USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=14 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 67 GLN : amide:sc= -10.4! C(o=-17!,f=-16!) USER MOD Set 1.2: A 75 HIS : no HE2:sc= -6.72! C(o=-17!,f=-19!) USER MOD Set 2.1: A 7 TYR OH : rot 117:sc= -0.492 USER MOD Set 2.2: A 12 HIS : no HD1:sc= -6.76! C(o=-17!,f=-13!) USER MOD Set 2.3: A 37 MET CE :methyl -123:sc= -9.33! (180deg=-1.59) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= -4.98! (180deg=-8.18!) USER MOD Single : A 3 LYS NZ :NH3+ -121:sc= 0.279 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0829 USER MOD Single : A 10 ASN : amide:sc= 0 K(o=0,f=-0.75) 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= -1.29 X(o=-1.3,f=-0.87) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0385 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.81 K(o=-1.8,f=-5.2!) USER MOD Single : A 35 ASN : amide:sc= -1.04 X(o=-1,f=-0.93) 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= -0.0489 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0.118 K(o=0.12,f=-2.8!) 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 -12.101 1.377 -5.075 1.00 0.00 N ATOM 2 CA MET A 1 -11.071 0.312 -5.049 1.00 0.00 C ATOM 3 C MET A 1 -9.869 0.716 -4.206 1.00 0.00 C ATOM 4 O MET A 1 -9.415 1.856 -4.263 1.00 0.00 O ATOM 5 CB MET A 1 -10.650 0.041 -6.495 1.00 0.00 C ATOM 6 CG MET A 1 -9.449 -0.870 -6.660 1.00 0.00 C ATOM 7 SD MET A 1 -8.638 -0.650 -8.255 1.00 0.00 S ATOM 8 CE MET A 1 -9.701 -1.631 -9.314 1.00 0.00 C ATOM 0 H1 MET A 1 -12.629 1.328 -5.970 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.757 1.245 -4.279 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.641 2.306 -4.995 1.00 0.00 H new ATOM 0 HA MET A 1 -11.483 -0.588 -4.593 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.495 -0.399 -7.026 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.432 0.994 -6.977 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.734 -0.673 -5.861 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.766 -1.908 -6.556 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.329 -1.594 -10.338 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.707 -2.664 -8.967 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.715 -1.232 -9.282 1.00 0.00 H new ATOM 20 N PHE A 2 -9.353 -0.227 -3.424 1.00 0.00 N ATOM 21 CA PHE A 2 -8.201 0.045 -2.578 1.00 0.00 C ATOM 22 C PHE A 2 -6.934 0.062 -3.420 1.00 0.00 C ATOM 23 O PHE A 2 -6.901 -0.490 -4.520 1.00 0.00 O ATOM 24 CB PHE A 2 -8.081 -0.999 -1.465 1.00 0.00 C ATOM 25 CG PHE A 2 -9.115 -0.855 -0.384 1.00 0.00 C ATOM 26 CD1 PHE A 2 -10.338 -1.496 -0.489 1.00 0.00 C ATOM 27 CD2 PHE A 2 -8.859 -0.087 0.739 1.00 0.00 C ATOM 28 CE1 PHE A 2 -11.288 -1.372 0.505 1.00 0.00 C ATOM 29 CE2 PHE A 2 -9.805 0.042 1.738 1.00 0.00 C ATOM 30 CZ PHE A 2 -11.021 -0.602 1.620 1.00 0.00 C ATOM 0 H PHE A 2 -9.713 -1.179 -3.360 1.00 0.00 H new ATOM 0 HA PHE A 2 -8.337 1.022 -2.114 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -8.163 -1.994 -1.903 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -7.089 -0.928 -1.018 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.551 -2.100 -1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.909 0.417 0.835 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -12.238 -1.876 0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.594 