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 57 GLN : amide:sc= 0.188 K(o=0.24,f=-1.6) USER MOD Set 1.2: A 116 LYS NZ :NH3+ -110:sc= 0.0533 (180deg=-0.477) USER MOD Set 2.1: A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 103 MET CE :methyl -136:sc= -0.822 (180deg=-2.69!) USER MOD Set 3.2: A 107 THR OG1 : rot 107:sc= 1.16 USER MOD Set 4.1: A 32 ASN : amide:sc= -0.977 K(o=-1,f=-0.25) USER MOD Set 4.2: A 97 ASN : amide:sc= -0.0384 K(o=-1,f=-1.9!) USER MOD Single : A 3 SER OG : rot -29:sc= 0.194 USER MOD Single : A 4 ASN : amide:sc= -0.915 K(o=-0.91,f=-0.051) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 162:sc= -0.0158 (180deg=-0.183) USER MOD Single : A 23 TYR OH : rot 180:sc= -1.33 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.073) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 38 LYS NZ :NH3+ 159:sc= -0.0242 (180deg=-0.176) USER MOD Single : A 41 LYS NZ :NH3+ -131:sc= -0.317 (180deg=-1.11) USER MOD Single : A 42 THR OG1 : rot -29:sc= 0.312 USER MOD Single : A 43 MET CE :methyl -164:sc= -2.3 (180deg=-2.91) USER MOD Single : A 44 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.24) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.0646 K(o=-0.065,f=-0.69) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot -81:sc= 1.23 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -146:sc= 0.784 (180deg=0.206) USER MOD Single : A 88 HIS : no HD1:sc= -0.151 X(o=-0.15,f=-0.005) USER MOD Single : A 95 ASN : amide:sc=-0.00341 K(o=-0.0034,f=-0.7) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 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 106 THR OG1 : rot -160:sc= -0.169 USER MOD Single : A 108 LYS NZ :NH3+ -157:sc=-0.000373 (180deg=-0.572) USER MOD Single : A 117 HIS : no HD1:sc= -0.644 K(o=-0.64,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 3.114 1.281 0.697 1.00 2.30 N ATOM 2 CA SER A 3 3.816 0.203 0.010 1.00 5.54 C ATOM 3 C SER A 3 2.842 -0.659 -0.787 1.00 1.44 C ATOM 4 O SER A 3 2.890 -1.886 -0.726 1.00 63.40 O ATOM 5 CB SER A 3 4.575 -0.663 1.018 1.00 41.42 C ATOM 6 OG SER A 3 3.732 -1.062 2.084 1.00 15.01 O ATOM 0 HA SER A 3 4.528 0.650 -0.683 1.00 5.54 H new ATOM 0 HB2 SER A 3 4.974 -1.545 0.517 1.00 41.42 H new ATOM 0 HB3 SER A 3 5.426 -0.107 1.412 1.00 41.42 H new ATOM 0 HG SER A 3 3.043 -0.380 2.229 1.00 15.01 H new ATOM 12 N ASN A 4 1.958 -0.005 -1.533 1.00 61.14 N ATOM 13 CA ASN A 4 0.971 -0.711 -2.343 1.00 0.24 C ATOM 14 C ASN A 4 1.652 -1.633 -3.350 1.00 10.24 C ATOM 15 O ASN A 4 1.070 -2.623 -3.792 1.00 4.01 O ATOM 16 CB ASN A 4 0.073 0.288 -3.075 1.00 41.31 C ATOM 17 CG ASN A 4 0.700 0.796 -4.359 1.00 71.33 C ATOM 18 OD1 ASN A 4 0.118 0.674 -5.437 1.00 62.15 O ATOM 19 ND2 ASN A 4 1.893 1.368 -4.249 1.00 41.22 N ATOM 0 H ASN A 4 1.904 1.012 -1.594 1.00 61.14 H new ATOM 0 HA ASN A 4 0.359 -1.319 -1.677 1.00 0.24 H new ATOM 0 HB2 ASN A 4 -0.882 -0.185 -3.303 1.00 41.31 H new ATOM 0 HB3 ASN A 4 -0.138 1.132 -2.418 1.00 41.31 H new ATOM 0 HD21 ASN A 4 2.364 1.728 -5.079 1.00 41.22 H new ATOM 0 HD22 ASN A 4 2.338 1.448 -3.335 1.00 41.22 H new ATOM 26 N ALA A 5 2.888 -1.300 -3.707 1.00 1.03 N ATOM 27 CA ALA A 5 3.649 -2.099 -4.659 1.00 4.11 C ATOM 28 C ALA A 5 4.641 -3.009 -3.942 1.00 61.25 C ATOM 29 O ALA A 5 5.547 -3.566 -4.562 1.00 33.04 O ATOM 30 CB ALA A 5 4.376 -1.195 -5.644 1.00 70.30 C ATOM 0 H ALA A 5 3.383 -0.482 -3.351 1.00 1.03 H new ATOM 0 HA ALA A 5 2.950 -2.729 -5.209 1.00 4.11 H new ATOM 0 HB1 ALA A 5 4.940 -1.805 -6.349 1.00 70.30 H new ATOM 0 HB2 ALA A 5 3.650 -0.590 -6.187 1.00 70.30 H new ATOM 0 HB3 ALA A 5 5.059 -0.541 -5.102 1.00 70.30 H new ATOM 36 N GLY A 6 4.464 -3.156 -2.633 1.00 10.42 N ATOM 37 CA GLY A 6 5.352 -3.999 -1.854 1.00 13.22 C ATOM 38 C GLY A 6 5.407 -5.421 -2.376 1.00 12.21 C ATOM 39 O GLY A 6 6.372 -6.143 -2.128 1.00 72.11 O ATOM 0 H GLY A 6 3.721 -2.706 -2.098 1.00 10.42 H new ATOM 0 HA2 GLY A 6 6.355 -3.572 -1.864 1.00 13.22 H new ATOM 0 HA3 GLY A 6 5.021 -4.009 -0.816 1.00 13.22 H new ATOM 43 N ALA A 7 4.368 -5.825 -3.099 1.00 53.54 N ATOM 44 CA ALA A 7 4.302 -7.169 -3.658 1.00 30.42 C ATOM 45 C ALA A 7 5.410 -7.394 -4.681 1.00 51.54 C ATOM 46 O ALA A 7 5.974 -8.484 -4.770 1.00 23.31 O ATOM 47 CB ALA A 7 2.940 -7.412 -4.290 1.00 74.32 C ATOM 0 H ALA A 7 3.560 -5.240 -3.311 1.00 53.54 H new ATOM 0 HA ALA A 7 4.445 -7.881 -2.845 1.00 30.42 H new ATOM 0 HB1 ALA A 7 2.905 -8.420 -4.703 1.00 74.32 H new ATOM 0 HB2 ALA A 7 2.163 -7.303 -3.533 1.00 74.32 H new ATOM 0 HB3 ALA A 7 2.774 -6.687 -5.087 1.00 74.32 H new ATOM 53 N ILE A 8 5.716 -6.355 -5.452 1.00 75.54 N ATOM 54 CA ILE A 8 6.756 -6.440 -6.469 1.00 64.13 C ATOM 55 C ILE A 8 8.145 -6.412 -5.839 1.00 35.22 C ATOM 56 O ILE A 8 9.057 -7.103 -6.291 1.00 33.40 O ATOM 57 CB ILE A 8 6.644 -5.290 -7.487 1.00 51.31 C ATOM 58 CG1 ILE A 8 5.235 -5.242 -8.082 1.00 11.54 C ATOM 59 CG2 ILE A 8 7.683 -5.451 -8.586 1.00 63.52 C ATOM 60 CD1 ILE A 8 4.310 -4.281 -7.367 1.00 61.21 C ATOM 0 H ILE A 8 5.258 -5.445 -5.391 1.00 75.54 H new ATOM 0 HA ILE A 8 6.613 -7.388 -6.987 1.00 64.13 H new ATOM 0 HB ILE A 8 6.833 -4.349 -6.971 1.00 51.31 H new ATOM 0 HG12 ILE A 8 5.302 -4.956 -9.132 1.00 11.54 H new ATOM 0 HG13 ILE A 8 4.802 -6.242 -8.051 1.00 11.54 H new ATOM 0 HG21 ILE A 8 7.590 -4.630 -9.297 1.00 63.52 H new ATOM 0 HG22 ILE A 8 8.681 -5.441 -8.148 1.00 63.52 H new ATOM 0 HG23 ILE A 8 7.523 -6.398 -9.102 1.00 63.52 H new ATOM 0 HD11 ILE A 8 3.329 -4.299 -7.842 1.00 61.21 H new ATOM 0 HD12 ILE A 8 4.213 -4.578 -6.323 1.00 61.21 H new ATOM 0 HD13 ILE A 8 4.721 -3.273 -7.420 1.00 61.21 H new ATOM 72 N ALA A 9 8.296 -5.610 -4.790 1.00 42.44 N ATOM 73 CA ALA A 9 9.572 -5.494 -4.095 1.00 30.52 C ATOM 74 C ALA A 9 9.851 -6.734 -3.252 1.00 3.04 C ATOM 75 O ALA A 9 11.005 -7.114 -3.050 1.00 40.15 O ATOM 76 CB ALA A 9 9.588 -4.247 -3.224 1.00 15.10 C ATOM 0 H ALA A 9 7.551 -5.031 -4.403 1.00 42.44 H new ATOM 0 HA ALA A 9 10.360 -5.410 -4.844 1.00 30.52 H new ATOM 0 HB1 ALA A 9 10.547 -4.174 -2.711 1.00 15.10 H new ATOM 0 HB2 ALA A 9 9.442 -3.365 -3.848 1.00 15.10 H new ATOM 0 HB3 ALA A 9 8.787 -4.307 -2.488 1.00 15.10 H new ATOM 82 N LYS A 10 8.788 -7.361 -2.760 1.00 2.04 N ATOM 83 CA LYS A 10 8.918 -8.559 -1.938 1.00 51.40 C ATOM 84 C LYS A 10 9.478 -9.720 -2.753 1.00 51.34 C ATOM 85 O LYS A 10 9.894 -10.737 -2.198 1.00 65.44 O ATOM 86 CB LYS A 10 7.561 -8.945 -1.346 1.00 32.12 C ATOM 87 CG LYS A 10 7.659 -9.916 -0.182 1.00 24.02 C ATOM 88 CD LYS A 10 6.449 -9.816 0.732 1.00 44.02 C ATOM 89 CE LYS A 10 6.508 -8.568 1.599 1.00 15.21 C ATOM 90 NZ LYS A 10 7.263 -8.804 2.860 1.00 1.55 N ATOM 0 H LYS A 10 7.826 -7.059 -2.916 1.00 2.04 H new ATOM 0 HA LYS A 10 9.612 -8.340 -1.127 1.00 51.40 H new ATOM 0 HB2 LYS A 10 7.049 -8.042 -1.013 1.00 32.12 H new ATOM 0 HB3 LYS A 10 6.946 -9.390 -2.128 1.00 32.12 H new ATOM 0 HG2 LYS A 10 7.745 -10.934 -0.563 1.00 24.02 H new ATOM 0 HG3 LYS A 10 8.565 -9.711 0.389 1.00 24.02 H new ATOM 0 HD2 LYS A 10 5.539 -9.801 0.132 1.00 44.02 H new ATOM 0 HD3 LYS A 10 6.398 -10.700 1.368 1.00 44.02 H new ATOM 0 HE2 LYS A 10 6.979 -7.759 1.040 1.00 15.21 H new ATOM 0 HE3 LYS A 10 5.495 -8.243 1.837 1.00 15.21 H new ATOM 0 HZ1 LYS A 10 7.280 -7.930 3.423 1.00 1.55 H new ATOM 0 HZ2 LYS A 10 6.800 -9.558 3.406 1.00 1.55 H new ATOM 0 HZ3 LYS A 10 8.237 -9.089 2.633 1.00 1.55 H new ATOM 104 N LEU A 11 9.486 -9.561 -4.072 1.00 44.42 N ATOM 105 CA LEU A 11 9.997 -10.596 -4.964 1.00 42.44 C ATOM 106 C LEU A 11 11.522 -10.588 -4.990 1.00 23.51 C ATOM 107 O LEU A 11 12.152 -11.596 -5.313 1.00 21.24 O ATOM 108 CB LEU A 11 9.451 -10.392 -6.379 1.00 22.32 C ATOM 109 CG LEU A 11 7.982 -9.982 -6.478 1.00 75.14 C ATOM 110 CD1 LEU A 11 7.571 -9.816 -7.933 1.00 42.33 C ATOM 111 CD2 LEU A 11 7.094 -11.006 -5.786 1.00 10.12 C ATOM 0 H LEU A 11 9.145 -8.726 -4.547 1.00 44.42 H new ATOM 0 HA LEU A 11 9.663 -11.563 -4.588 1.00 42.44 H new ATOM 0 HB2 LEU A 11 10.054 -9.631 -6.873 1.00 22.32 H new ATOM 0 HB3 LEU A 11 9.587 -11.319 -6.937 1.00 22.32 H new ATOM 0 HG LEU A 11 7.858 -9.023 -5.974 1.00 75.14 H new ATOM 0 HD11 LEU A 11 6.522 -9.524 -7.984 1.00 42.33 H new ATOM 0 HD12 LEU A 11 8.185 -9.045 -8.399 1.00 42.33 H new ATOM 0 HD13 LEU A 11 7.711 -10.760 -8.461 1.00 42.33 H new ATOM 0 HD21 LEU A 11 6.052 -10.697 -5.867 1.00 10.12 H new ATOM 0 HD22 LEU A 11 7.222 -11.979 -6.261 1.00 10.12 H new ATOM 0 HD23 LEU A 11 7.371 -11.076 -4.734 1.00 10.12 H new ATOM 123 N ILE A 12 12.109 -9.447 -4.646 1.00 22.22 N ATOM 124 CA ILE A 12 13.560 -9.311 -4.626 1.00 43.40 C ATOM 125 C ILE A 12 14.200 -10.372 -3.738 1.00 64.42 C ATOM 126 O ILE A 12 15.035 -11.163 -4.177 1.00 65.34 O ATOM 127 CB ILE A 12 13.988 -7.917 -4.130 1.00 11.32 C ATOM 128 CG1 ILE A 12 14.084 -6.941 -5.304 1.00 53.41 C ATOM 129 CG2 ILE A 12 15.317 -8.001 -3.394 1.00 71.13 C ATOM 130 CD1 ILE A 12 12.836 -6.899 -6.158 1.00 41.44 C ATOM 0 H ILE A 12 11.602 -8.604 -4.377 1.00 22.22 H new ATOM 0 HA ILE A 12 13.903 -9.444 -5.652 1.00 43.40 H new ATOM 0 HB ILE A 12 13.233 -7.548 -3.436 1.00 11.32 H new ATOM 0 HG12 ILE A 12 14.285 -5.941 -4.919 1.00 53.41 H new ATOM 0 HG13 ILE A 12 14.933 -7.219 -5.929 1.00 53.41 H new ATOM 0 HG21 ILE A 12 15.606 -7.008 -3.050 1.00 71.13 H new ATOM 0 HG22 ILE A 12 15.217 -8.667 -2.537 1.00 71.13 H new ATOM 0 HG23 ILE A 12 16.082 -8.388 -4.067 1.00 71.13 H new ATOM 0 HD11 ILE A 12 12.975 -6.186 -6.971 1.00 41.44 H new ATOM 0 HD12 ILE A 12 12.645 -7.889 -6.572 1.00 41.44 H new ATOM 0 HD13 ILE A 12 11.987 -6.591 -5.547 1.00 41.44 H new ATOM 142 N PRO A 13 13.800 -10.394 -2.458 1.00 53.53 N ATOM 143 CA PRO A 13 14.320 -11.355 -1.482 1.00 34.22 C ATOM 144 C PRO A 13 13.842 -12.777 -1.757 1.00 53.22 C ATOM 145 O PRO A 13 14.380 -13.741 -1.212 1.00 12.41 O ATOM 146 CB PRO A 13 13.756 -10.850 -0.151 1.00 51.25 C ATOM 147 CG PRO A 13 12.526 -10.096 -0.523 1.00 41.32 C ATOM 148 CD PRO A 13 12.808 -9.480 -1.866 1.00 73.51 C ATOM 0 HA PRO A 13 15.408 -11.411 -1.506 1.00 34.22 H new ATOM 0 HB2 PRO A 13 13.526 -11.677 0.521 1.00 51.25 H new ATOM 0 HB3 PRO A 13 14.472 -10.210 0.365 1.00 51.25 H new ATOM 0 HG2 PRO A 13 11.662 -10.759 -0.571 1.00 41.32 H new ATOM 0 HG3 PRO A 13 12.299 -9.330 0.218 1.00 41.32 H new ATOM 0 HD2 PRO A 13 11.907 -9.415 -2.476 1.00 73.51 H new ATOM 0 HD3 PRO A 13 13.201 -8.468 -1.770 1.00 73.51 H new ATOM 156 N LYS A 14 12.828 -12.901 -2.607 1.00 71.01 N ATOM 157 CA LYS A 14 12.278 -14.205 -2.957 1.00 73.11 C ATOM 158 C LYS A 14 13.235 -14.975 -3.861 1.00 4.01 C ATOM 159 O LYS A 14 13.505 -16.155 -3.634 1.00 65.23 O ATOM 160 CB LYS A 14 10.924 -14.041 -3.653 1.00 5.44 C ATOM 161 CG LYS A 14 9.737 -14.220 -2.723 1.00 31.51 C ATOM 162 CD LYS A 14 8.431 -14.306 -3.496 1.00 5.41 C ATOM 163 CE LYS A 14 8.071 -15.746 -3.824 1.00 63.45 C ATOM 164 NZ LYS A 14 7.644 -16.501 -2.614 1.00 30.20 N ATOM 0 H LYS A 14 12.370 -12.114 -3.066 1.00 71.01 H new ATOM 0 HA LYS A 14 12.141 -14.772 -2.036 1.00 73.11 H new ATOM 0 HB2 LYS A 14 10.875 -13.050 -4.105 1.00 5.44 H new ATOM 0 HB3 LYS A 14 10.852 -14.765 -4.464 1.00 5.44 H new ATOM 0 HG2 LYS A 14 9.871 -15.125 -2.131 1.00 31.51 H new ATOM 0 HG3 LYS A 14 9.693 -13.385 -2.023 1.00 31.51 H new ATOM 0 HD2 LYS A 14 7.630 -13.854 -2.911 1.00 5.41 H new ATOM 0 HD3 LYS A 14 8.515 -13.732 -4.419 1.00 5.41 H new ATOM 0 HE2 LYS A 14 7.270 -15.761 -4.563 1.00 63.45 H new ATOM 0 HE3 LYS A 14 8.930 -16.241 -4.276 1.00 63.45 H new ATOM 0 HZ1 LYS A 14 7.127 -17.356 -2.903 1.00 30.20 H new ATOM 0 HZ2 LYS A 14 8.482 -16.773 -2.061 1.00 30.20 H new ATOM 0 HZ3 LYS A 14 7.025 -15.902 -2.032 1.00 30.20 H new ATOM 178 N LEU A 15 13.747 -14.300 -4.884 1.00 60.13 N ATOM 179 CA LEU A 15 14.677 -14.921 -5.822 1.00 13.52 C ATOM 180 C LEU A 15 16.087 -14.963 -5.242 1.00 70.33 C ATOM 181 O LEU A 15 16.887 -15.829 -5.593 1.00 63.32 O ATOM 182 CB LEU A 15 14.681 -14.157 -7.147 1.00 74.03 C ATOM 183 CG LEU A 15 13.478 -14.393 -8.061 1.00 72.15 C ATOM 184 CD1 LEU A 15 13.159 -13.138 -8.859 1.00 64.35 C ATOM 185 CD2 LEU A 15 13.738 -15.568 -8.993 1.00 3.01 C ATOM 0 H LEU A 15 13.534 -13.323 -5.086 1.00 60.13 H new ATOM 0 HA LEU A 15 14.346 -15.944 -6.001 1.00 13.52 H new ATOM 0 HB2 LEU A 15 14.742 -13.091 -6.929 1.00 74.03 H new ATOM 0 HB3 LEU A 15 15.585 -14.423 -7.694 1.00 74.03 H new ATOM 0 HG LEU A 15 12.615 -14.632 -7.439 1.00 72.15 H new ATOM 0 HD11 LEU A 15 12.300 -13.325 -9.504 1.00 64.35 H new ATOM 0 HD12 LEU A 15 12.928 -12.321 -8.175 1.00 64.35 H new ATOM 0 HD13 LEU A 15 14.020 -12.867 -9.471 1.00 64.35 H new ATOM 0 HD21 LEU A 15 12.871 -15.721 -9.636 1.00 3.01 H new ATOM 0 HD22 LEU A 15 14.613 -15.358 -9.608 1.00 3.01 H new ATOM 0 HD23 LEU A 15 13.916 -16.467 -8.404 1.00 3.01 H new ATOM 197 N GLY A 16 16.384 -14.023 -4.351 1.00 11.43 N ATOM 198 CA GLY A 16 17.697 -13.972 -3.735 1.00 61.10 C ATOM 199 C GLY A 16 18.106 -15.301 -3.132 1.00 22.21 C ATOM 200 O GLY A 16 19.284 -15.657 -3.141 1.00 71.53 O ATOM 0 H GLY A 16 15.739 -13.295 -4.044 1.00 11.43 H new ATOM 0 HA2 GLY A 16 18.433 -13.673 -4.481 1.00 61.10 H new ATOM 0 HA3 GLY A 16 17.701 -13.207 -2.958 1.00 61.10 H new ATOM 204 N GLU A 17 17.131 -16.035 -2.605 1.00 22.34 N ATOM 205 CA GLU A 17 17.398 -17.331 -1.992 1.00 72.51 C ATOM 206 C GLU A 17 18.107 -18.261 -2.972 1.00 45.15 C ATOM 207 O GLU A 17 18.924 -19.094 -2.576 1.00 53.10 O ATOM 208 CB GLU A 17 16.093 -17.974 -1.517 1.00 11.11 C ATOM 209 CG GLU A 17 16.244 -18.788 -0.243 1.00 31.01 C ATOM 210 CD GLU A 17 16.601 -17.933 0.957 1.00 2.32 C ATOM 211 OE1 GLU A 17 15.743 -17.139 1.395 1.00 14.45 O ATOM 212 OE2 GLU A 17 17.738 -18.057 1.458 1.00 43.14 O ATOM 0 H GLU A 17 16.150 -15.755 -2.590 1.00 22.34 H new ATOM 0 HA GLU A 17 18.050 -17.170 -1.133 1.00 72.51 H new ATOM 0 HB2 GLU A 17 15.351 -17.192 -1.353 1.00 11.11 H new ATOM 0 HB3 GLU A 17 15.707 -18.619 -2.307 1.00 11.11 H new ATOM 0 HG2 GLU A 17 15.313 -19.318 -0.043 1.00 31.01 H new ATOM 0 HG3 GLU A 17 17.016 -19.544 -0.389 