USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 612 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 Single : A 1 MET CE :methyl -110:sc= -0.84 (180deg=-4.39!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.585 K(o=-0.58,f=-3!) USER MOD Single : A 9 SER OG : rot 129:sc= 0.267 USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 22 MET CE :methyl -141:sc= -1.18 (180deg=-2.45!) USER MOD Single : A 23 CYS SG : rot 180:sc= -0.55 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0.518 K(o=0.52,f=0.012) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 CYS SG : rot 64:sc= 0.243 USER MOD Single : A 36 LYS NZ :NH3+ -154:sc= -0.0389 (180deg=-0.477) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 94:sc= 1.04 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -151:sc= 0.166 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -90:sc= -0.89 USER MOD Single : A 62 GLN : amide:sc= -0.349 X(o=-0.35,f=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0857 X(o=-0.086,f=-0.33) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -57:sc= 0.45 USER MOD Single : A 75 HIS :FLIP no HE2:sc= -0.399 F(o=-1.4,f=-0.4) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.962 7.421 -6.440 1.00 0.00 N ATOM 2 CA MET A 1 -3.972 6.094 -5.769 1.00 0.00 C ATOM 3 C MET A 1 -4.139 6.240 -4.261 1.00 0.00 C ATOM 4 O MET A 1 -3.851 7.293 -3.694 1.00 0.00 O ATOM 5 CB MET A 1 -2.658 5.378 -6.089 1.00 0.00 C ATOM 6 CG MET A 1 -2.789 3.865 -6.149 1.00 0.00 C ATOM 7 SD MET A 1 -1.576 3.107 -7.247 1.00 0.00 S ATOM 8 CE MET A 1 -2.212 1.436 -7.352 1.00 0.00 C ATOM 0 H1 MET A 1 -3.847 7.291 -7.465 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.859 7.912 -6.252 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.173 7.990 -6.073 1.00 0.00 H new ATOM 0 HA MET A 1 -4.817 5.512 -6.137 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.280 5.740 -7.045 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.917 5.641 -5.334 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.673 3.454 -5.146 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.792 3.604 -6.486 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.542 0.758 -6.823 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.202 1.394 -6.899 1.00 0.00 H new ATOM 0 HE3 MET A 1 -2.279 1.137 -8.398 1.00 0.00 H new ATOM 20 N ARG A 2 -4.607 5.176 -3.618 1.00 0.00 N ATOM 21 CA ARG A 2 -4.815 5.184 -2.173 1.00 0.00 C ATOM 22 C ARG A 2 -4.294 3.897 -1.541 1.00 0.00 C ATOM 23 O ARG A 2 -4.365 2.828 -2.143 1.00 0.00 O ATOM 24 CB ARG A 2 -6.301 5.359 -1.851 1.00 0.00 C ATOM 25 CG ARG A 2 -6.954 6.514 -2.594 1.00 0.00 C ATOM 26 CD ARG A 2 -7.982 6.023 -3.601 1.00 0.00 C ATOM 27 NE ARG A 2 -9.285 5.787 -2.984 1.00 0.00 N ATOM 28 CZ ARG A 2 -10.150 6.754 -2.686 1.00 0.00 C ATOM 29 NH1 ARG A 2 -9.856 8.020 -2.950 1.00 0.00 N ATOM 30 NH2 ARG A 2 -11.313 6.453 -2.124 1.00 0.00 N ATOM 0 H ARG A 2 -4.850 4.296 -4.074 1.00 0.00 H new ATOM 0 HA ARG A 2 -4.259 6.023 -1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -6.828 4.437 -2.095 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -6.415 5.517 -0.779 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -7.435 7.182 -1.879 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.189 7.095 -3.109 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -8.087 6.758 -4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -7.627 5.101 -4.061 1.00 0.00 H new ATOM 0 HE ARG A 2 -9.547 4.825 -2.769 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.964 8.257 -3.383 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -10.522 8.757 -2.720 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -11.544 5.481 -1.920 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -11.976 7.194 -1.896 1.00 0.00 H new ATOM 44 N ILE A 3 -3.774 4.011 -0.320 1.00 0.00 N ATOM 45 CA ILE A 3 -3.237 2.861 0.410 1.00 0.00 C ATOM 46 C ILE A 3 -4.146 1.641 0.281 1.00 0.00 C ATOM 47 O ILE A 3 -3.679 0.503 0.312 1.00 0.00 O ATOM 48 CB ILE A 3 -3.044 3.198 1.904 1.00 0.00 C ATOM 49 CG1 ILE A 3 -2.396 2.019 2.651 1.00 0.00 C ATOM 50 CG2 ILE A 3 -4.373 3.594 2.535 1.00 0.00 C ATOM 51 CD1 ILE A 3 -3.383 1.048 3.271 1.00 0.00 C ATOM 0 H ILE A 3 -3.713 4.893 0.188 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.270 2.625 -0.034 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.367 4.049 1.984 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.756 1.474 1.957 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.751 2.413 3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.220 3.829 3.588 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.773 4.469 2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.079 2.768 2.446 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.839 0.250 3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -4.008 1.575 3.992 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.012 0.621 2.490 1.00 0.00 H new ATOM 63 N ASP A 4 -5.443 1.884 0.136 1.00 0.00 N ATOM 64 CA ASP A 4 -6.410 0.802 0.004 1.00 0.00 C ATOM 65 C ASP A 4 -6.178 0.005 -1.278 1.00 0.00 C ATOM 66 O ASP A 4 -5.953 -1.200 -1.234 1.00 0.00 O ATOM 67 CB ASP A 4 -7.836 1.358 0.022 1.00 0.00 C ATOM 68 CG ASP A 4 -8.884 0.264 -0.054 1.00 0.00 C ATOM 69 OD1 ASP A 4 -8.879 -0.497 -1.044 1.00 0.00 O ATOM 70 OD2 ASP A 4 -9.711 0.169 0.879 1.00 0.00 O ATOM 0 H ASP A 4 -5.849 2.819 0.107 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.276 0.130 0.852 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.985 1.938 0.933 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -7.967 2.042 -0.817 1.00 0.00 H new ATOM 75 N LYS A 5 -6.247 0.684 -2.419 1.00 0.00 N ATOM 76 CA LYS A 5 -6.057 0.032 -3.713 1.00 0.00 C ATOM 77 C LYS A 5 -4.592 0.044 -4.157 1.00 0.00 C ATOM 78 O LYS A 5 -4.251 -0.526 -5.194 1.00 0.00 O ATOM 79 CB LYS A 5 -6.921 0.714 -4.775 1.00 0.00 C ATOM 80 CG LYS A 5 -8.332 0.153 -4.865 1.00 0.00 C ATOM 81 CD LYS A 5 -9.337 1.231 -5.233 1.00 0.00 C ATOM 82 CE LYS A 5 -9.742 2.052 -4.020 1.00 0.00 C ATOM 83 NZ LYS A 5 -10.742 3.100 -4.366 1.00 0.00 N ATOM 0 H LYS A 5 -6.433 1.685 -2.475 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.360 -1.009 -3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.976 1.780 -4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.436 0.612 -5.746 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -8.362 -0.643 -5.609 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.609 -0.293 -3.910 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.908 1.887 -5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -10.221 0.770 -5.674 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.157 1.393 -3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.858 2.522 -3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -10.992 3.637 -3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.338 3.745 -5.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -11.596 2.651 -4.754 1.00 0.00 H new ATOM 97 N PHE A 6 -3.731 0.705 -3.390 1.00 0.00 N ATOM 98 CA PHE A 6 -2.315 0.793 -3.737 1.00 0.00 C ATOM 99 C PHE A 6 -1.573 -0.513 -3.460 1.00 0.00 C ATOM 100 O PHE A 6 -1.050 -1.144 -4.378 1.00 0.00 O ATOM 101 CB PHE A 6 -1.651 1.936 -2.967 1.00 0.00 C ATOM 102 CG PHE A 6 -0.351 2.387 -3.567 1.00 0.00 C ATOM 103 CD1 PHE A 6 0.746 1.541 -3.596 1.00 0.00 C ATOM 104 CD2 PHE A 6 -0.225 3.658 -4.104 1.00 0.00 C ATOM 105 CE1 PHE A 6 1.943 1.954 -4.149 1.00 0.00 C ATOM 106 CE2 PHE A 6 0.969 4.077 -4.658 1.00 0.00 C ATOM 107 CZ PHE A 6 2.055 3.224 -4.680 1.00 0.00 C ATOM 0 H PHE A 6 -3.986 1.186 -2.528 1.00 0.00 H new ATOM 0 HA PHE A 6 -2.257 0.988 -4.808 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.336 2.783 -2.927 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -1.477 1.618 -1.939 1.00 0.00 H new ATOM 0 HD1 PHE A 6 0.664 0.547 -3.181 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.071 4.329 -4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.790 1.284 -4.166 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.053 5.070 -5.073 1.00 0.00 H new ATOM 0 HZ PHE A 6 2.990 3.549 -5.112 1.00 0.00 H new ATOM 117 N LEU A 7 -1.514 -0.902 -2.192 1.00 0.00 N ATOM 118 CA LEU A 7 -0.813 -2.121 -1.798 1.00 0.00 C ATOM 119 C LEU A 7 -1.686 -3.361 -1.965 1.00 0.00 C ATOM 120 O LEU A 7 -1.184 -4.486 -1.963 1.00 0.00 O ATOM 121 CB LEU A 7 -0.339 -2.008 -0.347 1.00 0.00 C ATOM 122 CG LEU A 7 -1.444 -1.763 0.683 1.00 0.00 C ATOM 123 CD1 LEU A 7 -2.040 -3.082 1.155 1.00 0.00 C ATOM 124 CD2 LEU A 7 -0.903 -0.968 1.862 1.00 0.00 C ATOM 0 H LEU A 7 -1.942 -0.393 -1.419 1.00 0.00 H new ATOM 0 HA LEU A 7 0.048 -2.232 -2.457 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.187 -2.925 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 7 0.384 -1.195 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.235 -1.182 0.208 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.824 -2.886 1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.463 -3.615 0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.260 -3.691 