USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 704 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 64 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 67 GLN : amide:sc= -1.47 K(o=-4.8,f=-7.4!) USER MOD Set 1.3: A 75 HIS : no HE2:sc= -3.3! C(o=-4.8!,f=-14!) USER MOD Set 2.1: A 7 TYR OH : rot 180:sc=-0.00138 USER MOD Set 2.2: A 65 MET CE :methyl 171:sc= -2.09 (180deg=-2.51!) USER MOD Single : A 1 MET CE :methyl 160:sc= -1.23 (180deg=-2.49) USER MOD Single : A 1 MET N :NH3+ -112:sc= -3.3! (180deg=-6.18!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc=-4.15e-05 K(o=-4.1e-05,f=-0.76) USER MOD Single : A 12 HIS : no HD1:sc= -0.395 X(o=-0.4,f=-0.45) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -0.793 X(o=-0.79,f=-0.38) USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000783) USER MOD Single : A 25 THR OG1 : rot 76:sc= 0.326 USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.0211 (180deg=-0.206) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.47! C(o=-1.5!,f=-4.9!) USER MOD Single : A 35 ASN : amide:sc= -0.783 K(o=-0.78,f=-5.5!) USER MOD Single : A 37 MET CE :methyl 137:sc= -5.39! (180deg=-8.14!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 60 GLN : amide:sc= 0.118 K(o=0.12,f=-2.1!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.096) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.814 0.779 -5.481 1.00 0.00 N ATOM 2 CA MET A 1 -10.747 -0.254 -5.372 1.00 0.00 C ATOM 3 C MET A 1 -9.555 0.251 -4.569 1.00 0.00 C ATOM 4 O MET A 1 -8.979 1.293 -4.881 1.00 0.00 O ATOM 5 CB MET A 1 -10.324 -0.634 -6.789 1.00 0.00 C ATOM 6 CG MET A 1 -9.247 -1.692 -6.879 1.00 0.00 C ATOM 7 SD MET A 1 -8.727 -1.995 -8.578 1.00 0.00 S ATOM 8 CE MET A 1 -7.878 -0.465 -8.953 1.00 0.00 C ATOM 0 H1 MET A 1 -12.649 0.474 -4.941 1.00 0.00 H new ATOM 0 H2 MET A 1 -11.464 1.681 -5.099 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.075 0.904 -6.480 1.00 0.00 H new ATOM 0 HA MET A 1 -11.132 -1.124 -4.840 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.202 -0.985 -7.331 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.973 0.263 -7.299 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.386 -1.382 -6.287 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.615 -2.621 -6.443 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.209 -0.618 -9.800 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.608 0.305 -9.202 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.298 -0.149 -8.086 1.00 0.00 H new ATOM 20 N PHE A 2 -9.192 -0.492 -3.528 1.00 0.00 N ATOM 21 CA PHE A 2 -8.074 -0.109 -2.680 1.00 0.00 C ATOM 22 C PHE A 2 -6.789 -0.036 -3.488 1.00 0.00 C ATOM 23 O PHE A 2 -6.645 -0.705 -4.512 1.00 0.00 O ATOM 24 CB PHE A 2 -7.910 -1.094 -1.519 1.00 0.00 C ATOM 25 CG PHE A 2 -8.992 -0.989 -0.483 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.181 -1.682 -0.630 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.816 -0.198 0.641 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.177 -1.590 0.323 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.808 -0.101 1.598 1.00 0.00 C ATOM 30 CZ PHE A 2 -10.989 -0.798 1.439 1.00 0.00 C ATOM 0 H PHE A 2 -9.655 -1.359 -3.254 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.286 0.878 -2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -7.895 -2.110 -1.915 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -6.945 -0.923 -1.042 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.332 -2.303 -1.501 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.894 0.349 0.770 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -12.100 -2.136 0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.660 0.519 2.469 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.765 -0.724 2.186 1.00 0.00 H new ATOM 40 N LYS A 3 -5.861 0.786 -3.023 1.00 0.00 N ATOM 41 CA LYS A 3 -4.586 0.960 -3.701 1.00 0.00 C ATOM 42 C LYS A 3 -3.436 0.802 -2.719 1.00 0.00 C ATOM 43 O LYS A 3 -3.366 1.512 -1.719 1.00 0.00 O ATOM 44 CB LYS A 3 -4.528 2.342 -4.349 1.00 0.00 C ATOM 45 CG LYS A 3 -5.058 2.372 -5.772 1.00 0.00 C ATOM 46 CD LYS A 3 -6.560 2.609 -5.798 1.00 0.00 C ATOM 47 CE LYS A 3 -6.944 3.655 -6.833 1.00 0.00 C ATOM 48 NZ LYS A 3 -6.697 5.039 -6.343 1.00 0.00 N ATOM 0 H LYS A 3 -5.968 1.345 -2.176 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.494 0.196 -4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.102 3.042 -3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.495 2.691 -4.348 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.554 3.159 -6.333 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.828 1.429 -6.268 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.073 1.673 -6.018 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.895 2.932 -4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.375 3.487 -7.747 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -7.998 3.543 -7.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.972 5.722 -7.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.259 5.209 -5.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -5.687 5.154 -6.123 1.00 0.00 H new ATOM 62 N VAL A 4 -2.536 -0.131 -2.999 1.00 0.00 N ATOM 63 CA VAL A 4 -1.397 -0.358 -2.120 1.00 0.00 C ATOM 64 C VAL A 4 -0.109 0.196 -2.716 1.00 0.00 C ATOM 65 O VAL A 4 0.178 0.005 -3.896 1.00 0.00 O ATOM 66 CB VAL A 4 -1.195 -1.859 -1.805 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.220 -2.127 -1.316 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.195 -2.330 -0.767 1.00 0.00 C ATOM 0 H VAL A 4 -2.571 -0.737 -3.819 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.624 0.170 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.356 -2.415 -2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.336 -3.189 -1.102 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.933 -1.832 -2.086 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.407 -1.551 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.034 -3.388 -0.561 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.063 -1.758 0.151 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.207 -2.183 -1.144 1.00 0.00 H new ATOM 78 N TYR A 5 0.676 0.851 -1.872 1.00 0.00 N ATOM 79 CA TYR A 5 1.955 1.412 -2.278 1.00 0.00 C ATOM 80 C TYR A 5 3.072 0.703 -1.529 1.00 0.00 C ATOM 81 O TYR A 5 3.334 1.004 -0.365 1.00 0.00 O ATOM 82 CB TYR A 5 2.012 2.912 -1.987 1.00 0.00 C ATOM 83 CG TYR A 5 1.260 3.764 -2.984 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.068 3.502 -3.288 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.879 4.837 -3.613 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.760 4.287 -4.191 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.194 5.626 -4.518 1.00 0.00 C ATOM 88 CZ TYR A 5 -0.125 5.347 -4.803 1.00 0.00 C ATOM 89 OH TYR A 5 -0.812 6.130 -5.703 1.00 0.00 O ATOM 0 H TYR A 5 0.445 1.008 -0.891 1.00 0.00 H new ATOM 0 HA TYR A 5 2.075 1.268 -3.352 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.607 3.094 -0.992 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.055 3.228 -1.969 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.569 2.672 -2.812 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.913 5.058 -3.391 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.794 4.071 -4.416 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.690 6.456 -4.999 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.221 6.834 -6.042 1.00 0.00 H new ATOM 99 N GLY A 6 3.715 -0.249 -2.186 1.00 0.00 N ATOM 100 CA GLY A 6 4.783 -0.985 -1.541 1.00 0.00 C ATOM 101 C GLY A 6 5.736 -1.611 -2.532 1.00 0.00 C ATOM 102 O GLY A 6 6.152 -0.966 -3.494 1.00 0.00 O ATOM 0 H GLY A 6 3.519 -0.525 -3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.336 -0.314 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.354 -1.765 -0.912 1.00 0.00 H new ATOM 106 N TYR A 7 6.094 -2.864 -2.291 1.00 0.00 N ATOM 107 CA TYR A 7 7.014 -3.566 -3.157 1.00 0.00 C ATOM 108 C TYR A 7 6.380 -4.815 -3.757 1.00 0.00 C ATOM 109 O TYR A 7 5.559 -5.475 -3.122 1.00 0.00 O ATOM 110 CB TYR A 7 8.255 -3.939 -2.362 1.00 0.00 C ATOM 111 CG TYR A 7 9.032 -2.742 -1.866 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.726 -1.927 -2.751 1.00 0.00 C ATOM 113 CD2 TYR A 7 9.062 -2.420 -0.515 1.00 0.00 C ATOM 114 CE1 TYR A 7 10.430 -0.827 -2.302 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.765 -1.321 -0.060 1.00 0.00 C ATOM 116 CZ TYR A 7 10.447 -0.528 -0.957 1.00 0.00 C ATOM 117 OH TYR A 7 11.144 0.570 -0.508 1.00 0.00 O ATOM 0 H TYR A 7 5.757 -3.412 -1.499 1.00 0.00 H new ATOM 0 HA TYR A 7 7.282 -2.908 -3.984 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.961 -4.551 -1.509 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.906 -4.553 -2.985 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.715 -2.157 -3.806 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.527 -3.038 0.191 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.965 -0.203 -3.003 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.780 -1.085 0.994 1.00 0.00 H new ATOM 0 HH TYR A 7 11.053 0.640 0.465 1.00 0.00 H new ATOM 127 N ASP A 8 6.775 -5.135 -4.985 1.00 0.00 N ATOM 128 CA ASP A 8 6.256 -6.307 -5.679 1.00 0.00 C ATOM 129 C ASP A 8 7.184 -7.499 -5.479 1.00 0.00 C ATOM 130 O ASP A 8 8.408 -7.356 -5.506 1.00 0.00 O ATOM 131 CB ASP A 8 6.098 -6.013 -7.172 1.00 0.00 C ATOM 132 CG ASP A 8 5.246 -7.048 -7.880 1.00 0.00 C ATOM 133 OD1 ASP A 8 4.004 -6.953 -7.794 1.00 0.00 O ATOM 134 OD2 ASP A 8 5.822 -7.953 -8.520 1.00 0.00 O ATOM 0 H ASP A 8 7.455 -4.597 -5.521 1.00 0.00 H new ATOM 0 HA ASP A 8 5.279 -6.550 -5.261 1.00 0.00 H new ATOM 0 HB2 ASP A 8 5.649 -5.028 -7.300 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.083 -5.977 -7.638 1.00 0.00 H new ATOM 139 N SER A 9 6.600 -8.675 -5.276 1.00 0.00 N ATOM 140 CA SER A 9 7.376 -9.895 -5.068 1.00 0.00 C ATOM 141 C SER A 9 8.417 -10.093 -6.169 1.00 0.00 C ATOM 142 O SER A 9 9.427 -10.767 -5.964 1.00 0.00 O ATOM 143 CB SER A 9 6.447 -11.109 -5.012 1.00 0.00 C ATOM 144 OG SER A 9 5.693 -11.229 -6.207 1.00 0.00 O ATOM 0 H SER A 9 5.589 -8.811 -5.251 1.00 0.00 H new ATOM 0 HA SER A 9 7.902 -9.794 -4.118 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.035 -12.014 -4.856 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.773 -11.016 -4.160 1.00 0.00 H new ATOM 0 HG SER A 9 5.108 -12.013 -6.147 1.00 0.00 H new ATOM 150 N ASN A 10 8.164 -9.511 -7.339 1.00 0.00 N ATOM 151 CA ASN A 10 9.078 -9.636 -8.470 1.00 0.00 C ATOM 152 C ASN A 10 10.341 -8.803 -8.265 1.00 0.00 C ATOM 153 O ASN A 10 11.448 -9.260 -8.551 1.00 0.00 O ATOM 154 CB ASN A 10 8.382 -9.215 -9.765 1.00 0.00 C ATOM 155 CG ASN A 10 8.988 -9.881 -10.985 1.00 0.00 C ATOM 156 OD1 ASN A 10 10.138 -10.321 -10.959 1.00 0.00 O ATOM 157 ND2 ASN A 10 8.217 -9.957 -12.063 1.00 0.00 N ATOM 0 H ASN A 10 7.334 -8.949 -7.528 1.00 0.00 H new ATOM 0 HA ASN A 10 9.372 -10.683 -8.542 1.00 0.00 H new ATOM 0 HB2 ASN A 10 7.323 -9.467 -9.704 1.00 0.00 H