1.00 31.01 H new ATOM 219 N LEU A 18 17.790 -18.113 -4.254 1.00 4.21 N ATOM 220 CA LEU A 18 18.397 -18.939 -5.293 1.00 15.45 C ATOM 221 C LEU A 18 19.689 -18.310 -5.802 1.00 65.24 C ATOM 222 O LEU A 18 20.458 -18.945 -6.526 1.00 21.54 O ATOM 223 CB LEU A 18 17.419 -19.133 -6.453 1.00 35.14 C ATOM 224 CG LEU A 18 16.478 -20.334 -6.344 1.00 2.04 C ATOM 225 CD1 LEU A 18 17.273 -21.627 -6.247 1.00 32.12 C ATOM 226 CD2 LEU A 18 15.556 -20.182 -5.143 1.00 54.30 C ATOM 0 H LEU A 18 17.116 -17.429 -4.599 1.00 4.21 H new ATOM 0 HA LEU A 18 18.634 -19.910 -4.859 1.00 15.45 H new ATOM 0 HB2 LEU A 18 16.815 -18.231 -6.547 1.00 35.14 H new ATOM 0 HB3 LEU A 18 17.994 -19.229 -7.374 1.00 35.14 H new ATOM 0 HG LEU A 18 15.865 -20.374 -7.245 1.00 2.04 H new ATOM 0 HD11 LEU A 18 16.587 -22.471 -6.170 1.00 32.12 H new ATOM 0 HD12 LEU A 18 17.891 -21.742 -7.137 1.00 32.12 H new ATOM 0 HD13 LEU A 18 17.911 -21.596 -5.364 1.00 32.12 H new ATOM 0 HD21 LEU A 18 14.894 -21.045 -5.081 1.00 54.30 H new ATOM 0 HD22 LEU A 18 16.152 -20.116 -4.233 1.00 54.30 H new ATOM 0 HD23 LEU A 18 14.961 -19.275 -5.254 1.00 54.30 H new ATOM 238 N LEU A 19 19.925 -17.060 -5.420 1.00 34.15 N ATOM 239 CA LEU A 19 21.126 -16.346 -5.836 1.00 4.41 C ATOM 240 C LEU A 19 22.205 -16.421 -4.760 1.00 11.11 C ATOM 241 O LEU A 19 23.370 -16.114 -5.011 1.00 42.35 O ATOM 242 CB LEU A 19 20.795 -14.884 -6.140 1.00 53.32 C ATOM 243 CG LEU A 19 20.622 -14.528 -7.617 1.00 42.03 C ATOM 244 CD1 LEU A 19 21.961 -14.572 -8.337 1.00 3.42 C ATOM 245 CD2 LEU A 19 19.628 -15.470 -8.280 1.00 54.10 C ATOM 0 H LEU A 19 19.300 -16.520 -4.822 1.00 34.15 H new ATOM 0 HA LEU A 19 21.506 -16.822 -6.740 1.00 4.41 H new ATOM 0 HB2 LEU A 19 19.876 -14.623 -5.614 1.00 53.32 H new ATOM 0 HB3 LEU A 19 21.587 -14.260 -5.727 1.00 53.32 H new ATOM 0 HG LEU A 19 20.230 -13.513 -7.682 1.00 42.03 H new ATOM 0 HD11 LEU A 19 21.818 -14.316 -9.387 1.00 3.42 H new ATOM 0 HD12 LEU A 19 22.644 -13.857 -7.879 1.00 3.42 H new ATOM 0 HD13 LEU A 19 22.382 -15.575 -8.262 1.00 3.42 H new ATOM 0 HD21 LEU A 19 19.518 -15.202 -9.331 1.00 54.10 H new ATOM 0 HD22 LEU A 19 19.991 -16.495 -8.204 1.00 54.10 H new ATOM 0 HD23 LEU A 19 18.662 -15.389 -7.781 1.00 54.10 H new ATOM 257 N VAL A 20 21.809 -16.834 -3.560 1.00 51.11 N ATOM 258 CA VAL A 20 22.742 -16.953 -2.446 1.00 70.22 C ATOM 259 C VAL A 20 23.550 -18.243 -2.542 1.00 13.34 C ATOM 260 O VAL A 20 24.637 -18.350 -1.975 1.00 74.14 O ATOM 261 CB VAL A 20 22.008 -16.919 -1.093 1.00 34.33 C ATOM 262 CG1 VAL A 20 21.191 -15.643 -0.960 1.00 4.34 C ATOM 263 CG2 VAL A 20 21.122 -18.147 -0.937 1.00 3.54 C ATOM 0 H VAL A 20 20.848 -17.092 -3.335 1.00 51.11 H new ATOM 0 HA VAL A 20 23.417 -16.099 -2.506 1.00 70.22 H new ATOM 0 HB VAL A 20 22.751 -16.931 -0.296 1.00 34.33 H new ATOM 0 HG11 VAL A 20 20.680 -15.637 0.003 1.00 4.34 H new ATOM 0 HG12 VAL A 20 21.852 -14.779 -1.025 1.00 4.34 H new ATOM 0 HG13 VAL A 20 20.455 -15.597 -1.762 1.00 4.34 H new ATOM 0 HG21 VAL A 20 20.611 -18.107 0.025 1.00 3.54 H new ATOM 0 HG22 VAL A 20 20.385 -18.168 -1.739 1.00 3.54 H new ATOM 0 HG23 VAL A 20 21.735 -19.047 -0.984 1.00 3.54 H new ATOM 273 N GLY A 21 23.010 -19.221 -3.263 1.00 42.42 N ATOM 274 CA GLY A 21 23.694 -20.491 -3.420 1.00 45.33 C ATOM 275 C GLY A 21 23.022 -21.611 -2.652 1.00 12.33 C ATOM 276 O GLY A 21 23.644 -22.631 -2.359 1.00 32.21 O ATOM 0 H GLY A 21 22.111 -19.156 -3.741 1.00 42.42 H new ATOM 0 HA2 GLY A 21 23.731 -20.752 -4.478 1.00 45.33 H new ATOM 0 HA3 GLY A 21 24.725 -20.389 -3.080 1.00 45.33 H new ATOM 280 N GLU A 22 21.748 -21.419 -2.323 1.00 70.11 N ATOM 281 CA GLU A 22 20.992 -22.421 -1.581 1.00 61.43 C ATOM 282 C GLU A 22 20.079 -23.213 -2.513 1.00 33.35 C ATOM 283 O GLU A 22 18.870 -22.983 -2.558 1.00 41.21 O ATOM 284 CB GLU A 22 20.163 -21.756 -0.481 1.00 2.23 C ATOM 285 CG GLU A 22 20.942 -21.505 0.800 1.00 55.31 C ATOM 286 CD GLU A 22 20.978 -22.719 1.708 1.00 43.32 C ATOM 287 OE1 GLU A 22 19.896 -23.181 2.126 1.00 42.50 O ATOM 288 OE2 GLU A 22 22.090 -23.207 2.000 1.00 42.23 O ATOM 0 H GLU A 22 21.219 -20.580 -2.558 1.00 70.11 H new ATOM 0 HA GLU A 22 21.702 -23.110 -1.124 1.00 61.43 H new ATOM 0 HB2 GLU A 22 19.776 -20.807 -0.853 1.00 2.23 H new ATOM 0 HB3 GLU A 22 19.302 -22.385 -0.256 1.00 2.23 H new ATOM 0 HG2 GLU A 22 21.962 -21.213 0.549 1.00 55.31 H new ATOM 0 HG3 GLU A 22 20.493 -20.668 1.336 1.00 55.31 H new ATOM 295 N TYR A 23 20.665 -24.147 -3.254 1.00 3.44 N ATOM 296 CA TYR A 23 19.906 -24.971 -4.186 1.00 61.12 C ATOM 297 C TYR A 23 20.762 -26.114 -4.724 1.00 35.22 C ATOM 298 O TYR A 23 21.990 -26.071 -4.658 1.00 42.31 O ATOM 299 CB TYR A 23 19.386 -24.120 -5.346 1.00 1.54 C ATOM 300 CG TYR A 23 20.470 -23.350 -6.066 1.00 24.22 C ATOM 301 CD1 TYR A 23 20.934 -22.137 -5.571 1.00 73.15 C ATOM 302 CD2 TYR A 23 21.031 -23.836 -7.241 1.00 12.32 C ATOM 303 CE1 TYR A 23 21.924 -21.430 -6.226 1.00 72.23 C ATOM 304 CE2 TYR A 23 22.022 -23.136 -7.901 1.00 61.44 C ATOM 305 CZ TYR A 23 22.465 -21.934 -7.391 1.00 21.25 C ATOM 306 OH TYR A 23 23.451 -21.234 -8.046 1.00 45.05 O ATOM 0 H TYR A 23 21.664 -24.352 -3.227 1.00 3.44 H new ATOM 0 HA TYR A 23 19.059 -25.397 -3.648 1.00 61.12 H new ATOM 0 HB2 TYR A 23 18.876 -24.767 -6.060 1.00 1.54 H new ATOM 0 HB3 TYR A 23 18.644 -23.417 -4.966 1.00 1.54 H new ATOM 0 HD1 TYR A 23 20.514 -21.740 -4.659 1.00 73.15 H new ATOM 0 HD2 TYR A 23 20.686 -24.777 -7.645 1.00 12.32 H new ATOM 0 HE1 TYR A 23 22.272 -20.488 -5.828 1.00 72.23 H new ATOM 0 HE2 TYR A 23 22.448 -23.528 -8.813 1.00 61.44 H new ATOM 0 HH TYR A 23 23.724 -21.727 -8.848 1.00 45.05 H new ATOM 316 N LYS A 24 20.102 -27.137 -5.257 1.00 25.41 N ATOM 317 CA LYS A 24 20.800 -28.293 -5.809 1.00 35.13 C ATOM 318 C LYS A 24 20.715 -28.304 -7.332 1.00 13.53 C ATOM 319 O LYS A 24 20.227 -29.264 -7.930 1.00 3.41 O ATOM 320 CB LYS A 24 20.209 -29.588 -5.246 1.00 13.45 C ATOM 321 CG LYS A 24 20.764 -29.968 -3.884 1.00 65.01 C ATOM 322 CD LYS A 24 21.954 -30.906 -4.009 1.00 55.33 C ATOM 323 CE LYS A 24 22.909 -30.754 -2.836 1.00 2.31 C ATOM 324 NZ LYS A 24 24.229 -31.386 -3.110 1.00 43.12 N ATOM 0 H LYS A 24 19.085 -27.189 -5.318 1.00 25.41 H new ATOM 0 HA LYS A 24 21.849 -28.224 -5.521 1.00 35.13 H new ATOM 0 HB2 LYS A 24 19.127 -29.481 -5.171 1.00 13.45 H new ATOM 0 HB3 LYS A 24 20.401 -30.400 -5.947 1.00 13.45 H new ATOM 0 HG2 LYS A 24 21.064 -29.067 -3.348 1.00 65.01 H new ATOM 0 HG3 LYS A 24 19.983 -30.446 -3.292 1.00 65.01 H new ATOM 0 HD2 LYS A 24 21.602 -31.936 -4.062 1.00 55.33 H new ATOM 0 HD3 LYS A 24 22.484 -30.702 -4.940 1.00 55.33 H new ATOM 0 HE2 LYS A 24 23.051 -29.695 -2.618 1.00 2.31 H new ATOM 0 HE3 LYS A 24 22.468 -31.205 -1.947 1.00 2.31 H new ATOM 0 HZ1 LYS A 24 24.852 -31.261 -2.286 1.00 43.12 H new ATOM 0 HZ2 LYS A 24 24.097 -32.401 -3.293 1.00 43.12 H new ATOM 0 HZ3 LYS A 24 24.662 -30.938 -3.943 1.00 43.12 H new ATOM 338 N LEU A 25 21.193 -27.231 -7.954 1.00 31.55 N ATOM 339 CA LEU A 25 21.173 -27.118 -9.408 1.00 14.12 C ATOM 340 C LEU A 25 22.550 -26.743 -9.944 1.00 4.30 C ATOM 341 O LEU A 25 23.468 -26.450 -9.177 1.00 1.32 O ATOM 342 CB LEU A 25 20.142 -26.075 -9.843 1.00 52.12 C ATOM 343 CG LEU A 25 18.778 -26.151 -9.155 1.00 44.32 C ATOM 344 CD1 LEU A 25 18.024 -24.841 -9.320 1.00 53.31 C ATOM 345 CD2 LEU A 25 17.965 -27.311 -9.710 1.00 53.31 C ATOM 0 H LEU A 25 21.599 -26.428 -7.474 1.00 31.55 H new ATOM 0 HA LEU A 25 20.896 -28.088 -9.820 1.00 14.12 H new ATOM 0 HB2 LEU A 25 20.561 -25.084 -9.667 1.00 52.12 H new ATOM 0 HB3 LEU A 25 19.990 -26.170 -10.918 1.00 52.12 H new ATOM 0 HG LEU A 25 18.938 -26.323 -8.091 1.00 44.32 H new ATOM 0 HD11 LEU A 25 17.056 -24.913 -8.824 1.00 53.31 H new ATOM 0 HD12 LEU A 25 18.600 -24.031 -8.874 1.00 53.31 H new ATOM 0 HD13 LEU A 25 17.874 -24.638 -10.380 1.00 53.31 H new ATOM 0 HD21 LEU A 25 16.998 -27.350 -9.209 1.00 53.31 H new ATOM 0 HD22 LEU A 25 17.814 -27.170 -10.780 1.00 53.31 H new ATOM 0 HD23 LEU A 25 18.500 -28.245 -9.539 1.00 53.31 H new ATOM 357 N HIS A 26 22.688 -26.752 -11.266 1.00 52.41 N ATOM 358 CA HIS A 26 23.953 -26.409 -11.905 1.00 63.35 C ATOM 359 C HIS A 26 24.136 -24.896 -11.974 1.00 35.00 C ATOM 360 O HIS A 26 23.242 -24.135 -11.602 1.00 41.23 O ATOM 361 CB HIS A 26 24.016 -27.006 -13.312 1.00 24.44 C ATOM 362 CG HIS A 26 25.394 -27.427 -13.722 1.00 71.52 C ATOM 363 ND1 HIS A 26 26.022 -28.545 -13.215 1.00 33.51 N ATOM 364 CD2 HIS A 26 26.264 -26.874 -14.599 1.00 24.14 C ATOM 365 CE1 HIS A 26 27.219 -28.661 -13.760 1.00 44.42 C ATOM 366 NE2 HIS A 26 27.391 -27.659 -14.604 1.00 22.01 N ATOM 0 H HIS A 26 21.939 -26.993 -11.915 1.00 52.41 H new ATOM 0 HA HIS A 26 24.760 -26.827 -11.303 1.00 63.35 H new ATOM 0 HB2 HIS A 26 23.351 -27.868 -13.362 1.00 24.44 H new ATOM 0 HB3 HIS A 26 23.641 -26.273 -14.026 1.00 24.44 H new ATOM 0 HD2 HIS A 26 26.102 -25.982 -15.186 1.00 24.14 H new ATOM 0 HE1 HIS A 26 27.935 -29.442 -13.551 1.00 44.42 H new ATOM 0 HE2 HIS A 26 28.225 -27.495 -15.168 1.00 22.01 H new ATOM 374 N LYS A 27 25.299 -24.466 -12.451 1.00 32.12 N ATOM 375 CA LYS A 27 25.599 -23.044 -12.569 1.00 23.20 C ATOM 376 C LYS A 27 24.781 -22.406 -13.687 1.00 31.11 C ATOM 377 O LYS A 27 24.557 -21.197 -13.692 1.00 55.44 O ATOM 378 CB LYS A 27 27.092 -22.838 -12.834 1.00 4.31 C ATOM 379 CG LYS A 27 27.949 -22.922 -11.583 1.00 4.23 C ATOM 380 CD LYS A 27 27.997 -24.338 -11.033 1.00 53.33 C ATOM 381 CE LYS A 27 29.229 -24.559 -10.169 1.00 74.30 C ATOM 382 NZ LYS A 27 28.982 -25.566 -9.099 1.00 50.35 N ATOM 0 H LYS A 27 26.050 -25.082 -12.762 1.00 32.12 H new ATOM 0 HA LYS A 27 25.333 -22.563 -11.628 1.00 23.20 H new ATOM 0 HB2 LYS A 27 27.432 -23.588 -13.548 1.00 4.31 H new ATOM 0 HB3 LYS A 27 27.239 -21.864 -13.300 1.00 4.31 H new ATOM 0 HG2 LYS A 27 28.960 -22.585 -11.810 1.00 4.23 H new ATOM 0 HG3 LYS A 27 27.552 -22.249 -10.823 1.00 4.23 H new ATOM 0 HD2 LYS A 27 27.100 -24.532 -10.445 1.00 53.33 H new ATOM 0 HD3 LYS A 27 27.998 -25.050 -11.858 1.00 53.33 H new ATOM 0 HE2 LYS A 27 30.057 -24.890 -10.795 1.00 74.30 H new ATOM 0 HE3 LYS A 27 29.530 -23.614 -9.716 1.00 74.30 H new ATOM 0 HZ1 LYS A 27 29.845 -25.689 -8.532 1.00 50.35 H new ATOM 0 HZ2 LYS A 27 28.208 -25.238 -8.486 1.00 50.35 H new ATOM 0 HZ3 LYS A 27 28.720 -26.475 -9.531 1.00 50.35 H new ATOM 396 N GLY A 28 24.336 -23.229 -14.632 1.00 50.42 N ATOM 397 CA GLY A 28 23.546 -22.726 -15.741 1.00 61.11 C ATOM 398 C GLY A 28 22.099 -22.485 -15.360 1.00 71.50 C ATOM 399 O GLY A 28 21.408 -21.685 -15.990 1.00 40.14 O ATOM 0 H GLY A 28 24.508 -24.234 -14.649 1.00 50.42 H new ATOM 0 HA2 GLY A 28 23.983 -21.795 -16.102 1.00 61.11 H new ATOM 0 HA3 GLY A 28 23.588 -23.438 -16.565 1.00 61.11 H new ATOM 403 N VAL A 29 21.637 -23.181 -14.326 1.00 22.51 N ATOM 404 CA VAL A 29 20.262 -23.040 -13.862 1.00 23.22 C ATOM 405 C VAL A 29 20.057 -21.708 -13.149 1.00 71.05 C ATOM 406 O VAL A 29 19.095 -20.989 -13.419 1.00 13.30 O ATOM 407 CB VAL A 29 19.871 -24.185 -12.909 1.00 21.22 C ATOM 408 CG1 VAL A 29 18.426 -24.036 -12.459 1.00 54.33 C ATOM 409 CG2 VAL A 29 20.094 -25.534 -13.577 1.00 54.50 C ATOM 0 H VAL A 29 22.195 -23.848 -13.794 1.00 22.51 H new ATOM 0 HA VAL A 29 19.624 -23.079 -14.745 1.00 23.22 H new ATOM 0 HB VAL A 29 20.508 -24.133 -12.026 1.00 21.22 H new ATOM 0 HG11 VAL A 29 18.168 -24.854 -11.786 1.00 54.33 H new ATOM 0 HG12 VAL A 29 18.303 -23.086 -11.939 1.00 54.33 H new ATOM 0 HG13 VAL A 29 17.770 -24.061 -13.329 1.00 54.33 H new ATOM 0 HG21 VAL A 29 19.813 -26.331 -12.889 1.00 54.50 H new ATOM 0 HG22 VAL A 29 19.484 -25.599 -14.478 1.00 54.50 H new ATOM 0 HG23 VAL A 29 21.146 -25.639 -13.843 1.00 54.50 H new ATOM 419 N LYS A 30 20.968 -21.384 -12.238 1.00 61.13 N ATOM 420 CA LYS A 30 20.890 -20.137 -11.487 1.00 34.13 C ATOM 421 C LYS A 30 20.813 -18.939 -12.427 1.00 54.24 C ATOM 422 O LYS A 30 20.242 -17.903 -12.085 1.00 4.23 O ATOM 423 CB LYS A 30 22.102 -19.997 -10.563 1.00 71.03 C ATOM 424 CG LYS A 30 23.431 -20.015 -11.298 1.00 23.11 C ATOM 425 CD LYS A 30 24.556 -19.477 -10.429 1.00 72.30 C ATOM 426 CE LYS A 30 24.856 -18.020 -10.745 1.00 11.03 C ATOM 427 NZ LYS A 30 26.062 -17.533 -10.021 1.00 4.44 N ATOM 0 H LYS A 30 21.770 -21.969 -12.002 1.00 61.13 H new ATOM 0 HA LYS A 30 19.982 -20.162 -10.884 1.00 34.13 H new ATOM 0 HB2 LYS A 30 22.017 -19.065 -10.005 1.00 71.03 H new ATOM 0 HB3 LYS A 30 22.088 -20.807 -9.834 1.00 71.03 H new ATOM 0 HG2 LYS A 30 23.664 -21.034 -11.606 1.00 23.11 H new ATOM 0 HG3 LYS A 30 23.354 -19.417 -12.206 1.00 23.11 H new ATOM 0 HD2 LYS A 30 24.284 -19.574 -9.378 1.00 72.30 H new ATOM 0 HD3 LYS A 30 25.454 -20.076 -10.582 1.00 72.30 H new ATOM 0 HE2 LYS A 30 25.005 -17.904 -11.819 1.00 11.03 H new ATOM 0 HE3 LYS A 30 23.997 -17.405 -10.475 1.00 11.03 H new ATOM 0 HZ1 LYS A 30 26.233 -16.536 -10.263 1.00 4.44 H new ATOM 0 HZ2 LYS A 30 25.910 -17.619 -8.996 1.00 4.44 H new ATOM 0 HZ3 LYS A 30 26.887 -18.103 -10.298 1.00 4.44 H new ATOM 441 N LYS A 31 21.389 -19.087 -13.615 1.00 73.15 N ATOM 442 CA LYS A 31 21.383 -18.019 -14.608 1.00 4.34 C ATOM 443 C LYS A 31 19.960 -17.555 -14.901 1.00 31.44 C ATOM 444 O LYS A 31 19.736 -16.402 -15.266 1.00 74.42 O ATOM 445 CB LYS A 31 22.053 -18.491 -15.900 1.00 23.42 C ATOM 446 CG LYS A 31 23.437 -19.081 -15.687 1.00 41.52 C ATOM 447 CD LYS A 31 24.221 -19.145 -16.987 1.00 64.00 C ATOM 448 CE LYS A 31 23.539 -20.045 -18.006 1.00 13.31 C ATOM 449 NZ LYS A 31 22.967 -19.266 -19.139 1.00 44.51 N ATOM 0 H LYS A 31 21.867 -19.937 -13.914 1.00 73.15 H new ATOM 0 HA LYS A 31 21.944 -17.177 -14.202 1.00 4.34 H new ATOM 0 HB2 LYS A 31 21.418 -19.238 -16.377 1.00 23.42 H new ATOM 0 HB3 LYS A 31 22.128 -17.650 -16.589 1.00 23.42 H new ATOM 0 HG2 LYS A 31 23.983 -18.478 -14.961 1.00 41.52 H new ATOM 0 HG3 LYS A 31 23.346 -20.082 -15.266 1.00 41.52 H new ATOM 0 HD2 LYS A 31 24.326 -18.141 -17.399 1.00 64.00 H new ATOM 0 HD3 LYS A 31 25.227 -19.515 -16.789 1.00 64.00 H new