USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 661 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 SER OG : rot -73:sc= 1.33 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= -0.018 (180deg=-0.76) USER MOD Single : A 5 TYR OH : rot 180:sc= -0.547 USER MOD Single : A 6 LYS NZ :NH3+ -149:sc= 1 (180deg=0.41) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0188 USER MOD Single : A 16 GLN : amide:sc= -0.082 K(o=-0.082,f=-1.8!) USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0301) USER MOD Single : A 18 ASN : amide:sc= -0.0469 X(o=-0.047,f=-0.29) USER MOD Single : A 21 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0156) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.321 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.438 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 149:sc= 0.00683 (180deg=-0.154) USER MOD Single : A 45 MET CE :methyl 168:sc= -2.36 (180deg=-2.55) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.692 USER MOD Single : A 58 GLN : amide:sc= -0.341 X(o=-0.34,f=-0.029) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -178:sc= -1.47 (180deg=-1.57) USER MOD Single : A 81 MET CE :methyl 167:sc= -0.451 (180deg=-0.941) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 139:sc= -1.33 (180deg=-2.8!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -44:sc= 0.195 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.522 -1.516 2.634 1.00 54.03 N ATOM 2 CA MET A 1 4.293 -1.502 1.193 1.00 5.54 C ATOM 3 C MET A 1 5.194 -2.512 0.490 1.00 22.02 C ATOM 4 O MET A 1 6.052 -3.134 1.117 1.00 61.34 O ATOM 5 CB MET A 1 4.542 -0.101 0.630 1.00 13.12 C ATOM 6 CG MET A 1 3.614 0.958 1.204 1.00 4.02 C ATOM 7 SD MET A 1 4.220 2.634 0.929 1.00 13.13 S ATOM 8 CE MET A 1 4.714 3.092 2.589 1.00 61.12 C ATOM 0 H1 MET A 1 3.613 -1.615 3.129 1.00 54.03 H new ATOM 0 H2 MET A 1 5.139 -2.317 2.880 1.00 54.03 H new ATOM 0 H3 MET A 1 4.978 -0.627 2.922 1.00 54.03 H new ATOM 0 HA MET A 1 3.255 -1.780 1.012 1.00 5.54 H new ATOM 0 HB2 MET A 1 5.574 0.184 0.831 1.00 13.12 H new ATOM 0 HB3 MET A 1 4.424 -0.127 -0.453 1.00 13.12 H new ATOM 0 HG2 MET A 1 2.627 0.854 0.753 1.00 4.02 H new ATOM 0 HG3 MET A 1 3.495 0.790 2.274 1.00 4.02 H new ATOM 0 HE1 MET A 1 5.111 4.107 2.583 1.00 61.12 H new ATOM 0 HE2 MET A 1 3.850 3.044 3.252 1.00 61.12 H new ATOM 0 HE3 MET A 1 5.482 2.404 2.943 1.00 61.12 H new ATOM 18 N ASP A 2 4.993 -2.670 -0.813 1.00 61.33 N ATOM 19 CA ASP A 2 5.788 -3.605 -1.602 1.00 32.04 C ATOM 20 C ASP A 2 6.690 -2.860 -2.581 1.00 34.21 C ATOM 21 O ASP A 2 6.282 -2.547 -3.700 1.00 5.44 O ATOM 22 CB ASP A 2 4.875 -4.569 -2.361 1.00 62.04 C ATOM 23 CG ASP A 2 3.614 -3.896 -2.866 1.00 32.05 C ATOM 24 OD1 ASP A 2 3.692 -3.174 -3.882 1.00 75.30 O ATOM 25 OD2 ASP A 2 2.549 -4.092 -2.244 1.00 54.32 O ATOM 0 H ASP A 2 4.286 -2.163 -1.346 1.00 61.33 H new ATOM 0 HA ASP A 2 6.418 -4.175 -0.919 1.00 32.04 H new ATOM 0 HB2 ASP A 2 5.420 -4.993 -3.205 1.00 62.04 H new ATOM 0 HB3 ASP A 2 4.604 -5.398 -1.708 1.00 62.04 H new ATOM 30 N ASP A 3 7.915 -2.579 -2.152 1.00 61.31 N ATOM 31 CA ASP A 3 8.875 -1.871 -2.991 1.00 21.11 C ATOM 32 C ASP A 3 9.380 -2.769 -4.116 1.00 52.12 C ATOM 33 O ASP A 3 9.802 -2.285 -5.167 1.00 23.40 O ATOM 34 CB ASP A 3 10.053 -1.376 -2.149 1.00 75.44 C ATOM 35 CG ASP A 3 11.101 -0.666 -2.982 1.00 64.13 C ATOM 36 OD1 ASP A 3 11.798 -1.346 -3.764 1.00 71.22 O ATOM 37 OD2 ASP A 3 11.227 0.570 -2.852 1.00 35.25 O ATOM 0 H ASP A 3 8.267 -2.830 -1.228 1.00 61.31 H new ATOM 0 HA ASP A 3 8.369 -1.013 -3.434 1.00 21.11 H new ATOM 0 HB2 ASP A 3 9.686 -0.699 -1.378 1.00 75.44 H new ATOM 0 HB3 ASP A 3 10.512 -2.222 -1.638 1.00 75.44 H new ATOM 42 N ILE A 4 9.334 -4.077 -3.888 1.00 74.13 N ATOM 43 CA ILE A 4 9.786 -5.042 -4.883 1.00 2.21 C ATOM 44 C ILE A 4 8.859 -5.059 -6.093 1.00 70.34 C ATOM 45 O ILE A 4 9.297 -5.287 -7.221 1.00 64.41 O ATOM 46 CB ILE A 4 9.869 -6.462 -4.293 1.00 13.01 C ATOM 47 CG1 ILE A 4 10.212 -7.474 -5.388 1.00 41.42 C ATOM 48 CG2 ILE A 4 8.557 -6.831 -3.616 1.00 23.14 C ATOM 49 CD1 ILE A 4 11.127 -8.584 -4.920 1.00 53.21 C ATOM 0 H ILE A 4 8.988 -4.493 -3.023 1.00 74.13 H new ATOM 0 HA ILE A 4 10.782 -4.729 -5.196 1.00 2.21 H new ATOM 0 HB ILE A 4 10.661 -6.483 -3.544 1.00 13.01 H new ATOM 0 HG12 ILE A 4 9.289 -7.911 -5.769 1.00 41.42 H new ATOM 0 HG13 ILE A 4 10.684 -6.951 -6.220 1.00 41.42 H new ATOM 0 HG21 ILE A 4 8.631 -7.837 -3.204 1.00 23.14 H new ATOM 0 HG22 ILE A 4 8.351 -6.124 -2.813 1.00 23.14 H new ATOM 0 HG23 ILE A 4 7.748 -6.796 -4.346 1.00 23.14 H new ATOM 0 HD11 ILE A 4 11.327 -9.264 -5.748 1.00 53.21 H new ATOM 0 HD12 ILE A 4 12.065 -8.157 -4.566 1.00 53.21 H new ATOM 0 HD13 ILE A 4 10.648 -9.132 -4.108 1.00 53.21 H new ATOM 61 N TYR A 5 7.576 -4.815 -5.852 1.00 72.21 N ATOM 62 CA TYR A 5 6.586 -4.803 -6.922 1.00 74.44 C ATOM 63 C TYR A 5 6.525 -3.435 -7.594 1.00 3.44 C ATOM 64 O TYR A 5 6.459 -3.333 -8.819 1.00 4.52 O ATOM 65 CB TYR A 5 5.207 -5.176 -6.374 1.00 61.35 C ATOM 66 CG TYR A 5 5.083 -6.633 -5.988 1.00 53.14 C ATOM 67 CD1 TYR A 5 5.592 -7.634 -6.806 1.00 21.30 C ATOM 68 CD2 TYR A 5 4.455 -7.008 -4.807 1.00 1.20 C ATOM 69 CE1 TYR A 5 5.480 -8.967 -6.458 1.00 2.52 C ATOM 70 CE2 TYR A 5 4.340 -8.337 -4.450 1.00 61.41 C ATOM 71 CZ TYR A 5 4.854 -9.313 -5.279 1.00 11.12 C ATOM 72 OH TYR A 5 4.740 -10.639 -4.928 1.00 10.55 O ATOM 0 H TYR A 5 7.197 -4.623 -4.925 1.00 72.21 H new ATOM 0 HA TYR A 5 6.886 -5.540 -7.667 1.00 74.44 H new ATOM 0 HB2 TYR A 5 4.992 -4.558 -5.502 1.00 61.35 H new ATOM 0 HB3 TYR A 5 4.452 -4.942 -7.124 1.00 61.35 H new ATOM 0 HD1 TYR A 5 6.084 -7.366 -7.730 1.00 21.30 H new ATOM 0 HD2 TYR A 5 4.050 -6.247 -4.157 1.00 1.20 H new ATOM 0 HE1 TYR A 5 5.880 -9.733 -7.106 1.00 2.52 H new ATOM 0 HE2 TYR A 5 3.850 -8.611 -3.527 1.00 61.41 H new ATOM 0 HH TYR A 5 4.274 -10.711 -4.069 1.00 10.55 H new ATOM 82 N LYS A 6 6.549 -2.383 -6.781 1.00 71.34 N ATOM 83 CA LYS A 6 6.499 -1.019 -7.294 1.00 1.05 C ATOM 84 C LYS A 6 7.724 -0.714 -8.149 1.00 44.03 C ATOM 85 O LYS A 6 7.666 0.108 -9.063 1.00 53.11 O ATOM 86 CB LYS A 6 6.411 -0.021 -6.137 1.00 34.03 C ATOM 87 CG LYS A 6 7.757 0.313 -5.517 1.00 55.02 C ATOM 88 CD LYS A 6 8.383 1.534 -6.169 1.00 53.40 C ATOM 89 CE LYS A 6 9.893 1.393 -6.283 1.00 12.14 C ATOM 90 NZ LYS A 6 10.601 2.113 -5.188 1.00 61.30 N ATOM 0 H LYS A 6 6.603 -2.450 -5.765 1.00 71.34 H new ATOM 0 HA LYS A 6 5.610 -0.924 -7.917 1.00 1.05 H new ATOM 0 HB2 LYS A 6 5.948 0.898 -6.496 1.00 34.03 H new ATOM 0 HB3 LYS A 6 5.757 -0.428 -5.366 1.00 34.03 H new ATOM 0 HG2 LYS A 6 7.632 0.493 -4.449 1.00 55.02 H new ATOM 0 HG3 LYS A 6 8.428 -0.540 -5.620 1.00 55.02 H new ATOM 0 HD2 LYS A 6 7.954 1.678 -7.161 1.00 53.40 H new ATOM 0 HD3 LYS A 6 8.143 2.423 -5.585 1.00 53.40 H new ATOM 0 HE2 LYS A 6 10.162 0.337 -6.257 1.00 12.14 H new ATOM 0 HE3 LYS A 6 10.223 1.782 -7.246 1.00 12.14 H new ATOM 0 HZ1 LYS A 6 11.522 2.451 -5.533 1.00 61.30 H new ATOM 0 HZ2 LYS A 6 10.028 2.924 -4.879 1.00 61.30 H new ATOM 0 HZ3 LYS A 6 10.747 1.467 -4.386 1.00 61.30 H new ATOM 104 N ALA A 7 8.833 -1.383 -7.848 1.00 14.45 N ATOM 105 CA ALA A 7 10.070 -1.185 -8.592 1.00 23.24 C ATOM 106 C ALA A 7 9.982 -1.810 -9.980 1.00 21.23 C ATOM 107 O ALA A 7 10.128 -1.123 -10.990 1.00 63.54 O ATOM 108 CB ALA A 7 11.247 -1.767 -7.822 1.00 60.34 C ATOM 0 H ALA A 7 8.899 -2.067 -7.094 1.00 14.45 H new ATOM 0 HA ALA A 7 10.224 -0.113 -8.715 1.00 23.24 H new ATOM 0 HB1 ALA A 7 12.165 -1.612 -8.389 1.00 60.34 H new ATOM 0 HB2 ALA A 7 11.330 -1.271 -6.855 1.00 60.34 H new ATOM 0 HB3 ALA A 7 11.090 -2.835 -7.670 1.00 60.34 H new ATOM 114 N ALA A 8 9.743 -3.117 -10.021 1.00 52.11 N ATOM 115 CA ALA A 8 9.634 -3.834 -11.286 1.00 0.24 C ATOM 116 C ALA A 8 8.627 -3.162 -12.213 1.00 33.23 C ATOM 117 O ALA A 8 8.917 -2.908 -13.382 1.00 31.51 O ATOM 118 CB ALA A 8 9.242 -5.283 -11.038 1.00 61.14 C ATOM 0 H ALA A 8 9.621 -3.701 -9.193 1.00 52.11 H new ATOM 0 HA ALA A 8 10.608 -3.811 -11.774 1.00 0.24 H new ATOM 0 HB1 ALA A 8 9.164 -5.807 -11.991 1.00 61.14 H new ATOM 0 HB2 ALA A 8 10.000 -5.764 -10.420 1.00 61.14 H new ATOM 0 HB3 ALA A 8 8.281 -5.317 -10.525 1.00 61.14 H new ATOM 124 N VAL A 9 7.441 -2.877 -11.684 1.00 1.24 N ATOM 125 CA VAL A 9 6.390 -2.234 -12.464 1.00 25.01 C ATOM 126 C VAL A 9 6.836 -0.863 -12.961 1.00 34.22 C ATOM 127 O VAL A 9 6.513 -0.463 -14.079 1.00 24.30 O ATOM 128 CB VAL A 9 5.098 -2.075 -11.641 1.00 50.13 C ATOM 129 CG1 VAL A 9 5.347 -1.207 -10.417 1.00 63.12 C ATOM 130 CG2 VAL A 9 3.988 -1.491 -12.502 1.00 32.01 C ATOM 0 H VAL A 9 7.184 -3.081 -10.718 1.00 1.24 H new ATOM 0 HA VAL A 9 6.190 -2.880 -13.319 1.00 25.01 H new ATOM 0 HB VAL A 9 4.782 -3.060 -11.299 1.00 50.13 H new ATOM 0 HG11 VAL A 9 4.423 -1.106 -9.848 1.00 63.12 H new ATOM 0 HG12 VAL A 9 6.109 -1.671 -9.791 1.00 63.12 H new ATOM 0 HG13 VAL A 9 5.688 -0.221 -10.733 1.00 63.12 H new ATOM 0 HG21 VAL A 9 3.082 -1.385 -11.905 1.00 32.01 H new ATOM 0 HG22 VAL A 9 4.293 -0.513 -12.875 1.00 32.01 H new ATOM 0 HG23 VAL A 9 3.792 -2.156 -13.344 1.00 32.01 H new ATOM 140 N GLU A 10 7.578 -0.148 -12.122 1.00 25.13 N ATOM 141 CA GLU A 10 8.068 1.179 -12.477 1.00 35.05 C ATOM 142 C GLU A 10 9.106 1.096 -13.591 1.00 64.12 C ATOM 143 O GLU A 10 9.344 2.070 -14.305 1.00 24.12 O ATOM 144 CB GLU A 10 8.672 1.868 -11.252 1.00 11.55 C ATOM 145 CG GLU A 10 7.678 2.722 -10.482 1.00 3.14 C ATOM 146 CD GLU A 10 8.050 4.192 -10.481 1.00 53.31 C ATOM 147 OE1 GLU A 10 8.483 4.696 -11.538 1.00 64.32 O ATOM 148 OE2 GLU A 10 7.906 4.839 -9.423 1.00 11.54 O ATOM 0 H GLU A 10 7.853 -0.465 -11.192 1.00 25.13 H new ATOM 0 HA GLU A 10 7.223 1.766 -12.836 1.00 35.05 H new ATOM 0 HB2 GLU A 10 9.081 1.110 -10.584 1.00 11.55 H new ATOM 0 HB3 GLU A 10 9.505 2.494 -11.572 1.00 11.55 H new ATOM 0 HG2 GLU A 10 6.687 2.602 -10.919 1.00 3.14 H new ATOM 0 HG3 GLU A 10 7.618 2.365 -9.454 1.00 3.14 H new ATOM 155 N GLN A 11 9.721 -0.074 -13.733 1.00 4.21 N ATOM 156 CA GLN A 11 10.735 -0.284 -14.759 1.00 45.34 C ATOM 157 C GLN A 11 10.106 -0.800 -16.049 1.00 51.00 C ATOM 158 O GLN A 11 10.809 -1.159 -16.995 1.00 35.32 O ATOM 159 CB GLN A 11 11.795 -1.270 -14.265 1.00 3.30 C ATOM 160 CG GLN A 11 12.317 -0.954 -12.872 1.00 61.44 C ATOM 161 CD GLN A 11 13.830 -0.877 -12.820 1.00 22.53 C ATOM 162 OE1 GLN A 11 14.431 0.090 -13.287 1.00 52.43 O ATOM 163 NE2 GLN A 11 14.456 -1.900 -12.248 1.00 73.03 N ATOM 0 H GLN A 11 9.535 -0.890 -13.151 1.00 4.21 H new ATOM 0 HA GLN A 11 11.210 0.675 -14.966 1.00 45.34 H new ATOM 0 HB2 GLN A 11 11.373 -2.275 -14.267 1.00 3.30 H new ATOM 0 HB3 GLN A 11 12.630 -1.274 -14.965 1.00 3.30 H new ATOM 0 HG2 GLN A 11 11.897 -0.006 -12.537 1.00 61.44 H new ATOM 0 HG3 GLN A 11 11.972 -1.719 -12.176 1.00 61.44 H new ATOM 0 HE21 GLN A 11 13.919 -2.682 -11.874 1.00 73.03 H new ATOM 0 HE22 GLN A 11 15.474 -1.903 -12.183 1.00 73.03 H new ATOM 172 N LEU A 12 8.778 -0.835 -16.081 1.00 4.24 N ATOM 173 CA LEU A 12 8.053 -1.308 -17.255 1.00 2.42 C ATOM 174 C LEU A 12 8.233 -0.349 -18.428 1.00 35.40 C ATOM 175 O LEU A 12 8.792 0.737 -18.277 1.00 10.31 O ATOM 176 CB LEU A 12 6.566 -1.464 -16.932 1.00 2.54 C ATOM 177 CG LEU A 12 6.200 -2.615 -15.994 1.00 2.41 C ATOM 178 CD1 LEU A 12 4.779 -2.452 -15.479 1.00 13.14 C ATOM 179 CD2 LEU A 12 6.363 -3.952 -16.702 1.00 0.30 C ATOM 0 H LEU A 12 8.182 -0.541 -15.307 1.00 4.24 H new ATOM 0 HA LEU A 12 8.460 -2.279 -17.537 1.00 2.42 H new ATOM 0 HB2 LEU A 12 6.212 -0.534 -16.488 1.00 2.54 H new ATOM 0 HB3 LEU A 12 6.024 -1.598 -17.868 1.00 2.54 H new ATOM 0 HG LEU A 12 6.878 -2.593 -15.141 1.00 2.41 H new ATOM 0 HD11 LEU A 12 4.536 -3.280 -14.813 1.00 13.14 H new ATOM 0 HD12 LEU A 12 4.695 -1.512 -14.934 1.00 13.14 H new ATOM 0 HD13 LEU A 12 4.086 -2.447 -16.320 1.00 13.14 H new ATOM 0 HD21 LEU A 12 6.098 -4.760 -16.020 1.00 0.30 H new ATOM 0 HD22 LEU A 12 5.709 -3.984 -17.574 1.00 0.30 H new ATOM 0 HD23 LEU A 12 7.399 -4.071 -17.021 1.00 0.30 H new ATOM 191 N THR A 13 7.752 -0.758 -19.598 1.00 61.23 N ATOM 192 CA THR A 13 7.858 0.064 -20.797 1.00 62.52 C ATOM 193 C THR A 13 6.631 0.951 -20.966 1.00 14.44 C ATOM 194 O THR A 13 5.539 0.609 -20.511 1.00 44.23 O ATOM 195 CB THR A 13 8.028 -0.803 -22.059 1.00 72.22 C ATOM 196 OG1 THR A 13 8.075 0.030 -23.223 1.00 32.21 O ATOM 197 CG2 THR A 13 6.886 -1.800 -22.189 1.00 11.04 C ATOM 0 H THR A 13 7.285 -1.654 -19.741 1.00 61.23 H new ATOM 0 HA THR A 13 8.741 0.690 -20.673 1.00 62.52 H new ATOM 0 HB THR A 13 8.963 -1.356 -21.970 1.00 72.22 H new ATOM 0 HG1 THR A 13 8.185 -0.529 -24.021 1.00 32.21 H new ATOM 0 HG21 THR A 13 7.028 -2.401 -23.087 1.00 11.04 H new ATOM 0 HG22 THR A 13 6.871 -2.452 -21.315 1.00 11.04 H new ATOM 0 HG23 THR A 13 5.940 -1.263 -22.258 1.00 11.04 H new ATOM 205 N GLU A 14 6.817 2.093 -21.622 1.00 33.52 N ATOM 206 CA GLU A 14 5.723 3.029 -21.849 1.00 54.24 C ATOM 207 C GLU A 14 4.550 2.339 -22.540 1.00 32.33 C ATOM 208 O GLU A 14 3.390 2.603 -22.226 1.00 54.14 O ATOM 209 CB GLU A 14 6.201 4.212 -22.694 1.00 64.32 C ATOM 210 CG GLU A 14 7.294 5.032 -22.029 1.00 53.21 C ATOM 211 CD GLU A 14 6.741 6.101 -21.107 1.00 14.14 C ATOM 212 OE1 GLU A 14 5.886 6.892 -21.559 1.00 23.44 O ATOM 213 OE2 GLU A 14 7.163 6.146 -19.932 1.00 14.40 O ATOM 0 H GLU A 14 7.714 2.391 -22.005 1.00 33.52 H new ATOM 0 HA GLU A 14 5.387 3.396 -20.879 1.00 54.24 H new ATOM 0 HB2 GLU A 14 6.568 3.840 -23.650 1.00 64.32 H new ATOM 0 HB3 GLU A 14 5.352 4.861 -22.909 1.00 64.32 H new ATOM 0 HG2 GLU A 14 7.946 4.369 -21.460 1.00 53.21 H new ATOM 0 HG3 GLU A 14 7.909 5.502 -22.797 1.00 53.21 H new ATOM 220 N GLU A 15 4.863 1.453 -23.481 1.00 15.42 N ATOM 221 CA GLU A 15 3.835 0.726 -24.216 1.00 53.23 C ATOM 222 C GLU A 15 2.947 -0.072 -23.265 1.00 51.45 C ATOM 223 O GLU A 15 1.722 -0.061 -23.389 1.00 25.24 O ATOM 224 CB GLU A 15 4.477 -0.212 -25.240 1.00 75.24 C ATOM 225 CG GLU A 15 5.150 0.514 -26.393 1.00 73.31 C ATOM 226 CD GLU A 15 4.165 0.960 -27.456 1.00 72.44 C ATOM 227 OE1 GLU A 15 3.780 0.120 -28.297 1.00 51.01 O ATOM 228 OE2 GLU A 15 3.779 2.147 -27.448 1.00 44.32 O ATOM 0 H GLU A 15 5.819 1.222 -23.752 1.00 15.42 H new ATOM 0 HA GLU A 15 3.215 1.454 -24.739 1.00 53.23 H new ATOM 0 HB2 GLU A 15 5.214 -0.837 -24.736 1.00 75.24 H new ATOM 0 HB3 GLU A 15 3.713 -0.879 -25.638 1.00 75.24 H new ATOM 0 HG2 GLU A 15 5.682 1.384 -26.008 1.00 73.31 H new ATOM 0 HG3 GLU A 15 5.895 -0.141 -26.845 1.00 73.31 H new ATOM 235 N GLN A 16 3.574 -0.762 -22.319 1.00 2.24 N ATOM 236 CA GLN A 16 2.841 -1.566 -21.348 1.00 25.02 C ATOM 237 C GLN A 16 1.918 -0.693 -20.505 1.00 34.43 C ATOM 238 O GLN A 16 0.746 -1.017 -20.311 1.00 74.30 O ATOM 239 CB GLN A 16 3.815 -2.322 -20.442 1.00 71.52 C ATOM 240 CG GLN A 16 4.436 -3.543 -21.102 1.00 31.23 C ATOM 241 CD GLN A 16 3.517 -4.749 -21.081 1.00 53.43 C ATOM 242 OE1 GLN A 16 2.456 -4.746 -21.707 1.00 11.54 O ATOM 243 NE2 GLN A 16 3.920 -5.789 -20.361 1.00 14.55 N ATOM 0 H GLN A 16 4.587 -0.781 -22.204 1.00 2.24 H new ATOM 0 HA GLN A 16 2.231 -2.285 -21.895 1.00 25.02 H new ATOM 0 HB2 GLN A 16 4.610 -1.644 -20.131 1.00 71.52 H new ATOM 0 HB3 GLN A 16 3.290 -2.635 -19.539 1.00 71.52 H new ATOM 0 HG2 GLN A 16 4.691 -3.303 -22.134 1.00 31.23 H new ATOM 0 HG3 GLN A 16 5.367 -3.792 -20.593 1.00 31.23 H new ATOM 0 HE21 GLN A 16 4.806 -5.748 -19.858 1.00 14.55 H new ATOM 0 HE22 GLN A 16 3.343 -6.629 -20.311 1.00 14.55 H new ATOM 252 N LYS A 17 2.453 0.415 -20.005 1.00 13.25 N ATOM 253 CA LYS A 17 1.677 1.336 -19.182 1.00 50.34 C ATOM 254 C LYS A 17 0.517 1.929 -19.976 1.00 41.11 C ATOM 255 O LYS A 17 -0.565 2.156 -19.436 1.00 44.30 O ATOM 256 CB LYS A 17 2.573 2.458 -18.653 1.00 40.54 C ATOM 257 CG LYS A 17 2.814 2.389 -17.155 1.00 53.53 C ATOM 258 CD LYS A 17 3.865 1.350 -16.807 1.00 25.23 C ATOM 259 CE LYS A 17 4.408 1.555 -15.401 1.00 0.43 C ATOM 260 NZ LYS A 17 5.678 2.333 -15.404 1.00 52.34 N ATOM 0 H LYS A 17 3.421 0.698 -20.155 1.00 13.25 H new ATOM 0 HA LYS A 17 1.270 0.777 -18.340 1.00 50.34 H new ATOM 0 HB2 LYS A 17 3.532 2.419 -19.169 1.00 40.54 H new ATOM 0 HB3 LYS A 17 2.119 3.419 -18.896 1.00 40.54 H new ATOM 0 HG2 LYS A 17 3.133 3.366 -16.791 1.00 53.53 H new ATOM 0 HG3 LYS A 17 1.881 2.148 -16.646 1.00 53.53 H new ATOM 0 HD2 LYS A 17 3.433 0.353 -16.889 1.00 25.23 H new ATOM 0 HD3 LYS A 17 4.683 1.404 -17.525 1.00 25.23 H new ATOM 0 HE2 LYS A 17 3.665 2.076 -14.797 1.00 0.43 H new ATOM 0 HE3 LYS A 17 4.577 0.586 -14.932 1.00 0.43 H new ATOM 0 HZ1 LYS A 17 5.971 2.524 -14.424 1.00 52.34 H new ATOM 0 HZ2 LYS A 17 6.419 1.786 -15.886 1.00 52.34 H new ATOM 0 HZ3 LYS A 17 5.532 3.234 -15.903 1.00 52.34 H new ATOM 274 N ASN A 18 0.750 2.176 -21.261 1.00 62.21 N ATOM 275 CA ASN A 18 -0.276 2.741 -22.129 1.00 53.33 C ATOM 276 C ASN A 18 -1.442 1.771 -22.297 1.00 43.10 C ATOM 277 O ASN A 18 -2.603 2.178 -22.308 1.00 71.53 O ATOM 278 CB ASN A 18 0.316 3.086 -23.497 1.00 63.42 C ATOM 279 CG ASN A 18 0.642 4.561 -23.632 1.00 20.44 C ATOM 280 OD1 ASN A 18 -0.179 5.421 -23.312 1.00 21.41 O ATOM 281 ND2 ASN A 18 1.845 4.860 -24.107 1.00 24.31 N ATOM 0 H ASN A 18 1.640 1.994 -21.724 1.00 62.21 H new ATOM 0 HA ASN A 18 -0.649 3.652 -21.662 1.00 53.33 H new ATOM 0 HB2 ASN A 18 1.222 2.501 -23.656 1.00 63.42 H new ATOM 0 HB3 ASN A 18 -0.389 2.800 -24.277 1.00 63.42 H new ATOM 0 HD21 ASN A 18 2.121 5.836 -24.219 1.00 24.31 H new ATOM 0 HD22 ASN A 18 2.493 4.114 -24.359 1.00 24.31 H new ATOM 288 N GLU A 19 -1.122 0.487 -22.426 1.00 50.25 N ATOM 289 CA GLU A 19 -2.143 -0.540 -22.594 1.00 21.42 C ATOM 290 C GLU A 19 -2.972 -0.696 -21.322 1.00 22.00 C ATOM 291 O GLU A 19 -4.191 -0.857 -21.378 1.00 51.21 O ATOM 292 CB GLU A 19 -1.497 -1.878 -22.961 1.00 44.33 C ATOM 293 CG GLU A 19 -1.174 -2.012 -24.440 1.00 2.20 C ATOM 294 CD GLU A 19 -2.308 -2.634 -25.231 1.00 13.23 C ATOM 295 OE1 GLU A 19 -3.474 -2.255 -24.993 1.00 13.44 O ATOM 296 OE2 GLU A 19 -2.031 -3.499 -26.087 1.00 22.31 O ATOM 0 H GLU A 19 -0.165 0.134 -22.417 1.00 50.25 H new ATOM 0 HA GLU A 19 -2.804 -0.230 -23.403 1.00 21.42 H new ATOM 0 HB2 GLU A 19 -0.580 -1.999 -22.385 1.00 44.33 H new ATOM 0 HB3 GLU A 19 -2.166 -2.687 -22.669 1.00 44.33 H new ATOM 0 HG2 GLU A 19 -0.948 -1.027 -24.849 1.00 2.20 H new ATOM 0 HG3 GLU A 19 -0.277 -2.620 -24.559 1.00 2.20 H new ATOM 303 N PHE A 20 -2.301 -0.648 -20.176 1.00 2.41 N ATOM 304 CA PHE A 20 -2.974 -0.785 -18.890 1.00 1.44 C ATOM 305 C PHE A 20 -3.913 0.392 -18.639 1.00 23.11 C ATOM 306 O PHE A 20 -5.025 0.219 -18.140 1.00 22.31 O ATOM 307 CB PHE A 20 -1.946 -0.881 -17.760 1.00 73.41 C ATOM 308 CG PHE A 20 -0.862 -1.888 -18.021 1.00 11.34 C ATOM 309 CD1 PHE A 20 -1.120 -3.026 -18.767 1.00 40.02 C ATOM 310 CD2 PHE A 20 0.415 -1.695 -17.518 1.00 71.53 C ATOM 311 CE1 PHE A 20 -0.124 -3.954 -19.009 1.00 55.22 C ATOM 312 CE2 PHE A 20 1.414 -2.620 -17.757 1.00 44.44 C ATOM 313 CZ PHE A 20 1.144 -3.751 -18.503 1.00 2.34 C ATOM 0 H PHE A 20 -1.292 -0.515 -20.112 1.00 2.41 H new ATOM 0 HA PHE A 20 -3.565 -1.700 -18.913 1.00 1.44 H new ATOM 0 HB2 PHE A 20 -1.492 0.098 -17.608 1.00 73.41 H new ATOM 0 HB3 PHE A 20 -2.459 -1.142 -16.834 1.00 73.41 H new ATOM 0 HD1 PHE A 20 -2.111 -3.190 -19.164 1.00 40.02 H new ATOM 0 HD2 PHE A 20 0.632 -0.813 -16.933 1.00 71.53 H new ATOM 0 HE1 PHE A 20 -0.338 -4.837 -19.593 1.00 55.22 H new ATOM 0 HE2 PHE A 20 2.406 -2.459 -17.361 1.00 44.44 H new ATOM 0 HZ PHE A 20 1.923 -4.475 -18.690 1.00 2.34 H new ATOM 323 N LYS A 21 -3.456 1.590 -18.988 1.00 74.12 N ATOM 324 CA LYS A 21 -4.253 2.797 -18.803 1.00 35.32 C ATOM 325 C LYS A 21 -5.467 2.795 -19.728 1.00 25.04 C ATOM 326 O LYS A 21 -6.519 3.334 -19.387 1.00 31.11 O ATOM 327 CB LYS A 21 -3.401 4.041 -19.064 1.00 73.43 C ATOM 328 CG LYS A 21 -3.952 5.301 -18.420 1.00 42.34 C ATOM 329 CD LYS A 21 -3.170 6.532 -18.847 1.00 3.44 C ATOM 330 CE LYS A 21 -3.386 7.691 -17.885 1.00 24.44 C ATOM 331 NZ LYS A 21 -4.812 