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -1.701 -0.802 2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.094 -1.524 2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.526 -0.007 1.511 1.00 0.00 H new ATOM 136 N GLN A 8 -2.989 -3.160 -2.104 1.00 0.00 N ATOM 137 CA GLN A 8 -3.916 -4.275 -2.263 1.00 0.00 C ATOM 138 C GLN A 8 -4.115 -4.633 -3.735 1.00 0.00 C ATOM 139 O GLN A 8 -4.545 -5.741 -4.056 1.00 0.00 O ATOM 140 CB GLN A 8 -5.260 -3.936 -1.621 1.00 0.00 C ATOM 141 CG GLN A 8 -5.147 -3.533 -0.158 1.00 0.00 C ATOM 142 CD GLN A 8 -6.500 -3.397 0.514 1.00 0.00 C ATOM 143 OE1 GLN A 8 -6.862 -2.322 0.991 1.00 0.00 O ATOM 144 NE2 GLN A 8 -7.254 -4.489 0.554 1.00 0.00 N ATOM 0 H GLN A 8 -3.428 -2.239 -2.110 1.00 0.00 H new ATOM 0 HA GLN A 8 -3.484 -5.142 -1.763 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.726 -3.124 -2.179 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.921 -4.799 -1.702 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.553 -4.276 0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.612 -2.586 -0.086 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.913 -5.359 0.146 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.174 -4.458 0.993 1.00 0.00 H new ATOM 153 N SER A 9 -3.809 -3.693 -4.627 1.00 0.00 N ATOM 154 CA SER A 9 -3.965 -3.927 -6.060 1.00 0.00 C ATOM 155 C SER A 9 -2.613 -4.078 -6.752 1.00 0.00 C ATOM 156 O SER A 9 -2.505 -3.897 -7.966 1.00 0.00 O ATOM 157 CB SER A 9 -4.751 -2.782 -6.701 1.00 0.00 C ATOM 158 OG SER A 9 -5.799 -2.343 -5.855 1.00 0.00 O ATOM 0 H SER A 9 -3.454 -2.768 -4.385 1.00 0.00 H new ATOM 0 HA SER A 9 -4.516 -4.859 -6.185 1.00 0.00 H new ATOM 0 HB2 SER A 9 -4.079 -1.950 -6.913 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.164 -3.110 -7.655 1.00 0.00 H new ATOM 0 HG SER A 9 -5.748 -1.370 -5.749 1.00 0.00 H new ATOM 164 N VAL A 10 -1.582 -4.414 -5.980 1.00 0.00 N ATOM 165 CA VAL A 10 -0.243 -4.591 -6.531 1.00 0.00 C ATOM 166 C VAL A 10 0.212 -6.044 -6.428 1.00 0.00 C ATOM 167 O VAL A 10 1.091 -6.482 -7.171 1.00 0.00 O ATOM 168 CB VAL A 10 0.787 -3.695 -5.816 1.00 0.00 C ATOM 169 CG1 VAL A 10 0.679 -2.260 -6.307 1.00 0.00 C ATOM 170 CG2 VAL A 10 0.603 -3.766 -4.309 1.00 0.00 C ATOM 0 H VAL A 10 -1.649 -4.569 -4.974 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.299 -4.303 -7.581 1.00 0.00 H new ATOM 0 HB VAL A 10 1.786 -4.061 -6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.414 -1.643 -5.791 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.867 -2.227 -7.380 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.322 -1.880 -6.103 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.339 -3.127 -3.822 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.400 -3.428 -4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.737 -4.795 -3.974 1.00 0.00 H new ATOM 180 N GLY A 11 -0.389 -6.787 -5.503 1.00 0.00 N ATOM 181 CA GLY A 11 -0.029 -8.180 -5.320 1.00 0.00 C ATOM 182 C GLY A 11 0.467 -8.468 -3.917 1.00 0.00 C ATOM 183 O GLY A 11 1.378 -9.274 -3.726 1.00 0.00 O ATOM 0 H GLY A 11 -1.119 -6.448 -4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -0.895 -8.807 -5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 11 0.745 -8.450 -6.039 1.00 0.00 H new ATOM 187 N LEU A 12 -0.133 -7.805 -2.933 1.00 0.00 N ATOM 188 CA LEU A 12 0.250 -7.989 -1.541 1.00 0.00 C ATOM 189 C LEU A 12 -0.944 -8.452 -0.713 1.00 0.00 C ATOM 190 O LEU A 12 -0.829 -9.359 0.112 1.00 0.00 O ATOM 191 CB LEU A 12 0.807 -6.682 -0.972 1.00 0.00 C ATOM 192 CG LEU A 12 2.324 -6.652 -0.780 1.00 0.00 C ATOM 193 CD1 LEU A 12 2.828 -5.217 -0.746 1.00 0.00 C ATOM 194 CD2 LEU A 12 2.714 -7.387 0.492 1.00 0.00 C ATOM 0 H LEU A 12 -0.888 -7.134 -3.077 1.00 0.00 H new ATOM 0 HA LEU A 12 1.023 -8.756 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.524 -5.865 -1.636 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.331 -6.490 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 12 2.789 -7.159 -1.625 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.909 -5.214 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.580 -4.722 -1.685 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.356 -4.685 0.080 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.797 -7.356 0.613 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.239 -6.909 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.386 -8.424 0.428 1.00 0.00 H new ATOM 206 N VAL A 13 -2.092 -7.821 -0.942 1.00 0.00 N ATOM 207 CA VAL A 13 -3.311 -8.163 -0.222 1.00 0.00 C ATOM 208 C VAL A 13 -4.444 -8.499 -1.188 1.00 0.00 C ATOM 209 O VAL A 13 -4.417 -8.101 -2.352 1.00 0.00 O ATOM 210 CB VAL A 13 -3.760 -7.012 0.698 1.00 0.00 C ATOM 211 CG1 VAL A 13 -4.959 -7.430 1.535 1.00 0.00 C ATOM 212 CG2 VAL A 13 -2.612 -6.561 1.589 1.00 0.00 C ATOM 0 H VAL A 13 -2.202 -7.069 -1.622 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.085 -9.038 0.387 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.059 -6.170 0.073 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.260 -6.603 2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.786 -7.698 0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.691 -8.289 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.948 -5.747 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.280 -7.397 2.205 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.785 -6.216 0.969 1.00 0.00 H new ATOM 337 N THR A 20 -11.901 -1.651 3.645 1.00 0.00 N ATOM 338 CA THR A 20 -10.852 -2.554 4.102 1.00 0.00 C ATOM 339 C THR A 20 -10.930 -2.758 5.612 1.00 0.00 C ATOM 340 O THR A 20 -11.748 -2.136 6.291 1.00 0.00 O ATOM 341 CB THR A 20 -9.476 -2.008 3.719 1.00 0.00 C ATOM 342 OG1 THR A 20 -8.456 -2.929 4.064 1.00 0.00 O ATOM 343 CG2 THR A 20 -9.151 -0.690 4.386 1.00 0.00 C ATOM 0 HA THR A 20 -11.000 -3.518 3.615 1.00 0.00 H new ATOM 0 HB THR A 20 -9.516 -1.852 2.641 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.584 -2.562 3.809 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.161 -0.358 4.072 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.892 0.056 4.099 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.165 -0.817 5.469 1.00 0.00 H new ATOM 351 N ASP A 21 -10.074 -3.631 6.133 1.00 0.00 N ATOM 352 CA ASP A 21 -10.046 -3.915 7.564 1.00 0.00 C ATOM 353 C ASP A 21 -8.775 -3.367 8.206 1.00 0.00 C ATOM 354 O ASP A 21 -8.765 -3.020 9.387 1.00 0.00 O ATOM 355 CB ASP A 21 -10.146 -5.421 7.807 1.00 0.00 C ATOM 356 CG ASP A 21 -10.994 -5.756 9.019 1.00 0.00 C ATOM 357 OD1 ASP A 21 -11.192 -4.864 9.870 1.00 0.00 O ATOM 358 OD2 ASP A 21 -11.460 -6.911 9.117 1.00 0.00 O ATOM 0 H ASP A 21 -9.390 -4.154 5.586 1.00 0.00 H new ATOM 0 HA ASP A 21 -10.903 -3.421 8.023 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.571 -5.901 6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.145 -5.832 7.942 1.00 0.00 H new ATOM 363 N MET A 22 -7.703 -3.294 7.422 1.00 0.00 N ATOM 364 CA MET A 22 -6.426 -2.790 7.915 1.00 0.00 C ATOM 365 C MET A 22 -6.582 -1.397 8.516 1.00 0.00 C ATOM 366 O MET A 22 -5.894 -1.043 9.473 1.00 0.00 O ATOM 367 CB MET A 22 -5.396 -2.759 6.783 1.00 0.00 C ATOM 368 CG MET A 22 -4.549 -4.017 6.696 1.00 0.00 C ATOM 369 SD MET A 22 -5.478 -5.439 6.091 1.00 0.00 S ATOM 370 CE MET A 22 -5.267 -5.253 4.322 1.00 0.00 C ATOM 0 H MET A 22 -7.694 -3.578 6.442 1.00 0.00 H new ATOM 0 HA MET A 22 -6.077 -3.464 8.698 1.00 0.00 H new ATOM 0 HB2 MET A 22 -5.915 -2.614 5.835 1.00 0.00 H new ATOM 0 HB3 MET A 22 -4.741 -1.899 6.923 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.701 -3.834 6.036 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.143 -4.246 7.681 1.00 0.00 H new ATOM 0 HE1 MET A 22 -6.197 -5.511 3.816 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.004 -4.220 4.094 1.00 0.00 H new ATOM 0 HE3 MET A 22 -4.471 -5.914 3.979 1.00 0.00 H new ATOM 380 N CYS A 23 -7.490 -0.610 7.949 1.00 0.00 N ATOM 381 CA CYS A 23 -7.735 0.746 8.430 1.00 0.00 C ATOM 382 C CYS A 23 -8.312 0.731 9.844 1.00 0.00 C ATOM 383 O CYS A 23 -8.194 1.710 10.581 1.00 0.00 O ATOM 384 CB CYS A 23 -8.689 1.478 7.486 1.00 0.00 C ATOM 385 SG CYS A 23 -10.347 0.761 7.407 1.00 0.00 S ATOM 0 H CYS A 23 -8.069 -0.887 7.156 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.781 1.272 8.454 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.770 2.518 7.803 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.259 1.483 6.484 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.080 1.451 6.584 1.00 0.00 H new ATOM 391 N ASN A 24 -8.939 -0.380 10.217 1.00 0.00 N ATOM 392 CA ASN A 24 -9.535 -0.513 11.541 1.00 0.00 C ATOM 393 C ASN A 24 -8.537 -1.104 12.533 1.00 0.00 C ATOM 394 O ASN A 24 -8.347 -0.574 13.627 1.00 0.00 O ATOM 395 CB ASN A 24 -10.789 -1.388 11.471 1.00 0.00 C ATOM 396 CG ASN A 24 -11.981 -0.744 12.152 1.00 0.00 C ATOM 397 OD1 ASN A 24 -12.540 0.234 11.654 1.00 0.00 O ATOM 398 ND2 ASN A 24 -12.377 -1.289 13.295 1.00 0.00 N ATOM 0 H ASN A 24 -9.047 -1.201 9.621 1.00 0.00 H new ATOM 0 HA ASN A 24 -9.814 0.481 11.889 