ATOM 0 HE2 LYS A 31 24.258 -20.769 -18.389 1.00 13.31 H new ATOM 0 HE3 LYS A 31 22.746 -20.611 -17.517 1.00 13.31 H new ATOM 0 HZ1 LYS A 31 22.511 -19.915 -19.812 1.00 44.51 H new ATOM 0 HZ2 LYS A 31 22.263 -18.592 -18.776 1.00 44.51 H new ATOM 0 HZ3 LYS A 31 23.727 -18.746 -19.621 1.00 44.51 H new ATOM 463 N ASN A 32 19.002 -18.462 -14.736 1.00 52.31 N ATOM 464 CA ASN A 32 17.600 -18.145 -14.982 1.00 54.23 C ATOM 465 C ASN A 32 17.021 -17.313 -13.841 1.00 64.33 C ATOM 466 O ASN A 32 16.157 -16.463 -14.056 1.00 5.51 O ATOM 467 CB ASN A 32 16.787 -19.430 -15.154 1.00 64.02 C ATOM 468 CG ASN A 32 15.302 -19.160 -15.299 1.00 61.23 C ATOM 469 OD1 ASN A 32 14.476 -19.815 -14.664 1.00 30.14 O ATOM 470 ND2 ASN A 32 14.956 -18.192 -16.139 1.00 42.35 N ATOM 0 H ASN A 32 19.171 -19.421 -14.433 1.00 52.31 H new ATOM 0 HA ASN A 32 17.542 -17.560 -15.900 1.00 54.23 H new ATOM 0 HB2 ASN A 32 17.143 -19.967 -16.033 1.00 64.02 H new ATOM 0 HB3 ASN A 32 16.953 -20.080 -14.295 1.00 64.02 H new ATOM 0 HD21 ASN A 32 13.971 -17.966 -16.279 1.00 42.35 H new ATOM 0 HD22 ASN A 32 15.675 -17.675 -16.645 1.00 42.35 H new ATOM 477 N ILE A 33 17.504 -17.565 -12.629 1.00 62.23 N ATOM 478 CA ILE A 33 17.037 -16.839 -11.455 1.00 52.12 C ATOM 479 C ILE A 33 17.554 -15.404 -11.454 1.00 60.42 C ATOM 480 O ILE A 33 16.782 -14.456 -11.317 1.00 32.44 O ATOM 481 CB ILE A 33 17.477 -17.532 -10.152 1.00 73.33 C ATOM 482 CG1 ILE A 33 17.128 -19.021 -10.199 1.00 23.54 C ATOM 483 CG2 ILE A 33 16.822 -16.867 -8.951 1.00 0.20 C ATOM 484 CD1 ILE A 33 15.657 -19.291 -10.422 1.00 72.11 C ATOM 0 H ILE A 33 18.219 -18.266 -12.435 1.00 62.23 H new ATOM 0 HA ILE A 33 15.948 -16.830 -11.502 1.00 52.12 H new ATOM 0 HB ILE A 33 18.558 -17.434 -10.052 1.00 73.33 H new ATOM 0 HG12 ILE A 33 17.701 -19.495 -10.996 1.00 23.54 H new ATOM 0 HG13 ILE A 33 17.437 -19.488 -9.264 1.00 23.54 H new ATOM 0 HG21 ILE A 33 17.143 -17.368 -8.038 1.00 0.20 H new ATOM 0 HG22 ILE A 33 17.115 -15.818 -8.911 1.00 0.20 H new ATOM 0 HG23 ILE A 33 15.738 -16.938 -9.042 1.00 0.20 H new ATOM 0 HD11 ILE A 33 15.484 -20.367 -10.444 1.00 72.11 H new ATOM 0 HD12 ILE A 33 15.079 -18.847 -9.612 1.00 72.11 H new ATOM 0 HD13 ILE A 33 15.347 -18.854 -11.371 1.00 72.11 H new ATOM 496 N GLU A 34 18.866 -15.254 -11.610 1.00 54.13 N ATOM 497 CA GLU A 34 19.486 -13.934 -11.628 1.00 75.23 C ATOM 498 C GLU A 34 18.840 -13.044 -12.687 1.00 23.41 C ATOM 499 O GLU A 34 18.725 -11.832 -12.508 1.00 1.24 O ATOM 500 CB GLU A 34 20.987 -14.055 -11.895 1.00 24.34 C ATOM 501 CG GLU A 34 21.322 -14.461 -13.320 1.00 60.12 C ATOM 502 CD GLU A 34 22.815 -14.571 -13.560 1.00 62.12 C ATOM 503 OE1 GLU A 34 23.487 -15.297 -12.799 1.00 22.44 O ATOM 504 OE2 GLU A 34 23.311 -13.930 -14.511 1.00 24.54 O ATOM 0 H GLU A 34 19.519 -16.029 -11.726 1.00 54.13 H new ATOM 0 HA GLU A 34 19.334 -13.476 -10.651 1.00 75.23 H new ATOM 0 HB2 GLU A 34 21.464 -13.100 -11.677 1.00 24.34 H new ATOM 0 HB3 GLU A 34 21.412 -14.787 -11.208 1.00 24.34 H new ATOM 0 HG2 GLU A 34 20.851 -15.419 -13.541 1.00 60.12 H new ATOM 0 HG3 GLU A 34 20.900 -13.731 -14.011 1.00 60.12 H new ATOM 511 N ASP A 35 18.422 -13.655 -13.790 1.00 21.52 N ATOM 512 CA ASP A 35 17.788 -12.920 -14.878 1.00 30.12 C ATOM 513 C ASP A 35 16.402 -12.431 -14.468 1.00 62.41 C ATOM 514 O ASP A 35 16.085 -11.249 -14.601 1.00 10.54 O ATOM 515 CB ASP A 35 17.684 -13.800 -16.124 1.00 61.33 C ATOM 516 CG ASP A 35 19.008 -13.935 -16.850 1.00 43.31 C ATOM 517 OD1 ASP A 35 20.036 -13.493 -16.295 1.00 60.31 O ATOM 518 OD2 ASP A 35 19.017 -14.480 -17.974 1.00 32.54 O ATOM 0 H ASP A 35 18.511 -14.658 -13.954 1.00 21.52 H new ATOM 0 HA ASP A 35 18.407 -12.052 -15.107 1.00 30.12 H new ATOM 0 HB2 ASP A 35 17.328 -14.789 -15.838 1.00 61.33 H new ATOM 0 HB3 ASP A 35 16.942 -13.378 -16.802 1.00 61.33 H new ATOM 523 N LEU A 36 15.580 -13.349 -13.971 1.00 40.12 N ATOM 524 CA LEU A 36 14.227 -13.012 -13.543 1.00 12.02 C ATOM 525 C LEU A 36 14.247 -11.902 -12.497 1.00 2.11 C ATOM 526 O LEU A 36 13.539 -10.902 -12.623 1.00 60.01 O ATOM 527 CB LEU A 36 13.527 -14.249 -12.977 1.00 1.13 C ATOM 528 CG LEU A 36 12.023 -14.345 -13.232 1.00 54.21 C ATOM 529 CD1 LEU A 36 11.749 -14.703 -14.685 1.00 5.23 C ATOM 530 CD2 LEU A 36 11.388 -15.367 -12.300 1.00 54.25 C ATOM 0 H LEU A 36 15.827 -14.332 -13.855 1.00 40.12 H new ATOM 0 HA LEU A 36 13.675 -12.656 -14.413 1.00 12.02 H new ATOM 0 HB2 LEU A 36 14.004 -15.135 -13.396 1.00 1.13 H new ATOM 0 HB3 LEU A 36 13.695 -14.276 -11.900 1.00 1.13 H new ATOM 0 HG LEU A 36 11.577 -13.371 -13.029 1.00 54.21 H new ATOM 0 HD11 LEU A 36 10.673 -14.767 -14.847 1.00 5.23 H new ATOM 0 HD12 LEU A 36 12.169 -13.935 -15.334 1.00 5.23 H new ATOM 0 HD13 LEU A 36 12.208 -15.664 -14.916 1.00 5.23 H new ATOM 0 HD21 LEU A 36 10.317 -15.422 -12.496 1.00 54.25 H new ATOM 0 HD22 LEU A 36 11.839 -16.345 -12.471 1.00 54.25 H new ATOM 0 HD23 LEU A 36 11.553 -15.067 -11.265 1.00 54.25 H new ATOM 542 N LEU A 37 15.064 -12.083 -11.465 1.00 65.24 N ATOM 543 CA LEU A 37 15.180 -11.096 -10.398 1.00 14.23 C ATOM 544 C LEU A 37 15.567 -9.731 -10.958 1.00 13.22 C ATOM 545 O LEU A 37 15.040 -8.702 -10.535 1.00 13.43 O ATOM 546 CB LEU A 37 16.215 -11.549 -9.367 1.00 12.13 C ATOM 547 CG LEU A 37 16.736 -10.468 -8.419 1.00 14.02 C ATOM 548 CD1 LEU A 37 15.611 -9.940 -7.541 1.00 61.35 C ATOM 549 CD2 LEU A 37 17.872 -11.011 -7.564 1.00 53.50 C ATOM 0 H LEU A 37 15.656 -12.905 -11.345 1.00 65.24 H new ATOM 0 HA LEU A 37 14.208 -11.007 -9.913 1.00 14.23 H new ATOM 0 HB2 LEU A 37 15.777 -12.348 -8.769 1.00 12.13 H new ATOM 0 HB3 LEU A 37 17.064 -11.978 -9.899 1.00 12.13 H new ATOM 0 HG LEU A 37 17.121 -9.642 -9.017 1.00 14.02 H new ATOM 0 HD11 LEU A 37 16.001 -9.172 -6.873 1.00 61.35 H new ATOM 0 HD12 LEU A 37 14.829 -9.512 -8.169 1.00 61.35 H new ATOM 0 HD13 LEU A 37 15.196 -10.757 -6.951 1.00 61.35 H new ATOM 0 HD21 LEU A 37 18.230 -10.228 -6.895 1.00 53.50 H new ATOM 0 HD22 LEU A 37 17.513 -11.855 -6.975 1.00 53.50 H new ATOM 0 HD23 LEU A 37 18.688 -11.339 -8.208 1.00 53.50 H new ATOM 561 N LYS A 38 16.489 -9.729 -11.914 1.00 25.42 N ATOM 562 CA LYS A 38 16.946 -8.492 -12.536 1.00 34.12 C ATOM 563 C LYS A 38 15.779 -7.736 -13.163 1.00 72.11 C ATOM 564 O LYS A 38 15.766 -6.506 -13.187 1.00 42.11 O ATOM 565 CB LYS A 38 18.004 -8.792 -13.600 1.00 10.13 C ATOM 566 CG LYS A 38 18.509 -7.554 -14.321 1.00 73.33 C ATOM 567 CD LYS A 38 18.416 -7.712 -15.830 1.00 1.32 C ATOM 568 CE LYS A 38 19.662 -7.183 -16.523 1.00 4.31 C ATOM 569 NZ LYS A 38 20.858 -8.022 -16.232 1.00 35.12 N ATOM 0 H LYS A 38 16.935 -10.572 -12.276 1.00 25.42 H new ATOM 0 HA LYS A 38 17.388 -7.866 -11.761 1.00 34.12 H new ATOM 0 HB2 LYS A 38 18.847 -9.298 -13.130 1.00 10.13 H new ATOM 0 HB3 LYS A 38 17.586 -9.483 -14.332 1.00 10.13 H new ATOM 0 HG2 LYS A 38 17.927 -6.687 -14.008 1.00 73.33 H new ATOM 0 HG3 LYS A 38 19.544 -7.363 -14.037 1.00 73.33 H new ATOM 0 HD2 LYS A 38 18.279 -8.764 -16.079 1.00 1.32 H new ATOM 0 HD3 LYS A 38 17.539 -7.180 -16.199 1.00 1.32 H new ATOM 0 HE2 LYS A 38 19.493 -7.152 -17.599 1.00 4.31 H new ATOM 0 HE3 LYS A 38 19.850 -6.159 -16.200 1.00 4.31 H new ATOM 0 HZ1 LYS A 38 21.578 -7.866 -16.966 1.00 35.12 H new ATOM 0 HZ2 LYS A 38 21.248 -7.761 -15.304 1.00 35.12 H new ATOM 0 HZ3 LYS A 38 20.584 -9.025 -16.223 1.00 35.12 H new ATOM 583 N GLU A 39 14.800 -8.481 -13.668 1.00 42.33 N ATOM 584 CA GLU A 39 13.629 -7.879 -14.295 1.00 10.01 C ATOM 585 C GLU A 39 12.673 -7.326 -13.242 1.00 53.32 C ATOM 586 O GLU A 39 12.243 -6.174 -13.321 1.00 44.21 O ATOM 587 CB GLU A 39 12.905 -8.907 -15.167 1.00 42.34 C ATOM 588 CG GLU A 39 13.725 -9.383 -16.354 1.00 45.25 C ATOM 589 CD GLU A 39 13.621 -10.880 -16.573 1.00 55.44 C ATOM 590 OE1 GLU A 39 12.639 -11.482 -16.090 1.00 10.21 O ATOM 591 OE2 GLU A 39 14.519 -11.449 -17.227 1.00 42.44 O ATOM 0 H GLU A 39 14.795 -9.501 -13.655 1.00 42.33 H new ATOM 0 HA GLU A 39 13.968 -7.055 -14.923 1.00 10.01 H new ATOM 0 HB2 GLU A 39 12.637 -9.767 -14.553 1.00 42.34 H new ATOM 0 HB3 GLU A 39 11.974 -8.472 -15.530 1.00 42.34 H new ATOM 0 HG2 GLU A 39 13.391 -8.864 -17.253 1.00 45.25 H new ATOM 0 HG3 GLU A 39 14.770 -9.114 -16.200 1.00 45.25 H new ATOM 598 N LEU A 40 12.343 -8.154 -12.258 1.00 33.23 N ATOM 599 CA LEU A 40 11.437 -7.749 -11.188 1.00 74.45 C ATOM 600 C LEU A 40 12.006 -6.567 -10.411 1.00 13.10 C ATOM 601 O LEU A 40 11.278 -5.645 -10.041 1.00 43.00 O ATOM 602 CB LEU A 40 11.179 -8.922 -10.240 1.00 44.30 C ATOM 603 CG LEU A 40 10.096 -9.910 -10.673 1.00 62.32 C ATOM 604 CD1 LEU A 40 8.761 -9.201 -10.836 1.00 73.32 C ATOM 605 CD2 LEU A 40 10.495 -10.605 -11.967 1.00 52.12 C ATOM 0 H LEU A 40 12.689 -9.110 -12.178 1.00 33.23 H new ATOM 0 HA LEU A 40 10.494 -7.442 -11.640 1.00 74.45 H new ATOM 0 HB2 LEU A 40 12.112 -9.470 -10.111 1.00 44.30 H new ATOM 0 HB3 LEU A 40 10.907 -8.521 -9.264 1.00 44.30 H new ATOM 0 HG LEU A 40 9.989 -10.667 -9.896 1.00 62.32 H new ATOM 0 HD11 LEU A 40 8.002 -9.920 -11.145 1.00 73.32 H new ATOM 0 HD12 LEU A 40 8.470 -8.751 -9.887 1.00 73.32 H new ATOM 0 HD13 LEU A 40 8.852 -8.423 -11.594 1.00 73.32 H new ATOM 0 HD21 LEU A 40 9.712 -11.305 -12.260 1.00 52.12 H new ATOM 0 HD22 LEU A 40 10.630 -9.862 -12.753 1.00 52.12 H new ATOM 0 HD23 LEU A 40 11.428 -11.147 -11.816 1.00 52.12 H new ATOM 617 N LYS A 41 13.312 -6.599 -10.168 1.00 15.31 N ATOM 618 CA LYS A 41 13.981 -5.529 -9.438 1.00 13.43 C ATOM 619 C LYS A 41 13.697 -4.173 -10.077 1.00 73.33 C ATOM 620 O LYS A 41 13.219 -3.250 -9.416 1.00 61.53 O ATOM 621 CB LYS A 41 15.490 -5.778 -9.395 1.00 71.34 C ATOM 622 CG LYS A 41 15.899 -6.870 -8.421 1.00 52.43 C ATOM 623 CD LYS A 41 16.874 -6.349 -7.378 1.00 73.43 C ATOM 624 CE LYS A 41 18.298 -6.324 -7.910 1.00 64.45 C ATOM 625 NZ LYS A 41 18.848 -7.697 -8.089 1.00 0.21 N ATOM 0 H LYS A 41 13.928 -7.355 -10.466 1.00 15.31 H new ATOM 0 HA LYS A 41 13.591 -5.520 -8.420 1.00 13.43 H new ATOM 0 HB2 LYS A 41 15.834 -6.046 -10.394 1.00 71.34 H new ATOM 0 HB3 LYS A 41 15.995 -4.851 -9.122 1.00 71.34 H new ATOM 0 HG2 LYS A 41 15.013 -7.268 -7.926 1.00 52.43 H new ATOM 0 HG3 LYS A 41 16.356 -7.695 -8.968 1.00 52.43 H new ATOM 0 HD2 LYS A 41 16.580 -5.344 -7.074 1.00 73.43 H new ATOM 0 HD3 LYS A 41 16.828 -6.978 -6.489 1.00 73.43 H new ATOM 0 HE2 LYS A 41 18.320 -5.797 -8.864 1.00 64.45 H new ATOM 0 HE3 LYS A 41 18.933 -5.765 -7.222 1.00 64.45 H new ATOM 0 HZ1 LYS A 41 19.789 -7.754 -7.649 1.00 0.21 H new ATOM 0 HZ2 LYS A 41 18.213 -8.387 -7.639 1.00 0.21 H new ATOM 0 HZ3 LYS A 41 18.927 -7.910 -9.104 1.00 0.21 H new ATOM 639 N THR A 42 13.992 -4.060 -11.369 1.00 3.45 N ATOM 640 CA THR A 42 13.769 -2.817 -12.097 1.00 75.53 C ATOM 641 C THR A 42 12.280 -2.510 -12.215 1.00 42.42 C ATOM 642 O THR A 42 11.854 -1.372 -12.015 1.00 65.51 O ATOM 643 CB THR A 42 14.382 -2.876 -13.509 1.00 4.11 C ATOM 644 OG1 THR A 42 13.750 -3.907 -14.276 1.00 1.32 O ATOM 645 CG2 THR A 42 15.880 -3.136 -13.437 1.00 54.15 C ATOM 0 H THR A 42 14.386 -4.814 -11.932 1.00 3.45 H new ATOM 0 HA THR A 42 14.258 -2.025 -11.529 1.00 75.53 H new ATOM 0 HB THR A 42 14.218 -1.913 -13.993 1.00 4.11 H new ATOM 0 HG1 THR A 42 13.439 -4.617 -13.676 1.00 1.32 H new ATOM 0 HG21 THR A 42 16.292 -3.174 -14.446 1.00 54.15 H new ATOM 0 HG22 THR A 42 16.362 -2.334 -12.878 1.00 54.15 H new ATOM 0 HG23 THR A 42 16.061 -4.087 -12.936 1.00 54.15 H new ATOM 653 N MET A 43 11.494 -3.530 -12.541 1.00 34.25 N ATOM 654 CA MET A 43 10.051 -3.368 -12.683 1.00 3.21 C ATOM 655 C MET A 43 9.445 -2.764 -11.420 1.00 31.30 C ATOM 656 O MET A 43 8.414 -2.095 -11.474 1.00 61.11 O ATOM 657 CB MET A 43 9.392 -4.715 -12.986 1.00 3.23 C ATOM 658 CG MET A 43 9.501 -5.130 -14.444 1.00 33.21 C ATOM 659 SD MET A 43 8.487 -6.570 -14.833 1.00 65.11 S ATOM 660 CE MET A 43 9.326 -7.190 -16.290 1.00 34.15 C ATOM 0 H MET A 43 11.831 -4.477 -12.712 1.00 34.25 H new ATOM 0 HA MET A 43 9.867 -2.687 -13.514 1.00 3.21 H new ATOM 0 HB2 MET A 43 9.850 -5.483 -12.363 1.00 3.23 H new ATOM 0 HB3 MET A 43 8.339 -4.666 -12.708 1.00 3.23 H new ATOM 0 HG2 MET A 43 9.200 -4.296 -15.079 1.00 33.21 H new ATOM 0 HG3 MET A 43 10.543 -5.350 -14.679 1.00 33.21 H new ATOM 0 HE1 MET A 43 8.677 -7.892 -16.813 1.00 34.15 H new ATOM 0 HE2 MET A 43 9.568 -6.358 -16.952 1.00 34.15 H new ATOM 0 HE3 MET A 43 10.244 -7.697 -15.993 1.00 34.15 H new ATOM 670 N ASN A 44 10.092 -3.006 -10.284 1.00 72.24 N ATOM 671 CA ASN A 44 9.615 -2.487 -9.008 1.00 0.13 C ATOM 672 C ASN A 44 9.813 -0.976 -8.927 1.00 20.33 C ATOM 673 O ASN A 44 8.903 -0.240 -8.547 1.00 72.21 O ATOM 674 CB ASN A 44 10.345 -3.171 -7.850 1.00 65.03 C ATOM 675 CG ASN A 44 10.006 -2.554 -6.507 1.00 72.41 C ATOM 676 OD1 ASN A 44 10.888 -2.304 -5.686 1.00 0.41 O ATOM 677 ND2 ASN A 44 8.721 -2.307 -6.278 1.00 24.34 N ATOM 0 H ASN A 44 10.947 -3.558 -10.222 1.00 72.24 H new ATOM 0 HA ASN A 44 8.549 -2.701 -8.933 1.00 0.13 H new ATOM 0 HB2 ASN A 44 10.086 -4.230 -7.836 1.00 65.03 H new ATOM 0 HB3 ASN A 44 11.421 -3.108 -8.014 1.00 65.03 H new ATOM 0 HD21 ASN A 44 8.431 -1.893 -5.392 1.00 24.34 H new ATOM 0 HD22 ASN A 44 8.024 -2.531 -6.988 1.00 24.34 H new ATOM 684 N ALA A 45 11.009 -0.522 -9.287 1.00 12.31 N ATOM 685 CA ALA A 45 11.326 0.901 -9.258 1.00 33.22 C ATOM 686 C ALA A 45 10.591 1.650 -10.365 1.00 21.35 C ATOM 687 O ALA A 45 10.312 2.842 -10.241 1.00 22.13 O ATOM 688 CB ALA A 45 12.828 1.110 -9.384 1.00 34.54 C ATOM 0 H ALA A 45 11.774 -1.118 -9.602 1.00 12.31 H new ATOM 0 HA ALA A 45 10.993 1.303 -8.301 1.00 33.22 H new ATOM 0 HB1 ALA A 45 13.050 2.177 -9.361 1.00 34.54 H new ATOM 0 HB2 ALA A 45 13.335 0.616 -8.555 1.00 34.54 H new ATOM 0 HB3 ALA A 45 13.176 0.687 -10.326 1.00 34.54 H new ATOM 694 N ALA A 46 10.281 0.943 -11.446 1.00 61.42 N ATOM 695 CA ALA A 46 9.578 1.541 -12.574 1.00 73.41 C ATOM 696 C ALA A 46 8.218 2.083 -12.148 1.00 11.32 C ATOM 697 O ALA A 46 7.876 3.230 -12.439 1.00 45.34 O ATOM 698 CB ALA A 46 9.415 0.523 -13.694 1.00 