8.118 -17.842 1.00 25.31 N ATOM 0 H LYS A 21 -2.537 1.751 -19.401 1.00 74.12 H new ATOM 0 HA LYS A 21 -4.605 2.815 -17.771 1.00 35.32 H new ATOM 0 HB2 LYS A 21 -2.392 3.864 -18.692 1.00 73.43 H new ATOM 0 HB3 LYS A 21 -3.322 4.198 -20.140 1.00 73.43 H new ATOM 0 HG2 LYS A 21 -5.000 5.422 -18.693 1.00 42.34 H new ATOM 0 HG3 LYS A 21 -3.914 5.203 -17.335 1.00 42.34 H new ATOM 0 HD2 LYS A 21 -2.108 6.291 -18.895 1.00 3.44 H new ATOM 0 HD3 LYS A 21 -3.476 6.829 -19.850 1.00 3.44 H new ATOM 0 HE2 LYS A 21 -3.064 7.398 -16.886 1.00 24.44 H new ATOM 0 HE3 LYS A 21 -2.764 8.534 -18.186 1.00 24.44 H new ATOM 0 HZ1 LYS A 21 -4.901 8.972 -17.255 1.00 25.31 H new ATOM 0 HZ2 LYS A 21 -5.142 8.325 -18.806 1.00 25.31 H new ATOM 0 HZ3 LYS A 21 -5.390 7.356 -17.434 1.00 25.31 H new ATOM 345 N ALA A 22 -5.312 2.184 -20.898 1.00 1.51 N ATOM 346 CA ALA A 22 -6.396 2.110 -21.870 1.00 23.13 C ATOM 347 C ALA A 22 -7.397 1.024 -21.493 1.00 32.52 C ATOM 348 O ALA A 22 -8.603 1.264 -21.454 1.00 54.52 O ATOM 349 CB ALA A 22 -5.839 1.857 -23.263 1.00 21.21 C ATOM 0 H ALA A 22 -4.447 1.733 -21.196 1.00 1.51 H new ATOM 0 HA ALA A 22 -6.919 3.066 -21.868 1.00 23.13 H new ATOM 0 HB1 ALA A 22 -6.659 1.804 -23.979 1.00 21.21 H new ATOM 0 HB2 ALA A 22 -5.168 2.670 -23.540 1.00 21.21 H new ATOM 0 HB3 ALA A 22 -5.290 0.915 -23.270 1.00 21.21 H new ATOM 355 N ALA A 23 -6.889 -0.173 -21.216 1.00 71.03 N ATOM 356 CA ALA A 23 -7.740 -1.296 -20.841 1.00 45.14 C ATOM 357 C ALA A 23 -8.463 -1.022 -19.527 1.00 50.13 C ATOM 358 O ALA A 23 -9.469 -1.660 -19.216 1.00 24.31 O ATOM 359 CB ALA A 23 -6.915 -2.570 -20.736 1.00 60.34 C ATOM 0 H ALA A 23 -5.893 -0.390 -21.244 1.00 71.03 H new ATOM 0 HA ALA A 23 -8.492 -1.426 -21.619 1.00 45.14 H new ATOM 0 HB1 ALA A 23 -7.563 -3.401 -20.455 1.00 60.34 H new ATOM 0 HB2 ALA A 23 -6.449 -2.782 -21.698 1.00 60.34 H new ATOM 0 HB3 ALA A 23 -6.141 -2.441 -19.979 1.00 60.34 H new ATOM 365 N PHE A 24 -7.945 -0.069 -18.759 1.00 63.33 N ATOM 366 CA PHE A 24 -8.541 0.288 -17.477 1.00 62.03 C ATOM 367 C PHE A 24 -9.837 1.068 -17.679 1.00 4.14 C ATOM 368 O PHE A 24 -10.760 0.978 -16.870 1.00 33.42 O ATOM 369 CB PHE A 24 -7.558 1.116 -16.647 1.00 22.43 C ATOM 370 CG PHE A 24 -8.062 1.441 -15.270 1.00 12.40 C ATOM 371 CD1 PHE A 24 -8.957 2.481 -15.074 1.00 3.23 C ATOM 372 CD2 PHE A 24 -7.642 0.708 -14.172 1.00 75.53 C ATOM 373 CE1 PHE A 24 -9.422 2.783 -13.808 1.00 2.52 C ATOM 374 CE2 PHE A 24 -8.104 1.005 -12.904 1.00 35.11 C ATOM 375 CZ PHE A 24 -8.996 2.044 -12.722 1.00 31.32 C ATOM 0 H PHE A 24 -7.114 0.470 -19.002 1.00 63.33 H new ATOM 0 HA PHE A 24 -8.771 -0.633 -16.942 1.00 62.03 H new ATOM 0 HB2 PHE A 24 -6.618 0.571 -16.562 1.00 22.43 H new ATOM 0 HB3 PHE A 24 -7.342 2.045 -17.175 1.00 22.43 H new ATOM 0 HD1 PHE A 24 -9.295 3.062 -15.920 1.00 3.23 H new ATOM 0 HD2 PHE A 24 -6.945 -0.106 -14.309 1.00 75.53 H new ATOM 0 HE1 PHE A 24 -10.118 3.597 -13.668 1.00 2.52 H new ATOM 0 HE2 PHE A 24 -7.768 0.426 -12.057 1.00 35.11 H new ATOM 0 HZ PHE A 24 -9.360 2.278 -11.732 1.00 31.32 H new ATOM 385 N ASP A 25 -9.896 1.834 -18.762 1.00 53.41 N ATOM 386 CA ASP A 25 -11.078 2.631 -19.071 1.00 73.32 C ATOM 387 C ASP A 25 -12.283 1.734 -19.340 1.00 22.14 C ATOM 388 O ASP A 25 -13.406 2.054 -18.950 1.00 52.10 O ATOM 389 CB ASP A 25 -10.814 3.526 -20.283 1.00 4.24 C ATOM 390 CG ASP A 25 -11.955 4.487 -20.553 1.00 21.13 C ATOM 391 OD1 ASP A 25 -12.869 4.575 -19.706 1.00 53.45 O ATOM 392 OD2 ASP A 25 -11.933 5.151 -21.610 1.00 12.02 O ATOM 0 H ASP A 25 -9.140 1.920 -19.441 1.00 53.41 H new ATOM 0 HA ASP A 25 -11.299 3.258 -18.207 1.00 73.32 H new ATOM 0 HB2 ASP A 25 -9.897 4.092 -20.120 1.00 4.24 H new ATOM 0 HB3 ASP A 25 -10.652 2.903 -21.163 1.00 4.24 H new ATOM 397 N ILE A 26 -12.041 0.611 -20.008 1.00 2.13 N ATOM 398 CA ILE A 26 -13.106 -0.331 -20.328 1.00 23.32 C ATOM 399 C ILE A 26 -13.692 -0.949 -19.063 1.00 22.02 C ATOM 400 O ILE A 26 -14.860 -1.336 -19.032 1.00 12.13 O ATOM 401 CB ILE A 26 -12.602 -1.457 -21.250 1.00 34.51 C ATOM 402 CG1 ILE A 26 -12.194 -0.888 -22.610 1.00 61.32 C ATOM 403 CG2 ILE A 26 -13.674 -2.524 -21.416 1.00 71.43 C ATOM 404 CD1 ILE A 26 -10.700 -0.905 -22.848 1.00 72.44 C ATOM 0 H ILE A 26 -11.117 0.332 -20.338 1.00 2.13 H new ATOM 0 HA ILE A 26 -13.881 0.233 -20.846 1.00 23.32 H new ATOM 0 HB ILE A 26 -11.726 -1.917 -20.793 1.00 34.51 H new ATOM 0 HG12 ILE A 26 -12.686 -1.460 -23.397 1.00 61.32 H new ATOM 0 HG13 ILE A 26 -12.555 0.138 -22.689 1.00 61.32 H new ATOM 0 HG21 ILE A 26 -13.304 -3.313 -22.070 1.00 71.43 H new ATOM 0 HG22 ILE A 26 -13.921 -2.946 -20.442 1.00 71.43 H new ATOM 0 HG23 ILE A 26 -14.566 -2.078 -21.855 1.00 71.43 H new ATOM 0 HD11 ILE A 26 -10.483 -0.487 -23.831 1.00 72.44 H new ATOM 0 HD12 ILE A 26 -10.203 -0.309 -22.083 1.00 72.44 H new ATOM 0 HD13 ILE A 26 -10.336 -1.931 -22.802 1.00 72.44 H new ATOM 416 N PHE A 27 -12.873 -1.037 -18.020 1.00 20.12 N ATOM 417 CA PHE A 27 -13.310 -1.607 -16.751 1.00 11.03 C ATOM 418 C PHE A 27 -14.135 -0.598 -15.957 1.00 22.13 C ATOM 419 O PHE A 27 -15.131 -0.952 -15.327 1.00 32.45 O ATOM 420 CB PHE A 27 -12.102 -2.057 -15.926 1.00 51.33 C ATOM 421 CG PHE A 27 -11.588 -3.415 -16.309 1.00 5.04 C ATOM 422 CD1 PHE A 27 -11.164 -3.671 -17.603 1.00 30.03 C ATOM 423 CD2 PHE A 27 -11.528 -4.436 -15.374 1.00 21.02 C ATOM 424 CE1 PHE A 27 -10.690 -4.920 -17.958 1.00 4.22 C ATOM 425 CE2 PHE A 27 -11.054 -5.687 -15.723 1.00 11.51 C ATOM 426 CZ PHE A 27 -10.636 -5.929 -17.017 1.00 24.13 C ATOM 0 H PHE A 27 -11.903 -0.721 -18.029 1.00 20.12 H new ATOM 0 HA PHE A 27 -13.936 -2.473 -16.967 1.00 11.03 H new ATOM 0 HB2 PHE A 27 -11.300 -1.328 -16.042 1.00 51.33 H new ATOM 0 HB3 PHE A 27 -12.375 -2.065 -14.871 1.00 51.33 H new ATOM 0 HD1 PHE A 27 -11.204 -2.885 -18.343 1.00 30.03 H new ATOM 0 HD2 PHE A 27 -11.855 -4.252 -14.361 1.00 21.02 H new ATOM 0 HE1 PHE A 27 -10.362 -5.106 -18.970 1.00 4.22 H new ATOM 0 HE2 PHE A 27 -11.011 -6.474 -14.985 1.00 11.51 H new ATOM 0 HZ PHE A 27 -10.267 -6.906 -17.292 1.00 24.13 H new ATOM 436 N VAL A 28 -13.711 0.662 -15.992 1.00 34.53 N ATOM 437 CA VAL A 28 -14.410 1.723 -15.276 1.00 62.15 C ATOM 438 C VAL A 28 -15.568 2.271 -16.102 1.00 15.44 C ATOM 439 O VAL A 28 -16.324 3.127 -15.639 1.00 40.42 O ATOM 440 CB VAL A 28 -13.457 2.879 -14.917 1.00 72.24 C ATOM 441 CG1 VAL A 28 -12.802 3.439 -16.170 1.00 45.33 C ATOM 442 CG2 VAL A 28 -14.203 3.969 -14.163 1.00 74.20 C ATOM 0 H VAL A 28 -12.888 0.972 -16.508 1.00 34.53 H new ATOM 0 HA VAL A 28 -14.799 1.284 -14.357 1.00 62.15 H new ATOM 0 HB VAL A 28 -12.672 2.492 -14.268 1.00 72.24 H new ATOM 0 HG11 VAL A 28 -12.132 4.255 -15.897 1.00 45.33 H new ATOM 0 HG12 VAL A 28 -12.233 2.653 -16.666 1.00 45.33 H new ATOM 0 HG13 VAL A 28 -13.571 3.812 -16.847 1.00 45.33 H new ATOM 0 HG21 VAL A 28 -13.515 4.778 -13.917 1.00 74.20 H new ATOM 0 HG22 VAL A 28 -15.010 4.356 -14.786 1.00 74.20 H new ATOM 0 HG23 VAL A 28 -14.620 3.556 -13.245 1.00 74.20 H new ATOM 452 N LEU A 29 -15.704 1.773 -17.326 1.00 3.14 N ATOM 453 CA LEU A 29 -16.772 2.212 -18.217 1.00 2.52 C ATOM 454 C LEU A 29 -18.123 2.166 -17.511 1.00 74.13 C ATOM 455 O LEU A 29 -19.045 2.901 -17.863 1.00 44.34 O ATOM 456 CB LEU A 29 -16.808 1.338 -19.471 1.00 71.04 C ATOM 457 CG LEU A 29 -16.122 1.914 -20.711 1.00 32.42 C ATOM 458 CD1 LEU A 29 -16.207 0.934 -21.871 1.00 51.21 C ATOM 459 CD2 LEU A 29 -16.743 3.250 -21.092 1.00 31.32 C ATOM 0 H LEU A 29 -15.088 1.065 -17.724 1.00 3.14 H new ATOM 0 HA LEU A 29 -16.570 3.243 -18.507 1.00 2.52 H new ATOM 0 HB2 LEU A 29 -16.344 0.380 -19.235 1.00 71.04 H new ATOM 0 HB3 LEU A 29 -17.850 1.135 -19.718 1.00 71.04 H new ATOM 0 HG LEU A 29 -15.070 2.079 -20.478 1.00 32.42 H new ATOM 0 HD11 LEU A 29 -15.714 1.360 -22.745 1.00 51.21 H new ATOM 0 HD12 LEU A 29 -15.715 0.001 -21.596 1.00 51.21 H new ATOM 0 HD13 LEU A 29 -17.253 0.737 -22.105 1.00 51.21 H new ATOM 0 HD21 LEU A 29 -16.243 3.645 -21.976 1.00 31.32 H new ATOM 0 HD22 LEU A 29 -17.803 3.111 -21.307 1.00 31.32 H new ATOM 0 HD23 LEU A 29 -16.629 3.953 -20.267 1.00 31.32 H new ATOM 471 N GLY A 30 -18.234 1.297 -16.511 1.00 64.31 N ATOM 472 CA GLY A 30 -19.475 1.172 -15.770 1.00 73.23 C ATOM 473 C GLY A 30 -19.577 2.173 -14.637 1.00 15.11 C ATOM 474 O GLY A 30 -20.671 2.620 -14.291 1.00 23.30 O ATOM 0 H GLY A 30 -17.486 0.677 -16.201 1.00 64.31 H new ATOM 0 HA2 GLY A 30 -20.316 1.310 -16.450 1.00 73.23 H new ATOM 0 HA3 GLY A 30 -19.554 0.162 -15.367 1.00 73.23 H new ATOM 478 N ALA A 31 -18.435 2.526 -14.056 1.00 73.40 N ATOM 479 CA ALA A 31 -18.401 3.480 -12.955 1.00 42.43 C ATOM 480 C ALA A 31 -18.594 4.907 -13.459 1.00 73.44 C ATOM 481 O ALA A 31 -18.179 5.244 -14.567 1.00 42.03 O ATOM 482 CB ALA A 31 -17.089 3.361 -12.194 1.00 0.11 C ATOM 0 H ALA A 31 -17.521 2.165 -14.330 1.00 73.40 H new ATOM 0 HA ALA A 31 -19.223 3.246 -12.279 1.00 42.43 H new ATOM 0 HB1 ALA A 31 -17.077 4.079 -11.374 1.00 0.11 H new ATOM 0 HB2 ALA A 31 -16.991 2.352 -11.794 1.00 0.11 H new ATOM 0 HB3 ALA A 31 -16.257 3.566 -12.868 1.00 0.11 H new ATOM 488 N GLU A 32 -19.228 5.739 -12.639 1.00 30.42 N ATOM 489 CA GLU A 32 -19.477 7.128 -13.004 1.00 12.21 C ATOM 490 C GLU A 32 -18.570 8.069 -12.216 1.00 20.20 C ATOM 491 O GLU A 32 -18.681 9.290 -12.324 1.00 2.23 O ATOM 492 CB GLU A 32 -20.943 7.489 -12.755 1.00 73.04 C ATOM 493 CG GLU A 32 -21.468 8.574 -13.680 1.00 53.04 C ATOM 494 CD GLU A 32 -21.353 8.198 -15.145 1.00 4.41 C ATOM 495 OE1 GLU A 32 -22.105 7.307 -15.591 1.00 1.13 O ATOM 496 OE2 GLU A 32 -20.509 8.797 -15.845 1.00 71.33 O ATOM 0 H GLU A 32 -19.578 5.475 -11.718 1.00 30.42 H new ATOM 0 HA GLU A 32 -19.257 7.243 -14.065 1.00 12.21 H new ATOM 0 HB2 GLU A 32 -21.554 6.594 -12.875 1.00 73.04 H new ATOM 0 HB3 GLU A 32 -21.057 7.817 -11.722 1.00 73.04 H new ATOM 0 HG2 GLU A 32 -22.512 8.776 -13.441 1.00 53.04 H new ATOM 0 HG3 GLU A 32 -20.916 9.497 -13.501 1.00 53.04 H new ATOM 503 N ASP A 33 -17.674 7.491 -11.424 1.00 22.11 N ATOM 504 CA ASP A 33 -16.747 8.276 -10.618 1.00 5.34 C ATOM 505 C ASP A 33 -15.330 8.186 -11.176 1.00 41.45 C ATOM 506 O ASP A 33 -14.557 9.140 -11.093 1.00 52.14 O ATOM 507 CB ASP A 33 -16.767 7.796 -9.166 1.00 3.13 C ATOM 508 CG ASP A 33 -18.051 8.167 -8.451 1.00 12.21 C ATOM 509 OD1 ASP A 33 -18.127 9.291 -7.911 1.00 24.24 O ATOM 510 OD2 ASP A 33 -18.981 7.334 -8.433 1.00 13.54 O ATOM 0 H ASP A 33 -17.570 6.481 -11.323 1.00 22.11 H new ATOM 0 HA ASP A 33 -17.067 9.317 -10.653 1.00 5.34 H new ATOM 0 HB2 ASP A 33 -16.641 6.714 -9.143 1.00 3.13 H new ATOM 0 HB3 ASP A 33 -15.920 8.227 -8.632 1.00 3.13 H new ATOM 515 N GLY A 34 -14.995 7.032 -11.745 1.00 55.14 N ATOM 516 CA GLY A 34 -13.672 6.839 -12.308 1.00 70.55 C ATOM 517 C GLY A 34 -12.872 5.790 -11.561 1.00 44.31 C ATOM 518 O GLY A 34 -11.688 5.986 -11.281 1.00 54.20 O ATOM 0 H GLY A 34 -15.617 6.227 -11.826 1.00 55.14 H new ATOM 0 HA2 GLY A 34 -13.765 6.545 -13.353 1.00 70.55 H new ATOM 0 HA3 GLY A 34 -13.131 7.785 -12.290 1.00 70.55 H new ATOM 522 N CYS A 35 -13.517 4.676 -11.236 1.00 74.01 N ATOM 523 CA CYS A 35 -12.858 3.593 -10.514 1.00 14.41 C ATOM 524 C CYS A 35 -13.457 2.243 -10.894 1.00 65.05 C ATOM 525 O CYS A 35 -14.427 2.173 -11.649 1.00 41.54 O ATOM 526 CB CYS A 35 -12.979 3.811 -9.005 1.00 53.40 C ATOM 527 SG CYS A 35 -14.653 4.207 -8.448 1.00 53.41 S ATOM 0 H CYS A 35 -14.496 4.498 -11.461 1.00 74.01 H new ATOM 0 HA CYS A 35 -11.804 3.593 -10.791 1.00 14.41 H new ATOM 0 HB2 CYS A 35 -12.640 2.912 -8.491 1.00 53.40 H new ATOM 0 HB3 CYS A 35 -12.309 4.619 -8.711 1.00 53.40 H new ATOM 0 HG CYS A 35 -14.654 4.371 -7.158 1.00 53.41 H new ATOM 533 N ILE A 36 -12.870 1.173 -10.368 1.00 73.15 N ATOM 534 CA ILE A 36 -13.345 -0.175 -10.654 1.00 32.43 C ATOM 535 C ILE A 36 -13.812 -0.874 -9.381 1.00 72.34 C ATOM 536 O ILE A 36 -13.006 -1.209 -8.513 1.00 73.02 O ATOM 537 CB ILE A 36 -12.251 -1.028 -11.322 1.00 63.13 C ATOM 538 CG1 ILE A 36 -11.772 -0.362 -12.614 1.00 12.43 C ATOM 539 CG2 ILE A 36 -12.770 -2.430 -11.604 1.00 60.03 C ATOM 540 CD1 ILE A 36 -10.551 -1.020 -13.217 1.00 1.33 C ATOM 0 H ILE A 36 -12.066 1.213 -9.742 1.00 73.15 H new ATOM 0 HA ILE A 36 -14.185 -0.074 -11.341 1.00 32.43 H new ATOM 0 HB ILE A 36 -11.405 -1.105 -10.639 1.00 63.13 H new ATOM 0 HG12 ILE A 36 -12.582 -0.379 -13.344 1.00 12.43 H new ATOM 0 HG13 ILE A 36 -11.548 0.685 -12.412 1.00 12.43 H new ATOM 0 HG21 ILE A 36 -11.985 -3.020 -12.076 1.00 60.03 H new ATOM 0 HG22 ILE A 36 -13.067 -2.903 -10.668 1.00 60.03 H new ATOM 0 HG23 ILE A 36 -13.631 -2.372 -12.270 1.00 60.03 H new ATOM 0 HD11 ILE A 36 -10.268 -0.495 -14.130 1.00 1.33 H new ATOM 0 HD12 ILE A 36 -9.727 -0.979 -12.505 1.00 1.33 H new ATOM 0 HD13 ILE A 36 -10.777 -2.060 -13.452 1.00 1.33 H new ATOM 552 N SER A 37 -15.119 -1.093 -9.279 1.00 32.33 N ATOM 553 CA SER A 37 -15.695 -1.751 -8.111 1.00 63.15 C ATOM 554 C SER A 37 -15.734 -3.264 -8.305 1.00 2.04 C ATOM 555 O SER A 37 -15.905 -3.756 -9.421 1.00 4.33 O ATOM 556 CB SER A 37 -17.106 -1.223 -7.846 1.00 3.20 C ATOM 557 OG SER A 37 -17.867 -1.179 -9.040 1.00 71.54 O ATOM 0 H SER A 37 -15.799 -0.825 -9.990 1.00 32.33 H new ATOM 0 HA SER A 37 -15.064 -1.528 -7.251 1.00 63.15 H new ATOM 0 HB2 SER A 37 -17.605 -1.861 -7.116 1.00 3.20 H new ATOM 0 HB3 SER A 37 -17.048 -0.225 -7.411 1.00 3.20 H new ATOM 0 HG SER A 37 -18.765 -0.840 -8.843 1.00 71.54 H new ATOM 563 N THR A 38 -15.574 -3.999 -7.208 1.00 41.41 N ATOM 564 CA THR A 38 -15.589 -5.455 -7.255 1.00 73.21 C ATOM 565 C THR A 38 -16.827 -5.969 -7.982 1.00 10.23 C ATOM 566 O THR A 38 -16.801 -7.034 -8.598 1.00 63.30 O ATOM 567 CB THR A 38 -15.549 -6.063 -5.840 1.00 72.34 C ATOM 568 OG1 THR A 38 -15.840 -7.464 -5.901 1.00 31.11 O ATOM 569 CG2 THR A 38 -16.549 -5.372 -4.926 1.00 4.35 C ATOM 0 H THR A 38 -15.433 -3.609 -6.276 1.00 41.41 H new ATOM 0 HA THR A 38 -14.697 -5.763 -7.800 1.00 73.21 H new ATOM 0 HB THR A 38 -14.548 -5.917 -5.434 1.00 72.34 H new ATOM 0 HG1 THR A 38 -15.811 -7.844 -4.998 1.00 31.11 H new ATOM 0 HG21 THR A 38 -16.503 -5.818 -3.933 1.00 4.35 H new ATOM 0 HG22 THR A 38 -16.308 -4.311 -4.859 1.00 4.35 H new ATOM 0 HG23 THR A 38 -17.554 -5.491 -5.331 1.00 4.35 H new ATOM 577 N LYS A 39 -17.911 -5.205 -7.906 1.00 53.54 N ATOM 578 CA LYS A 39 -19.160 -5.581 -8.559 1.00 1.42 C ATOM 579 C LYS A 39 -18.983 -5.654 -10.072 1.00 45.10 C ATOM 580 O LYS A 39 -19.378 -6.632 -10.705 1.00 53.12 O ATOM 581 CB LYS A 39 -20.263 -4.578 -8.212 1.00 3.11 C ATOM 582 CG LYS A 39 -21.647 -5.199 -8.135 1.00 2.44 C ATOM 583 CD LYS A 39 -22.736 -4.141 -8.195 1.00 33.21 C ATOM 584 CE LYS A 39 -24.117 -4.769 -8.308 1.00 60.35 C ATOM 585 NZ LYS A 39 -25.147 -3.775 -8.719 1.00 44.14 N ATOM 0 H LYS A 39 -17.950 -4.321 -7.399 1.00 53.54 H new ATOM 0 HA LYS A 39 -19.447 -6.568 -8.197 1.00 1.42 H new ATOM 0 HB2 LYS A 39 -20.030 -4.111 -7.255 1.00 3.11 H new ATOM 0 HB3 LYS A 39 -20.271 -3.786 -8.960 1.00 3.11 H new ATOM 0 HG2 LYS A 39 -21.777 -5.904 -8.956 1.00 2.44 H new ATOM 0 HG3 LYS A 39 -21.741 -5.767 -7.210 1.00 2.44 H new ATOM 0 HD2 LYS A 39 -22.690 -3.519 -7.301 1.00 33.21 H new ATOM 0 HD3 LYS A 39 -22.562 -3.486 -9.049 1.00 33.21 H new ATOM 0 HE2 LYS A 39 -24.088 -5.582 -9.033 1.00 60.35 H new ATOM 0 HE3 LYS A 39 -24.397 -5.206 -7.349 1.00 60.35 H new ATOM 0 HZ1 LYS A 39 -26.074 -4.242 -8.785 1.00 44.14 H new ATOM 0 HZ2 LYS A 39 -25.193 -3.012 -8.014 1.00 44.14 H new ATOM 0 HZ3 LYS A 39 -24.894 -3.376 -9.646 1.00 44.14 H new ATOM 599 N GLU A 40 -18.384 -4.614 -10.644 1.00 52.24 N ATOM 600 CA GLU A 40 -18.154 -4.562 -12.083 1.00 74.44 C ATOM 601 C GLU A 40 -16.957 -5.424 -12.474 1.00 40.23 C ATOM 602 O GLU A 40 -16.945 -6.044 -13.539 1.00 3.33 O ATOM 603 CB GLU A 40 -17.927 -3.118 -12.535 1.00 24.24 C ATOM 604 CG GLU A 40 -18.940 -2.137 -11.969 1.00 43.14 C ATOM 605 CD GLU A 40 -20.339 -2.369 -12.506 1.00 43.45 C ATOM 606 OE1 GLU A 40 -20.948 -3.398 -12.148 1.00 32.03 O ATOM 607 OE2 GLU A 40 -20.824 -1.522 -13.285 1.00 43.42 O ATOM 0 H GLU A 40 -18.050 -3.797 -10.133 1.00 52.24 H new ATOM 0 HA GLU A 40 -19.041 -4.955 -12.581 1.00 74.44 H new ATOM 0 HB2 GLU A 40 -16.926 -2.806 -12.237 1.00 24.24 H new ATOM 0 HB3 GLU A 40 -17.963 -3.077 -13.624 1.00 24.24 H new ATOM 0 HG2 GLU A 40 -18.953 -2.221 -10.882 1.00 43.14 H new ATOM 0 HG3 GLU A 40 -18.628 -1.120 -12.207 1.00 43.14 H new ATOM 614 N LEU A 41 -15.952 -5.457 -11.607 1.00 24.23 N ATOM 615 CA LEU A 41 -14.748 -6.242 -11.860 1.00 51.11 C ATOM 616 C LEU A 41 -15.077 -7.729 -11.951 1.00 5.31 C ATOM 617 O LEU A 41 -14.426 -8.475 -12.681 1.00 74.05 O ATOM 618 CB LEU A 41 -13.717 -6.002 -10.756 1.00 32.13 C ATOM 619 CG LEU A 41 -12.401 -6.769 -10.888 1.00 31.30 C ATOM 620 CD1 LEU A 41 -11.920 -6.759 -12.331 1.00 2.35 C ATOM 621 CD2 LEU A 41 -11.344 -6.178 -9.967 1.00 12.23 C ATOM 0 H LEU A 41 -15.946 -4.949 -10.722 1.00 24.23 H new ATOM 0 HA LEU A 41 -14.329 -5.922 -12.814 1.00 51.11 H new ATOM 0 HB2 LEU A 41 -13.491 -4.936 -10.723 1.00 32.13 H new ATOM 0 HB3 LEU A 41 -14.171 -6.262 -9.800 1.00 32.13 H new ATOM 0 HG LEU A 41 -12.574 -7.803 -10.592 1.00 31.30 H new ATOM 0 HD11 LEU A 41 -10.982 -7.310 -12.406 1.00 2.35 H new ATOM 0 HD12 LEU A 41 -12.669 -7.230 -12.967 1.00 2.35 H new ATOM 0 HD13 LEU A 41 -11.764 -5.730 -12.655 1.00 2.35 H new ATOM 0 HD21 LEU A 41 -10.414 -6.737 -10.075 1.00 12.23 H new ATOM 0 HD22 LEU A 41 -11.173 -5.135 -10.232 1.00 12.23 H new ATOM 0 HD23 LEU A 41 -11.686 -6.239 -8.934 1.00 12.23 H new ATOM 633 N GLY A 42 -16.092 -8.152 -11.204 1.00 52.03 N ATOM 634 CA GLY A 42 -16.491 -9.547 -11.217 1.00 22.34 C ATOM 635 C GLY A 42 -17.068 -9.974 -12.552 1.00 1.32 C ATOM 636 O GLY A 42 -16.820 -11.086 -13.018 1.00 23.03 O ATOM 0 H GLY A 42 -16.645 -7.554 -10.590 1.00 52.03 H new ATOM 0 HA2 GLY A 42 -15.628 -10.170 -10.982 1.00 22.34 H new ATOM 0 HA3 GLY A 42 -17.230 -9.717 -10.434 1.00 22.34 H new ATOM 640 N LYS A 43 -17.842 -9.088 -13.170 1.00 33.23 N ATOM 641 CA LYS A 43 -18.458 -9.378 -14.460 1.00 3.45 C ATOM 642 C LYS A 43 -17.396 -9.601 -15.531 1.00 45.23 C ATOM 643 O LYS A 43 -17.505 -10.516 -16.347 1.00 72.31 O ATOM 644 CB LYS A 43 -19.383 -8.232 -14.875 1.00 14.14 C ATOM 645 CG LYS A 43 -20.788 -8.349 -14.308 1.00 61.24 C ATOM 646 CD LYS A 43 -20.844 -7.898 -12.859 1.00 32.25 C ATOM 647 CE LYS A 43 -22.269 -7.912 -12.325 1.00 64.23 C ATOM 648 NZ LYS A 43 -22.307 -8.122 -10.851 1.00 51.44 N ATOM 0 H LYS A 43 -18.058 -8.163 -12.798 1.00 33.23 H new ATOM 0 HA LYS A 43 -19.044 -10.291 -14.358 1.00 3.45 H new ATOM 0 HB2 LYS A 43 -18.946 -7.288 -14.550 1.00 14.14 H new ATOM 0 HB3 LYS A 43 -19.441 -8.199 -15.963 1.00 14.14 H new ATOM 0 HG2 LYS A 43 -21.473 -7.746 -14.904 1.00 61.24 H new ATOM 0 HG3 LYS A 43 -21.126 -9.383 -14.382 1.00 61.24 H new ATOM 0 HD2 LYS A 43 -20.219 -8.551 -12.249 1.00 32.25 H new ATOM 0 HD3 LYS A 43 -20.432 -6.892 -12.774 1.00 32.25 H new ATOM 0 HE2 LYS A 43 -22.758 -6.969 -12.570 1.00 64.23 H new ATOM 0 HE3 LYS A 43 -22.834 -8.702 -12.819 1.00 64.23 H new ATOM 0 HZ1 LYS A 43 -23.133 -7.632 -10.452 1.00 51.44 H new ATOM 0 HZ2 LYS A 43 -22.376 -9.139 -10.647 1.00 51.44 H new ATOM 0 HZ3 LYS A 43 -21.439 -7.741 -10.424 1.00 51.44 H new ATOM 662 N VAL A 44 -16.367 -8.759 -15.523 1.00 23.10 N ATOM 663 CA VAL A 44 -15.283 -8.866 -16.493 1.00 33.33 C ATOM 664 C VAL A 44 -14.561 -10.202 -16.364 1.00 25.43 C ATOM 665 O VAL A 44 -14.091 -10.763 -17.353 1.00 64.31 O ATOM 666 CB VAL A 44 -14.263 -7.725 -16.323 1.00 52.22 C ATOM 667 CG1 VAL A 44 -13.200 -7.793 -17.409 1.00 20.02 C ATOM 668 CG2 VAL A 44 -14.966 -6.376 -16.338 1.00 54.00 C ATOM 0 H VAL A 44 -16.261 -7.995 -14.855 1.00 23.10 H new ATOM 0 HA VAL A 44 -15.735 -8.794 -17.482 1.00 33.33 H new ATOM 0 HB VAL A 44 -13.770 -7.842 -15.358 1.00 52.22 H new ATOM 0 HG11 VAL A 44 -12.488 -6.979 -17.273 1.00 20.02 H new ATOM 0 HG12 VAL A 44 -12.677 -8.747 -17.347 1.00 20.02 H new ATOM 0 HG13 