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.033 -1.586 10.427 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.583 -2.351 11.938 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -13.174 -0.898 13.797 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.885 -2.099 13.671 1.00 0.00 H new ATOM 405 N VAL A 25 -7.906 -2.208 12.146 1.00 0.00 N ATOM 406 CA VAL A 25 -6.930 -2.871 13.003 1.00 0.00 C ATOM 407 C VAL A 25 -5.760 -1.948 13.328 1.00 0.00 C ATOM 408 O VAL A 25 -5.234 -1.963 14.441 1.00 0.00 O ATOM 409 CB VAL A 25 -6.393 -4.161 12.351 1.00 0.00 C ATOM 410 CG1 VAL A 25 -7.534 -5.119 12.046 1.00 0.00 C ATOM 411 CG2 VAL A 25 -5.608 -3.838 11.087 1.00 0.00 C ATOM 0 H VAL A 25 -8.053 -2.662 11.245 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.447 -3.130 13.927 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.717 -4.646 13.055 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.136 -6.024 11.586 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.049 -5.378 12.971 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.236 -4.643 11.362 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.238 -4.762 10.643 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.258 -3.328 10.376 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.766 -3.193 11.337 1.00 0.00 H new ATOM 421 N GLY A 26 -5.359 -1.144 12.349 1.00 0.00 N ATOM 422 CA GLY A 26 -4.253 -0.225 12.548 1.00 0.00 C ATOM 423 C GLY A 26 -3.099 -0.490 11.600 1.00 0.00 C ATOM 424 O GLY A 26 -1.935 -0.333 11.968 1.00 0.00 O ATOM 0 H GLY A 26 -5.780 -1.112 11.421 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.605 0.797 12.410 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.900 -0.304 13.576 1.00 0.00 H new ATOM 428 N ALA A 27 -3.423 -0.893 10.375 1.00 0.00 N ATOM 429 CA ALA A 27 -2.408 -1.181 9.369 1.00 0.00 C ATOM 430 C ALA A 27 -2.516 -0.217 8.192 1.00 0.00 C ATOM 431 O ALA A 27 -2.176 -0.565 7.061 1.00 0.00 O ATOM 432 CB ALA A 27 -2.535 -2.620 8.890 1.00 0.00 C ATOM 0 H ALA A 27 -4.382 -1.027 10.055 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.427 -1.047 9.826 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.771 -2.822 8.139 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.403 -3.297 9.734 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.522 -2.772 8.454 1.00 0.00 H new ATOM 438 N VAL A 28 -2.991 0.993 8.466 1.00 0.00 N ATOM 439 CA VAL A 28 -3.145 2.007 7.430 1.00 0.00 C ATOM 440 C VAL A 28 -2.678 3.371 7.926 1.00 0.00 C ATOM 441 O VAL A 28 -3.443 4.117 8.537 1.00 0.00 O ATOM 442 CB VAL A 28 -4.610 2.113 6.963 1.00 0.00 C ATOM 443 CG1 VAL A 28 -4.735 3.094 5.806 1.00 0.00 C ATOM 444 CG2 VAL A 28 -5.143 0.744 6.571 1.00 0.00 C ATOM 0 H VAL A 28 -3.276 1.295 9.397 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.526 1.699 6.587 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.210 2.489 7.792 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.777 3.154 5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.395 4.079 6.126 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.123 2.752 4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.179 0.837 6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.541 0.338 5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.092 0.074 7.430 1.00 0.00 H new ATOM 454 N TRP A 29 -1.417 3.691 7.657 1.00 0.00 N ATOM 455 CA TRP A 29 -0.844 4.966 8.073 1.00 0.00 C ATOM 456 C TRP A 29 -0.076 5.612 6.925 1.00 0.00 C ATOM 457 O TRP A 29 0.890 5.046 6.415 1.00 0.00 O ATOM 458 CB TRP A 29 0.084 4.766 9.275 1.00 0.00 C ATOM 459 CG TRP A 29 -0.645 4.631 10.578 1.00 0.00 C ATOM 460 CD1 TRP A 29 -1.584 3.694 10.901 1.00 0.00 C ATOM 461 CD2 TRP A 29 -0.495 5.464 11.734 1.00 0.00 C ATOM 462 NE1 TRP A 29 -2.026 3.892 12.187 1.00 0.00 N ATOM 463 CE2 TRP A 29 -1.372 4.973 12.719 1.00 0.00 C ATOM 464 CE3 TRP A 29 0.298 6.575 12.032 1.00 0.00 C ATOM 465 CZ2 TRP A 29 -1.478 5.555 13.979 1.00 0.00 C ATOM 466 CZ3 TRP A 29 0.192 7.153 13.284 1.00 0.00 C ATOM 467 CH2 TRP A 29 -0.691 6.642 14.244 1.00 0.00 C ATOM 0 H TRP A 29 -0.771 3.084 7.152 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.660 5.628 8.362 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.689 3.874 9.112 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.771 5.610 9.338 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -1.929 2.911 10.242 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.726 3.327 12.667 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.982 6.975 11.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -2.157 5.162 14.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.800 8.012 13.525 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.752 7.116 15.213 1.00 0.00 H new ATOM 478 N LEU A 30 -0.515 6.799 6.521 1.00 0.00 N ATOM 479 CA LEU A 30 0.130 7.520 5.429 1.00 0.00 C ATOM 480 C LEU A 30 1.132 8.539 5.963 1.00 0.00 C ATOM 481 O LEU A 30 0.767 9.459 6.693 1.00 0.00 O ATOM 482 CB LEU A 30 -0.919 8.225 4.566 1.00 0.00 C ATOM 483 CG LEU A 30 -0.544 8.383 3.092 1.00 0.00 C ATOM 484 CD1 LEU A 30 -1.710 8.957 2.303 1.00 0.00 C ATOM 485 CD2 LEU A 30 0.686 9.267 2.948 1.00 0.00 C ATOM 0 H LEU A 30 -1.314 7.282 6.932 1.00 0.00 H new ATOM 0 HA LEU A 30 0.668 6.795 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.854 7.668 4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.108 9.213 4.985 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.309 7.398 2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.424 9.062 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.566 8.287 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.976 9.934 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.939 9.369 1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.478 10.251 3.368 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.523 8.815 3.480 1.00 0.00 H new ATOM 497 N ASN A 31 2.397 8.368 5.591 1.00 0.00 N ATOM 498 CA ASN A 31 3.453 9.274 6.030 1.00 0.00 C ATOM 499 C ASN A 31 3.539 9.318 7.553 1.00 0.00 C ATOM 500 O ASN A 31 3.582 10.392 8.153 1.00 0.00 O ATOM 501 CB ASN A 31 3.208 10.680 5.478 1.00 0.00 C ATOM 502 CG ASN A 31 4.498 11.435 5.224 1.00 0.00 C ATOM 503 OD1 ASN A 31 4.798 11.811 4.091 1.00 0.00 O ATOM 504 ND2 ASN A 31 5.269 11.660 6.281 1.00 0.00 N ATOM 0 H ASN A 31 2.716 7.611 4.987 1.00 0.00 H new ATOM 0 HA ASN A 31 4.401 8.900 5.645 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.643 10.609 4.549 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.594 11.242 6.182 1.00 0.00 H new ATOM 0 HD21 ASN A 31 6.150 12.163 6.172 1.00 0.00 H new ATOM 0 HD22 ASN A 31 4.981 11.330 7.202 1.00 0.00 H new ATOM 511 N GLY A 32 3.563 8.143 8.173 1.00 0.00 N ATOM 512 CA GLY A 32 3.644 8.069 9.619 1.00 0.00 C ATOM 513 C GLY A 32 2.456 8.719 10.300 1.00 0.00 C ATOM 514 O GLY A 32 2.583 9.266 11.396 1.00 0.00 O ATOM 0 H GLY A 32 3.528 7.240 7.699 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.707 7.024 9.923 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.561 8.554 9.954 1.00 0.00 H new ATOM 518 N SER A 33 1.299 8.660 9.650 1.00 0.00 N ATOM 519 CA SER A 33 0.082 9.247 10.198 1.00 0.00 C ATOM 520 C SER A 33 -1.105 8.308 10.010 1.00 0.00 C ATOM 521 O SER A 33 -1.306 7.755 8.929 1.00 0.00 O ATOM 522 CB SER A 33 -0.205 10.593 9.531 1.00 0.00 C ATOM 523 OG SER A 33 -0.728 11.524 10.462 1.00 0.00 O ATOM 0 H SER A 33 1.178 8.211 8.742 1.00 0.00 H new ATOM 0 HA SER A 33 0.232 9.405 11.266 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.712 10.988 9.093 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.914 10.454 8.715 1.00 0.00 H new ATOM 0 HG SER A 33 -0.901 12.376 10.010 1.00 0.00 H new ATOM 529 N CYS A 34 -1.888 8.133 11.070 1.00 0.00 N ATOM 530 CA CYS A 34 -3.057 7.261 11.020 1.00 0.00 C ATOM 531 C CYS A 34 -4.025 7.707 9.929 1.00 0.00 C ATOM 532 O CYS A 34 -4.576 8.807 9.986 1.00 0.00 O ATOM 533 CB CYS A 34 -3.767 7.250 12.376 1.00 0.00 C ATOM 534 SG CYS A 34 -4.629 5.702 12.743 1.00 0.00 S ATOM 0 H CYS A 34 -1.735 8.583 11.973 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.717 6.252 10.786 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.034 7.440 13.160 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.485 8.070 12.405 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.765 4.734 12.829 1.00 0.00 H new ATOM 540 N ALA A 35 -4.228 6.846 8.937 1.00 0.00 N ATOM 541 CA ALA A 35 -5.129 7.153 7.833 1.00 0.00 C ATOM 542 C ALA A 35 -6.206 6.082 7.689 1.00 0.00 C ATOM 543 O ALA A 35 -6.014 4.935 8.091 1.00 0.00 O ATOM 544 CB ALA A 35 -4.345 7.294 6.537 1.00 0.00 C ATOM 0 H ALA A 35 -3.781 5.931 8.875 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.623 8.100 8.051 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.030 7.523 5.721 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.618 8.100 6.638 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -3.825 6.360 6.323 1.00 0.00 H new ATOM 550 N LYS A 36 -7.340 6.468 7.112 1.00 0.00 N ATOM 551 CA LYS A 36 -8.451 5.544 6.914 1.00 0.00 C ATOM 552 C LYS A 36 -8.324 4.824 5.572 1.00 0.00 C ATOM 553 O LYS A 36 -7.248 4.790 4.976 1.00 0.00 O ATOM 554 CB LYS A 36 -9.783 6.297 6.991 1.00 0.00 C ATOM 555 CG LYS A 36 -10.740 5.731 8.027 1.00 0.00 C ATOM 556 CD LYS A 36 -12.183 6.078 7.702 1.00 0.00 C ATOM 557 CE LYS A 36 -12.991 6.339 8.963 1.00 0.00 C ATOM 558 NZ LYS A 36 -12.741 5.309 10.008 1.00 0.00 N ATOM 0 H LYS A 36 -7.513 7.414 6.773 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.423 4.796 7.706 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.587 7.344 7.223 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -10.263 6.272 6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.627 4.648 8.074 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.484 6.122 9.012 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.211 6.960 7.062 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.637 5.262 7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.740 7.324 9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.053 6.355 8.