13.51 C ATOM 0 H ALA A 46 10.506 -0.045 -11.565 1.00 61.42 H new ATOM 0 HA ALA A 46 10.175 2.376 -12.941 1.00 73.41 H new ATOM 0 HB1 ALA A 46 8.888 0.983 -14.530 1.00 13.51 H new ATOM 0 HB2 ALA A 46 10.397 0.186 -14.025 1.00 13.51 H new ATOM 0 HB3 ALA A 46 8.843 -0.330 -13.330 1.00 13.51 H new ATOM 704 N LEU A 47 7.445 1.253 -11.457 1.00 72.41 N ATOM 705 CA LEU A 47 6.121 1.649 -10.991 1.00 14.22 C ATOM 706 C LEU A 47 6.197 2.922 -10.154 1.00 54.32 C ATOM 707 O LEU A 47 5.234 3.687 -10.081 1.00 31.55 O ATOM 708 CB LEU A 47 5.489 0.523 -10.170 1.00 51.24 C ATOM 709 CG LEU A 47 5.945 0.416 -8.715 1.00 23.30 C ATOM 710 CD1 LEU A 47 4.952 1.104 -7.792 1.00 32.22 C ATOM 711 CD2 LEU A 47 6.123 -1.043 -8.318 1.00 41.42 C ATOM 0 H LEU A 47 7.712 0.301 -11.207 1.00 72.41 H new ATOM 0 HA LEU A 47 5.500 1.846 -11.865 1.00 14.22 H new ATOM 0 HB2 LEU A 47 4.407 0.655 -10.182 1.00 51.24 H new ATOM 0 HB3 LEU A 47 5.700 -0.424 -10.667 1.00 51.24 H new ATOM 0 HG LEU A 47 6.907 0.918 -8.618 1.00 23.30 H new ATOM 0 HD11 LEU A 47 5.294 1.017 -6.761 1.00 32.22 H new ATOM 0 HD12 LEU A 47 4.874 2.157 -8.061 1.00 32.22 H new ATOM 0 HD13 LEU A 47 3.975 0.631 -7.892 1.00 32.22 H new ATOM 0 HD21 LEU A 47 6.448 -1.100 -7.279 1.00 41.42 H new ATOM 0 HD22 LEU A 47 5.175 -1.569 -8.431 1.00 41.42 H new ATOM 0 HD23 LEU A 47 6.874 -1.506 -8.959 1.00 41.42 H new ATOM 723 N ILE A 48 7.347 3.145 -9.528 1.00 30.54 N ATOM 724 CA ILE A 48 7.549 4.327 -8.699 1.00 62.23 C ATOM 725 C ILE A 48 7.695 5.580 -9.556 1.00 73.21 C ATOM 726 O ILE A 48 7.053 6.599 -9.300 1.00 5.15 O ATOM 727 CB ILE A 48 8.795 4.182 -7.806 1.00 23.21 C ATOM 728 CG1 ILE A 48 8.703 2.905 -6.968 1.00 63.22 C ATOM 729 CG2 ILE A 48 8.948 5.401 -6.908 1.00 62.34 C ATOM 730 CD1 ILE A 48 9.991 2.556 -6.255 1.00 13.24 C ATOM 0 H ILE A 48 8.154 2.523 -9.579 1.00 30.54 H new ATOM 0 HA ILE A 48 6.667 4.423 -8.065 1.00 62.23 H new ATOM 0 HB ILE A 48 9.675 4.113 -8.445 1.00 23.21 H new ATOM 0 HG12 ILE A 48 7.909 3.020 -6.231 1.00 63.22 H new ATOM 0 HG13 ILE A 48 8.419 2.075 -7.615 1.00 63.22 H new ATOM 0 HG21 ILE A 48 9.833 5.284 -6.283 1.00 62.34 H new ATOM 0 HG22 ILE A 48 9.054 6.295 -7.523 1.00 62.34 H new ATOM 0 HG23 ILE A 48 8.067 5.499 -6.274 1.00 62.34 H new ATOM 0 HD11 ILE A 48 9.852 1.640 -5.681 1.00 13.24 H new ATOM 0 HD12 ILE A 48 10.784 2.408 -6.988 1.00 13.24 H new ATOM 0 HD13 ILE A 48 10.266 3.368 -5.582 1.00 13.24 H new ATOM 742 N LYS A 49 8.541 5.497 -10.577 1.00 22.11 N ATOM 743 CA LYS A 49 8.770 6.622 -11.475 1.00 50.32 C ATOM 744 C LYS A 49 7.549 6.873 -12.355 1.00 64.11 C ATOM 745 O LYS A 49 7.058 7.998 -12.444 1.00 51.44 O ATOM 746 CB LYS A 49 9.998 6.361 -12.350 1.00 51.45 C ATOM 747 CG LYS A 49 11.314 6.672 -11.660 1.00 4.24 C ATOM 748 CD LYS A 49 11.763 5.523 -10.772 1.00 41.40 C ATOM 749 CE LYS A 49 13.216 5.680 -10.349 1.00 52.14 C ATOM 750 NZ LYS A 49 14.151 5.103 -11.354 1.00 42.13 N ATOM 0 H LYS A 49 9.080 4.661 -10.803 1.00 22.11 H new ATOM 0 HA LYS A 49 8.947 7.510 -10.868 1.00 50.32 H new ATOM 0 HB2 LYS A 49 9.998 5.316 -12.659 1.00 51.45 H new ATOM 0 HB3 LYS A 49 9.922 6.962 -13.256 1.00 51.45 H new ATOM 0 HG2 LYS A 49 12.080 6.875 -12.409 1.00 4.24 H new ATOM 0 HG3 LYS A 49 11.207 7.576 -11.061 1.00 4.24 H new ATOM 0 HD2 LYS A 49 11.128 5.476 -9.887 1.00 41.40 H new ATOM 0 HD3 LYS A 49 11.638 4.580 -11.304 1.00 41.40 H new ATOM 0 HE2 LYS A 49 13.441 6.737 -10.208 1.00 52.14 H new ATOM 0 HE3 LYS A 49 13.369 5.191 -9.387 1.00 52.14 H new ATOM 0 HZ1 LYS A 49 15.131 5.230 -11.029 1.00 42.13 H new ATOM 0 HZ2 LYS A 49 13.953 4.089 -11.470 1.00 42.13 H new ATOM 0 HZ3 LYS A 49 14.023 5.587 -12.265 1.00 42.13 H new ATOM 764 N ILE A 50 7.065 5.818 -13.001 1.00 71.12 N ATOM 765 CA ILE A 50 5.900 5.924 -13.871 1.00 44.24 C ATOM 766 C ILE A 50 4.626 6.134 -13.061 1.00 32.41 C ATOM 767 O ILE A 50 3.615 6.600 -13.584 1.00 35.30 O ATOM 768 CB ILE A 50 5.737 4.669 -14.749 1.00 51.21 C ATOM 769 CG1 ILE A 50 5.376 3.459 -13.885 1.00 14.41 C ATOM 770 CG2 ILE A 50 7.012 4.403 -15.536 1.00 13.43 C ATOM 771 CD1 ILE A 50 3.904 3.110 -13.920 1.00 64.51 C ATOM 0 H ILE A 50 7.461 4.880 -12.939 1.00 71.12 H new ATOM 0 HA ILE A 50 6.064 6.788 -14.514 1.00 44.24 H new ATOM 0 HB ILE A 50 4.926 4.842 -15.457 1.00 51.21 H new ATOM 0 HG12 ILE A 50 5.954 2.598 -14.221 1.00 14.41 H new ATOM 0 HG13 ILE A 50 5.670 3.658 -12.854 1.00 14.41 H new ATOM 0 HG21 ILE A 50 6.881 3.513 -16.151 1.00 13.43 H new ATOM 0 HG22 ILE A 50 7.229 5.258 -16.176 1.00 13.43 H new ATOM 0 HG23 ILE A 50 7.840 4.247 -14.845 1.00 13.43 H new ATOM 0 HD11 ILE A 50 3.720 2.243 -13.285 1.00 64.51 H new ATOM 0 HD12 ILE A 50 3.321 3.956 -13.556 1.00 64.51 H new ATOM 0 HD13 ILE A 50 3.609 2.879 -14.944 1.00 64.51 H new ATOM 783 N GLY A 51 4.683 5.787 -11.778 1.00 74.25 N ATOM 784 CA GLY A 51 3.527 5.946 -10.915 1.00 71.32 C ATOM 785 C GLY A 51 2.995 7.365 -10.914 1.00 11.00 C ATOM 786 O GLY A 51 1.822 7.594 -10.622 1.00 54.12 O ATOM 0 H GLY A 51 5.509 5.399 -11.322 1.00 74.25 H new ATOM 0 HA2 GLY A 51 2.739 5.266 -11.239 1.00 71.32 H new ATOM 0 HA3 GLY A 51 3.795 5.661 -9.898 1.00 71.32 H new ATOM 790 N GLU A 52 3.860 8.320 -11.239 1.00 43.25 N ATOM 791 CA GLU A 52 3.470 9.725 -11.272 1.00 22.21 C ATOM 792 C GLU A 52 3.418 10.242 -12.707 1.00 31.03 C ATOM 793 O GLU A 52 3.522 11.444 -12.949 1.00 41.43 O ATOM 794 CB GLU A 52 4.447 10.568 -10.450 1.00 25.42 C ATOM 795 CG GLU A 52 4.274 10.409 -8.949 1.00 24.04 C ATOM 796 CD GLU A 52 3.142 11.255 -8.399 1.00 72.53 C ATOM 797 OE1 GLU A 52 1.994 11.079 -8.860 1.00 42.51 O ATOM 798 OE2 GLU A 52 3.403 12.091 -7.510 1.00 34.14 O ATOM 0 H GLU A 52 4.835 8.147 -11.483 1.00 43.25 H new ATOM 0 HA GLU A 52 2.474 9.809 -10.837 1.00 22.21 H new ATOM 0 HB2 GLU A 52 5.467 10.294 -10.721 1.00 25.42 H new ATOM 0 HB3 GLU A 52 4.318 11.618 -10.713 1.00 25.42 H new ATOM 0 HG2 GLU A 52 4.084 9.361 -8.718 1.00 24.04 H new ATOM 0 HG3 GLU A 52 5.203 10.683 -8.449 1.00 24.04 H new ATOM 805 N VAL A 53 3.256 9.324 -13.655 1.00 2.33 N ATOM 806 CA VAL A 53 3.189 9.686 -15.066 1.00 4.25 C ATOM 807 C VAL A 53 2.109 10.733 -15.314 1.00 31.41 C ATOM 808 O VAL A 53 0.980 10.620 -14.837 1.00 15.21 O ATOM 809 CB VAL A 53 2.909 8.455 -15.948 1.00 41.30 C ATOM 810 CG1 VAL A 53 2.254 8.874 -17.256 1.00 21.44 C ATOM 811 CG2 VAL A 53 4.194 7.683 -16.209 1.00 12.43 C ATOM 0 H VAL A 53 3.169 8.324 -13.471 1.00 2.33 H new ATOM 0 HA VAL A 53 4.161 10.101 -15.333 1.00 4.25 H new ATOM 0 HB VAL A 53 2.219 7.798 -15.417 1.00 41.30 H new ATOM 0 HG11 VAL A 53 2.063 7.991 -17.867 1.00 21.44 H new ATOM 0 HG12 VAL A 53 1.312 9.380 -17.045 1.00 21.44 H new ATOM 0 HG13 VAL A 53 2.917 9.551 -17.794 1.00 21.44 H new ATOM 0 HG21 VAL A 53 3.977 6.816 -16.834 1.00 12.43 H new ATOM 0 HG22 VAL A 53 4.909 8.328 -16.719 1.00 12.43 H new ATOM 0 HG23 VAL A 53 4.617 7.350 -15.261 1.00 12.43 H new ATOM 821 N PRO A 54 2.461 11.776 -16.079 1.00 50.42 N ATOM 822 CA PRO A 54 1.535 12.864 -16.410 1.00 31.43 C ATOM 823 C PRO A 54 0.429 12.415 -17.359 1.00 64.13 C ATOM 824 O PRO A 54 0.488 11.339 -17.954 1.00 60.34 O ATOM 825 CB PRO A 54 2.433 13.901 -17.087 1.00 44.25 C ATOM 826 CG PRO A 54 3.572 13.114 -17.639 1.00 11.13 C ATOM 827 CD PRO A 54 3.790 11.975 -16.681 1.00 40.32 C ATOM 0 HA PRO A 54 1.017 13.241 -15.528 1.00 31.43 H new ATOM 0 HB2 PRO A 54 1.900 14.432 -17.876 1.00 44.25 H new ATOM 0 HB3 PRO A 54 2.778 14.651 -16.375 1.00 44.25 H new ATOM 0 HG2 PRO A 54 3.343 12.745 -18.639 1.00 11.13 H new ATOM 0 HG3 PRO A 54 4.467 13.730 -17.724 1.00 11.13 H new ATOM 0 HD2 PRO A 54 4.137 11.078 -17.195 1.00 40.32 H new ATOM 0 HD3 PRO A 54 4.539 12.221 -15.928 1.00 40.32 H new ATOM 835 N PRO A 55 -0.604 13.258 -17.506 1.00 64.34 N ATOM 836 CA PRO A 55 -1.742 12.969 -18.384 1.00 1.12 C ATOM 837 C PRO A 55 -1.363 13.020 -19.860 1.00 75.11 C ATOM 838 O PRO A 55 -2.156 12.652 -20.727 1.00 34.20 O ATOM 839 CB PRO A 55 -2.739 14.081 -18.049 1.00 1.32 C ATOM 840 CG PRO A 55 -1.900 15.201 -17.536 1.00 62.55 C ATOM 841 CD PRO A 55 -0.740 14.558 -16.828 1.00 64.41 C ATOM 0 HA PRO A 55 -2.134 11.964 -18.226 1.00 1.12 H new ATOM 0 HB2 PRO A 55 -3.306 14.383 -18.930 1.00 1.32 H new ATOM 0 HB3 PRO A 55 -3.461 13.753 -17.302 1.00 1.32 H new ATOM 0 HG2 PRO A 55 -1.556 15.836 -18.352 1.00 62.55 H new ATOM 0 HG3 PRO A 55 -2.469 15.835 -16.856 1.00 62.55 H new ATOM 0 HD2 PRO A 55 0.167 15.155 -16.919 1.00 64.41 H new ATOM 0 HD3 PRO A 55 -0.937 14.437 -15.763 1.00 64.41 H new ATOM 849 N ASP A 56 -0.148 13.477 -20.139 1.00 1.31 N ATOM 850 CA ASP A 56 0.336 13.575 -21.511 1.00 63.40 C ATOM 851 C ASP A 56 0.469 12.191 -22.140 1.00 0.12 C ATOM 852 O ASP A 56 0.075 11.980 -23.287 1.00 3.54 O ATOM 853 CB ASP A 56 1.684 14.297 -21.549 1.00 11.11 C ATOM 854 CG ASP A 56 1.907 15.038 -22.853 1.00 23.43 C ATOM 855 OD1 ASP A 56 0.908 15.412 -23.502 1.00 31.31 O ATOM 856 OD2 ASP A 56 3.082 15.244 -23.224 1.00 34.14 O ATOM 0 H ASP A 56 0.520 13.786 -19.433 1.00 1.31 H new ATOM 0 HA ASP A 56 -0.391 14.148 -22.086 1.00 63.40 H new ATOM 0 HB2 ASP A 56 1.739 15.002 -20.720 1.00 11.11 H new ATOM 0 HB3 ASP A 56 2.485 13.572 -21.405 1.00 11.11 H new ATOM 861 N GLN A 57 1.027 11.253 -21.381 1.00 71.04 N ATOM 862 CA GLN A 57 1.213 9.890 -21.866 1.00 11.42 C ATOM 863 C GLN A 57 0.387 8.904 -21.047 1.00 23.15 C ATOM 864 O GLN A 57 0.622 7.695 -21.090 1.00 53.41 O ATOM 865 CB GLN A 57 2.692 9.505 -21.811 1.00 61.40 C ATOM 866 CG GLN A 57 3.380 9.912 -20.518 1.00 53.41 C ATOM 867 CD GLN A 57 4.726 9.240 -20.336 1.00 43.30 C ATOM 868 OE1 GLN A 57 4.803 8.042 -20.062 1.00 41.24 O ATOM 869 NE2 GLN A 57 5.798 10.010 -20.488 1.00 33.15 N ATOM 0 H GLN A 57 1.358 11.411 -20.429 1.00 71.04 H new ATOM 0 HA GLN A 57 0.873 9.849 -22.901 1.00 11.42 H new ATOM 0 HB2 GLN A 57 2.783 8.426 -21.937 1.00 61.40 H new ATOM 0 HB3 GLN A 57 3.211 9.969 -22.650 1.00 61.40 H new ATOM 0 HG2 GLN A 57 3.514 10.994 -20.507 1.00 53.41 H new ATOM 0 HG3 GLN A 57 2.737 9.662 -19.674 1.00 53.41 H new ATOM 0 HE21 GLN A 57 5.688 10.998 -20.715 1.00 33.15 H new ATOM 0 HE22 GLN A 57 6.731 9.613 -20.378 1.00 33.15 H new ATOM 878 N LEU A 58 -0.579 9.426 -20.300 1.00 13.22 N ATOM 879 CA LEU A 58 -1.440 8.591 -19.469 1.00 55.35 C ATOM 880 C LEU A 58 -2.525 7.923 -20.309 1.00 2.40 C ATOM 881 O LEU A 58 -3.392 8.595 -20.869 1.00 64.43 O ATOM 882 CB LEU A 58 -2.081 9.429 -18.361 1.00 61.32 C ATOM 883 CG LEU A 58 -2.974 8.671 -17.378 1.00 61.12 C ATOM 884 CD1 LEU A 58 -2.243 7.461 -16.817 1.00 75.33 C ATOM 885 CD2 LEU A 58 -3.429 9.590 -16.254 1.00 32.32 C ATOM 0 H LEU A 58 -0.786 10.424 -20.252 1.00 13.22 H new ATOM 0 HA LEU A 58 -0.824 7.813 -19.018 1.00 55.35 H new ATOM 0 HB2 LEU A 58 -1.287 9.918 -17.797 1.00 61.32 H new ATOM 0 HB3 LEU A 58 -2.673 10.217 -18.826 1.00 61.32 H new ATOM 0 HG LEU A 58 -3.856 8.321 -17.914 1.00 61.12 H new ATOM 0 HD11 LEU A 58 -2.894 6.934 -16.119 1.00 75.33 H new ATOM 0 HD12 LEU A 58 -1.967 6.792 -17.632 1.00 75.33 H new ATOM 0 HD13 LEU A 58 -1.343 7.789 -16.297 1.00 75.33 H new ATOM 0 HD21 LEU A 58 -4.064 9.034 -15.564 1.00 32.32 H new ATOM 0 HD22 LEU A 58 -2.558 9.970 -15.720 1.00 32.32 H new ATOM 0 HD23 LEU A 58 -3.992 10.425 -16.672 1.00 32.32 H new ATOM 897 N ASP A 59 -2.471 6.599 -20.390 1.00 32.55 N ATOM 898 CA ASP A 59 -3.451 5.839 -21.158 1.00 22.03 C ATOM 899 C ASP A 59 -4.220 4.877 -20.258 1.00 1.05 C ATOM 900 O ASP A 59 -3.860 4.674 -19.098 1.00 42.10 O ATOM 901 CB ASP A 59 -2.760 5.064 -22.281 1.00 20.01 C ATOM 902 CG ASP A 59 -2.564 5.903 -23.528 1.00 53.31 C ATOM 903 OD1 ASP A 59 -2.103 7.056 -23.400 1.00 43.43 O ATOM 904 OD2 ASP A 59 -2.874 5.407 -24.632 1.00 4.50 O ATOM 0 H ASP A 59 -1.759 6.029 -19.933 1.00 32.55 H new ATOM 0 HA ASP A 59 -4.159 6.543 -21.595 1.00 22.03 H new ATOM 0 HB2 ASP A 59 -1.791 4.708 -21.930 1.00 20.01 H new ATOM 0 HB3 ASP A 59 -3.353 4.183 -22.529 1.00 20.01 H new ATOM 909 N SER A 60 -5.281 4.288 -20.799 1.00 53.22 N ATOM 910 CA SER A 60 -6.104 3.351 -20.044 1.00 14.34 C ATOM 911 C SER A 60 -5.347 2.054 -19.778 1.00 64.13 C ATOM 912 O SER A 60 -5.621 1.351 -18.806 1.00 72.34 O ATOM 913 CB SER A 60 -7.400 3.053 -20.800 1.00 71.23 C ATOM 914 OG SER A 60 -8.083 4.249 -21.133 1.00 75.20 O ATOM 0 H SER A 60 -5.591 4.443 -21.758 1.00 53.22 H new ATOM 0 HA SER A 60 -6.348 3.811 -19.087 1.00 14.34 H new ATOM 0 HB2 SER A 60 -7.174 2.494 -21.708 1.00 71.23 H new ATOM 0 HB3 SER A 60 -8.044 2.421 -20.189 1.00 71.23 H new ATOM 0 HG SER A 60 -8.907 4.031 -21.617 1.00 75.20 H new ATOM 920 N GLN A 61 -4.392 1.745 -20.650 1.00 73.41 N ATOM 921 CA GLN A 61 -3.595 0.532 -20.511 1.00 30.22 C ATOM 922 C GLN A 61 -2.483 0.726 -19.485 1.00 33.21 C ATOM 923 O GLN A 61 -2.046 -0.228 -18.841 1.00 71.00 O ATOM 924 CB GLN A 61 -2.996 0.132 -21.860 1.00 42.44 C ATOM 925 CG GLN A 61 -1.962 -0.978 -21.762 1.00 43.43 C ATOM 926 CD GLN A 61 -2.544 -2.273 -21.233 1.00 35.02 C ATOM 927 OE1 GLN A 61 -2.091 -2.802 -20.218 1.00 25.41 O ATOM 928 NE2 GLN A 61 -3.556 -2.791 -21.919 1.00 34.41 N ATOM 0 H GLN A 61 -4.152 2.317 -21.459 1.00 73.41 H new ATOM 0 HA GLN A 61 -4.251 -0.265 -20.162 1.00 30.22 H new ATOM 0 HB2 GLN A 61 -3.799 -0.188 -22.524 1.00 42.44 H new ATOM 0 HB3 GLN A 61 -2.535 1.007 -22.317 1.00 42.44 H new ATOM 0 HG2 GLN A 61 -1.529 -1.154 -22.747 1.00 43.43 H new ATOM 0 HG3 GLN A 61 -1.150 -0.656 -21.110 1.00 43.43 H new ATOM 0 HE21 GLN A 61 -3.900 -2.319 -22.755 1.00 34.41 H new ATOM 0 HE22 GLN A 61 -3.989 -3.661 -21.610 1.00 34.41 H new ATOM 937 N ASP A 62 -2.030 1.966 -19.338 1.00 54.04 N ATOM 938 CA ASP A 62 -0.970 2.286 -18.390 1.00 63.40 C ATOM 939 C ASP A 62 -1.302 1.748 -17.002 1.00 22.53 C ATOM 940 O ASP A 62 -0.412 1.351 -16.248 1.00 54.23 O ATOM 941 CB ASP A 62 -0.752 3.798 -18.326 1.00 13.21 C ATOM 942 CG ASP A 62 -0.025 4.331 -19.545 1.00 23.34 C ATOM 943 OD1 ASP A 62 -0.040 3.648 -20.590 1.00 33.12 O ATOM 944 OD2 ASP A 62 0.561 5.430 -19.453 1.00 2.01 O ATOM 0 H ASP A 62 -2.381 2.767 -19.864 