VAL A 44 -13.673 -7.702 -18.387 1.00 20.02 H new ATOM 0 HG21 VAL A 44 -14.230 -5.581 -16.217 1.00 54.00 H new ATOM 0 HG22 VAL A 44 -15.486 -6.247 -17.287 1.00 54.00 H new ATOM 0 HG23 VAL A 44 -15.686 -6.332 -15.521 1.00 54.00 H new ATOM 678 N MET A 45 -14.476 -10.707 -15.137 1.00 70.11 N ATOM 679 CA MET A 45 -13.812 -11.979 -14.879 1.00 25.32 C ATOM 680 C MET A 45 -14.398 -13.086 -15.750 1.00 11.32 C ATOM 681 O MET A 45 -13.686 -13.992 -16.181 1.00 64.23 O ATOM 682 CB MET A 45 -13.940 -12.355 -13.401 1.00 63.34 C ATOM 683 CG MET A 45 -13.336 -11.327 -12.458 1.00 71.32 C ATOM 684 SD MET A 45 -11.751 -11.854 -11.780 1.00 4.22 S ATOM 685 CE MET A 45 -10.941 -12.472 -13.253 1.00 23.33 C ATOM 0 H MET A 45 -14.859 -10.255 -14.307 1.00 70.11 H new ATOM 0 HA MET A 45 -12.757 -11.866 -15.128 1.00 25.32 H new ATOM 0 HB2 MET A 45 -14.995 -12.484 -13.157 1.00 63.34 H new ATOM 0 HB3 MET A 45 -13.455 -13.317 -13.236 1.00 63.34 H new ATOM 0 HG2 MET A 45 -13.204 -10.385 -12.990 1.00 71.32 H new ATOM 0 HG3 MET A 45 -14.031 -11.137 -11.640 1.00 71.32 H new ATOM 0 HE1 MET A 45 -9.884 -12.636 -13.045 1.00 23.33 H new ATOM 0 HE2 MET A 45 -11.402 -13.413 -13.554 1.00 23.33 H new ATOM 0 HE3 MET A 45 -11.044 -11.744 -14.058 1.00 23.33 H new ATOM 695 N ARG A 46 -15.700 -13.005 -16.004 1.00 31.21 N ATOM 696 CA ARG A 46 -16.382 -14.001 -16.822 1.00 41.21 C ATOM 697 C ARG A 46 -15.802 -14.035 -18.233 1.00 5.11 C ATOM 698 O ARG A 46 -15.576 -15.106 -18.796 1.00 10.40 O ATOM 699 CB ARG A 46 -17.881 -13.702 -16.883 1.00 20.11 C ATOM 700 CG ARG A 46 -18.596 -13.900 -15.556 1.00 62.22 C ATOM 701 CD ARG A 46 -19.760 -12.935 -15.401 1.00 52.41 C ATOM 702 NE ARG A 46 -21.011 -13.500 -15.901 1.00 25.00 N ATOM 703 CZ ARG A 46 -22.202 -12.954 -15.686 1.00 50.41 C ATOM 704 NH1 ARG A 46 -22.304 -11.833 -14.984 1.00 74.25 N ATOM 705 NH2 ARG A 46 -23.294 -13.528 -16.174 1.00 13.32 N ATOM 0 H ARG A 46 -16.304 -12.260 -15.655 1.00 31.21 H new ATOM 0 HA ARG A 46 -16.231 -14.978 -16.362 1.00 41.21 H new ATOM 0 HB2 ARG A 46 -18.025 -12.673 -17.213 1.00 20.11 H new ATOM 0 HB3 ARG A 46 -18.341 -14.345 -17.633 1.00 20.11 H new ATOM 0 HG2 ARG A 46 -18.960 -14.925 -15.487 1.00 62.22 H new ATOM 0 HG3 ARG A 46 -17.891 -13.756 -14.737 1.00 62.22 H new ATOM 0 HD2 ARG A 46 -19.876 -12.673 -14.349 1.00 52.41 H new ATOM 0 HD3 ARG A 46 -19.539 -12.012 -15.937 1.00 52.41 H new ATOM 0 HE ARG A 46 -20.967 -14.362 -16.445 1.00 25.00 H new ATOM 0 HH11 ARG A 46 -21.466 -11.389 -14.608 1.00 74.25 H new ATOM 0 HH12 ARG A 46 -23.220 -11.415 -14.820 1.00 74.25 H new ATOM 0 HH21 ARG A 46 -23.219 -14.390 -16.715 1.00 13.32 H new ATOM 0 HH22 ARG A 46 -24.209 -13.108 -16.008 1.00 13.32 H new ATOM 719 N MET A 47 -15.563 -12.856 -18.798 1.00 1.24 N ATOM 720 CA MET A 47 -15.008 -12.751 -20.142 1.00 72.23 C ATOM 721 C MET A 47 -13.607 -13.352 -20.201 1.00 34.12 C ATOM 722 O MET A 47 -13.196 -13.896 -21.227 1.00 15.21 O ATOM 723 CB MET A 47 -14.967 -11.288 -20.588 1.00 33.22 C ATOM 724 CG MET A 47 -16.251 -10.528 -20.296 1.00 2.11 C ATOM 725 SD MET A 47 -16.272 -8.888 -21.045 1.00 54.01 S ATOM 726 CE MET A 47 -18.015 -8.489 -20.937 1.00 32.23 C ATOM 0 H MET A 47 -15.745 -11.960 -18.346 1.00 1.24 H new ATOM 0 HA MET A 47 -15.653 -13.311 -20.818 1.00 72.23 H new ATOM 0 HB2 MET A 47 -14.137 -10.788 -20.089 1.00 33.22 H new ATOM 0 HB3 MET A 47 -14.766 -11.248 -21.659 1.00 33.22 H new ATOM 0 HG2 MET A 47 -17.101 -11.103 -20.665 1.00 2.11 H new ATOM 0 HG3 MET A 47 -16.375 -10.432 -19.217 1.00 2.11 H new ATOM 0 HE1 MET A 47 -18.189 -7.500 -21.362 1.00 32.23 H new ATOM 0 HE2 MET A 47 -18.593 -9.229 -21.491 1.00 32.23 H new ATOM 0 HE3 MET A 47 -18.326 -8.495 -19.892 1.00 32.23 H new ATOM 736 N LEU A 48 -12.878 -13.250 -19.095 1.00 74.50 N ATOM 737 CA LEU A 48 -11.523 -13.784 -19.021 1.00 4.03 C ATOM 738 C LEU A 48 -11.538 -15.309 -19.007 1.00 64.23 C ATOM 739 O LEU A 48 -10.562 -15.953 -19.390 1.00 63.11 O ATOM 740 CB LEU A 48 -10.814 -13.259 -17.771 1.00 15.52 C ATOM 741 CG LEU A 48 -10.077 -11.928 -17.926 1.00 55.23 C ATOM 742 CD1 LEU A 48 -11.001 -10.872 -18.514 1.00 44.12 C ATOM 743 CD2 LEU A 48 -9.521 -11.467 -16.587 1.00 51.41 C ATOM 0 H LEU A 48 -13.203 -12.803 -18.238 1.00 74.50 H new ATOM 0 HA LEU A 48 -10.980 -13.452 -19.906 1.00 4.03 H new ATOM 0 HB2 LEU A 48 -11.553 -13.152 -16.977 1.00 15.52 H new ATOM 0 HB3 LEU A 48 -10.098 -14.012 -17.441 1.00 15.52 H new ATOM 0 HG LEU A 48 -9.243 -12.074 -18.612 1.00 55.23 H new ATOM 0 HD11 LEU A 48 -10.460 -9.932 -18.617 1.00 44.12 H new ATOM 0 HD12 LEU A 48 -11.350 -11.199 -19.493 1.00 44.12 H new ATOM 0 HD13 LEU A 48 -11.856 -10.728 -17.853 1.00 44.12 H new ATOM 0 HD21 LEU A 48 -9.000 -10.518 -16.717 1.00 51.41 H new ATOM 0 HD22 LEU A 48 -10.339 -11.338 -15.878 1.00 51.41 H new ATOM 0 HD23 LEU A 48 -8.825 -12.214 -16.205 1.00 51.41 H new ATOM 755 N GLY A 49 -12.654 -15.881 -18.565 1.00 64.34 N ATOM 756 CA GLY A 49 -12.776 -17.326 -18.512 1.00 63.45 C ATOM 757 C GLY A 49 -12.883 -17.848 -17.093 1.00 54.42 C ATOM 758 O GLY A 49 -12.740 -19.046 -16.854 1.00 31.15 O ATOM 0 H GLY A 49 -13.476 -15.369 -18.243 1.00 64.34 H new ATOM 0 HA2 GLY A 49 -13.656 -17.634 -19.076 1.00 63.45 H new ATOM 0 HA3 GLY A 49 -11.912 -17.778 -18.998 1.00 63.45 H new ATOM 762 N GLN A 50 -13.135 -16.945 -16.150 1.00 42.05 N ATOM 763 CA GLN A 50 -13.259 -17.321 -14.747 1.00 62.12 C ATOM 764 C GLN A 50 -14.502 -16.695 -14.124 1.00 21.14 C ATOM 765 O GLN A 50 -14.967 -15.645 -14.564 1.00 1.42 O ATOM 766 CB GLN A 50 -12.013 -16.892 -13.970 1.00 61.13 C ATOM 767 CG GLN A 50 -10.802 -17.775 -14.227 1.00 10.40 C ATOM 768 CD GLN A 50 -9.495 -17.083 -13.895 1.00 3.31 C ATOM 769 OE1 GLN A 50 -8.717 -17.563 -13.070 1.00 63.32 O ATOM 770 NE2 GLN A 50 -9.246 -15.947 -14.537 1.00 24.31 N ATOM 0 H GLN A 50 -13.257 -15.949 -16.332 1.00 42.05 H new ATOM 0 HA GLN A 50 -13.355 -18.405 -14.695 1.00 62.12 H new ATOM 0 HB2 GLN A 50 -11.766 -15.864 -14.235 1.00 61.13 H new ATOM 0 HB3 GLN A 50 -12.239 -16.901 -12.904 1.00 61.13 H new ATOM 0 HG2 GLN A 50 -10.888 -18.685 -13.633 1.00 10.40 H new ATOM 0 HG3 GLN A 50 -10.793 -18.077 -15.274 1.00 10.40 H new ATOM 0 HE21 GLN A 50 -9.919 -15.585 -15.213 1.00 24.31 H new ATOM 0 HE22 GLN A 50 -8.382 -15.437 -14.354 1.00 24.31 H new ATOM 779 N ASN A 51 -15.035 -17.348 -13.096 1.00 75.13 N ATOM 780 CA ASN A 51 -16.226 -16.856 -12.413 1.00 1.43 C ATOM 781 C ASN A 51 -16.094 -17.023 -10.902 1.00 2.41 C ATOM 782 O ASN A 51 -16.794 -17.819 -10.277 1.00 31.22 O ATOM 783 CB ASN A 51 -17.469 -17.595 -12.912 1.00 62.10 C ATOM 784 CG ASN A 51 -17.221 -19.079 -13.103 1.00 41.13 C ATOM 785 OD1 ASN A 51 -17.315 -19.862 -12.158 1.00 71.22 O ATOM 786 ND2 ASN A 51 -16.902 -19.472 -14.331 1.00 3.10 N ATOM 0 H ASN A 51 -14.661 -18.219 -12.718 1.00 75.13 H new ATOM 0 HA ASN A 51 -16.329 -15.794 -12.636 1.00 1.43 H new ATOM 0 HB2 ASN A 51 -18.282 -17.454 -12.200 1.00 62.10 H new ATOM 0 HB3 ASN A 51 -17.793 -17.159 -13.857 1.00 62.10 H new ATOM 0 HD21 ASN A 51 -16.724 -20.458 -14.521 1.00 3.10 H new ATOM 0 HD22 ASN A 51 -16.835 -18.788 -15.084 1.00 3.10 H new ATOM 793 N PRO A 52 -15.175 -16.253 -10.300 1.00 23.42 N ATOM 794 CA PRO A 52 -14.930 -16.297 -8.855 1.00 44.22 C ATOM 795 C PRO A 52 -16.087 -15.712 -8.053 1.00 10.00 C ATOM 796 O PRO A 52 -16.828 -14.859 -8.543 1.00 70.11 O ATOM 797 CB PRO A 52 -13.673 -15.440 -8.683 1.00 22.23 C ATOM 798 CG PRO A 52 -13.683 -14.514 -9.849 1.00 41.51 C ATOM 799 CD PRO A 52 -14.304 -15.282 -10.983 1.00 13.42 C ATOM 0 HA PRO A 52 -14.820 -17.318 -8.491 1.00 44.22 H new ATOM 0 HB2 PRO A 52 -13.694 -14.891 -7.742 1.00 22.23 H new ATOM 0 HB3 PRO A 52 -12.773 -16.055 -8.674 1.00 22.23 H new ATOM 0 HG2 PRO A 52 -14.256 -13.614 -9.627 1.00 41.51 H new ATOM 0 HG3 PRO A 52 -12.672 -14.194 -10.102 1.00 41.51 H new ATOM 0 HD2 PRO A 52 -14.872 -14.630 -11.647 1.00 13.42 H new ATOM 0 HD3 PRO A 52 -13.549 -15.778 -11.593 1.00 13.42 H new ATOM 807 N THR A 53 -16.238 -16.175 -6.816 1.00 24.31 N ATOM 808 CA THR A 53 -17.305 -15.699 -5.946 1.00 13.30 C ATOM 809 C THR A 53 -17.253 -14.183 -5.791 1.00 70.11 C ATOM 810 O THR A 53 -16.227 -13.546 -6.028 1.00 4.33 O ATOM 811 CB THR A 53 -17.226 -16.349 -4.552 1.00 13.22 C ATOM 812 OG1 THR A 53 -15.878 -16.741 -4.270 1.00 33.31 O ATOM 813 CG2 THR A 53 -18.141 -17.561 -4.468 1.00 30.45 C ATOM 0 H THR A 53 -15.634 -16.880 -6.394 1.00 24.31 H new ATOM 0 HA THR A 53 -18.246 -15.981 -6.417 1.00 13.30 H new ATOM 0 HB THR A 53 -17.552 -15.616 -3.814 1.00 13.22 H new ATOM 0 HG1 THR A 53 -15.836 -17.152 -3.381 1.00 33.31 H new ATOM 0 HG21 THR A 53 -18.068 -18.004 -3.475 1.00 30.45 H new ATOM 0 HG22 THR A 53 -19.170 -17.254 -4.654 1.00 30.45 H new ATOM 0 HG23 THR A 53 -17.841 -18.296 -5.215 1.00 30.45 H new ATOM 821 N PRO A 54 -18.385 -13.590 -5.384 1.00 2.34 N ATOM 822 CA PRO A 54 -18.493 -12.141 -5.187 1.00 24.12 C ATOM 823 C PRO A 54 -17.690 -11.658 -3.983 1.00 75.32 C ATOM 824 O PRO A 54 -16.934 -10.693 -4.078 1.00 2.43 O ATOM 825 CB PRO A 54 -19.990 -11.925 -4.953 1.00 21.42 C ATOM 826 CG PRO A 54 -20.482 -13.227 -4.420 1.00 65.04 C ATOM 827 CD PRO A 54 -19.646 -14.287 -5.083 1.00 33.40 C ATOM 0 HA PRO A 54 -18.096 -11.584 -6.035 1.00 24.12 H new ATOM 0 HB2 PRO A 54 -20.167 -11.115 -4.245 1.00 21.42 H new ATOM 0 HB3 PRO A 54 -20.501 -11.657 -5.878 1.00 21.42 H new ATOM 0 HG2 PRO A 54 -20.378 -13.269 -3.336 1.00 65.04 H new ATOM 0 HG3 PRO A 54 -21.539 -13.366 -4.645 1.00 65.04 H new ATOM 0 HD2 PRO A 54 -19.486 -15.141 -4.426 1.00 33.40 H new ATOM 0 HD3 PRO A 54 -20.121 -14.666 -5.988 1.00 33.40 H new ATOM 835 N GLU A 55 -17.861 -12.337 -2.853 1.00 33.11 N ATOM 836 CA GLU A 55 -17.153 -11.976 -1.631 1.00 5.40 C ATOM 837 C GLU A 55 -15.647 -12.158 -1.801 1.00 40.52 C ATOM 838 O GLU A 55 -14.853 -11.403 -1.240 1.00 54.33 O ATOM 839 CB GLU A 55 -17.650 -12.821 -0.457 1.00 71.51 C ATOM 840 CG GLU A 55 -19.064 -12.480 -0.017 1.00 22.20 C ATOM 841 CD