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.569 5.240 10.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.572 4.388 9.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.906 5.578 10.567 1.00 0.00 H new ATOM 572 N ALA A 37 -9.428 4.248 5.103 1.00 0.00 N ATOM 573 CA ALA A 37 -9.435 3.529 3.835 1.00 0.00 C ATOM 574 C ALA A 37 -9.868 4.435 2.685 1.00 0.00 C ATOM 575 O ALA A 37 -10.418 3.967 1.688 1.00 0.00 O ATOM 576 CB ALA A 37 -10.348 2.317 3.924 1.00 0.00 C ATOM 0 H ALA A 37 -10.328 4.266 5.583 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.418 3.194 3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.345 1.788 2.971 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.992 1.651 4.710 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.362 2.642 4.155 1.00 0.00 H new ATOM 582 N SER A 38 -9.617 5.732 2.830 1.00 0.00 N ATOM 583 CA SER A 38 -9.979 6.700 1.800 1.00 0.00 C ATOM 584 C SER A 38 -8.911 7.780 1.669 1.00 0.00 C ATOM 585 O SER A 38 -9.201 8.908 1.273 1.00 0.00 O ATOM 586 CB SER A 38 -11.327 7.344 2.128 1.00 0.00 C ATOM 587 OG SER A 38 -12.311 6.360 2.399 1.00 0.00 O ATOM 0 H SER A 38 -9.165 6.137 3.650 1.00 0.00 H new ATOM 0 HA SER A 38 -10.056 6.170 0.851 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.219 8.002 2.991 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.650 7.965 1.292 1.00 0.00 H new ATOM 0 HG SER A 38 -13.163 6.798 2.607 1.00 0.00 H new ATOM 593 N LYS A 39 -7.675 7.428 2.006 1.00 0.00 N ATOM 594 CA LYS A 39 -6.567 8.371 1.927 1.00 0.00 C ATOM 595 C LYS A 39 -5.832 8.237 0.597 1.00 0.00 C ATOM 596 O LYS A 39 -5.303 7.173 0.274 1.00 0.00 O ATOM 597 CB LYS A 39 -5.594 8.148 3.085 1.00 0.00 C ATOM 598 CG LYS A 39 -4.965 9.428 3.609 1.00 0.00 C ATOM 599 CD LYS A 39 -5.886 10.142 4.587 1.00 0.00 C ATOM 600 CE LYS A 39 -6.836 11.087 3.869 1.00 0.00 C ATOM 601 NZ LYS A 39 -7.082 12.328 4.654 1.00 0.00 N ATOM 0 H LYS A 39 -7.416 6.498 2.336 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.976 9.379 1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.121 7.652 3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.803 7.472 2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.020 9.196 4.101 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.735 10.090 2.774 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.460 9.407 5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.290 10.702 5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.421 11.349 2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.783 10.580 3.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.734 12.946 4.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.502 12.080 5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.182 12.826 4.808 1.00 0.00 H new ATOM 615 N GLU A 40 -5.803 9.321 -0.171 1.00 0.00 N ATOM 616 CA GLU A 40 -5.132 9.323 -1.467 1.00 0.00 C ATOM 617 C GLU A 40 -3.643 9.618 -1.308 1.00 0.00 C ATOM 618 O GLU A 40 -3.258 10.709 -0.887 1.00 0.00 O ATOM 619 CB GLU A 40 -5.777 10.355 -2.395 1.00 0.00 C ATOM 620 CG GLU A 40 -6.177 9.790 -3.748 1.00 0.00 C ATOM 621 CD GLU A 40 -6.456 10.871 -4.773 1.00 0.00 C ATOM 622 OE1 GLU A 40 -7.442 11.617 -4.596 1.00 0.00 O ATOM 623 OE2 GLU A 40 -5.688 10.974 -5.752 1.00 0.00 O ATOM 0 H GLU A 40 -6.236 10.209 0.081 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.240 8.332 -1.908 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.660 10.768 -1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.081 11.180 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.382 9.142 -4.116 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.065 9.169 -3.630 1.00 0.00 H new ATOM 630 N VAL A 41 -2.811 8.638 -1.647 1.00 0.00 N ATOM 631 CA VAL A 41 -1.365 8.792 -1.543 1.00 0.00 C ATOM 632 C VAL A 41 -0.793 9.471 -2.783 1.00 0.00 C ATOM 633 O VAL A 41 -1.476 9.613 -3.797 1.00 0.00 O ATOM 634 CB VAL A 41 -0.668 7.433 -1.349 1.00 0.00 C ATOM 635 CG1 VAL A 41 -0.976 6.866 0.028 1.00 0.00 C ATOM 636 CG2 VAL A 41 -1.082 6.460 -2.440 1.00 0.00 C ATOM 0 H VAL A 41 -3.114 7.729 -1.996 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.176 9.417 -0.670 1.00 0.00 H new ATOM 0 HB VAL A 41 0.409 7.585 -1.420 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.475 5.905 0.146 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.622 7.557 0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.052 6.729 0.133 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.579 5.505 -2.286 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.161 6.312 -2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.803 6.864 -3.413 1.00 0.00 H new ATOM 646 N LYS A 42 0.466 9.890 -2.694 1.00 0.00 N ATOM 647 CA LYS A 42 1.131 10.554 -3.809 1.00 0.00 C ATOM 648 C LYS A 42 2.513 9.955 -4.050 1.00 0.00 C ATOM 649 O LYS A 42 2.922 9.016 -3.368 1.00 0.00 O ATOM 650 CB LYS A 42 1.253 12.054 -3.536 1.00 0.00 C ATOM 651 CG LYS A 42 0.070 12.862 -4.043 1.00 0.00 C ATOM 652 CD LYS A 42 0.359 13.479 -5.402 1.00 0.00 C ATOM 653 CE LYS A 42 0.922 14.884 -5.268 1.00 0.00 C ATOM 654 NZ LYS A 42 0.479 15.769 -6.381 1.00 0.00 N ATOM 0 H LYS A 42 1.045 9.781 -1.862 1.00 0.00 H new ATOM 0 HA LYS A 42 0.527 10.403 -4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.357 12.212 -2.463 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.164 12.427 -4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -0.808 12.219 -4.113 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.168 13.649 -3.328 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.067 12.852 -5.944 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.557 13.508 -5.992 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.607 15.312 -4.316 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.011 14.839 -5.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.885 16.718 -6.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.802 15.375 -7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.559 15.833 -6.381 1.00 0.00 H new ATOM 668 N ALA A 43 3.229 10.506 -5.026 1.00 0.00 N ATOM 669 CA ALA A 43 4.566 10.027 -5.358 1.00 0.00 C ATOM 670 C ALA A 43 5.580 10.455 -4.303 1.00 0.00 C ATOM 671 O ALA A 43 5.497 11.555 -3.759 1.00 0.00 O ATOM 672 CB ALA A 43 4.981 10.534 -6.730 1.00 0.00 C ATOM 0 H ALA A 43 2.905 11.284 -5.600 1.00 0.00 H new ATOM 0 HA ALA A 43 4.541 8.937 -5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.981 10.169 -6.966 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.277 10.173 -7.480 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.983 11.624 -6.730 1.00 0.00 H new ATOM 678 N GLY A 44 6.537 9.577 -4.020 1.00 0.00 N ATOM 679 CA GLY A 44 7.553 9.883 -3.031 1.00 0.00 C ATOM 680 C GLY A 44 6.996 9.935 -1.623 1.00 0.00 C ATOM 681 O GLY A 44 7.522 10.643 -0.766 1.00 0.00 O ATOM 0 H GLY A 44 6.627 8.660 -4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.340 9.131 -3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 44 8.013 10.841 -3.272 1.00 0.00 H new ATOM 685 N ASP A 45 5.928 9.180 -1.383 1.00 0.00 N ATOM 686 CA ASP A 45 5.298 9.144 -0.068 1.00 0.00 C ATOM 687 C ASP A 45 5.621 7.839 0.652 1.00 0.00 C ATOM 688 O ASP A 45 6.129 6.894 0.048 1.00 0.00 O ATOM 689 CB ASP A 45 3.783 9.305 -0.201 1.00 0.00 C ATOM 690 CG ASP A 45 3.336 10.742 -0.014 1.00 0.00 C ATOM 691 OD1 ASP A 45 3.640 11.324 1.048 1.00 0.00 O ATOM 692 OD2 ASP A 45 2.682 11.284 -0.930 1.00 0.00 O ATOM 0 H ASP A 45 5.481 8.586 -2.081 1.00 0.00 H new ATOM 0 HA ASP A 45 5.694 9.972 0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.468 8.954 -1.184 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.287 8.674 0.537 1.00 0.00 H new ATOM 697 N THR A 46 5.326 7.794 1.947 1.00 0.00 N ATOM 698 CA THR A 46 5.586 6.605 2.749 1.00 0.00 C ATOM 699 C THR A 46 4.313 5.790 2.948 1.00 0.00 C ATOM 700 O THR A 46 3.221 6.344 3.082 1.00 0.00 O ATOM 701 CB THR A 46 6.170 6.998 4.105 1.00 0.00 C ATOM 702 OG1 THR A 46 7.011 8.131 3.981 1.00 0.00 O ATOM 703 CG2 THR A 46 6.979 5.893 4.748 1.00 0.00 C ATOM 0 H THR A 46 4.907 8.567 