0.645 2.609 1.00 0.00 H new ATOM 0 HZ PHE A 2 -11.763 -0.504 2.399 1.00 0.00 H new ATOM 40 N LYS A 3 -5.897 0.707 -2.906 1.00 0.00 N ATOM 41 CA LYS A 3 -4.635 0.804 -3.621 1.00 0.00 C ATOM 42 C LYS A 3 -3.461 0.616 -2.672 1.00 0.00 C ATOM 43 O LYS A 3 -3.303 1.370 -1.716 1.00 0.00 O ATOM 44 CB LYS A 3 -4.533 2.167 -4.306 1.00 0.00 C ATOM 45 CG LYS A 3 -5.171 2.208 -5.684 1.00 0.00 C ATOM 46 CD LYS A 3 -6.660 2.513 -5.598 1.00 0.00 C ATOM 47 CE LYS A 3 -7.010 3.806 -6.316 1.00 0.00 C ATOM 48 NZ LYS A 3 -8.423 4.207 -6.078 1.00 0.00 N ATOM 0 H LYS A 3 -5.905 1.170 -1.997 1.00 0.00 H new ATOM 0 HA LYS A 3 -4.602 0.015 -4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -5.007 2.918 -3.674 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -3.482 2.442 -4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.677 2.966 -6.293 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.022 1.251 -6.184 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.226 1.690 -6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -6.957 2.586 -4.552 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -6.345 4.601 -5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -6.842 3.684 -7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -8.924 4.269 -6.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.888 3.499 -5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -8.446 5.133 -5.606 1.00 0.00 H new ATOM 62 N VAL A 4 -2.637 -0.391 -2.932 1.00 0.00 N ATOM 63 CA VAL A 4 -1.481 -0.648 -2.080 1.00 0.00 C ATOM 64 C VAL A 4 -0.185 -0.204 -2.742 1.00 0.00 C ATOM 65 O VAL A 4 0.080 -0.517 -3.902 1.00 0.00 O ATOM 66 CB VAL A 4 -1.359 -2.137 -1.686 1.00 0.00 C ATOM 67 CG1 VAL A 4 0.061 -2.469 -1.246 1.00 0.00 C ATOM 68 CG2 VAL A 4 -2.331 -2.473 -0.573 1.00 0.00 C ATOM 0 H VAL A 4 -2.744 -1.036 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.645 -0.061 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.601 -2.736 -2.564 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.121 -3.523 -0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.752 -2.266 -2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.328 -1.856 -0.385 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.231 -3.526 -0.308 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.112 -1.857 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.350 -2.278 -0.908 1.00 0.00 H new ATOM 78 N TYR A 5 0.629 0.506 -1.972 1.00 0.00 N ATOM 79 CA TYR A 5 1.917 0.984 -2.443 1.00 0.00 C ATOM 80 C TYR A 5 3.026 0.205 -1.743 1.00 0.00 C ATOM 81 O TYR A 5 3.368 0.502 -0.600 1.00 0.00 O ATOM 82 CB TYR A 5 2.081 2.478 -2.142 1.00 0.00 C ATOM 83 CG TYR A 5 1.256 3.403 -3.017 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.040 3.079 -3.402 1.00 0.00 C ATOM 85 CD2 TYR A 5 1.782 4.615 -3.445 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.784 3.937 -4.191 1.00 0.00 C ATOM 87 CE2 TYR A 5 1.042 5.478 -4.233 1.00 0.00 C ATOM 88 CZ TYR A 5 -0.239 5.133 -4.603 1.00 0.00 C ATOM 89 OH TYR A 5 -0.979 5.988 -5.388 1.00 0.00 O ATOM 0 H TYR A 5 0.414 0.764 -1.009 1.00 0.00 H new ATOM 0 HA TYR A 5 1.975 0.836 -3.521 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.814 2.655 -1.100 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.133 2.742 -2.251 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.472 2.143 -3.080 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.786 4.888 -3.158 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -1.789 3.670 -4.483 1.00 0.00 H new ATOM 0 HE2 TYR A 5 1.466 6.417 -4.556 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.449 6.787 -5.590 1.00 0.00 H new ATOM 99 N GLY A 6 3.576 -0.798 -2.418 1.00 0.00 N ATOM 100 CA GLY A 6 4.627 -1.593 -1.812 1.00 0.00 C ATOM 101 C GLY A 6 5.451 -2.356 -2.831 1.00 0.00 C ATOM 102 O GLY A 6 5.823 -1.813 -3.872 1.00 0.00 O ATOM 0 H GLY A 6 3.316 -1.073 -3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 6 5.283 -0.940 -1.236 1.00 0.00 H new ATOM 0 HA3 GLY A 6 4.183 -2.298 -1.109 1.00 0.00 H new ATOM 106 N TYR A 7 5.752 -3.613 -2.522 1.00 0.00 N ATOM 107 CA TYR A 7 6.550 -4.448 -3.399 1.00 0.00 C ATOM 108 C TYR A 7 5.759 -5.635 -3.926 1.00 0.00 C ATOM 109 O TYR A 7 4.742 -6.024 -3.354 1.00 0.00 O ATOM 110 CB TYR A 7 7.776 -4.940 -2.647 1.00 0.00 C ATOM 111 CG TYR A 7 8.678 -3.821 -2.212 1.00 0.00 C ATOM 112 CD1 TYR A 7 9.479 -3.165 -3.132 1.00 0.00 C ATOM 113 CD2 TYR A 7 8.717 -3.409 -0.887 1.00 0.00 C ATOM 114 CE1 TYR A 7 10.297 -2.131 -2.745 1.00 0.00 C ATOM 115 CE2 TYR A 7 9.535 -2.370 -0.490 1.00 0.00 C ATOM 116 CZ TYR A 7 10.323 -1.733 -1.423 1.00 0.00 C ATOM 117 OH TYR A 7 11.140 -0.697 -1.035 1.00 0.00 O ATOM 0 H TYR A 7 5.451 -4.074 -1.664 1.00 0.00 H new ATOM 0 HA TYR A 7 6.851 -3.846 -4.257 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.457 -5.505 -1.771 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.336 -5.626 -3.283 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.460 -3.470 -4.168 1.00 0.00 H new ATOM 0 HD2 TYR A 7 8.098 -3.908 -0.156 1.00 0.00 H new ATOM 0 HE1 TYR A 7 10.918 -1.631 -3.473 1.00 0.00 H new ATOM 0 HE2 TYR A 7 9.557 -2.059 0.544 1.00 0.00 H new ATOM 0 HH TYR A 7 10.593 0.041 -0.695 1.00 0.00 H new ATOM 127 N ASP A 8 6.239 -6.209 -5.019 1.00 0.00 N ATOM 128 CA ASP A 8 5.588 -7.357 -5.626 1.00 0.00 C ATOM 129 C ASP A 8 6.019 -8.648 -4.933 1.00 0.00 C ATOM 130 O ASP A 8 5.244 -9.252 -4.192 1.00 0.00 O ATOM 131 CB ASP A 8 5.920 -7.429 -7.116 1.00 0.00 C ATOM 132 CG ASP A 8 5.082 -6.473 -7.943 1.00 0.00 C ATOM 133 OD1 ASP A 8 3.932 -6.828 -8.277 1.00 0.00 O ATOM 134 OD2 ASP A 8 5.576 -5.369 -8.256 1.00 0.00 O ATOM 0 H ASP A 8 7.080 -5.896 -5.504 1.00 0.00 H new ATOM 0 HA ASP A 8 4.511 -7.241 -5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.976 -7.201 -7.261 1.00 0.00 H new ATOM 0 HB3 ASP A 8 5.762 -8.447 -7.472 1.00 0.00 H new ATOM 139 N SER A 9 7.259 -9.068 -5.184 1.00 0.00 N ATOM 140 CA SER A 9 7.794 -10.292 -4.587 1.00 0.00 C ATOM 141 C SER A 9 9.151 -10.648 -5.193 1.00 0.00 C ATOM 142 O SER A 9 10.055 -11.117 -4.494 1.00 0.00 O ATOM 143 CB SER A 9 6.818 -11.455 -4.793 1.00 0.00 C ATOM 144 OG SER A 9 6.182 -11.370 -6.057 1.00 0.00 O ATOM 0 H SER A 9 7.912 -8.579 -5.796 1.00 0.00 H new ATOM 0 HA SER A 9 7.924 -10.115 -3.519 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.353 -12.401 -4.715 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.067 -11.448 -4.003 1.00 0.00 H new ATOM 0 HG SER A 9 5.566 -12.124 -6.164 1.00 0.00 H new ATOM 150 N ASN A 10 9.277 -10.438 -6.499 1.00 0.00 N ATOM 151 CA ASN A 10 10.509 -10.746 -7.224 1.00 0.00 C ATOM 152 C ASN A 10 11.509 -9.588 -7.160 1.00 0.00 C ATOM 153 O ASN A 10 12.701 -9.779 -7.401 