 11 9.112 -11.565 -7.550 1.00 55.24 H new ATOM 0 HG LEU A 11 7.253 -9.372 -6.586 1.00 21.43 H new ATOM 0 HD11 LEU A 11 5.872 -9.965 -8.536 1.00 55.21 H new ATOM 0 HD12 LEU A 11 7.467 -9.342 -9.021 1.00 55.21 H new ATOM 0 HD13 LEU A 11 7.137 -11.090 -9.085 1.00 55.21 H new ATOM 0 HD21 LEU A 11 5.605 -11.198 -6.415 1.00 15.10 H new ATOM 0 HD22 LEU A 11 6.862 -12.369 -6.882 1.00 15.10 H new ATOM 0 HD23 LEU A 11 7.006 -11.472 -5.352 1.00 15.10 H new ATOM 123 N ILE A 12 11.587 -9.218 -5.650 1.00 45.41 N ATOM 124 CA ILE A 12 13.013 -8.931 -5.756 1.00 13.05 C ATOM 125 C ILE A 12 13.831 -9.892 -4.901 1.00 24.35 C ATOM 126 O ILE A 12 14.712 -10.601 -5.389 1.00 75.20 O ATOM 127 CB ILE A 12 13.329 -7.485 -5.329 1.00 64.41 C ATOM 128 CG1 ILE A 12 13.200 -6.538 -6.524 1.00 21.23 C ATOM 129 CG2 ILE A 12 14.725 -7.404 -4.730 1.00 4.40 C ATOM 130 CD1 ILE A 12 14.243 -6.770 -7.594 1.00 61.14 C ATOM 0 H ILE A 12 11.010 -8.410 -5.416 1.00 45.41 H new ATOM 0 HA ILE A 12 13.285 -9.059 -6.804 1.00 13.05 H new ATOM 0 HB ILE A 12 12.610 -7.180 -4.569 1.00 64.41 H new ATOM 0 HG12 ILE A 12 12.209 -6.653 -6.963 1.00 21.23 H new ATOM 0 HG13 ILE A 12 13.275 -5.509 -6.172 1.00 21.23 H new ATOM 0 HG21 ILE A 12 14.934 -6.376 -4.433 1.00 4.40 H new ATOM 0 HG22 ILE A 12 14.784 -8.054 -3.857 1.00 4.40 H new ATOM 0 HG23 ILE A 12 15.458 -7.724 -5.471 1.00 4.40 H new ATOM 0 HD11 ILE A 12 14.091 -6.063 -8.410 1.00 61.14 H new ATOM 0 HD12 ILE A 12 15.237 -6.626 -7.170 1.00 61.14 H new ATOM 0 HD13 ILE A 12 14.154 -7.788 -7.974 1.00 61.14 H new ATOM 142 N PRO A 13 13.535 -9.920 -3.593 1.00 3.34 N ATOM 143 CA PRO A 13 14.231 -10.792 -2.642 1.00 11.13 C ATOM 144 C PRO A 13 13.891 -12.264 -2.850 1.00 2.24 C ATOM 145 O PRO A 13 14.692 -13.146 -2.540 1.00 70.43 O ATOM 146 CB PRO A 13 13.720 -10.312 -1.281 1.00 33.11 C ATOM 147 CG PRO A 13 12.390 -9.705 -1.568 1.00 71.14 C ATOM 148 CD PRO A 13 12.498 -9.102 -2.942 1.00 3.25 C ATOM 0 HA PRO A 13 15.314 -10.732 -2.751 1.00 11.13 H new ATOM 0 HB2 PRO A 13 13.634 -11.139 -0.576 1.00 33.11 H new ATOM 0 HB3 PRO A 13 14.400 -9.585 -0.837 1.00 33.11 H new ATOM 0 HG2 PRO A 13 11.602 -10.457 -1.533 1.00 71.14 H new ATOM 0 HG3 PRO A 13 12.139 -8.946 -0.827 1.00 71.14 H new ATOM 0 HD2 PRO A 13 11.551 -9.153 -3.479 1.00 3.25 H new ATOM 0 HD3 PRO A 13 12.784 -8.051 -2.898 1.00 3.25 H new ATOM 156 N LYS A 14 12.699 -12.522 -3.376 1.00 31.41 N ATOM 157 CA LYS A 14 12.253 -13.888 -3.627 1.00 52.43 C ATOM 158 C LYS A 14 13.241 -14.627 -4.523 1.00 45.34 C ATOM 159 O LYS A 14 13.492 -15.819 -4.338 1.00 53.44 O ATOM 160 CB LYS A 14 10.867 -13.882 -4.275 1.00 55.25 C ATOM 161 CG LYS A 14 9.728 -13.998 -3.277 1.00 72.21 C ATOM 162 CD LYS A 14 9.641 -15.397 -2.691 1.00 21.33 C ATOM 163 CE LYS A 14 8.905 -16.348 -3.623 1.00 3.41 C ATOM 164 NZ LYS A 14 8.848 -17.730 -3.073 1.00 63.41 N ATOM 0 H LYS A 14 12.024 -11.803 -3.637 1.00 31.41 H new ATOM 0 HA LYS A 14 12.198 -14.408 -2.670 1.00 52.43 H new ATOM 0 HB2 LYS A 14 10.746 -12.961 -4.846 1.00 55.25 H new ATOM 0 HB3 LYS A 14 10.803 -14.707 -4.984 1.00 55.25 H new ATOM 0 HG2 LYS A 14 9.871 -13.275 -2.474 1.00 72.21 H new ATOM 0 HG3 LYS A 14 8.787 -13.748 -3.767 1.00 72.21 H new ATOM 0 HD2 LYS A 14 10.645 -15.776 -2.502 1.00 21.33 H new ATOM 0 HD3 LYS A 14 9.128 -15.359 -1.730 1.00 21.33 H new ATOM 0 HE2 LYS A 14 7.892 -15.982 -3.790 1.00 3.41 H new ATOM 0 HE3 LYS A 14 9.402 -16.363 -4.593 1.00 3.41 H new ATOM 0 HZ1 LYS A 14 8.102 -18.267 -3.560 1.00 63.41 H new ATOM 0 HZ2 LYS A 14 9.764 -18.200 -3.219 1.00 63.41 H new ATOM 0 HZ3 LYS A 14 8.638 -17.690 -2.055 1.00 63.41 H new ATOM 178 N LEU A 15 13.802 -13.913 -5.493 1.00 52.43 N ATOM 179 CA LEU A 15 14.765 -14.501 -6.418 1.00 2.34 C ATOM 180 C LEU A 15 16.178 -14.437 -5.845 1.00 74.33 C ATOM 181 O LEU A 15 17.035 -15.249 -6.190 1.00 62.04 O ATOM 182 CB LEU A 15 14.716 -13.778 -7.765 1.00 13.11 C ATOM 183 CG LEU A 15 13.386 -13.850 -8.517 1.00 64.50 C ATOM 184 CD1 LEU A 15 13.183 -12.604 -9.364 1.00 3.54 C ATOM 185 CD2 LEU A 15 13.331 -15.100 -9.383 1.00 63.34 C ATOM 0 H LEU A 15 13.607 -12.926 -5.659 1.00 52.43 H new ATOM 0 HA LEU A 15 14.498 -15.548 -6.565 1.00 2.34 H new ATOM 0 HB2 LEU A 15 14.961 -12.729 -7.601 1.00 13.11 H new ATOM 0 HB3 LEU A 15 15.495 -14.191 -8.405 1.00 13.11 H new ATOM 0 HG LEU A 15 12.579 -13.902 -7.786 1.00 64.50 H new ATOM 0 HD11 LEU A 15 12.232 -12.674 -9.891 1.00 3.54 H new ATOM 0 HD12 LEU A 15 13.178 -11.724 -8.721 1.00 3.54 H new ATOM 0 HD13 LEU A 15 13.994 -12.520 -10.088 1.00 3.54 H new ATOM 0 HD21 LEU A 15 12.378 -15.135 -9.911 1.00 63.34 H new ATOM 0 HD22 LEU A 15 14.146 -15.078 -10.106 1.00 63.34 H new ATOM 0 HD23 LEU A 15 13.430 -15.984 -8.753 1.00 63.34 H new ATOM 197 N GLY A 16 16.412 -13.468 -4.966 1.00 53.41 N ATOM 198 CA GLY A 16 17.721 -13.318 -4.358 1.00 52.41 C ATOM 199 C GLY A 16 18.121 -14.528 -3.538 1.00 1.34 C ATOM 200 O GLY A 16 19.308 -14.800 -3.360 1.00 51.42 O ATOM 0 H GLY A 16 15.718 -12.784 -4.664 1.00 53.41 H new ATOM 0 HA2 GLY A 16 18.463 -13.150 -5.138 1.00 52.41 H new ATOM 0 HA3 GLY A 16 17.723 -12.434 -3.720 1.00 52.41 H new ATOM 204 N GLU A 17 17.128 -15.255 -3.035 1.00 1.33 N ATOM 205 CA GLU A 17 17.384 -16.441 -2.226 1.00 42.21 C ATOM 206 C GLU A 17 18.259 -17.436 -2.982 1.00 62.35 C ATOM 207 O GLU A 17 19.062 -18.154 -2.385 1.00 33.45 O ATOM 208 CB GLU A 17 16.066 -17.106 -1.825 1.00 0.13 C ATOM 209 CG GLU A 17 16.104 -17.751 -0.450 1.00 32.15 C ATOM 210 CD GLU A 17 16.303 -16.741 0.664 1.00 55.24 C ATOM 211 OE1 GLU A 17 15.348 -15.992 0.961 1.00 4.15 O ATOM 212 OE2 GLU A 17 17.411 -16.699 1.236 1.00 2.45 O ATOM 0 H GLU A 17 16.140 -15.044 -3.173 1.00 1.33 H new ATOM 0 HA GLU A 17 17.913 -16.128 -1.326 1.00 42.21 H new ATOM 0 HB2 GLU A 17 15.271 -16.360 -1.845 1.00 0.13 H new ATOM 0 HB3 GLU A 17 15.811 -17.864 -2.566 1.00 0.13 H new ATOM 0 HG2 GLU A 17 15.174 -18.293 -0.282 1.00 32.15 H new ATOM 0 HG3 GLU A 17 16.910 -18.484 -0.419 1.00 32.15 H new ATOM 219 N LEU A 18 18.098 -17.474 -4.301 1.00 2.05 N ATOM 220 CA LEU A 18 18.872 -18.381 -5.140 1.00 65.53 C ATOM 221 C LEU A 18 20.183 -17.735 -5.577 1.00 51.51 C ATOM 222 O LEU A 18 21.122 -18.421 -5.983 1.00 32.02 O ATOM 223 CB LEU A 18 18.058 -18.791 -6.369 1.00 2.22 C ATOM 224 CG LEU A 18 17.212 -20.056 -6.222 1.00 13.21 C ATOM 225 CD1 LEU A 18 18.100 -21.289 -6.163 1.00 40.34 C ATOM 226 CD2 LEU A 18 16.334 -19.969 -4.982 1.00 21.12 C ATOM 0 H LEU A 18 17.438 -16.887 -4.812 1.00 2.05 H new ATOM 0 HA LEU A 18 19.104 -19.269 -4.553 1.00 65.53 H new ATOM 0 HB2 LEU A 18 17.398 -17.965 -6.635 1.00 2.22 H new ATOM 0 HB3 LEU A 18 18.744 -18.932 -7.204 1.00 2.22 H new ATOM 0 HG LEU A 18 16.566 -20.141 -7.096 1.00 13.21 H new ATOM 0 HD11 LEU A 18 17.480 -22.179 -6.058 1.00 40.34 H new ATOM 0 HD12 LEU A 18 18.685 -21.360 -7.080 1.00 40.34 H new ATOM 0 HD13 LEU A 18 18.772 -21.213 -5.308 1.00 40.34 H new ATOM 0 HD21 LEU A 18 15.739 -20.878 -4.893 1.00 21.12 H new ATOM 0 HD22 LEU A 18 16.962 -19.859 -4.098 1.00 21.12 H new ATOM 0 HD23 LEU A 18 15.671 -19.108 -5.065 1.00 21.12 H new ATOM 238 N LEU A 19 20.241 -16.410 -5.490 1.00 33.22 N ATOM 239 CA LEU A 19 21.437 -15.670 -5.874 1.00 5.32 C ATOM 240 C LEU A 19 22.451 -15.645 -4.735 1.00 4.45 C ATOM 241 O LEU A 19 23.637 -15.393 -4.950 1.00 62.51 O ATOM 242 CB LEU A 19 21.070 -14.240 -6.276 1.00 35.41 C ATOM 243 CG LEU A 19 20.774 -14.015 -7.759 1.00 61.32 C ATOM 244 CD1 LEU A 19 22.050 -14.120 -8.580 1.00 23.44 C ATOM 245 CD2 LEU A 19 19.736 -15.013 -8.254 1.00 5.44 C ATOM 0 H LEU A 19 19.473 -15.827 -5.157 1.00 33.22 H new ATOM 0 HA LEU A 19 21.888 -16.176 -6.727 1.00 5.32 H new ATOM 0 HB2 LEU A 19 20.195 -13.935 -5.701 1.00 35.41 H new ATOM 0 HB3 LEU A 19 21.888 -13.581 -5.985 1.00 35.41 H new ATOM 0 HG LEU A 19 20.370 -13.010 -7.880 1.00 61.32 H new ATOM 0 HD11 LEU A 19 21.820 -13.957 -9.633 1.00 23.44 H new ATOM 0 HD12 LEU A 19 22.762 -13.367 -8.244 1.00 23.44 H new ATOM 0 HD13 LEU A 19 22.484 -15.112 -8.453 1.00 23.44 H new ATOM 0 HD21 LEU A 19 19.538 -14.838 -9.311 1.00 5.44 H new ATOM 0 HD22 LEU A 19 20.113 -16.027 -8.119 1.00 5.44 H new ATOM 0 HD23 LEU A 19 18.813 -14.890 -7.687 1.00 5.44 H new ATOM 257 N VAL A 20 21.977 -15.909 -3.521 1.00 41.41 N ATOM 258 CA VAL A 20 22.842 -15.920 -2.348 1.00 5.32 C ATOM 259 C VAL A 20 23.617 -17.229 -2.248 1.00 72.24 C ATOM 260 O VAL A 20 24.641 -17.307 -1.571 1.00 72.21 O ATOM 261 CB VAL A 20 22.035 -15.714 -1.053 1.00 34.14 C ATOM 262 CG1 VAL A 20 21.216 -14.435 -1.131 1.00 54.23 C ATOM 263 CG2 VAL A 20 21.139 -16.915 -0.788 1.00 10.24 C ATOM 0 H VAL A 20 20.998 -16.118 -3.325 1.00 41.41 H new ATOM 0 HA VAL A 20 23.544 -15.094 -2.465 1.00 5.32 H new ATOM 0 HB VAL A 20 22.733 -15.619 -0.222 1.00 34.14 H new ATOM 0 HG11 VAL A 20 20.653 -14.307 -0.207 1.00 54.23 H new ATOM 0 HG12 VAL A 20 21.883 -13.584 -1.271 1.00 54.23 H new ATOM 0 HG13 VAL A 20 20.525 -14.496 -1.972 1.00 54.23 H new ATOM 0 HG21 VAL A 20 20.576 -16.753 0.131 1.00 10.24 H new ATOM 0 HG22 VAL A 20 20.447 -17.043 -1.620 1.00 10.24 H new ATOM 0 HG23 VAL A 20 21.752 -17.810 -0.685 1.00 10.24 H new ATOM 273 N GLY A 21 23.120 -18.258 -2.929 1.00 51.54 N ATOM 274 CA GLY A 21 23.778 -19.551 -2.905 1.00 51.21 C ATOM 275 C GLY A 21 23.073 -20.543 -2.001 1.00 43.22 C ATOM 276 O GLY A 21 23.664 -21.537 -1.582 1.00 20.43 O ATOM 0 H GLY A 21 22.273 -18.219 -3.497 1.00 51.54 H new ATOM 0 HA2 GLY A 21 23.820 -19.953 -3.917 1.00 51.21 H new ATOM 0 HA3 GLY A 21 24.807 -19.425 -2.569 1.00 51.21 H new ATOM 280 N GLU A 22 21.807 -20.271 -1.699 1.00 45.15 N ATOM 281 CA GLU A 22 21.023 -21.147 -0.837 1.00 3.00 C ATOM 282 C GLU A 22 20.161 -22.095 -1.665 1.00 34.23 C ATOM 283 O GLU A 22 18.954 -21.894 -1.801 1.00 74.24 O ATOM 284 CB GLU A 22 20.139 -20.320 0.098 1.00 34.02 C ATOM 285 CG GLU A 22 20.806 -19.973 1.418 1.00 32.05 C ATOM 286 CD GLU A 22 19.806 -19.754 2.538 1.00 63.44 C ATOM 287 OE1 GLU A 22 18.696 -19.259 2.252 1.00 71.10 O ATOM 288 OE2 GLU A 22 20.134 -20.078 3.698 1.00 10.12 O ATOM 0 H GLU A 22 21.303 -19.452 -2.038 1.00 45.15 H new ATOM 0 HA GLU A 22 21.714 -21.741 -0.240 1.00 3.00 H new ATOM 0 HB2 GLU A 22 19.852 -19.398 -0.408 1.00 34.02 H new ATOM 0 HB3 GLU A 22 19.221 -20.872 0.299 1.00 34.02 H new ATOM 0 HG2 GLU A 22 21.489 -20.775 1.698 1.00 32.05 H new ATOM 0 HG3 GLU A 22 21.407 -19.072 1.291 1.00 32.05 H new ATOM 295 N TYR A 23 20.788 -23.128 -2.215 1.00 65.22 N ATOM 296 CA TYR A 23 20.080 -24.106 -3.032 1.00 70.31 C ATOM 297 C TYR A 23 20.968 -25.309 -3.335 1.00 45.01 C ATOM 298 O TYR A 23 22.195 -25.205 -3.338 1.00 63.13 O ATOM 299 CB TYR A 23 19.608 -23.465 -4.338 1.00 51.01 C ATOM 300 CG TYR A 23 20.738 -23.075 -5.264 1.00 73.12 C ATOM 301 CD1 TYR A 23 21.421 -21.878 -5.093 1.00 4.12 C ATOM 302 CD2 TYR A 23 21.122 -23.905 -6.310 1.00 41.15 C ATOM 303 CE1 TYR A 23 22.454 -21.518 -5.937 1.00 54.51 C ATOM 304 CE2 TYR A 23 22.154 -23.553 -7.159 1.00 22.42 C ATOM 305 CZ TYR A 23 22.816 -22.359 -6.968 1.00 45.44 C ATOM 306 OH TYR A 23 23.845 -22.004 -7.811 1.00 2.23 O ATOM 0 H TYR A 23 21.786 -23.310 -2.110 1.00 65.22 H new ATOM 0 HA TYR A 23 19.212 -24.451 -2.470 1.00 70.31 H new ATOM 0 HB2 TYR A 23 18.948 -24.160 -4.857 1.00 51.01 H new ATOM 0 HB3 TYR A 23 19.018 -22.579 -4.105 1.00 51.01 H new ATOM 0 HD1 TYR A 23 21.140 -21.217 -4.286 1.00 4.12 H new ATOM 0 HD2 TYR A 23 20.605 -24.841 -6.462 1.00 41.15 H new ATOM 0 HE1 TYR A 23 22.975 -20.583 -5.790 1.00 54.51 H new ATOM 0 HE2 TYR A 23 22.440 -24.209 -7.967 1.00 22.42 H new ATOM 0 HH TYR A 23 23.975 -22.706 -8.483 1.00 2.23 H new ATOM 316 N LYS A 24 20.340 -26.451 -3.590 1.00 73.34 N ATOM 317 CA LYS A 24 21.070 -27.675 -3.897 1.00 61.40 C ATOM 318 C LYS A 24 20.930 -28.038 -5.372 1.00 51.31 C ATOM 319 O LYS A 24 20.306 -29.042 -5.719 1.00 3.24 O ATOM 320 CB LYS A 24 20.563 -28.828 -3.027 1.00 52.13 C ATOM 321 CG LYS A 24 20.665 -28.556 -1.537 1.00 5.24 C ATOM 322 CD LYS A 24 20.856 -29.840 -0.747 1.00 62.02 C ATOM 323 CE LYS A 24 22.317 -30.261 -0.712 1.00 5.44 C ATOM 324 NZ LYS A 24 23.061 -29.590 0.390 1.00 1.44 N ATOM 0 H LYS A 24 19.325 -26.555 -3.590 1.00 73.34 H new ATOM 0 HA LYS A 24 22.125 -27.502 -3.682 1.00 61.40 H new ATOM 0 HB2 LYS A 24 19.523 -29.033 -3.280 1.00 52.13 H new ATOM 0 HB3 LYS A 24 21.131 -29.728 -3.263 1.00 52.13 H new ATOM 0 HG2 LYS A 24 21.500 -27.882 -1.346 1.00 5.24 H new ATOM 0 HG3 LYS A 24 19.762 -28.049 -1.196 1.00 5.24 H new ATOM 0 HD2 LYS A 24 20.492 -29.700 0.271 1.00 62.02 H new ATOM 0 HD3 LYS A 24 20.258 -30.635 -1.192 1.00 62.02 H new ATOM 0 HE2 LYS A 24 22.381 -31.342 -0.588 1.00 5.44 H new ATOM 0 HE3 LYS A 24 22.787 -30.022 -1.666 1.00 5.44 H new ATOM 0 HZ1 LYS A 24 24.053 -29.903 0.380 1.00 1.44 H new ATOM 0 HZ2 LYS A 24 23.022 -28.559 0.258 1.00 1.44 H new ATOM 0 HZ3 LYS A 24 22.628 -29.839 1.303 1.00 1.44 H new ATOM 338 N LEU A 25 21.514 -27.216 -6.237 1.00 1.55 N ATOM 339 CA LEU A 25 21.456 -27.450 -7.675 1.00 74.42 