2.463 1.00 0.00 H new ATOM 0 HA THR A 46 6.308 5.989 2.214 1.00 0.00 H new ATOM 0 HB THR A 46 5.310 7.214 4.739 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.373 8.367 4.860 1.00 0.00 H new ATOM 0 HG21 THR A 46 7.366 6.236 5.708 1.00 0.00 H new ATOM 0 HG22 THR A 46 6.344 5.021 4.903 1.00 0.00 H new ATOM 0 HG23 THR A 46 7.811 5.625 4.097 1.00 0.00 H new ATOM 711 N ILE A 47 4.462 4.470 2.969 1.00 0.00 N ATOM 712 CA ILE A 47 3.329 3.572 3.155 1.00 0.00 C ATOM 713 C ILE A 47 3.579 2.624 4.326 1.00 0.00 C ATOM 714 O ILE A 47 4.277 1.624 4.185 1.00 0.00 O ATOM 715 CB ILE A 47 3.063 2.747 1.879 1.00 0.00 C ATOM 716 CG1 ILE A 47 2.802 3.675 0.694 1.00 0.00 C ATOM 717 CG2 ILE A 47 1.887 1.801 2.085 1.00 0.00 C ATOM 718 CD1 ILE A 47 1.547 4.509 0.844 1.00 0.00 C ATOM 0 H ILE A 47 5.359 3.997 2.859 1.00 0.00 H new ATOM 0 HA ILE A 47 2.454 4.186 3.369 1.00 0.00 H new ATOM 0 HB ILE A 47 3.948 2.148 1.665 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.657 4.339 0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.725 3.078 -0.215 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.716 1.229 1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.108 1.119 2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.994 2.378 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.425 5.144 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.683 3.852 0.940 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.629 5.133 1.734 1.00 0.00 H new ATOM 730 N SER A 48 3.006 2.948 5.480 1.00 0.00 N ATOM 731 CA SER A 48 3.177 2.124 6.672 1.00 0.00 C ATOM 732 C SER A 48 2.214 0.939 6.671 1.00 0.00 C ATOM 733 O SER A 48 1.105 1.028 6.146 1.00 0.00 O ATOM 734 CB SER A 48 2.972 2.965 7.935 1.00 0.00 C ATOM 735 OG SER A 48 2.945 4.349 7.630 1.00 0.00 O ATOM 0 H SER A 48 2.421 3.772 5.616 1.00 0.00 H new ATOM 0 HA SER A 48 4.195 1.734 6.664 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.038 2.678 8.419 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.774 2.762 8.645 1.00 0.00 H new ATOM 0 HG SER A 48 2.017 4.637 7.499 1.00 0.00 H new ATOM 741 N LEU A 49 2.651 -0.167 7.264 1.00 0.00 N ATOM 742 CA LEU A 49 1.834 -1.373 7.337 1.00 0.00 C ATOM 743 C LEU A 49 2.084 -2.116 8.646 1.00 0.00 C ATOM 744 O LEU A 49 3.230 -2.287 9.064 1.00 0.00 O ATOM 745 CB LEU A 49 2.135 -2.290 6.147 1.00 0.00 C ATOM 746 CG LEU A 49 1.085 -2.272 5.034 1.00 0.00 C ATOM 747 CD1 LEU A 49 1.692 -2.747 3.724 1.00 0.00 C ATOM 748 CD2 LEU A 49 -0.109 -3.134 5.416 1.00 0.00 C ATOM 0 H LEU A 49 3.568 -0.253 7.702 1.00 0.00 H new ATOM 0 HA LEU A 49 0.785 -1.078 7.301 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.097 -2.005 5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.238 -3.312 6.512 1.00 0.00 H new ATOM 0 HG LEU A 49 0.739 -1.247 4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.932 -2.728 2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.515 -2.090 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.064 -3.764 3.843 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.846 -3.110 4.614 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.220 -4.161 5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.557 -2.749 6.332 1.00 0.00 H new ATOM 760 N HIS A 50 1.007 -2.558 9.289 1.00 0.00 N ATOM 761 CA HIS A 50 1.116 -3.282 10.550 1.00 0.00 C ATOM 762 C HIS A 50 1.024 -4.787 10.323 1.00 0.00 C ATOM 763 O HIS A 50 0.068 -5.278 9.722 1.00 0.00 O ATOM 764 CB HIS A 50 0.018 -2.834 11.518 1.00 0.00 C ATOM 765 CG HIS A 50 0.238 -3.297 12.925 1.00 0.00 C ATOM 766 ND1 HIS A 50 1.182 -2.741 13.762 1.00 0.00 N ATOM 767 CD2 HIS A 50 -0.371 -4.271 13.643 1.00 0.00 C ATOM 768 CE1 HIS A 50 1.146 -3.353 14.933 1.00 0.00 C ATOM 769 NE2 HIS A 50 0.211 -4.285 14.886 1.00 0.00 N ATOM 0 H HIS A 50 0.051 -2.428 8.958 1.00 0.00 H new ATOM 0 HA HIS A 50 2.089 -3.056 10.985 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -0.043 -1.746 11.507 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.942 -3.211 11.166 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -1.167 -4.916 13.301 1.00 0.00 H new ATOM 0 HE1 HIS A 50 1.774 -3.129 15.783 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -0.038 -4.913 15.650 1.00 0.00 H new ATOM 778 N TYR A 51 2.026 -5.515 10.807 1.00 0.00 N ATOM 779 CA TYR A 51 2.060 -6.966 10.658 1.00 0.00 C ATOM 780 C TYR A 51 2.210 -7.649 12.013 1.00 0.00 C ATOM 781 O TYR A 51 2.373 -6.987 13.038 1.00 0.00 O ATOM 782 CB TYR A 51 3.208 -7.377 9.734 1.00 0.00 C ATOM 783 CG TYR A 51 2.852 -7.324 8.266 1.00 0.00 C ATOM 784 CD1 TYR A 51 2.444 -6.135 7.672 1.00 0.00 C ATOM 785 CD2 TYR A 51 2.923 -8.462 7.472 1.00 0.00 C ATOM 786 CE1 TYR A 51 2.118 -6.083 6.331 1.00 0.00 C ATOM 787 CE2 TYR A 51 2.598 -8.417 6.130 1.00 0.00 C ATOM 788 CZ TYR A 51 2.196 -7.225 5.564 1.00 0.00 C ATOM 789 OH TYR A 51 1.872 -7.177 4.228 1.00 0.00 O ATOM 0 H TYR A 51 2.825 -5.124 11.306 1.00 0.00 H new ATOM 0 HA TYR A 51 1.116 -7.284 10.216 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.061 -6.724 9.916 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.522 -8.390 9.987 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.381 -5.237 8.269 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.237 -9.397 7.911 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.803 -5.151 5.885 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.658 -9.311 5.527 1.00 0.00 H new ATOM 0 HH TYR A 51 1.981 -8.067 3.833 1.00 0.00 H new ATOM 799 N LEU A 52 2.152 -8.977 12.011 1.00 0.00 N ATOM 800 CA LEU A 52 2.281 -9.749 13.241 1.00 0.00 C ATOM 801 C LEU A 52 3.716 -9.719 13.758 1.00 0.00 C ATOM 802 O LEU A 52 3.954 -9.496 14.945 1.00 0.00 O ATOM 803 CB LEU A 52 1.843 -11.196 13.006 1.00 0.00 C ATOM 804 CG LEU A 52 2.602 -11.933 11.902 1.00 0.00 C ATOM 805 CD1 LEU A 52 3.822 -12.639 12.474 1.00 0.00 C ATOM 806 CD2 LEU A 52 1.689 -12.927 11.200 1.00 0.00 C ATOM 0 H LEU A 52 2.017 -9.540 11.172 1.00 0.00 H new ATOM 0 HA LEU A 52 1.635 -9.296 13.993 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.959 -11.750 13.937 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.781 -11.202 12.762 1.00 0.00 H new ATOM 0 HG LEU A 52 2.941 -11.201 11.169 1.00 0.00 H new ATOM 0 HD11 LEU A 52 4.350 -13.158 11.674 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.486 -11.905 12.931 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.505 -13.360 13.227 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.246 -13.442 10.417 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.320 -13.655 11.922 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.846 -12.397 10.757 1.00 0.00 H new ATOM 818 N LYS A 53 4.670 -9.945 12.860 1.00 0.00 N ATOM 819 CA LYS A 53 6.081 -9.943 13.226 1.00 0.00 C ATOM 820 C LYS A 53 6.548 -8.538 13.592 1.00 0.00 C ATOM 821 O LYS A 53 7.436 -8.365 14.426 1.00 0.00 O ATOM 822 CB LYS A 53 6.928 -10.491 12.076 1.00 0.00 C ATOM 823 CG LYS A 53 6.790 -9.696 10.787 1.00 0.00 C ATOM 824 CD LYS A 53 6.754 -10.606 9.568 1.00 0.00 C ATOM 825 CE LYS A 53 5.421 -10.516 8.841 1.00 0.00 C ATOM 826 NZ LYS A 53 5.589 -10.576 7.364 1.00 0.00 N ATOM 0 H LYS A 53 4.491 -10.132 11.873 1.00 0.00 H new ATOM 0 HA LYS A 53 6.205 -10.585 14.098 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.975 -10.498 12.378 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.643 -11.526 11.887 1.00 0.00 H new ATOM 0 HG2 LYS A 53 5.879 -9.099 10.823 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.624 -9.000 10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.560 -10.334 8.886 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.932 -11.636 9.877 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.774 -11.331 9.166 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.922 -9.586 9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.819 -10.048 6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.503 -10.154 7.