new ATOM 0 HB3 ASN A 10 8.447 -8.132 -9.875 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.572 -10.393 -12.914 1.00 0.00 H new ATOM 0 HD22 ASN A 10 7.270 -9.579 -12.040 1.00 0.00 H new ATOM 164 N ILE A 11 10.170 -7.576 -7.780 1.00 0.00 N ATOM 165 CA ILE A 11 11.302 -6.682 -7.555 1.00 0.00 C ATOM 166 C ILE A 11 11.879 -6.841 -6.151 1.00 0.00 C ATOM 167 O ILE A 11 13.097 -6.887 -5.974 1.00 0.00 O ATOM 168 CB ILE A 11 10.908 -5.204 -7.767 1.00 0.00 C ATOM 169 CG1 ILE A 11 9.990 -5.061 -8.982 1.00 0.00 C ATOM 170 CG2 ILE A 11 12.149 -4.341 -7.934 1.00 0.00 C ATOM 171 CD1 ILE A 11 10.568 -5.640 -10.255 1.00 0.00 C ATOM 0 H ILE A 11 9.262 -7.179 -7.536 1.00 0.00 H new ATOM 0 HA ILE A 11 12.061 -6.962 -8.286 1.00 0.00 H new ATOM 0 HB ILE A 11 10.366 -4.863 -6.885 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.041 -5.552 -8.768 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.773 -4.004 -9.140 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.853 -3.303 -8.082 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.768 -4.418 -7.040 1.00 0.00 H new ATOM 0 HG23 ILE A 11 12.717 -4.684 -8.799 1.00 0.00 H new ATOM 0 HD11 ILE A 11 9.860 -5.501 -11.072 1.00 0.00 H new ATOM 0 HD12 ILE A 11 11.502 -5.132 -10.494 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.758 -6.704 -10.117 1.00 0.00 H new ATOM 183 N HIS A 12 11.004 -6.921 -5.153 1.00 0.00 N ATOM 184 CA HIS A 12 11.437 -7.067 -3.771 1.00 0.00 C ATOM 185 C HIS A 12 10.474 -7.952 -2.983 1.00 0.00 C ATOM 186 O HIS A 12 9.318 -8.122 -3.368 1.00 0.00 O ATOM 187 CB HIS A 12 11.555 -5.691 -3.111 1.00 0.00 C ATOM 188 CG HIS A 12 12.087 -5.730 -1.713 1.00 0.00 C ATOM 189 ND1 HIS A 12 13.324 -6.226 -1.375 1.00 0.00 N ATOM 190 CD2 HIS A 12 11.520 -5.314 -0.552 1.00 0.00 C ATOM 191 CE1 HIS A 12 13.469 -6.103 -0.048 1.00 0.00 C ATOM 192 NE2 HIS A 12 12.402 -5.554 0.499 1.00 0.00 N ATOM 0 H HIS A 12 9.992 -6.887 -5.277 1.00 0.00 H new ATOM 0 HA HIS A 12 12.415 -7.549 -3.768 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.206 -5.062 -3.719 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.573 -5.218 -3.102 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.541 -4.868 -0.458 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.345 -6.413 0.502 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.253 -5.348 1.487 1.00 0.00 H new ATOM 200 N LYS A 13 10.961 -8.520 -1.883 1.00 0.00 N ATOM 201 CA LYS A 13 10.144 -9.397 -1.047 1.00 0.00 C ATOM 202 C LYS A 13 9.226 -8.600 -0.126 1.00 0.00 C ATOM 203 O LYS A 13 9.449 -7.416 0.127 1.00 0.00 O ATOM 204 CB LYS A 13 11.033 -10.324 -0.214 1.00 0.00 C ATOM 205 CG LYS A 13 11.343 -11.644 -0.899 1.00 0.00 C ATOM 206 CD LYS A 13 10.170 -12.606 -0.808 1.00 0.00 C ATOM 207 CE LYS A 13 9.866 -12.977 0.634 1.00 0.00 C ATOM 208 NZ LYS A 13 9.027 -14.204 0.729 1.00 0.00 N ATOM 0 H LYS A 13 11.916 -8.389 -1.549 1.00 0.00 H new ATOM 0 HA LYS A 13 9.522 -9.995 -1.713 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.969 -9.812 0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.543 -10.525 0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.587 -11.464 -1.946 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.222 -12.096 -0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.289 -12.152 -1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.393 -13.508 -1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.800 -13.134 1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.353 -12.148 1.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.843 -14.422 1.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.124 -14.046 0.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.527 -15.002 0.287 1.00 0.00 H new ATOM 222 N CYS A 14 8.194 -9.272 0.380 1.00 0.00 N ATOM 223 CA CYS A 14 7.232 -8.654 1.286 1.00 0.00 C ATOM 224 C CYS A 14 6.349 -9.720 1.931 1.00 0.00 C ATOM 225 O CYS A 14 5.569 -10.386 1.254 1.00 0.00 O ATOM 226 CB CYS A 14 6.365 -7.632 0.544 1.00 0.00 C ATOM 227 SG CYS A 14 5.478 -8.302 -0.903 1.00 0.00 S ATOM 0 H CYS A 14 8.003 -10.253 0.175 1.00 0.00 H new ATOM 0 HA CYS A 14 7.786 -8.134 2.067 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.637 -7.218 1.241 1.00 0.00 H new ATOM 0 HB3 CYS A 14 6.998 -6.807 0.217 1.00 0.00 H new ATOM 232 N VAL A 15 6.487 -9.884 3.241 1.00 0.00 N ATOM 233 CA VAL A 15 5.707 -10.880 3.972 1.00 0.00 C ATOM 234 C VAL A 15 4.398 -10.293 4.488 1.00 0.00 C ATOM 235 O VAL A 15 3.406 -11.006 4.644 1.00 0.00 O ATOM 236 CB VAL A 15 6.501 -11.458 5.159 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.543 -12.452 4.670 1.00 0.00 C ATOM 238 CG2 VAL A 15 7.152 -10.340 5.961 1.00 0.00 C ATOM 0 H VAL A 15 7.129 -9.343 3.819 1.00 0.00 H new ATOM 0 HA VAL A 15 5.486 -11.681 3.267 1.00 0.00 H new ATOM 0 HB VAL A 15 5.808 -11.987 5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.094 -12.850 5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.048 -13.269 4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.234 -11.951 3.993 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.708 -10.767 6.795 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.833 -9.781 5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.382 -9.670 6.344 1.00 0.00 H new ATOM 248 N TYR A 16 4.398 -8.991 4.752 1.00 0.00 N ATOM 249 CA TYR A 16 3.207 -8.315 5.251 1.00 0.00 C ATOM 250 C TYR A 16 2.296 -7.884 4.102 1.00 0.00 C ATOM 251 O TYR A 16 1.116 -7.597 4.310 1.00 0.00 O ATOM 252 CB TYR A 16 3.595 -7.105 6.105 1.00 0.00 C ATOM 253 CG TYR A 16 3.501 -7.366 7.593 1.00 0.00 C ATOM 254 CD1 TYR A 16 2.292 -7.238 8.264 1.00 0.00 C ATOM 255 CD2 TYR A 16 4.621 -7.743 8.325 1.00 0.00 C ATOM 256 CE1 TYR A 16 2.200 -7.479 9.622 1.00 0.00 C ATOM 257 CE2 TYR A 16 4.537 -7.986 9.682 1.00 0.00 C ATOM 258 CZ TYR A 16 3.324 -7.854 10.326 1.00 0.00 C ATOM 259 OH TYR A 16 3.237 -8.096 11.677 1.00 0.00 O ATOM 0 H TYR A 16 5.208 -8.384 4.629 1.00 0.00 H new ATOM 0 HA TYR A 16 2.657 -9.021 5.873 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.614 -6.808 5.859 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.948 -6.266 5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.409 -6.945 7.716 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.572 -7.848 7.824 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.252 -7.374 10.129 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.417 -8.278 10.236 1.00 0.00 H new ATOM 0 HH TYR A 16 4.118 -8.351 12.021 1.00 0.00 H new ATOM 269 N CYS A 17 2.843 -7.847 2.889 1.00 0.00 N ATOM 270 CA CYS A 17 2.062 -7.461 1.721 1.00 0.00 C ATOM 271 C CYS A 17 0.997 -8.513 1.430 1.00 0.00 C ATOM 272 O CYS A 17 -0.137 -8.188 1.082 1.00 0.00 O ATOM 273 CB CYS A 17 2.973 -7.275 0.501 1.00 0.00 C ATOM 274 SG CYS A 17 3.656 -8.827 -0.171 1.00 0.00 S ATOM 0 H CYS A 17 3.817 -8.078 2.692 1.00 0.00 H new ATOM 0 HA CYS A 17 1.570 -6.511 1.931 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.410 -6.770 -0.284 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.798 -6.618 0.775 1.00 0.00 H new ATOM 279 N ASP A 18 1.376 -9.777 1.587 1.00 0.00 N ATOM 280 CA ASP A 18 0.467 -10.891 1.348 1.00 0.00 C ATOM 281 C ASP A 18 -0.683 -10.887 2.355 1.00 0.00 C ATOM 282 O ASP A 18 -1.768 -11.396 2.072 1.00 0.00 O ATOM 283 CB ASP A 18 1.225 -12.217 1.434 1.00 0.00 C ATOM 284 CG ASP A 18 0.519 -13.337 0.696 1.00 0.00 C ATOM 285 OD1 ASP A 18 -0.516 -13.821 1.201 1.00 0.00 O ATOM 286 OD2 ASP A 18 0.999 -13.729 -0.389 1.00 0.00 O ATOM 0 H ASP A 18 2.312 -10.056 1.880 1.00 0.00 H new ATOM 0 HA ASP A 18 0.049 -10.777 0.348 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.225 -12.088 1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.346 -12.496 2.481 1.00 0.00 H new ATOM 291 N ASN A 19 -0.436 -10.319 3.531 1.00 0.00 N ATOM 292 CA ASN A 19 -1.451 -10.257 4.578 1.00 0.00 C ATOM 293 C ASN A 19 -2.576 -9.300 4.197 1.00 0.00 C ATOM 294 O ASN A 19 -3.746 -9.681 4.180 1.00 0.00 O ATOM 295 CB ASN A 19 -0.823 -9.822 5.905 1.00 0.00 C ATOM 296 CG ASN A 19 -0.003 -10.927 6.544 1.00 0.00 C ATOM 297 OD1 ASN A 19 -0.457 -11.594 7.474 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.213 -11.124 6.048 1.00 0.00 N ATOM 0 H ASN A 19 0.457 -9.895 3.783 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.874 -11.255 4.693 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.188 -8.953 5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.610 -9.513 6.593 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.811 -11.852 6.439 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.549 -10.547 5.276 1.00 0.00 H new ATOM 305 N ALA A 20 -2.218 -8.056 3.893 1.00 0.00 N ATOM 306 CA ALA A 20 -3.202 -7.047 3.513 1.00 0.00 C ATOM 307 C ALA A 20 -4.088 -7.544 2.376 1.00 0.00 C ATOM 308 O ALA A 20 -5.307 -7.378 2.404 1.00 0.00 O ATOM 309 CB ALA A 20 -2.506 -5.755 3.115 1.00 0.00 C ATOM 0 H ALA A 20 -1.254 -7.722 3.902 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.838 -6.853 4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.252 -5.012 2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.921 -5.383 3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.845 -5.943 2.269 1.00 0.00 H new ATOM 315 N LYS A 21 -3.464 -8.163 1.380 1.00 0.00 N ATOM 316 CA LYS A 21 -4.188 -8.692 0.229 1.00 0.00 C ATOM 317 C LYS A 21 -5.204 -9.743 0.666 1.00 0.00 C ATOM 318 O LYS A 21 -6.384 -9.660 0.325 1.00 0.00 O ATOM 319 CB LYS A 21 -3.203 -9.296 -0.776 1.00 0.00 C ATOM 320 CG LYS A 21 -3.869 -9.924 -1.991 1.00 0.00 C ATOM 321 CD LYS A 21 -3.154 -11.193 -2.426 1.00 0.00 C ATOM 322 CE LYS A 21 -3.945 -11.942 -3.486 1.00 0.00 C ATOM 323 NZ LYS A 21 -4.042 -11.171 -4.757 1.00 0.00 N ATOM 0 H LYS A 21 -2.455 -8.311 1.346 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.726 -7.873 -0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.518 -8.517 -1.111 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.603 -10.053 -0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.909 -10.153 -1.759 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.876 -9.209 -2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.168 -10.941 -2.817 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.999 -11.839 -1.562 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.471 -12.904 -3.681 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.947 -12.151 -3.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.574 -11.724 -5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.533 -10.271 -4.