1.00 0.00 O ATOM 154 CB ASN A 10 10.193 -11.054 -8.695 1.00 0.00 C ATOM 155 CG ASN A 10 9.262 -12.242 -8.884 1.00 0.00 C ATOM 156 OD1 ASN A 10 9.022 -13.016 -7.957 1.00 0.00 O ATOM 157 ND2 ASN A 10 8.730 -12.392 -10.098 1.00 0.00 N ATOM 0 H ASN A 10 8.535 -10.052 -7.083 1.00 0.00 H new ATOM 0 HA ASN A 10 10.958 -11.617 -6.746 1.00 0.00 H new ATOM 0 HB2 ASN A 10 9.742 -10.174 -9.153 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.126 -11.246 -9.225 1.00 0.00 H new ATOM 0 HD21 ASN A 10 8.098 -13.171 -10.285 1.00 0.00 H new ATOM 0 HD22 ASN A 10 8.955 -11.728 -10.839 1.00 0.00 H new ATOM 164 N ILE A 11 11.024 -8.388 -6.853 1.00 0.00 N ATOM 165 CA ILE A 11 11.891 -7.210 -6.788 1.00 0.00 C ATOM 166 C ILE A 11 12.370 -6.926 -5.375 1.00 0.00 C ATOM 167 O ILE A 11 13.511 -6.504 -5.174 1.00 0.00 O ATOM 168 CB ILE A 11 11.162 -5.945 -7.295 1.00 0.00 C ATOM 169 CG1 ILE A 11 10.515 -6.225 -8.640 1.00 0.00 C ATOM 170 CG2 ILE A 11 12.120 -4.770 -7.402 1.00 0.00 C ATOM 171 CD1 ILE A 11 9.403 -5.266 -9.001 1.00 0.00 C ATOM 0 H ILE A 11 10.042 -8.204 -6.646 1.00 0.00 H new ATOM 0 HA ILE A 11 12.745 -7.439 -7.425 1.00 0.00 H new ATOM 0 HB ILE A 11 10.387 -5.682 -6.575 1.00 0.00 H new ATOM 0 HG12 ILE A 11 11.281 -6.185 -9.415 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.118 -7.240 -8.636 1.00 0.00 H new ATOM 0 HG21 ILE A 11 11.581 -3.893 -7.761 1.00 0.00 H new ATOM 0 HG22 ILE A 11 12.547 -4.558 -6.422 1.00 0.00 H new ATOM 0 HG23 ILE A 11 12.920 -5.015 -8.100 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.993 -5.534 -9.975 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.616 -5.322 -8.249 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.797 -4.250 -9.040 1.00 0.00 H new ATOM 183 N HIS A 12 11.485 -7.119 -4.403 1.00 0.00 N ATOM 184 CA HIS A 12 11.817 -6.831 -3.017 1.00 0.00 C ATOM 185 C HIS A 12 10.994 -7.770 -2.107 1.00 0.00 C ATOM 186 O HIS A 12 10.160 -8.526 -2.602 1.00 0.00 O ATOM 187 CB HIS A 12 11.469 -5.356 -2.789 1.00 0.00 C ATOM 188 CG HIS A 12 12.303 -4.594 -1.797 1.00 0.00 C ATOM 189 ND1 HIS A 12 12.633 -4.997 -0.544 1.00 0.00 N ATOM 190 CD2 HIS A 12 12.865 -3.386 -1.947 1.00 0.00 C ATOM 191 CE1 HIS A 12 13.374 -4.043 0.030 1.00 0.00 C ATOM 192 NE2 HIS A 12 13.545 -3.030 -0.787 1.00 0.00 N ATOM 0 H HIS A 12 10.539 -7.471 -4.550 1.00 0.00 H new ATOM 0 HA HIS A 12 12.869 -6.998 -2.787 1.00 0.00 H new ATOM 0 HB2 HIS A 12 11.534 -4.842 -3.748 1.00 0.00 H new ATOM 0 HB3 HIS A 12 10.429 -5.301 -2.467 1.00 0.00 H new ATOM 0 HD2 HIS A 12 12.799 -2.779 -2.838 1.00 0.00 H new ATOM 0 HE1 HIS A 12 13.777 -4.099 1.030 1.00 0.00 H new ATOM 0 HE2 HIS A 12 14.063 -2.170 -0.610 1.00 0.00 H new ATOM 200 N LYS A 13 11.239 -7.751 -0.798 1.00 0.00 N ATOM 201 CA LYS A 13 10.516 -8.635 0.128 1.00 0.00 C ATOM 202 C LYS A 13 9.119 -8.091 0.460 1.00 0.00 C ATOM 203 O LYS A 13 8.857 -6.898 0.313 1.00 0.00 O ATOM 204 CB LYS A 13 11.347 -8.854 1.401 1.00 0.00 C ATOM 205 CG LYS A 13 11.233 -7.735 2.427 1.00 0.00 C ATOM 206 CD LYS A 13 12.043 -8.035 3.685 1.00 0.00 C ATOM 207 CE LYS A 13 11.295 -8.960 4.636 1.00 0.00 C ATOM 208 NZ LYS A 13 11.713 -8.766 6.056 1.00 0.00 N ATOM 0 H LYS A 13 11.925 -7.141 -0.353 1.00 0.00 H new ATOM 0 HA LYS A 13 10.370 -9.597 -0.363 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.037 -9.790 1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 13 12.394 -8.969 1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.580 -6.801 1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.186 -7.592 2.694 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.992 -8.493 3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.278 -7.102 4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.224 -8.781 4.547 1.00 0.00 H new ATOM 0 HE3 LYS A 13 11.470 -9.996 4.