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.563 -11.568 7.052 1.00 0.00 H new ATOM 840 N GLY A 54 5.941 -7.536 12.963 1.00 0.00 N ATOM 841 CA GLY A 54 6.308 -6.159 13.234 1.00 0.00 C ATOM 842 C GLY A 54 5.649 -5.185 12.278 1.00 0.00 C ATOM 843 O GLY A 54 4.603 -5.484 11.700 1.00 0.00 O ATOM 0 H GLY A 54 5.201 -7.654 12.270 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.028 -5.906 14.256 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.391 -6.054 13.165 1.00 0.00 H new ATOM 847 N ILE A 55 6.261 -4.018 12.108 1.00 0.00 N ATOM 848 CA ILE A 55 5.724 -2.998 11.213 1.00 0.00 C ATOM 849 C ILE A 55 6.724 -2.652 10.116 1.00 0.00 C ATOM 850 O ILE A 55 7.908 -2.454 10.380 1.00 0.00 O ATOM 851 CB ILE A 55 5.358 -1.708 11.974 1.00 0.00 C ATOM 852 CG1 ILE A 55 4.694 -2.043 13.311 1.00 0.00 C ATOM 853 CG2 ILE A 55 4.442 -0.838 11.126 1.00 0.00 C ATOM 854 CD1 ILE A 55 5.677 -2.426 14.396 1.00 0.00 C ATOM 0 H ILE A 55 7.128 -3.755 12.577 1.00 0.00 H new ATOM 0 HA ILE A 55 4.821 -3.417 10.769 1.00 0.00 H new ATOM 0 HB ILE A 55 6.274 -1.153 12.177 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.114 -1.183 13.645 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.991 -2.863 13.163 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.191 0.070 11.675 1.00 0.00 H new ATOM 0 HG22 ILE A 55 4.949 -0.572 10.198 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.529 -1.387 10.896 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.135 -2.650 15.315 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.240 -3.305 14.083 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.365 -1.599 14.573 1.00 0.00 H new ATOM 866 N GLU A 56 6.234 -2.578 8.882 1.00 0.00 N ATOM 867 CA GLU A 56 7.082 -2.250 7.743 1.00 0.00 C ATOM 868 C GLU A 56 6.456 -1.141 6.907 1.00 0.00 C ATOM 869 O GLU A 56 5.315 -1.256 6.461 1.00 0.00 O ATOM 870 CB GLU A 56 7.312 -3.486 6.875 1.00 0.00 C ATOM 871 CG GLU A 56 7.864 -4.676 7.644 1.00 0.00 C ATOM 872 CD GLU A 56 8.705 -5.591 6.776 1.00 0.00 C ATOM 873 OE1 GLU A 56 8.131 -6.506 6.148 1.00 0.00 O ATOM 874 OE2 GLU A 56 9.937 -5.393 6.724 1.00 0.00 O ATOM 0 H GLU A 56 5.255 -2.741 8.646 1.00 0.00 H new ATOM 0 HA GLU A 56 8.041 -1.901 8.125 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.370 -3.772 6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.003 -3.232 6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.467 -4.317 8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.037 -5.244 8.070 1.00 0.00 H new ATOM 881 N GLU A 57 7.209 -0.068 6.700 1.00 0.00 N ATOM 882 CA GLU A 57 6.722 1.062 5.918 1.00 0.00 C ATOM 883 C GLU A 57 7.446 1.158 4.578 1.00 0.00 C ATOM 884 O GLU A 57 8.674 1.210 4.524 1.00 0.00 O ATOM 885 CB GLU A 57 6.891 2.367 6.699 1.00 0.00 C ATOM 886 CG GLU A 57 8.299 2.584 7.226 1.00 0.00 C ATOM 887 CD GLU A 57 8.783 4.008 7.027 1.00 0.00 C ATOM 888 OE1 GLU A 57 8.074 4.942 7.458 1.00 0.00 O ATOM 889 OE2 GLU A 57 9.870 4.189 6.441 1.00 0.00 O ATOM 0 H GLU A 57 8.156 0.044 7.061 1.00 0.00 H new ATOM 0 HA GLU A 57 5.662 0.900 5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.621 3.204 6.055 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.194 2.372 7.537 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.327 2.340 8.288 1.00 0.00 H new ATOM 0 HG3 GLU A 57 8.981 1.899 6.723 1.00 0.00 H new ATOM 896 N TYR A 58 6.668 1.186 3.501 1.00 0.00 N ATOM 897 CA TYR A 58 7.215 1.280 2.155 1.00 0.00 C ATOM 898 C TYR A 58 7.257 2.732 1.690 1.00 0.00 C ATOM 899 O TYR A 58 6.873 3.641 2.425 1.00 0.00 O ATOM 900 CB TYR A 58 6.381 0.446 1.180 1.00 0.00 C ATOM 901 CG TYR A 58 6.262 -1.009 1.575 1.00 0.00 C ATOM 902 CD1 TYR A 58 5.466 -1.396 2.646 1.00 0.00 C ATOM 903 CD2 TYR A 58 6.946 -1.996 0.875 1.00 0.00 C ATOM 904 CE1 TYR A 58 5.356 -2.725 3.009 1.00 0.00 C ATOM 905 CE2 TYR A 58 6.840 -3.327 1.232 1.00 0.00 C ATOM 906 CZ TYR A 58 6.044 -3.686 2.300 1.00 0.00 C ATOM 907 OH TYR A 58 5.936 -5.010 2.657 1.00 0.00 O ATOM 0 H TYR A 58 5.649 1.145 3.537 1.00 0.00 H new ATOM 0 HA TYR A 58 8.233 0.890 2.175 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.382 0.877 1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 58 6.827 0.509 0.188 1.00 0.00 H new ATOM 0 HD1 TYR A 58 4.925 -0.646 3.204 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.570 -1.718 0.039 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.734 -3.009 3.845 1.00 0.00 H new ATOM 0 HE2 TYR A 58 7.378 -4.082 0.678 1.00 0.00 H new ATOM 0 HH TYR A 58 6.483 -5.557 2.055 1.00 0.00 H new ATOM 917 N THR A 59 7.729 2.940 0.468 1.00 0.00 N ATOM 918 CA THR A 59 7.824 4.282 -0.097 1.00 0.00 C ATOM 919 C THR A 59 7.380 4.291 -1.556 1.00 0.00 C ATOM 920 O THR A 59 7.876 3.515 -2.372 1.00 0.00 O ATOM 921 CB THR A 59 9.257 4.806 0.015 1.00 0.00 C ATOM 922 OG1 THR A 59 9.662 4.874 1.371 1.00 0.00 O ATOM 923 CG2 THR A 59 9.443 6.182 -0.588 1.00 0.00 C ATOM 0 H THR A 59 8.052 2.197 -0.152 1.00 0.00 H new ATOM 0 HA THR A 59 7.161 4.935 0.470 1.00 0.00 H new ATOM 0 HB THR A 59 9.866 4.097 -0.545 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.437 5.755 1.736 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.482 6.492 -0.474 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.187 6.153 -1.647 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.794 6.894 -0.078 1.00 0.00 H new ATOM 931 N ILE A 60 6.443 5.180 -1.877 1.00 0.00 N ATOM 932 CA ILE A 60 5.934 5.294 -3.237 1.00 0.00 C ATOM 933 C ILE A 60 6.920 6.042 -4.126 1.00 0.00 C ATOM 934 O ILE A 60 7.373 7.134 -3.787 1.00 0.00 O ATOM 935 CB ILE A 60 4.576 6.020 -3.272 1.00 0.00 C ATOM 936 CG1 ILE A 60 3.613 5.404 -2.254 1.00 0.00 C ATOM 937 CG2 ILE A 60 3.981 5.966 -4.672 1.00 0.00 C ATOM 938 CD1 ILE A 60 2.627 6.396 -1.679 1.00 0.00 C ATOM 0 H ILE A 60 6.023 5.830 -1.213 1.00 0.00 H new ATOM 0 HA ILE A 60 5.802 4.279 -3.613 1.00 0.00 H new ATOM 0 HB ILE A 60 4.735 7.065 -3.005 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.063 4.592 -2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.190 4.964 -1.440 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.022 6.483 -4.680 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.660 6.449 -5.375 1.00 0.00 H new ATOM 0 HG23 ILE A 60 3.835 4.926 -4.965 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.976 5.890 -0.965 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.168 7.196 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.025 6.818 -2.483 1.00 0.00 H new ATOM 950 N LEU A 61 7.250 5.444 -5.266 1.00 0.00 N ATOM 951 CA LEU A 61 8.186 6.051 -6.204 1.00 0.00 C ATOM 952 C LEU A 61 7.453 6.779 -7.330 1.00 0.00 C ATOM 953 O LEU A 61 8.051 7.572 -8.057 1.00 0.00 O ATOM 954 CB LEU A 61 9.111 4.983 -6.790 1.00 0.00 C ATOM 955 CG LEU A 61 9.996 4.265 -5.769 1.00 0.00 C ATOM 956 CD1 LEU A 61 10.753 3.123 -6.430 1.00 0.00 C ATOM 957 CD2 LEU A 61 10.962 5.244 -5.117 1.00 0.00 C ATOM 0 H LEU A 61 6.883 4.540 -5.562 1.00 0.00 H new ATOM 0 HA LEU A 61 8.780 6.784 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.503 4.241 -7.307 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.751 5.449 -7.539 1.00 0.00 H new ATOM 0 HG LEU A 61 9.356 3.847 -4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.377 2.623 -5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.043 2.409 -6.847 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.382 3.517 -7.228 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.583 4.715 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 61 11.597 5.692 -5.881 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.399 6.026 -4.608 1.00 0.00 H new ATOM 969 N GLN A 62 6.157 6.508 -7.472 1.00 0.00 N ATOM 970 CA GLN A 62 5.358 7.144 -8.513 1.00 0.00 C ATOM 971 C GLN A 62 3.894 6.722 -8.412 1.00 0.00 C ATOM 972 O GLN A 62 3.573 5.701 -7.803 1.00 0.00 O ATOM 973 CB GLN A 62 5.907 6.786 -9.895 1.00 0.00 C ATOM 974 CG GLN A 62 5.584 7.816 -10.966 1.00 0.00 C ATOM 975 CD GLN A 62 4.804 7.228 -12.126 1.00 0.00 C ATOM 976 OE1 GLN A 62 5.349 6.480 -12.939 1.00 0.00 O ATOM 977 NE2 GLN A 62 3.522 7.563 -12.210 1.00 0.00 N ATOM 0 H GLN A 62 5.641 5.855 -6.882 1.00 0.00 H new ATOM 0 HA GLN A 62 5.417 8.223 -8.372 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.989 6.671 -9.828 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.502 5.820 -10.198 1.00 0.00 H new ATOM 0 HG2 GLN A 62 5.009 8.629 -10.522 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.512 8.249 -11.340 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.111 8.186 -11.515 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.948 7.198 -12.970 1.00 0.00 H new ATOM 986 N ILE A 63 3.013 7.515 -9.012 1.00 0.00 N ATOM 987 CA ILE A 63 1.584 7.226 -8.993 1.00 0.00 C ATOM 988 C ILE A 63 1.023 7.140 -10.410 1.00 0.00 C ATOM 989 O ILE A 63 0.544 8.133 -10.957 1.00 0.00 O ATOM 990 CB ILE A 63 0.805 8.298 -8.210 1.00 0.00 C ATOM 991 CG1 ILE A 63 1.474 8.566 -6.861 1.00 0.00 C ATOM 992 CG2 ILE A 63 -0.641 7.866 -8.014 1.00 0.00 C ATOM 993 CD1 ILE A 63 1.492 7.362 -5.946 1.00 0.00 C ATOM 0 H ILE A 63 3.264 8.364 -9.518 1.00 0.00 H new ATOM 0 HA ILE A 63 1.462 6.263 -8.496 1.00 0.00 H new ATOM 0 HB ILE A 63 0.813 9.223 -8.787 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.498 8.898 -7.032 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.953 9.383 -6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.178 8.635 -7.459 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.113 7.724 -8.986 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.669 6.930 -7.457 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.981 7.625 -5.008 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.469 7.043 -5.745 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.038 6.549 -6.425 1.00 0.00 H new ATOM 1005 N PRO A 64 1.075 5.945 -11.023 1.00 0.00 N ATOM 1006 CA PRO A 64 0.569 5.734 -12.383 1.00 0.00 C ATOM 1007 C PRO A 64 -0.953 5.819 -12.463 1.00 0.00 C ATOM 1008 O PRO A 64 -1.524 5.866 -13.552 1.00 0.00 O ATOM 1009 CB PRO A 64 1.045 4.320 -12.724 1.00 0.00 C ATOM 1010 CG PRO A 64 1.193 3.643 -11.406 1.00 0.00 C ATOM 1011 CD PRO A 64 1.631 4.708 -10.440 1.00 0.00 C ATOM 0 HA PRO A 64 0.929 6.499 -13.071 