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.087 -10.979 -5.120 1.00 0.00 H new ATOM 337 N ARG A 22 -4.737 -10.732 1.423 1.00 0.00 N ATOM 338 CA ARG A 22 -5.605 -11.802 1.907 1.00 0.00 C ATOM 339 C ARG A 22 -6.777 -11.234 2.701 1.00 0.00 C ATOM 340 O ARG A 22 -7.900 -11.730 2.614 1.00 0.00 O ATOM 341 CB ARG A 22 -4.811 -12.779 2.776 1.00 0.00 C ATOM 342 CG ARG A 22 -5.503 -14.117 2.976 1.00 0.00 C ATOM 343 CD ARG A 22 -5.303 -14.644 4.389 1.00 0.00 C ATOM 344 NE ARG A 22 -5.265 -16.103 4.429 1.00 0.00 N ATOM 345 CZ ARG A 22 -4.209 -16.828 4.068 1.00 0.00 C ATOM 346 NH1 ARG A 22 -3.102 -16.232 3.641 1.00 0.00 N ATOM 347 NH2 ARG A 22 -4.259 -18.150 4.133 1.00 0.00 N ATOM 0 H ARG A 22 -3.763 -10.815 1.715 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.999 -12.335 1.042 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.836 -12.949 2.319 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.632 -12.323 3.750 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.569 -14.010 2.774 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.114 -14.840 2.259 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.373 -14.246 4.796 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.110 -14.285 5.027 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.097 -16.596 4.753 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.058 -15.214 3.589 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.295 -16.792 3.365 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.107 -18.613 4.460 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.449 -18.705 3.856 1.00 0.00 H new ATOM 361 N LEU A 23 -6.505 -10.189 3.474 1.00 0.00 N ATOM 362 CA LEU A 23 -7.534 -9.543 4.282 1.00 0.00 C ATOM 363 C LEU A 23 -8.671 -9.041 3.399 1.00 0.00 C ATOM 364 O LEU A 23 -9.840 -9.345 3.639 1.00 0.00 O ATOM 365 CB LEU A 23 -6.921 -8.382 5.077 1.00 0.00 C ATOM 366 CG LEU A 23 -7.912 -7.334 5.597 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.338 -6.615 6.806 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.258 -6.336 4.503 1.00 0.00 C ATOM 0 H LEU A 23 -5.579 -9.770 3.559 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.942 -10.274 4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.378 -8.795 5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.189 -7.880 4.445 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.826 -7.846 5.898 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.054 -5.875 7.163 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.138 -7.337 7.598 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.410 -6.117 6.526 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.962 -5.600 4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.351 -5.830 4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.709 -6.861 3.661 1.00 0.00 H new ATOM 380 N LEU A 24 -8.318 -8.271 2.376 1.00 0.00 N ATOM 381 CA LEU A 24 -9.304 -7.722 1.454 1.00 0.00 C ATOM 382 C LEU A 24 -10.123 -8.835 0.808 1.00 0.00 C ATOM 383 O LEU A 24 -11.351 -8.763 0.755 1.00 0.00 O ATOM 384 CB LEU A 24 -8.613 -6.885 0.379 1.00 0.00 C ATOM 385 CG LEU A 24 -8.085 -5.534 0.862 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.793 -5.178 0.149 1.00 0.00 C ATOM 387 CD2 LEU A 24 -9.126 -4.450 0.645 1.00 0.00 C ATOM 0 H LEU A 24 -7.354 -8.013 2.164 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.982 -7.083 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.782 -7.459 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.315 -6.715 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.878 -5.608 1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.434 -4.213 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.043 -5.942 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.973 -5.122 -0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.735 -3.494 0.994 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.362 -4.379 -0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -10.030 -4.697 1.202 1.00 0.00 H new ATOM 399 N THR A 25 -9.438 -9.866 0.325 1.00 0.00 N ATOM 400 CA THR A 25 -10.109 -10.996 -0.307 1.00 0.00 C ATOM 401 C THR A 25 -11.135 -11.604 0.644 1.00 0.00 C ATOM 402 O THR A 25 -12.184 -12.089 0.220 1.00 0.00 O ATOM 403 CB THR A 25 -9.090 -12.057 -0.725 1.00 0.00 C ATOM 404 OG1 THR A 25 -8.003 -11.465 -1.415 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.675 -13.128 -1.621 1.00 0.00 C ATOM 0 H THR A 25 -8.421 -9.943 0.359 1.00 0.00 H new ATOM 0 HA THR A 25 -10.625 -10.635 -1.197 1.00 0.00 H new ATOM 0 HB THR A 25 -8.761 -12.523 0.204 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.416 -11.013 -0.774 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.900 -13.849 -1.881 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.484 -13.638 -1.098 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.063 -12.669 -2.530 1.00 0.00 H new ATOM 413 N VAL A 26 -10.821 -11.562 1.935 1.00 0.00 N ATOM 414 CA VAL A 26 -11.706 -12.095 2.962 1.00 0.00 C ATOM 415 C VAL A 26 -12.847 -11.123 3.252 1.00 0.00 C ATOM 416 O VAL A 26 -13.950 -11.531 3.614 1.00 0.00 O ATOM 417 CB VAL A 26 -10.937 -12.377 4.267 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.845 -13.017 5.306 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.727 -13.259 3.992 1.00 0.00 C ATOM 0 H VAL A 26 -9.955 -11.162 2.295 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.116 -13.031 2.583 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.586 -11.426 4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.278 -13.206 6.218 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.675 -12.346 5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.234 -13.959 4.919 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.195 -13.448 4.924 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.057 -14.206 3.564 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.062 -12.755 3.291 1.00 0.00 H new ATOM 429 N LYS A 27 -12.569 -9.833 3.087 1.00 0.00 N ATOM 430 CA LYS A 27 -13.566 -8.797 3.327 1.00 0.00 C ATOM 431 C LYS A 27 -14.487 -8.624 2.118 1.00 0.00 C ATOM 432 O LYS A 27 -15.508 -7.939 2.200 1.00 0.00 O ATOM 433 CB LYS A 27 -12.878 -7.467 3.653 1.00 0.00 C ATOM 434 CG LYS A 27 -12.750 -7.194 5.144 1.00 0.00 C ATOM 435 CD LYS A 27 -14.025 -6.593 5.713 1.00 0.00 C ATOM 436 CE LYS A 27 -14.280 -7.070 7.133 1.00 0.00 C ATOM 437 NZ LYS A 27 -14.657 -8.509 7.176 1.00 0.00 N ATOM 0 H LYS A 27 -11.660 -9.481 2.788 1.00 0.00 H new ATOM 0 HA LYS A 27 -14.174 -9.107 4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.884 -7.463 3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.439 -6.655 3.191 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.520 -8.123 5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.916 -6.514 5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.953 -5.505 5.701 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.870 -6.863 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.386 -6.911 7.735 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.075 -6.473 7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.156 -8.711 8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -15.279 -8.729 6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.799 -9.094 7.120 1.00 0.00 H new ATOM 451 N LYS A 28 -14.123 -9.243 0.995 1.00 0.00 N ATOM 452 CA LYS A 28 -14.920 -9.151 -0.225 1.00 0.00 C ATOM 453 C LYS A 28 -14.873 -7.736 -0.796 1.00 0.00 C ATOM 454 O LYS A 28 -15.900 -7.066 -0.912 1.00 0.00 O ATOM 455 CB LYS A 28 -16.370 -9.560 0.050 1.00 0.00 C ATOM 456 CG LYS A 28 -16.499 -10.851 0.841 1.00 0.00 C ATOM 457 CD LYS A 28 -16.933 -12.009 -0.045 1.00 0.00 C ATOM 458 CE LYS A 28 -15.922 -12.274 -1.150 1.00 0.00 C ATOM 459 NZ LYS A 28 -16.464 -13.195 -2.188 1.00 0.00 N ATOM 0 H LYS A 28 -13.282 -9.813 0.906 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.496 -9.835 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.867 -8.758 0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.893 -9.672 -0.900 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.544 -11.088 1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.223 -10.715 1.644 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.055 -12.907 0.561 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.905 -11.787 -0.485 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -15.636 -11.330 -1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.018 -12.704 -0.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.745 -13.351 -2.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.713 -14.104 -1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.313 -12.774 -2.617 1.00 0.00 H new ATOM 473 N GLN A 29 -13.674 -7.287 -1.146 1.00 0.00 N ATOM 474 CA GLN A 29 -13.490 -5.951 -1.698 1.00 0.00 C ATOM 475 C GLN A 29 -12.444 -5.956 -2.811 1.00 0.00 C ATOM 476 O GLN A 29 -11.412 -6.619 -2.696 1.00 0.00 O ATOM 477 CB GLN A 29 -13.063 -4.984 -0.592 1.00 0.00 C ATOM 478 CG GLN A 29 -14.229 -4.368 0.165 1.00 0.00 C ATOM 479 CD GLN A 29 -14.862 -3.207 -0.575 1.00 0.00 C ATOM 480 OE1 GLN A 29 -15.389 -3.370 -1.675 1.00 0.00 O ATOM 481 NE2 GLN A 29 -14.814 -2.025 0.027 1.00 0.00 N ATOM 0 H GLN A 29 -12.814 -7.829 -1.057 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.440 -5.624 -2.121 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.422 -5.513 0.113 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.464 -4.186 -1.031 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -14.984 -5.133 0.345 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.883 -4.026 1.140 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.367 -1.935 0.939 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.224 -1.207 -0.423 1.00 0.00 H new ATOM 490 N PRO A 30 -12.685 -5.204 -3.900 1.00 0.00 N ATOM 491 CA PRO A 30 -11.748 -5.119 -5.020 1.00 0.00 C ATOM 492 C PRO A 30 -10.615 -4.150 -4.718 1.00 0.00 C ATOM 493 O PRO A 30 -10.841 -3.094 -4.130 1.00 0.00 O ATOM 494 CB PRO A 30 -12.621 -4.577 -6.145 1.00 0.00 C ATOM 495 CG PRO A 30 -13.585 -3.688 -5.444 1.00 0.00 C ATOM 496 CD PRO A 30 -13.879 -4.364 -4.128 1.00 0.00 C ATOM 0 HA PRO A 30 -11.270 -6.071 -5.250 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.032 -4.029 -6.880 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.131 -5.379 -6.679 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.161 -2.696 -5.289 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.495 -3.558 -6.030 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.019 -3.639 -3.326 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -14.788 -4.963 -4.178 1.00 0.00 H new ATOM 504 N PHE A 31 -9.401 -4.503 -5.112 1.00 0.00 N ATOM 505 CA PHE A 31 -8.259 -3.640 -4.859 1.00 0.00 C ATOM 506 C PHE A 31 -7.146 -3.841 -5.882 1.00 0.00 C ATOM 507 O PHE A 31 -7.185 -4.776 -6.683 1.00 0.00 O ATOM 508 CB PHE A 31 -7.728 -3.882 -3.469 1.00 0.00 C ATOM 509 CG PHE A 31 -7.180 -5.255 -3.304 1.00 0.00 C ATOM 510 CD1 PHE A 31 -8.017 -6.294 -2.957 1.00 0.00 C ATOM 511 CD2 PHE A 31 -5.843 -5.510 -3.521 1.00 0.00 C ATOM 512 CE1 PHE A 31 -7.529 -7.574 -2.824 1.00 0.00 C ATOM 513 CE2 PHE A 31 -5.344 -6.787 -3.394 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.189 -7.825 -3.043 1.00 0.00 C ATOM 0 H PHE A 31 -9.183 -5.370 -5.602 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.604 -2.610 -4.949 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -6.948 -3.153 -3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.527 -3.723 -2.745 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -9.066 -6.102 -2.788 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -5.181 -4.701 -3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.193 -8.380 -2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.295 -6.978 -3.568 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.802 -8.828 -2.941 1.00 0.00 H new ATOM 524 N GLU A 32 -6.149 -2.958 -5.842 1.00 0.00 N ATOM 525 CA GLU A 32 -5.018 -3.040 -6.762 1.00 0.00 C ATOM 526 C GLU A 32 -3.717 -2.673 -6.060 1.00 0.00 C ATOM 527 O GLU A 32 -3.685 -1.772 -5.222 1.00 0.00 O ATOM 528 CB GLU A 32 -5.233 -2.117 -7.962 1.00 0.00 C ATOM 529 CG GLU A 32 -4.121 -2.194 -8.996 1.00 0.00 C ATOM 530 CD GLU A 32 -4.628 -1.999 -10.411 1.00 0.00 C ATOM 531 OE1 GLU A 32 -5.811 -2.308 -10.666 1.00 0.00 O ATOM 532 OE2 GLU A 32 -3.841 -1.539 -11.265 1.00 0.00 O ATOM 0 H GLU A 32 -6.102 -2.180 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.948 -4.070 -7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.180 -2.370 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.319 -1.089 -7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.371 -1.435 -8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.626 -3.162 -8.921 1.00 0.00 H new ATOM 539 N PHE A 33 -2.645 -3.377 -6.407 1.00 0.00 N ATOM 540 CA PHE A 33 -1.346 -3.132 -5.815 1.00 0.00 C ATOM 541 C PHE A 33 -0.564 -2.092 -6.610 1.00 0.00 C ATOM 542 O PHE A 33 -0.830 -1.866 -7.790 1.00 0.00 O ATOM 543 CB PHE A 33 -0.555 -4.435 -5.752 1.00 0.00 C ATOM 544 CG PHE A 33 0.635 -4.349 -4.855 1.00 0.00 C ATOM 545 CD1 PHE A 33 0.487 -4.478 -3.490 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.893 -4.125 -5.377 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.581 -4.388 -2.651 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.994 -4.030 -4.547 1.00 0.00 C ATOM 549 CZ PHE A 33 2.836 -4.162 -3.180 1.00 0.00 C ATOM 0 H PHE A 33 -2.656 -4.125 -7.100 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.498 -2.745 -4.807 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.209 -5.235 -5.404 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.228 -4.705 -6.756 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.494 -4.651 -3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.018 -4.023 -6.445 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.455 -4.494 -1.584 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.974 -3.853 -4.965 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.693 -4.088 -2.527 1.00 0.00 H new ATOM 559 N ILE A 34 0.411 -1.472 -5.953 1.00 0.00 N ATOM 560 CA ILE A 34 1.255 -0.464 -6.585 1.00 0.00 C ATOM 561 C ILE A 34 2.657 -0.515 -6.001 1.00 0.00 C ATOM 562 O ILE A 34 2.851 -0.350 -4.796 1.00 0.00 O ATOM 563 CB ILE A 34 0.691 0.960 -6.425 1.00 0.00 C ATOM 564 CG1 ILE A 34 -0.826 0.952 -6.602 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.341 1.901 -7.428 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.492 2.247 -6.198 1.00 0.00 C ATOM 0 H ILE A 34 0.637 -1.652 -4.975 1.00 0.00 H new ATOM 0 HA ILE A 34 1.281 -0.695 -7.650 1.00 0.00 H new ATOM 0 HB ILE A 34 0.919 1.316 -5.420 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.060 0.744 -7.646 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.247 0.138 -6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.933 2.904 -7.303 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.418 1.924 -7.260 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.139 1.550 -8.440 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.568 2.166 -6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.290 2.447 -5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.099 3.063 -6.805 1.00 0.00 H new ATOM 578 N ASN A 35 3.624 -0.766 -6.864 1.00 0.00 N ATOM 579 CA ASN A 35 5.016 -0.864 -6.447 1.00 0.00 C ATOM 580 C ASN A 35 5.779 0.424 -6.727 1.00 0.00 C ATOM 581 O ASN A 35 5.781 0.929 -7.850 1.00 0.00 O ATOM 582 CB ASN A 35 5.701 -2.038 -7.149 1.00 0.00 C ATOM 583 CG ASN A 35 5.727 -1.880 -8.656 1.00 0.00 C ATOM 584 OD1 ASN A 35 5.053 -1.013 -9.214 1.00 0.00 O ATOM 585 ND2 ASN A 35 6.510 -2.718 -9.325 1.00 0.00 N ATOM 0 H ASN A 35 3.473 -0.907 -7.863 1.00 0.00 H new ATOM 0 HA ASN A 35 5.024 -1.033 -5.370 1.00 0.00 H new ATOM 0 HB2 ASN A 35 6.722 -2.132 -6.779 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.183 -2.962 -6.893 1.00 0.00 H new ATOM 0 HD21 ASN A 35 6.570 -2.658 -10.341 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.051 -3.421 -8.822 1.00 0.00 H new ATOM 592 N ILE A 36 6.433 0.941 -5.695 1.00 0.00 N ATOM 593 CA ILE A 36 7.214 2.163 -5.816 1.00 0.00 C ATOM 594 C ILE A 36 8.590 1.883 -6.417 1.00 0.00 C ATOM 595 O ILE A 36 9.335 2.807 -6.742 1.00 0.00 O ATOM 596 CB ILE A 36 7.397 2.844 -4.447 1.00 0.00 C ATOM 597 CG1 ILE A 36 8.062 1.882 -3.461 1.00 0.00 C ATOM 598 CG2 ILE A 36 6.056 3.321 -3.909 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.625 2.564 -2.233 1.00 0.00 C ATOM 0 H ILE A 36 6.437 0.530 -4.761 1.00 0.00 H new ATOM 0 HA ILE A 36 6.661 2.828 -6.479 1.00 0.00 H new ATOM 0 HB ILE A 36 8.045 3.712 -4.572 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.333 1.134 -3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 36 8.865 1.350 -3.971 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.202 3.800 -2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.618 4.036 -4.605 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.386 2.469 -3.795 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.081 1.820 -1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.378 3.292 -2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.822 3.072 -1.699 1.00 0.00 H new ATOM 611 N MET A 37 8.925 0.601 -6.562 1.00 0.00 N ATOM 612 CA MET A 37 10.212 0.211 -7.121 1.00 0.00 C ATOM 613 C MET A 37 10.034 -0.744 -8.301 1.00 0.00 C ATOM 614 O MET A 37 9.906 -1.954 -8.116 1.00 0.00 O ATOM 615 CB MET A 37 11.084 -0.439 -6.043 1.00 0.00 C ATOM 616 CG MET A 37 12.388 -1.015 -6.575 1.00 0.00 C ATOM 617 SD MET A 37 13.713 -0.990 -5.352 1.00 0.00 S ATOM 618 CE MET A 37 12.850 -1.592 -3.904 1.00 0.00 C ATOM 0 H MET A 37 8.323 -0.180 -6.300 1.00 0.00 H new ATOM 0 HA MET A 37 10.708 1.111 -7.485 1.00 0.00 H new ATOM 0 HB2 MET A 37 11.311 0.302 -5.276 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.516 -1.234 -5.560 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.220 -2.041 -6.901 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.699 -0.448 -7.453 1.00 0.00 H new ATOM 0 HE1 MET A 37 13.478 -2.313 -3.380 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.625 -0.757 -3.241 1.00 0.00 H new ATOM 0 HE3 MET A 37 11.921 -2.074 -4.208 1.00 0.00 H new ATOM 628 N PRO A 38 10.029 -0.210 -9.536 1.00 0.00 N ATOM 629 CA PRO A 38 9.870 -1.017 -10.747 1.00 0.00 C ATOM 630 C PRO A 38 11.171 -1.695 -11.175 1.00 0.00 C ATOM 631 O PRO A 38 11.213 -2.391 -12.189 1.00 0.00 O ATOM 632 CB PRO A 38 9.442 0.014 -11.787 1.00 0.00 C ATOM 633 CG PRO A 38 10.102 1.278 -11.354 1.00 0.00 C ATOM 634 CD PRO A 38 10.176 1.226 -9.848 1.00 0.00 C ATOM 0 HA PRO A 38 9.162 -1.834 -10.607 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.760 -0.277 -12.788 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.358 0.122 -11.816 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.098 1.365 -11.789 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.533 2.147 -11.685 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.124 1.620 -9.480 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.385 1.818 -9.388 1.00 0.00 H new ATOM 642 N GLU A 39 12.229 -1.488 -10.397 1.00 0.00 N ATOM 643 CA GLU A 39 13.527 -2.079 -10.698 1.00 0.00 C ATOM 644 C GLU A 39 14.202 -2.568 -9.423 1.00 0.00 C ATOM 645 O GLU A 39 14.206 -1.875 -8.406 1.00 0.00 O ATOM 646 CB GLU A 39 14.421 -1.058 -11.406 1.00 0.00 C ATOM 647 CG GLU A 39 14.206 -0.999 -12.909 1.00 0.00 C ATOM 648 CD GLU A 39 13.339 0.172 -13.329 1.00 0.00 C ATOM 649 OE1 GLU A 39 13.818 1.324 -13.246 1.00 0.00 O ATOM 650 OE2 GLU A 39 12.183 -0.061 -13.740 1.00 0.00 O ATOM 0 H GLU A 39 12.212 -0.915 -9.553 1.00 0.00 H new ATOM 0 HA GLU A 39 13.372 -2.933 -11.358 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.237 -0.071 -10.982 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.465 -1.301 -11.206 1.00 0.00 H new ATOM 0 HG2 GLU A 39 15.172 -0.928 -13.408 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.743 -1.927 -13.243 1.00 0.00 H new ATOM 657 N LYS A 40 14.771 -3.769 -9.479 1.00 0.00 N ATOM 658 CA LYS A 40 15.443 -4.351 -8.320 1.00 0.00 C ATOM 659 C LYS A 40 16.643 -3.528 -7.879 1.00 0.00 C ATOM 660 O LYS A 40 17.218 -3.759 -6.815 1.00 0.00 O ATOM 661 CB LYS A 40 15.863 -5.793 -8.607 1.00 0.00 C ATOM 662 CG LYS A 40 14.689 -6.742 -8.777 1.00 0.00 C ATOM 663 CD LYS A 40 15.137 -8.194 -8.745 1.00 0.00 C ATOM 664 CE LYS A 40 15.302 -8.695 -7.320 1.00 0.00 C ATOM 665 NZ LYS A 40 16.383 -9.712 -7.212 1.00 0.00 N ATOM 0 H LYS A 40 14.781 -4.357 -10.312 1.00 0.00 H new ATOM 0 HA LYS A 40 14.726 -4.347 -7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.471 -5.813 -9.512 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.493 -6.149 -7.792 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.961 -6.567 -7.985 1.00 0.00 H new ATOM 0 HG3 LYS A 40 14.187 -6.536 -9.722 1.00 0.00 H new ATOM 0 HD2 LYS A 40 14.407 -8.813 -9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.082 -8.296 -9.279 1.00 0.00 H new ATOM 0 HE2 LYS A 40 15.527 -7.855 -6.663 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.362 -9.126 -6.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.464 -10.029 -6.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.156 -10.525 -7.