GLU A 55 -19.291 -10.986 0.109 1.00 61.23 C ATOM 842 OE1 GLU A 55 -18.421 -10.301 0.687 1.00 34.22 O ATOM 843 OE2 GLU A 55 -20.337 -10.502 -0.371 1.00 34.24 O ATOM 0 H GLU A 55 -18.483 -13.140 -2.759 1.00 33.11 H new ATOM 0 HA GLU A 55 -17.354 -10.925 -1.423 1.00 5.40 H new ATOM 0 HB2 GLU A 55 -17.609 -13.874 -0.735 1.00 71.51 H new ATOM 0 HB3 GLU A 55 -16.974 -12.688 0.387 1.00 71.51 H new ATOM 0 HG2 GLU A 55 -19.773 -12.892 -0.735 1.00 22.20 H new ATOM 0 HG3 GLU A 55 -19.267 -12.957 0.942 1.00 22.20 H new ATOM 850 N GLU A 56 -15.263 -13.165 -2.579 1.00 23.03 N ATOM 851 CA GLU A 56 -13.853 -13.447 -2.821 1.00 42.05 C ATOM 852 C GLU A 56 -13.200 -12.317 -3.613 1.00 75.21 C ATOM 853 O GLU A 56 -12.014 -12.031 -3.446 1.00 71.10 O ATOM 854 CB GLU A 56 -13.697 -14.769 -3.576 1.00 23.24 C ATOM 855 CG GLU A 56 -12.269 -15.289 -3.604 1.00 32.15 C ATOM 856 CD GLU A 56 -11.989 -16.283 -2.493 1.00 65.14 C ATOM 857 OE1 GLU A 56 -12.675 -17.326 -2.444 1.00 2.51 O ATOM 858 OE2 GLU A 56 -11.084 -16.019 -1.675 1.00 24.15 O ATOM 0 H GLU A 56 -15.908 -13.798 -3.052 1.00 23.03 H new ATOM 0 HA GLU A 56 -13.354 -13.527 -1.855 1.00 42.05 H new ATOM 0 HB2 GLU A 56 -14.339 -15.519 -3.114 1.00 23.24 H new ATOM 0 HB3 GLU A 56 -14.047 -14.637 -4.600 1.00 23.24 H new ATOM 0 HG2 GLU A 56 -12.077 -15.762 -4.567 1.00 32.15 H new ATOM 0 HG3 GLU A 56 -11.579 -14.450 -3.518 1.00 32.15 H new ATOM 865 N LEU A 57 -13.983 -11.679 -4.476 1.00 13.11 N ATOM 866 CA LEU A 57 -13.483 -10.580 -5.295 1.00 31.12 C ATOM 867 C LEU A 57 -13.013 -9.421 -4.422 1.00 55.52 C ATOM 868 O LEU A 57 -11.870 -8.977 -4.527 1.00 14.14 O ATOM 869 CB LEU A 57 -14.570 -10.100 -6.259 1.00 20.45 C ATOM 870 CG LEU A 57 -14.917 -11.051 -7.405 1.00 52.52 C ATOM 871 CD1 LEU A 57 -16.364 -10.863 -7.834 1.00 50.34 C ATOM 872 CD2 LEU A 57 -13.977 -10.832 -8.582 1.00 32.32 C ATOM 0 H LEU A 57 -14.966 -11.904 -4.627 1.00 13.11 H new ATOM 0 HA LEU A 57 -12.632 -10.946 -5.870 1.00 31.12 H new ATOM 0 HB2 LEU A 57 -15.477 -9.907 -5.686 1.00 20.45 H new ATOM 0 HB3 LEU A 57 -14.255 -9.148 -6.686 1.00 20.45 H new ATOM 0 HG LEU A 57 -14.794 -12.075 -7.053 1.00 52.52 H new ATOM 0 HD11 LEU A 57 -16.593 -11.548 -8.650 1.00 50.34 H new ATOM 0 HD12 LEU A 57 -17.023 -11.070 -6.991 1.00 50.34 H new ATOM 0 HD13 LEU A 57 -16.514 -9.837 -8.169 1.00 50.34 H new ATOM 0 HD21 LEU A 57 -14.238 -11.517 -9.389 1.00 32.32 H new ATOM 0 HD22 LEU A 57 -14.069 -9.805 -8.934 1.00 32.32 H new ATOM 0 HD23 LEU A 57 -12.950 -11.017 -8.267 1.00 32.32 H new ATOM 884 N GLN A 58 -13.903 -8.937 -3.561 1.00 42.41 N ATOM 885 CA GLN A 58 -13.578 -7.830 -2.669 1.00 41.33 C ATOM 886 C GLN A 58 -12.490 -8.230 -1.679 1.00 25.11 C ATOM 887 O GLN A 58 -11.765 -7.380 -1.162 1.00 62.25 O ATOM 888 CB GLN A 58 -14.827 -7.371 -1.915 1.00 32.52 C ATOM 889 CG GLN A 58 -14.529 -6.426 -0.762 1.00 72.03 C ATOM 890 CD GLN A 58 -13.900 -5.126 -1.222 1.00 11.41 C ATOM 891 OE1 GLN A 58 -14.483 -4.388 -2.017 1.00 45.14 O ATOM 892 NE2 GLN A 58 -12.704 -4.837 -0.722 1.00 71.23 N ATOM 0 H GLN A 58 -14.854 -9.294 -3.462 1.00 42.41 H new ATOM 0 HA GLN A 58 -13.205 -7.005 -3.276 1.00 41.33 H new ATOM 0 HB2 GLN A 58 -15.502 -6.877 -2.614 1.00 32.52 H new ATOM 0 HB3 GLN A 58 -15.351 -8.246 -1.531 1.00 32.52 H new ATOM 0 HG2 GLN A 58 -15.453 -6.209 -0.227 1.00 72.03 H new ATOM 0 HG3 GLN A 58 -13.861 -6.919 -0.056 1.00 72.03 H new ATOM 0 HE21 GLN A 58 -12.257 -5.477 -0.066 1.00 71.23 H new ATOM 0 HE22 GLN A 58 -12.232 -3.975 -0.994 1.00 71.23 H new ATOM 901 N GLU A 59 -12.382 -9.529 -1.419 1.00 24.33 N ATOM 902 CA GLU A 59 -11.382 -10.041 -0.489 1.00 1.03 C ATOM 903 C GLU A 59 -9.974 -9.672 -0.946 1.00 43.03 C ATOM 904 O GLU A 59 -9.190 -9.107 -0.184 1.00 12.11 O ATOM 905 CB GLU A 59 -11.506 -11.560 -0.357 1.00 64.44 C ATOM 906 CG GLU A 59 -12.104 -12.010 0.965 1.00 64.51 C ATOM 907 CD GLU A 59 -11.150 -11.825 2.129 1.00 32.34 C ATOM 908 OE1 GLU A 59 -10.178 -11.054 1.983 1.00 75.41 O ATOM 909 OE2 GLU A 59 -11.375 -12.451 3.186 1.00 11.34 O ATOM 0 H GLU A 59 -12.974 -10.246 -1.839 1.00 24.33 H new ATOM 0 HA GLU A 59 -11.561 -9.584 0.484 1.00 1.03 H new ATOM 0 HB2 GLU A 59 -12.123 -11.938 -1.172 1.00 64.44 H new ATOM 0 HB3 GLU A 59 -10.519 -12.008 -0.470 1.00 64.44 H new ATOM 0 HG2 GLU A 59 -13.018 -11.448 1.156 1.00 64.51 H new ATOM 0 HG3 GLU A 59 -12.385 -13.061 0.894 1.00 64.51 H new ATOM 916 N MET A 60 -9.660 -9.997 -2.196 1.00 50.43 N ATOM 917 CA MET A 60 -8.347 -9.699 -2.756 1.00 42.01 C ATOM 918 C MET A 60 -8.160 -8.196 -2.935 1.00 51.31 C ATOM 919 O MET A 60 -7.058 -7.673 -2.764 1.00 33.24 O ATOM 920 CB MET A 60 -8.168 -10.410 -4.099 1.00 21.43 C ATOM 921 CG MET A 60 -6.759 -10.933 -4.327 1.00 3.52 C ATOM 922 SD MET A 60 -5.788 -9.864 -5.407 1.00 53.22 S ATOM 923 CE MET A 60 -6.374 -10.388 -7.017 1.00 22.13 C ATOM 0 H MET A 60 -10.297 -10.467 -2.840 1.00 50.43 H new ATOM 0 HA MET A 60 -7.592 -10.061 -2.058 1.00 42.01 H new ATOM 0 HB2 MET A 60 -8.869 -11.242 -4.156 1.00 21.43 H new ATOM 0 HB3 MET A 60 -8.425 -9.720 -4.903 1.00 21.43 H new ATOM 0 HG2 MET A 60 -6.252 -11.030 -3.367 1.00 3.52 H new ATOM 0 HG3 MET A 60 -6.812 -11.931 -4.762 1.00 3.52 H new ATOM 0 HE1 MET A 60 -5.865 -9.816 -7.793 1.00 22.13 H new ATOM 0 HE2 MET A 60 -6.166 -11.449 -7.152 1.00 22.13 H new ATOM 0 HE3 MET A 60 -7.448 -10.217 -7.086 1.00 22.13 H new ATOM 933 N ILE A 61 -9.242 -7.507 -3.281 1.00 13.42 N ATOM 934 CA ILE A 61 -9.197 -6.064 -3.482 1.00 4.30 C ATOM 935 C ILE A 61 -8.883 -5.337 -2.179 1.00 1.42 C ATOM 936 O ILE A 61 -8.391 -4.208 -2.189 1.00 20.15 O ATOM 937 CB ILE A 61 -10.527 -5.532 -4.046 1.00 52.52 C ATOM 938 CG1 ILE A 61 -10.766 -6.083 -5.453 1.00 54.23 C ATOM 939 CG2 ILE A 61 -10.526 -4.010 -4.061 1.00 24.25 C ATOM 940 CD1 ILE A 61 -12.065 -5.615 -6.073 1.00 4.21 C ATOM 0 H ILE A 61 -10.161 -7.925 -3.428 1.00 13.42 H new ATOM 0 HA ILE A 61 -8.403 -5.871 -4.204 1.00 4.30 H new ATOM 0 HB ILE A 61 -11.338 -5.869 -3.401 1.00 52.52 H new ATOM 0 HG12 ILE A 61 -9.938 -5.786 -6.096 1.00 54.23 H new ATOM 0 HG13 ILE A 61 -10.764 -7.172 -5.413 1.00 54.23 H new ATOM 0 HG21 ILE A 61 -11.473 -3.649 -4.462 1.00 24.25 H new ATOM 0 HG22 ILE A 61 -10.397 -3.636 -3.045 1.00 24.25 H new ATOM 0 HG23 ILE A 61 -9.708 -3.653 -4.686 1.00 24.25 H new ATOM 0 HD11 ILE A 61 -12.168 -6.045 -7.069 1.00 4.21 H new ATOM 0 HD12 ILE A 61 -12.901 -5.935 -5.451 1.00 4.21 H new ATOM 0 HD13 ILE A 61 -12.063 -4.527 -6.145 1.00 4.21 H new ATOM 952 N ASP A 62 -9.169 -5.991 -1.059 1.00 31.41 N ATOM 953 CA ASP A 62 -8.915 -5.409 0.254 1.00 42.14 C ATOM 954 C ASP A 62 -7.417 -5.247 0.496 1.00 73.34 C ATOM 955 O ASP A 62 -6.952 -4.170 0.867 1.00 71.33 O ATOM 956 CB ASP A 62 -9.530 -6.280 1.350 1.00 71.23 C ATOM 957 CG ASP A 62 -9.367 -5.675 2.730 1.00 20.02 C ATOM 958 OD1 ASP A 62 -9.320 -4.431 2.830 1.00 22.45 O ATOM 959 OD2 ASP A 62 -9.286 -6.445 3.710 1.00 24.12 O ATOM 0 H ASP A 62 -9.577 -6.925 -1.034 1.00 31.41 H new ATOM 0 HA ASP A 62 -9.378 -4.423 0.282 1.00 42.14 H new ATOM 0 HB2 ASP A 62 -10.590 -6.425 1.143 1.00 71.23 H new ATOM 0 HB3 ASP A 62 -9.064 -7.265 1.331 1.00 71.23 H new ATOM 964 N GLU A 63 -6.669 -6.325 0.284 1.00 61.44 N ATOM 965 CA GLU A 63 -5.224 -6.302 0.481 1.00 74.51 C ATOM 966 C GLU A 63 -4.540 -5.475 -0.603 1.00 52.32 C ATOM 967 O GLU A 63 -3.429 -4.979 -0.414 1.00 33.25 O ATOM 968 CB GLU A 63 -4.665 -7.726 0.480 1.00 25.52 C ATOM 969 CG GLU A 63 -4.342 -8.254 1.868 1.00 70.51 C ATOM 970 CD GLU A 63 -5.552 -8.272 2.781 1.00 34.51 C ATOM 971 OE1 GLU A 63 -6.580 -8.865 2.391 1.00 33.21 O ATOM 972 OE2 GLU A 63 -5.472 -7.694 3.885 1.00 73.11 O ATOM 0 H GLU A 63 -7.039 -7.224 -0.024 1.00 61.44 H new ATOM 0 HA GLU A 63 -5.022 -5.840 1.447 1.00 74.51 H new ATOM 0 HB2 GLU A 63 -5.388 -8.391 0.007 1.00 25.52 H new ATOM 0 HB3 GLU A 63 -3.761 -7.752 -0.129 1.00 25.52 H new ATOM 0 HG2 GLU A 63 -3.940 -9.264 1.784 1.00 70.51 H new ATOM 0 HG3 GLU A 63 -3.563 -7.637 2.315 1.00 70.51 H new ATOM 979 N VAL A 64 -5.212 -5.330 -1.741 1.00 41.22 N ATOM 980 CA VAL A 64 -4.670 -4.562 -2.856 1.00 72.32 C ATOM 981 C VAL A 64 -4.888 -3.067 -2.652 1.00 21.34 C ATOM 982 O VAL A 64 -3.954 -2.273 -2.762 1.00 0.22 O ATOM 983 CB VAL A 64 -5.310 -4.985 -4.192 1.00 31.11 C ATOM 984 CG1 VAL A 64 -4.784 -4.126 -5.332 1.00 24.52 C ATOM 985 CG2 VAL A 64 -5.053 -6.460 -4.462 1.00 14.01 C ATOM 0 H VAL A 64 -6.132 -5.734 -1.915 1.00 41.22 H new ATOM 0 HA VAL A 64 -3.600 -4.768 -2.892 1.00 72.32 H new ATOM 0 HB VAL A 64 -6.387 -4.834 -4.123 1.00 31.11 H new ATOM 0 HG11 VAL A 64 -5.247 -4.439 -6.268 1.00 24.52 H new ATOM 0 HG12 VAL A 64 -5.025 -3.080 -5.141 1.00 24.52 H new ATOM 0 HG13 VAL A 64 -3.703 -4.242 -5.406 1.00 24.52 H new ATOM 0 HG21 VAL A 64 -5.512 -6.742 -5.410 1.00 14.01 H new ATOM 0 HG22 VAL A 64 -3.979 -6.639 -4.512 1.00 14.01 H new ATOM 0 HG23 VAL A 64 -5.484 -7.057 -3.658 1.00 14.01 H new ATOM 995 N ASP A 65 -6.126 -2.691 -2.353 1.00 33.13 N ATOM 996 CA ASP A 65 -6.467 -1.291 -2.131 1.00 14.33 C ATOM 997 C ASP A 65 -5.733 -0.739 -0.913 1.00 31.14 C ATOM 998 O ASP A 65 -6.123 -0.994 0.226 1.00 0.13 O ATOM 999 CB ASP A 65 -7.978 -1.135 -1.945 1.00 44.32 C ATOM 1000 CG ASP A 65 -8.481 0.218 -2.410 1.00 33.42 C ATOM 1001 OD1 ASP A 65 -7.651 1.043 -2.846 1.00 31.32 O ATOM 1002 OD2 ASP A 65 -9.706 0.451 -2.338 1.00 61.45 O ATOM 0 H ASP A 65 -6.910 -3.336 -2.259 1.00 33.13 H new ATOM 0 HA ASP A 65 -6.156 -0.724 -3.008 1.00 14.33 H new ATOM 0 HB2 ASP A 65 -8.492 -1.921 -2.498 1.00 44.32 H new ATOM 0 HB3 ASP A 65 -8.228 -1.270 -0.893 1.00 44.32 H new ATOM 1007 N GLU A 66 -4.668 0.017 -1.162 1.00 32.41 N ATOM 1008 CA GLU A 66 -3.879 0.602 -0.085 1.00 3.12 C ATOM 1009 C GLU A 66 -4.715 1.585 0.730 1.00 45.11 C ATOM 1010 O GLU A 66 -4.460 1.799 1.915 1.00 0.23 O ATOM 1011 CB GLU A 66 -2.647 1.311 -0.652 1.00 72.13 C ATOM 1012 CG GLU A 66 -1.704 0.385 -1.402 1.00 4.33 C ATOM 1013 CD GLU A 66 -0.861 -0.466 -0.472 1.00 3.10 C ATOM 1014 OE1 GLU A 