C ATOM 340 C LEU A 25 22.773 -27.069 -8.343 1.00 72.22 C ATOM 341 O LEU A 25 23.665 -26.509 -7.706 1.00 1.14 O ATOM 342 CB LEU A 25 20.307 -26.654 -8.296 1.00 13.44 C ATOM 343 CG LEU A 25 18.990 -26.658 -7.518 1.00 70.41 C ATOM 344 CD1 LEU A 25 18.066 -25.563 -8.027 1.00 74.32 C ATOM 345 CD2 LEU A 25 18.315 -28.019 -7.620 1.00 43.51 C ATOM 0 H LEU A 25 22.034 -26.381 -5.967 1.00 1.55 H new ATOM 0 HA LEU A 25 21.282 -28.514 -7.838 1.00 74.42 H new ATOM 0 HB2 LEU A 25 20.631 -25.620 -8.417 1.00 13.44 H new ATOM 0 HB3 LEU A 25 20.117 -27.047 -9.295 1.00 13.44 H new ATOM 0 HG LEU A 25 19.209 -26.461 -6.469 1.00 70.41 H new ATOM 0 HD11 LEU A 25 17.134 -25.581 -7.462 1.00 74.32 H new ATOM 0 HD12 LEU A 25 18.548 -24.593 -7.902 1.00 74.32 H new ATOM 0 HD13 LEU A 25 17.853 -25.728 -9.083 1.00 74.32 H new ATOM 0 HD21 LEU A 25 17.380 -28.004 -7.061 1.00 43.51 H new ATOM 0 HD22 LEU A 25 18.109 -28.245 -8.666 1.00 43.51 H new ATOM 0 HD23 LEU A 25 18.973 -28.783 -7.206 1.00 43.51 H new ATOM 357 N HIS A 26 22.887 -27.375 -9.632 1.00 2.12 N ATOM 358 CA HIS A 26 24.095 -27.062 -10.388 1.00 12.35 C ATOM 359 C HIS A 26 24.460 -25.587 -10.242 1.00 75.32 C ATOM 360 O HIS A 26 23.627 -24.766 -9.857 1.00 4.13 O ATOM 361 CB HIS A 26 23.902 -27.408 -11.864 1.00 71.12 C ATOM 362 CG HIS A 26 24.291 -28.814 -12.205 1.00 41.55 C ATOM 363 ND1 HIS A 26 25.534 -29.340 -11.922 1.00 73.23 N ATOM 364 CD2 HIS A 26 23.593 -29.804 -12.809 1.00 11.14 C ATOM 365 CE1 HIS A 26 25.583 -30.593 -12.338 1.00 65.11 C ATOM 366 NE2 HIS A 26 24.418 -30.899 -12.879 1.00 61.22 N ATOM 0 H HIS A 26 22.158 -27.839 -10.174 1.00 2.12 H new ATOM 0 HA HIS A 26 24.912 -27.662 -9.986 1.00 12.35 H new ATOM 0 HB2 HIS A 26 22.857 -27.254 -12.131 1.00 71.12 H new ATOM 0 HB3 HIS A 26 24.491 -26.720 -12.470 1.00 71.12 H new ATOM 0 HD2 HIS A 26 22.576 -29.744 -13.169 1.00 11.14 H new ATOM 0 HE1 HIS A 26 26.432 -31.255 -12.250 1.00 65.11 H new ATOM 0 HE2 HIS A 26 24.171 -31.802 -13.283 1.00 61.22 H new ATOM 374 N LYS A 27 25.709 -25.259 -10.552 1.00 50.44 N ATOM 375 CA LYS A 27 26.185 -23.884 -10.457 1.00 41.22 C ATOM 376 C LYS A 27 25.570 -23.018 -11.552 1.00 12.10 C ATOM 377 O LYS A 27 25.452 -21.803 -11.403 1.00 13.54 O ATOM 378 CB LYS A 27 27.712 -23.843 -10.557 1.00 54.24 C ATOM 379 CG LYS A 27 28.416 -24.539 -9.406 1.00 34.23 C ATOM 380 CD LYS A 27 28.567 -23.619 -8.206 1.00 50.23 C ATOM 381 CE LYS A 27 28.664 -24.406 -6.908 1.00 54.04 C ATOM 382 NZ LYS A 27 29.823 -25.340 -6.911 1.00 61.44 N ATOM 0 H LYS A 27 26.411 -25.927 -10.871 1.00 50.44 H new ATOM 0 HA LYS A 27 25.879 -23.486 -9.489 1.00 41.22 H new ATOM 0 HB2 LYS A 27 28.019 -24.308 -11.494 1.00 54.24 H new ATOM 0 HB3 LYS A 27 28.037 -22.803 -10.595 1.00 54.24 H new ATOM 0 HG2 LYS A 27 27.853 -25.426 -9.117 1.00 34.23 H new ATOM 0 HG3 LYS A 27 29.399 -24.878 -9.732 1.00 34.23 H new ATOM 0 HD2 LYS A 27 29.459 -23.005 -8.327 1.00 50.23 H new ATOM 0 HD3 LYS A 27 27.716 -22.940 -8.158 1.00 50.23 H new ATOM 0 HE2 LYS A 27 28.757 -23.715 -6.070 1.00 54.04 H new ATOM 0 HE3 LYS A 27 27.744 -24.970 -6.756 1.00 54.04 H new ATOM 0 HZ1 LYS A 27 29.915 -25.782 -5.974 1.00 61.44 H new ATOM 0 HZ2 LYS A 27 29.673 -26.077 -7.629 1.00 61.44 H new ATOM 0 HZ3 LYS A 27 30.692 -24.814 -7.132 1.00 61.44 H new ATOM 396 N GLY A 28 25.178 -23.653 -12.653 1.00 11.14 N ATOM 397 CA GLY A 28 24.578 -22.925 -13.755 1.00 43.34 C ATOM 398 C GLY A 28 23.131 -22.561 -13.491 1.00 74.22 C ATOM 399 O GLY A 28 22.605 -21.611 -14.072 1.00 25.13 O ATOM 0 H GLY A 28 25.266 -24.658 -12.801 1.00 11.14 H new ATOM 0 HA2 GLY A 28 25.150 -22.016 -13.940 1.00 43.34 H new ATOM 0 HA3 GLY A 28 24.638 -23.529 -14.660 1.00 43.34 H new ATOM 403 N VAL A 29 22.482 -23.320 -12.613 1.00 62.13 N ATOM 404 CA VAL A 29 21.086 -23.073 -12.274 1.00 31.43 C ATOM 405 C VAL A 29 20.871 -21.625 -11.848 1.00 64.23 C ATOM 406 O VAL A 29 19.909 -20.980 -12.264 1.00 72.13 O ATOM 407 CB VAL A 29 20.610 -24.005 -11.143 1.00 42.10 C ATOM 408 CG1 VAL A 29 19.150 -23.739 -10.811 1.00 32.30 C ATOM 409 CG2 VAL A 29 20.822 -25.461 -11.529 1.00 35.23 C ATOM 0 H VAL A 29 22.901 -24.111 -12.124 1.00 62.13 H new ATOM 0 HA VAL A 29 20.502 -23.275 -13.172 1.00 31.43 H new ATOM 0 HB VAL A 29 21.203 -23.799 -10.252 1.00 42.10 H new ATOM 0 HG11 VAL A 29 18.832 -24.406 -10.010 1.00 32.30 H new ATOM 0 HG12 VAL A 29 19.033 -22.704 -10.489 1.00 32.30 H new ATOM 0 HG13 VAL A 29 18.538 -23.915 -11.695 1.00 32.30 H new ATOM 0 HG21 VAL A 29 20.481 -26.106 -10.719 1.00 35.23 H new ATOM 0 HG22 VAL A 29 20.256 -25.684 -12.433 1.00 35.23 H new ATOM 0 HG23 VAL A 29 21.882 -25.638 -11.712 1.00 35.23 H new ATOM 419 N LYS A 30 21.775 -21.119 -11.017 1.00 3.35 N ATOM 420 CA LYS A 30 21.688 -19.745 -10.535 1.00 33.33 C ATOM 421 C LYS A 30 21.606 -18.764 -11.700 1.00 33.23 C ATOM 422 O LYS A 30 20.937 -17.734 -11.612 1.00 20.13 O ATOM 423 CB LYS A 30 22.897 -19.413 -9.658 1.00 42.51 C ATOM 424 CG LYS A 30 24.210 -19.374 -10.422 1.00 33.14 C ATOM 425 CD LYS A 30 24.621 -17.949 -10.753 1.00 35.21 C ATOM 426 CE LYS A 30 25.483 -17.348 -9.654 1.00 22.11 C ATOM 427 NZ LYS A 30 26.900 -17.796 -9.753 1.00 72.40 N ATOM 0 H LYS A 30 22.577 -21.640 -10.663 1.00 3.35 H new ATOM 0 HA LYS A 30 20.779 -19.652 -9.940 1.00 33.33 H new ATOM 0 HB2 LYS A 30 22.735 -18.446 -9.181 1.00 42.51 H new ATOM 0 HB3 LYS A 30 22.972 -20.153 -8.861 1.00 42.51 H new ATOM 0 HG2 LYS A 30 24.991 -19.850 -9.829 1.00 33.14 H new ATOM 0 HG3 LYS A 30 24.113 -19.949 -11.343 1.00 33.14 H new ATOM 0 HD2 LYS A 30 25.170 -17.937 -11.695 1.00 35.21 H new ATOM 0 HD3 LYS A 30 23.731 -17.336 -10.895 1.00 35.21 H new ATOM 0 HE2 LYS A 30 25.441 -16.260 -9.713 1.00 22.11 H new ATOM 0 HE3 LYS A 30 25.080 -17.630 -8.681 1.00 22.11 H new ATOM 0 HZ1 LYS A 30 27.455 -17.365 -8.986 1.00 72.40 H new ATOM 0 HZ2 LYS A 30 26.943 -18.832 -9.671 1.00 72.40 H new ATOM 0 HZ3 LYS A 30 27.293 -17.505 -10.671 1.00 72.40 H new ATOM 441 N LYS A 31 22.289 -19.091 -12.792 1.00 13.14 N ATOM 442 CA LYS A 31 22.291 -18.240 -13.976 1.00 64.50 C ATOM 443 C LYS A 31 20.869 -17.970 -14.455 1.00 74.52 C ATOM 444 O LYS A 31 20.582 -16.912 -15.012 1.00 40.15 O ATOM 445 CB LYS A 31 23.103 -18.894 -15.097 1.00 32.33 C ATOM 446 CG LYS A 31 24.496 -19.322 -14.669 1.00 42.41 C ATOM 447 CD LYS A 31 25.343 -19.736 -15.861 1.00 12.00 C ATOM 448 CE LYS A 31 24.731 -20.919 -16.595 1.00 33.31 C ATOM 449 NZ LYS A 31 25.771 -21.786 -17.214 1.00 61.13 N ATOM 0 H LYS A 31 22.848 -19.939 -12.882 1.00 13.14 H new ATOM 0 HA LYS A 31 22.751 -17.289 -13.709 1.00 64.50 H new ATOM 0 HB2 LYS A 31 22.562 -19.765 -15.466 1.00 32.33 H new ATOM 0 HB3 LYS A 31 23.186 -18.195 -15.929 1.00 32.33 H new ATOM 0 HG2 LYS A 31 24.984 -18.502 -14.142 1.00 42.41 H new ATOM 0 HG3 LYS A 31 24.423 -20.153 -13.967 1.00 42.41 H new ATOM 0 HD2 LYS A 31 25.445 -18.894 -16.546 1.00 12.00 H new ATOM 0 HD3 LYS A 31 26.346 -19.995 -15.523 1.00 12.00 H new ATOM 0 HE2 LYS A 31 24.134 -21.508 -15.899 1.00 33.31 H new ATOM 0 HE3 LYS A 31 24.054 -20.556 -17.368 1.00 33.31 H new ATOM 0 HZ1 LYS A 31 25.313 -22.581 -17.705 1.00 61.13 H new ATOM 0 HZ2 LYS A 31 26.325 -21.230 -17.897 1.00 61.13 H new ATOM 0 HZ3 LYS A 31 26.402 -22.153 -16.474 1.00 61.13 H new ATOM 463 N ASN A 32 19.981 -18.935 -14.233 1.00 2.52 N ATOM 464 CA ASN A 32 18.588 -18.800 -14.641 1.00 53.34 C ATOM 465 C ASN A 32 17.830 -17.874 -13.695 1.00 4.54 C ATOM 466 O ASN A 32 16.941 -17.133 -14.115 1.00 10.35 O ATOM 467 CB ASN A 32 17.911 -20.171 -14.681 1.00 30.43 C ATOM 468 CG ASN A 32 16.788 -20.233 -15.698 1.00 63.33 C ATOM 469 OD1 ASN A 32 15.769 -19.558 -15.556 1.00 73.21 O ATOM 470 ND2 ASN A 32 16.971 -21.046 -16.732 1.00 64.32 N ATOM 0 H ASN A 32 20.202 -19.818 -13.773 1.00 2.52 H new ATOM 0 HA ASN A 32 18.570 -18.364 -15.640 1.00 53.34 H new ATOM 0 HB2 ASN A 32 18.654 -20.933 -14.917 1.00 30.43 H new ATOM 0 HB3 ASN A 32 17.516 -20.407 -13.693 1.00 30.43 H new ATOM 0 HD21 ASN A 32 16.250 -21.129 -17.449 1.00 64.32 H new ATOM 0 HD22 ASN A 32 17.832 -21.587 -16.809 1.00 64.32 H new ATOM 477 N ILE A 33 18.190 -17.921 -12.416 1.00 73.03 N ATOM 478 CA ILE A 33 17.546 -17.085 -11.411 1.00 34.33 C ATOM 479 C ILE A 33 17.997 -15.634 -11.531 1.00 50.20 C ATOM 480 O ILE A 33 17.174 -14.722 -11.609 1.00 31.41 O ATOM 481 CB ILE A 33 17.844 -17.588 -9.986 1.00 4.32 C ATOM 482 CG1 ILE A 33 17.592 -19.094 -9.889 1.00 43.31 C ATOM 483 CG2 ILE A 33 16.996 -16.837 -8.971 1.00 13.24 C ATOM 484 CD1 ILE A 33 16.180 -19.494 -10.252 1.00 35.42 C ATOM 0 H ILE A 33 18.924 -18.529 -12.052 1.00 73.03 H new ATOM 0 HA ILE A 33 16.473 -17.145 -11.592 1.00 34.33 H new ATOM 0 HB ILE A 33 18.894 -17.400 -9.763 1.00 4.32 H new ATOM 0 HG12 ILE A 33 18.289 -19.614 -10.546 1.00 43.31 H new ATOM 0 HG13 ILE A 33 17.805 -19.425 -8.873 1.00 43.31 H new ATOM 0 HG21 ILE A 33 17.218 -17.204 -7.969 1.00 13.24 H new ATOM 0 HG22 ILE A 33 17.221 -15.772 -9.026 1.00 13.24 H new ATOM 0 HG23 ILE A 33 15.940 -16.996 -9.190 1.00 13.24 H new ATOM 0 HD11 ILE A 33 16.073 -20.575 -10.161 1.00 35.42 H new ATOM 0 HD12 ILE A 33 15.478 -19.002 -9.579 1.00 35.42 H new ATOM 0 HD13 ILE A 33 15.969 -19.194 -11.278 1.00 35.42 H new ATOM 496 N GLU A 34 19.310 -15.427 -11.547 1.00 62.53 N ATOM 497 CA GLU A 34 19.871 -14.086 -11.659 1.00 53.05 C ATOM 498 C GLU A 34 19.270 -13.343 -12.849 1.00 71.03 C ATOM 499 O GLU A 34 19.148 -12.118 -12.833 1.00 22.03 O ATOM 500 CB GLU A 34 21.392 -14.155 -11.803 1.00 65.42 C ATOM 501 CG GLU A 34 21.854 -14.624 -13.173 1.00 52.51 C ATOM 502 CD GLU A 34 23.364 -14.625 -13.311 1.00 52.43 C ATOM 503 OE1 GLU A 34 24.021 -15.445 -12.638 1.00 22.12 O ATOM 504 OE2 GLU A 34 23.888 -13.804 -14.094 1.00 32.31 O ATOM 0 H GLU A 34 20.005 -16.171 -11.484 1.00 62.53 H new ATOM 0 HA GLU A 34 19.624 -13.540 -10.749 1.00 53.05 H new ATOM 0 HB2 GLU A 34 21.812 -13.169 -11.605 1.00 65.42 H new ATOM 0 HB3 GLU A 34 21.790 -14.829 -11.044 1.00 65.42 H new ATOM 0 HG2 GLU A 34 21.476 -15.630 -13.355 1.00 52.51 H new ATOM 0 HG3 GLU A 34 21.423 -13.978 -13.938 1.00 52.51 H new ATOM 511 N ASP A 35 18.897 -14.093 -13.880 1.00 73.12 N ATOM 512 CA ASP A 35 18.308 -13.507 -15.079 1.00 20.02 C ATOM 513 C ASP A 35 16.902 -12.987 -14.795 1.00 43.13 C ATOM 514 O ASP A 35 16.504 -11.936 -15.299 1.00 43.30 O ATOM 515 CB ASP A 35 18.266 -14.537 -16.208 1.00 72.53 C ATOM 516 CG ASP A 35 19.561 -14.589 -16.994 1.00 4.31 C ATOM 517 OD1 ASP A 35 20.176 -13.521 -17.194 1.00 41.50 O ATOM 518 OD2 ASP A 35 19.960 -15.697 -17.409 1.00 63.14 O ATOM 0 H ASP A 35 18.992 -15.108 -13.910 1.00 73.12 H new ATOM 0 HA ASP A 35 18.931 -12.667 -15.387 1.00 20.02 H new ATOM 0 HB2 ASP A 35 18.059 -15.522 -15.790 1.00 72.53 H new ATOM 0 HB3 ASP A 35 17.444 -14.298 -16.883 1.00 72.53 H new ATOM 523 N LEU A 36 16.154 -13.730 -13.987 1.00 41.30 N ATOM 524 CA LEU A 36 14.791 -13.344 -13.637 1.00 24.42 C ATOM 525 C LEU A 36 14.788 -12.111 -12.740 1.00 52.50 C ATOM 526 O LEU A 36 13.953 -11.218 -12.897 1.00 23.22 O ATOM 527 CB LEU A 36 14.078 -14.501 -12.935 1.00 33.11 C ATOM 528 CG LEU A 36 13.237 -15.413 -13.829 1.00 41.15 C ATOM 529 CD1 LEU A 36 14.126 -16.395 -14.576 1.00 62.30 C ATOM 530 CD2 LEU A 36 12.194 -16.154 -13.006 1.00 23.24 C ATOM 0 H LEU A 36 16.468 -14.603 -13.562 1.00 41.30 H new ATOM 0 HA LEU A 36 14.260 -13.102 -14.557 1.00 24.42 H new ATOM 0 HB2 LEU A 36 14.828 -15.111 -12.431 1.00 33.11 H new ATOM 0 HB3 LEU A 36 13.431 -14.087 -12.162 1.00 33.11 H new ATOM 0 HG LEU A 36 12.719 -14.794 -14.561 1.00 41.15 H new ATOM 0 HD11 LEU A 36 13.510 -17.036 -15.207 1.00 62.30 H new ATOM 0 HD12 LEU A 36 14.833 -15.846 -15.197 1.00 62.30 H new ATOM 0 HD13 LEU A 36 14.673 -17.008 -13.860 1.00 62.30 H new ATOM 0 HD21 LEU A 36 11.605 -16.798 -13.659 1.00 23.24 H new ATOM 0 HD22 LEU A 36 12.691 -16.762 -12.250 1.00 23.24 H new ATOM 0 HD23 LEU A 36 11.537 -15.434 -12.518 1.00 23.24 H new ATOM 542 N LEU A 37 15.727 -12.065 -11.801 1.00 73.24 N ATOM 543 CA LEU A 37 15.834 -10.939 -10.880 1.00 71.21 C ATOM 544 C LEU A 37 16.270 -9.675 -11.614 1.00 23.12 C ATOM 545 O LEU A 37 15.857 -8.568 -11.267 1.00 30.53 O ATOM 546 CB LEU A 37 16.827 -11.262 -9.762 1.00 74.21 C ATOM 547 CG LEU A 37 17.220 -10.095 -8.856 1.00 44.12 C ATOM 548 CD1 LEU A 37 15.995 -9.521 -8.162 1.00 40.34 C ATOM 549 CD2 LEU A 37 18.256 -10.539 -7.833 1.00 75.52 C ATOM 0 H LEU A 37 16.425 -12.795 -11.658 1.00 73.24 H new ATOM 0 HA LEU A 37 14.851 -10.763 -10.444 1.00 71.21 H new ATOM 0 HB2 LEU A 37 16.401 -12.050 -9.141 1.00 74.21 H new ATOM 0 HB3 LEU A 37 17.733 -11.666 -10.214 1.00 74.21 H new ATOM 0 HG LEU A 37 17.661 -9.313 -9.474 1.00 44.12 H new ATOM 0 HD11 LEU A 37 16.295 -8.692 -7.522 1.00 40.34 H new ATOM 0 HD12 LEU A 37 15.287 -9.164 -8.910 1.00 40.34 H new ATOM 0 HD13 LEU A 37 15.524 -10.295 -7.556 1.00 40.34 H new ATOM 0 HD21 LEU A 37 18.524 -9.695 -7.197 1.00 75.52 H new ATOM 0 HD22 LEU A 37 17.842 -11.339 -7.219 1.00 75.52 H new ATOM 0 HD23 LEU A 