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.178 -9.416 6.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 12.730 -8.962 6.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 11.522 -7.785 6.343 1.00 0.00 H new ATOM 222 N CYS A 14 8.212 -8.979 0.893 1.00 0.00 N ATOM 223 CA CYS A 14 6.840 -8.569 1.216 1.00 0.00 C ATOM 224 C CYS A 14 6.080 -9.642 2.005 1.00 0.00 C ATOM 225 O CYS A 14 5.364 -10.454 1.417 1.00 0.00 O ATOM 226 CB CYS A 14 6.067 -8.269 -0.077 1.00 0.00 C ATOM 227 SG CYS A 14 5.595 -6.523 -0.302 1.00 0.00 S ATOM 0 H CYS A 14 8.401 -9.972 1.026 1.00 0.00 H new ATOM 0 HA CYS A 14 6.913 -7.677 1.839 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.676 -8.578 -0.927 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.164 -8.879 -0.093 1.00 0.00 H new ATOM 232 N VAL A 15 6.200 -9.629 3.332 1.00 0.00 N ATOM 233 CA VAL A 15 5.479 -10.596 4.164 1.00 0.00 C ATOM 234 C VAL A 15 4.112 -10.056 4.578 1.00 0.00 C ATOM 235 O VAL A 15 3.120 -10.784 4.573 1.00 0.00 O ATOM 236 CB VAL A 15 6.256 -10.983 5.443 1.00 0.00 C ATOM 237 CG1 VAL A 15 7.314 -12.028 5.134 1.00 0.00 C ATOM 238 CG2 VAL A 15 6.877 -9.760 6.102 1.00 0.00 C ATOM 0 H VAL A 15 6.781 -8.970 3.850 1.00 0.00 H new ATOM 0 HA VAL A 15 5.363 -11.486 3.545 1.00 0.00 H new ATOM 0 HB VAL A 15 5.546 -11.415 6.148 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.849 -12.286 6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.837 -12.920 4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.017 -11.629 4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.417 -10.064 6.999 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.568 -9.284 5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.092 -9.055 6.373 1.00 0.00 H new ATOM 248 N TYR A 16 4.069 -8.779 4.944 1.00 0.00 N ATOM 249 CA TYR A 16 2.826 -8.145 5.372 1.00 0.00 C ATOM 250 C TYR A 16 1.933 -7.795 4.182 1.00 0.00 C ATOM 251 O TYR A 16 0.747 -7.512 4.346 1.00 0.00 O ATOM 252 CB TYR A 16 3.136 -6.878 6.174 1.00 0.00 C ATOM 253 CG TYR A 16 3.095 -7.077 7.672 1.00 0.00 C ATOM 254 CD1 TYR A 16 3.950 -7.975 8.301 1.00 0.00 C ATOM 255 CD2 TYR A 16 2.203 -6.361 8.460 1.00 0.00 C ATOM 256 CE1 TYR A 16 3.915 -8.155 9.671 1.00 0.00 C ATOM 257 CE2 TYR A 16 2.163 -6.534 9.832 1.00 0.00 C ATOM 258 CZ TYR A 16 3.020 -7.432 10.432 1.00 0.00 C ATOM 259 OH TYR A 16 2.982 -7.606 11.796 1.00 0.00 O ATOM 0 H TYR A 16 4.881 -8.162 4.953 1.00 0.00 H new ATOM 0 HA TYR A 16 2.289 -8.857 5.999 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.124 -6.514 5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.421 -6.102 5.900 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.654 -8.542 7.709 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.529 -5.657 7.994 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.585 -8.858 10.143 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.464 -5.968 10.430 1.00 0.00 H new