66 -1.406 -1.424 0.114 1.00 72.33 O ATOM 1015 OE2 GLU A 66 0.345 -0.173 -0.331 1.00 22.14 O ATOM 0 H GLU A 66 -4.332 0.238 -2.099 1.00 32.41 H new ATOM 0 HA GLU A 66 -3.555 -0.205 0.572 1.00 3.12 H new ATOM 0 HB2 GLU A 66 -2.972 2.106 -1.323 1.00 72.13 H new ATOM 0 HB3 GLU A 66 -2.103 1.786 0.165 1.00 72.13 H new ATOM 0 HG2 GLU A 66 -2.284 -0.265 -2.058 1.00 4.33 H new ATOM 0 HG3 GLU A 66 -1.049 0.978 -2.040 1.00 4.33 H new ATOM 1022 N ASP A 67 -5.712 2.180 0.085 1.00 11.14 N ATOM 1023 CA ASP A 67 -6.586 3.140 0.749 1.00 14.30 C ATOM 1024 C ASP A 67 -7.843 2.456 1.277 1.00 15.11 C ATOM 1025 O ASP A 67 -8.639 3.063 1.993 1.00 3.00 O ATOM 1026 CB ASP A 67 -6.969 4.265 -0.215 1.00 32.44 C ATOM 1027 CG ASP A 67 -7.395 3.743 -1.573 1.00 13.02 C ATOM 1028 OD1 ASP A 67 -8.514 3.196 -1.675 1.00 24.04 O ATOM 1029 OD2 ASP A 67 -6.611 3.883 -2.534 1.00 60.42 O ATOM 0 H ASP A 67 -5.935 2.015 -0.896 1.00 11.14 H new ATOM 0 HA ASP A 67 -6.043 3.565 1.594 1.00 14.30 H new ATOM 0 HB2 ASP A 67 -7.781 4.850 0.217 1.00 32.44 H new ATOM 0 HB3 ASP A 67 -6.121 4.939 -0.338 1.00 32.44 H new ATOM 1034 N GLY A 68 -8.017 1.188 0.917 1.00 24.32 N ATOM 1035 CA GLY A 68 -9.179 0.442 1.363 1.00 53.44 C ATOM 1036 C GLY A 68 -10.479 1.160 1.059 1.00 14.32 C ATOM 1037 O GLY A 68 -11.415 1.129 1.859 1.00 41.14 O ATOM 0 H GLY A 68 -7.373 0.664 0.324 1.00 24.32 H new ATOM 0 HA2 GLY A 68 -9.186 -0.536 0.882 1.00 53.44 H new ATOM 0 HA3 GLY A 68 -9.106 0.268 2.437 1.00 53.44 H new ATOM 1041 N SER A 69 -10.538 1.811 -0.099 1.00 32.44 N ATOM 1042 CA SER A 69 -11.732 2.545 -0.503 1.00 65.43 C ATOM 1043 C SER A 69 -12.820 1.589 -0.984 1.00 0.54 C ATOM 1044 O SER A 69 -14.006 1.914 -0.949 1.00 50.44 O ATOM 1045 CB SER A 69 -11.390 3.545 -1.610 1.00 32.34 C ATOM 1046 OG SER A 69 -10.863 2.886 -2.748 1.00 22.31 O ATOM 0 H SER A 69 -9.773 1.845 -0.773 1.00 32.44 H new ATOM 0 HA SER A 69 -12.107 3.088 0.365 1.00 65.43 H new ATOM 0 HB2 SER A 69 -12.284 4.102 -1.890 1.00 32.34 H new ATOM 0 HB3 SER A 69 -10.666 4.270 -1.238 1.00 32.34 H new ATOM 0 HG SER A 69 -9.951 2.582 -2.557 1.00 22.31 H new ATOM 1052 N GLY A 70 -12.406 0.408 -1.432 1.00 33.11 N ATOM 1053 CA GLY A 70 -13.357 -0.577 -1.913 1.00 71.12 C ATOM 1054 C GLY A 70 -13.401 -0.650 -3.427 1.00 3.43 C ATOM 1055 O GLY A 70 -14.353 -1.175 -4.004 1.00 52.01 O ATOM 0 H GLY A 70 -11.430 0.116 -1.470 1.00 33.11 H new ATOM 0 HA2 GLY A 70 -13.095 -1.556 -1.513 1.00 71.12 H new ATOM 0 HA3 GLY A 70 -14.350 -0.334 -1.535 1.00 71.12 H new ATOM 1059 N THR A 71 -12.367 -0.119 -4.073 1.00 72.12 N ATOM 1060 CA THR A 71 -12.292 -0.123 -5.529 1.00 34.23 C ATOM 1061 C THR A 71 -10.844 -0.135 -6.005 1.00 33.23 C ATOM 1062 O THR A 71 -9.958 0.405 -5.343 1.00 11.41 O ATOM 1063 CB THR A 71 -13.009 1.100 -6.131 1.00 61.14 C ATOM 1064 OG1 THR A 71 -12.498 2.304 -5.548 1.00 71.30 O ATOM 1065 CG2 THR A 71 -14.510 1.016 -5.900 1.00 72.24 C ATOM 0 H THR A 71 -11.570 0.319 -3.611 1.00 72.12 H new ATOM 0 HA THR A 71 -12.790 -1.031 -5.869 1.00 34.23 H new ATOM 0 HB THR A 71 -12.823 1.110 -7.205 1.00 61.14 H new ATOM 0 HG1 THR A 71 -12.958 3.077 -5.937 1.00 71.30 H new ATOM 0 HG21 THR A 71 -14.994 1.891 -6.334 1.00 72.24 H new ATOM 0 HG22 THR A 71 -14.901 0.114 -6.371 1.00 72.24 H new ATOM 0 HG23 THR A 71 -14.712 0.983 -4.829 1.00 72.24 H new ATOM 1073 N VAL A 72 -10.610 -0.755 -7.157 1.00 52.44 N ATOM 1074 CA VAL A 72 -9.269 -0.835 -7.723 1.00 61.33 C ATOM 1075 C VAL A 72 -9.014 0.309 -8.698 1.00 71.32 C ATOM 1076 O VAL A 72 -9.777 0.515 -9.642 1.00 42.03 O ATOM 1077 CB VAL A 72 -9.046 -2.174 -8.451 1.00 34.51 C ATOM 1078 CG1 VAL A 72 -8.016 -2.016 -9.559 1.00 12.34 C ATOM 1079 CG2 VAL A 72 -8.620 -3.251 -7.465 1.00 23.50 C ATOM 0 H VAL A 72 -11.332 -1.209 -7.717 1.00 52.44 H new ATOM 0 HA VAL A 72 -8.570 -0.761 -6.890 1.00 61.33 H new ATOM 0 HB VAL A 72 -9.988 -2.481 -8.906 1.00 34.51 H new ATOM 0 HG11 VAL A 72 -7.872 -2.973 -10.061 1.00 12.34 H new ATOM 0 HG12 VAL A 72 -8.367 -1.277 -10.279 1.00 12.34 H new ATOM 0 HG13 VAL A 72 -7.070 -1.685 -9.131 1.00 12.34 H new ATOM 0 HG21 VAL A 72 -8.467 -4.190 -7.996 1.00 23.50 H new ATOM 0 HG22 VAL A 72 -7.691 -2.953 -6.980 1.00 23.50 H new ATOM 0 HG23 VAL A 72 -9.397 -3.383 -6.712 1.00 23.50 H new ATOM 1089 N ASP A 73 -7.937 1.050 -8.464 1.00 23.55 N ATOM 1090 CA ASP A 73 -7.579 2.173 -9.322 1.00 72.21 C ATOM 1091 C ASP A 73 -6.534 1.758 -10.353 1.00 22.13 C ATOM 1092 O ASP A 73 -6.099 0.606 -10.383 1.00 15.32 O ATOM 1093 CB ASP A 73 -7.051 3.337 -8.482 1.00 33.30 C ATOM 1094 CG ASP A 73 -7.457 4.686 -9.042 1.00 71.21 C ATOM 1095 OD1 ASP A 73 -8.588 5.130 -8.757 1.00 14.34 O ATOM 1096 OD2 ASP A 73 -6.644 5.297 -9.767 1.00 25.24 O ATOM 0 H ASP A 73 -7.296 0.893 -7.686 1.00 23.55 H new ATOM 0 HA ASP A 73 -8.476 2.495 -9.850 1.00 72.21 H new ATOM 0 HB2 ASP A 73 -7.423 3.243 -7.462 1.00 33.30 H new ATOM 0 HB3 ASP A 73 -5.964 3.280 -8.431 1.00 33.30 H new ATOM 1101 N PHE A 74 -6.135 2.703 -11.197 1.00 3.52 N ATOM 1102 CA PHE A 74 -5.142 2.436 -12.231 1.00 23.13 C ATOM 1103 C PHE A 74 -3.823 1.979 -11.613 1.00 52.11 C ATOM 1104 O PHE A 74 -3.133 1.120 -12.162 1.00 42.22 O ATOM 1105 CB PHE A 74 -4.913 3.686 -13.083 1.00 64.53 C ATOM 1106 CG PHE A 74 -3.913 3.484 -14.186 1.00 24.03 C ATOM 1107 CD1 PHE A 74 -3.792 2.254 -14.813 1.00 42.51 C ATOM 1108 CD2 PHE A 74 -3.094 4.524 -14.595 1.00 42.10 C ATOM 1109 CE1 PHE A 74 -2.872 2.066 -15.827 1.00 42.32 C ATOM 1110 CE2 PHE A 74 -2.172 4.342 -15.609 1.00 32.11 C ATOM 1111 CZ PHE A 74 -2.062 3.112 -16.226 1.00 61.55 C ATOM 0 H PHE A 74 -6.484 3.661 -11.185 1.00 3.52 H new ATOM 0 HA PHE A 74 -5.522 1.636 -12.867 1.00 23.13 H new ATOM 0 HB2 PHE A 74 -5.863 3.999 -13.517 1.00 64.53 H new ATOM 0 HB3 PHE A 74 -4.573 4.498 -12.439 1.00 64.53 H new ATOM 0 HD1 PHE A 74 -4.424 1.433 -14.506 1.00 42.51 H new ATOM 0 HD2 PHE A 74 -3.177 5.488 -14.116 1.00 42.10 H new ATOM 0 HE1 PHE A 74 -2.786 1.102 -16.307 1.00 42.32 H new ATOM 0 HE2 PHE A 74 -1.539 5.161 -15.918 1.00 32.11 H new ATOM 0 HZ PHE A 74 -1.344 2.967 -17.020 1.00 61.55 H new ATOM 1121 N ASP A 75 -3.480 2.560 -10.469 1.00 34.13 N ATOM 1122 CA ASP A 75 -2.245 2.213 -9.775 1.00 54.11 C ATOM 1123 C ASP A 75 -2.320 0.800 -9.206 1.00 72.41 C ATOM 1124 O ASP A 75 -1.477 -0.045 -9.505 1.00 43.21 O ATOM 1125 CB ASP A 75 -1.967 3.214 -8.653 1.00 15.05 C ATOM 1126 CG ASP A 75 -1.743 4.620 -9.173 1.00 11.10 C ATOM 1127 OD1 ASP A 75 -2.718 5.239 -9.649 1.00 23.23 O ATOM 1128 OD2 ASP A 75 -0.593 5.102 -9.105 1.00 64.34 O ATOM 0 H ASP A 75 -4.040 3.274 -10.002 1.00 34.13 H new ATOM 0 HA ASP A 75 -1.429 2.252 -10.496 1.00 54.11 H new ATOM 0 HB2 ASP A 75 -2.806 3.217 -7.957 1.00 15.05 H new ATOM 0 HB3 ASP A 75 -1.089 2.893 -8.093 1.00 15.05 H new ATOM 1133 N GLU A 76 -3.335 0.551 -8.384 1.00 70.12 N ATOM 1134 CA GLU A 76 -3.518 -0.760 -7.772 1.00 62.02 C ATOM 1135 C GLU A 76 -3.755 -1.829 -8.836 1.00 3.44 C ATOM 1136 O GLU A 76 -3.400 -2.993 -8.650 1.00 42.45 O ATOM 1137 CB GLU A 76 -4.693 -0.731 -6.792 1.00 43.34 C ATOM 1138 CG GLU A 76 -4.556 0.327 -5.710 1.00 32.21 C ATOM 1139 CD GLU A 76 -5.887 0.942 -5.324 1.00 53.35 C ATOM 1140 OE1 GLU A 76 -6.924 0.266 -5.488 1.00 20.21 O ATOM 1141 OE2 GLU A 76 -5.892 2.101 -4.859 1.00 3.30 O ATOM 0 H GLU A 76 -4.042 1.239 -8.127 1.00 70.12 H new ATOM 0 HA GLU A 76 -2.607 -1.009 -7.228 1.00 62.02 H new ATOM 0 HB2 GLU A 76 -5.614 -0.554 -7.347 1.00 43.34 H new ATOM 0 HB3 GLU A 76 -4.787 -1.710 -6.322 1.00 43.34 H new ATOM 0 HG2 GLU A 76 -4.096 -0.118 -4.828 1.00 32.21 H new ATOM 0 HG3 GLU A 76 -3.884 1.112 -6.058 1.00 32.21 H new ATOM 1148 N TRP A 77 -4.357 -1.424 -9.948 1.00 21.10 N ATOM 1149 CA TRP A 77 -4.642 -2.346 -11.041 1.00 72.52 C ATOM 1150 C TRP A 77 -3.358 -2.770 -11.745 1.00 62.30 C ATOM 1151 O TRP A 77 -3.219 -3.919 -12.166 1.00 70.51 O ATOM 1152 CB TRP A 77 -5.599 -1.700 -12.045 1.00 21.25 C ATOM 1153 CG TRP A 77 -6.044 -2.635 -13.128 1.00 21.30 C ATOM 1154 CD1 TRP A 77 -7.245 -3.280 -13.212 1.00 52.42 C ATOM 1155 CD2 TRP A 77 -5.292 -3.032 -14.280 1.00 0.00 C ATOM 1156 NE1 TRP A 77 -7.285 -4.053 -14.347 1.00 52.03 N ATOM 1157 CE2 TRP A 77 -6.100 -3.918 -15.020 1.00 3.31 C ATOM 1158 CE3 TRP A 77 -4.016 -2.724 -14.760 1.00 12.34 C ATOM 1159 CZ2 TRP A 77 -5.671 -4.497 -16.211 1.00 24.20 C ATOM 1160 CZ3 TRP A 77 -3.592 -3.300 -15.942 1.00 2.13 C ATOM 1161 CH2 TRP A 77 -4.417 -4.178 -16.657 1.00 50.21 C ATOM 0 H TRP A 77 -4.657 -0.464 -10.117 1.00 21.10 H new ATOM 0 HA TRP A 77 -5.113 -3.234 -10.620 1.00 72.52 H new ATOM 0 HB2 TRP A 77 -6.475 -1.328 -11.513 1.00 21.25 H new ATOM 0 HB3 TRP A 77 -5.111 -0.837 -12.498 1.00 21.25 H new ATOM 0 HD1 TRP A 77 -8.046 -3.195 -12.492 1.00 52.42 H new ATOM 0 HE1 TRP A 77 -8.070 -4.634 -14.641 1.00 52.03 H new ATOM 0 HE3 TRP A 77 -3.373 -2.048 -14.217 1.00 12.34 H new ATOM 0 HZ2 TRP A 77 -6.305 -5.174 -16.764 1.00 24.20 H new ATOM 0 HZ3 TRP A 77 -2.607 -3.069 -16.321 1.00 2.13 H new ATOM 0 HH2 TRP A 77 -4.056 -4.612 -17.578 1.00 50.21 H new ATOM 1172 N LEU A 78 -2.421 -1.837 -11.870 1.00 0.24 N ATOM 1173 CA LEU A 78 -1.146 -2.114 -12.523 1.00 35.31 C ATOM 1174 C LEU A 78 -0.295 -3.056 -11.678 1.00 31.33 C ATOM 1175 O LEU A 78 0.241 -4.044 -12.180 1.00 31.54 O ATOM 1176 CB LEU A 78 -0.387 -0.811 -12.777 1.00 23.21 C ATOM 1177 CG LEU A 78 0.188 -0.632 -14.182 1.00 60.35 C ATOM 1178 CD1 LEU A 78 0.721 0.780 -14.365 1.00 41.24 C ATOM 1179 CD2 LEU A 78 1.283 -1.656 -14.445 1.00 41.22 C ATOM 0 H LEU A 78 -2.520 -0.881 -11.528 1.00 0.24 H new ATOM 0 HA LEU A 78 -1.352 -2.599 -13.477 1.00 35.31 H new ATOM 0 HB2 LEU A 78 -1.058 0.023 -12.572 1.00 23.21 H new ATOM 0 HB3 LEU A 78 0.431 -0.745 -12.060 1.00 23.21 H new ATOM 0 HG LEU A 78 -0.613 -0.792 -14.904 1.00 60.35 H new ATOM 0 HD11 LEU A 78 1.126 0.888 -15.371 1.00 41.24 H new ATOM 0 HD12 LEU A 78 -0.088 1.496 -14.221 1.00 41.24 H new ATOM 0 HD13 LEU A 78 1.508 0.969 -13.635 1.00 41.24 H new ATOM 0 HD21 LEU A 78 1.681 -1.514 -15.450 1.00 41.22 H new ATOM 0 HD22 LEU A 78 2.084 -1.528 -13.716 1.00 41.22 H new ATOM 0 HD23 LEU A 78 0.870 -2.661 -14.357 1.00 41.22 H new ATOM 1191 N VAL A 79 -0.176 -2.745 -10.391 1.00 15.40 N ATOM 1192 CA VAL A 79 0.607 -3.565 -9.475 1.00 12.23 C ATOM 1193 C VAL A 79 0.041 -4.977 -9.381 1.00 32.32 C ATOM 1194 O VAL A 79 0.778 -5.939 -9.164 1.00 14.20 O ATOM 1195 CB VAL A 79 0.650 -2.946 -8.065 1.00 22.22 C ATOM 1196 CG1 VAL A 79 1.412 -1.630 -8.082 1.00 51.34 C ATOM 1197 CG2 VAL A 79 -0.759 -2.749 -7.526 1.00 61.24 C ATOM 0 H VAL A 79 -0.612 -1.930 -9.959 1.00 15.40 H new ATOM 0 HA VAL A 79 1.620 -3.609 -9.876 1.00 12.23 H new ATOM 0 HB VAL A 79 1.175 -3.633 -7.402 1.00 22.22 H new ATOM 0 HG11 VAL A 79 1.432 -1.208 -7.077 1.00 51.34 H new ATOM 0 HG12 VAL A 79 2.433 -1.805 -8.422 1.00 51.34 H new ATOM 0 HG13 VAL A 79 0.919 -0.933 -8.759 1.00 51.34 H new ATOM 0 HG21 VAL A 79 -0.709 -2.311 -6.529 1.00 61.24 H new ATOM 0 HG22 VAL A 79 -1.312 -2.083 -8.188 1.00 61.24 H new ATOM 0 HG23 VAL A 79 -1.267 -3.712 -7.474 1.00 61.24 H new ATOM 1207 N MET A 80 -1.273 -5.095 -9.546 1.00 44.31 N ATOM 1208 CA MET A 80 -1.938 -6.391 -9.482 1.00 3.04 C ATOM 1209 C MET A 80 -1.259 -7.397 -10.406 1.00 50.31 C ATOM 1210 O MET A 80 -0.827 -8.463 -9.968 1.00 51.43 O ATOM 1211 CB MET A 80 -3.414 -6.250 -9.858 1.00 21.00 C ATOM 1212 CG MET A 80 -4.351 -6.274 -8.661 1.00 50.34 C ATOM 1213 SD MET A 80 -6.008 -6.843 -9.088 1.00 22.10 S ATOM 1214 CE MET A 80 -6.286 -5.958 -10.620 1.00 50.10 C ATOM 0 H MET A 80 -1.898 -4.309 -9.725 1.00 44.31 H new ATOM 0 HA MET A 80 -1.865 -6.759 -8.458 1.00 3.04 H new ATOM 0 HB2 MET A 80 -3.555 -5.315 -10.400 1.00 21.00 H new ATOM 0 HB3 MET A 80 -3.686 -7.057 -10.538 1.00 21.00 H new ATOM 0 HG2 MET A 80 -3.935 -6.924 -7.892 1.00 50.34 H new ATOM 0 HG3 MET A 80 -4.414 -5.273 -8.233 1.00 50.34 H new ATOM 0 HE1 MET A 80 -7.287 -6.179 -10.991 1.00 50.10 H new ATOM 0 HE2 MET A 80 -6.192 -4.886 -10.443 1.00 50.10 H new ATOM 0 HE3 MET A 80 -5.548 -6.270 -11.359 1.00 50.10 H new ATOM 1224 N MET A 81 -1.169 -7.050 -11.686 1.00 71.40 N ATOM 1225 CA MET A 81 -0.542 -7.924 -12.671 1.00 40.43 C ATOM 1226 C MET A 81 0.954 -8.058 -12.405 1.00 10.31 C ATOM 1227 O MET A 81 1.535 -9.125 -12.597 1.00 72.52 O ATOM 1228 CB MET A 81 -0.774 -7.384 -14.084 1.00 2.42 C ATOM 1229 CG MET A 81 -0.426 -5.912 -14.236 1.00 55.33 C ATOM 1230 SD MET A 81 -0.407 -5.377 -15.958 1.00 60.43 S ATOM 1231 CE MET A 81 -1.613 -6.493 -16.673 1.00 4.14 C ATOM 0 H MET A 81 -1.522 -6.171 -12.065 1.00 71.40 H new ATOM 0 HA MET A 81 -0.998 -8.911 -12.587 1.00 40.43 H new ATOM 0 HB2 MET A 81 -0.178 -7.965 -14.788 1.00 2.42 H new ATOM 0 HB3 MET A 81 -1.820 -7.532 -14.354 1.00 2.42 H new ATOM 0 HG2 MET A 81 -1.148 -5.313 -13.681 1.00 55.33 H new ATOM 0 HG3 MET A 81 0.551 -5.726 -13.791 1.00 55.33 H new ATOM 0 HE1 MET A 81 -1.885 -6.145 -17.669 1.00 4.14 H new ATOM 0 HE2 MET A 81 -1.187 -7.494 -16.742 1.00 4.14 H new ATOM 0 HE3 MET A 81 -2.502 -6.520 -16.043 1.00 4.14 H new ATOM 1241 N ALA A 82 1.572 -6.968 -11.962 1.00 14.34 N ATOM 1242 CA ALA A 82 2.999 -6.965 -11.667 1.00 43.15 C ATOM 1243 C ALA A 82 3.348 -8.028 -10.632 1.00 24.04 C ATOM 1244 O ALA A 82 4.450 -8.577 -10.639 1.00 3.02 O ATOM 1245 CB ALA A 82 3.436 -5.590 -11.183 1.00 74.03 C ATOM 0 H ALA A 82 1.106 -6.075 -11.800 1.00 14.34 H new ATOM 0 HA ALA A 82 3.535 -7.201 -12.586 1.00 43.15 H new ATOM 0 HB1 ALA A 82 4.504 -5.603 -10.967 1.00 74.03 H new ATOM 0 HB2 ALA A 82 3.232 -4.850 -11.957 1.00 74.03 H new ATOM 0 HB3 ALA A 82 2.886 -5.331 -10.279 1.00 74.03 H new ATOM 1251 N ARG A 83 2.404 -8.313 -9.742 1.00 35.24 N ATOM 1252 CA ARG A 83 2.613 -9.310 -8.698 1.00 54.40 C ATOM 1253 C ARG A 83 2.671 -10.714 -9.291 1.00 62.23 C ATOM 1254 O ARG A 83 3.266 -11.621 -8.708 1.00 3.02 O ATOM 1255 CB ARG A 83 1.495 -9.231 -7.656 1.00 50.45 C ATOM 1256 CG ARG A 83 1.598 -8.020 -6.743 1.00 62.11 C ATOM 1257 CD ARG A 83 0.609 -8.106 -5.591 1.00 42.51 C ATOM 1258 NE ARG A 83 -0.670 -7.483 -5.921 1.00 32.02 N ATOM 1259 CZ ARG A 83 -0.895 -6.176 -5.838 1.00 64.32 C ATOM 1260 NH1 ARG A 83 0.070 -5.359 -5.439 1.00 51.42 N ATOM 1261 NH2 ARG A 83 -2.086 -5.685 -6.156 1.00 24.15 N ATOM 0 H ARG A 83 1.486 -7.868 -9.722 1.00 35.24 H new ATOM 0 HA ARG A 83 3.567 -9.098 -8.215 1.00 54.40 H new ATOM 0 HB2 ARG A 83 0.533 -9.208 -8.168 1.00 50.45 H new ATOM 0 HB3 ARG A 83 1.511 -10.136 -7.049 1.00 50.45 H new ATOM 0 HG2 ARG A 83 2.612 -7.945 -6.349 1.00 62.11 H new ATOM 0 HG3 ARG A 83 1.411 -7.113 -7.318 1.00 62.11 H new ATOM 0 HD2 ARG A 83 0.446 -9.152 -5.330 1.00 42.51 H new ATOM 0 HD3 ARG A 83 1.033 -7.620 -4.712 1.00 42.51 H new ATOM 0 HE ARG A 83 -1.433 -8.084 -6.232 1.00 32.02 H new ATOM 0 HH11 ARG A 83 0.987 -5.733 -5.195 1.00 51.42 H new ATOM 0 HH12 ARG A 83 -0.105 -4.356 -5.376 1.00 51.42 H new ATOM 0 HH21 ARG A 83 -2.830 -6.311 -6.464 1.00 24.15 H new ATOM 0 HH22 ARG A 83 -2.258 -4.682 -6.092 1.00 24.15 H new ATOM 1275 N CYS A 84 2.050 -10.886 -10.453 1.00 31.53 N ATOM 1276 CA CYS A 84 2.030 -12.181 -11.125 1.00 31.05 C ATOM 1277 C CYS A 84 3.411 -12.534 -11.667 1.00 2.35 C ATOM 1278 O CYS A 84 3.679 -13.685 -12.010 1.00 54.31 O ATOM 1279 CB CYS A 84 1.009 -12.172 -12.263 1.00 71.32 C ATOM 1280 SG CYS A 84 0.352 -13.805 -12.678 1.00 14.22 S ATOM 0 H CYS A 84 1.554 -10.146 -10.949 1.00 31.53 H new ATOM 0 HA CYS A 84 1.743 -12.937 -10.395 1.00 31.05 H new ATOM 0 HB2 CYS A 84 0.181 -11.518 -11.989 1.00 71.32 H new ATOM 0 HB3 CYS A 84 1.474 -11.743 -13.151 1.00 71.32 H new ATOM 0 HG CYS A 84 -0.505 -13.694 -13.650 1.00 14.22 H new ATOM 1286 N MET A 85 4.284 -11.535 -11.742 1.00 5.35 N ATOM 1287 CA MET A 85 5.639 -11.740 -12.243 1.00 14.24 C ATOM 1288 C MET A 85 6.494 -12.472 -11.213 1.00 40.43 C ATOM 1289 O MET A 85 7.459 -13.152 -11.563 1.00 53.13 O ATOM 1290 CB MET A 85 6.283 -10.398 -12.597 1.00 72.22 C ATOM 1291 CG MET A 85 6.972 -9.725 -11.421 1.00 60.43 C ATOM 1292 SD MET A 85 7.319 -7.982 -11.725 1.00 25.35 S ATOM 1293 CE MET A 85 8.692 -8.105 -12.868 1.00 45.32 C ATOM 0 H MET A 85 4.078 -10.576 -11.463 1.00 5.35 H new ATOM 0 HA MET A 85 5.579 -12.354 -13.142 1.00 14.24 H new ATOM 0 HB2 MET A 85 7.011 -10.553 -13.394 1.00 72.22 H new ATOM 0 HB3 MET A 85 5.517 -9.729 -12.990 1.00 72.22 H new ATOM 0 HG2 MET A 85 6.344 -9.817 -10.535 1.00 60.43 H new ATOM 0 HG3 MET A 85 7.905 -10.245 -11.205 1.00 60.43 H new ATOM 0 HE1 MET A 85 8.577 -7.361 -13.656 1.00 45.32 H new ATOM 0 HE2 MET A 85 9.626 -7.928 -12.335 1.00 45.32 H new ATOM 0 HE3 MET A 85 8.710 -9.101 -13.310 1.00 45.32 H new ATOM 1303 N LYS A 86 6.135 -12.327 -9.942 1.00 60.42 N ATOM 1304 CA LYS A 86 6.869 -12.975 -8.861 1.00 74.13 C ATOM 1305 C LYS A 86 6.605 -14.477 -8.849 1.00 21.53 C ATOM 1306 O LYS A 86 7.375 -15.247 -8.274 1.00 32.42 O ATOM 1307 CB LYS A 86 6.475 -12.366 -7.514 1.00 32.34 C ATOM 1308 CG LYS A 86 6.914 -13.196 -6.320 1.00 3.13 C ATOM 1309 CD LYS A 86 5.828 -14.164 -5.883 1.00 72.32 C ATOM 1310 CE LYS A 86 5.355 -13.870 -4.468 1.00 33.21 C ATOM 1311 NZ LYS A 86 3.995 -14.420 -4.212 1.00 73.41 N ATOM 0 H LYS A 86 5.340 -11.766 -9.635 1.00 60.42 H new ATOM 0 HA LYS A 86 7.934 -12.813 -9.029 1.00 74.13 H new ATOM 0 HB2 LYS A 86 6.911 -11.370 -7.434 1.00 32.34 H new ATOM 0 HB3 LYS A 86 5.392 -12.244 -7.483 1.00 32.34 H new ATOM 0 HG2 LYS A 86 7.817 -13.752 -6.574 1.00 3.13 H new ATOM 0 HG3 LYS A 86 7.169 -12.536 -5.491 1.00 3.13 H new ATOM 0 HD2 LYS A 86 4.984 -14.100 -6.570 1.00 72.32 H new ATOM 0 HD3 LYS A 86 6.206 -15.185 -5.936 1.00 72.32 H new ATOM 0 HE2 LYS A 86 6.059 -14.296 -3.754 1.00 33.21 H new ATOM 0 HE3 LYS A 86 5.348 -12.792 -4.304 1.00 33.21 H new ATOM 0 HZ1 LYS A 86 3.709 -14.199 -3.237 1.00 73.41 H new ATOM 0 HZ2 LYS A 86 3.318 -13.995 -4.877 1.00 73.41 H new ATOM 0 HZ3 LYS A 86 4.007 -15.452 -4.343 1.00 73.41 H new ATOM 1325 N ASP A 87 5.515 -14.887 -9.487 1.00 34.50 N ATOM 1326 CA ASP A 87 5.151 -16.298 -9.551 1.00 63.43 C ATOM 1327 C ASP A 87 6.023 -17.038 -10.561 1.00 21.51 C ATOM 1328 O ASP A 87 5.715 -17.076 -11.752 1.00 60.13 O ATOM 1329 CB ASP A 87 3.676 -16.451 -9.924 1.00 51.55 C ATOM 1330 CG ASP A 87 3.117 -17.804 -9.534 1.00 74.50 C ATOM 1331 OD1 ASP A 87 3.014 -18.077 -8.319 1.00 40.53 O ATOM 1332 OD2 ASP A 87 2.781 -18.592 -10.443 1.00 53.31 O ATOM 0 H ASP A 87 4.867 -14.262 -9.968 1.00 34.50 H new ATOM 0 HA ASP A 87 5.315 -16.735 -8.566 1.00 63.43 H new ATOM 0 HB2 ASP A 87 3.097 -15.668 -9.435 1.00 51.55 H new ATOM 0 HB3 ASP A 87 3.560 -16.309 -10.998 1.00 51.55 H new ATOM 1337 N ASP A 88 7.112 -17.625 -10.077 1.00 4.44 N ATOM 1338 CA ASP A 88 8.029 -18.364 -10.937 1.00 4.25 C ATOM 1339 C ASP A 88 8.571 -19.597 -10.220 1.00 71.14 C ATOM 1340 O ASP A 88 8.732 -19.598 -9.000 1.00 52.11 O ATOM 1341 CB ASP A 88 9.186 -17.465 -11.376 1.00 62.13 C ATOM 1342 CG ASP A 88 9.861 -17.966 -12.638 1.00 23.21 C ATOM 1343 OD1 ASP A 88 10.709 -18.877 -12.535 1.00 21.01 O ATOM 1344 OD2 ASP A 88 9.543 -17.447 -13.728 1.00 55.12 O ATOM 0 H ASP A 88 7.381 -17.603 -9.093 1.00 4.44 H new ATOM 0 HA ASP A 88 7.478 -18.691 -11.819 1.00 4.25 H new ATOM 0 HB2 ASP A 88 8.814 -16.454 -11.543 1.00 62.13 H new ATOM 0 HB3 ASP A 88 9.921 -17.405 -10.573 1.00 62.13 H new ATOM 1349 N SER A 89 8.849 -20.646 -10.988 1.00 22.22 N ATOM 1350 CA SER A 89 9.368 -21.888 -10.426 1.00 50.11 C ATOM 1351 C SER A 89 8.370 -22.501 -9.448 1.00 52.44 C ATOM 1352 O SER A 89 8.671 -23.528 -8.843 1.00 62.35 O ATOM 1353 CB SER A 89 10.701 -21.635 -9.720 1.00 24.10 C ATOM 1354 OG SER A 89 11.414 -22.845 -9.527 1.00 14.11 O ATOM 0 H SER A 89 8.724 -20.661 -12.000 1.00 22.22 H new ATOM 0 HA SER A 89 9.526 -22.590 -11.245 1.00 50.11 H new ATOM 0 HB2 SER A 89 11.303 -20.945 -10.310 1.00 24.10 H new ATOM 0 HB3 SER A 89 10.521 -21.158 -8.757 1.00 24.10 H new ATOM 0 HG SER A 89 10.800 -23.540 -9.210 1.00 14.11 H new TER 1360 SER A 89 HETATM 1361 CA CA A 90 -8.626 2.114 -4.246 1.00 5.14 CA