37 19.145 -10.901 -8.349 1.00 75.52 H new ATOM 561 N LYS A 38 17.107 -9.847 -12.632 1.00 32.03 N ATOM 562 CA LYS A 38 17.597 -8.721 -13.418 1.00 24.41 C ATOM 563 C LYS A 38 16.459 -8.056 -14.184 1.00 51.42 C ATOM 564 O LYS A 38 16.357 -6.830 -14.220 1.00 42.23 O ATOM 565 CB LYS A 38 18.679 -9.188 -14.395 1.00 3.04 C ATOM 566 CG LYS A 38 20.079 -9.169 -13.806 1.00 23.52 C ATOM 567 CD LYS A 38 21.115 -9.633 -14.816 1.00 43.01 C ATOM 568 CE LYS A 38 21.311 -8.609 -15.924 1.00 31.04 C ATOM 569 NZ LYS A 38 21.813 -7.310 -15.396 1.00 33.12 N ATOM 0 H LYS A 38 17.460 -10.756 -12.932 1.00 32.03 H new ATOM 0 HA LYS A 38 18.025 -7.990 -12.732 1.00 24.41 H new ATOM 0 HB2 LYS A 38 18.446 -10.200 -14.725 1.00 3.04 H new ATOM 0 HB3 LYS A 38 18.657 -8.552 -15.280 1.00 3.04 H new ATOM 0 HG2 LYS A 38 20.321 -8.160 -13.473 1.00 23.52 H new ATOM 0 HG3 LYS A 38 20.113 -9.812 -12.926 1.00 23.52 H new ATOM 0 HD2 LYS A 38 22.064 -9.810 -14.310 1.00 43.01 H new ATOM 0 HD3 LYS A 38 20.803 -10.584 -15.249 1.00 43.01 H new ATOM 0 HE2 LYS A 38 22.015 -8.999 -16.659 1.00 31.04 H new ATOM 0 HE3 LYS A 38 20.366 -8.449 -16.442 1.00 31.04 H new ATOM 0 HZ1 LYS A 38 22.234 -6.759 -16.171 1.00 33.12 H new ATOM 0 HZ2 LYS A 38 21.023 -6.776 -14.981 1.00 33.12 H new ATOM 0 HZ3 LYS A 38 22.533 -7.487 -14.667 1.00 33.12 H new ATOM 583 N GLU A 39 15.605 -8.872 -14.794 1.00 12.23 N ATOM 584 CA GLU A 39 14.473 -8.360 -15.558 1.00 64.12 C ATOM 585 C GLU A 39 13.470 -7.662 -14.644 1.00 44.13 C ATOM 586 O GLU A 39 12.903 -6.628 -15.001 1.00 20.41 O ATOM 587 CB GLU A 39 13.785 -9.498 -16.315 1.00 55.40 C ATOM 588 CG GLU A 39 14.710 -10.250 -17.257 1.00 14.02 C ATOM 589 CD GLU A 39 14.393 -11.731 -17.326 1.00 33.20 C ATOM 590 OE1 GLU A 39 13.307 -12.128 -16.853 1.00 10.33 O ATOM 591 OE2 GLU A 39 15.230 -12.494 -17.853 1.00 14.44 O ATOM 0 H GLU A 39 15.675 -9.889 -14.774 1.00 12.23 H new ATOM 0 HA GLU A 39 14.851 -7.632 -16.276 1.00 64.12 H new ATOM 0 HB2 GLU A 39 13.365 -10.200 -15.595 1.00 55.40 H new ATOM 0 HB3 GLU A 39 12.951 -9.091 -16.887 1.00 55.40 H new ATOM 0 HG2 GLU A 39 14.634 -9.819 -18.255 1.00 14.02 H new ATOM 0 HG3 GLU A 39 15.741 -10.118 -16.930 1.00 14.02 H new ATOM 598 N LEU A 40 13.256 -8.234 -13.465 1.00 4.24 N ATOM 599 CA LEU A 40 12.321 -7.668 -12.498 1.00 45.33 C ATOM 600 C LEU A 40 12.914 -6.434 -11.826 1.00 2.43 C ATOM 601 O LEU A 40 12.187 -5.544 -11.383 1.00 73.25 O ATOM 602 CB LEU A 40 11.955 -8.712 -11.442 1.00 13.40 C ATOM 603 CG LEU A 40 10.723 -9.566 -11.742 1.00 72.23 C ATOM 604 CD1 LEU A 40 9.456 -8.731 -11.642 1.00 1.43 C ATOM 605 CD2 LEU A 40 10.837 -10.201 -13.121 1.00 1.04 C ATOM 0 H LEU A 40 13.717 -9.089 -13.155 1.00 4.24 H new ATOM 0 HA LEU A 40 11.419 -7.370 -13.033 1.00 45.33 H new ATOM 0 HB2 LEU A 40 12.808 -9.376 -11.305 1.00 13.40 H new ATOM 0 HB3 LEU A 40 11.795 -8.200 -10.493 1.00 13.40 H new ATOM 0 HG LEU A 40 10.668 -10.362 -11.000 1.00 72.23 H new ATOM 0 HD11 LEU A 40 8.590 -9.356 -11.859 1.00 1.43 H new ATOM 0 HD12 LEU A 40 9.367 -8.324 -10.635 1.00 1.43 H new ATOM 0 HD13 LEU A 40 9.502 -7.913 -12.361 1.00 1.43 H new ATOM 0 HD21 LEU A 40 9.951 -10.805 -13.318 1.00 1.04 H new ATOM 0 HD22 LEU A 40 10.918 -9.419 -13.876 1.00 1.04 H new ATOM 0 HD23 LEU A 40 11.724 -10.834 -13.158 1.00 1.04 H new ATOM 617 N LYS A 41 14.240 -6.385 -11.754 1.00 0.24 N ATOM 618 CA LYS A 41 14.932 -5.259 -11.139 1.00 4.44 C ATOM 619 C LYS A 41 14.618 -3.960 -11.873 1.00 52.55 C ATOM 620 O LYS A 41 14.584 -2.886 -11.272 1.00 12.44 O ATOM 621 CB LYS A 41 16.443 -5.502 -11.136 1.00 22.24 C ATOM 622 CG LYS A 41 16.950 -6.165 -9.866 1.00 71.14 C ATOM 623 CD LYS A 41 17.119 -5.158 -8.741 1.00 24.30 C ATOM 624 CE LYS A 41 18.525 -4.578 -8.719 1.00 41.24 C ATOM 625 NZ LYS A 41 18.632 -3.353 -9.560 1.00 24.13 N ATOM 0 H LYS A 41 14.857 -7.113 -12.114 1.00 0.24 H new ATOM 0 HA LYS A 41 14.582 -5.169 -10.111 1.00 4.44 H new ATOM 0 HB2 LYS A 41 16.704 -6.126 -11.991 1.00 22.24 H new ATOM 0 HB3 LYS A 41 16.956 -4.549 -11.268 1.00 22.24 H new ATOM 0 HG2 LYS A 41 16.252 -6.943 -9.557 1.00 71.14 H new ATOM 0 HG3 LYS A 41 17.904 -6.653 -10.065 1.00 71.14 H new ATOM 0 HD2 LYS A 41 16.394 -4.353 -8.860 1.00 24.30 H new ATOM 0 HD3 LYS A 41 16.908 -5.639 -7.786 1.00 24.30 H new ATOM 0 HE2 LYS A 41 18.804 -4.340 -7.693 1.00 41.24 H new ATOM 0 HE3 LYS A 41 19.232 -5.327 -9.076 1.00 41.24 H new ATOM 0 HZ1 LYS A 41 19.283 -2.678 -9.110 1.00 24.13 H new ATOM 0 HZ2 LYS A 41 18.995 -3.608 -10.501 1.00 24.13 H new ATOM 0 HZ3 LYS A 41 17.693 -2.916 -9.658 1.00 24.13 H new ATOM 639 N THR A 42 14.387 -4.064 -13.179 1.00 15.05 N ATOM 640 CA THR A 42 14.074 -2.898 -13.995 1.00 43.02 C ATOM 641 C THR A 42 12.590 -2.559 -13.924 1.00 52.42 C ATOM 642 O THR A 42 12.216 -1.396 -13.773 1.00 0.01 O ATOM 643 CB THR A 42 14.468 -3.121 -15.467 1.00 64.44 C ATOM 644 OG1 THR A 42 13.792 -4.272 -15.986 1.00 50.25 O ATOM 645 CG2 THR A 42 15.972 -3.307 -15.603 1.00 2.12 C ATOM 0 H THR A 42 14.411 -4.944 -13.693 1.00 15.05 H new ATOM 0 HA THR A 42 14.653 -2.067 -13.593 1.00 43.02 H new ATOM 0 HB THR A 42 14.174 -2.239 -16.036 1.00 64.44 H new ATOM 0 HG1 THR A 42 13.627 -4.910 -15.260 1.00 50.25 H new ATOM 0 HG21 THR A 42 16.226 -3.463 -16.651 1.00 2.12 H new ATOM 0 HG22 THR A 42 16.483 -2.418 -15.234 1.00 2.12 H new ATOM 0 HG23 THR A 42 16.286 -4.174 -15.021 1.00 2.12 H new ATOM 653 N MET A 43 11.748 -3.581 -14.034 1.00 31.11 N ATOM 654 CA MET A 43 10.303 -3.390 -13.980 1.00 22.10 C ATOM 655 C MET A 43 9.876 -2.851 -12.618 1.00 65.13 C ATOM 656 O MET A 43 9.119 -1.886 -12.532 1.00 41.44 O ATOM 657 CB MET A 43 9.582 -4.708 -14.269 1.00 31.03 C ATOM 658 CG MET A 43 9.992 -5.350 -15.584 1.00 25.11 C ATOM 659 SD MET A 43 9.476 -7.073 -15.707 1.00 22.34 S ATOM 660 CE MET A 43 9.531 -7.318 -17.480 1.00 51.31 C ATOM 0 H MET A 43 12.041 -4.550 -14.161 1.00 31.11 H new ATOM 0 HA MET A 43 10.029 -2.660 -14.742 1.00 22.10 H new ATOM 0 HB2 MET A 43 9.780 -5.407 -13.456 1.00 31.03 H new ATOM 0 HB3 MET A 43 8.507 -4.529 -14.281 1.00 31.03 H new ATOM 0 HG2 MET A 43 9.559 -4.785 -16.410 1.00 25.11 H new ATOM 0 HG3 MET A 43 11.075 -5.291 -15.690 1.00 25.11 H new ATOM 0 HE1 MET A 43 8.719 -7.979 -17.781 1.00 51.31 H new ATOM 0 HE2 MET A 43 9.423 -6.357 -17.984 1.00 51.31 H new ATOM 0 HE3 MET A 43 10.485 -7.767 -17.756 1.00 51.31 H new ATOM 670 N ASN A 44 10.368 -3.482 -11.557 1.00 33.14 N ATOM 671 CA ASN A 44 10.036 -3.066 -10.199 1.00 10.31 C ATOM 672 C ASN A 44 10.341 -1.585 -9.994 1.00 50.11 C ATOM 673 O ASN A 44 9.545 -0.852 -9.407 1.00 64.30 O ATOM 674 CB ASN A 44 10.814 -3.903 -9.182 1.00 33.51 C ATOM 675 CG ASN A 44 10.727 -3.336 -7.778 1.00 50.02 C ATOM 676 OD1 ASN A 44 11.732 -3.233 -7.075 1.00 63.01 O ATOM 677 ND2 ASN A 44 9.521 -2.965 -7.364 1.00 2.32 N ATOM 0 H ASN A 44 10.998 -4.283 -11.611 1.00 33.14 H new ATOM 0 HA ASN A 44 8.968 -3.224 -10.049 1.00 10.31 H new ATOM 0 HB2 ASN A 44 10.428 -4.922 -9.184 1.00 33.51 H new ATOM 0 HB3 ASN A 44 11.860 -3.958 -9.485 1.00 33.51 H new ATOM 0 HD21 ASN A 44 9.400 -2.576 -6.429 1.00 2.32 H new ATOM 0 HD22 ASN A 44 8.716 -3.069 -7.981 1.00 2.32 H new ATOM 684 N ALA A 45 11.498 -1.152 -10.483 1.00 43.31 N ATOM 685 CA ALA A 45 11.908 0.242 -10.356 1.00 74.54 C ATOM 686 C ALA A 45 11.068 1.144 -11.254 1.00 42.14 C ATOM 687 O ALA A 45 10.890 2.328 -10.968 1.00 71.51 O ATOM 688 CB ALA A 45 13.385 0.390 -10.689 1.00 31.04 C ATOM 0 H ALA A 45 12.168 -1.746 -10.971 1.00 43.31 H new ATOM 0 HA ALA A 45 11.748 0.550 -9.323 1.00 74.54 H new ATOM 0 HB1 ALA A 45 13.677 1.435 -10.590 1.00 31.04 H new ATOM 0 HB2 ALA A 45 13.975 -0.218 -10.004 1.00 31.04 H new ATOM 0 HB3 ALA A 45 13.562 0.059 -11.712 1.00 31.04 H new ATOM 694 N ALA A 46 10.556 0.577 -12.342 1.00 13.42 N ATOM 695 CA ALA A 46 9.734 1.331 -13.281 1.00 1.02 C ATOM 696 C ALA A 46 8.479 1.869 -12.603 1.00 11.44 C ATOM 697 O ALA A 46 8.149 3.049 -12.731 1.00 10.32 O ATOM 698 CB ALA A 46 9.361 0.461 -14.472 1.00 31.12 C ATOM 0 H ALA A 46 10.696 -0.401 -12.595 1.00 13.42 H new ATOM 0 HA ALA A 46 10.317 2.181 -13.634 1.00 1.02 H new ATOM 0 HB1 ALA A 46 8.747 1.037 -15.165 1.00 31.12 H new ATOM 0 HB2 ALA A 46 10.267 0.130 -14.979 1.00 31.12 H new ATOM 0 HB3 ALA A 46 8.801 -0.408 -14.127 1.00 31.12 H new ATOM 704 N LEU A 47 7.782 0.998 -11.882 1.00 12.34 N ATOM 705 CA LEU A 47 6.561 1.386 -11.183 1.00 43.41 C ATOM 706 C LEU A 47 6.820 2.562 -10.246 1.00 24.40 C ATOM 707 O LEU A 47 5.911 3.331 -9.934 1.00 3.22 O ATOM 708 CB LEU A 47 6.004 0.202 -10.392 1.00 24.42 C ATOM 709 CG LEU A 47 6.654 -0.063 -9.033 1.00 12.30 C ATOM 710 CD1 LEU A 47 5.841 0.579 -7.919 1.00 44.42 C ATOM 711 CD2 LEU A 47 6.801 -1.558 -8.794 1.00 60.41 C ATOM 0 H LEU A 47 8.041 0.018 -11.766 1.00 12.34 H new ATOM 0 HA LEU A 47 5.828 1.694 -11.928 1.00 43.41 H new ATOM 0 HB2 LEU A 47 4.937 0.364 -10.237 1.00 24.42 H new ATOM 0 HB3 LEU A 47 6.104 -0.696 -11.002 1.00 24.42 H new ATOM 0 HG LEU A 47 7.648 0.384 -9.034 1.00 12.30 H new ATOM 0 HD11 LEU A 47 6.318 0.380 -6.959 1.00 44.42 H new ATOM 0 HD12 LEU A 47 5.787 1.655 -8.082 1.00 44.42 H new ATOM 0 HD13 LEU A 47 4.834 0.162 -7.917 1.00 44.42 H new ATOM 0 HD21 LEU A 47 7.265 -1.727 -7.822 1.00 60.41 H new ATOM 0 HD22 LEU A 47 5.818 -2.028 -8.813 1.00 60.41 H new ATOM 0 HD23 LEU A 47 7.426 -1.992 -9.575 1.00 60.41 H new ATOM 723 N ILE A 48 8.066 2.695 -9.803 1.00 31.32 N ATOM 724 CA ILE A 48 8.445 3.778 -8.904 1.00 51.24 C ATOM 725 C ILE A 48 8.540 5.104 -9.652 1.00 23.03 C ATOM 726 O ILE A 48 8.040 6.129 -9.188 1.00 31.34 O ATOM 727 CB ILE A 48 9.792 3.492 -8.215 1.00 11.54 C ATOM 728 CG1 ILE A 48 9.728 2.168 -7.451 1.00 70.13 C ATOM 729 CG2 ILE A 48 10.159 4.633 -7.277 1.00 43.02 C ATOM 730 CD1 ILE A 48 11.085 1.640 -7.042 1.00 43.12 C ATOM 0 H ILE A 48 8.830 2.066 -10.052 1.00 31.32 H new ATOM 0 HA ILE A 48 7.666 3.846 -8.145 1.00 51.24 H new ATOM 0 HB ILE A 48 10.565 3.412 -8.979 1.00 11.54 H new ATOM 0 HG12 ILE A 48 9.115 2.302 -6.559 1.00 70.13 H new ATOM 0 HG13 ILE A 48 9.229 1.423 -8.072 1.00 70.13 H new ATOM 0 HG21 ILE A 48 11.113 4.417 -6.797 1.00 43.02 H new ATOM 0 HG22 ILE A 48 10.240 5.559 -7.845 1.00 43.02 H new ATOM 0 HG23 ILE A 48 9.386 4.741 -6.516 1.00 43.02 H new ATOM 0 HD11 ILE A 48 10.963 0.699 -6.505 1.00 43.12 H new ATOM 0 HD12 ILE A 48 11.694 1.474 -7.931 1.00 43.12 H new ATOM 0 HD13 ILE A 48 11.578 2.366 -6.395 1.00 43.12 H new ATOM 742 N LYS A 49 9.185 5.077 -10.813 1.00 70.02 N ATOM 743 CA LYS A 49 9.344 6.275 -11.628 1.00 43.34 C ATOM 744 C LYS A 49 8.029 6.655 -12.301 1.00 33.03 C ATOM 745 O LYS A 49 7.585 7.800 -12.215 1.00 2.52 O ATOM 746 CB LYS A 49 10.426 6.056 -12.688 1.00 62.14 C ATOM 747 CG LYS A 49 11.840 6.175 -12.148 1.00 25.35 C ATOM 748 CD LYS A 49 12.285 4.893 -11.463 1.00 2.22 C ATOM 749 CE LYS A 49 13.791 4.868 -11.250 1.00 40.52 C ATOM 750 NZ LYS A 49 14.217 5.820 -10.186 1.00 74.42 N ATOM 0 H LYS A 49 9.606 4.238 -11.211 1.00 70.02 H new ATOM 0 HA LYS A 49 9.645 7.092 -10.972 1.00 43.34 H new ATOM 0 HB2 LYS A 49 10.296 5.067 -13.128 1.00 62.14 H new ATOM 0 HB3 LYS A 49 10.290 6.782 -13.489 1.00 62.14 H new ATOM 0 HG2 LYS A 49 12.524 6.409 -12.964 1.00 25.35 H new ATOM 0 HG3 LYS A 49 11.892 7.003 -11.441 1.00 25.35 H new ATOM 0 HD2 LYS A 49 11.779 4.798 -10.502 1.00 2.22 H new ATOM 0 HD3 LYS A 49 11.988 4.035 -12.066 1.00 2.22 H new ATOM 0 HE2 LYS A 49 14.103 3.859 -10.981 1.00 40.52 H new ATOM 0 HE3 LYS A 49 14.294 5.118 -12.184 1.00 40.52 H new ATOM 0 HZ1 LYS A 49 15.250 5.773 -10.071 1.00 74.42 H new ATOM 0 HZ2 LYS A 49 13.942 6.786 -10.455 1.00 74.42 H new ATOM 0 HZ3 LYS A 49 13.757 5.566 -9.288 1.00 74.42 H new ATOM 764 N ILE A 50 7.409 5.687 -12.968 1.00 25.14 N ATOM 765 CA ILE A 50 6.144 5.920 -13.652 1.00 14.14 C ATOM 766 C ILE A 50 5.010 6.133 -12.653 1.00 65.35 C ATOM 767 O ILE A 50 4.007 6.772 -12.965 1.00 12.42 O ATOM 768 CB ILE A 50 5.781 4.746 -14.580 1.00 50.34 C ATOM 769 CG1 ILE A 50 5.474 3.493 -13.758 1.00 55.02 C ATOM 770 CG2 ILE A 50 6.912 4.478 -15.562 1.00 3.34 C ATOM 771 CD1 ILE A 50 3.994 3.221 -13.602 1.00 12.14 C ATOM 0 H ILE A 50 7.763 4.734 -13.049 1.00 25.14 H new ATOM 0 HA ILE A 50 6.271 6.821 -14.252 1.00 14.14 H new ATOM 0 HB ILE A 50 4.889 5.013 -15.147 1.00 50.34 H new ATOM 0 HG12 ILE A 50 5.945 2.632 -14.233 1.00 55.02 H new ATOM 0 HG13 ILE A 50 5.922 3.597 -12.770 1.00 55.02 H new ATOM 0 HG21 ILE A 50 6.641 3.645 -16.211 1.00 3.34 H new ATOM 0 HG22 ILE A 50 7.087 5.368 -16.167 1.00 3.34 H new ATOM 0 HG23 ILE A 50 7.820 4.229 -15.012 1.00 3.34 H new ATOM 0 HD11 ILE A 50 3.851 2.318 -13.008 1.00 12.14 H new ATOM 0 HD12 ILE A 50 3.520 4.064 -13.100 1.00 12.14 H new ATOM 0 HD13 ILE A 50 3.544 3.084 -14.585 1.00 12.14 H new ATOM 783 N GLY A 51 5.180 5.593 -11.450 1.00 74.53 N ATOM 784 CA GLY A 51 4.164 5.735 -10.424 1.00 10.54 C ATOM 785 C GLY A 51 4.324 7.013 -9.623 1.00 63.23 C ATOM 786 O GLY A 51 3.383 7.468 -8.975 1.00 21.05 O ATOM 0 H GLY A 51 6.003 5.060 -11.168 1.00 74.53 H new ATOM 0 HA2 GLY A 51 3.178 5.722 -10.889 1.00 10.54 H new ATOM 0 HA3 GLY A 51 4.210 4.879 -9.750 1.00 10.54 H new ATOM 790 N GLU A 52 5.520 7.591 -9.668 1.00 45.31 N ATOM 791 CA GLU A 52 5.801 8.823 -8.939 1.00 35.41 C ATOM 792 C GLU A 52 4.893 9.954 -9.413 1.00 45.35 C ATOM 793 O GLU A 52 4.607 10.890 -8.667 1.00 3.33 O ATOM 794 CB GLU A 52 7.267 9.222 -9.113 1.00 41.54 C ATOM 795 CG GLU A 52 7.607 10.572 -8.504 1.00 14.31 C ATOM 796 CD GLU A 52 9.051 10.971 -8.737 1.00 31.01 C ATOM 797 OE1 GLU A 52 9.915 10.071 -8.788 1.00 33.22 O ATOM 798 OE2 GLU A 52 9.317 12.184 -8.869 1.00 10.14 O ATOM 0 H GLU A 52 6.310 7.227 -10.201 1.00 45.31 H new ATOM 0 HA GLU A 52 5.605 8.643 -7.882 1.00 35.41 H new ATOM 0 HB2 GLU A 52 7.899 8.459 -8.659 1.00 41.54 H new ATOM 0 HB3 GLU A 52 7.506 9.242 -10.176 1.00 41.54 H new ATOM 0 HG2 GLU A 52 6.951 11.333 -8.927 1.00 14.31 H new ATOM 0 HG3 GLU A 52 7.411 10.543 -7.432 1.00 14.31 H new ATOM 805 N VAL A 53 4.445 9.861 -10.661 1.00 54.42 N ATOM 806 CA VAL A 53 3.570 10.876 -11.237 1.00 13.05 C ATOM 807 C VAL A 53 2.117 10.639 -10.838 1.00 43.23 C ATOM 808 O VAL A 53 1.696 9.513 -10.573 1.00 1.10 O ATOM 809 CB VAL A 53 3.672 10.899 -12.773 1.00 50.42 C ATOM 810 CG1 VAL A 53 5.110 11.133 -13.209 1.00 43.13 C ATOM 811 CG2 VAL A 53 3.131 9.605 -13.362 1.00 41.55 C ATOM 0 H VAL A 53 4.673 9.093 -11.293 1.00 54.42 H new ATOM 0 HA VAL A 53 3.900 11.838 -10.844 1.00 13.05 H new ATOM 0 HB VAL A 53 3.065 11.723 -13.148 1.00 50.42 H new ATOM 0 HG11 VAL A 53 5.163 11.146 -14.298 1.00 43.13 H new ATOM 0 HG12 VAL A 53 5.458 12.089 -12.817 1.00 43.13 H new ATOM 0 HG13 VAL A 53 5.742 10.332 -12.825 1.00 43.13 H new ATOM 0 HG21 VAL A 53 3.211 9.638 -14.449 1.00 41.55 H new ATOM 0 HG22 VAL A 53 3.709 8.763 -12.982 1.00 41.55 H new ATOM 0 HG23 VAL A 53 2.085 9.485 -13.079 1.00 41.55 H new ATOM 821 N PRO A 54 1.331 11.725 -10.795 1.00 61.02 N ATOM 822 CA PRO A 54 -0.088 11.661 -10.431 1.00 45.22 C ATOM 823 C PRO A 54 -0.930 10.973 -11.500 1.00 2.11 C ATOM 824 O PRO A 54 -0.479 10.733 -12.620 1.00 73.23 O ATOM 825 CB PRO A 54 -0.487 13.133 -10.301 1.00 41.23 C ATOM 826 CG PRO A 54 0.475 13.865 -11.173 1.00 35.12 C ATOM 827 CD PRO A 54 1.766 13.099 -11.099 1.00 62.41 C ATOM 0 HA PRO A 54 -0.251 11.079 -9.524 1.00 45.22 H new ATOM 0 HB2 PRO A 54 -1.516 13.294 -10.624 1.00 41.23 H new ATOM 0 HB3 PRO A 54 -0.421 13.471 -9.267 1.00 41.23 H new ATOM 0 HG2 PRO A 54 0.110 13.917 -12.199 1.00 35.12 H new ATOM 0 HG3 PRO A 54 0.610 14.891 -10.830 1.00 35.12 H new ATOM 0 HD2 PRO A 54 2.316 13.148 -12.039 1.00 62.41 H new ATOM 0 HD3 PRO A 54 2.423 13.493 -10.324 1.00 62.41 H new ATOM 835 N PRO A 55 -2.183 10.648 -11.149 1.00 22.25 N ATOM 836 CA PRO A 55 -3.115 9.984 -12.065 1.00 23.54 C ATOM 837 C PRO A 55 -3.566 10.899 -13.197 1.00 44.15 C ATOM 838 O PRO A 55 -4.222 10.458 -14.141 1.00 64.22 O ATOM 839 CB PRO A 55 -4.299 9.623 -11.165 1.00 75.51 C ATOM 840 CG PRO A 55 -4.244 10.610 -10.051 1.00 54.54 C ATOM 841 CD PRO A 55 -2.786 10.904 -9.830 1.00 53.10 C ATOM 0 HA PRO A 55 -2.660 9.126 -12.559 1.00 23.54 H new ATOM 0 HB2 PRO A 55 -5.243 9.690 -11.707 1.00 75.51 H new ATOM 0 HB3 PRO A 55 -4.217 8.602 -10.793 1.00 75.51 H new ATOM 0 HG2 PRO A 55 -4.791 11.518 -10.306 1.00 54.54 H new ATOM 0 HG3 PRO A 55 -4.702 10.206 -9.148 1.00 54.54 H new ATOM 0 HD2 PRO A 55 -2.628 11.934 -9.509 1.00 53.10 H new ATOM 0 HD3 PRO A 55 -2.358 10.261 -9.061 1.00 53.10 H new ATOM 849 N ASP A 56 -3.210 12.175 -13.098 1.00 4.11 N ATOM 850 CA ASP A 56 -3.577 13.153 -14.116 1.00 25.13 C ATOM 851 C ASP A 56 -2.759 12.947 -15.387 1.00 3.11 C ATOM 852 O ASP A 56 -3.191 13.313 -16.480 1.00 22.15 O ATOM 853 CB ASP A 56 -3.371 14.573 -13.586 1.00 50.15 C ATOM 854 CG ASP A 56 -4.270 15.583 -14.273 1.00 62.42 C ATOM 855 OD1 ASP A 56 -5.491 15.332 -14.354 1.00 62.14 O ATOM 856 OD2 ASP A 56 -3.753 16.624 -14.729 1.00 25.33 O ATOM 0 H ASP A 56 -2.668 12.557 -12.323 1.00 4.11 H new ATOM 0 HA ASP A 56 -4.631 13.013 -14.357 1.00 25.13 H new ATOM 0 HB2 ASP A 56 -3.564 14.589 -12.513 1.00 50.15 H new ATOM 0 HB3 ASP A 56 -2.330 14.863 -13.727 1.00 50.15 H new ATOM 861 N GLN A 57 -1.576 12.361 -15.235 1.00 23.31 N ATOM 862 CA GLN A 57 -0.697 12.108 -16.371 1.00 11.41 C ATOM 863 C GLN A 57 -0.571 10.612 -16.640 1.00 5.55 C ATOM 864 O GLN A 57 0.336 10.173 -17.348 1.00 22.32 O ATOM 865 CB GLN A 57 0.685 12.712 -16.117 1.00 64.23 C ATOM 866 CG GLN A 57 0.646 14.180 -15.726 1.00 52.20 C ATOM 867 CD GLN A 57 2.024 14.749 -15.453 1.00 23.22 C ATOM 868 OE1 GLN A 57 2.920 14.667 -16.294 1.00 22.34 O ATOM 869 NE2 GLN A 57 2.202 15.330 -14.272 1.00 51.01 N ATOM 0 H GLN A 57 -1.204 12.053 -14.337 1.00 23.31 H new ATOM 0 HA GLN A 57 -1.136 12.580 -17.250 1.00 11.41 H new ATOM 0 HB2 GLN A 57 1.179 12.147 -15.326 1.00 64.23 H new ATOM 0 HB3 GLN A 57 1.292 12.600 -17.016 1.00 64.23 H new ATOM 0 HG2 GLN A 57 0.173 14.752 -16.524 1.00 52.20 H new ATOM 0 HG3 GLN A 57 0.026 14.299 -14.838 1.00 52.20 H new ATOM 0 HE21 GLN A 57 1.432 15.376 -13.605 1.00 51.01 H new ATOM 0 HE22 GLN A 57 3.109 15.730 -14.032 1.00 51.01 H new ATOM 878 N LEU A 58 -1.484 9.835 -16.070 1.00 34.23 N ATOM 879 CA LEU A 58 -1.475 8.387 -16.247 1.00 72.12 C ATOM 880 C LEU A 58 -2.565 7.951 -17.221 1.00 60.33 C ATOM 881 O LEU A 58 -3.588 8.621 -17.365 1.00 24.02 O ATOM 882 CB LEU A 58 -1.669 7.687 -14.901 1.00 23.11 C ATOM 883 CG LEU A 58 -0.405 7.476 -14.066 1.00 61.35 C ATOM 884 CD1 LEU A 58 -0.751 6.862 -12.719 1.00 14.12 C ATOM 885 CD2 LEU A 58 0.588 6.598 -14.815 1.00 12.12 C ATOM 0 H LEU A 58 -2.241 10.183 -15.481 1.00 34.23 H new ATOM 0 HA LEU A 58 -0.508 8.103 -16.661 1.00 72.12 H new ATOM 0 HB2 LEU A 58 -2.378 8.268 -14.311 1.00 23.11 H new ATOM 0 HB3 LEU A 58 -2.127 6.715 -15.082 1.00 23.11 H new ATOM 0 HG LEU A 58 0.058 8.447 -13.891 1.00 61.35 H new ATOM 0 HD11 LEU A 58 0.161 6.719 -12.139 1.00 14.12 H new ATOM 0 HD12 LEU A 58 -1.425 7.527 -12.178 1.00 14.12 H new ATOM 0 HD13 LEU A 58 -1.238 5.899 -12.872 1.00 14.12 H new ATOM 0 HD21 LEU A 58 1.481 6.458 -14.206 1.00 12.12 H new ATOM 0 HD22 LEU A 58 0.134 5.629 -15.021 1.00 12.12 H new ATOM 0 HD23 LEU A 58 0.861 7.078 -15.755 1.00 12.12 H new ATOM 897 N ASP A 59 -2.340 6.823 -17.886 1.00 42.14 N ATOM 898 CA ASP A 59 -3.304 6.295 -18.845 1.00 10.13 C ATOM 899 C ASP A 59 -3.869 4.961 -18.368 1.00 21.40 C ATOM 900 O ASP A 59 -3.410 4.401 -17.372 1.00 63.04 O ATOM 901 CB ASP A 59 -2.651 6.125 -20.217 1.00 44.41 C ATOM 902 CG ASP A 59 -3.648 6.245 -21.352 1.00 54.12 C ATOM 903 OD1 ASP A 59 -3.963 7.387 -21.748 1.00 51.11 O ATOM 904 OD2 ASP A 59 -4.114 5.197 -21.845 1.00 71.32 O ATOM 0 H ASP A 59 -1.499 6.257 -17.779 1.00 42.14 H new ATOM 0 HA ASP A 59 -4.124 7.008 -18.928 1.00 10.13 H new ATOM 0 HB2 ASP A 59 -1.872 6.877 -20.341 1.00 44.41 H new ATOM 0 HB3 ASP A 59 -2.164 5.151 -20.266 1.00 44.41 H new ATOM 909 N SER A 60 -4.868 4.457 -19.085 1.00 35.01 N ATOM 910 CA SER A 60 -5.500 3.191 -18.732 1.00 63.44 C ATOM 911 C SER A 60 -4.552 2.022 -18.987 1.00 13.14 C ATOM 912 O SER A 60 -4.406 1.134 -18.147 1.00 12.52 O ATOM 913 CB SER A 60 -6.790 2.999 -19.532 1.00 43.43 C ATOM 914 OG SER A 60 -6.628 3.431 -20.872 1.00 45.03 O ATOM 0 H SER A 60 -5.257 4.906 -19.914 1.00 35.01 H new ATOM 0 HA SER A 60 -5.741 3.217 -17.669 1.00 63.44 H new ATOM 0 HB2 SER A 60 -7.077 1.948 -19.518 1.00 43.43 H new ATOM 0 HB3 SER A 60 -7.600 3.557 -19.062 1.00 43.43 H new ATOM 0 HG SER A 60 -7.466 3.296 -21.363 1.00 45.03 H new ATOM 920 N GLN A 61 -3.912 2.031 -20.151 1.00 64.50 N ATOM 921 CA GLN A 61 -2.979 0.971 -20.517 1.00 3.23 C ATOM 922 C GLN A 61 -1.872 0.837 -19.476 1.00 42.41 C ATOM 923 O GLN A 61 -1.354 -0.255 -19.243 1.00 71.02 O ATOM 924 CB GLN A 61 -2.371 1.251 -21.892 1.00 64.43 C ATOM 925 CG GLN A 61 -1.916 -0.003 -22.623 1.00 14.23 C ATOM 926 CD GLN A 61 -1.030 0.305 -23.814 1.00 31.55 C ATOM 927 OE1 GLN A 61 -1.032 1.422 -24.332 1.00 30.44 O ATOM 928 NE2 GLN A 61 -0.266 -0.688 -24.255 1.00 2.33 N ATOM 0 H GLN A 61 -4.022 2.759 -20.857 1.00 64.50 H new ATOM 0 HA GLN A 61 -3.531 0.032 -20.556 1.00 3.23 H new ATOM 0 HB2 GLN A 61 -3.106 1.773 -22.505 1.00 64.43 H new ATOM 0 HB3 GLN A 61 -1.520 1.922 -21.774 1.00 64.43 H new ATOM 0 HG2 GLN A 61 -1.375 -0.647 -21.930 1.00 14.23 H new ATOM 0 HG3 GLN A 61 -2.790 -0.560 -22.960 1.00 14.23 H new ATOM 0 HE21 GLN A 61 -0.296 -1.598 -23.795 1.00 2.33 H new ATOM 0 HE22 GLN A 61 0.351 -0.541 -25.054 1.00 2.33 H new ATOM 937 N ASP A 62 -1.514 1.955 -18.854 1.00 23.03 N ATOM 938 CA ASP A 62 -0.468 1.963 -17.837 1.00 33.41 C ATOM 939 C ASP A 62 -0.783 0.965 -16.727 1.00 23.51 C ATOM 940 O ASP A 62 0.119 0.360 -16.147 1.00 24.04 O ATOM 941 CB ASP A 62 -0.310 3.365 -17.249 1.00 4.44 C ATOM 942 CG ASP A 62 1.021 3.551 -16.546 1.00 13.43 C ATOM 943 OD1 ASP A 62 2.003 3.921 -17.223 1.00 75.50 O ATOM 944 OD2 ASP A 62 1.080 3.327 -15.318 1.00 63.14 O ATOM 0 H ASP A 62 -1.932 2.867 -19.036 1.00 23.03 H new ATOM 0 HA ASP A 62 0.468 1.669 -18.311 1.00 33.41 H new ATOM 0 HB2 ASP A 62 -0.403 4.103 -18.046 1.00 4.44 H new ATOM 0 HB3 ASP A 62 -1.120 3.554 -16.544 1.00 4.44 H new ATOM 949 N LYS A 63 -2.068 0.797 -16.435 1.00 52.33 N ATOM 950 CA LYS A 63 -2.503 -0.127 -15.395 1.00 73.11 C ATOM 951 C LYS A 63 -2.261 -1.573 -15.816 1.00 71.11 C ATOM 952 O LYS A 63 -1.798 -2.393 -15.021 1.00 51.45 O ATOM 953 CB LYS A 63 -3.987 0.083 -15.085 1.00 51.22 C ATOM 954 CG LYS A 63 -4.350 1.530 -14.800 1.00 42.45 C ATOM 955 CD LYS A 63 -3.778 1.998 -13.473 1.00 24.23 C ATOM 956 CE LYS A 63 -4.614 1.506 -12.301 1.00 63.13 C ATOM 957 NZ LYS A 63 -6.004 2.038 -12.350 1.00 4.55 N ATOM 0 H LYS A 63 -2.827 1.290 -16.905 1.00 52.33 H new ATOM 0 HA LYS A 63 -1.918 0.075 -14.497 1.00 73.11 H new ATOM 0 HB2 LYS A 63 -4.579 -0.272 -15.928 1.00 51.22 H new ATOM 0 HB3 LYS A 63 -4.260 -0.528 -14.224 1.00 51.22 H new ATOM 0 HG2 LYS A 63 -3.975 2.165 -15.603 1.00 42.45 H new ATOM 0 HG3 LYS A 63 -5.435 1.638 -14.788 1.00 42.45 H new ATOM 0 HD2 LYS A 63 -2.755 1.636 -13.369 1.00 24.23 H new ATOM 0 HD3 LYS A 63 -3.734 3.087 -13.458 1.00 24.23 H new ATOM 0 HE2 LYS A 63 -4.642 0.416 -12.307 1.00 63.13 H new ATOM 0 HE3 LYS A 63 -4.142 1.808 -11.366 1.00 63.13 H new ATOM 0 HZ1 LYS A 63 -6.403 2.054 -11.390 1.00 4.55 H new ATOM 0 HZ2 LYS A 63 -5.993 3.003 -12.737 1.00 4.55 H new ATOM 0 HZ3 LYS A 63 -6.588 1.428 -12.958 1.00 4.55 H new ATOM 971 N LEU A 64 -2.575 -1.880 -17.070 1.00 12.22 N ATOM 972 CA LEU A 64 -2.390 -3.227 -17.597 1.00 70.42 C ATOM 973 C LEU A 64 -0.911 -3.598 -17.638 1.00 41.53 C ATOM 974 O LEU A 64 -0.550 -4.768 -17.517 1.00 35.35 O ATOM 975 CB LEU A 64 -2.994 -3.335 -18.999 1.00 24.24 C ATOM 976 CG LEU A 64 -4.507 -3.547 -19.063 1.00 65.04 C ATOM 977 CD1 LEU A 64 -5.239 -2.230 -18.862 1.00 51.40 C ATOM 978 CD2 LEU A 64 -4.900 -4.181 -20.390 1.00 10.14 C ATOM 0 H LEU A 64 -2.959 -1.214 -17.740 1.00 12.22 H new ATOM 0 HA LEU A 64 -2.902 -3.924 -16.933 1.00 70.42 H new ATOM 0 HB2 LEU A 64 -2.751 -2.426 -19.549 1.00 24.24 H new ATOM 0 HB3 LEU A 64 -2.509 -4.161 -19.519 1.00 24.24 H new ATOM 0 HG LEU A 64 -4.795 -4.225 -18.259 1.00 65.04 H new ATOM 0 HD11 LEU A 64 -6.314 -2.400 -18.911 1.00 51.40 H new ATOM 0 HD12 LEU A 64 -4.981 -1.815 -17.887 1.00 51.40 H new ATOM 0 HD13 LEU A 64 -4.947 -1.528 -19.644 1.00 51.40 H new ATOM 0 HD21 LEU A 64 -5.980 -4.325 -20.419 1.00 10.14 H new ATOM 0 HD22 LEU A 64 -4.599 -3.527 -21.209 1.00 10.14 H new ATOM 0 HD23 LEU A 64 -4.403 -5.145 -20.494 1.00 10.14 H new ATOM 990 N TRP A 65 -0.060 -2.593 -17.808 1.00 44.53 N ATOM 991 CA TRP A 65 1.381 -2.812 -17.863 1.00 22.51 C ATOM 992 C TRP A 65 1.875 -3.502 -16.596 1.00 1.42 C ATOM 993 O TRP A 65 2.642 -4.462 -16.659 1.00 74.33 O ATOM 994 CB TRP A 65 2.114 -1.483 -18.054 1.00 72.51 C ATOM 995 CG TRP A 65 3.604 -1.606 -17.947 1.00 52.22 C ATOM 996 CD1 TRP A 65 4.364 -2.687 -18.291 1.00 1.11 C ATOM 997 CD2 TRP A 65 4.513 -0.612 -17.462 1.00 14.41 C ATOM 998 NE1 TRP A 65 5.691 -2.425 -18.048 1.00 50.44 N ATOM 999 CE2 TRP A 65 5.809 -1.158 -17.541 1.00 14.14 C ATOM 1000 CE3 TRP A 65 4.358 0.687 -16.971 1.00 1.54 C ATOM 1001 CZ2 TRP A 65 6.940 -0.450 -17.145 1.00 10.51 C ATOM 1002 CZ3 TRP A 65 5.482 1.389 -16.578 1.00 10.10 C ATOM 1003 CH2 TRP A 65 6.759 0.820 -16.668 1.00 4.24 C ATOM 0 H TRP A 65 -0.343 -1.618 -17.910 1.00 44.53 H new ATOM 0 HA TRP A 65 1.592 -3.460 -18.714 1.00 22.51 H new ATOM 0 HB2 TRP A 65 1.860 -1.073 -19.031 1.00 72.51 H new ATOM 0 HB3 TRP A 65 1.761 -0.771 -17.308 1.00 72.51 H new ATOM 0 HD1 TRP A 65 3.979 -3.612 -18.695 1.00 1.11 H new ATOM 0 HE1 TRP A 65 6.463 -3.070 -18.218 1.00 50.44 H new ATOM 0 HE3 TRP A 65 3.378 1.134 -16.900 1.00 1.54 H new ATOM 0 HZ2 TRP A 65 7.925 -0.887 -17.212 1.00 10.51 H new ATOM 0 HZ3 TRP A 65 5.374 2.393 -16.195 1.00 10.10 H new ATOM 0 HH2 TRP A 65 7.618 1.395 -16.355 1.00 4.24 H new ATOM 1014 N ALA A 66 1.431 -3.005 -15.446 1.00 21.13 N ATOM 1015 