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 17.285 -9.294 -7.517 1.00 0.00 H new ATOM 679 N GLY A 41 16.994 -2.564 -8.695 1.00 0.00 N ATOM 680 CA GLY A 41 18.112 -1.691 -8.392 1.00 0.00 C ATOM 681 C GLY A 41 17.707 -0.548 -7.485 1.00 0.00 C ATOM 682 O GLY A 41 18.176 -0.446 -6.351 1.00 0.00 O ATOM 0 H GLY A 41 16.523 -2.360 -9.577 1.00 0.00 H new ATOM 0 HA2 GLY A 41 18.905 -2.268 -7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.522 -1.291 -9.319 1.00 0.00 H new ATOM 686 N VAL A 42 16.821 0.308 -7.984 1.00 0.00 N ATOM 687 CA VAL A 42 16.342 1.448 -7.216 1.00 0.00 C ATOM 688 C VAL A 42 14.891 1.766 -7.558 1.00 0.00 C ATOM 689 O VAL A 42 14.435 1.500 -8.669 1.00 0.00 O ATOM 690 CB VAL A 42 17.202 2.698 -7.470 1.00 0.00 C ATOM 691 CG1 VAL A 42 16.804 3.823 -6.526 1.00 0.00 C ATOM 692 CG2 VAL A 42 18.680 2.369 -7.326 1.00 0.00 C ATOM 0 H VAL A 42 16.420 0.232 -8.919 1.00 0.00 H new ATOM 0 HA VAL A 42 16.415 1.175 -6.163 1.00 0.00 H new ATOM 0 HB VAL A 42 17.027 3.034 -8.492 1.00 0.00 H new ATOM 0 HG11 VAL A 42 17.424 4.698 -6.721 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.756 4.078 -6.685 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.947 3.500 -5.495 1.00 0.00 H new ATOM 0 HG21 VAL A 42 19.272 3.266 -7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.875 2.005 -6.317 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.954 1.600 -8.048 1.00 0.00 H new ATOM 702 N PHE A 43 14.169 2.340 -6.601 1.00 0.00 N ATOM 703 CA PHE A 43 12.768 2.692 -6.820 1.00 0.00 C ATOM 704 C PHE A 43 12.638 3.822 -7.835 1.00 0.00 C ATOM 705 O PHE A 43 13.621 4.478 -8.178 1.00 0.00 O ATOM 706 CB PHE A 43 12.065 3.084 -5.513 1.00 0.00 C ATOM 707 CG PHE A 43 12.982 3.610 -4.444 1.00 0.00 C ATOM 708 CD1 PHE A 43 13.272 4.961 -4.363 1.00 0.00 C ATOM 709 CD2 PHE A 43 13.547 2.748 -3.523 1.00 0.00 C ATOM 710 CE1 PHE A 43 14.113 5.444 -3.379 1.00 0.00 C ATOM 711 CE2 PHE A 43 14.388 3.223 -2.535 1.00 0.00 C ATOM 712 CZ PHE A 43 14.671 4.573 -2.463 1.00 0.00 C ATOM 0 H PHE A 43 14.526 2.570 -5.674 1.00 0.00 H new ATOM 0 HA PHE A 43 12.278 1.802 -7.215 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.313 3.841 -5.733 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.537 2.213 -5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.836 5.645 -5.076 1.00 0.00 H new ATOM 0 HD2 PHE A 43 13.329 1.692 -3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.334 6.500 -3.326 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.823 2.540 -1.820 1.00 0.00 H new ATOM 0 HZ PHE A 43 15.328 4.947 -1.692 1.00 0.00 H new ATOM 722 N ASP A 44 11.416 4.045 -8.312 1.00 0.00 N ATOM 723 CA ASP A 44 11.154 5.097 -9.292 1.00 0.00 C ATOM 724 C ASP A 44 10.570 6.337 -8.621 1.00 0.00 C ATOM 725 O ASP A 44 9.460 6.304 -8.092 1.00 0.00 O ATOM 726 CB ASP A 44 10.197 4.590 -10.375 1.00 0.00 C ATOM 727 CG ASP A 44 10.891 4.391 -11.709 1.00 0.00 C ATOM 728 OD1 ASP A 44 11.757 3.495 -11.798 1.00 0.00 O ATOM 729 OD2 ASP A 44 10.570 5.131 -12.662 1.00 0.00 O ATOM 0 H ASP A 44 10.591 3.512 -8.036 1.00 0.00 H new ATOM 0 HA ASP A 44 12.103 5.370 -9.754 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.755 3.647 -10.054 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.379 5.300 -10.496 1.00 0.00 H new ATOM 734 N ASP A 45 11.321 7.434 -8.657 1.00 0.00 N ATOM 735 CA ASP A 45 10.878 8.689 -8.056 1.00 0.00 C ATOM 736 C ASP A 45 9.553 9.159 -8.655 1.00 0.00 C ATOM 737 O ASP A 45 8.861 9.989 -8.068 1.00 0.00 O ATOM 738 CB ASP A 45 11.943 9.770 -8.249 1.00 0.00 C ATOM 739 CG ASP A 45 11.910 10.814 -7.151 1.00 0.00 C ATOM 740 OD1 ASP A 45 11.101 11.759 -7.256 1.00 0.00 O ATOM 741 OD2 ASP A 45 12.690 10.683 -6.185 1.00 0.00 O ATOM 0 H ASP A 45 12.240 7.480 -9.096 1.00 0.00 H new ATOM 0 HA ASP A 45 10.726 8.512 -6.991 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.929 9.305 -8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.794 10.256 -9.213 1.00 0.00 H new ATOM 746 N GLU A 46 9.202 8.626 -9.824 1.00 0.00 N ATOM 747 CA GLU A 46 7.959 8.999 -10.490 1.00 0.00 C ATOM 748 C GLU A 46 6.762 8.724 -9.589 1.00 0.00 C ATOM 749 O GLU A 46 5.962 9.619 -9.310 1.00 0.00 O ATOM 750 CB GLU A 46 7.811 8.234 -11.805 1.00 0.00 C ATOM 751 CG GLU A 46 9.002 8.388 -12.737 1.00 0.00 C ATOM 752 CD GLU A 46 8.646 8.117 -14.186 1.00 0.00 C ATOM 753 OE1 GLU A 46 7.445 8.174 -14.522 1.00 0.00 O ATOM 754 OE2 GLU A 46 9.569 7.849 -14.984 1.00 0.00 O ATOM 0 H GLU A 46 9.760 7.936 -10.327 1.00 0.00 H new ATOM 0 HA GLU A 46 7.994 10.067 -10.704 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.666 7.176 -11.586 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.913 8.579 -12.317 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.401 9.398 -12.647 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.792 7.705 -12.427 1.00 0.00 H new ATOM 761 N LYS A 47 6.651 7.485 -9.126 1.00 0.00 N ATOM 762 CA LYS A 47 5.556 7.097 -8.245 1.00 0.00 C ATOM 763 C LYS A 47 5.734 7.734 -6.872 1.00 0.00 C ATOM 764 O LYS A 47 4.768 8.154 -6.237 1.00 0.00 O ATOM 765 CB LYS A 47 5.484 5.575 -8.112 1.00 0.00 C ATOM 766 CG LYS A 47 5.535 4.843 -9.443 1.00 0.00 C ATOM 767 CD LYS A 47 4.318 5.155 -10.298 1.00 0.00 C ATOM 768 CE LYS A 47 3.163 4.216 -9.988 1.00 0.00 C ATOM 769 NZ LYS A 47 3.119 3.059 -10.926 1.00 0.00 N ATOM 0 H LYS A 47 7.304 6.733 -9.345 1.00 0.00 H new ATOM 0 HA LYS A 47 4.622 7.451 -8.682 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.310 5.234 -7.488 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.562 5.307 -7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.440 5.126 -9.980 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.591 3.769 -9.267 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.006 6.185 -10.127 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.582 5.073 -11.352 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.257 3.851 -8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.223 4.765 -10.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.318 2.443 -10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.004 3.406 -11.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.005 2.519 -10.853 1.00 0.00 H new ATOM 783 N ILE A 48 6.985 7.812 -6.430 1.00 0.00 N ATOM 784 CA ILE A 48 7.311 8.406 -5.139 1.00 0.00 C ATOM 785 C ILE A 48 6.762 9.824 -5.039 1.00 0.00 C ATOM 786 O ILE A 48 6.153 10.197 -4.036 1.00 0.00 O ATOM 787 CB ILE A 48 8.838 8.446 -4.917 1.00 0.00 C ATOM 788 CG1 ILE A 48 9.430 7.037 -5.008 1.00 0.00 C ATOM 789 CG2 ILE A 48 9.170 9.085 -3.578 1.00 0.00 C ATOM 790 CD1 ILE A 48 8.983 6.114 -3.898 1.00 0.00 C ATOM 0 H ILE A 48 7.793 7.469 -6.950 1.00 0.00 H new ATOM 0 HA ILE A 48 6.851 7.783 -4.372 1.00 0.00 H new ATOM 0 HB ILE A 48 9.284 9.056 -5.703 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.153 6.598 -5.966 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.518 7.108 -4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.251 9.103 -3.442 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.784 10.104 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.713 8.506 -2.775 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.444 5.135 -4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.284 6.529 -2.936 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.898 6.011 -3.925 1.00 0.00 H new ATOM 802 N ALA A 49 6.986 10.612 -6.085 1.00 0.00 N ATOM 803 CA ALA A 49 6.517 11.989 -6.113 1.00 0.00 C ATOM 804 C ALA A 49 4.999 12.043 -5.999 1.00 0.00 C ATOM 805 O ALA A 49 4.455 12.727 -5.132 1.00 0.00 O ATOM 806 CB ALA A 49 6.981 12.681 -7.386 1.00 0.00 C ATOM 0 H ALA A 49 7.489 10.320 -6.923 1.00 0.00 H new ATOM 0 HA ALA A 49 6.942 12.514 -5.258 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.622 13.710 -7.392 1.00 0.00 H new ATOM 0 HB2 ALA A 49 8.070 12.676 -7.426 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.583 12.153 -8.253 1.00 0.00 H new ATOM 812 N GLU A 50 4.320 11.308 -6.875 1.00 0.00 N ATOM 813 CA GLU A 50 2.862 11.263 -6.866 1.00 0.00 C ATOM 814 C GLU A 50 2.355 10.797 -5.507 1.00 0.00 C ATOM 815 O GLU A 50 1.376 11.327 -4.982 1.00 0.00 O ATOM 816 CB GLU A 50 2.353 10.329 -7.968 1.00 0.00 C ATOM 817 CG GLU A 50 0.863 10.028 -7.877 1.00 0.00 C ATOM 818 CD GLU A 50 0.129 10.316 -9.172 1.00 0.00 C ATOM 819 OE1 GLU A 50 0.692 10.035 -10.250 1.00 0.00 O ATOM 820 OE2 GLU A 50 -1.012 10.822 -9.108 1.00 0.00 O ATOM 0 H GLU A 50 4.756 10.736 -7.599 1.00 0.00 H new ATOM 0 HA GLU A 50 2.482 12.267 -7.055 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.565 10.777 -8.939 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.907 9.392 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.724 8.980 -7.610 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.424 10.622 -7.075 1.00 0.00 H new ATOM 827 N LEU A 51 3.035 9.807 -4.937 1.00 0.00 N ATOM 828 CA LEU A 51 2.659 9.269 -3.637 1.00 0.00 C ATOM 829 C LEU A 51 2.602 10.377 -2.593 1.00 0.00 C ATOM 830 O LEU A 51 1.628 10.497 -1.851 1.00 0.00 O ATOM 831 CB LEU A 51 3.654 8.190 -3.202 1.00 0.00 C ATOM 832 CG LEU A 51 3.393 7.576 -1.825 1.00 0.00 C ATOM 833 CD1 LEU A 51 1.910 7.296 -1.635 1.00 0.00 C ATOM 834 CD2 LEU A 51 4.203 6.300 -1.650 1.00 0.00 C ATOM 0 H LEU A 51 3.851 9.361 -5.357 1.00 0.00 H new ATOM 0 HA LEU A 51 1.668 8.823 -3.724 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.647 7.392 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.656 8.620 -3.206 1.00 0.00 H new ATOM 0 HG LEU A 51 3.706 8.292 -1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.745 6.860 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.350 8.228 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.570 6.600 -2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.006 5.876 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.919 5.581 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.265 6.528 -1.741 1.00 0.00 H new ATOM 846 N LEU A 52 3.653 11.192 -2.549 1.00 0.00 N ATOM 847 CA LEU A 52 3.726 12.296 -1.608 1.00 0.00 C ATOM 848 C LEU A 52 2.504 13.195 -1.724 1.00 0.00 C ATOM 849 O LEU A 52 1.854 13.516 -0.728 1.00 0.00 O ATOM 850 CB LEU A 52 4.984 13.078 -1.861 1.00 0.00 C ATOM 851 CG LEU A 52 6.234 12.308 -1.492 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.435 13.100 -1.887 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.256 11.994 -0.005 1.00 0.00 C ATOM 0 H LEU A 52 4.466 11.104 -3.158 1.00 0.00 H new ATOM 0 HA LEU A 52 3.744 11.897 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.030 13.354 -2.914 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.952 14.006 -1.290 1.00 0.00 H new ATOM 0 HG LEU A 52 6.241 11.359 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.337 12.549 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.418 13.274 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.428 14.056 -1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.163 11.440 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.236 12.924 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.384 11.392 0.253 1.00 0.00 H new ATOM 865 N THR A 53 2.187 13.582 -2.954 1.00 0.00 N ATOM 866 CA THR A 53 1.032 14.430 -3.218 1.00 0.00 C ATOM 867 C THR A 53 -0.248 13.723 -2.793 1.00 0.00 C ATOM 868 O THR A 53 -1.199 14.355 -2.331 1.00 0.00 O ATOM 869 CB THR A 53 0.967 14.790 -4.703 1.00 0.00 C ATOM 870 OG1 THR A 53 2.153 15.446 -5.113 1.00 0.00 O ATOM 871 CG2 THR A 53 -0.199 15.690 -5.051 1.00 0.00 C ATOM 0 H THR A 53 2.716 13.321 -3.786 1.00 0.00 H new ATOM 0 HA THR A 53 1.134 15.348 -2.640 1.00 0.00 H new ATOM 0 HB THR A 53 0.840 13.841 -5.224 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.092 15.666 -6.066 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.186 15.906 -6.119 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.133 15.191 -4.794 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.119 16.622 -4.491 1.00 0.00 H new ATOM 879 N LYS A 54 -0.261 12.402 -2.947 1.00 0.00 N ATOM 880 CA LYS A 54 -1.418 11.598 -2.573 1.00 0.00 C ATOM 881 C LYS A 54 -1.613 11.608 -1.061 1.00 0.00 C ATOM 882 O LYS A 54 -2.734 11.493 -0.567 1.00 0.00 O ATOM 883 CB LYS A 54 -1.249 10.159 -3.070 1.00 0.00 C ATOM 884 CG LYS A 54 -2.514 9.323 -2.951 1.00 0.00 C ATOM 885 CD LYS A 54 -3.525 9.687 -4.025 1.00 0.00 C ATOM 886 CE LYS A 54 -4.405 8.501 -4.388 1.00 0.00 C ATOM 887 NZ LYS A 54 -5.172 8.741 -5.640 1.00 0.00 N ATOM 0 H LYS A 54 0.518 11.866 -3.329 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.302 12.032 -3.041 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.933 10.178 -4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.451 9.679 -2.504 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.261 8.266 -3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.958 9.471 -1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.148 10.510 -3.675 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.002 10.039 -4.914 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.785 7.612 -4.507 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.098 8.300 -3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.759 7.909 -5.