1.00 54.04 H new ATOM 0 HA ASP A 62 -0.052 1.809 -18.735 1.00 63.40 H new ATOM 0 HB2 ASP A 62 -1.716 4.298 -18.235 1.00 13.21 H new ATOM 0 HB3 ASP A 62 -0.181 4.042 -17.430 1.00 13.21 H new ATOM 949 N LYS A 63 -2.588 1.738 -16.669 1.00 31.51 N ATOM 950 CA LYS A 63 -3.039 1.248 -15.372 1.00 14.45 C ATOM 951 C LYS A 63 -2.891 -0.267 -15.280 1.00 11.13 C ATOM 952 O LYS A 63 -2.485 -0.800 -14.246 1.00 44.31 O ATOM 953 CB LYS A 63 -4.498 1.644 -15.134 1.00 15.03 C ATOM 954 CG LYS A 63 -4.768 3.125 -15.336 1.00 41.03 C ATOM 955 CD LYS A 63 -4.119 3.964 -14.248 1.00 71.20 C ATOM 956 CE LYS A 63 -5.003 4.056 -13.014 1.00 31.02 C ATOM 957 NZ LYS A 63 -4.556 5.135 -12.090 1.00 43.24 N ATOM 0 H LYS A 63 -3.337 2.064 -17.280 1.00 31.51 H new ATOM 0 HA LYS A 63 -2.415 1.703 -14.603 1.00 14.45 H new ATOM 0 HB2 LYS A 63 -5.135 1.072 -15.808 1.00 15.03 H new ATOM 0 HB3 LYS A 63 -4.779 1.367 -14.118 1.00 15.03 H new ATOM 0 HG2 LYS A 63 -4.390 3.435 -16.310 1.00 41.03 H new ATOM 0 HG3 LYS A 63 -5.843 3.302 -15.341 1.00 41.03 H new ATOM 0 HD2 LYS A 63 -3.157 3.529 -13.976 1.00 71.20 H new ATOM 0 HD3 LYS A 63 -3.919 4.965 -14.629 1.00 71.20 H new ATOM 0 HE2 LYS A 63 -6.033 4.242 -13.318 1.00 31.02 H new ATOM 0 HE3 LYS A 63 -4.994 3.101 -12.489 1.00 31.02 H new ATOM 0 HZ1 LYS A 63 -5.184 5.165 -11.262 1.00 43.24 H new ATOM 0 HZ2 LYS A 63 -3.582 4.944 -11.779 1.00 43.24 H new ATOM 0 HZ3 LYS A 63 -4.589 6.050 -12.583 1.00 43.24 H new ATOM 971 N LEU A 64 -3.221 -0.956 -16.366 1.00 54.13 N ATOM 972 CA LEU A 64 -3.123 -2.411 -16.409 1.00 13.20 C ATOM 973 C LEU A 64 -1.665 -2.858 -16.415 1.00 32.43 C ATOM 974 O LEU A 64 -1.345 -3.968 -15.988 1.00 44.31 O ATOM 975 CB LEU A 64 -3.840 -2.954 -17.646 1.00 53.03 C ATOM 976 CG LEU A 64 -5.323 -3.284 -17.472 1.00 20.41 C ATOM 977 CD1 LEU A 64 -6.148 -2.010 -17.392 1.00 52.52 C ATOM 978 CD2 LEU A 64 -5.810 -4.167 -18.612 1.00 33.03 C ATOM 0 H LEU A 64 -3.559 -0.531 -17.229 1.00 54.13 H new ATOM 0 HA LEU A 64 -3.603 -2.810 -15.515 1.00 13.20 H new ATOM 0 HB2 LEU A 64 -3.743 -2.222 -18.448 1.00 53.03 H new ATOM 0 HB3 LEU A 64 -3.324 -3.856 -17.974 1.00 53.03 H new ATOM 0 HG LEU A 64 -5.446 -3.831 -16.537 1.00 20.41 H new ATOM 0 HD11 LEU A 64 -7.200 -2.265 -17.268 1.00 52.52 H new ATOM 0 HD12 LEU A 64 -5.817 -1.415 -16.541 1.00 52.52 H new ATOM 0 HD13 LEU A 64 -6.019 -1.435 -18.309 1.00 52.52 H new ATOM 0 HD21 LEU A 64 -6.867 -4.392 -18.472 1.00 33.03 H new ATOM 0 HD22 LEU A 64 -5.672 -3.647 -19.560 1.00 33.03 H new ATOM 0 HD23 LEU A 64 -5.240 -5.096 -18.622 1.00 33.03 H new ATOM 990 N TRP A 65 -0.787 -1.988 -16.898 1.00 43.24 N ATOM 991 CA TRP A 65 0.638 -2.293 -16.957 1.00 44.22 C ATOM 992 C TRP A 65 1.163 -2.708 -15.587 1.00 43.32 C ATOM 993 O TRP A 65 1.980 -3.621 -15.476 1.00 60.41 O ATOM 994 CB TRP A 65 1.419 -1.082 -17.471 1.00 62.22 C ATOM 995 CG TRP A 65 2.906 -1.259 -17.398 1.00 33.40 C ATOM 996 CD1 TRP A 65 3.602 -2.422 -17.566 1.00 73.35 C ATOM 997 CD2 TRP A 65 3.878 -0.242 -17.135 1.00 41.03 C ATOM 998 NE1 TRP A 65 4.948 -2.189 -17.424 1.00 63.03 N ATOM 999 CE2 TRP A 65 5.144 -0.859 -17.160 1.00 61.32 C ATOM 1000 CE3 TRP A 65 3.803 1.131 -16.884 1.00 30.55 C ATOM 1001 CZ2 TRP A 65 6.322 -0.150 -16.942 1.00 21.04 C ATOM 1002 CZ3 TRP A 65 4.973 1.833 -16.666 1.00 61.14 C ATOM 1003 CH2 TRP A 65 6.219 1.192 -16.697 1.00 50.43 C ATOM 0 H TRP A 65 -1.036 -1.065 -17.255 1.00 43.24 H new ATOM 0 HA TRP A 65 0.778 -3.126 -17.646 1.00 44.22 H new ATOM 0 HB2 TRP A 65 1.134 -0.887 -18.505 1.00 62.22 H new ATOM 0 HB3 TRP A 65 1.136 -0.203 -16.891 1.00 62.22 H new ATOM 0 HD1 TRP A 65 3.159 -3.384 -17.779 1.00 73.35 H new ATOM 0 HE1 TRP A 65 5.683 -2.892 -17.502 1.00 63.03 H new ATOM 0 HE3 TRP A 65 2.848 1.634 -16.861 1.00 30.55 H new ATOM 0 HZ2 TRP A 65 7.283 -0.642 -16.965 1.00 21.04 H new ATOM 0 HZ3 TRP A 65 4.927 2.894 -16.468 1.00 61.14 H new ATOM 0 HH2 TRP A 65 7.116 1.769 -16.524 1.00 50.43 H new ATOM 1014 N ALA A 66 0.689 -2.031 -14.547 1.00 10.44 N ATOM 1015 CA ALA A 66 1.109 -2.331 -13.184 1.00 24.23 C ATOM 1016 C ALA A 66 0.845 -3.793 -12.838 1.00 4.45 C ATOM 1017 O ALA A 66 1.560 -4.388 -12.032 1.00 24.54 O ATOM 1018 CB ALA A 66 0.398 -1.416 -12.198 1.00 32.40 C ATOM 0 H ALA A 66 0.013 -1.271 -14.622 1.00 10.44 H new ATOM 0 HA ALA A 66 2.183 -2.156 -13.114 1.00 24.23 H new ATOM 0 HB1 ALA A 66 0.722 -1.652 -11.184 1.00 32.40 H new ATOM 0 HB2 ALA A 66 0.641 -0.378 -12.424 1.00 32.40 H new ATOM 0 HB3 ALA A 66 -0.679 -1.562 -12.278 1.00 32.40 H new ATOM 1024 N ASP A 67 -0.185 -4.364 -13.451 1.00 33.04 N ATOM 1025 CA ASP A 67 -0.543 -5.757 -13.207 1.00 55.43 C ATOM 1026 C ASP A 67 0.436 -6.699 -13.900 1.00 41.32 C ATOM 1027 O ASP A 67 0.703 -7.797 -13.415 1.00 22.42 O ATOM 1028 CB ASP A 67 -1.967 -6.032 -13.695 1.00 2.02 C ATOM 1029 CG ASP A 67 -2.404 -7.459 -13.427 1.00 55.42 C ATOM 1030 OD1 ASP A 67 -2.247 -7.922 -12.278 1.00 72.31 O ATOM 1031 OD2 ASP A 67 -2.905 -8.111 -14.367 1.00 31.24 O ATOM 0 H ASP A 67 -0.787 -3.885 -14.120 1.00 33.04 H new ATOM 0 HA ASP A 67 -0.494 -5.937 -12.133 1.00 55.43 H new ATOM 0 HB2 ASP A 67 -2.656 -5.345 -13.203 1.00 2.02 H new ATOM 0 HB3 ASP A 67 -2.027 -5.831 -14.765 1.00 2.02 H new ATOM 1036 N GLU A 68 0.967 -6.261 -15.038 1.00 13.44 N ATOM 1037 CA GLU A 68 1.915 -7.067 -15.798 1.00 0.54 C ATOM 1038 C GLU A 68 3.112 -7.455 -14.935 1.00 63.51 C ATOM 1039 O GLU A 68 3.695 -8.526 -15.109 1.00 0.14 O ATOM 1040 CB GLU A 68 2.391 -6.303 -17.035 1.00 53.41 C ATOM 1041 CG GLU A 68 1.281 -6.003 -18.029 1.00 42.21 C ATOM 1042 CD GLU A 68 1.802 -5.780 -19.436 1.00 24.54 C ATOM 1043 OE1 GLU A 68 2.444 -6.702 -19.983 1.00 34.35 O ATOM 1044 OE2 GLU A 68 1.570 -4.686 -19.989 1.00 53.31 O ATOM 0 H GLU A 68 0.757 -5.353 -15.453 1.00 13.44 H new ATOM 0 HA GLU A 68 1.407 -7.977 -16.116 1.00 0.54 H new ATOM 0 HB2 GLU A 68 2.848 -5.365 -16.719 1.00 53.41 H new ATOM 0 HB3 GLU A 68 3.167 -6.883 -17.534 1.00 53.41 H new ATOM 0 HG2 GLU A 68 0.571 -6.830 -18.035 1.00 42.21 H new ATOM 0 HG3 GLU A 68 0.736 -5.117 -17.703 1.00 42.21 H new ATOM 1051 N VAL A 69 3.474 -6.577 -14.005 1.00 63.50 N ATOM 1052 CA VAL A 69 4.601 -6.828 -13.115 1.00 24.04 C ATOM 1053 C VAL A 69 4.229 -7.827 -12.025 1.00 23.30 C ATOM 1054 O VAL A 69 4.972 -8.771 -11.754 1.00 41.11 O ATOM 1055 CB VAL A 69 5.096 -5.527 -12.455 1.00 51.24 C ATOM 1056 CG1 VAL A 69 6.292 -5.804 -11.558 1.00 44.20 C ATOM 1057 CG2 VAL A 69 5.442 -4.491 -13.515 1.00 30.51 C ATOM 0 H VAL A 69 3.003 -5.686 -13.848 1.00 63.50 H new ATOM 0 HA VAL A 69 5.401 -7.244 -13.728 1.00 24.04 H new ATOM 0 HB VAL A 69 4.294 -5.126 -11.835 1.00 51.24 H new ATOM 0 HG11 VAL A 69 6.627 -4.873 -11.101 1.00 44.20 H new ATOM 0 HG12 VAL A 69 6.006 -6.509 -10.778 1.00 44.20 H new ATOM 0 HG13 VAL A 69 7.101 -6.229 -12.152 1.00 44.20 H new ATOM 0 HG21 VAL A 69 5.790 -3.578 -13.032 1.00 30.51 H new ATOM 0 HG22 VAL A 69 6.228 -4.881 -14.162 1.00 30.51 H new ATOM 0 HG23 VAL A 69 4.557 -4.271 -14.111 1.00 30.51 H new ATOM 1067 N ARG A 70 3.074 -7.614 -11.403 1.00 43.42 N ATOM 1068 CA ARG A 70 2.603 -8.495 -10.342 1.00 25.40 C ATOM 1069 C ARG A 70 2.364 -9.906 -10.873 1.00 5.20 C ATOM 1070 O ARG A 70 2.888 -10.879 -10.333 1.00 23.34 O ATOM 1071 CB ARG A 70 1.315 -7.945 -9.727 1.00 23.52 C ATOM 1072 CG ARG A 70 1.428 -6.500 -9.269 1.00 34.51 C ATOM 1073 CD ARG A 70 1.378 -6.391 -7.753 1.00 21.10 C ATOM 1074 NE ARG A 70 0.074 -6.775 -7.219 1.00 23.33 N ATOM 1075 CZ ARG A 70 -0.338 -6.466 -5.994 1.00 73.25 C ATOM 1076 NH1 ARG A 70 0.447 -5.772 -5.182 1.00 55.34 N ATOM 1077 NH2 ARG A 70 -1.539 -6.852 -5.581 1.00 3.34 N ATOM 0 H ARG A 70 2.447 -6.838 -11.616 1.00 43.42 H new ATOM 0 HA ARG A 70 3.374 -8.540 -9.573 1.00 25.40 H new ATOM 0 HB2 ARG A 70 0.511 -8.024 -10.458 1.00 23.52 H new ATOM 0 HB3 ARG A 70 1.034 -8.566 -8.876 1.00 23.52 H new ATOM 0 HG2 ARG A 70 2.362 -6.073 -9.635 1.00 34.51 H new ATOM 0 HG3 ARG A 70 0.618 -5.915 -9.704 1.00 34.51 H new ATOM 0 HD2 ARG A 70 2.149 -7.027 -7.318 1.00 21.10 H new ATOM 0 HD3 ARG A 70 1.604 -5.367 -7.456 1.00 21.10 H new ATOM 0 HE ARG A 70 -0.555 -7.309 -7.819 1.00 23.33 H new ATOM 0 HH11 ARG A 70 1.370 -5.474 -5.497 1.00 55.34 H new ATOM 0 HH12 ARG A 70 0.128 -5.536 -4.242 1.00 55.34 H new ATOM 0 HH21 ARG A 70 -2.145 -7.386 -6.204 1.00 3.34 H new ATOM 0 HH22 ARG A 70 -1.856 -6.615 -4.641 1.00 3.34 H new ATOM 1091 N GLU A 71 1.570 -10.006 -11.934 1.00 33.51 N ATOM 1092 CA GLU A 71 1.261 -11.298 -12.536 1.00 52.03 C ATOM 1093 C GLU A 71 2.538 -12.068 -12.858 1.00 45.45 C ATOM 1094 O GLU A 71 2.568 -13.297 -12.796 1.00 64.54 O ATOM 1095 CB GLU A 71 0.433 -11.107 -13.809 1.00 33.23 C ATOM 1096 CG GLU A 71 1.245 -10.619 -14.996 1.00 62.02 C ATOM 1097 CD GLU A 71 1.738 -11.754 -15.872 1.00 71.44 C ATOM 1098 OE1 GLU A 71 0.927 -12.300 -16.649 1.00 72.12 O ATOM 1099 OE2 GLU A 71 2.936 -12.097 -15.781 1.00 15.22 O ATOM 0 H GLU A 71 1.129 -9.209 -12.394 1.00 33.51 H new ATOM 0 HA GLU A 71 0.681 -11.876 -11.816 1.00 52.03 H new ATOM 0 HB2 GLU A 71 -0.042 -12.053 -14.069 1.00 33.23 H new ATOM 0 HB3 GLU A 71 -0.366 -10.394 -13.609 1.00 33.23 H new ATOM 0 HG2 GLU A 71 0.636 -9.942 -15.594 1.00 62.02 H new ATOM 0 HG3 GLU A 71 2.099 -10.046 -14.636 1.00 62.02 H new ATOM 1106 N LEU A 72 3.592 -11.335 -13.203 1.00 71.52 N ATOM 1107 CA LEU A 72 4.873 -11.948 -13.536 1.00 44.11 C ATOM 1108 C LEU A 72 5.488 -12.623 -12.314 1.00 72.53 C ATOM 1109 O LEU A 72 6.186 -13.630 -12.435 1.00 33.34 O ATOM 1110 CB LEU A 72 5.836 -10.895 -14.089 1.00 32.21 C ATOM 1111 CG LEU A 72 6.675 -11.320 -15.294 1.00 60.24 C ATOM 1112 CD1 LEU A 72 7.347 -12.659 -15.032 1.00 33.11 C ATOM 1113 CD2 LEU A 72 5.813 -11.390 -16.546 1.00 72.24 C ATOM 0 H LEU A 72 3.584 -10.317 -13.259 1.00 71.52 H new ATOM 0 HA LEU A 72 4.697 -12.707 -14.298 1.00 44.11 H new ATOM 0 HB2 LEU A 72 5.258 -10.013 -14.367 1.00 32.21 H new ATOM 0 HB3 LEU A 72 6.512 -10.594 -13.289 1.00 32.21 H new ATOM 0 HG LEU A 72 7.452 -10.572 -15.453 1.00 60.24 H new ATOM 0 HD11 LEU A 72 7.940 -12.945 -15.901 1.00 33.11 H new ATOM 0 HD12 LEU A 72 7.997 -12.576 -14.161 1.00 33.11 H new ATOM 0 HD13 LEU A 72 6.587 -13.418 -14.846 1.00 33.11 H new ATOM 0 HD21 LEU A 72 6.427 -11.694 -17.394 1.00 72.24 H new ATOM 0 HD22 LEU A 72 5.014 -12.116 -16.397 1.00 72.24 H new ATOM 0 HD23 LEU A 72 5.380 -10.410 -16.745 1.00 72.24 H new ATOM 1125 N SER A 73 5.222 -12.064 -11.139 1.00 13.45 N ATOM 1126 CA SER A 73 5.750 -12.611 -9.894 1.00 53.13 C ATOM 1127 C SER A 73 5.414 -14.094 -9.767 1.00 52.34 C ATOM 1128 O SER A 73 6.147 -14.856 -9.137 1.00 13.14 O ATOM 1129 CB SER A 73 5.187 -11.844 -8.696 1.00 32.41 C ATOM 1130 OG SER A 73 3.902 -12.325 -8.341 1.00 54.23 O ATOM 0 H SER A 73 4.644 -11.232 -11.022 1.00 13.45 H new ATOM 0 HA SER A 73 6.834 -12.502 -9.909 1.00 53.13 H new ATOM 0 HB2 SER A 73 5.863 -11.943 -7.847 1.00 32.41 H new ATOM 0 HB3 SER A 73 5.128 -10.782 -8.935 1.00 32.41 H new ATOM 0 HG SER A 73 3.229 -11.929 -8.934 1.00 54.23 H new ATOM 1136 N TYR A 74 4.301 -14.495 -10.371 1.00 71.31 N ATOM 1137 CA TYR A 74 3.865 -15.886 -10.324 1.00 42.04 C ATOM 1138 C TYR A 74 4.939 -16.813 -10.886 1.00 41.54 C ATOM 1139 O TYR A 74 5.235 -17.860 -10.312 1.00 32.24 O ATOM 1140 CB TYR A 74 2.563 -16.061 -11.108 1.00 65.14 C ATOM 1141 CG TYR A 74 1.803 -17.317 -10.746 1.00 52.44 C ATOM 1142 CD1 TYR A 74 1.555 -17.643 -9.419 1.00 34.42 C ATOM 1143 CD2 TYR A 74 1.333 -18.177 -11.731 1.00 41.43 C ATOM 1144 CE1 TYR A 74 0.861 -18.790 -9.083 1.00 13.20 C ATOM 1145 CE2 TYR A 74 0.637 -19.324 -11.405 1.00 20.21 C ATOM 1146 CZ TYR A 74 0.404 -19.627 -10.080 1.00 15.44 C ATOM 1147 OH TYR A 74 -0.288 -20.770 -9.750 1.00 53.33 O ATOM 0 H TYR A 74 3.684 -13.877 -10.899 1.00 71.31 H new ATOM 0 HA TYR A 74 3.692 -16.151 -9.281 1.00 42.04 H new ATOM 0 HB2 TYR A 74 1.924 -15.196 -10.932 1.00 65.14 H new ATOM 0 HB3 TYR A 74 2.790 -16.078 -12.174 1.00 65.14 H new ATOM 0 HD1 TYR A 74 1.910 -16.989 -8.636 1.00 34.42 H new ATOM 0 HD2 TYR A 74 1.515 -17.944 -12.770 1.00 41.43 H new ATOM 0 HE1 TYR A 74 0.678 -19.030 -8.046 1.00 13.20 H new ATOM 0 HE2 TYR A 74 0.277 -19.980 -12.183 1.00 20.21 H new ATOM 0 HH TYR A 74 -0.540 -21.247 -10.568 1.00 53.33 H new ATOM 1157 N VAL A 75 5.521 -16.418 -12.015 1.00 15.12 N ATOM 1158 CA VAL A 75 6.563 -17.210 -12.655 1.00 62.54 C ATOM 1159 C VAL A 75 7.705 -17.501 -11.688 1.00 41.00 C ATOM 1160 O VAL A 75 8.367 -18.535 -11.786 1.00 1.30 O ATOM 1161 CB VAL A 75 7.127 -16.497 -13.898 1.00 51.34 C ATOM 1162 CG1 VAL A 75 8.104 -17.400 -14.636 1.00 14.00 C ATOM 1163 CG2 VAL A 75 5.997 -16.056 -14.817 1.00 45.02 C ATOM 0 H VAL A 75 5.288 -15.554 -12.504 1.00 15.12 H new ATOM 0 HA VAL A 75 6.102 -18.149 -12.962 1.00 62.54 H new ATOM 0 HB VAL A 75 7.668 -15.609 -13.571 1.00 51.34 H new ATOM 0 HG11 VAL A 75 8.492 -16.878 -15.511 1.00 14.00 H new ATOM 0 HG12 VAL A 75 8.930 -17.661 -13.974 1.00 14.00 H new ATOM 0 HG13 VAL A 75 7.592 -18.309 -14.952 1.00 14.00 H new ATOM 0 HG21 VAL A 75 6.413 -15.554 -15.690 1.00 45.02 H new ATOM 0 HG22 VAL A 75 5.427 -16.928 -15.137 1.00 45.02 H new ATOM 0 HG23 VAL A 75 5.340 -15.370 -14.283 1.00 45.02 H new ATOM 1173 N ILE A 76 7.930 -16.583 -10.754 1.00 41.13 N ATOM 1174 CA ILE A 76 8.991 -16.741 -9.768 1.00 23.53 C ATOM 1175 C ILE A 76 8.759 -17.977 -8.904 1.00 41.33 C ATOM 1176 O ILE A 76 9.708 -18.607 -8.438 1.00 75.14 O ATOM 1177 CB ILE A 76 9.102 -15.505 -8.856 1.00 71.11 C ATOM 1178 CG1 ILE A 76 9.262 -14.237 -9.697 1.00 41.01 C ATOM 1179 CG2 ILE A 76 10.270 -15.660 -7.893 1.00 53.33 C ATOM 1180 CD1 ILE A 76 9.179 -12.961 -8.889 1.00 32.23 C ATOM 0 H ILE A 76 7.391 -15.722 -10.660 1.00 41.13 H new ATOM 0 HA ILE A 76 9.922 -16.857 -10.323 1.00 23.53 H new ATOM 0 HB ILE A 76 8.185 -15.418 -8.273 1.00 71.11 H new ATOM 0 HG12 ILE A 76 10.223 -14.270 -10.211 1.00 41.01 H new ATOM 0 HG13 ILE A 76 8.490 -14.221 -10.466 1.00 41.01 H new ATOM 0 HG21 ILE A 76 10.335 -14.778 -7.255 1.00 53.33 H new ATOM 0 HG22 