CA ALA A 66 1.827 -3.575 -14.164 1.00 33.40 C ATOM 1016 C ALA A 66 1.166 -4.931 -13.939 1.00 63.31 C ATOM 1017 O ALA A 66 1.721 -5.798 -13.264 1.00 22.33 O ATOM 1018 CB ALA A 66 1.477 -2.621 -13.031 1.00 71.44 C ATOM 0 H ALA A 66 0.797 -2.209 -15.376 1.00 21.13 H new ATOM 0 HA ALA A 66 2.907 -3.724 -14.179 1.00 33.40 H new ATOM 0 HB1 ALA A 66 1.778 -3.060 -12.080 1.00 71.44 H new ATOM 0 HB2 ALA A 66 2.000 -1.676 -13.177 1.00 71.44 H new ATOM 0 HB3 ALA A 66 0.402 -2.443 -13.024 1.00 71.44 H new ATOM 1024 N ASP A 67 -0.021 -5.107 -14.508 1.00 60.42 N ATOM 1025 CA ASP A 67 -0.757 -6.359 -14.370 1.00 11.30 C ATOM 1026 C ASP A 67 0.020 -7.517 -14.988 1.00 34.22 C ATOM 1027 O ASP A 67 0.267 -8.529 -14.333 1.00 71.54 O ATOM 1028 CB ASP A 67 -2.132 -6.242 -15.029 1.00 14.42 C ATOM 1029 CG ASP A 67 -2.857 -7.572 -15.098 1.00 4.34 C ATOM 1030 OD1 ASP A 67 -2.692 -8.385 -14.165 1.00 32.22 O ATOM 1031 OD2 ASP A 67 -3.587 -7.800 -16.085 1.00 11.42 O ATOM 0 H ASP A 67 -0.495 -4.399 -15.069 1.00 60.42 H new ATOM 0 HA ASP A 67 -0.888 -6.560 -13.307 1.00 11.30 H new ATOM 0 HB2 ASP A 67 -2.739 -5.529 -14.471 1.00 14.42 H new ATOM 0 HB3 ASP A 67 -2.016 -5.842 -16.036 1.00 14.42 H new ATOM 1036 N GLU A 68 0.400 -7.361 -16.252 1.00 1.31 N ATOM 1037 CA GLU A 68 1.147 -8.395 -16.958 1.00 31.22 C ATOM 1038 C GLU A 68 2.469 -8.687 -16.255 1.00 23.45 C ATOM 1039 O GLU A 68 2.946 -9.823 -16.250 1.00 53.45 O ATOM 1040 CB GLU A 68 1.409 -7.969 -18.404 1.00 30.41 C ATOM 1041 CG GLU A 68 0.151 -7.889 -19.252 1.00 70.13 C ATOM 1042 CD GLU A 68 0.293 -6.928 -20.416 1.00 53.14 C ATOM 1043 OE1 GLU A 68 1.201 -7.133 -21.248 1.00 50.45 O ATOM 1044 OE2 GLU A 68 -0.506 -5.971 -20.495 1.00 44.41 O ATOM 0 H GLU A 68 0.203 -6.529 -16.808 1.00 1.31 H new ATOM 0 HA GLU A 68 0.547 -9.305 -16.958 1.00 31.22 H new ATOM 0 HB2 GLU A 68 1.900 -6.996 -18.404 1.00 30.41 H new ATOM 0 HB3 GLU A 68 2.102 -8.675 -18.862 1.00 30.41 H new ATOM 0 HG2 GLU A 68 -0.090 -8.882 -19.632 1.00 70.13 H new ATOM 0 HG3 GLU A 68 -0.685 -7.576 -18.627 1.00 70.13 H new ATOM 1051 N VAL A 69 3.058 -7.654 -15.661 1.00 31.14 N ATOM 1052 CA VAL A 69 4.325 -7.799 -14.954 1.00 12.45 C ATOM 1053 C VAL A 69 4.129 -8.494 -13.611 1.00 14.31 C ATOM 1054 O VAL A 69 4.983 -9.262 -13.167 1.00 55.44 O ATOM 1055 CB VAL A 69 4.996 -6.432 -14.719 1.00 35.24 C ATOM 1056 CG1 VAL A 69 6.305 -6.603 -13.964 1.00 44.34 C ATOM 1057 CG2 VAL A 69 5.222 -5.716 -16.041 1.00 51.24 C ATOM 0 H VAL A 69 2.678 -6.707 -15.655 1.00 31.14 H new ATOM 0 HA VAL A 69 4.971 -8.409 -15.585 1.00 12.45 H new ATOM 0 HB VAL A 69 4.331 -5.819 -14.110 1.00 35.24 H new ATOM 0 HG11 VAL A 69 6.765 -5.627 -13.807 1.00 44.34 H new ATOM 0 HG12 VAL A 69 6.110 -7.072 -12.999 1.00 44.34 H new ATOM 0 HG13 VAL A 69 6.980 -7.233 -14.544 1.00 44.34 H new ATOM 0 HG21 VAL A 69 5.697 -4.752 -15.856 1.00 51.24 H new ATOM 0 HG22 VAL A 69 5.867 -6.322 -16.677 1.00 51.24 H new ATOM 0 HG23 VAL A 69 4.265 -5.560 -16.538 1.00 51.24 H new ATOM 1067 N ARG A 70 2.998 -8.219 -12.969 1.00 30.55 N ATOM 1068 CA ARG A 70 2.689 -8.818 -11.675 1.00 65.04 C ATOM 1069 C ARG A 70 2.384 -10.306 -11.824 1.00 3.31 C ATOM 1070 O ARG A 70 2.939 -11.137 -11.106 1.00 64.04 O ATOM 1071 CB ARG A 70 1.500 -8.104 -11.030 1.00 22.51 C ATOM 1072 CG ARG A 70 1.268 -8.498 -9.580 1.00 54.23 C ATOM 1073 CD ARG A 70 0.612 -7.372 -8.796 1.00 1.11 C ATOM 1074 NE ARG A 70 -0.820 -7.278 -9.066 1.00 31.52 N ATOM 1075 CZ ARG A 70 -1.594 -6.305 -8.599 1.00 42.44 C ATOM 1076 NH1 ARG A 70 -1.076 -5.346 -7.844 1.00 43.23 N ATOM 1077 NH2 ARG A 70 -2.889 -6.288 -8.889 1.00 22.34 N ATOM 0 H ARG A 70 2.281 -7.586 -13.323 1.00 30.55 H new ATOM 0 HA ARG A 70 3.563 -8.707 -11.033 1.00 65.04 H new ATOM 0 HB2 ARG A 70 1.660 -7.027 -11.084 1.00 22.51 H new ATOM 0 HB3 ARG A 70 0.600 -8.322 -11.605 1.00 22.51 H new ATOM 0 HG2 ARG A 70 0.638 -9.387 -9.539 1.00 54.23 H new ATOM 0 HG3 ARG A 70 2.219 -8.760 -9.116 1.00 54.23 H new ATOM 0 HD2 ARG A 70 0.770 -7.533 -7.730 1.00 1.11 H new ATOM 0 HD3 ARG A 70 1.091 -6.427 -9.050 1.00 1.11 H new ATOM 0 HE ARG A 70 -1.250 -7.999 -9.645 1.00 31.52 H new ATOM 0 HH11 ARG A 70 -0.081 -5.354 -7.621 1.00 43.23 H new ATOM 0 HH12 ARG A 70 -1.673 -4.600 -7.487 1.00 43.23 H new ATOM 0 HH21 ARG A 70 -3.291 -7.023 -9.471 1.00 22.34 H new ATOM 0 HH22 ARG A 70 -3.482 -5.540 -8.530 1.00 22.34 H new ATOM 1091 N GLU A 71 1.498 -10.632 -12.759 1.00 61.44 N ATOM 1092 CA GLU A 71 1.119 -12.020 -13.000 1.00 53.42 C ATOM 1093 C GLU A 71 2.351 -12.885 -13.248 1.00 73.33 C ATOM 1094 O GLU A 71 2.390 -14.055 -12.863 1.00 53.41 O ATOM 1095 CB GLU A 71 0.168 -12.112 -14.196 1.00 1.54 C ATOM 1096 CG GLU A 71 0.757 -11.565 -15.485 1.00 64.53 C ATOM 1097 CD GLU A 71 -0.158 -11.768 -16.677 1.00 13.12 C ATOM 1098 OE1 GLU A 71 -1.189 -11.068 -16.759 1.00 41.15 O ATOM 1099 OE2 GLU A 71 0.157 -12.627 -17.527 1.00 35.00 O ATOM 0 H GLU A 71 1.029 -9.955 -13.362 1.00 61.44 H new ATOM 0 HA GLU A 71 0.609 -12.391 -12.111 1.00 53.42 H new ATOM 0 HB2 GLU A 71 -0.112 -13.155 -14.348 1.00 1.54 H new ATOM 0 HB3 GLU A 71 -0.747 -11.567 -13.965 1.00 1.54 H new ATOM 0 HG2 GLU A 71 0.960 -10.501 -15.364 1.00 64.53 H new ATOM 0 HG3 GLU A 71 1.713 -12.052 -15.678 1.00 64.53 H new ATOM 1106 N LEU A 72 3.355 -12.303 -13.895 1.00 32.34 N ATOM 1107 CA LEU A 72 4.589 -13.021 -14.195 1.00 50.55 C ATOM 1108 C LEU A 72 5.216 -13.582 -12.924 1.00 23.33 C ATOM 1109 O LEU A 72 5.916 -14.594 -12.959 1.00 70.44 O ATOM 1110 CB LEU A 72 5.581 -12.094 -14.901 1.00 62.40 C ATOM 1111 CG LEU A 72 5.506 -12.068 -16.428 1.00 74.10 C ATOM 1112 CD1 LEU A 72 6.498 -11.064 -16.994 1.00 72.34 C ATOM 1113 CD2 LEU A 72 5.763 -13.455 -16.999 1.00 33.13 C ATOM 0 H LEU A 72 3.339 -11.337 -14.222 1.00 32.34 H new ATOM 0 HA LEU A 72 4.345 -13.854 -14.855 1.00 50.55 H new ATOM 0 HB2 LEU A 72 5.425 -11.080 -14.532 1.00 62.40 H new ATOM 0 HB3 LEU A 72 6.590 -12.387 -14.612 1.00 62.40 H new ATOM 0 HG LEU A 72 4.502 -11.759 -16.718 1.00 74.10 H new ATOM 0 HD11 LEU A 72 6.430 -11.059 -18.082 1.00 72.34 H new ATOM 0 HD12 LEU A 72 6.267 -10.070 -16.612 1.00 72.34 H new ATOM 0 HD13 LEU A 72 7.508 -11.342 -16.695 1.00 72.34 H new ATOM 0 HD21 LEU A 72 5.706 -13.417 -18.087 1.00 33.13 H new ATOM 0 HD22 LEU A 72 6.755 -13.794 -16.700 1.00 33.13 H new ATOM 0 HD23 LEU A 72 5.013 -14.149 -16.620 1.00 33.13 H new ATOM 1125 N SER A 73 4.959 -12.920 -11.800 1.00 40.35 N ATOM 1126 CA SER A 73 5.500 -13.352 -10.517 1.00 53.11 C ATOM 1127 C SER A 73 5.194 -14.826 -10.267 1.00 52.43 C ATOM 1128 O SER A 73 5.989 -15.542 -9.659 1.00 45.12 O ATOM 1129 CB SER A 73 4.923 -12.501 -9.384 1.00 43.51 C ATOM 1130 OG SER A 73 3.691 -13.028 -8.926 1.00 33.51 O ATOM 0 H SER A 73 4.379 -12.082 -11.752 1.00 40.35 H new ATOM 0 HA SER A 73 6.582 -13.223 -10.545 1.00 53.11 H new ATOM 0 HB2 SER A 73 5.633 -12.459 -8.558 1.00 43.51 H new ATOM 0 HB3 SER A 73 4.778 -11.478 -9.731 1.00 43.51 H new ATOM 0 HG SER A 73 2.957 -12.645 -9.450 1.00 33.51 H new ATOM 1136 N TYR A 74 4.036 -15.271 -10.741 1.00 34.21 N ATOM 1137 CA TYR A 74 3.622 -16.659 -10.568 1.00 11.55 C ATOM 1138 C TYR A 74 4.703 -17.615 -11.062 1.00 74.13 C ATOM 1139 O TYR A 74 4.854 -18.721 -10.544 1.00 20.33 O ATOM 1140 CB TYR A 74 2.313 -16.920 -11.315 1.00 1.42 C ATOM 1141 CG TYR A 74 1.081 -16.749 -10.455 1.00 52.25 C ATOM 1142 CD1 TYR A 74 0.966 -15.679 -9.576 1.00 23.22 C ATOM 1143 CD2 TYR A 74 0.032 -17.657 -10.522 1.00 74.03 C ATOM 1144 CE1 TYR A 74 -0.157 -15.519 -8.788 1.00 73.41 C ATOM 1145 CE2 TYR A 74 -1.096 -17.504 -9.740 1.00 34.35 C ATOM 1146 CZ TYR A 74 -1.186 -16.434 -8.874 1.00 31.10 C ATOM 1147 OH TYR A 74 -2.307 -16.279 -8.092 1.00 34.25 O ATOM 0 H TYR A 74 3.367 -14.691 -11.248 1.00 34.21 H new ATOM 0 HA TYR A 74 3.466 -16.835 -9.504 1.00 11.55 H new ATOM 0 HB2 TYR A 74 2.249 -16.242 -12.166 1.00 1.42 H new ATOM 0 HB3 TYR A 74 2.329 -17.934 -11.715 1.00 1.42 H new ATOM 0 HD1 TYR A 74 1.769 -14.960 -9.508 1.00 23.22 H new ATOM 0 HD2 TYR A 74 0.100 -18.497 -11.197 1.00 74.03 H new ATOM 0 HE1 TYR A 74 -0.229 -14.683 -8.109 1.00 73.41 H new ATOM 0 HE2 TYR A 74 -1.903 -18.218 -9.806 1.00 34.35 H new ATOM 0 HH TYR A 74 -2.936 -17.008 -8.275 1.00 34.25 H new ATOM 1157 N VAL A 75 5.453 -17.180 -12.070 1.00 12.13 N ATOM 1158 CA VAL A 75 6.521 -17.995 -12.635 1.00 23.21 C ATOM 1159 C VAL A 75 7.745 -18.005 -11.725 1.00 72.04 C ATOM 1160 O VAL A 75 8.476 -18.994 -11.663 1.00 0.23 O ATOM 1161 CB VAL A 75 6.936 -17.489 -14.029 1.00 52.12 C ATOM 1162 CG1 VAL A 75 7.920 -18.451 -14.676 1.00 62.41 C ATOM 1163 CG2 VAL A 75 5.711 -17.294 -14.910 1.00 43.44 C ATOM 0 H VAL A 75 5.340 -16.268 -12.512 1.00 12.13 H new ATOM 0 HA VAL A 75 6.131 -19.009 -12.726 1.00 23.21 H new ATOM 0 HB VAL A 75 7.431 -16.525 -13.914 1.00 52.12 H new ATOM 0 HG11 VAL A 75 8.201 -18.076 -15.660 1.00 62.41 H new ATOM 0 HG12 VAL A 75 8.810 -18.536 -14.052 1.00 62.41 H new ATOM 0 HG13 VAL A 75 7.455 -19.431 -14.780 1.00 62.41 H new ATOM 0 HG21 VAL A 75 6.022 -16.936 -15.891 1.00 43.44 H new ATOM 0 HG22 VAL A 75 5.187 -18.243 -15.019 1.00 43.44 H new ATOM 0 HG23 VAL A 75 5.046 -16.563 -14.451 1.00 43.44 H new ATOM 1173 N ILE A 76 7.961 -16.899 -11.022 1.00 1.21 N ATOM 1174 CA ILE A 76 9.095 -16.781 -10.114 1.00 44.12 C ATOM 1175 C ILE A 76 9.091 -17.902 -9.080 1.00 41.15 C ATOM 1176 O ILE A 76 10.146 -18.341 -8.623 1.00 14.33 O ATOM 1177 CB ILE A 76 9.094 -15.425 -9.384 1.00 52.33 C ATOM 1178 CG1 ILE A 76 9.132 -14.277 -10.395 1.00 53.31 C ATOM 1179 CG2 ILE A 76 10.275 -15.336 -8.429 1.00 54.11 C ATOM 1180 CD1 ILE A 76 9.030 -12.908 -9.759 1.00 71.02 C ATOM 0 H ILE A 76 7.366 -16.072 -11.064 1.00 1.21 H new ATOM 0 HA ILE A 76 9.995 -16.855 -10.724 1.00 44.12 H new ATOM 0 HB ILE A 76 8.175 -15.343 -8.803 1.00 52.33 H new ATOM 0 HG12 ILE A 76 10.059 -14.336 -10.965 1.00 53.31 H new ATOM 0 HG13 ILE A 76 8.314 -14.401 -11.104 1.00 53.31 H new ATOM 0 HG21 ILE A 76 10.260 -14.372 -7.921 1.00 54.11 H new ATOM 0 HG22 ILE A 76 10.208 -16.136 -7.692 1.00 54.11 H new ATOM 0 HG23 ILE A 76 11.204 -15.436 -8.989 1.00 54.11 H new ATOM 0 HD11 ILE A 76 9.064 -12.143 -10.535 1.00 71.02 H new ATOM 0 HD12 ILE A 76 8.090 -12.830 -9.213 1.00 71.02 H new ATOM 0 HD13 ILE A 76 9.863 -12.764 -9.071 1.00 71.02 H new ATOM 1192 N GLU A 77 7.897 -18.362 -8.719 1.00 3.41 N ATOM 1193 CA GLU A 77 7.757 -19.433 -7.740 1.00 15.23 C ATOM 1194 C GLU A 77 8.610 -20.638 -8.125 1.00 0.31 C ATOM 1195 O GLU A 77 9.154 -21.328 -7.263 1.00 11.25 O ATOM 1196 CB GLU A 77 6.290 -19.851 -7.616 1.00 70.40 C ATOM 1197 CG GLU A 77 5.507 -19.034 -6.602 1.00 23.52 C ATOM 1198 CD GLU A 77 5.595 -19.606 -5.200 1.00 2.31 C ATOM 1199 OE1 GLU A 77 6.643 -19.417 -4.548 1.00 4.23 O ATOM 1200 OE2 GLU A 77 4.617 -20.241 -4.755 1.00 72.32 O ATOM 0 H GLU A 77 7.014 -18.010 -9.089 1.00 3.41 H new ATOM 0 HA GLU A 77 8.104 -19.058 -6.777 1.00 15.23 H new ATOM 0 HB2 GLU A 77 5.811 -19.759 -8.591 1.00 70.40 H new ATOM 0 HB3 GLU A 77 6.243 -20.903 -7.336 1.00 70.40 H new ATOM 0 HG2 GLU A 77 5.883 -18.011 -6.597 1.00 23.52 H new ATOM 0 HG3 GLU A 77 4.462 -18.988 -6.907 1.00 23.52 H new ATOM 1207 N ASP A 78 8.722 -20.884 -9.425 1.00 72.44 N ATOM 1208 CA ASP A 78 9.509 -22.005 -9.926 1.00 71.22 C ATOM 1209 C ASP A 78 10.944 -21.934 -9.413 1.00 34.25 C ATOM 1210 O ASP A 78 11.606 -22.958 -9.248 1.00 33.30 O ATOM 1211 CB ASP A 78 9.502 -22.018 -11.456 1.00 33.14 C ATOM 1212 CG ASP A 78 9.880 -23.371 -12.025 1.00 20.31 C ATOM 1213 OD1 ASP A 78 10.933 -23.910 -11.625 1.00 65.20 O ATOM 1214 OD2 ASP A 78 9.122 -23.892 -12.870 1.00 2.13 O ATOM 0 H ASP A 78 8.278 -20.322 -10.152 1.00 72.44 H new ATOM 0 HA ASP A 78 9.056 -22.927 -9.560 1.00 71.22 H new ATOM 0 HB2 ASP A 78 8.511 -21.741 -11.814 1.00 33.14 H new ATOM 0 HB3 ASP A 78 10.197 -21.264 -11.826 1.00 33.14 H new ATOM 1219 N ALA A 79 11.418 -20.718 -9.162 1.00 75.01 N ATOM 1220 CA ALA A 79 12.773 -20.514 -8.667 1.00 11.55 C ATOM 1221 C ALA A 79 13.035 -21.355 -7.422 1.00 42.10 C ATOM 1222 O ALA A 79 14.016 -22.097 -7.357 1.00 54.31 O ATOM 1223 CB ALA A 79 13.009 -19.040 -8.369 1.00 65.24 C ATOM 0 H ALA A 79 10.883 -19.859 -9.294 1.00 75.01 H new ATOM 0 HA ALA A 79 13.469 -20.833 -9.443 1.00 11.55 H new ATOM 0 HB1 ALA A 79 14.025 -18.902 -8.000 1.00 65.24 H new ATOM 0 HB2 ALA A 79 12.872 -18.458 -9.280 1.00 65.24 H new ATOM 0 HB3 ALA A 79 12.299 -18.703 -7.613 1.00 65.24 H new ATOM 1229 N VAL A 80 12.153 -21.234 -6.435 1.00 21.20 N ATOM 1230 CA VAL A 80 12.289 -21.984 -5.192 1.00 63.10 C ATOM 1231 C VAL A 80 11.793 -23.416 -5.357 1.00 64.21 C ATOM 1232 O VAL A 80 12.229 -24.321 -4.644 1.00 53.24 O ATOM 1233 CB VAL A 80 11.513 -21.313 -4.044 1.00 11.24 C ATOM 1234 CG1 VAL A 80 12.106 -19.949 -3.723 1.00 62.31 C ATOM 1235 CG2 VAL A 80 10.038 -21.192 -4.397 1.00 63.01 C ATOM 0 H VAL A 80 11.337 -20.624 -6.472 1.00 21.20 H new ATOM 0 HA VAL A 80 13.350 -21.996 -4.945 1.00 63.10 H new ATOM 0 HB VAL A 80 11.601 -21.939 -3.156 1.00 