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.783 9.574 -5.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.511 8.908 -6.425 1.00 0.00 H new ATOM 901 N LEU A 55 -0.510 11.750 -0.331 1.00 0.00 N ATOM 902 CA LEU A 55 -0.551 11.780 1.126 1.00 0.00 C ATOM 903 C LEU A 55 -1.157 13.086 1.632 1.00 0.00 C ATOM 904 O LEU A 55 -1.714 13.139 2.728 1.00 0.00 O ATOM 905 CB LEU A 55 0.857 11.607 1.698 1.00 0.00 C ATOM 906 CG LEU A 55 1.524 10.251 1.432 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.270 9.782 2.668 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.501 9.205 1.009 1.00 0.00 C ATOM 0 H LEU A 55 0.425 11.846 -0.727 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.181 10.956 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.494 12.391 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.813 11.764 2.776 1.00 0.00 H new ATOM 0 HG LEU A 55 2.233 10.380 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.739 8.819 2.466 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.037 10.511 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.571 9.679 3.498 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.005 8.256 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.238 9.078 1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.003 9.531 0.096 1.00 0.00 H new ATOM 920 N GLY A 56 -1.038 14.139 0.829 1.00 0.00 N ATOM 921 CA GLY A 56 -1.574 15.431 1.216 1.00 0.00 C ATOM 922 C GLY A 56 -0.596 16.236 2.050 1.00 0.00 C ATOM 923 O GLY A 56 -0.999 17.000 2.928 1.00 0.00 O ATOM 0 H GLY A 56 -0.580 14.120 -0.082 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.835 15.996 0.321 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.495 15.285 1.781 1.00 0.00 H new ATOM 927 N ARG A 57 0.693 16.061 1.777 1.00 0.00 N ATOM 928 CA ARG A 57 1.736 16.775 2.507 1.00 0.00 C ATOM 929 C ARG A 57 2.958 17.004 1.622 1.00 0.00 C ATOM 930 O ARG A 57 2.906 16.795 0.410 1.00 0.00 O ATOM 931 CB ARG A 57 2.134 15.994 3.761 1.00 0.00 C ATOM 932 CG ARG A 57 0.950 15.574 4.617 1.00 0.00 C ATOM 933 CD ARG A 57 1.402 14.919 5.912 1.00 0.00 C ATOM 934 NE ARG A 57 0.362 14.071 6.489 1.00 0.00 N ATOM 935 CZ ARG A 57 -0.671 14.537 7.186 1.00 0.00 C ATOM 936 NH1 ARG A 57 -0.806 15.841 7.396 1.00 0.00 N ATOM 937 NH2 ARG A 57 -1.573 13.696 7.676 1.00 0.00 N ATOM 0 H ARG A 57 1.041 15.430 1.055 1.00 0.00 H new ATOM 0 HA ARG A 57 1.340 17.746 2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.691 15.105 3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.807 16.606 4.362 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.337 16.446 4.844 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.323 14.880 4.057 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.294 14.321 5.724 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.681 15.690 6.630 1.00 0.00 H new ATOM 0 HE ARG A 57 0.432 13.063 6.349 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.115 16.492 7.022 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -1.600 16.192 7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -1.474 12.693 7.518 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.365 14.052 8.210 1.00 0.00 H new ATOM 951 N ASP A 58 4.056 17.437 2.234 1.00 0.00 N ATOM 952 CA ASP A 58 5.290 17.695 1.499 1.00 0.00 C ATOM 953 C ASP A 58 6.363 16.672 1.855 1.00 0.00 C ATOM 954 O ASP A 58 6.980 16.073 0.974 1.00 0.00 O ATOM 955 CB ASP A 58 5.799 19.108 1.797 1.00 0.00 C ATOM 956 CG ASP A 58 4.821 20.179 1.358 1.00 0.00 C ATOM 957 OD1 ASP A 58 3.697 20.215 1.900 1.00 0.00 O ATOM 958 OD2 ASP A 58 5.180 20.982 0.471 1.00 0.00 O ATOM 0 H ASP A 58 4.117 17.617 3.236 1.00 0.00 H new ATOM 0 HA ASP A 58 5.072 17.609 0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.985 19.206 2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.753 19.262 1.292 1.00 0.00 H new ATOM 963 N THR A 59 6.582 16.476 3.151 1.00 0.00 N ATOM 964 CA THR A 59 7.582 15.525 3.622 1.00 0.00 C ATOM 965 C THR A 59 6.922 14.240 4.110 1.00 0.00 C ATOM 966 O THR A 59 5.712 14.197 4.333 1.00 0.00 O ATOM 967 CB THR A 59 8.414 16.145 4.746 1.00 0.00 C ATOM 968 OG1 THR A 59 9.440 15.258 5.160 1.00 0.00 O ATOM 969 CG2 THR A 59 7.596 16.506 5.967 1.00 0.00 C ATOM 0 H THR A 59 6.080 16.963 3.894 1.00 0.00 H new ATOM 0 HA THR A 59 8.238 15.280 2.787 1.00 0.00 H new ATOM 0 HB THR A 59 8.831 17.060 4.326 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.962 15.674 5.878 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.247 16.941 6.726 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.828 17.229 5.690 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.123 15.609 6.366 1.00 0.00 H new ATOM 977 N GLN A 60 7.727 13.195 4.280 1.00 0.00 N ATOM 978 CA GLN A 60 7.223 11.910 4.745 1.00 0.00 C ATOM 979 C GLN A 60 7.392 11.785 6.251 1.00 0.00 C ATOM 980 O GLN A 60 8.470 11.455 6.745 1.00 0.00 O ATOM 981 CB GLN A 60 7.954 10.767 4.044 1.00 0.00 C ATOM 982 CG GLN A 60 8.106 10.969 2.546 1.00 0.00 C ATOM 983 CD GLN A 60 9.490 11.456 2.160 1.00 0.00 C ATOM 984 OE1 GLN A 60 9.788 12.647 2.248 1.00 0.00 O ATOM 985 NE2 GLN A 60 10.342 10.534 1.730 1.00 0.00 N ATOM 0 H GLN A 60 8.731 13.215 4.102 1.00 0.00 H new ATOM 0 HA GLN A 60 6.161 11.851 4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.943 10.652 4.489 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.414 9.837 4.224 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.900 10.029 2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.363 11.689 2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.051 9.558 1.673 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.287 10.801 1.456 1.00 0.00 H new ATOM 994 N ILE A 61 6.314 12.049 6.970 1.00 0.00 N ATOM 995 CA ILE A 61 6.320 11.974 8.425 1.00 0.00 C ATOM 996 C ILE A 61 6.177 10.535 8.905 1.00 0.00 C ATOM 997 O ILE A 61 5.073 10.072 9.194 1.00 0.00 O ATOM 998 CB ILE A 61 5.186 12.821 9.035 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.186 14.225 8.428 1.00 0.00 C ATOM 1000 CG2 ILE A 61 5.334 12.893 10.548 1.00 0.00 C ATOM 1001 CD1 ILE A 61 3.942 15.023 8.751 1.00 0.00 C ATOM 0 H ILE A 61 5.416 12.319 6.568 1.00 0.00 H new ATOM 0 HA ILE A 61 7.280 12.369 8.756 1.00 0.00 H new ATOM 0 HB ILE A 61 4.233 12.345 8.804 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.060 14.768 8.788 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.285 14.144 7.346 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.526 13.494 10.964 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.290 11.887 10.966 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.292 13.349 10.799 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.011 16.008 8.288 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.065 14.502 8.366 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.852 15.135 9.831 1.00 0.00 H new ATOM 1013 N GLY A 62 7.301 9.835 8.989 1.00 0.00 N ATOM 1014 CA GLY A 62 7.283 8.456 9.437 1.00 0.00 C ATOM 1015 C GLY A 62 6.589 7.537 8.453 1.00 0.00 C ATOM 1016 O GLY A 62 6.044 6.502 8.838 1.00 0.00 O ATOM 0 H GLY A 62 8.225 10.198 8.755 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.306 8.113 9.590 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.780 8.397 10.402 1.00 0.00 H new ATOM 1020 N LEU A 63 6.604 7.917 7.179 1.00 0.00 N ATOM 1021 CA LEU A 63 5.973 7.117 6.136 1.00 0.00 C ATOM 1022 C LEU A 63 6.512 5.692 6.133 1.00 0.00 C ATOM 1023 O LEU A 63 7.662 5.450 6.502 1.00 0.00 O ATOM 1024 CB LEU A 63 6.187 7.753 4.771 1.00 0.00 C ATOM 1025 CG LEU A 63 5.449 7.056 3.632 1.00 0.00 C ATOM 1026 CD1 LEU A 63 4.904 8.072 2.650 1.00 0.00 C ATOM 1027 CD2 LEU A 63 6.370 6.067 2.940 1.00 0.00 C ATOM 0 H LEU A 63 7.046 8.773 6.845 1.00 0.00 H new ATOM 0 HA LEU A 63 4.904 7.081 6.348 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.866 8.794 4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.254 7.757 4.548 1.00 0.00 H new ATOM 0 HG LEU A 63 4.604 6.505 4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.381 7.556 1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.211 8.739 3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.727 8.653 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.833 5.576 2.129 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.233 6.595 2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.706 5.319 3.658 1.00 0.00 H new ATOM 1039 N THR A 64 5.674 4.751 5.712 1.00 0.00 N ATOM 1040 CA THR A 64 6.068 3.350 5.665 1.00 0.00 C ATOM 1041 C THR A 64 5.369 2.613 4.527 1.00 0.00 C ATOM 1042 O THR A 64 4.386 3.098 3.966 1.00 0.00 O ATOM 1043 CB THR A 64 5.747 2.668 6.996 1.00 0.00 C ATOM 1044 OG1 THR A 64 4.357 2.710 7.260 1.00 0.00 O ATOM 1045 CG2 THR A 64 6.458 3.294 8.176 1.00 0.00 C ATOM 0 H THR A 64 4.720 4.933 5.399 1.00 0.00 H new ATOM 0 HA THR A 64 7.143 3.312 5.486 1.00 0.00 H new ATOM 0 HB THR A 64 6.096 1.641 6.885 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.173 2.267 8.115 1.00 0.00 H new ATOM 0 HG21 THR A 64 6.186 2.763 9.088 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.536 3.231 8.027 1.00 0.00 H new ATOM 0 HG23 THR A 64 6.165 4.340 8.264 1.00 0.00 H new ATOM 1053 N MET A 65 5.882 1.433 4.200 1.00 0.00 N ATOM 1054 CA MET A 65 5.311 0.619 3.137 1.00 0.00 C ATOM 1055 C MET A 65 4.836 -0.724 3.686 1.00 0.00 C ATOM 1056 O MET A 65 5.432 -1.266 4.616 1.00 0.00 O ATOM 1057 CB MET A 65 6.341 0.397 2.027 1.00 0.00 C ATOM 1058 CG MET A 65 6.784 1.680 1.342 1.00 0.00 C ATOM 1059 SD MET A 65 8.128 2.505 2.216 1.00 0.00 S ATOM 1060 CE MET A 65 9.049 3.197 0.844 1.00 0.00 C ATOM 0 H MET A 65 6.694 1.019 4.658 1.00 0.00 H new ATOM 0 HA MET A 65 4.453 1.148 2.722 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.215 -0.101 2.448 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.919 -0.276 1.281 1.00 0.00 H new ATOM 0 HG2 MET A 65 7.103 1.453 0.325 1.00 0.00 H new ATOM 0 HG3 MET A 65 5.935 2.359 1.266 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.818 3.869 1.224 1.00 0.00 H new ATOM 0 HE2 MET A 65 9.518 2.392 0.278 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.372 3.751 0.194 1.00 0.00 H new ATOM 1070 N PRO A 66 3.747 -1.280 3.124 1.00 0.00 N ATOM 1071 CA PRO A 66 3.002 -0.681 2.021 1.00 0.00 C ATOM 1072 C PRO A 66 