ILE A 76 10.117 -16.545 -7.275 1.00 53.33 H new ATOM 0 HG23 ILE A 76 11.196 -15.768 -8.458 1.00 53.33 H new ATOM 0 HD11 ILE A 76 9.301 -12.103 -9.550 1.00 32.23 H new ATOM 0 HD12 ILE A 76 8.208 -12.905 -8.397 1.00 32.23 H new ATOM 0 HD13 ILE A 76 9.968 -12.955 -8.137 1.00 32.23 H new ATOM 1192 N GLU A 77 7.491 -18.317 -8.697 1.00 31.21 N ATOM 1193 CA GLU A 77 7.135 -19.478 -7.890 1.00 35.30 C ATOM 1194 C GLU A 77 7.894 -20.717 -8.354 1.00 65.53 C ATOM 1195 O GLU A 77 8.264 -21.570 -7.547 1.00 64.54 O ATOM 1196 CB GLU A 77 5.628 -19.734 -7.962 1.00 34.02 C ATOM 1197 CG GLU A 77 4.790 -18.594 -7.407 1.00 73.15 C ATOM 1198 CD GLU A 77 5.000 -18.385 -5.920 1.00 42.14 C ATOM 1199 OE1 GLU A 77 6.053 -17.828 -5.543 1.00 55.35 O ATOM 1200 OE2 GLU A 77 4.114 -18.778 -5.134 1.00 33.20 O ATOM 0 H GLU A 77 6.694 -17.806 -9.076 1.00 31.21 H new ATOM 0 HA GLU A 77 7.412 -19.269 -6.857 1.00 35.30 H new ATOM 0 HB2 GLU A 77 5.347 -19.908 -9.001 1.00 34.02 H new ATOM 0 HB3 GLU A 77 5.396 -20.646 -7.412 1.00 34.02 H new ATOM 0 HG2 GLU A 77 5.037 -17.675 -7.938 1.00 73.15 H new ATOM 0 HG3 GLU A 77 3.736 -18.797 -7.596 1.00 73.15 H new ATOM 1207 N ASP A 78 8.123 -20.809 -9.660 1.00 31.33 N ATOM 1208 CA ASP A 78 8.839 -21.943 -10.233 1.00 32.23 C ATOM 1209 C ASP A 78 10.264 -22.015 -9.693 1.00 33.33 C ATOM 1210 O ASP A 78 10.793 -23.100 -9.453 1.00 61.13 O ATOM 1211 CB ASP A 78 8.863 -21.840 -11.759 1.00 21.05 C ATOM 1212 CG ASP A 78 9.139 -23.174 -12.425 1.00 3.44 C ATOM 1213 OD1 ASP A 78 10.056 -23.887 -11.967 1.00 24.33 O ATOM 1214 OD2 ASP A 78 8.438 -23.504 -13.403 1.00 72.03 O ATOM 0 H ASP A 78 7.823 -20.112 -10.341 1.00 31.33 H new ATOM 0 HA ASP A 78 8.315 -22.855 -9.946 1.00 32.23 H new ATOM 0 HB2 ASP A 78 7.906 -21.453 -12.109 1.00 21.05 H new ATOM 0 HB3 ASP A 78 9.626 -21.122 -12.060 1.00 21.05 H new ATOM 1219 N ALA A 79 10.879 -20.853 -9.504 1.00 42.53 N ATOM 1220 CA ALA A 79 12.242 -20.784 -8.992 1.00 1.21 C ATOM 1221 C ALA A 79 12.376 -21.555 -7.684 1.00 22.45 C ATOM 1222 O ALA A 79 13.268 -22.390 -7.532 1.00 5.01 O ATOM 1223 CB ALA A 79 12.660 -19.334 -8.797 1.00 42.11 C ATOM 0 H ALA A 79 10.455 -19.946 -9.698 1.00 42.53 H new ATOM 0 HA ALA A 79 12.903 -21.246 -9.725 1.00 1.21 H new ATOM 0 HB1 ALA A 79 13.680 -19.298 -8.414 1.00 42.11 H new ATOM 0 HB2 ALA A 79 12.612 -18.810 -9.752 1.00 42.11 H new ATOM 0 HB3 ALA A 79 11.988 -18.854 -8.085 1.00 42.11 H new ATOM 1229 N VAL A 80 11.484 -21.271 -6.740 1.00 3.32 N ATOM 1230 CA VAL A 80 11.503 -21.938 -5.444 1.00 21.52 C ATOM 1231 C VAL A 80 10.950 -23.356 -5.548 1.00 5.54 C ATOM 1232 O VAL A 80 11.305 -24.230 -4.757 1.00 75.41 O ATOM 1233 CB VAL A 80 10.687 -21.156 -4.398 1.00 31.34 C ATOM 1234 CG1 VAL A 80 11.349 -19.821 -4.093 1.00 31.20 C ATOM 1235 CG2 VAL A 80 9.258 -20.955 -4.879 1.00 41.32 C ATOM 0 H VAL A 80 10.739 -20.583 -6.849 1.00 3.32 H new ATOM 0 HA VAL A 80 12.544 -21.979 -5.124 1.00 21.52 H new ATOM 0 HB VAL A 80 10.657 -21.738 -3.477 1.00 31.34 H new ATOM 0 HG11 VAL A 80 10.758 -19.283 -3.352 1.00 31.20 H new ATOM 0 HG12 VAL A 80 12.352 -19.993 -3.702 1.00 31.20 H new ATOM 0 HG13 VAL A 80 11.412 -19.229 -5.006 1.00 31.20 H new ATOM 0 HG21 VAL A 80 8.696 -20.401 -4.128 1.00 41.32 H new ATOM 0 HG22 VAL A 80 9.264 -20.395 -5.814 1.00 41.32 H new ATOM 0 HG23 VAL A 80 8.789 -21.925 -5.041 1.00 41.32 H new ATOM 1245 N ASP A 81 10.081 -23.575 -6.528 1.00 22.12 N ATOM 1246 CA ASP A 81 9.480 -24.887 -6.737 1.00 31.11 C ATOM 1247 C ASP A 81 10.551 -25.937 -7.016 1.00 74.32 C ATOM 1248 O ASP A 81 10.413 -27.098 -6.630 1.00 30.21 O ATOM 1249 CB ASP A 81 8.483 -24.836 -7.896 1.00 23.20 C ATOM 1250 CG ASP A 81 7.542 -26.024 -7.903 1.00 33.35 C ATOM 1251 OD1 ASP A 81 7.726 -26.931 -7.064 1.00 74.22 O ATOM 1252 OD2 ASP A 81 6.621 -26.048 -8.747 1.00 2.25 O ATOM 0 H ASP A 81 9.777 -22.861 -7.190 1.00 22.12 H new ATOM 0 HA ASP A 81 8.951 -25.167 -5.826 1.00 31.11 H new ATOM 0 HB2 ASP A 81 7.902 -23.916 -7.831 1.00 23.20 H new ATOM 0 HB3 ASP A 81 9.028 -24.803 -8.839 1.00 23.20 H new ATOM 1257 N LYS A 82 11.617 -25.522 -7.691 1.00 24.21 N ATOM 1258 CA LYS A 82 12.713 -26.426 -8.023 1.00 13.34 C ATOM 1259 C LYS A 82 13.258 -27.103 -6.769 1.00 43.53 C ATOM 1260 O LYS A 82 13.515 -28.307 -6.764 1.00 4.41 O ATOM 1261 CB LYS A 82 13.834 -25.663 -8.732 1.00 54.50 C ATOM 1262 CG LYS A 82 13.425 -25.098 -10.082 1.00 25.22 C ATOM 1263 CD LYS A 82 13.233 -26.199 -11.111 1.00 42.04 C ATOM 1264 CE LYS A 82 14.566 -26.707 -11.639 1.00 60.25 C ATOM 1265 NZ LYS A 82 15.134 -25.801 -12.676 1.00 31.11 N ATOM 0 H LYS A 82 11.746 -24.565 -8.019 1.00 24.21 H new ATOM 0 HA LYS A 82 12.327 -27.195 -8.692 1.00 13.34 H new ATOM 0 HB2 LYS A 82 14.168 -24.847 -8.092 1.00 54.50 H new ATOM 0 HB3 LYS A 82 14.686 -26.329 -8.869 1.00 54.50 H new ATOM 0 HG2 LYS A 82 12.499 -24.532 -9.976 1.00 25.22 H new ATOM 0 HG3 LYS A 82 14.186 -24.401 -10.432 1.00 25.22 H new ATOM 0 HD2 LYS A 82 12.679 -27.024 -10.663 1.00 42.04 H new ATOM 0 HD3 LYS A 82 12.632 -25.824 -11.939 1.00 42.04 H new ATOM 0 HE2 LYS A 82 15.271 -26.801 -10.813 1.00 60.25 H new ATOM 0 HE3 LYS A 82 14.434 -27.703 -12.060 1.00 60.25 H new ATOM 0 HZ1 LYS A 82 15.647 -26.363 -13.385 1.00 31.11 H new ATOM 0 HZ2 LYS A 82 14.364 -25.279 -13.140 1.00 31.11 H new ATOM 0 HZ3 LYS A 82 15.788 -25.128 -12.228 1.00 31.11 H new ATOM 1279 N PHE A 83 13.432 -26.321 -5.708 1.00 74.43 N ATOM 1280 CA PHE A 83 13.946 -26.846 -4.449 1.00 2.13 C ATOM 1281 C PHE A 83 13.085 -28.002 -3.948 1.00 52.24 C ATOM 1282 O PHE A 83 13.585 -28.941 -3.328 1.00 61.01 O ATOM 1283 CB PHE A 83 13.997 -25.739 -3.394 1.00 11.04 C ATOM 1284 CG PHE A 83 15.035 -25.969 -2.333 1.00 1.02 C ATOM 1285 CD1 PHE A 83 16.383 -25.972 -2.653 1.00 61.04 C ATOM 1286 CD2 PHE A 83 14.663 -26.182 -1.015 1.00 42.42 C ATOM 1287 CE1 PHE A 83 17.340 -26.184 -1.679 1.00 63.33 C ATOM 1288 CE2 PHE A 83 15.616 -26.394 -0.037 1.00 0.03 C ATOM 1289 CZ PHE A 83 16.956 -26.394 -0.369 1.00 65.32 C ATOM 0 H PHE A 83 13.225 -25.322 -5.696 1.00 74.43 H new ATOM 0 HA PHE A 83 14.955 -27.218 -4.625 1.00 2.13 H new ATOM 0 HB2 PHE A 83 14.197 -24.788 -3.887 1.00 11.04 H new ATOM 0 HB3 PHE A 83 13.019 -25.653 -2.921 1.00 11.04 H new ATOM 0 HD1 PHE A 83 16.689 -25.807 -3.675 1.00 61.04 H new ATOM 0 HD2 PHE A 83 13.616 -26.182 -0.749 1.00 42.42 H new ATOM 0 HE1 PHE A 83 18.388 -26.185 -1.942 1.00 63.33 H new ATOM 0 HE2 PHE A 83 15.313 -26.560 0.986 1.00 0.03 H new ATOM 0 HZ PHE A 83 17.703 -26.558 0.394 1.00 65.32 H new ATOM 1299 N LEU A 84 11.787 -27.926 -4.222 1.00 0.22 N ATOM 1300 CA LEU A 84 10.854 -28.965 -3.800 1.00 1.23 C ATOM 1301 C LEU A 84 10.986 -30.205 -4.678 1.00 51.33 C ATOM 1302 O LEU A 84 10.766 -31.327 -4.223 1.00 73.23 O ATOM 1303 CB LEU A 84 9.418 -28.440 -3.851 1.00 2.13 C ATOM 1304 CG LEU A 84 9.150 -27.144 -3.085 1.00 53.22 C ATOM 1305 CD1 LEU A 84 7.842 -26.515 -3.542 1.00 24.12 C ATOM 1306 CD2 LEU A 84 9.123 -27.406 -1.586 1.00 51.53 C ATOM 0 H LEU A 84 11.357 -27.156 -4.734 1.00 0.22 H new ATOM 0 HA LEU A 84 11.097 -29.242 -2.774 1.00 1.23 H new ATOM 0 HB2 LEU A 84 9.146 -28.284 -4.895 1.00 2.13 H new ATOM 0 HB3 LEU A 84 8.756 -29.213 -3.461 1.00 2.13 H new ATOM 0 HG LEU A 84 9.959 -26.445 -3.297 1.00 53.22 H new ATOM 0 HD11 LEU A 84 7.668 -25.594 -2.986 1.00 24.12 H new ATOM 0 HD12 LEU A 84 7.899 -26.291 -4.607 1.00 24.12 H new ATOM 0 HD13 LEU A 84 7.021 -27.209 -3.360 1.00 24.12 H new ATOM 0 HD21 LEU A 84 8.931 -26.473 -1.057 1.00 51.53 H new ATOM 0 HD22 LEU A 84 8.334 -28.122 -1.356 1.00 51.53 H new ATOM 0 HD23 LEU A 84 10.084 -27.811 -1.270 1.00 51.53 H new ATOM 1318 N VAL A 85 11.349 -29.994 -5.940 1.00 31.14 N ATOM 1319 CA VAL A 85 11.514 -31.095 -6.882 1.00 13.44 C ATOM 1320 C VAL A 85 12.739 -31.934 -6.537 1.00 51.12 C ATOM 1321 O VAL A 85 12.713 -33.160 -6.642 1.00 21.33 O ATOM 1322 CB VAL A 85 11.647 -30.581 -8.327 1.00 42.44 C ATOM 1323 CG1 VAL A 85 11.687 -31.744 -9.306 1.00 73.14 C ATOM 1324 CG2 VAL A 85 10.507 -29.630 -8.662 1.00 24.22 C ATOM 0 H VAL A 85 11.534 -29.071 -6.333 1.00 31.14 H new ATOM 0 HA VAL A 85 10.620 -31.714 -6.806 1.00 13.44 H new ATOM 0 HB VAL A 85 12.585 -30.032 -8.414 1.00 42.44 H new ATOM 0 HG11 VAL A 85 11.781 -31.361 -10.322 1.00 73.14 H new ATOM 0 HG12 VAL A 85 12.541 -32.382 -9.078 1.00 73.14 H new ATOM 0 HG13 VAL A 85 10.768 -32.323 -9.220 1.00 73.14 H new ATOM 0 HG21 VAL A 85 10.617 -29.277 -9.687 1.00 24.22 H new ATOM 0 HG22 VAL A 85 9.556 -30.152 -8.558 1.00 24.22 H new ATOM 0 HG23 VAL A 85 10.530 -28.780 -7.981 1.00 24.22 H new ATOM 1334 N ARG A 86 13.811 -31.265 -6.126 1.00 10.04 N ATOM 1335 CA ARG A 86 15.047 -31.949 -5.766 1.00 61.30 C ATOM 1336 C ARG A 86 14.827 -32.882 -4.579 1.00 34.03 C ATOM 1337 O ARG A 86 15.079 -34.084 -4.665 1.00 15.02 O ATOM 1338 CB ARG A 86 16.140 -30.932 -5.433 1.00 11.10 C ATOM 1339 CG ARG A 86 16.856 -30.384 -6.657 1.00 33.31 C ATOM 1340 CD ARG A 86 17.651 -31.468 -7.368 1.00 45.40 C ATOM 1341 NE ARG A 86 18.569 -32.155 -6.464 1.00 21.52 N ATOM 1342 CZ ARG A 86 19.231 -33.261 -6.789 1.00 13.42 C ATOM 1343 NH1 ARG A 86 19.077 -33.800 -7.990 1.00 43.23 N ATOM 1344 NH2 ARG A 86 20.048 -33.828 -5.911 1.00 62.32 N ATOM 0 H ARG A 86 13.849 -30.250 -6.034 1.00 10.04 H new ATOM 0 HA ARG A 86 15.364 -32.546 -6.621 1.00 61.30 H new ATOM 0 HB2 ARG A 86 15.697 -30.103 -4.880 1.00 11.10 H new ATOM 0 HB3 ARG A 86 16.871 -31.400 -4.774 1.00 11.10 H new ATOM 0 HG2 ARG A 86 16.127 -29.955 -7.345 1.00 33.31 H new ATOM 0 HG3 ARG A 86 17.525 -29.577 -6.358 1.00 33.31 H new ATOM 0 HD2 ARG A 86 16.965 -32.192 -7.807 1.00 45.40 H new ATOM 0 HD3 ARG A 86 18.215 -31.025 -8.189 1.00 45.40 H new ATOM 0 HE ARG A 86 18.710 -31.765 -5.532 1.00 21.52 H new ATOM 0 HH11 ARG A 86 18.450 -33.366 -8.667 1.00 43.23 H new ATOM 0 HH12 ARG A 86 19.586 -34.649 -8.237 1.00 43.23 H new ATOM 0 HH21 ARG A 86 20.168 -33.415 -4.986 1.00 62.32 H new ATOM 0 HH22 ARG A 86 20.556 -34.677 -6.161 1.00 62.32 H new ATOM 1358 N VAL A 87 14.355 -32.320 -3.470 1.00 50.44 N ATOM 1359 CA VAL A 87 14.100 -33.100 -2.266 1.00 31.32 C ATOM 1360 C VAL A 87 13.140 -34.251 -2.549 1.00 44.53 C ATOM 1361 O VAL A 87 13.156 -35.271 -1.860 1.00 43.00 O ATOM 1362 CB VAL A 87 13.516 -32.224 -1.142 1.00 55.21 C ATOM 1363 CG1 VAL A 87 14.519 -31.163 -0.715 1.00 70.33 C ATOM 1364 CG2 VAL A 87 12.210 -31.585 -1.590 1.00 51.51 C ATOM 0 H VAL A 87 14.142 -31.327 -3.381 1.00 50.44 H new ATOM 0 HA VAL A 87 15.060 -33.502 -1.941 1.00 31.32 H new ATOM 0 HB VAL A 87 13.307 -32.859 -0.281 1.00 55.21 H new ATOM 0 HG11 VAL A 87 14.088 -30.554 0.080 1.00 70.33 H new ATOM 0 HG12 VAL A 87 15.426 -31.645 -0.351 1.00 70.33 H new ATOM 0 HG13 VAL A 87 14.762 -30.528 -1.567 1.00 70.33 H new ATOM 0 HG21 VAL A 87 11.811 -30.969 -0.784 1.00 51.51 H new ATOM 0 HG22 VAL A 87 12.391 -30.963 -2.466 1.00 51.51 H new ATOM 0 HG23 VAL A 87 11.491 -32.365 -1.841 1.00 51.51 H new ATOM 1374 N HIS A 88 12.305 -34.079 -3.569 1.00 31.40 N ATOM 1375 CA HIS A 88 11.338 -35.104 -3.945 1.00 73.42 C ATOM 1376 C HIS A 88 12.043 -36.349 -4.474 1.00 65.24 C ATOM 1377 O HIS A 88 11.442 -37.417 -4.584 1.00 53.44 O ATOM 1378 CB HIS A 88 10.374 -34.563 -5.001 1.00 54.31 C ATOM 1379 CG HIS A 88 9.090 -35.330 -5.090 1.00 44.12 C ATOM 1380 ND1 HIS A 88 8.306 -35.355 -6.224 1.00 20.40 N ATOM 1381 CD2 HIS A 88 8.456 -36.104 -4.178 1.00 44.24 C ATOM 1382 CE1 HIS A 88 7.244 -36.110 -6.005 1.00 62.32 C ATOM 1383 NE2 HIS A 88 7.312 -36.577 -4.771 1.00 53.14 N ATOM 0 H HIS A 88 12.279 -33.241 -4.149 1.00 31.40 H new ATOM 0 HA HIS A 88 10.773 -35.379 -3.054 1.00 73.42 H new ATOM 0 HB2 HIS A 88 10.150 -33.520 -4.776 1.00 54.31 H new ATOM 0 HB3 HIS A 88 10.866 -34.581 -5.973 1.00 54.31 H new ATOM 0 HD2 HIS A 88 8.788 -36.311 -3.171 1.00 44.24 H new ATOM 0 HE1 HIS A 88 6.455 -36.311 -6.714 1.00 62.32 H new ATOM 0 HE2 HIS A 88 6.626 -37.190 -4.330 1.00 53.14 H new ATOM 1391 N GLY A 89 13.324 -36.204 -4.802 1.00 0.32 N ATOM 1392 CA GLY A 89 14.090 -37.324 -5.316 1.00 50.24 C ATOM 1393 C GLY A 89 14.086 -37.382 -6.831 1.00 74.01 C ATOM 1394 O GLY A 89 14.991 -37.952 -7.440 1.00 73.34 O ATOM 0 H GLY A 89 13.844 -35.331 -4.721 1.00 0.32 H new ATOM 0 HA2 GLY A 89 15.118 -37.251 -4.961 1.00 50.24 H new ATOM 0 HA3 GLY A 89 13.681 -38.253 -4.919 1.00 50.24 H new ATOM 1398 N VAL A 90 13.063 -36.792 -7.442 1.00 11.24 N ATOM 1399 CA VAL A 90 12.944 -36.779 -8.895 1.00 31.23 C ATOM 1400 C VAL A 90 14.028 -35.914 -9.527 1.00 70.15 C ATOM 1401 O VAL A 90 14.306 -34.810 -9.060 1.00 73.22 O ATOM 1402 CB VAL A 90 11.564 -36.261 -9.340 1.00 54.13 C ATOM 1403 CG1 VAL A 90 11.470 -36.227 -10.858 1.00 61.41 C ATOM 1404 CG2 VAL A 90 10.456 -37.119 -8.748 1.00 60.55 C ATOM 0 H VAL A 90 12.305 -36.317 -6.953 1.00 11.24 H new ATOM 0 HA VAL A 90 13.063 -37.809 -9.232 1.00 31.23 H new ATOM 0 HB VAL A 90 11.441 -35.243 -8.969 1.00 54.13 H new ATOM 0 HG11 VAL A 90 10.488 -35.858 -11.154 1.00 61.41 H new ATOM 0 HG12 VAL A 90 12.240 -35.566 -11.256 1.00 61.41 H new ATOM 0 HG13 VAL A 90 11.614 -37.232 -11.254 1.00 61.41 H new ATOM 0 HG21 VAL A 90 9.488 -36.738 -9.073 1.00 60.55 H new ATOM 0 HG22 VAL A 90 10.573 -38.149 -9.086 1.00 60.55 H new ATOM 0 HG23 VAL A 90 10.512 -37.086 -7.660 1.00 60.55 H new ATOM 1414 N GLU A 91 14.637 -36.424 -10.594 1.00 11.33 N ATOM 1415 CA GLU A 91 15.691 -35.697 -11.291 1.00 5.35 C ATOM 1416 C GLU A 91 15.237 -34.283 -11.641 1.00 42.25 C ATOM 1417 O GLU A 91 14.045 -33.994 -11.743 1.00 14.02 O ATOM 1418 CB GLU A 91 16.101 -36.443 -12.562 1.00 5.30 C ATOM 1419 CG GLU A 91 14.924 -36.959 -13.371 1.00 72.41 C ATOM 1420 CD GLU A 91 15.292 -37.257 -14.812 1.00 35.33 C ATOM 1421 OE1 GLU A 91 15.275 -36.317 -15.634 1.00 61.40 O ATOM 1422 OE2 GLU A 91 15.595 -38.429 -15.117 1.00 23.31 O ATOM 0 H GLU A 91 14.418 -37.337 -10.994 1.00 11.33 H new ATOM 0 HA GLU A 91 16.551 -35.629 -10.625 1.00 5.35 H new ATOM 0 HB2 GLU A 91 16.697 -35.778 -13.187 1.00 5.30 H new ATOM 0 HB3 GLU A 91 