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.325 3.802 -13.357 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.990 4.340 -13.267 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.252 3.193 -11.090 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.928 2.840 -11.460 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.243 4.526 -9.438 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.717 4.755 -10.358 1.00 0.00 H new ATOM 1019 N ALA A 65 -1.607 5.839 -11.304 1.00 0.00 N ATOM 1020 CA ALA A 65 -3.061 5.918 -11.251 1.00 0.00 C ATOM 1021 C ALA A 65 -3.702 4.722 -11.948 1.00 0.00 C ATOM 1022 O ALA A 65 -4.545 4.882 -12.830 1.00 0.00 O ATOM 1023 CB ALA A 65 -3.540 7.219 -11.878 1.00 0.00 C ATOM 0 H ALA A 65 -1.152 5.802 -10.392 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.365 5.899 -10.204 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.628 7.266 -11.832 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.117 8.063 -11.333 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.218 7.261 -12.919 1.00 0.00 H new ATOM 1029 N LEU A 66 -3.295 3.523 -11.546 1.00 0.00 N ATOM 1030 CA LEU A 66 -3.827 2.298 -12.132 1.00 0.00 C ATOM 1031 C LEU A 66 -4.845 1.647 -11.201 1.00 0.00 C ATOM 1032 O LEU A 66 -5.097 2.137 -10.099 1.00 0.00 O ATOM 1033 CB LEU A 66 -2.693 1.318 -12.434 1.00 0.00 C ATOM 1034 CG LEU A 66 -1.442 1.946 -13.049 1.00 0.00 C ATOM 1035 CD1 LEU A 66 -0.281 0.965 -13.018 1.00 0.00 C ATOM 1036 CD2 LEU A 66 -1.721 2.400 -14.475 1.00 0.00 C ATOM 0 H LEU A 66 -2.598 3.373 -10.816 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.329 2.559 -13.064 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.411 0.815 -11.509 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.067 0.551 -13.112 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.168 2.819 -12.457 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.600 1.430 -13.460 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.066 0.688 -11.986 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.544 0.072 -13.586 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.820 2.845 -14.898 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.020 1.543 -15.078 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.523 3.138 -14.471 1.00 0.00 H new ATOM 1048 N LYS A 67 -5.427 0.539 -11.649 1.00 0.00 N ATOM 1049 CA LYS A 67 -6.417 -0.179 -10.856 1.00 0.00 C ATOM 1050 C LYS A 67 -5.844 -1.489 -10.328 1.00 0.00 C ATOM 1051 O LYS A 67 -6.219 -1.954 -9.252 1.00 0.00 O ATOM 1052 CB LYS A 67 -7.668 -0.455 -11.693 1.00 0.00 C ATOM 1053 CG LYS A 67 -8.725 0.632 -11.584 1.00 0.00 C ATOM 1054 CD LYS A 67 -9.837 0.431 -12.600 1.00 0.00 C ATOM 1055 CE LYS A 67 -11.076 1.232 -12.234 1.00 0.00 C ATOM 1056 NZ LYS A 67 -12.329 0.533 -12.634 1.00 0.00 N ATOM 0 H LYS A 67 -5.230 0.119 -12.557 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.688 0.446 -10.005 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.379 -0.565 -12.738 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -8.102 -1.405 -11.380 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.145 0.633 -10.578 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.263 1.607 -11.737 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -9.487 0.730 -13.588 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -10.091 -0.627 -12.659 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -11.088 1.411 -11.159 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -11.034 2.207 -12.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.150 1.112 -12.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.330 0.385 -13.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.383 -0.387 -12.152 1.00 0.00 H new ATOM 1070 N ASN A 68 -4.930 -2.081 -11.090 1.00 0.00 N ATOM 1071 CA ASN A 68 -4.304 -3.338 -10.698 1.00 0.00 C ATOM 1072 C ASN A 68 -2.986 -3.545 -11.439 1.00 0.00 C ATOM 1073 O ASN A 68 -2.964 -3.678 -12.662 1.00 0.00 O ATOM 1074 CB ASN A 68 -5.250 -4.511 -10.970 1.00 0.00 C ATOM 1075 CG ASN A 68 -5.560 -5.307 -9.717 1.00 0.00 C ATOM 1076 OD1 ASN A 68 -6.366 -4.889 -8.886 1.00 0.00 O ATOM 1077 ND2 ASN A 68 -4.917 -6.461 -9.575 1.00 0.00 N ATOM 0 H ASN A 68 -4.606 -1.710 -11.983 1.00 0.00 H new ATOM 0 HA ASN A 68 -4.094 -3.293 -9.629 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -6.179 -4.133 -11.396 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -4.803 -5.170 -11.714 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -5.083 -7.039 -8.752 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -4.257 -6.768 -10.289 1.00 0.00 H new ATOM 1084 N VAL A 69 -1.889 -3.570 -10.688 1.00 0.00 N ATOM 1085 CA VAL A 69 -0.567 -3.758 -11.273 1.00 0.00 C ATOM 1086 C VAL A 69 -0.262 -5.242 -11.473 1.00 0.00 C ATOM 1087 O VAL A 69 -0.531 -6.061 -10.594 1.00 0.00 O ATOM 1088 CB VAL A 69 0.530 -3.136 -10.388 1.00 0.00 C ATOM 1089 CG1 VAL A 69 1.873 -3.159 -11.100 1.00 0.00 C ATOM 1090 CG2 VAL A 69 0.154 -1.716 -9.992 1.00 0.00 C ATOM 0 H VAL A 69 -1.890 -3.462 -9.674 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.573 -3.256 -12.240 1.00 0.00 H new ATOM 0 HB VAL A 69 0.618 -3.733 -9.480 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.633 -2.715 -10.457 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.147 -4.189 -11.327 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.803 -2.589 -12.027 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.940 -1.292 -9.367 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.036 -1.108 -10.889 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.784 -1.729 -9.436 1.00 0.00 H new ATOM 1100 N PRO A 70 0.307 -5.612 -12.636 1.00 0.00 N ATOM 1101 CA PRO A 70 0.646 -7.007 -12.939 1.00 0.00 C ATOM 1102 C PRO A 70 1.621 -7.599 -11.926 1.00 0.00 C ATOM 1103 O PRO A 70 1.966 -6.956 -10.934 1.00 0.00 O ATOM 1104 CB PRO A 70 1.293 -6.937 -14.329 1.00 0.00 C ATOM 1105 CG PRO A 70 1.677 -5.509 -14.511 1.00 0.00 C ATOM 1106 CD PRO A 70 0.666 -4.710 -13.741 1.00 0.00 C ATOM 0 HA PRO A 70 -0.233 -7.651 -12.902 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.164 -7.590 -14.391 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.597 -7.259 -15.104 1.00 0.00 H new ATOM 0 HG2 PRO A 70 2.685 -5.325 -14.140 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.671 -5.234 -15.566 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.085 -3.772 -13.377 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.200 -4.456 -14.353 1.00 0.00 H new ATOM 1114 N ARG A 71 2.058 -8.828 -12.181 1.00 0.00 N ATOM 1115 CA ARG A 71 2.991 -9.507 -11.290 1.00 0.00 C ATOM 1116 C ARG A 71 4.422 -9.401 -11.809 1.00 0.00 C ATOM 1117 O ARG A 71 5.229 -10.313 -11.625 1.00 0.00 O ATOM 1118 CB ARG A 71 2.596 -10.976 -11.132 1.00 0.00 C ATOM 1119 CG ARG A 71 2.281 -11.372 -9.699 1.00 0.00 C ATOM 1120 CD ARG A 71 3.520 -11.869 -8.972 1.00 0.00 C ATOM 1121 NE ARG A 71 4.038 -10.878 -8.032 1.00 0.00 N ATOM 1122 CZ ARG A 71 3.499 -10.636 -6.839 1.00 0.00 C ATOM 1123 NH1 ARG A 71 2.430 -11.311 -6.435 1.00 0.00 N ATOM 1124 NH2 ARG A 71 4.032 -9.716 -6.046 1.00 0.00 N ATOM 0 H ARG A 71 1.781 -9.374 -12.997 1.00 0.00 H new ATOM 0 HA ARG A 71 2.946 -9.019 -10.317 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.725 -11.178 -11.755 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.406 -11.603 -11.503 1.00 0.00 H new ATOM 0 HG2 ARG A 71 1.865 -10.516 -9.167 1.00 0.00 H new ATOM 0 HG3 ARG A 71 1.519 -12.151 -9.695 1.00 0.00 H new ATOM 0 HD2 ARG A 71 3.281 -12.787 -8.436 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.293 -12.117 -9.700 1.00 0.00 H new ATOM 0 HE ARG A 71 4.860 -10.340 -8.306 1.00 0.00 H new ATOM 0 HH11 ARG A 71 2.016 -12.020 -7.040 1.00 0.00 H new ATOM 0 HH12 ARG A 71 2.022 -11.120 -5.520 1.00 0.00 H new ATOM 0 HH21 ARG A 71 4.854 -9.195 -6.350 1.00 0.00 H new ATOM 0 HH22 ARG A 71 3.620 -9.530 -5.132 1.00 0.00 H new ATOM 1138 N LYS A 72 4.731 -8.283 -12.458 1.00 0.00 N ATOM 1139 CA LYS A 72 6.065 -8.059 -13.001 1.00 0.00 C ATOM 1140 C LYS A 72 6.522 -6.625 -12.752 1.00 0.00 C ATOM 1141 O LYS A 72 7.649 -6.388 -12.317 1.00 0.00 O ATOM 1142 CB LYS A 72 6.085 -8.364 -14.501 1.00 0.00 C ATOM 1143 CG LYS A 72 6.899 -9.596 -14.860 1.00 0.00 C ATOM 1144 CD LYS A 72 8.367 -9.414 -14.511 1.00 0.00 C ATOM 1145 CE LYS A 72 9.056 -8.460 -15.474 1.00 0.00 C ATOM 1146 NZ LYS A 72 10.400 -8.955 -15.882 1.00 0.00 N ATOM 0 H LYS A 72 4.076 -7.519 -12.620 1.00 0.00 H new ATOM 0 HA LYS A 72 6.755 -8.732 -12.492 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.061 -8.501 -14.849 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.490 -7.503 -15.033 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.503 -10.462 -14.330 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.800 -9.801 -15.926 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.455 -9.032 -13.494 1.00 0.00 H new ATOM 0 HD3 LYS A 72 8.870 -10.381 -14.533 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.434 -8.327 -16.359 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.157 -7.481 -15.