ATOM 0 HH TYR A 16 2.297 -7.021 12.181 1.00 0.00 H new ATOM 269 N CYS A 17 2.513 -7.803 2.989 1.00 0.00 N ATOM 270 CA CYS A 17 1.777 -7.476 1.775 1.00 0.00 C ATOM 271 C CYS A 17 0.779 -8.578 1.423 1.00 0.00 C ATOM 272 O CYS A 17 -0.401 -8.309 1.200 1.00 0.00 O ATOM 273 CB CYS A 17 2.767 -7.240 0.632 1.00 0.00 C ATOM 274 SG CYS A 17 4.181 -6.192 1.117 1.00 0.00 S ATOM 0 H CYS A 17 3.495 -8.033 2.836 1.00 0.00 H new ATOM 0 HA CYS A 17 1.203 -6.565 1.941 1.00 0.00 H new ATOM 0 HB2 CYS A 17 3.139 -8.201 0.277 1.00 0.00 H new ATOM 0 HB3 CYS A 17 2.245 -6.772 -0.203 1.00 0.00 H new ATOM 279 N ASP A 18 1.255 -9.818 1.390 1.00 0.00 N ATOM 280 CA ASP A 18 0.401 -10.960 1.078 1.00 0.00 C ATOM 281 C ASP A 18 -0.794 -11.027 2.026 1.00 0.00 C ATOM 282 O ASP A 18 -1.870 -11.499 1.656 1.00 0.00 O ATOM 283 CB ASP A 18 1.204 -12.258 1.174 1.00 0.00 C ATOM 284 CG ASP A 18 0.752 -13.290 0.160 1.00 0.00 C ATOM 285 OD1 ASP A 18 -0.471 -13.527 0.060 1.00 0.00 O ATOM 286 OD2 ASP A 18 1.619 -13.861 -0.534 1.00 0.00 O ATOM 0 H ASP A 18 2.229 -10.059 1.576 1.00 0.00 H new ATOM 0 HA ASP A 18 0.030 -10.835 0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.261 -12.041 1.022 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.105 -12.671 2.178 1.00 0.00 H new ATOM 291 N ASN A 19 -0.595 -10.555 3.254 1.00 0.00 N ATOM 292 CA ASN A 19 -1.652 -10.565 4.260 1.00 0.00 C ATOM 293 C ASN A 19 -2.738 -9.548 3.923 1.00 0.00 C ATOM 294 O ASN A 19 -3.924 -9.877 3.902 1.00 0.00 O ATOM 295 CB ASN A 19 -1.064 -10.277 5.644 1.00 0.00 C ATOM 296 CG ASN A 19 0.089 -11.204 5.979 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.123 -12.354 5.540 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.042 -10.710 6.762 1.00 0.00 N ATOM 0 H ASN A 19 0.289 -10.161 3.576 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.108 -11.555 4.267 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.721 -9.243 5.683 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -1.844 -10.383 6.398 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.841 -11.289 7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.975 -9.751 7.104 1.00 0.00 H new ATOM 305 N ALA A 20 -2.327 -8.312 3.652 1.00 0.00 N ATOM 306 CA ALA A 20 -3.269 -7.251 3.310 1.00 0.00 C ATOM 307 C ALA A 20 -4.121 -7.640 2.107 1.00 0.00 C ATOM 308 O ALA A 20 -5.342 -7.484 2.122 1.00 0.00 O ATOM 309 CB ALA A 20 -2.521 -5.955 3.033 1.00 0.00 C ATOM 0 H ALA A 20 -1.349 -8.021 3.663 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.935 -7.101 4.159 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.234 -5.171 2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.960 -5.662 3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.833 -6.103 2.201 1.00 0.00 H new ATOM 315 N LYS A 21 -3.471 -8.152 1.068 1.00 0.00 N ATOM 316 CA LYS A 21 -4.169 -8.567 -0.143 1.00 0.00 C ATOM 317 C LYS A 21 -5.192 -9.655 0.169 1.00 0.00 C ATOM 318 O LYS A 21 -6.369 -9.530 -0.168 1.00 0.00 O ATOM 319 CB LYS A 21 -3.167 -9.074 -1.182 1.00 0.00 C ATOM 320 CG LYS A 21 -3.807 -9.501 -2.492 1.00 0.00 C ATOM 321 CD LYS A 21 -2.960 -10.534 -3.217 1.00 0.00 C ATOM 322 CE LYS A 21 -3.647 -11.032 -4.478 1.00 0.00 C ATOM 323 NZ LYS A 21 -2.688 -11.683 -5.413 1.00 0.00 N ATOM 0 H LYS A 21 -2.461 -8.290 1.040 1.00 0.00 H new ATOM 0 HA LYS A 21 -4.696 -7.703 -0.548 