1.966 0.337 2.490 1.00 0.00 C ATOM 1073 O PRO A 66 1.417 0.224 3.587 1.00 0.00 O ATOM 1074 CB PRO A 66 2.306 -1.882 1.361 1.00 0.00 C ATOM 1075 CG PRO A 66 2.647 -3.077 2.200 1.00 0.00 C ATOM 1076 CD PRO A 66 3.153 -2.554 3.514 1.00 0.00 C ATOM 0 HA PRO A 66 3.659 -0.126 1.351 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.227 -1.731 1.318 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.650 -2.016 0.335 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.771 -3.709 2.347 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.404 -3.690 1.710 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.349 -2.425 4.239 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.884 -3.224 3.966 1.00 0.00 H new ATOM 1084 N GLN A 67 1.693 1.321 1.638 1.00 0.00 N ATOM 1085 CA GLN A 67 0.714 2.354 1.946 1.00 0.00 C ATOM 1086 C GLN A 67 -0.527 2.180 1.077 1.00 0.00 C ATOM 1087 O GLN A 67 -0.450 2.249 -0.147 1.00 0.00 O ATOM 1088 CB GLN A 67 1.320 3.740 1.727 1.00 0.00 C ATOM 1089 CG GLN A 67 0.892 4.763 2.765 1.00 0.00 C ATOM 1090 CD GLN A 67 1.654 4.626 4.069 1.00 0.00 C ATOM 1091 OE1 GLN A 67 1.990 3.519 4.490 1.00 0.00 O ATOM 1092 NE2 GLN A 67 1.932 5.752 4.713 1.00 0.00 N ATOM 0 H GLN A 67 2.139 1.423 0.726 1.00 0.00 H new ATOM 0 HA GLN A 67 0.425 2.260 2.993 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.407 3.658 1.737 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.037 4.099 0.737 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.042 5.766 2.365 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -0.175 4.654 2.959 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.634 6.648 4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.444 5.722 5.595 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.666 1.935 1.710 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.908 1.735 0.976 1.00 0.00 C ATOM 1103 C VAL A 68 -3.684 3.040 0.819 1.00 0.00 C ATOM 1104 O VAL A 68 -3.385 4.035 1.479 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.810 0.688 1.665 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.820 0.119 0.681 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.973 -0.427 2.279 1.00 0.00 C ATOM 0 H VAL A 68 -1.756 1.870 2.724 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.628 1.369 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.355 1.185 2.467 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.446 -0.617 1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.446 0.924 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.294 -0.359 -0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.630 -1.153 2.759 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.396 -0.921 1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.294 -0.006 3.021 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.684 3.027 -0.060 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.500 4.211 -0.304 1.00 0.00 C ATOM 1119 C PHE A 69 -6.962 3.832 -0.529 1.00 0.00 C ATOM 1120 O PHE A 69 -7.265 2.827 -1.172 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.970 4.978 -1.514 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.684 5.700 -1.243 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.691 6.934 -0.618 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -2.471 5.141 -1.607 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.510 7.601 -0.361 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -1.286 5.803 -1.355 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.304 7.034 -0.731 1.00 0.00 C ATOM 0 H PHE A 69 -4.947 2.211 -0.613 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.442 4.848 0.578 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.821 4.282 -2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.722 5.698 -1.836 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.631 7.380 -0.328 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.451 4.177 -2.093 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.528 8.564 0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.346 5.358 -1.646 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.378 7.553 -0.532 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.861 4.640 0.026 1.00 0.00 N ATOM 1138 CA ALA A 70 -9.297 4.399 -0.085 1.00 0.00 C ATOM 1139 C ALA A 70 -9.743 4.216 -1.534 1.00 0.00 C ATOM 1140 O ALA A 70 -9.153 4.784 -2.454 1.00 0.00 O ATOM 1141 CB ALA A 70 -10.068 5.540 0.561 1.00 0.00 C ATOM 0 H ALA A 70 -7.618 5.474 0.561 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.513 3.468 0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.138 5.352 0.473 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.797 5.612 1.614 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.822 6.476 0.059 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.807 3.419 -1.751 1.00 0.00 N ATOM 1148 CA PRO A 71 -11.358 3.162 -3.090 1.00 0.00 C ATOM 1149 C PRO A 71 -11.801 4.446 -3.782 1.00 0.00 C ATOM 1150 O PRO A 71 -11.754 4.550 -5.008 1.00 0.00 O ATOM 1151 CB PRO A 71 -12.571 2.264 -2.810 1.00 0.00 C ATOM 1152 CG PRO A 71 -12.292 1.653 -1.485 1.00 0.00 C ATOM 1153 CD PRO A 71 -11.570 2.711 -0.705 1.00 0.00 C ATOM 0 HA PRO A 71 -10.622 2.712 -3.756 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.495 2.842 -2.793 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.686 1.502 -3.581 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.215 1.358 -0.986 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.683 0.755 -1.587 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -12.262 3.376 -0.188 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.915 2.280 0.053 1.00 0.00 H new ATOM 1161 N ASP A 72 -12.233 5.419 -2.988 1.00 0.00 N ATOM 1162 CA ASP A 72 -12.690 6.698 -3.519 1.00 0.00 C ATOM 1163 C ASP A 72 -11.546 7.707 -3.593 1.00 0.00 C ATOM 1164 O ASP A 72 -11.592 8.655 -4.376 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.819 7.257 -2.652 1.00 0.00 C ATOM 1166 CG ASP A 72 -13.387 7.486 -1.216 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -12.550 8.383 -0.984 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -13.888 6.768 -0.325 1.00 0.00 O ATOM 0 H ASP A 72 -12.276 5.346 -1.972 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.061 6.527 -4.530 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.168 8.198 -3.078 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.662 6.567 -2.669 1.00 0.00 H new ATOM 1173 N GLY A 73 -10.520 7.499 -2.771 1.00 0.00 N ATOM 1174 CA GLY A 73 -9.387 8.403 -2.767 1.00 0.00 C ATOM 1175 C GLY A 73 -9.085 8.955 -1.387 1.00 0.00 C ATOM 1176 O GLY A 73 -9.614 9.996 -0.999 1.00 0.00 O ATOM 0 H GLY A 73 -10.455 6.724 -2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.509 7.880 -3.145 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.584 9.230 -3.450 1.00 0.00 H new ATOM 1180 N SER A 74 -8.232 8.255 -0.646 1.00 0.00 N ATOM 1181 CA SER A 74 -7.857 8.683 0.698 1.00 0.00 C ATOM 1182 C SER A 74 -6.719 7.823 1.242 1.00 0.00 C ATOM 1183 O SER A 74 -6.494 6.710 0.774 1.00 0.00 O ATOM 1184 CB SER A 74 -9.062 8.607 1.636 1.00 0.00 C ATOM 1185 OG SER A 74 -8.781 9.224 2.880 1.00 0.00 O ATOM 0 H SER A 74 -7.788 7.390 -0.953 1.00 0.00 H new ATOM 0 HA SER A 74 -7.515 9.717 0.642 1.00 0.00 H new ATOM 0 HB2 SER A 74 -9.920 9.093 1.171 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.336 7.564 1.797 1.00 0.00 H new ATOM 0 HG SER A 74 -9.568 9.163 3.461 1.00 0.00 H new ATOM 1191 N HIS A 75 -6.005 8.350 2.230 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.889 7.632 2.837 1.00 0.00 C ATOM 1193 C HIS A 75 -5.365 6.760 3.993 1.00 0.00 C ATOM 1194 O HIS A 75 -5.755 7.267 5.046 1.00 0.00 O ATOM 1195 CB HIS A 75 -3.833 8.623 3.330 1.00 0.00 C ATOM 1196 CG HIS A 75 -2.553 7.974 3.756 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.678 8.528 4.665 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -2.002 6.793 3.378 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.645 7.685 4.806 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.795 6.617 4.047 1.00 0.00 N ATOM 0 H HIS A 75 -6.179 9.273 2.628 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.448 6.985 2.079 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -3.621 9.339 2.536 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -4.241 9.188 4.168 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.795 9.420 5.145 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.432 6.100 2.670 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.200 7.858 5.456 1.00 0.00 H new ATOM 1208 N ILE A 76 -5.327 5.446 3.794 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.756 4.505 4.822 1.00 0.00 C ATOM 1210 C ILE A 76 -4.624 4.205 5.798 1.00 0.00 C ATOM 1211 O ILE A 76 -4.800 4.287 7.014 1.00 0.00 O ATOM 1212 CB ILE A 76 -6.243 3.177 4.209 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.282 3.437 3.118 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.815 2.271 5.289 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.291 2.380 2.037 1.00 0.00 C ATOM 0 H ILE A 76 -5.004 5.009 2.931 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.582 4.978 5.352 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.390 2.674 3.754 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.271 3.490 3.573 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.087 4.409 2.665 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.154 1.338 4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.045 2.058 6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.656 2.768 5.772 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.051 2.625 1.295 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.313 2.342 1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.515 1.409 2.479 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.464 3.848 5.258 1.00 0.00 N ATOM 1228 CA GLY A 77 -2.322 3.534 6.095 1.00 0.00 C ATOM 1229 C GLY A 77 -1.707 2.192 5.759 1.00 0.00 C ATOM 1230 O GLY A 77 -1.826 1.710 4.633 1.00 0.00 O ATOM 0 H GLY A 77 -3.294 3.771 4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.568 4.313 5.983 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.630 3.537 7.140 1.00 0.00 H new ATOM 1234 N GLY A 78 -1.040 1.593 6.738 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.404 0.305 6.527 1.00 0.00 C ATOM 1236 C GLY A 78 -1.357 -0.858 6.730 1.00 0.00 C ATOM 1237 O GLY A 78 -2.545 -0.757 6.421 1.00 0.00 O ATOM 0 H GLY A 78 -0.928 1.977 7.676 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.001 0.266 5.516 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.438 0.203 7.212 1.00 0.00 H new ATOM 1241 N PHE A 79 -0.836 -1.967 7.248 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.649 -3.154 7.488 1.00 0.00 C ATOM 1243 C PHE A 79 -2.604 -2.932 8.656 1.00 0.00 C ATOM 1244 O PHE A 79 -3.816 -2.829 8.467 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.758 -4.367 7.764 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.529 -5.640 7.974 