16.740 -37.283 -12.290 1.00 5.30 H new ATOM 0 HG2 GLU A 91 14.536 -37.865 -12.904 1.00 72.41 H new ATOM 0 HG3 GLU A 91 14.122 -36.221 -13.350 1.00 72.41 H new ATOM 1429 N PRO A 92 16.210 -33.379 -11.831 1.00 61.11 N ATOM 1430 CA PRO A 92 15.936 -31.980 -12.173 1.00 75.44 C ATOM 1431 C PRO A 92 15.383 -31.827 -13.586 1.00 62.14 C ATOM 1432 O PRO A 92 15.684 -32.629 -14.471 1.00 42.51 O ATOM 1433 CB PRO A 92 17.308 -31.312 -12.060 1.00 52.31 C ATOM 1434 CG PRO A 92 18.285 -32.412 -12.291 1.00 45.44 C ATOM 1435 CD PRO A 92 17.653 -33.653 -11.726 1.00 61.45 C ATOM 0 HA PRO A 92 15.179 -31.542 -11.523 1.00 75.44 H new ATOM 0 HB2 PRO A 92 17.424 -30.518 -12.798 1.00 52.31 H new ATOM 0 HB3 PRO A 92 17.448 -30.858 -11.079 1.00 52.31 H new ATOM 0 HG2 PRO A 92 18.495 -32.530 -13.354 1.00 45.44 H new ATOM 0 HG3 PRO A 92 19.235 -32.200 -11.800 1.00 45.44 H new ATOM 0 HD2 PRO A 92 17.936 -34.541 -12.291 1.00 61.45 H new ATOM 0 HD3 PRO A 92 17.956 -33.823 -10.693 1.00 61.45 H new ATOM 1443 N ASP A 93 14.575 -30.793 -13.791 1.00 75.34 N ATOM 1444 CA ASP A 93 13.981 -30.534 -15.098 1.00 62.11 C ATOM 1445 C ASP A 93 13.873 -29.035 -15.358 1.00 42.20 C ATOM 1446 O ASP A 93 13.163 -28.321 -14.649 1.00 61.41 O ATOM 1447 CB ASP A 93 12.599 -31.181 -15.192 1.00 34.44 C ATOM 1448 CG ASP A 93 12.245 -31.588 -16.608 1.00 75.25 C ATOM 1449 OD1 ASP A 93 12.962 -32.436 -17.180 1.00 22.03 O ATOM 1450 OD2 ASP A 93 11.249 -31.060 -17.146 1.00 2.41 O ATOM 0 H ASP A 93 14.316 -30.120 -13.069 1.00 75.34 H new ATOM 0 HA ASP A 93 14.630 -30.971 -15.857 1.00 62.11 H new ATOM 0 HB2 ASP A 93 12.567 -32.059 -14.546 1.00 34.44 H new ATOM 0 HB3 ASP A 93 11.849 -30.484 -14.819 1.00 34.44 H new ATOM 1455 N ASP A 94 14.583 -28.564 -16.378 1.00 14.24 N ATOM 1456 CA ASP A 94 14.567 -27.149 -16.731 1.00 73.14 C ATOM 1457 C ASP A 94 13.758 -26.916 -18.003 1.00 74.25 C ATOM 1458 O ASP A 94 13.214 -25.833 -18.215 1.00 63.04 O ATOM 1459 CB ASP A 94 15.994 -26.632 -16.918 1.00 70.11 C ATOM 1460 CG ASP A 94 16.957 -27.211 -15.900 1.00 41.51 C ATOM 1461 OD1 ASP A 94 16.557 -27.367 -14.728 1.00 2.23 O ATOM 1462 OD2 ASP A 94 18.111 -27.506 -16.276 1.00 21.23 O ATOM 0 H ASP A 94 15.176 -29.141 -16.974 1.00 14.24 H new ATOM 0 HA ASP A 94 14.094 -26.602 -15.915 1.00 73.14 H new ATOM 0 HB2 ASP A 94 16.339 -26.880 -17.922 1.00 70.11 H new ATOM 0 HB3 ASP A 94 15.997 -25.545 -16.839 1.00 70.11 H new ATOM 1467 N ASN A 95 13.683 -27.940 -18.847 1.00 62.43 N ATOM 1468 CA ASN A 95 12.942 -27.847 -20.100 1.00 12.53 C ATOM 1469 C ASN A 95 11.480 -27.494 -19.841 1.00 61.14 C ATOM 1470 O ASN A 95 10.923 -26.599 -20.478 1.00 61.24 O ATOM 1471 CB ASN A 95 13.032 -29.166 -20.870 1.00 14.43 C ATOM 1472 CG ASN A 95 14.415 -29.407 -21.443 1.00 75.23 C ATOM 1473 OD1 ASN A 95 15.081 -28.477 -21.898 1.00 23.42 O ATOM 1474 ND2 ASN A 95 14.852 -30.661 -21.425 1.00 12.13 N ATOM 0 H ASN A 95 14.127 -28.844 -18.686 1.00 62.43 H new ATOM 0 HA ASN A 95 13.389 -27.054 -20.700 1.00 12.53 H new ATOM 0 HB2 ASN A 95 12.768 -29.990 -20.207 1.00 14.43 H new ATOM 0 HB3 ASN A 95 12.302 -29.162 -21.679 1.00 14.43 H new ATOM 0 HD21 ASN A 95 15.774 -30.885 -21.798 1.00 12.13 H new ATOM 0 HD22 ASN A 95 14.265 -31.400 -21.038 1.00 12.13 H new ATOM 1481 N THR A 96 10.863 -28.204 -18.902 1.00 11.44 N ATOM 1482 CA THR A 96 9.466 -27.967 -18.559 1.00 3.12 C ATOM 1483 C THR A 96 9.244 -26.523 -18.122 1.00 64.32 C ATOM 1484 O THR A 96 8.143 -25.990 -18.246 1.00 33.10 O ATOM 1485 CB THR A 96 8.996 -28.909 -17.435 1.00 23.24 C ATOM 1486 OG1 THR A 96 7.590 -28.748 -17.216 1.00 4.21 O ATOM 1487 CG2 THR A 96 9.751 -28.630 -16.144 1.00 31.04 C ATOM 0 H THR A 96 11.309 -28.948 -18.365 1.00 11.44 H new ATOM 0 HA THR A 96 8.882 -28.166 -19.458 1.00 3.12 H new ATOM 0 HB THR A 96 9.200 -29.935 -17.742 1.00 23.24 H new ATOM 0 HG1 THR A 96 7.299 -29.352 -16.501 1.00 4.21 H new ATOM 0 HG21 THR A 96 9.402 -29.307 -15.365 1.00 31.04 H new ATOM 0 HG22 THR A 96 10.818 -28.783 -16.306 1.00 31.04 H new ATOM 0 HG23 THR A 96 9.575 -27.600 -15.835 1.00 31.04 H new ATOM 1495 N ASN A 97 10.299 -25.896 -17.611 1.00 52.44 N ATOM 1496 CA ASN A 97 10.218 -24.512 -17.156 1.00 64.44 C ATOM 1497 C ASN A 97 9.827 -23.585 -18.303 1.00 4.53 C ATOM 1498 O ASN A 97 9.253 -22.519 -18.084 1.00 52.13 O ATOM 1499 CB ASN A 97 11.557 -24.071 -16.562 1.00 1.43 C ATOM 1500 CG ASN A 97 11.427 -22.824 -15.708 1.00 42.11 C ATOM 1501 OD1 ASN A 97 10.331 -22.461 -15.283 1.00 15.14 O ATOM 1502 ND2 ASN A 97 12.550 -22.162 -15.454 1.00 52.50 N ATOM 0 H ASN A 97 11.219 -26.323 -17.502 1.00 52.44 H new ATOM 0 HA ASN A 97 9.449 -24.452 -16.386 1.00 64.44 H new ATOM 0 HB2 ASN A 97 11.968 -24.880 -15.959 1.00 1.43 H new ATOM 0 HB3 ASN A 97 12.265 -23.883 -17.369 1.00 1.43 H new ATOM 0 HD21 ASN A 97 12.526 -21.316 -14.885 1.00 52.50 H new ATOM 0 HD22 ASN A 97 13.437 -22.500 -15.827 1.00 52.50 H new ATOM 1509 N GLY A 98 10.143 -23.998 -19.526 1.00 63.52 N ATOM 1510 CA GLY A 98 9.817 -23.194 -20.689 1.00 3.41 C ATOM 1511 C GLY A 98 10.422 -21.805 -20.621 1.00 21.30 C ATOM 1512 O GLY A 98 9.742 -20.811 -20.874 1.00 51.25 O ATOM 0 H GLY A 98 10.619 -24.876 -19.732 1.00 63.52 H new ATOM 0 HA2 GLY A 98 10.173 -23.699 -21.587 1.00 3.41 H new ATOM 0 HA3 GLY A 98 8.734 -23.111 -20.778 1.00 3.41 H new ATOM 1516 N PHE A 99 11.704 -21.736 -20.276 1.00 74.13 N ATOM 1517 CA PHE A 99 12.400 -20.459 -20.173 1.00 14.21 C ATOM 1518 C PHE A 99 12.336 -19.696 -21.493 1.00 34.11 C ATOM 1519 O PHE A 99 12.403 -18.467 -21.517 1.00 45.04 O ATOM 1520 CB PHE A 99 13.859 -20.680 -19.769 1.00 33.10 C ATOM 1521 CG PHE A 99 14.667 -19.415 -19.725 1.00 41.03 C ATOM 1522 CD1 PHE A 99 14.165 -18.277 -19.115 1.00 30.14 C ATOM 1523 CD2 PHE A 99 15.929 -19.364 -20.294 1.00 43.35 C ATOM 1524 CE1 PHE A 99 14.907 -17.112 -19.074 1.00 15.42 C ATOM 1525 CE2 PHE A 99 16.676 -18.201 -20.256 1.00 52.04 C ATOM 1526 CZ PHE A 99 16.164 -17.074 -19.644 1.00 51.22 C ATOM 0 H PHE A 99 12.281 -22.549 -20.063 1.00 74.13 H new ATOM 0 HA PHE A 99 11.904 -19.865 -19.406 1.00 14.21 H new ATOM 0 HB2 PHE A 99 13.888 -21.155 -18.788 1.00 33.10 H new ATOM 0 HB3 PHE A 99 14.321 -21.373 -20.472 1.00 33.10 H new ATOM 0 HD1 PHE A 99 13.183 -18.301 -18.667 1.00 30.14 H new ATOM 0 HD2 PHE A 99 16.334 -20.243 -20.773 1.00 43.35 H new ATOM 0 HE1 PHE A 99 14.504 -16.231 -18.596 1.00 15.42 H new ATOM 0 HE2 PHE A 99 17.658 -18.174 -20.704 1.00 52.04 H new ATOM 0 HZ PHE A 99 16.746 -16.165 -19.611 1.00 51.22 H new ATOM 1536 N LYS A 100 12.205 -20.434 -22.590 1.00 30.30 N ATOM 1537 CA LYS A 100 12.131 -19.830 -23.915 1.00 30.21 C ATOM 1538 C LYS A 100 11.043 -18.762 -23.966 1.00 4.22 C ATOM 1539 O LYS A 100 11.299 -17.620 -24.346 1.00 11.14 O ATOM 1540 CB LYS A 100 11.857 -20.902 -24.972 1.00 64.22 C ATOM 1541 CG LYS A 100 13.007 -21.877 -25.162 1.00 51.30 C ATOM 1542 CD LYS A 100 12.608 -23.044 -26.048 1.00 75.44 C ATOM 1543 CE LYS A 100 12.720 -22.689 -27.523 1.00 42.20 C ATOM 1544 NZ LYS A 100 12.035 -23.688 -28.388 1.00 72.25 N ATOM 0 H LYS A 100 12.148 -21.452 -22.588 1.00 30.30 H new ATOM 0 HA LYS A 100 13.090 -19.357 -24.125 1.00 30.21 H new ATOM 0 HB2 LYS A 100 10.963 -21.458 -24.690 1.00 64.22 H new ATOM 0 HB3 LYS A 100 11.643 -20.416 -25.924 1.00 64.22 H new ATOM 0 HG2 LYS A 100 13.857 -21.357 -25.605 1.00 51.30 H new ATOM 0 HG3 LYS A 100 13.332 -22.251 -24.191 1.00 51.30 H new ATOM 0 HD2 LYS A 100 13.244 -23.902 -25.830 1.00 75.44 H new ATOM 0 HD3 LYS A 100 11.584 -23.341 -25.821 1.00 75.44 H new ATOM 0 HE2 LYS A 100 12.286 -21.704 -27.693 1.00 42.20 H new ATOM 0 HE3 LYS A 100 13.772 -22.627 -27.803 1.00 42.20 H new ATOM 0 HZ1 LYS A 100 12.134 -23.410 -29.385 1.00 72.25 H new ATOM 0 HZ2 LYS A 100 12.465 -24.624 -28.245 1.00 72.25 H new ATOM 0 HZ3 LYS A 100 11.026 -23.729 -28.139 1.00 72.25 H new ATOM 1558 N GLY A 101 9.829 -19.141 -23.579 1.00 0.20 N ATOM 1559 CA GLY A 101 8.722 -18.203 -23.587 1.00 14.11 C ATOM 1560 C GLY A 101 8.789 -17.217 -22.438 1.00 11.41 C ATOM 1561 O GLY A 101 8.424 -16.050 -22.589 1.00 42.21 O ATOM 0 H GLY A 101 9.592 -20.081 -23.260 1.00 0.20 H new ATOM 0 HA2 GLY A 101 8.719 -17.657 -24.530 1.00 14.11 H new ATOM 0 HA3 GLY A 101 7.783 -18.754 -23.535 1.00 14.11 H new ATOM 1565 N LEU A 102 9.255 -17.685 -21.285 1.00 54.42 N ATOM 1566 CA LEU A 102 9.367 -16.836 -20.104 1.00 40.32 C ATOM 1567 C LEU A 102 10.234 -15.614 -20.392 1.00 63.30 C ATOM 1568 O LEU A 102 9.888 -14.494 -20.020 1.00 40.40 O ATOM 1569 CB LEU A 102 9.955 -17.629 -18.936 1.00 11.12 C ATOM 1570 CG LEU A 102 10.473 -16.804 -17.757 1.00 54.42 C ATOM 1571 CD1 LEU A 102 9.375 -15.902 -17.214 1.00 42.53 C ATOM 1572 CD2 LEU A 102 11.007 -17.715 -16.662 1.00 1.20 C ATOM 0 H LEU A 102 9.561 -18.648 -21.143 1.00 54.42 H new ATOM 0 HA LEU A 102 8.367 -16.494 -19.836 1.00 40.32 H new ATOM 0 HB2 LEU A 102 9.191 -18.313 -18.567 1.00 11.12 H new ATOM 0 HB3 LEU A 102 10.775 -18.240 -19.314 1.00 11.12 H new ATOM 0 HG LEU A 102 11.291 -16.175 -18.110 1.00 54.42 H new ATOM 0 HD11 LEU A 102 9.762 -15.323 -16.376 1.00 42.53 H new ATOM 0 HD12 LEU A 102 9.039 -15.225 -17.999 1.00 42.53 H new ATOM 0 HD13 LEU A 102 8.536 -16.512 -16.878 1.00 42.53 H new ATOM 0 HD21 LEU A 102 11.371 -17.111 -15.831 1.00 1.20 H new ATOM 0 HD22 LEU A 102 10.209 -18.370 -16.312 1.00 1.20 H new ATOM 0 HD23 LEU A 102 11.824 -18.319 -17.057 1.00 1.20 H new ATOM 1584 N MET A 103 11.362 -15.840 -21.058 1.00 52.55 N ATOM 1585 CA MET A 103 12.277 -14.756 -21.399 1.00 71.44 C ATOM 1586 C MET A 103 11.550 -13.648 -22.153 1.00 51.45 C ATOM 1587 O MET A 103 11.778 -12.463 -21.908 1.00 14.23 O ATOM 1588 CB MET A 103 13.437 -15.287 -22.243 1.00 64.13 C ATOM 1589 CG MET A 103 14.462 -14.224 -22.605 1.00 54.22 C ATOM 1590 SD MET A 103 15.636 -13.910 -21.274 1.00 5.40 S ATOM 1591 CE MET A 103 14.745 -12.685 -20.318 1.00 3.20 C ATOM 0 H MET A 103 11.664 -16.762 -21.372 1.00 52.55 H new ATOM 0 HA MET A 103 12.672 -14.341 -20.471 1.00 71.44 H new ATOM 0 HB2 MET A 103 13.935 -16.089 -21.698 1.00 64.13 H new ATOM 0 HB3 MET A 103 13.039 -15.723 -23.159 1.00 64.13 H new ATOM 0 HG2 MET A 103 15.005 -14.537 -23.497 1.00 54.22 H new ATOM 0 HG3 MET A 103 13.946 -13.297 -22.855 1.00 54.22 H new ATOM 0 HE1 MET A 103 15.425 -11.883 -20.031 1.00 3.20 H new ATOM 0 HE2 MET A 103 13.933 -12.275 -20.918 1.00 3.20 H new ATOM 0 HE3 MET A 103 14.334 -13.151 -19.422 1.00 3.20 H new ATOM 1601 N LYS A 104 10.674 -14.039 -23.073 1.00 23.21 N ATOM 1602 CA LYS A 104 9.913 -13.079 -23.863 1.00 34.12 C ATOM 1603 C LYS A 104 8.819 -12.428 -23.022 1.00 22.23 C ATOM 1604 O LYS A 104 8.520 -11.245 -23.183 1.00 43.15 O ATOM 1605 CB LYS A 104 9.292 -13.768 -25.081 1.00 1.44 C ATOM 1606 CG LYS A 104 10.226 -13.846 -26.276 1.00 73.51 C ATOM 1607 CD LYS A 104 11.302 -14.900 -26.075 1.00 34.42 C ATOM 1608 CE LYS A 104 12.301 -14.903 -27.222 1.00 33.13 C ATOM 1609 NZ LYS A 104 13.434 -13.970 -26.972 1.00 40.13 N ATOM 0 H LYS A 104 10.474 -15.015 -23.290 1.00 23.21 H new ATOM 0 HA LYS A 104 10.598 -12.302 -24.202 1.00 34.12 H new ATOM 0 HB2 LYS A 104 8.988 -14.777 -24.802 1.00 1.44 H new ATOM 0 HB3 LYS A 104 8.389 -13.231 -25.371 1.00 1.44 H new ATOM 0 HG2 LYS A 104 9.652 -14.077 -27.173 1.00 73.51 H new ATOM 0 HG3 LYS A 104 10.693 -12.874 -26.438 1.00 73.51 H new ATOM 0 HD2 LYS A 104 11.824 -14.714 -25.137 1.00 34.42 H new ATOM 0 HD3 LYS A 104 10.839 -15.883 -25.992 1.00 34.42 H new ATOM 0 HE2 LYS A 104 12.686 -15.912 -27.365 1.00 33.13 H new ATOM 0 HE3 LYS A 104 11.795 -14.621 -28.145 1.00 33.13 H new ATOM 0 HZ1 LYS A 104 14.093 -14.001 -27.776 1.00 40.13 H new ATOM 0 HZ2 LYS A 104 13.069 -13.003 -26.860 1.00 40.13 H new ATOM 0 HZ3 LYS A 104 13.933 -14.254 -26.105 1.00 40.13 H new ATOM 1623 N ARG A 105 8.227 -13.208 -22.123 1.00 41.00 N ATOM 1624 CA ARG A 105 7.167 -12.707 -21.256 1.00 42.35 C ATOM 1625 C ARG A 105 7.668 -11.548 -20.399 1.00 63.12 C ATOM 1626 O ARG A 105 6.963 -10.558 -20.199 1.00 62.42 O ATOM 1627 CB ARG A 105 6.640 -13.828 -20.359 1.00 54.15 C ATOM 1628 CG ARG A 105 5.239 -13.573 -19.826 1.00 5.13 C ATOM 1629 CD ARG A 105 4.655 -14.819 -19.179 1.00 14.44 C ATOM 1630 NE ARG A 105 3.277 -14.612 -18.739 1.00 42.23 N ATOM 1631 CZ ARG A 105 2.243 -14.549 -19.570 1.00 35.00 C ATOM 1632 NH1 ARG A 105 2.428 -14.677 -20.877 1.00 4.25 N ATOM 1633 NH2 ARG A 105 1.019 -14.359 -19.094 1.00 54.40 N ATOM 0 H ARG A 105 8.463 -14.189 -21.976 1.00 41.00 H new ATOM 0 HA ARG A 105 6.356 -12.345 -21.888 1.00 42.35 H new ATOM 0 HB2 ARG A 105 6.642 -14.762 -20.920 1.00 54.15 H new ATOM 0 HB3 ARG A 105 7.321 -13.960 -19.518 1.00 54.15 H new ATOM 0 HG2 ARG A 105 5.267 -12.763 -19.098 1.00 5.13 H new ATOM 0 HG3 ARG A 105 4.592 -13.247 -20.641 1.00 5.13 H new ATOM 0 HD2 ARG A 105 4.689 -15.646 -19.888 1.00 14.44 H new ATOM 0 HD3 ARG A 105 5.269 -15.106 -18.325 1.00 14.44 H new ATOM 0 HE ARG A 105 3.100 -14.510 -17.740 1.00 42.23 H new ATOM 0 HH11 ARG A 105 3.367 -14.824 -21.247 1.00 4.25 H new ATOM 0 HH12 ARG A 105 1.631 -14.628 -21.512 1.00 4.25 H new ATOM 0 HH21 ARG A 105 0.872 -14.261 -18.089 1.00 54.40 H new ATOM 0 HH22 ARG A 105 0.225 -14.311 -19.733 1.00 54.40 H new ATOM 1647 N THR A 106 8.891 -11.678 -19.894 1.00 21.12 N ATOM 1648 CA THR A 106 9.486 -10.644 -19.057 1.00 2.11 C ATOM 1649 C THR A 106 10.047 -9.507 -19.903 1.00 40.12 C ATOM 1650 O THR A 106 9.768 -8.334 -19.651 1.00 21.25 O ATOM 1651 CB THR A 106 10.612 -11.215 -18.174 1.00 13.44 C ATOM 1652 OG1 THR A 106 11.658 -11.744 -18.995 1.00 23.11 O ATOM 1653 CG2 THR A 106 10.079 -12.305 -17.256 1.00 63.11 C ATOM 0 H THR A 106 9.489 -12.490 -20.050 1.00 21.12 H new ATOM 0 HA THR A 106 8.692 -10.260 -18.417 1.00 2.11 H new ATOM 0 HB THR A 106 11.008 -10.406 -17.560 1.00 13.44 H new ATOM 0 HG1 THR A 106 12.199 -12.371 -18.471 1.00 23.11 H new ATOM 0 HG21 THR A 106 10.892 -12.693 -16.642 1.00 63.11 H new ATOM 0 HG22 THR A 106 9.303 -11.891 -16.612 1.00 63.11 H new ATOM 0 HG23 THR A 106 9.659 -13.113 -17.856 