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.836 -8.276 -16.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.002 -9.058 -15.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.302 -9.877 -16.353 1.00 0.00 H new ATOM 1160 N ASP A 73 5.640 -5.671 -13.029 1.00 0.00 N ATOM 1161 CA ASP A 73 5.952 -4.260 -12.835 1.00 0.00 C ATOM 1162 C ASP A 73 5.386 -3.752 -11.512 1.00 0.00 C ATOM 1163 O ASP A 73 5.049 -2.576 -11.381 1.00 0.00 O ATOM 1164 CB ASP A 73 5.395 -3.429 -13.992 1.00 0.00 C ATOM 1165 CG ASP A 73 6.182 -3.622 -15.273 1.00 0.00 C ATOM 1166 OD1 ASP A 73 7.344 -3.165 -15.331 1.00 0.00 O ATOM 1167 OD2 ASP A 73 5.638 -4.229 -16.219 1.00 0.00 O ATOM 0 H ASP A 73 4.702 -5.849 -13.389 1.00 0.00 H new ATOM 0 HA ASP A 73 7.037 -4.155 -12.809 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.354 -3.702 -14.164 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.407 -2.374 -13.717 1.00 0.00 H new ATOM 1172 N THR A 74 5.284 -4.647 -10.536 1.00 0.00 N ATOM 1173 CA THR A 74 4.757 -4.290 -9.223 1.00 0.00 C ATOM 1174 C THR A 74 5.889 -4.014 -8.238 1.00 0.00 C ATOM 1175 O THR A 74 5.747 -4.239 -7.036 1.00 0.00 O ATOM 1176 CB THR A 74 3.862 -5.408 -8.689 1.00 0.00 C ATOM 1177 OG1 THR A 74 3.363 -5.080 -7.404 1.00 0.00 O ATOM 1178 CG2 THR A 74 4.571 -6.741 -8.579 1.00 0.00 C ATOM 0 H THR A 74 5.559 -5.625 -10.628 1.00 0.00 H new ATOM 0 HA THR A 74 4.165 -3.381 -9.332 1.00 0.00 H new ATOM 0 HB THR A 74 3.054 -5.503 -9.414 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.112 -4.900 -6.798 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.879 -7.490 -8.194 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.926 -7.047 -9.563 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.419 -6.647 -7.901 1.00 0.00 H new ATOM 1186 N HIS A 75 7.012 -3.523 -8.754 1.00 0.00 N ATOM 1187 CA HIS A 75 8.167 -3.216 -7.918 1.00 0.00 C ATOM 1188 C HIS A 75 8.862 -1.941 -8.388 1.00 0.00 C ATOM 1189 O HIS A 75 10.038 -1.721 -8.095 1.00 0.00 O ATOM 1190 CB HIS A 75 9.156 -4.382 -7.930 1.00 0.00 C ATOM 1191 CG HIS A 75 8.687 -5.572 -7.151 1.00 0.00 C ATOM 1192 ND1 HIS A 75 7.893 -5.657 -6.057 1.00 0.00 N flip ATOM 1193 CD2 HIS A 75 9.034 -6.868 -7.472 1.00 0.00 C flip ATOM 1194 CE1 HIS A 75 7.777 -6.990 -5.743 1.00 0.00 C flip ATOM 1195 NE2 HIS A 75 8.473 -7.699 -6.612 1.00 0.00 N flip ATOM 0 H HIS A 75 7.146 -3.329 -9.746 1.00 0.00 H new ATOM 0 HA HIS A 75 7.812 -3.058 -6.900 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.339 -4.682 -8.962 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.109 -4.044 -7.523 1.00 0.00 H new ATOM 0 HD1 HIS A 75 7.462 -4.878 -5.559 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.666 -7.158 -8.298 1.00 0.00 H new ATOM 0 HE1 HIS A 75 7.208 -7.393 -4.918 1.00 0.00 H new ATOM 1204 N LEU A 76 8.131 -1.101 -9.117 1.00 0.00 N ATOM 1205 CA LEU A 76 8.682 0.152 -9.624 1.00 0.00 C ATOM 1206 C LEU A 76 7.902 1.358 -9.100 1.00 0.00 C ATOM 1207 O LEU A 76 8.291 2.503 -9.330 1.00 0.00 O ATOM 1208 CB LEU A 76 8.674 0.151 -11.154 1.00 0.00 C ATOM 1209 CG LEU A 76 9.946 -0.389 -11.808 1.00 0.00 C ATOM 1210 CD1 LEU A 76 9.652 -0.900 -13.210 1.00 0.00 C ATOM 1211 CD2 LEU A 76 11.021 0.687 -11.845 1.00 0.00 C ATOM 0 H LEU A 76 7.157 -1.266 -9.369 1.00 0.00 H new ATOM 0 HA LEU A 76 9.709 0.233 -9.268 1.00 0.00 H new ATOM 0 HB2 LEU A 76 7.827 -0.443 -11.497 1.00 0.00 H new ATOM 0 HB3 LEU A 76 8.510 1.171 -11.502 1.00 0.00 H new ATOM 0 HG LEU A 76 10.313 -1.224 -11.211 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.570 -1.280 -13.659 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.915 -1.701 -13.158 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.261 -0.086 -13.819 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.920 0.287 -12.313 1.00 0.00 H new ATOM 0 HD22 LEU A 76 10.662 1.541 -12.420 1.00 0.00 H new ATOM 0 HD23 LEU A 76 11.252 1.005 -10.828 1.00 0.00 H new ATOM 1223 N TYR A 77 6.801 1.099 -8.398 1.00 0.00 N ATOM 1224 CA TYR A 77 5.976 2.169 -7.848 1.00 0.00 C ATOM 1225 C TYR A 77 6.138 2.268 -6.333 1.00 0.00 C ATOM 1226 O TYR A 77 5.824 3.296 -5.734 1.00 0.00 O ATOM 1227 CB TYR A 77 4.505 1.939 -8.200 1.00 0.00 C ATOM 1228 CG TYR A 77 4.251 1.780 -9.682 1.00 0.00 C ATOM 1229 CD1 TYR A 77 4.613 2.778 -10.578 1.00 0.00 C ATOM 1230 CD2 TYR A 77 3.651 0.633 -10.183 1.00 0.00 C ATOM 1231 CE1 TYR A 77 4.383 2.636 -11.933 1.00 0.00 C ATOM 1232 CE2 TYR A 77 3.418 0.484 -11.538 1.00 0.00 C ATOM 1233 CZ TYR A 77 3.785 1.487 -12.408 1.00 0.00 C ATOM 1234 OH TYR A 77 3.553 1.343 -13.756 1.00 0.00 O ATOM 0 H TYR A 77 6.461 0.159 -8.197 1.00 0.00 H new ATOM 0 HA TYR A 77 6.308 3.108 -8.290 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.152 1.047 -7.682 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.916 2.777 -7.828 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.081 3.679 -10.210 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.362 -0.155 -9.504 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.670 3.421 -12.617 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.950 -0.415 -11.912 1.00 0.00 H new ATOM 0 HH TYR A 77 3.126 0.477 -13.924 1.00 0.00 H new ATOM 1244 N ILE A 78 6.627 1.194 -5.718 1.00 0.00 N ATOM 1245 CA ILE A 78 6.825 1.166 -4.274 1.00 0.00 C ATOM 1246 C ILE A 78 7.982 0.246 -3.896 1.00 0.00 C ATOM 1247 O ILE A 78 8.260 -0.735 -4.586 1.00 0.00 O ATOM 1248 CB ILE A 78 5.548 0.704 -3.543 1.00 0.00 C ATOM 1249 CG1 ILE A 78 5.747 0.762 -2.027 1.00 0.00 C ATOM 1250 CG2 ILE A 78 5.163 -0.703 -3.980 1.00 0.00 C ATOM 1251 CD1 ILE A 78 4.451 0.832 -1.249 1.00 0.00 C ATOM 0 H ILE A 78 6.893 0.334 -6.197 1.00 0.00 H new ATOM 0 HA ILE A 78 7.062 2.184 -3.964 1.00 0.00 H new ATOM 0 HB ILE A 78 4.735 1.380 -3.808 1.00 0.00 H new ATOM 0 HG12 ILE A 78 6.306 -0.118 -1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 78 6.356 1.632 -1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.260 -1.013 -3.454 1.00 0.00 H new ATOM 0 HG22 ILE A 78 4.979 -0.713 -5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.974 -1.392 -3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 78 4.669 0.871 -0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.900 1.727 -1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 78 3.849 -0.051 -1.465 1.00 0.00 H new ATOM 1263 N ALA A 79 8.653 0.571 -2.795 1.00 0.00 N ATOM 1264 CA ALA A 79 9.779 -0.226 -2.324 1.00 0.00 C ATOM 1265 C ALA A 79 9.892 -0.169 -0.801 1.00 0.00 C ATOM 1266 O ALA A 79 9.717 0.890 -0.198 1.00 0.00 O ATOM 1267 CB ALA A 79 11.070 0.256 -2.968 1.00 0.00 C ATOM 0 H ALA A 79 8.436 1.380 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 79 9.606 -1.263 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 79 11.903 -0.347 -2.608 1.00 0.00 H new ATOM 0 HB2 ALA A 79 10.994 0.160 -4.051 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.239 1.301 -2.707 1.00 0.00 H new ATOM 1273 N PRO A 80 10.187 -1.313 -0.154 1.00 0.00 N ATOM 1274 CA PRO A 80 10.322 -1.380 1.305 1.00 0.00 C ATOM 1275 C PRO A 80 11.326 -0.366 1.842 1.00 0.00 C ATOM 1276 O PRO A 80 12.464 -0.299 1.377 1.00 0.00 O ATOM 1277 CB PRO A 80 10.820 -2.806 1.556 1.00 0.00 C ATOM 1278 CG PRO A 80 10.372 -3.582 0.367 1.00 0.00 C ATOM 1279 CD PRO A 80 10.414 -2.624 -0.791 1.00 0.00 C ATOM 0 HA PRO A 80 9.384 -1.148 1.809 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.905 -2.833 1.660 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.401 -3.215 2.476 1.00 0.00 H new ATOM 0 HG2 PRO A 80 11.025 -4.437 0.190 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.365 -3.974 0.513 1.00 0.00 H new ATOM 0 HD2 PRO A 80 11.373 -2.660 -1.308 1.00 0.00 H new ATOM 0 HD3 PRO A 80 9.645 -2.851 -1.529 1.00 0.00 H new ATOM 1287 N LYS A 81 10.899 0.421 2.824 1.00 0.00 N ATOM 1288 CA LYS A 81 11.762 1.430 3.425 1.00 0.00 C ATOM 1289 C LYS A 81 11.706 1.357 4.948 1.00 0.00 C ATOM 1290 O LYS A 81 11.231 2.281 5.608 1.00 0.00 O ATOM 1291 CB LYS A 81 11.356 2.827 2.953 1.00 0.00 C ATOM 1292 CG LYS A 81 12.438 3.877 3.158 1.00 0.00 C ATOM 1293 CD LYS A 81 11.843 5.227 3.527 1.00 0.00 C ATOM 1294 CE LYS A 81 12.531 6.362 2.785 1.00 0.00 C ATOM 1295 NZ LYS A 81 12.598 7.602 3.606 1.00 0.00 N ATOM 0 H LYS A 81 9.960 0.379 3.220 1.00 0.00 H new ATOM 0 HA LYS A 81 12.786 1.232 3.108 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.099 2.784 1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 81 10.457 3.135 3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.118 3.551 3.945 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.028 3.975 2.247 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.778 5.232 3.295 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.935 5.385 4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.540 6.056 2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 81 11.994 6.568 1.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.074 8.352 3.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 11.635 7.909 3.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.132 7.413 4.478 1.00 0.00 H new