11.24 H new ATOM 0 HG11 VAL A 80 11.544 -19.490 -2.909 1.00 62.31 H new ATOM 0 HG12 VAL A 80 13.148 -20.066 -3.424 1.00 62.31 H new ATOM 0 HG13 VAL A 80 12.052 -19.312 -4.606 1.00 62.31 H new ATOM 0 HG21 VAL A 80 9.505 -20.716 -3.574 1.00 63.01 H new ATOM 0 HG22 VAL A 80 9.928 -20.589 -5.298 1.00 63.01 H new ATOM 0 HG23 VAL A 80 9.623 -22.185 -4.572 1.00 63.01 H new ATOM 1245 N ASP A 81 10.881 -23.615 -6.302 1.00 32.13 N ATOM 1246 CA ASP A 81 10.326 -24.938 -6.562 1.00 71.33 C ATOM 1247 C ASP A 81 11.427 -25.924 -6.940 1.00 31.52 C ATOM 1248 O ASP A 81 11.312 -27.125 -6.692 1.00 51.00 O ATOM 1249 CB ASP A 81 9.283 -24.867 -7.679 1.00 43.41 C ATOM 1250 CG ASP A 81 8.640 -26.211 -7.957 1.00 53.24 C ATOM 1251 OD1 ASP A 81 8.742 -27.107 -7.094 1.00 64.34 O ATOM 1252 OD2 ASP A 81 8.034 -26.367 -9.039 1.00 0.54 O ATOM 0 H ASP A 81 10.510 -22.877 -6.901 1.00 32.13 H new ATOM 0 HA ASP A 81 9.846 -25.289 -5.649 1.00 71.33 H new ATOM 0 HB2 ASP A 81 8.511 -24.148 -7.406 1.00 43.41 H new ATOM 0 HB3 ASP A 81 9.755 -24.498 -8.590 1.00 43.41 H new ATOM 1257 N LYS A 82 12.494 -25.410 -7.542 1.00 32.11 N ATOM 1258 CA LYS A 82 13.617 -26.244 -7.954 1.00 75.13 C ATOM 1259 C LYS A 82 14.286 -26.891 -6.746 1.00 62.12 C ATOM 1260 O LYS A 82 14.921 -27.940 -6.863 1.00 54.22 O ATOM 1261 CB LYS A 82 14.638 -25.411 -8.732 1.00 23.50 C ATOM 1262 CG LYS A 82 14.151 -24.975 -10.103 1.00 34.43 C ATOM 1263 CD LYS A 82 13.820 -26.169 -10.983 1.00 24.11 C ATOM 1264 CE LYS A 82 14.204 -25.915 -12.433 1.00 34.52 C ATOM 1265 NZ LYS A 82 15.664 -26.098 -12.661 1.00 11.44 N ATOM 0 H LYS A 82 12.605 -24.419 -7.756 1.00 32.11 H new ATOM 0 HA LYS A 82 13.234 -27.034 -8.600 1.00 75.13 H new ATOM 0 HB2 LYS A 82 14.893 -24.526 -8.148 1.00 23.50 H new ATOM 0 HB3 LYS A 82 15.554 -25.991 -8.849 1.00 23.50 H new ATOM 0 HG2 LYS A 82 13.267 -24.347 -9.993 1.00 34.43 H new ATOM 0 HG3 LYS A 82 14.916 -24.367 -10.586 1.00 34.43 H new ATOM 0 HD2 LYS A 82 14.345 -27.050 -10.615 1.00 24.11 H new ATOM 0 HD3 LYS A 82 12.753 -26.384 -10.920 1.00 24.11 H new ATOM 0 HE2 LYS A 82 13.648 -26.593 -13.080 1.00 34.52 H new ATOM 0 HE3 LYS A 82 13.917 -24.901 -12.712 1.00 34.52 H new ATOM 0 HZ1 LYS A 82 15.885 -25.916 -13.661 1.00 11.44 H new ATOM 0 HZ2 LYS A 82 16.195 -25.433 -12.063 1.00 11.44 H new ATOM 0 HZ3 LYS A 82 15.934 -27.073 -12.419 1.00 11.44 H new ATOM 1279 N PHE A 83 14.140 -26.260 -5.586 1.00 32.32 N ATOM 1280 CA PHE A 83 14.730 -26.775 -4.356 1.00 23.22 C ATOM 1281 C PHE A 83 13.933 -27.963 -3.826 1.00 31.24 C ATOM 1282 O PHE A 83 14.484 -29.038 -3.584 1.00 44.14 O ATOM 1283 CB PHE A 83 14.793 -25.674 -3.295 1.00 72.21 C ATOM 1284 CG PHE A 83 15.444 -26.112 -2.014 1.00 72.13 C ATOM 1285 CD1 PHE A 83 14.723 -26.809 -1.058 1.00 72.44 C ATOM 1286 CD2 PHE A 83 16.777 -25.827 -1.766 1.00 52.25 C ATOM 1287 CE1 PHE A 83 15.319 -27.213 0.121 1.00 3.43 C ATOM 1288 CE2 PHE A 83 17.379 -26.228 -0.589 1.00 11.13 C ATOM 1289 CZ PHE A 83 16.649 -26.923 0.356 1.00 42.31 C ATOM 0 H PHE A 83 13.618 -25.391 -5.472 1.00 32.32 H new ATOM 0 HA PHE A 83 15.742 -27.111 -4.581 1.00 23.22 H new ATOM 0 HB2 PHE A 83 15.341 -24.822 -3.699 1.00 72.21 H new ATOM 0 HB3 PHE A 83 13.781 -25.330 -3.080 1.00 72.21 H new ATOM 0 HD1 PHE A 83 13.683 -27.039 -1.237 1.00 72.44 H new ATOM 0 HD2 PHE A 83 17.352 -25.285 -2.502 1.00 52.25 H new ATOM 0 HE1 PHE A 83 14.746 -27.755 0.858 1.00 3.43 H new ATOM 0 HE2 PHE A 83 18.419 -25.999 -0.408 1.00 11.13 H new ATOM 0 HZ PHE A 83 17.117 -27.239 1.277 1.00 42.31 H new ATOM 1299 N LEU A 84 12.632 -27.762 -3.646 1.00 2.13 N ATOM 1300 CA LEU A 84 11.757 -28.816 -3.143 1.00 42.54 C ATOM 1301 C LEU A 84 11.445 -29.832 -4.237 1.00 41.22 C ATOM 1302 O LEU A 84 10.847 -30.876 -3.977 1.00 23.02 O ATOM 1303 CB LEU A 84 10.458 -28.213 -2.605 1.00 61.32 C ATOM 1304 CG LEU A 84 9.579 -27.491 -3.627 1.00 61.31 C ATOM 1305 CD1 LEU A 84 8.499 -28.423 -4.155 1.00 44.04 C ATOM 1306 CD2 LEU A 84 8.957 -26.247 -3.011 1.00 3.40 C ATOM 0 H LEU A 84 12.160 -26.879 -3.841 1.00 2.13 H new ATOM 0 HA LEU A 84 12.275 -29.330 -2.333 1.00 42.54 H new ATOM 0 HB2 LEU A 84 9.871 -29.011 -2.151 1.00 61.32 H new ATOM 0 HB3 LEU A 84 10.709 -27.510 -1.811 1.00 61.32 H new ATOM 0 HG LEU A 84 10.206 -27.183 -4.464 1.00 61.31 H new ATOM 0 HD11 LEU A 84 7.883 -27.892 -4.881 1.00 44.04 H new ATOM 0 HD12 LEU A 84 8.964 -29.284 -4.635 1.00 44.04 H new ATOM 0 HD13 LEU A 84 7.875 -28.762 -3.328 1.00 44.04 H new ATOM 0 HD21 LEU A 84 8.335 -25.746 -3.753 1.00 3.40 H new ATOM 0 HD22 LEU A 84 8.344 -26.532 -2.156 1.00 3.40 H new ATOM 0 HD23 LEU A 84 9.746 -25.570 -2.682 1.00 3.40 H new ATOM 1318 N VAL A 85 11.856 -29.520 -5.462 1.00 52.14 N ATOM 1319 CA VAL A 85 11.623 -30.407 -6.596 1.00 23.23 C ATOM 1320 C VAL A 85 12.088 -31.826 -6.287 1.00 43.13 C ATOM 1321 O VAL A 85 11.568 -32.795 -6.841 1.00 44.44 O ATOM 1322 CB VAL A 85 12.347 -29.905 -7.859 1.00 54.14 C ATOM 1323 CG1 VAL A 85 13.799 -30.357 -7.859 1.00 72.40 C ATOM 1324 CG2 VAL A 85 11.629 -30.388 -9.111 1.00 24.12 C ATOM 0 H VAL A 85 12.352 -28.660 -5.695 1.00 52.14 H new ATOM 0 HA VAL A 85 10.549 -30.411 -6.780 1.00 23.23 H new ATOM 0 HB VAL A 85 12.332 -28.815 -7.856 1.00 54.14 H new ATOM 0 HG11 VAL A 85 14.294 -29.992 -8.759 1.00 72.40 H new ATOM 0 HG12 VAL A 85 14.305 -29.957 -6.980 1.00 72.40 H new ATOM 0 HG13 VAL A 85 13.841 -31.446 -7.838 1.00 72.40 H new ATOM 0 HG21 VAL A 85 12.154 -30.024 -9.994 1.00 24.12 H new ATOM 0 HG22 VAL A 85 11.611 -31.478 -9.123 1.00 24.12 H new ATOM 0 HG23 VAL A 85 10.607 -30.008 -9.114 1.00 24.12 H new ATOM 1334 N ARG A 86 13.070 -31.941 -5.399 1.00 63.03 N ATOM 1335 CA ARG A 86 13.606 -33.242 -5.017 1.00 43.12 C ATOM 1336 C ARG A 86 12.573 -34.047 -4.234 1.00 4.33 C ATOM 1337 O ARG A 86 12.155 -35.123 -4.661 1.00 51.31 O ATOM 1338 CB ARG A 86 14.875 -33.069 -4.180 1.00 42.35 C ATOM 1339 CG ARG A 86 16.123 -32.820 -5.011 1.00 65.33 C ATOM 1340 CD ARG A 86 17.121 -31.943 -4.270 1.00 74.42 C ATOM 1341 NE ARG A 86 18.485 -32.451 -4.384 1.00 5.55 N ATOM 1342 CZ ARG A 86 18.913 -33.552 -3.777 1.00 72.40 C ATOM 1343 NH1 ARG A 86 18.086 -34.259 -3.019 1.00 11.12 N ATOM 1344 NH2 ARG A 86 20.170 -33.950 -3.929 1.00 13.22 N ATOM 0 H ARG A 86 13.511 -31.149 -4.931 1.00 63.03 H new ATOM 0 HA ARG A 86 13.852 -33.787 -5.928 1.00 43.12 H new ATOM 0 HB2 ARG A 86 14.735 -32.236 -3.491 1.00 42.35 H new ATOM 0 HB3 ARG A 86 15.025 -33.962 -3.574 1.00 42.35 H new ATOM 0 HG2 ARG A 86 16.590 -33.772 -5.262 1.00 65.33 H new ATOM 0 HG3 ARG A 86 15.846 -32.343 -5.951 1.00 65.33 H new ATOM 0 HD2 ARG A 86 17.077 -30.929 -4.667 1.00 74.42 H new ATOM 0 HD3 ARG A 86 16.842 -31.886 -3.218 1.00 74.42 H new ATOM 0 HE ARG A 86 19.146 -31.932 -4.962 1.00 5.55 H new ATOM 0 HH11 ARG A 86 17.119 -33.958 -2.901 1.00 11.12 H new ATOM 0 HH12 ARG A 86 18.417 -35.104 -2.554 1.00 11.12 H new ATOM 0 HH21 ARG A 86 20.809 -33.410 -4.513 1.00 13.22 H new ATOM 0 HH22 ARG A 86 20.497 -34.796 -3.462 1.00 13.22 H new ATOM 1358 N VAL A 87 12.167 -33.518 -3.084 1.00 53.20 N ATOM 1359 CA VAL A 87 11.183 -34.186 -2.241 1.00 14.01 C ATOM 1360 C VAL A 87 9.881 -34.423 -2.998 1.00 13.12 C ATOM 1361 O VAL A 87 9.116 -35.331 -2.671 1.00 22.42 O ATOM 1362 CB VAL A 87 10.884 -33.368 -0.971 1.00 14.42 C ATOM 1363 CG1 VAL A 87 12.130 -33.248 -0.107 1.00 13.03 C ATOM 1364 CG2 VAL A 87 10.345 -31.993 -1.338 1.00 3.13 C ATOM 0 H VAL A 87 12.504 -32.629 -2.715 1.00 53.20 H new ATOM 0 HA VAL A 87 11.612 -35.146 -1.953 1.00 14.01 H new ATOM 0 HB VAL A 87 10.121 -33.891 -0.395 1.00 14.42 H new ATOM 0 HG11 VAL A 87 11.899 -32.667 0.786 1.00 13.03 H new ATOM 0 HG12 VAL A 87 12.468 -34.242 0.185 1.00 13.03 H new ATOM 0 HG13 VAL A 87 12.917 -32.749 -0.671 1.00 13.03 H new ATOM 0 HG21 VAL A 87 10.139 -31.428 -0.429 1.00 3.13 H new ATOM 0 HG22 VAL A 87 11.084 -31.460 -1.936 1.00 3.13 H new ATOM 0 HG23 VAL A 87 9.425 -32.104 -1.912 1.00 3.13 H new ATOM 1374 N HIS A 88 9.634 -33.600 -4.012 1.00 41.02 N ATOM 1375 CA HIS A 88 8.424 -33.721 -4.818 1.00 10.54 C ATOM 1376 C HIS A 88 8.544 -34.874 -5.809 1.00 41.33 C ATOM 1377 O HIS A 88 7.551 -35.319 -6.382 1.00 35.22 O ATOM 1378 CB HIS A 88 8.152 -32.415 -5.566 1.00 30.21 C ATOM 1379 CG HIS A 88 6.735 -32.276 -6.032 1.00 3.24 C ATOM 1380 ND1 HIS A 88 6.397 -31.788 -7.276 1.00 73.53 N ATOM 1381 CD2 HIS A 88 5.567 -32.565 -5.412 1.00 2.11 C ATOM 1382 CE1 HIS A 88 5.082 -31.782 -7.401 1.00 74.14 C ATOM 1383 NE2 HIS A 88 4.555 -32.249 -6.284 1.00 15.11 N ATOM 0 H HIS A 88 10.255 -32.842 -4.295 1.00 41.02 H new ATOM 0 HA HIS A 88 7.590 -33.928 -4.148 1.00 10.54 H new ATOM 0 HB2 HIS A 88 8.396 -31.575 -4.915 1.00 30.21 H new ATOM 0 HB3 HIS A 88 8.817 -32.354 -6.428 1.00 30.21 H new ATOM 0 HD2 HIS A 88 5.453 -32.969 -4.417 1.00 2.11 H new ATOM 0 HE1 HIS A 88 4.531 -31.451 -8.269 1.00 74.14 H new ATOM 0 HE2 HIS A 88 3.558 -32.357 -6.099 1.00 15.11 H new ATOM 1391 N GLY A 89 9.769 -35.352 -6.008 1.00 33.31 N ATOM 1392 CA GLY A 89 9.996 -36.448 -6.931 1.00 60.54 C ATOM 1393 C GLY A 89 10.362 -35.969 -8.322 1.00 1.31 C ATOM 1394 O GLY A 89 11.059 -36.662 -9.062 1.00 63.34 O ATOM 0 H GLY A 89 10.608 -35.000 -5.546 1.00 33.31 H new ATOM 0 HA2 GLY A 89 10.795 -37.083 -6.547 1.00 60.54 H new ATOM 0 HA3 GLY A 89 9.098 -37.064 -6.987 1.00 60.54 H new ATOM 1398 N VAL A 90 9.890 -34.779 -8.679 1.00 53.42 N ATOM 1399 CA VAL A 90 10.171 -34.207 -9.991 1.00 12.25 C ATOM 1400 C VAL A 90 11.656 -33.904 -10.151 1.00 2.51 C ATOM 1401 O VAL A 90 12.354 -33.636 -9.173 1.00 53.21 O ATOM 1402 CB VAL A 90 9.366 -32.914 -10.223 1.00 61.34 C ATOM 1403 CG1 VAL A 90 9.498 -32.456 -11.668 1.00 35.21 C ATOM 1404 CG2 VAL A 90 7.906 -33.122 -9.852 1.00 73.32 C ATOM 0 H VAL A 90 9.311 -34.192 -8.078 1.00 53.42 H new ATOM 0 HA VAL A 90 9.873 -34.950 -10.731 1.00 12.25 H new ATOM 0 HB VAL A 90 9.772 -32.133 -9.580 1.00 61.34 H new ATOM 0 HG11 VAL A 90 8.923 -31.542 -11.814 1.00 35.21 H new ATOM 0 HG12 VAL A 90 10.547 -32.265 -11.895 1.00 35.21 H new ATOM 0 HG13 VAL A 90 9.119 -33.233 -12.332 1.00 35.21 H new ATOM 0 HG21 VAL A 90 7.352 -32.199 -10.022 1.00 73.32 H new ATOM 0 HG22 VAL A 90 7.484 -33.917 -10.467 1.00 73.32 H new ATOM 0 HG23 VAL A 90 7.834 -33.400 -8.800 1.00 73.32 H new ATOM 1414 N GLU A 91 12.133 -33.947 -11.391 1.00 61.10 N ATOM 1415 CA GLU A 91 13.537 -33.677 -11.679 1.00 31.01 C ATOM 1416 C GLU A 91 13.699 -32.334 -12.385 1.00 72.12 C ATOM 1417 O GLU A 91 12.774 -31.820 -13.015 1.00 2.21 O ATOM 1418 CB GLU A 91 14.128 -34.794 -12.542 1.00 34.03 C ATOM 1419 CG GLU A 91 13.222 -35.224 -13.684 1.00 25.43 C ATOM 1420 CD GLU A 91 13.948 -36.061 -14.719 1.00 72.44 C ATOM 1421 OE1 GLU A 91 15.038 -36.581 -14.405 1.00 25.52 O ATOM 1422 OE2 GLU A 91 13.424 -36.196 -15.845 1.00 73.30 O ATOM 0 H GLU A 91 11.568 -34.166 -12.212 1.00 61.10 H new ATOM 0 HA GLU A 91 14.074 -33.637 -10.732 1.00 31.01 H new ATOM 0 HB2 GLU A 91 15.081 -34.460 -12.952 1.00 34.03 H new ATOM 0 HB3 GLU A 91 14.338 -35.657 -11.911 1.00 34.03 H new ATOM 0 HG2 GLU A 91 12.384 -35.794 -13.283 1.00 25.43 H new ATOM 0 HG3 GLU A 91 12.805 -34.339 -14.165 1.00 25.43 H new ATOM 1429 N PRO A 92 14.902 -31.751 -12.278 1.00 61.25 N ATOM 1430 CA PRO A 92 15.215 -30.461 -12.900 1.00 14.21 C ATOM 1431 C PRO A 92 15.285 -30.551 -14.420 1.00 74.54 C ATOM 1432 O PRO A 92 15.937 -31.440 -14.969 1.00 51.44 O ATOM 1433 CB PRO A 92 16.588 -30.112 -12.321 1.00 40.22 C ATOM 1434 CG PRO A 92 17.193 -31.425 -11.964 1.00 24.22 C ATOM 1435 CD PRO A 92 16.050 -32.307 -11.543 1.00 65.34 C ATOM 0 HA PRO A 92 14.448 -29.714 -12.696 1.00 14.21 H new ATOM 0 HB2 PRO A 92 17.200 -29.579 -13.048 1.00 40.22 H new ATOM 0 HB3 PRO A 92 16.497 -29.467 -11.447 1.00 40.22 H new ATOM 0 HG2 PRO A 92 17.724 -31.854 -12.814 1.00 24.22 H new ATOM 0 HG3 PRO A 92 17.918 -31.314 -11.158 1.00 24.22 H new ATOM 0 HD2 PRO A 92 16.229 -33.350 -11.806 1.00 65.34 H new ATOM 0 HD3 PRO A 92 15.892 -32.273 -10.465 1.00 65.34 H new ATOM 1443 N ASP A 93 14.609 -29.628 -15.095 1.00 45.42 N ATOM 1444 CA ASP A 93 14.597 -29.602 -16.553 1.00 75.52 C ATOM 1445 C ASP A 93 14.385 -28.183 -17.070 1.00 40.04 C ATOM 1446 O ASP A 93 14.108 -27.265 -16.298 1.00 73.20 O ATOM 1447 CB ASP A 93 13.500 -30.523 -17.091 1.00 32.13 C ATOM 1448 CG ASP A 93 12.108 -30.023 -16.755 1.00 24.41 C ATOM 1449 OD1 ASP A 93 11.911 -29.534 -15.623 1.00 62.31 O ATOM 1450 OD2 ASP A 93 11.216 -30.122 -17.624 1.00 24.34 O ATOM 0 H ASP A 93 14.062 -28.888 -14.656 1.00 45.42 H new ATOM 0 HA ASP A 93 15.565 -29.957 -16.906 1.00 75.52 H new ATOM 0 HB2 ASP A 93 13.601 -30.610 -18.173 1.00 32.13 H new ATOM 0 HB3 ASP A 93 13.634 -31.523 -16.677 1.00 32.13 H new ATOM 1455 N ASP A 94 14.519 -28.010 -18.381 1.00 32.33 N ATOM 1456 CA ASP A 94 14.342 -26.703 -19.001 1.00 44.55 C ATOM 1457 C ASP A 94 12.912 -26.526 -19.500 1.00 75.32 C ATOM 1458 O ASP A 94 12.418 -25.405 -19.617 1.00 22.42 O ATOM 1459 CB ASP A 94 15.325 -26.528 -20.161 1.00 12.24 C ATOM 1460 