1.00 63.11 H new ATOM 1661 N THR A 107 10.840 -9.860 -20.911 1.00 35.15 N ATOM 1662 CA THR A 107 11.440 -8.869 -21.794 1.00 61.13 C ATOM 1663 C THR A 107 10.386 -7.922 -22.356 1.00 34.40 C ATOM 1664 O THR A 107 10.645 -6.736 -22.557 1.00 2.20 O ATOM 1665 CB THR A 107 12.188 -9.538 -22.963 1.00 74.31 C ATOM 1666 OG1 THR A 107 13.232 -10.379 -22.460 1.00 11.23 O ATOM 1667 CG2 THR A 107 12.777 -8.493 -23.898 1.00 3.13 C ATOM 0 H THR A 107 11.081 -10.825 -21.135 1.00 35.15 H new ATOM 0 HA THR A 107 12.151 -8.301 -21.194 1.00 61.13 H new ATOM 0 HB THR A 107 11.474 -10.142 -23.523 1.00 74.31 H new ATOM 0 HG1 THR A 107 12.974 -11.319 -22.565 1.00 11.23 H new ATOM 0 HG21 THR A 107 13.300 -8.990 -24.715 1.00 3.13 H new ATOM 0 HG22 THR A 107 11.976 -7.874 -24.303 1.00 3.13 H new ATOM 0 HG23 THR A 107 13.477 -7.865 -23.347 1.00 3.13 H new ATOM 1675 N LYS A 108 9.194 -8.454 -22.607 1.00 50.34 N ATOM 1676 CA LYS A 108 8.098 -7.656 -23.144 1.00 51.03 C ATOM 1677 C LYS A 108 7.878 -6.400 -22.307 1.00 61.01 C ATOM 1678 O LYS A 108 7.665 -5.312 -22.845 1.00 22.51 O ATOM 1679 CB LYS A 108 6.812 -8.484 -23.189 1.00 15.22 C ATOM 1680 CG LYS A 108 5.769 -7.936 -24.148 1.00 32.31 C ATOM 1681 CD LYS A 108 6.163 -8.174 -25.596 1.00 23.42 C ATOM 1682 CE LYS A 108 5.591 -9.482 -26.122 1.00 10.13 C ATOM 1683 NZ LYS A 108 6.516 -10.626 -25.889 1.00 13.43 N ATOM 0 H LYS A 108 8.963 -9.434 -22.447 1.00 50.34 H new ATOM 0 HA LYS A 108 8.364 -7.354 -24.157 1.00 51.03 H new ATOM 0 HB2 LYS A 108 7.058 -9.506 -23.478 1.00 15.22 H new ATOM 0 HB3 LYS A 108 6.384 -8.530 -22.188 1.00 15.22 H new ATOM 0 HG2 LYS A 108 4.807 -8.408 -23.949 1.00 32.31 H new ATOM 0 HG3 LYS A 108 5.641 -6.867 -23.976 1.00 32.31 H new ATOM 0 HD2 LYS A 108 5.808 -7.347 -26.211 1.00 23.42 H new ATOM 0 HD3 LYS A 108 7.250 -8.191 -25.680 1.00 23.42 H new ATOM 0 HE2 LYS A 108 4.636 -9.682 -25.636 1.00 10.13 H new ATOM 0 HE3 LYS A 108 5.392 -9.388 -27.189 1.00 10.13 H new ATOM 0 HZ1 LYS A 108 6.306 -11.386 -26.567 1.00 13.43 H new ATOM 0 HZ2 LYS A 108 7.498 -10.310 -26.017 1.00 13.43 H new ATOM 0 HZ3 LYS A 108 6.390 -10.982 -24.920 1.00 13.43 H new ATOM 1697 N LEU A 109 7.932 -6.556 -20.989 1.00 62.31 N ATOM 1698 CA LEU A 109 7.740 -5.434 -20.077 1.00 45.00 C ATOM 1699 C LEU A 109 8.998 -4.574 -19.999 1.00 61.44 C ATOM 1700 O LEU A 109 8.924 -3.367 -19.770 1.00 4.54 O ATOM 1701 CB LEU A 109 7.369 -5.942 -18.683 1.00 3.03 C ATOM 1702 CG LEU A 109 5.905 -6.330 -18.478 1.00 34.33 C ATOM 1703 CD1 LEU A 109 5.710 -6.980 -17.117 1.00 1.04 C ATOM 1704 CD2 LEU A 109 5.005 -5.112 -18.623 1.00 15.23 C ATOM 0 H LEU A 109 8.107 -7.449 -20.528 1.00 62.31 H new ATOM 0 HA LEU A 109 6.926 -4.820 -20.462 1.00 45.00 H new ATOM 0 HB2 LEU A 109 7.989 -6.810 -18.457 1.00 3.03 H new ATOM 0 HB3 LEU A 109 7.625 -5.170 -17.957 1.00 3.03 H new ATOM 0 HG LEU A 109 5.630 -7.053 -19.246 1.00 34.33 H new ATOM 0 HD11 LEU A 109 4.662 -7.249 -16.989 1.00 1.04 H new ATOM 0 HD12 LEU A 109 6.326 -7.877 -17.051 1.00 1.04 H new ATOM 0 HD13 LEU A 109 6.003 -6.280 -16.334 1.00 1.04 H new ATOM 0 HD21 LEU A 109 3.966 -5.407 -18.474 1.00 15.23 H new ATOM 0 HD22 LEU A 109 5.281 -4.365 -17.878 1.00 15.23 H new ATOM 0 HD23 LEU A 109 5.122 -4.690 -19.621 1.00 15.23 H new ATOM 1716 N LEU A 110 10.152 -5.204 -20.194 1.00 55.04 N ATOM 1717 CA LEU A 110 11.427 -4.497 -20.149 1.00 15.41 C ATOM 1718 C LEU A 110 11.508 -3.449 -21.255 1.00 13.14 C ATOM 1719 O LEU A 110 11.979 -2.333 -21.034 1.00 54.12 O ATOM 1720 CB LEU A 110 12.586 -5.486 -20.282 1.00 11.44 C ATOM 1721 CG LEU A 110 12.789 -6.444 -19.107 1.00 53.43 C ATOM 1722 CD1 LEU A 110 14.007 -7.324 -19.340 1.00 51.35 C ATOM 1723 CD2 LEU A 110 12.930 -5.669 -17.805 1.00 54.21 C ATOM 0 H LEU A 110 10.230 -6.203 -20.385 1.00 55.04 H new ATOM 0 HA LEU A 110 11.499 -3.990 -19.187 1.00 15.41 H new ATOM 0 HB2 LEU A 110 12.431 -6.077 -21.184 1.00 11.44 H new ATOM 0 HB3 LEU A 110 13.506 -4.920 -20.426 1.00 11.44 H new ATOM 0 HG LEU A 110 11.912 -7.086 -19.031 1.00 53.43 H new ATOM 0 HD11 LEU A 110 14.136 -7.999 -18.494 1.00 51.35 H new ATOM 0 HD12 LEU A 110 13.866 -7.906 -20.251 1.00 51.35 H new ATOM 0 HD13 LEU A 110 14.894 -6.698 -19.443 1.00 51.35 H new ATOM 0 HD21 LEU A 110 13.074 -6.367 -16.980 1.00 54.21 H new ATOM 0 HD22 LEU A 110 13.790 -5.002 -17.870 1.00 54.21 H new ATOM 0 HD23 LEU A 110 12.028 -5.082 -17.631 1.00 54.21 H new ATOM 1735 N LYS A 111 11.044 -3.815 -22.445 1.00 33.04 N ATOM 1736 CA LYS A 111 11.060 -2.907 -23.585 1.00 51.21 C ATOM 1737 C LYS A 111 10.272 -1.637 -23.280 1.00 41.34 C ATOM 1738 O LYS A 111 10.478 -0.599 -23.910 1.00 65.35 O ATOM 1739 CB LYS A 111 10.478 -3.597 -24.821 1.00 13.41 C ATOM 1740 CG LYS A 111 8.960 -3.653 -24.828 1.00 11.23 C ATOM 1741 CD LYS A 111 8.368 -2.611 -25.762 1.00 75.32 C ATOM 1742 CE LYS A 111 7.065 -3.095 -26.382 1.00 4.21 C ATOM 1743 NZ LYS A 111 6.194 -1.961 -26.797 1.00 11.22 N ATOM 0 H LYS A 111 10.652 -4.735 -22.645 1.00 33.04 H new ATOM 0 HA LYS A 111 12.096 -2.632 -23.784 1.00 51.21 H new ATOM 0 HB2 LYS A 111 10.818 -3.072 -25.714 1.00 13.41 H new ATOM 0 HB3 LYS A 111 10.871 -4.612 -24.879 1.00 13.41 H new ATOM 0 HG2 LYS A 111 8.633 -4.646 -25.136 1.00 11.23 H new ATOM 0 HG3 LYS A 111 8.584 -3.492 -23.817 1.00 11.23 H new ATOM 0 HD2 LYS A 111 8.189 -1.687 -25.212 1.00 75.32 H new ATOM 0 HD3 LYS A 111 9.084 -2.379 -26.551 1.00 75.32 H new ATOM 0 HE2 LYS A 111 7.285 -3.720 -27.248 1.00 4.21 H new ATOM 0 HE3 LYS A 111 6.532 -3.719 -25.665 1.00 4.21 H new ATOM 0 HZ1 LYS A 111 5.317 -2.332 -27.214 1.00 11.22 H new ATOM 0 HZ2 LYS A 111 5.963 -1.379 -25.967 1.00 11.22 H new ATOM 0 HZ3 LYS A 111 6.693 -1.379 -27.500 1.00 11.22 H new ATOM 1757 N LYS A 112 9.369 -1.725 -22.309 1.00 43.54 N ATOM 1758 CA LYS A 112 8.552 -0.582 -21.918 1.00 71.23 C ATOM 1759 C LYS A 112 9.308 0.322 -20.951 1.00 4.42 C ATOM 1760 O LYS A 112 9.102 1.536 -20.930 1.00 23.14 O ATOM 1761 CB LYS A 112 7.248 -1.059 -21.274 1.00 40.52 C ATOM 1762 CG LYS A 112 6.076 -1.110 -22.239 1.00 42.02 C ATOM 1763 CD LYS A 112 5.865 -2.512 -22.786 1.00 44.11 C ATOM 1764 CE LYS A 112 4.387 -2.851 -22.896 1.00 53.31 C ATOM 1765 NZ LYS A 112 3.721 -2.082 -23.984 1.00 11.11 N ATOM 0 H LYS A 112 9.184 -2.576 -21.778 1.00 43.54 H new ATOM 0 HA LYS A 112 8.319 -0.009 -22.816 1.00 71.23 H new ATOM 0 HB2 LYS A 112 7.403 -2.052 -20.851 1.00 40.52 H new ATOM 0 HB3 LYS A 112 6.998 -0.396 -20.446 1.00 40.52 H new ATOM 0 HG2 LYS A 112 5.171 -0.776 -21.732 1.00 42.02 H new ATOM 0 HG3 LYS A 112 6.252 -0.419 -23.064 1.00 42.02 H new ATOM 0 HD2 LYS A 112 6.332 -2.595 -23.767 1.00 44.11 H new ATOM 0 HD3 LYS A 112 6.358 -3.235 -22.136 1.00 44.11 H new ATOM 0 HE2 LYS A 112 4.272 -3.919 -23.083 1.00 53.31 H new ATOM 0 HE3 LYS A 112 3.894 -2.639 -21.947 1.00 53.31 H new ATOM 0 HZ1 LYS A 112 2.715 -2.341 -24.027 1.00 11.11 H new ATOM 0 HZ2 LYS A 112 3.808 -1.063 -23.793 1.00 11.11 H new ATOM 0 HZ3 LYS A 112 4.174 -2.303 -24.893 1.00 11.11 H new ATOM 1779 N VAL A 113 10.186 -0.276 -20.152 1.00 21.14 N ATOM 1780 CA VAL A 113 10.975 0.476 -19.184 1.00 5.14 C ATOM 1781 C VAL A 113 12.155 1.169 -19.856 1.00 52.43 C ATOM 1782 O VAL A 113 12.456 2.327 -19.566 1.00 42.31 O ATOM 1783 CB VAL A 113 11.503 -0.436 -18.060 1.00 11.31 C ATOM 1784 CG1 VAL A 113 12.153 0.392 -16.961 1.00 71.35 C ATOM 1785 CG2 VAL A 113 10.379 -1.293 -17.498 1.00 71.35 C ATOM 0 H VAL A 113 10.369 -1.279 -20.156 1.00 21.14 H new ATOM 0 HA VAL A 113 10.313 1.227 -18.752 1.00 5.14 H new ATOM 0 HB VAL A 113 12.260 -1.099 -18.479 1.00 11.31 H new ATOM 0 HG11 VAL A 113 12.520 -0.269 -16.176 1.00 71.35 H new ATOM 0 HG12 VAL A 113 12.986 0.959 -17.377 1.00 71.35 H new ATOM 0 HG13 VAL A 113 11.419 1.080 -16.542 1.00 71.35 H new ATOM 0 HG21 VAL A 113 10.769 -1.931 -16.705 1.00 71.35 H new ATOM 0 HG22 VAL A 113 9.598 -0.649 -17.094 1.00 71.35 H new ATOM 0 HG23 VAL A 113 9.963 -1.914 -18.292 1.00 71.35 H new ATOM 1795 N VAL A 114 12.820 0.453 -20.758 1.00 14.44 N ATOM 1796 CA VAL A 114 13.966 1.000 -21.474 1.00 10.02 C ATOM 1797 C VAL A 114 13.593 2.281 -22.211 1.00 43.31 C ATOM 1798 O VAL A 114 14.388 3.219 -22.289 1.00 31.52 O ATOM 1799 CB VAL A 114 14.532 -0.015 -22.485 1.00 1.22 C ATOM 1800 CG1 VAL A 114 13.460 -0.433 -23.479 1.00 51.14 C ATOM 1801 CG2 VAL A 114 15.740 0.567 -23.204 1.00 11.14 C ATOM 0 H VAL A 114 12.584 -0.507 -21.010 1.00 14.44 H new ATOM 0 HA VAL A 114 14.729 1.223 -20.728 1.00 10.02 H new ATOM 0 HB VAL A 114 14.855 -0.903 -21.941 1.00 1.22 H new ATOM 0 HG11 VAL A 114 13.878 -1.150 -24.185 1.00 51.14 H new ATOM 0 HG12 VAL A 114 12.628 -0.892 -22.945 1.00 51.14 H new ATOM 0 HG13 VAL A 114 13.104 0.444 -24.020 1.00 51.14 H new ATOM 0 HG21 VAL A 114 16.127 -0.163 -23.914 1.00 11.14 H new ATOM 0 HG22 VAL A 114 15.445 1.471 -23.737 1.00 11.14 H new ATOM 0 HG23 VAL A 114 16.514 0.811 -22.476 1.00 11.14 H new ATOM 1811 N ASP A 115 12.380 2.315 -22.751 1.00 11.24 N ATOM 1812 CA ASP A 115 11.900 3.483 -23.481 1.00 21.30 C ATOM 1813 C ASP A 115 11.651 4.652 -22.533 1.00 70.13 C ATOM 1814 O ASP A 115 11.430 5.782 -22.969 1.00 11.12 O ATOM 1815 CB ASP A 115 10.617 3.144 -24.241 1.00 31.41 C ATOM 1816 CG ASP A 115 10.465 3.956 -25.512 1.00 31.11 C ATOM 1817 OD1 ASP A 115 11.256 3.739 -26.453 1.00 64.15 O ATOM 1818 OD2 ASP A 115 9.554 4.808 -25.565 1.00 51.14 O ATOM 0 H ASP A 115 11.711 1.547 -22.697 1.00 11.24 H new ATOM 0 HA ASP A 115 12.669 3.776 -24.195 1.00 21.30 H new ATOM 0 HB2 ASP A 115 10.615 2.083 -24.489 1.00 31.41 H new ATOM 0 HB3 ASP A 115 9.758 3.322 -23.595 1.00 31.41 H new ATOM 1823 N LYS A 116 11.687 4.372 -21.235 1.00 1.41 N ATOM 1824 CA LYS A 116 11.466 5.400 -20.224 1.00 74.22 C ATOM 1825 C LYS A 116 12.790 5.986 -19.745 1.00 33.23 C ATOM 1826 O LYS A 116 13.010 7.195 -19.823 1.00 35.10 O ATOM 1827 CB LYS A 116 10.693 4.819 -19.038 1.00 24.35 C ATOM 1828 CG LYS A 116 9.253 5.294 -18.958 1.00 31.12 C ATOM 1829 CD LYS A 116 8.285 4.126 -18.871 1.00 15.21 C ATOM 1830 CE LYS A 116 6.931 4.479 -19.469 1.00 22.31 C ATOM 1831 NZ LYS A 116 6.313 5.651 -18.790 1.00 42.20 N ATOM 0 H LYS A 116 11.867 3.442 -20.858 1.00 1.41 H new ATOM 0 HA LYS A 116 10.879 6.199 -20.676 1.00 74.22 H new ATOM 0 HB2 LYS A 116 10.704 3.731 -19.106 1.00 24.35 H new ATOM 0 HB3 LYS A 116 11.207 5.086 -18.115 1.00 24.35 H new ATOM 0 HG2 LYS A 116 9.129 5.937 -18.086 1.00 31.12 H new ATOM 0 HG3 LYS A 116 9.019 5.898 -19.835 1.00 31.12 H new ATOM 0 HD2 LYS A 116 8.702 3.266 -19.395 1.00 15.21 H new ATOM 0 HD3 LYS A 116 8.159 3.834 -17.829 1.00 15.21 H new ATOM 0 HE2 LYS A 116 7.048 4.695 -20.531 1.00 22.31 H new ATOM 0 HE3 LYS A 116 6.264 3.620 -19.390 1.00 22.31 H new ATOM 0 HZ1 LYS A 116 5.491 5.337 -18.235 1.00 42.20 H new ATOM 0 HZ2 LYS A 116 7.010 6.093 -18.157 1.00 42.20 H new ATOM 0 HZ3 LYS A 116 6.006 6.343 -19.503 1.00 42.20 H new ATOM 1845 N HIS A 117 13.670 5.121 -19.250 1.00 13.24 N ATOM 1846 CA HIS A 117 14.974 5.554 -18.759 1.00 74.45 C ATOM 1847 C HIS A 117 16.097 4.804 -19.470 1.00 51.40 C ATOM 1848 O HIS A 117 17.220 5.296 -19.567 1.00 42.52 O ATOM 1849 CB HIS A 117 15.073 5.333 -17.250 1.00 2.22 C ATOM 1850 CG HIS A 117 13.872 5.813 -16.494 1.00 25.11 C ATOM 1851 ND1 HIS A 117 13.691 7.130 -16.127 1.00 32.41 N ATOM 1852 CD2 HIS A 117 12.788 5.144 -16.037 1.00 62.44 C ATOM 1853 CE1 HIS A 117 12.548 7.249 -15.476 1.00 14.12 C ATOM 1854 NE2 HIS A 117 11.980 6.058 -15.408 1.00 41.32 N ATOM 0 H HIS A 117 13.504 4.117 -19.178 1.00 13.24 H new ATOM 0 HA HIS A 117 15.080 6.618 -18.970 1.00 74.45 H new ATOM 0 HB2 HIS A 117 15.214 4.270 -17.055 1.00 2.22 H new ATOM 0 HB3 HIS A 117 15.958 5.846 -16.873 1.00 2.22 H new ATOM 0 HD2 HIS A 117 12.595 4.087 -16.147 1.00 62.44 H new ATOM 0 HE1 HIS A 117 12.146 8.165 -15.068 1.00 14.12 H new ATOM 0 HE2 HIS A 117 11.087 5.851 -14.961 1.00 41.32 H new ATOM 1862 N GLY A 118 15.785 3.610 -19.965 1.00 0.22 N ATOM 1863 CA GLY A 118 16.779 2.812 -20.659 1.00 52.40 C ATOM 1864 C GLY A 118 17.155 1.560 -19.893 1.00 31.31 C ATOM 1865 O GLY A 118 18.170 0.926 -20.186 1.00 14.54 O ATOM 0 H GLY A 118 14.862 3.181 -19.898 1.00 0.22 H new ATOM 0 HA2 GLY A 118 16.395 2.532 -21.640 1.00 52.40 H new ATOM 0 HA3 GLY A 118 17.672 3.414 -20.826 1.00 52.40 H new ATOM 1869 N ILE A 119 16.337 1.202 -18.909 1.00 1.24 N ATOM 1870 CA ILE A 119 16.590 0.017 -18.098 1.00 43.51 C ATOM 1871 C ILE A 119 16.823 -1.209 -18.974 1.00 52.33 C ATOM 1872 O ILE A 119 15.998 -1.542 -19.825 1.00 31.05 O ATOM 1873 CB ILE A 119 15.421 -0.267 -17.136 1.00 44.04 C ATOM 1874 CG1 ILE A 119 15.212 0.917 -16.190 1.00 33.43 C ATOM 1875 CG2 ILE A 119 15.682 -1.542 -16.349 1.00 32.41 C ATOM 1876 CD1 ILE A 119 16.414 1.217 -15.322 1.00 70.02 C ATOM 0 H ILE A 119 15.493 1.715 -18.654 1.00 1.24 H new ATOM 0 HA ILE A 119 17.488 0.219 -17.515 1.00 43.51 H new ATOM 0 HB ILE A 119 14.512 -0.404 -17.721 1.00 44.04 H new ATOM 0 HG12 ILE A 119 14.968 1.802 -16.777 1.00 33.43 H new ATOM 0 HG13 ILE A 119 14.354 0.713 -15.550 1.00 33.43 H new ATOM 0 HG21 ILE A 119 14.848 -1.730 -15.673 1.00 32.41 H new ATOM 0 HG22 ILE A 119 15.787 -2.380 -17.038 1.00 32.41 H new ATOM 0 HG23 ILE A 119 16.599 -1.431 -15.771 1.00 32.41 H new ATOM 0 HD11 ILE A 119 16.194 2.068 -14.677 1.00 70.02 H new ATOM 0 HD12 ILE A 119 16.646 0.347 -14.708 1.00 70.02 H new ATOM 0 HD13 ILE A 119 17.270 1.453 -15.955 1.00 70.02 H new ATOM 1888 N ALA A 120 17.951 -1.877 -18.760 1.00 21.35 N ATOM 1889 CA ALA A 120 18.291 -3.069 -19.527 1.00 34.22 C ATOM 1890 C ALA A 120 19.226 -3.981 -18.740 1.00 12.13 C ATOM 1891 O ALA A 120 20.128 -3.510 -18.046 1.00 22.31 O ATOM 1892 CB ALA A 120 18.924 -2.680 -20.854 1.00 50.53 C ATOM 0 H ALA A 120 18.646 -1.613 -18.061 1.00 21.35 H new ATOM 0 HA ALA A 120 17.370 -3.619 -19.723 1.00 34.22 H new ATOM 0 HB1 ALA A 120 19.173 -3.580 -21.416 1.00 50.53 H new ATOM 0 HB2 ALA A 120 18.222 -2.076 -21.429 1.00 50.53 H new ATOM 0 HB3 ALA A 120 19.831 -2.105 -20.670 1.00 50.53 H new