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.504 -6.035 7.068 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.282 -6.442 9.077 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.217 -7.203 7.261 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -1.991 -7.612 9.274 1.00 0.00 C ATOM 1251 CZ PHE A 79 -2.960 -7.993 8.366 1.00 0.00 C ATOM 0 H PHE A 79 0.145 -2.068 7.509 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.238 -3.345 6.591 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.071 -4.501 6.929 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -0.151 -4.169 8.647 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.708 -5.422 6.202 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.527 -6.149 9.791 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.974 -7.498 6.550 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.788 -8.228 10.137 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.516 -8.906 8.519 1.00 0.00 H new ATOM 1261 N ASP A 80 -2.052 -2.857 9.865 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.862 -2.644 11.062 1.00 0.00 C ATOM 1263 C ASP A 80 -3.735 -1.405 10.904 1.00 0.00 C ATOM 1264 O ASP A 80 -4.932 -1.429 11.204 1.00 0.00 O ATOM 1265 CB ASP A 80 -1.965 -2.497 12.294 1.00 0.00 C ATOM 1266 CG ASP A 80 -2.759 -2.492 13.586 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -3.455 -1.490 13.851 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -2.684 -3.491 14.332 1.00 0.00 O ATOM 0 H ASP A 80 -1.051 -2.940 10.041 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.507 -3.512 11.197 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.245 -3.315 12.316 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.394 -1.571 12.217 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.130 -0.323 10.424 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.853 0.923 10.214 1.00 0.00 C ATOM 1275 C GLN A 81 -5.064 0.682 9.322 1.00 0.00 C ATOM 1276 O GLN A 81 -6.110 1.307 9.491 1.00 0.00 O ATOM 1277 CB GLN A 81 -2.938 1.974 9.586 1.00 0.00 C ATOM 1278 CG GLN A 81 -1.746 2.342 10.456 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.894 3.706 11.102 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -1.711 3.855 12.310 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -2.230 4.708 10.299 1.00 0.00 N ATOM 0 H GLN A 81 -2.142 -0.285 10.174 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.194 1.293 11.181 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.576 1.602 8.627 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.519 2.873 9.381 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -1.621 1.588 11.233 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.840 2.328 9.850 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.372 4.538 9.303 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.347 5.648 10.678 1.00 0.00 H new ATOM 1290 N LEU A 82 -4.913 -0.240 8.375 1.00 0.00 N ATOM 1291 CA LEU A 82 -5.996 -0.575 7.463 1.00 0.00 C ATOM 1292 C LEU A 82 -7.056 -1.416 8.160 1.00 0.00 C ATOM 1293 O LEU A 82 -8.249 -1.211 7.950 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.470 -1.299 6.237 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.571 -1.776 5.302 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.253 -1.430 3.864 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -6.780 -3.260 5.484 1.00 0.00 C ATOM 0 H LEU A 82 -4.053 -0.766 8.222 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.457 0.358 7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.801 -0.634 5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.877 -2.156 6.556 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.499 -1.262 5.553 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.057 -1.783 3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.155 -0.349 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.318 -1.908 3.573 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.569 -3.601 4.814 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.855 -3.789 5.254 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.067 -3.463 6.516 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.629 -2.348 9.007 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.576 -3.182 9.742 1.00 0.00 C ATOM 1311 C ARG A 83 -8.592 -2.288 10.440 1.00 0.00 C ATOM 1312 O ARG A 83 -9.743 -2.671 10.638 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.845 -4.055 10.764 1.00 0.00 C ATOM 1314 CG ARG A 83 -7.561 -5.360 11.074 1.00 0.00 C ATOM 1315 CD ARG A 83 -6.719 -6.257 11.967 1.00 0.00 C ATOM 1316 NE ARG A 83 -6.814 -5.875 13.374 1.00 0.00 N ATOM 1317 CZ ARG A 83 -6.124 -6.461 14.349 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -5.286 -7.453 14.076 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -6.271 -6.052 15.603 1.00 0.00 N ATOM 0 H ARG A 83 -5.647 -2.544 9.200 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.091 -3.841 9.043 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.846 -4.279 10.390 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.720 -3.491 11.688 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.512 -5.148 11.562 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.789 -5.881 10.144 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.042 -7.291 11.850 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.678 -6.211 11.648 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.446 -5.115 13.623 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.168 -7.771 13.114 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -4.760 -7.898 14.828 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.913 -5.289 15.819 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.742 -6.501 16.351 1.00 0.00 H new ATOM 1333 N GLU A 84 -8.158 -1.077 10.784 1.00 0.00 N ATOM 1334 CA GLU A 84 -9.035 -0.109 11.424 1.00 0.00 C ATOM 1335 C GLU A 84 -10.046 0.408 10.407 1.00 0.00 C ATOM 1336 O GLU A 84 -11.197 0.688 10.743 1.00 0.00 O ATOM 1337 CB GLU A 84 -8.225 1.053 12.003 1.00 0.00 C ATOM 1338 CG GLU A 84 -7.410 0.675 13.229 1.00 0.00 C ATOM 1339 CD GLU A 84 -6.325 1.687 13.542 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -6.432 2.839 13.069 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -5.368 1.329 14.261 1.00 0.00 O ATOM 0 H GLU A 84 -7.205 -0.747 10.629 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.563 -0.596 12.244 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.553 1.435 11.234 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.905 1.864 12.265 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.074 0.583 14.088 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.955 -0.303 13.071 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.609 0.504 9.152 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.470 0.954 8.070 1.00 0.00 C ATOM 1350 C TYR A 85 -11.573 -0.072 7.834 1.00 0.00 C ATOM 1351 O TYR A 85 -12.690 0.269 7.448 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.636 1.141 6.800 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.396 1.719 5.629 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.376 0.983 4.976 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -10.120 2.999 5.168 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.059 1.506 3.896 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -10.799 3.531 4.090 1.00 0.00 C ATOM 1358 CZ TYR A 85 -11.767 2.781 3.457 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.445 3.307 2.381 1.00 0.00 O ATOM 0 H TYR A 85 -8.658 0.274 8.863 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.928 1.907 8.336 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.793 1.794 7.027 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.222 0.176 6.507 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.608 -0.015 5.319 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.361 3.589 5.661 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -12.817 0.920 3.398 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.573 4.529 3.745 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.120 4.214 2.201 1.00 0.00 H new ATOM 1369 N PHE A 86 -11.237 -1.338 8.082 1.00 0.00 N ATOM 1370 CA PHE A 86 -12.169 -2.444 7.912 1.00 0.00 C ATOM 1371 C PHE A 86 -12.852 -2.808 9.229 1.00 0.00 C ATOM 1372 O PHE A 86 -14.045 -2.566 9.408 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.420 -3.651 7.346 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.266 -3.590 5.855 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.377 -3.650 5.031 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -10.015 -3.453 5.278 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.244 -3.574 3.659 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.875 -3.379 3.905 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.992 -3.438 3.095 1.00 0.00 C ATOM 0 H PHE A 86 -10.312 -1.621 8.406 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.950 -2.137 7.216 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.434 -3.710 7.807 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.953 -4.563 7.615 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.359 -3.758 5.467 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.139 -3.403 5.908 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -13.119 -3.621 3.028 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.894 -3.275 3.466 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.886 -3.378 2.022 1.00 0.00 H new ATOM 1389 N LYS A 87 -12.087 -3.388 10.149 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.621 -3.781 11.448 1.00 0.00 C ATOM 1391 C LYS A 87 -13.746 -4.799 11.290 1.00 0.00 C ATOM 1392 O LYS A 87 -14.449 -5.063 12.289 1.00 0.00 O ATOM 1393 CB LYS A 87 -13.132 -2.554 12.206 1.00 0.00 C ATOM 1394 CG LYS A 87 -12.059 -1.854 13.025 1.00 0.00 C ATOM 1395 CD LYS A 87 -12.667 -0.989 14.117 1.00 0.00 C ATOM 1396 CE LYS A 87 -13.267 0.286 13.547 1.00 0.00 C ATOM 1397 NZ LYS A 87 -13.060 1.450 14.453 1.00 0.00 N ATOM 1398 OXT LYS A 87 -13.915 -5.324 10.170 1.00 0.00 O ATOM 0 H LYS A 87 -11.097 -3.596 10.019 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.815 -4.243 12.018 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.552 -1.846 11.492 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -13.942 -2.858 12.868 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -11.399 -2.597 13.473 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -11.445 -1.236 12.370 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.438 -1.552 14.642 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.902 -0.736 14.851 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.817 0.497 12.577 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.334 0.142 13.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -13.483 2.300 14.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.511 1.260 15.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -12.041 1.604 14.593 1.00 0.00 H new TER 1412 LYS A 87