CG ASP A 94 15.149 -27.585 -21.233 1.00 54.42 C ATOM 1461 OD1 ASP A 94 15.777 -28.658 -21.118 1.00 32.11 O ATOM 1462 OD2 ASP A 94 14.382 -27.339 -22.187 1.00 51.35 O ATOM 0 H ASP A 94 14.750 -28.759 -19.034 1.00 32.33 H new ATOM 0 HA ASP A 94 14.541 -25.941 -18.247 1.00 44.55 H new ATOM 0 HB2 ASP A 94 15.189 -25.541 -20.603 1.00 12.24 H new ATOM 0 HB3 ASP A 94 16.345 -26.569 -19.779 1.00 12.24 H new ATOM 1467 N ASN A 95 12.251 -27.642 -19.794 1.00 41.41 N ATOM 1468 CA ASN A 95 10.877 -27.610 -20.282 1.00 61.32 C ATOM 1469 C ASN A 95 9.932 -27.075 -19.211 1.00 54.54 C ATOM 1470 O ASN A 95 9.205 -26.106 -19.436 1.00 73.25 O ATOM 1471 CB ASN A 95 10.435 -29.010 -20.715 1.00 4.14 C ATOM 1472 CG ASN A 95 11.205 -29.512 -21.921 1.00 24.34 C ATOM 1473 OD1 ASN A 95 11.644 -28.728 -22.762 1.00 1.22 O ATOM 1474 ND2 ASN A 95 11.373 -30.827 -22.010 1.00 13.32 N ATOM 0 H ASN A 95 12.645 -28.579 -19.703 1.00 41.41 H new ATOM 0 HA ASN A 95 10.838 -26.942 -21.142 1.00 61.32 H new ATOM 0 HB2 ASN A 95 10.572 -29.704 -19.886 1.00 4.14 H new ATOM 0 HB3 ASN A 95 9.370 -28.996 -20.947 1.00 4.14 H new ATOM 0 HD21 ASN A 95 11.883 -31.224 -22.799 1.00 13.32 H new ATOM 0 HD22 ASN A 95 10.992 -31.440 -21.289 1.00 13.32 H new ATOM 1481 N THR A 96 9.947 -27.711 -18.044 1.00 53.21 N ATOM 1482 CA THR A 96 9.091 -27.299 -16.938 1.00 61.53 C ATOM 1483 C THR A 96 9.525 -25.949 -16.381 1.00 12.34 C ATOM 1484 O THR A 96 8.727 -25.229 -15.782 1.00 53.33 O ATOM 1485 CB THR A 96 9.103 -28.339 -15.802 1.00 21.21 C ATOM 1486 OG1 THR A 96 8.998 -29.660 -16.345 1.00 54.10 O ATOM 1487 CG2 THR A 96 7.959 -28.092 -14.830 1.00 61.12 C ATOM 0 H THR A 96 10.543 -28.514 -17.840 1.00 53.21 H new ATOM 0 HA THR A 96 8.079 -27.217 -17.334 1.00 61.53 H new ATOM 0 HB THR A 96 10.045 -28.243 -15.262 1.00 21.21 H new ATOM 0 HG1 THR A 96 9.738 -29.818 -16.968 1.00 54.10 H new ATOM 0 HG21 THR A 96 7.988 -28.839 -14.037 1.00 61.12 H new ATOM 0 HG22 THR A 96 8.059 -27.097 -14.396 1.00 61.12 H new ATOM 0 HG23 THR A 96 7.009 -28.163 -15.360 1.00 61.12 H new ATOM 1495 N ASN A 97 10.794 -25.611 -16.581 1.00 44.24 N ATOM 1496 CA ASN A 97 11.334 -24.345 -16.098 1.00 61.10 C ATOM 1497 C ASN A 97 10.491 -23.172 -16.588 1.00 44.35 C ATOM 1498 O ASN A 97 10.424 -22.128 -15.940 1.00 62.32 O ATOM 1499 CB ASN A 97 12.783 -24.175 -16.560 1.00 31.15 C ATOM 1500 CG ASN A 97 13.529 -23.132 -15.750 1.00 52.23 C ATOM 1501 OD1 ASN A 97 12.926 -22.211 -15.198 1.00 24.33 O ATOM 1502 ND2 ASN A 97 14.847 -23.271 -15.677 1.00 64.34 N ATOM 0 H ASN A 97 11.468 -26.196 -17.074 1.00 44.24 H new ATOM 0 HA ASN A 97 11.307 -24.359 -15.008 1.00 61.10 H new ATOM 0 HB2 ASN A 97 13.301 -25.131 -16.482 1.00 31.15 H new ATOM 0 HB3 ASN A 97 12.795 -23.891 -17.612 1.00 31.15 H new ATOM 0 HD21 ASN A 97 15.402 -22.599 -15.147 1.00 64.34 H new ATOM 0 HD22 ASN A 97 15.305 -24.050 -16.150 1.00 64.34 H new ATOM 1509 N GLY A 98 9.849 -23.351 -17.739 1.00 31.33 N ATOM 1510 CA GLY A 98 9.019 -22.300 -18.297 1.00 14.14 C ATOM 1511 C GLY A 98 9.777 -21.001 -18.487 1.00 22.44 C ATOM 1512 O GLY A 98 9.180 -19.925 -18.528 1.00 22.45 O ATOM 0 H GLY A 98 9.889 -24.205 -18.295 1.00 31.33 H new ATOM 0 HA2 GLY A 98 8.620 -22.628 -19.257 1.00 14.14 H new ATOM 0 HA3 GLY A 98 8.167 -22.127 -17.640 1.00 14.14 H new ATOM 1516 N PHE A 99 11.097 -21.101 -18.602 1.00 4.45 N ATOM 1517 CA PHE A 99 11.939 -19.924 -18.785 1.00 63.24 C ATOM 1518 C PHE A 99 11.899 -19.447 -20.234 1.00 73.54 C ATOM 1519 O PHE A 99 12.107 -18.268 -20.518 1.00 44.23 O ATOM 1520 CB PHE A 99 13.381 -20.234 -18.379 1.00 24.41 C ATOM 1521 CG PHE A 99 14.275 -19.027 -18.373 1.00 65.54 C ATOM 1522 CD1 PHE A 99 13.856 -17.841 -17.795 1.00 14.43 C ATOM 1523 CD2 PHE A 99 15.536 -19.080 -18.946 1.00 51.15 C ATOM 1524 CE1 PHE A 99 14.676 -16.728 -17.789 1.00 61.41 C ATOM 1525 CE2 PHE A 99 16.361 -17.971 -18.943 1.00 40.05 C ATOM 1526 CZ PHE A 99 15.931 -16.794 -18.363 1.00 73.00 C ATOM 0 H PHE A 99 11.607 -21.984 -18.572 1.00 4.45 H new ATOM 0 HA PHE A 99 11.552 -19.129 -18.148 1.00 63.24 H new ATOM 0 HB2 PHE A 99 13.382 -20.682 -17.385 1.00 24.41 H new ATOM 0 HB3 PHE A 99 13.791 -20.977 -19.064 1.00 24.41 H new ATOM 0 HD1 PHE A 99 12.877 -17.785 -17.343 1.00 14.43 H new ATOM 0 HD2 PHE A 99 15.878 -19.998 -19.400 1.00 51.15 H new ATOM 0 HE1 PHE A 99 14.336 -15.808 -17.336 1.00 61.41 H new ATOM 0 HE2 PHE A 99 17.341 -18.025 -19.394 1.00 40.05 H new ATOM 0 HZ PHE A 99 16.574 -15.927 -18.358 1.00 73.00 H new ATOM 1536 N LYS A 100 11.629 -20.374 -21.148 1.00 41.42 N ATOM 1537 CA LYS A 100 11.560 -20.051 -22.568 1.00 50.44 C ATOM 1538 C LYS A 100 10.478 -19.010 -22.838 1.00 10.35 C ATOM 1539 O LYS A 100 10.666 -18.098 -23.642 1.00 62.32 O ATOM 1540 CB LYS A 100 11.282 -21.314 -23.387 1.00 4.42 C ATOM 1541 CG LYS A 100 11.437 -21.114 -24.885 1.00 23.05 C ATOM 1542 CD LYS A 100 12.899 -21.109 -25.298 1.00 45.11 C ATOM 1543 CE LYS A 100 13.440 -22.522 -25.453 1.00 31.21 C ATOM 1544 NZ LYS A 100 14.876 -22.527 -25.846 1.00 4.25 N ATOM 0 H LYS A 100 11.454 -21.355 -20.930 1.00 41.42 H new ATOM 0 HA LYS A 100 12.522 -19.635 -22.867 1.00 50.44 H new ATOM 0 HB2 LYS A 100 11.959 -22.104 -23.062 1.00 4.42 H new ATOM 0 HB3 LYS A 100 10.269 -21.657 -23.178 1.00 4.42 H new ATOM 0 HG2 LYS A 100 10.911 -21.908 -25.415 1.00 23.05 H new ATOM 0 HG3 LYS A 100 10.972 -20.173 -25.177 1.00 23.05 H new ATOM 0 HD2 LYS A 100 13.010 -20.571 -26.239 1.00 45.11 H new ATOM 0 HD3 LYS A 100 13.487 -20.573 -24.553 1.00 45.11 H new ATOM 0 HE2 LYS A 100 13.319 -23.062 -24.514 1.00 31.21 H new ATOM 0 HE3 LYS A 100 12.856 -23.054 -26.204 1.00 31.21 H new ATOM 0 HZ1 LYS A 100 15.206 -23.508 -25.941 1.00 4.25 H new ATOM 0 HZ2 LYS A 100 14.989 -22.034 -26.755 1.00 4.25 H new ATOM 0 HZ3 LYS A 100 15.437 -22.042 -25.117 1.00 4.25 H new ATOM 1558 N GLY A 101 9.344 -19.151 -22.157 1.00 63.22 N ATOM 1559 CA GLY A 101 8.250 -18.215 -22.336 1.00 71.23 C ATOM 1560 C GLY A 101 8.432 -16.948 -21.524 1.00 71.15 C ATOM 1561 O GLY A 101 8.212 -15.844 -22.025 1.00 33.23 O ATOM 0 H GLY A 101 9.164 -19.897 -21.485 1.00 63.22 H new ATOM 0 HA2 GLY A 101 8.166 -17.957 -23.392 1.00 71.23 H new ATOM 0 HA3 GLY A 101 7.314 -18.695 -22.049 1.00 71.23 H new ATOM 1565 N LEU A 102 8.833 -17.105 -20.268 1.00 23.21 N ATOM 1566 CA LEU A 102 9.043 -15.964 -19.384 1.00 24.14 C ATOM 1567 C LEU A 102 10.138 -15.050 -19.924 1.00 64.44 C ATOM 1568 O LEU A 102 9.970 -13.833 -19.987 1.00 73.01 O ATOM 1569 CB LEU A 102 9.411 -16.444 -17.978 1.00 44.24 C ATOM 1570 CG LEU A 102 9.978 -15.383 -17.034 1.00 65.22 C ATOM 1571 CD1 LEU A 102 8.926 -14.332 -16.719 1.00 0.41 C ATOM 1572 CD2 LEU A 102 10.491 -16.028 -15.755 1.00 2.44 C ATOM 0 H LEU A 102 9.019 -18.011 -19.838 1.00 23.21 H new ATOM 0 HA LEU A 102 8.113 -15.397 -19.337 1.00 24.14 H new ATOM 0 HB2 LEU A 102 8.521 -16.873 -17.518 1.00 44.24 H new ATOM 0 HB3 LEU A 102 10.141 -17.248 -18.070 1.00 44.24 H new ATOM 0 HG LEU A 102 10.815 -14.891 -17.530 1.00 65.22 H new ATOM 0 HD11 LEU A 102 9.348 -13.585 -16.046 1.00 0.41 H new ATOM 0 HD12 LEU A 102 8.606 -13.849 -17.642 1.00 0.41 H new ATOM 0 HD13 LEU A 102 8.068 -14.807 -16.242 1.00 0.41 H new ATOM 0 HD21 LEU A 102 10.891 -15.259 -15.095 1.00 2.44 H new ATOM 0 HD22 LEU A 102 9.672 -16.546 -15.255 1.00 2.44 H new ATOM 0 HD23 LEU A 102 11.278 -16.742 -15.998 1.00 2.44 H new ATOM 1584 N MET A 103 11.260 -15.647 -20.316 1.00 12.32 N ATOM 1585 CA MET A 103 12.381 -14.886 -20.855 1.00 23.30 C ATOM 1586 C MET A 103 11.939 -14.029 -22.036 1.00 53.52 C ATOM 1587 O MET A 103 12.386 -12.892 -22.194 1.00 64.51 O ATOM 1588 CB MET A 103 13.504 -15.831 -21.288 1.00 4.41 C ATOM 1589 CG MET A 103 14.705 -15.114 -21.884 1.00 2.24 C ATOM 1590 SD MET A 103 15.703 -14.276 -20.637 1.00 32.11 S ATOM 1591 CE MET A 103 15.255 -12.568 -20.937 1.00 1.01 C ATOM 0 H MET A 103 11.416 -16.654 -20.270 1.00 12.32 H new ATOM 0 HA MET A 103 12.752 -14.227 -20.070 1.00 23.30 H new ATOM 0 HB2 MET A 103 13.830 -16.414 -20.426 1.00 4.41 H new ATOM 0 HB3 MET A 103 13.112 -16.537 -22.020 1.00 4.41 H new ATOM 0 HG2 MET A 103 15.326 -15.834 -22.417 1.00 2.24 H new ATOM 0 HG3 MET A 103 14.361 -14.385 -22.618 1.00 2.24 H new ATOM 0 HE1 MET A 103 16.144 -11.941 -20.869 1.00 1.01 H new ATOM 0 HE2 MET A 103 14.821 -12.475 -21.932 1.00 1.01 H new ATOM 0 HE3 MET A 103 14.527 -12.247 -20.192 1.00 1.01 H new ATOM 1601 N LYS A 104 11.057 -14.579 -22.864 1.00 64.11 N ATOM 1602 CA LYS A 104 10.553 -13.865 -24.031 1.00 10.21 C ATOM 1603 C LYS A 104 9.472 -12.866 -23.632 1.00 13.33 C ATOM 1604 O LYS A 104 9.315 -11.821 -24.264 1.00 72.10 O ATOM 1605 CB LYS A 104 9.995 -14.853 -25.058 1.00 21.04 C ATOM 1606 CG LYS A 104 11.068 -15.646 -25.784 1.00 51.43 C ATOM 1607 CD LYS A 104 11.862 -14.767 -26.736 1.00 51.32 C ATOM 1608 CE LYS A 104 12.861 -15.581 -27.544 1.00 4.44 C ATOM 1609 NZ LYS A 104 12.203 -16.325 -28.653 1.00 22.23 N ATOM 0 H LYS A 104 10.676 -15.518 -22.748 1.00 64.11 H new ATOM 0 HA LYS A 104 11.383 -13.317 -24.477 1.00 10.21 H new ATOM 0 HB2 LYS A 104 9.321 -15.546 -24.554 1.00 21.04 H new ATOM 0 HB3 LYS A 104 9.401 -14.306 -25.790 1.00 21.04 H new ATOM 0 HG2 LYS A 104 11.742 -16.098 -25.057 1.00 51.43 H new ATOM 0 HG3 LYS A 104 10.606 -16.461 -26.340 1.00 51.43 H new ATOM 0 HD2 LYS A 104 11.180 -14.252 -27.412 1.00 51.32 H new ATOM 0 HD3 LYS A 104 12.390 -14.000 -26.170 1.00 51.32 H new ATOM 0 HE2 LYS A 104 13.623 -14.918 -27.954 1.00 4.44 H new ATOM 0 HE3 LYS A 104 13.371 -16.285 -26.887 1.00 4.44 H new ATOM 0 HZ1 LYS A 104 12.918 -16.867 -29.179 1.00 22.23 H new ATOM 0 HZ2 LYS A 104 11.494 -16.977 -28.261 1.00 22.23 H new ATOM 0 HZ3 LYS A 104 11.737 -15.652 -29.294 1.00 22.23 H new ATOM 1623 N ARG A 105 8.730 -13.193 -22.579 1.00 11.34 N ATOM 1624 CA ARG A 105 7.664 -12.323 -22.095 1.00 71.44 C ATOM 1625 C ARG A 105 8.239 -11.107 -21.375 1.00 74.21 C ATOM 1626 O ARG A 105 7.606 -10.052 -21.313 1.00 24.24 O ATOM 1627 CB ARG A 105 6.735 -13.094 -21.156 1.00 32.13 C ATOM 1628 CG ARG A 105 5.575 -13.771 -21.867 1.00 35.24 C ATOM 1629 CD ARG A 105 4.941 -14.847 -20.999 1.00 31.22 C ATOM 1630 NE ARG A 105 3.586 -15.174 -21.434 1.00 72.14 N ATOM 1631 CZ ARG A 105 2.909 -16.232 -21.000 1.00 44.33 C ATOM 1632 NH1 ARG A 105 3.459 -17.060 -20.123 1.00 61.00 N ATOM 1633 NH2 ARG A 105 1.680 -16.462 -21.444 1.00 21.25 N ATOM 0 H ARG A 105 8.847 -14.054 -22.045 1.00 11.34 H new ATOM 0 HA ARG A 105 7.093 -11.976 -22.956 1.00 71.44 H new ATOM 0 HB2 ARG A 105 7.315 -13.849 -20.624 1.00 32.13 H new ATOM 0 HB3 ARG A 105 6.340 -12.409 -20.406 1.00 32.13 H new ATOM 0 HG2 ARG A 105 4.824 -13.026 -22.131 1.00 35.24 H new ATOM 0 HG3 ARG A 105 5.927 -14.214 -22.799 1.00 35.24 H new ATOM 0 HD2 ARG A 105 5.557 -15.745 -21.028 1.00 31.22 H new ATOM 0 HD3 ARG A 105 4.917 -14.509 -19.963 1.00 31.22 H new ATOM 0 HE ARG A 105 3.134 -14.556 -22.108 1.00 72.14 H new ATOM 0 HH11 ARG A 105 4.404 -16.886 -19.780 1.00 61.00 H new ATOM 0 HH12 ARG A 105 2.938 -17.871 -19.791 1.00 61.00 H new ATOM 0 HH21 ARG A 105 1.254 -15.827 -22.119 1.00 21.25 H new ATOM 0 HH22 ARG A 105 1.161 -17.274 -21.110 1.00 21.25 H new ATOM 1647 N THR A 106 9.442 -11.262 -20.831 1.00 51.33 N ATOM 1648 CA THR A 106 10.101 -10.178 -20.114 1.00 44.10 C ATOM 1649 C THR A 106 10.659 -9.139 -21.080 1.00 12.52 C ATOM 1650 O THR A 106 10.377 -7.946 -20.956 1.00 45.00 O ATOM 1651 CB THR A 106 11.246 -10.705 -19.228 1.00 61.13 C ATOM 1652 OG1 THR A 106 12.173 -11.455 -20.021 1.00 44.20 O ATOM 1653 CG2 THR A 106 10.704 -11.581 -18.109 1.00 4.15 C ATOM 0 H THR A 106 9.980 -12.128 -20.873 1.00 51.33 H new ATOM 0 HA THR A 106 9.345 -9.713 -19.481 1.00 44.10 H new ATOM 0 HB THR A 106 11.756 -9.850 -18.784 1.00 61.13 H new ATOM 0 HG1 THR A 106 11.698 -11.881 -20.765 1.00 44.20 H new ATOM 0 HG21 THR A 106 11.530 -11.942 -17.497 1.00 4.15 H new ATOM 0 HG22 THR A 106 10.021 -10.999 -17.490 1.00 4.15 H new ATOM 0 HG23 THR A 106 10.172 -12.431 -18.537 1.00 4.15 H new ATOM 1661 N THR A 107 11.451 -9.598 -22.044 1.00 2.34 N ATOM 1662 CA THR A 107 12.049 -8.708 -23.031 1.00 13.52 C ATOM 1663 C THR A 107 10.987 -7.856 -23.717 1.00 10.41 C ATOM 1664 O THR A 107 11.193 -6.667 -23.963 1.00 62.12 O ATOM 1665 CB THR A 107 12.828 -9.496 -24.100 1.00 74.52 C ATOM 1666 OG1 THR A 107 13.306 -8.606 -25.115 1.00 33.04 O ATOM 1667 CG2 THR A 107 11.949 -10.566 -24.730 1.00 73.35 C ATOM 0 H THR A 107 11.693 -10.582 -22.162 1.00 2.34 H new ATOM 0 HA THR A 107 12.741 -8.059 -22.494 1.00 13.52 H new ATOM 0 HB THR A 107 13.675 -9.982 -23.616 1.00 74.52 H new ATOM 0 HG1 THR A 107 13.802 -9.115 -25.790 1.00 33.04 H new ATOM 0 HG21 THR A 107 12.520 -11.110 -25.482 1.00 73.35 H new ATOM 0 HG22 THR A 107 11.611 -11.259 -23.960 1.00 73.35 H new ATOM 0 HG23 THR A 107 11.085 -10.097 -25.200 1.00 73.35 H new ATOM 1675 N LYS A 108 9.849 -8.470 -24.023 1.00 44.14 N ATOM 1676 CA LYS A 108 8.753 -7.768 -24.680 1.00 11.12 C ATOM 1677 C LYS A 108 8.233 -6.632 -23.805 1.00 3.51 C ATOM 1678 O LYS A 108 7.834 -5.580 -24.307 1.00 62.15 O ATOM 1679 CB LYS A 108 7.616 -8.741 -24.999 1.00 54.11 C ATOM 1680 CG LYS A 108 7.492 -9.068 -26.477 1.00 52.22 C ATOM 1681 CD LYS A 108 8.656 -9.916 -26.960 1.00 21.50 C ATOM 1682 CE LYS A 108 8.460 -10.365 -28.400 1.00 53.52 C ATOM 1683 NZ LYS A 108 7.724 -11.656 -28.484 1.00 35.33 N ATOM 0 H LYS A 108 9.662 -9.453 -23.826 1.00 44.14 H new ATOM 0 HA LYS A 108 9.132 -7.343 -25.610 1.00 11.12 H new ATOM 0 HB2 LYS A 108 7.773 -9.665 -24.443 1.00 54.11 H new ATOM 0 HB3 LYS A 108 6.676 -8.315 -24.650 1.00 54.11 H new ATOM 0 HG2 LYS A 108 6.556 -9.597 -26.656 1.00 52.22 H new ATOM 0 HG3 LYS A 108 7.451 -8.143 -27.053 1.00 52.22 H new ATOM 0 HD2 LYS A 108 9.581 -9.346 -26.879 1.00 21.50 H new ATOM 0 HD3 LYS A 108 8.762 -10.790 -26.317 1.00 21.50 H new ATOM 0 HE2 LYS A 108 7.912 -9.598 -28.948 1.00 53.52 H new ATOM 0 HE3 LYS A 108 9.431 -10.469 -28.883 1.00 53.52 H new ATOM 0 HZ1 LYS A 108 7.611 -11.927 -29.482 1.00 35.33 H new ATOM 0 HZ2 LYS A 108 8.259 -12.394 -27.983 1.00 35.33 H new ATOM 0 HZ3 LYS A 108 6.787 -11.550 -28.046 1.00 35.33 H new ATOM 1697 N LEU A 109 8.242 -6.849 -22.494 1.00 51.44 N ATOM 1698 CA LEU A 109 7.773 -5.842 -21.549 1.00 12.50 C ATOM 1699 C LEU A 109 8.821 -4.752 -21.349 1.00 42.23 C ATOM 1700 O LEU A 109 8.489 -3.599 -21.070 1.00 53.04 O ATOM 1701 CB LEU A 109 7.435 -6.492 -20.206 1.00 71.14 C ATOM 1702 CG LEU A 109 6.106 -7.246 -20.142 1.00 22.24 C ATOM 1703 CD1 LEU A 109 6.041 -8.106 -18.889 1.00 10.23 C ATOM 1704 CD2 LEU A 109 4.938 -6.272 -20.184 1.00 74.50 C ATOM 0 H LEU A 109 8.569 -7.713 -22.062 1.00 51.44 H new ATOM 0 HA LEU A 109 6.874 -5.384 -21.961 1.00 12.50 H new ATOM 0 HB2 LEU A 109 8.236 -7.185 -19.948 1.00 71.14 H new ATOM 0 HB3 LEU A 109 7.427 -5.716 -19.441 1.00 71.14 H new ATOM 0 HG LEU A 109 6.039 -7.900 -21.011 1.00 22.24 H new ATOM 0 HD11 LEU A 109 5.089 -8.635 -18.860 1.00 10.23 H new ATOM 0 HD12 LEU A 109 6.857 -8.828 -18.901 1.00 10.23 H new ATOM 0 HD13 LEU A 109 6.131 -7.472 -18.007 1.00 10.23 H new ATOM 0 HD21 LEU A 109 4.000 -6.826 -20.138 1.00 74.50 H new ATOM 0 HD22 LEU A 109 5.000 -5.592 -19.334 1.00 74.50 H new ATOM 0 HD23 LEU A 109 4.975 -5.699 -21.110 1.00 74.50 H new ATOM 1716 N LEU A 110 10.088 -5.123 -21.496 1.00 22.22 N ATOM 1717 CA LEU A 110 11.187 -4.177 -21.334 1.00 14.21 C ATOM 1718 C LEU A 110 11.206 -3.165 -22.475 1.00 11.20 C ATOM 1719 O LEU A 110 11.780 -2.083 -22.350 1.00 42.23 O ATOM 1720 CB LEU A 110 12.522 -4.921 -21.274 1.00 11.50 C ATOM 1721 CG LEU A 110 13.014 -5.305 -19.878 1.00 71.22 C ATOM 1722 CD1 LEU A 110 12.069 -6.309 -19.237 1.00 72.41 C ATOM 1723 CD2 LEU A 110 14.426 -5.868 -19.947 1.00 2.43 C ATOM 0 H LEU A 110 10.380 -6.073 -21.727 1.00 22.22 H new ATOM 0 HA LEU A 110 11.036 -3.639 -20.398 1.00 14.21 H new ATOM 0 HB2 LEU A 110 12.436 -5.830 -21.870 1.00 11.50 H new ATOM 0 HB3 LEU A 110 13.283 -4.300 -21.748 1.00 11.50 H new ATOM 0 HG LEU A 110 13.032 -4.407 -19.260 1.00 71.22 H new ATOM 0 HD11 LEU A 110 12.435 -6.571 -18.244 1.00 72.41 H new ATOM 0 HD12 LEU A 110 11.075 -5.871 -19.153 1.00 72.41 H new ATOM 0 HD13 LEU A 110 12.019 -7.207 -19.853 1.00 72.41 H new ATOM 0 HD21 LEU A 110 14.760 -6.136 -18.945 1.00 2.43 H new ATOM 0 HD22 LEU A 110 14.434 -6.754 -20.581 1.00 2.43 H new ATOM 0 HD23 LEU A 110 15.097 -5.117 -20.365 1.00 2.43 H new ATOM 1735 N LYS A 111 10.573 -3.522 -23.587 1.00 33.50 N ATOM 1736 CA LYS A 111 10.513 -2.645 -24.750 1.00 63.21 C ATOM 1737 C LYS A 111 9.878 -1.306 -24.390 1.00 23.03 C ATOM 1738 O LYS A 111 10.055 -0.313 -25.096 1.00 3.03 O ATOM 1739 CB LYS A 111 9.720 -3.311 -25.877 1.00 30.12 C ATOM 1740 CG LYS A 111 8.218 -3.115 -25.761 1.00 62.41 C ATOM 1741 CD LYS A 111 7.462 -4.022 -26.718 1.00 44.01 C ATOM 1742 CE LYS A 111 7.239 -3.349 -28.064 1.00 22.40 C ATOM 1743 NZ LYS A 111 6.011 -3.853 -28.739 1.00 63.50 N ATOM 0 H LYS A 111 10.094 -4.414 -23.707 1.00 33.50 H new ATOM 0 HA LYS A 111 11.533 -2.464 -25.090 1.00 63.21 H new ATOM 0 HB2 LYS A 111 10.058 -2.911 -26.833 1.00 30.12 H new ATOM 0 HB3 LYS A 111 9.939 -4.379 -25.883 1.00 30.12 H new ATOM 0 HG2 LYS A 111 7.901 -3.319 -24.738 1.00 62.41 H new ATOM 0 HG3 LYS A 111 7.969 -2.075 -25.970 1.00 62.41 H new ATOM 0 HD2 LYS A 111 8.019 -4.948 -26.861 1.00 44.01 H new ATOM 0 HD3 LYS A 111 6.501 -4.293 -26.282 1.00 44.01 H new ATOM 0 HE2 LYS A 111 7.159 -2.271 -27.922 1.00 22.40 H new ATOM 0 HE3 LYS A 111 8.103 -3.523 -28.705 1.00 22.40 H new ATOM 0 HZ1 LYS A 111 5.894 -3.370 -29.653 1.00 63.50 H new ATOM 0 HZ2 LYS A 111 6.097 -4.877 -28.897 1.00 63.50 H new ATOM 0 HZ3 LYS A 111 5.183 -3.664 -28.139 1.00 63.50 H new ATOM 1757 N LYS A 112 9.139 -1.285 -23.286 1.00 0.12 N ATOM 1758 CA LYS A 112 8.480 -0.067 -22.829 1.00 74.31 C ATOM 1759 C LYS A 112 9.453 0.824 -22.065 1.00 13.54 C ATOM 1760 O LYS A 112 9.585 2.012 -22.360 1.00 41.21 O ATOM 1761 CB LYS A 112 7.283 -0.414 -21.940 1.00 53.45 C ATOM 1762 CG LYS A 112 5.991 -0.618 -22.713 1.00 12.34 C ATOM 1763 CD LYS A 112 5.863 -2.045 -23.219 1.00 2.32 C ATOM 1764 CE LYS A 112 4.407 -2.470 -23.326 1.00 32.14 C ATOM 1765 NZ LYS A 112 3.765 -1.945 -24.562 1.00 71.15 N ATOM 0 H LYS A 112 8.981 -2.098 -22.691 1.00 0.12 H new ATOM 0 HA LYS A 112 8.129 0.478 -23.705 1.00 74.31 H new ATOM 0 HB2 LYS A 112 7.508 -1.321 -21.379 1.00 53.45 H new ATOM 0 HB3 LYS A 112 7.139 0.384 -21.211 1.00 53.45 H new ATOM 0 HG2 LYS A 112 5.142 -0.381 -22.073 1.00 12.34 H new ATOM 0 HG3 LYS A 112 5.957 0.072 -23.556 1.00 12.34 H new ATOM 0 HD2 LYS A 112 6.341 -2.130 -24.195 1.00 2.32 H new ATOM 0 HD3 LYS A 112 6.391 -2.720 -22.546 1.00 2.32 H new ATOM 0 HE2 LYS A 112 4.345 -3.558 -23.319 1.00 32.14 H new ATOM 0 HE3 LYS A 112 3.860 -2.114 -22.453 1.00 32.14 H new ATOM 0 HZ1 LYS A 112 2.773 -2.257 -24.597 1.00 71.15 H new ATOM 0 HZ2 LYS A 112 3.801 -0.906 -24.557 1.00 71.15 H new ATOM 0 HZ3 LYS A 112 4.271 -2.305 -25.396 1.00 71.15 H new ATOM 1779 N VAL A 113 10.133 0.244 -21.081 1.00 71.22 N ATOM 1780 CA VAL A 113 11.096 0.985 -20.276 1.00 40.41 C ATOM 1781 C VAL A 113 12.263 1.474 -21.127 1.00 22.42 C ATOM 1782 O VAL A 113 12.732 2.601 -20.969 1.00 13.01 O ATOM 1783 CB VAL A 113 11.642 0.126 -19.120 1.00 74.34 C ATOM 1784 CG1 VAL A 113 10.570 -0.090 -18.063 1.00 73.31 C ATOM 1785 CG2 VAL A 113 12.160 -1.205 -19.645 1.00 41.43 C ATOM 0 H VAL A 113 10.034 -0.738 -20.822 1.00 71.22 H new ATOM 0 HA VAL A 113 10.567 1.843 -19.862 1.00 40.41 H new ATOM 0 HB VAL A 113 12.474 0.657 -18.657 1.00 74.34 H new ATOM 0 HG11 VAL A 113 10.974 -0.699 -17.254 1.00 73.31 H new ATOM 0 HG12 VAL A 113 10.250 0.874 -17.667 1.00 73.31 H new ATOM 0 HG13 VAL A 113 9.716 -0.600 -18.509 1.00 73.31 H new ATOM 0 HG21 VAL A 113 12.542 -1.800 -18.815 1.00 41.43 H new ATOM 0 HG22 VAL A 113 11.349 -1.744 -20.134 1.00 41.43 H new ATOM 0 HG23 VAL A 113 12.961 -1.026 -20.362 1.00 41.43 H new ATOM 1795 N VAL A 114 12.729 0.617 -22.030 1.00 53.04 N ATOM 1796 CA VAL A 114 13.841 0.961 -22.908 1.00 53.24 C ATOM 1797 C VAL A 114 13.483 2.135 -23.814 1.00 24.35 C ATOM 1798 O VAL A 114 14.354 2.729 -24.449 1.00 42.23 O ATOM 1799 CB VAL A 114 14.259 -0.237 -23.781 1.00 34.30 C ATOM 1800 CG1 VAL A 114 14.529 -1.459 -22.916 1.00 74.22 C ATOM 1801 CG2 VAL A 114 13.190 -0.536 -24.822 1.00 22.12 C ATOM 0 H VAL A 114 12.354 -0.321 -22.173 1.00 53.04 H new ATOM 0 HA VAL A 114 14.676 1.242 -22.266 1.00 53.24 H new ATOM 0 HB VAL A 114 15.181 0.020 -24.303 1.00 34.30 H new ATOM 0 HG11 VAL A 114 14.823 -2.296 -23.550 1.00 74.22 H new ATOM 0 HG12 VAL A 114 15.332 -1.237 -22.213 1.00 74.22 H new ATOM 0 HG13 VAL A 114 13.626 -1.721 -22.365 1.00 74.22 H new ATOM 0 HG21 VAL A 114 13.502 -1.385 -25.430 1.00 22.12 H new ATOM 0 HG22 VAL A 114 12.251 -0.773 -24.322 1.00 22.12 H new ATOM 0 HG23 VAL A 114 13.050 0.336 -25.461 1.00 22.12 H new ATOM 1811 N ASP A 115 12.197 2.464 -23.867 1.00 25.54 N ATOM 1812 CA ASP A 115 11.724 3.568 -24.693 1.00 21.10 C ATOM 1813 C ASP A 115 12.081 4.910 -24.062 1.00 40.34 C ATOM 1814 O ASP A 115 12.842 5.693 -24.631 1.00 42.13 O ATOM 1815 CB ASP A 115 10.211 3.471 -24.893 1.00 71.25 C ATOM 1816 CG ASP A 115 9.726 4.309 -26.060 1.00 45.20 C ATOM 1817 OD1 ASP A 115 10.537 5.081 -26.612 1.00 45.34 O ATOM 1818 OD2 ASP A 115 8.536 4.194 -26.420 1.00 60.21 O ATOM 0 H ASP A 115 11.464 1.982 -23.348 1.00 25.54 H new ATOM 0 HA ASP A 115 12.216 3.501 -25.663 1.00 21.10 H new ATOM 0 HB2 ASP A 115 9.935 2.429 -25.058 1.00 71.25 H new ATOM 0 HB3 ASP A 115 9.706 3.794 -23.983 1.00 71.25 H new ATOM 1823 N LYS A 116 11.525 5.171 -22.884 1.00 24.01 N ATOM 1824 CA LYS A 116 11.784 6.418 -22.175 1.00 2.34 C ATOM 1825 C LYS A 116 12.920 6.248 -21.171 1.00 65.03 C ATOM 1826 O LYS A 116 13.891 7.006 -21.182 1.00 54.53 O ATOM 1827 CB LYS A 116 10.520 6.891 -21.454 1.00 33.13 C ATOM 1828 CG LYS A 116 9.417 7.344 -22.394 1.00 52.44 C ATOM 1829 CD LYS A 116 8.509 6.191 -22.787 1.00 30.25 C ATOM 1830 CE LYS A 116 7.104 6.673 -23.114 1.00 43.44 C ATOM 1831 NZ LYS A 116 6.083 5.620 -22.861 1.00 14.35 N ATOM 0 H LYS A 116 10.892 4.535 -22.400 1.00 24.01 H new ATOM 0 HA LYS A 116 12.080 7.168 -22.908 1.00 2.34 H new ATOM 0 HB2 LYS A 116 10.144 6.081 -20.829 1.00 33.13 H new ATOM 0 HB3 LYS A 116 10.778 7.714 -20.787 1.00 33.13 H new ATOM 0 HG2 LYS A 116 8.827 8.125 -21.914 1.00 52.44 H new ATOM 0 HG3 LYS A 116 9.858 7.782 -23.289 1.00 52.44 H new ATOM 0 HD2 LYS A 116 8.928 5.675 -23.651 1.00 30.25 H new ATOM 0 HD3 LYS A 116 8.466 5.467 -21.973 1.00 30.25 H new ATOM 0 HE2 LYS A 116 6.874 7.554 -22.514 1.00 43.44 H new ATOM 0 HE3 LYS A 116 7.059 6.979 -24.159 1.00 43.44 H new ATOM 0 HZ1 LYS A 116 5.139 5.988 -23.096 1.00 14.35 H new ATOM 0 HZ2 LYS A 116 6.288 4.789 -23.452 1.00 14.35 H new ATOM 0 HZ3 LYS A 116 6.108 5.346 -21.858 1.00 14.35 H new ATOM 1845 N HIS A 117 12.795 5.247 -20.306 1.00 33.12 N ATOM 1846 CA HIS A 117 13.813 4.976 -19.297 1.00 52.00 C ATOM 1847 C HIS A 117 15.114 4.518 -19.948 1.00 63.11 C ATOM 1848 O HIS A 117 16.187 4.619 -19.354 1.00 14.14 O ATOM 1849 CB HIS A 117 13.318 3.913 -18.316 1.00 1.15 C ATOM 1850 CG HIS A 117 11.980 4.225 -17.719 1.00 61.12 C ATOM 1851 ND1 HIS A 117 11.823 4.735 -16.448 1.00 2.32 N ATOM 1852 CD2 HIS A 117 10.732 4.097 -18.228 1.00 45.33 C ATOM 1853 CE1 HIS A 117 10.537 4.907 -16.200 1.00 70.42 C ATOM 1854 NE2 HIS A 117 9.854 4.527 -17.265 1.00 15.41 N ATOM 0 H HIS A 117 11.999 4.610 -20.283 1.00 33.12 H new ATOM 0 HA HIS A 117 14.006 5.900 -18.753 1.00 52.00 H new ATOM 0 HB2 HIS A 117 13.262 2.954 -18.830 1.00 1.15 H new ATOM 0 HB3 HIS A 117 14.048 3.803 -17.514 1.00 1.15 H new ATOM 0 HD1 HIS A 117 12.582 4.947 -15.800 1.00 2.32 H new ATOM 0 HD2 HIS A 117 10.475 3.726 -19.209 1.00 45.33 H new ATOM 0 HE1 HIS A 117 10.116 5.292 -15.283 1.00 70.42 H new ATOM 1862 N GLY A 118 15.012 4.013 -21.174 1.00 33.53 N ATOM 1863 CA GLY A 118 16.188 3.546 -21.884 1.00 73.44 C ATOM 1864 C GLY A 118 16.868 2.387 -21.182 1.00 54.01 C ATOM 1865 O GLY A 118 18.064 2.159 -21.363 1.00 70.22 O ATOM 0 H GLY A 118 14.136 3.919 -21.688 1.00 33.53 H new ATOM 0 HA2 GLY A 118 15.903 3.240 -22.891 1.00 73.44 H new ATOM 0 HA3 GLY A 118 16.895 4.369 -21.989 1.00 73.44 H new ATOM 1869 N ILE A 119 16.104 1.655 -20.378 1.00 25.13 N ATOM 1870 CA ILE A 119 16.641 0.515 -19.646 1.00 22.54 C ATOM 1871 C ILE A 119 17.415 -0.418 -20.571 1.00 72.32 C ATOM 1872 O ILE A 119 17.020 -0.642 -21.715 1.00 42.42 O ATOM 1873 CB ILE A 119 15.524 -0.283 -18.948 1.00 74.43 C ATOM 1874 CG1 ILE A 119 14.907 0.542 -17.817 1.00 51.24 C ATOM 1875 CG2 ILE A 119 16.067 -1.600 -18.415 1.00 30.45 C ATOM 1876 CD1 ILE A 119 15.885 0.881 -16.714 1.00 53.01 C ATOM 0 H ILE A 119 15.112 1.831 -20.217 1.00 25.13 H new ATOM 0 HA ILE A 119 17.317 0.916 -18.890 1.00 22.54 H new ATOM 0 HB ILE A 119 14.745 -0.503 -19.678 1.00 74.43 H new ATOM 0 HG12 ILE A 119 14.504 1.466 -18.231 1.00 51.24 H new ATOM 0 HG13 ILE A 119 14.069 -0.009 -17.391 1.00 51.24 H new ATOM 0 HG21 ILE A 119 15.265 -2.152 -17.925 1.00 30.45 H new ATOM 0 HG22 ILE A 119 16.463 -2.191 -19.241 1.00 30.45 H new ATOM 0 HG23 ILE A 119 16.863 -1.402 -17.697 1.00 30.45 H new ATOM 0 HD11 ILE A 119 15.379 1.467 -15.946 1.00 53.01 H new ATOM 0 HD12 ILE A 119 16.270 -0.039 -16.274 1.00 53.01 H new ATOM 0 HD13 ILE A 119 16.712 1.460 -17.126 1.00 53.01 H new ATOM 1888 N ALA A 120 18.518 -0.962 -20.067 1.00 40.33 N ATOM 1889 CA ALA A 120 19.345 -1.874 -20.847 1.00 43.33 C ATOM 1890 C ALA A 120 18.684 -3.242 -20.975 1.00 11.21 C ATOM 1891 O ALA A 120 18.406 -3.707 -22.081 1.00 53.30 O ATOM 1892 CB ALA A 120 20.723 -2.008 -20.215 1.00 72.14 C ATOM 0 H ALA A 120 18.859 -0.787 -19.122 1.00 40.33 H new ATOM 0 HA ALA A 120 19.455 -1.458 -21.849 1.00 43.33 H new ATOM 0 HB1 ALA A 120 21.330 -2.692 -20.808 1.00 72.14 H new ATOM 0 HB2 ALA A 120 21.205 -1.031 -20.182 1.00 72.14 H new ATOM 0 HB3 ALA A 120 20.622 -2.397 -19.202 1.00 72.14 H new