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.438 -8.289 -1.383 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.619 -9.918 -0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.797 -9.913 -2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.945 -8.629 -3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.995 -10.098 -3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.762 -11.375 -2.553 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.430 -11.741 -4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.133 -10.196 -4.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.196 -12.009 -6.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -1.955 -10.999 -5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -2.242 -12.496 -4.943 1.00 0.00 H new ATOM 337 N ARG A 22 -4.735 -10.721 0.822 1.00 0.00 N ATOM 338 CA ARG A 22 -5.612 -11.830 1.183 1.00 0.00 C ATOM 339 C ARG A 22 -6.749 -11.345 2.077 1.00 0.00 C ATOM 340 O ARG A 22 -7.877 -11.829 1.986 1.00 0.00 O ATOM 341 CB ARG A 22 -4.818 -12.928 1.895 1.00 0.00 C ATOM 342 CG ARG A 22 -5.191 -14.334 1.449 1.00 0.00 C ATOM 343 CD ARG A 22 -6.444 -14.829 2.153 1.00 0.00 C ATOM 344 NE ARG A 22 -6.141 -15.827 3.176 1.00 0.00 N ATOM 345 CZ ARG A 22 -5.786 -17.082 2.905 1.00 0.00 C ATOM 346 NH1 ARG A 22 -5.687 -17.495 1.648 1.00 0.00 N ATOM 347 NH2 ARG A 22 -5.527 -17.925 3.895 1.00 0.00 N ATOM 0 H ARG A 22 -3.764 -10.839 1.111 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.038 -12.241 0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.754 -12.769 1.717 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.978 -12.842 2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.350 -14.344 0.371 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.364 -15.014 1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.959 -13.985 2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.126 -15.258 1.419 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.205 -15.547 4.155 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.883 -16.850 0.882 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.415 -18.457 1.447 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.600 -17.612 4.863 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.255 -18.886 3.688 1.00 0.00 H new ATOM 361 N LEU A 23 -6.441 -10.377 2.936 1.00 0.00 N ATOM 362 CA LEU A 23 -7.433 -9.811 3.842 1.00 0.00 C ATOM 363 C LEU A 23 -8.603 -9.233 3.055 1.00 0.00 C ATOM 364 O LEU A 23 -9.760 -9.572 3.299 1.00 0.00 O ATOM 365 CB LEU A 23 -6.785 -8.727 4.713 1.00 0.00 C ATOM 366 CG LEU A 23 -7.751 -7.763 5.410 1.00 0.00 C ATOM 367 CD1 LEU A 23 -7.084 -7.129 6.621 1.00 0.00 C ATOM 368 CD2 LEU A 23 -8.227 -6.688 4.444 1.00 0.00 C ATOM 0 H LEU A 23 -5.510 -9.968 3.023 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.813 -10.602 4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.177 -9.215 5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.107 -8.144 4.089 1.00 0.00 H new ATOM 0 HG LEU A 23 -8.619 -8.330 5.747 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -7.783 -6.447 7.106 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.791 -7.908 7.324 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.200 -6.577 6.302 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.912 -6.014 4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.370 -6.124 4.077 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.741 -7.155 3.604 1.00 0.00 H new ATOM 380 N LEU A 24 -8.288 -8.360 2.103 1.00 0.00 N ATOM 381 CA LEU A 24 -9.308 -7.731 1.272 1.00 0.00 C ATOM 382 C LEU A 24 -10.164 -8.785 0.580 1.00 0.00 C ATOM 383 O LEU A 24 -11.391 -8.692 0.567 1.00 0.00 O ATOM 384 CB LEU A 24 -8.656 -6.817 0.236 1.00 0.00 C ATOM 385 CG LEU A 24 -8.068 -5.524 0.802 1.00 0.00 C ATOM 386 CD1 LEU A 24 -6.800 -5.141 0.059 1.00 0.00 C ATOM 387 CD2 LEU A 24 -9.087 -4.401 0.727 1.00 0.00 C ATOM 0 H LEU A 24 -7.333 -8.072 1.888 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.953 -7.132 1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -7.863 -7.370 -0.268 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.398 -6.562 -0.521 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.814 -5.692 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.398 -4.218 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.063 -5.938 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.028 -4.992 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.653 -3.488 1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.371 -4.236 -0.312 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.970 -4.672 1.306 1.00 0.00 H new ATOM 399 N THR A 25 -9.509 -9.797 0.014 1.00 0.00 N ATOM 400 CA THR A 25 -10.216 -10.875 -0.665 1.00 0.00 C ATOM 401 C THR A 25 -11.217 -11.523 0.283 1.00 0.00 C ATOM 402 O THR A 25 -12.306 -11.932 -0.122 1.00 0.00 O ATOM 403 CB THR A 25 -9.226 -11.922 -1.178 1.00 0.00 C ATOM 404 OG1 THR A 25 -7.977 -11.327 -1.477 1.00 0.00 O ATOM 405 CG2 THR A 25 -9.703 -12.639 -2.423 1.00 0.00 C ATOM 0 H THR A 25 -8.493 -9.891 0.013 1.00 0.00 H new ATOM 0 HA THR A 25 -10.753 -10.457 -1.516 1.00 0.00 H new ATOM 0 HB THR A 25 -9.134 -12.650 -0.372 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.357 -12.013 -1.802 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.954 -13.367 -2.733 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.641 -13.152 -2.211 1.00 0.00 H new ATOM 0 HG23 THR A 25 -9.858 -11.915 -3.223 1.00 0.00 H new ATOM 413 N VAL A 26 -10.839 -11.597 1.556 1.00 0.00 N ATOM 414 CA VAL A 26 -11.693 -12.177 2.584 1.00 0.00 C ATOM 415 C VAL A 26 -12.778 -11.189 2.999 1.00 0.00 C ATOM 416 O VAL A 26 -13.881 -11.584 3.379 1.00 0.00 O ATOM 417 CB VAL A 26 -10.873 -12.580 3.825 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.751 -13.281 4.849 1.00 0.00 C ATOM 419 CG2 VAL A 26 -9.700 -13.463 3.425 1.00 0.00 C ATOM 0 H VAL A 26 -9.940 -11.260 1.900 1.00 0.00 H new ATOM 0 HA VAL A 26 -12.156 -13.069 2.161 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.479 -11.673 4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.150 -13.556 5.716 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.552 -12.611 5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.181 -14.179 4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.132 -13.738 4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.073 -14.365 2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.054 -12.920 2.735 1.00 0.00 H new ATOM 429 N LYS A 27 -12.456 -9.902 2.918 1.00 0.00 N ATOM 430 CA LYS A 27 -13.398 -8.849 3.278 1.00 0.00 C ATOM 431 C LYS A 27 -14.400 -8.603 2.150 1.00 0.00 C ATOM 432 O LYS A 27 -15.467 -8.029 2.370 1.00 0.00 O ATOM 433 CB LYS A 27 -12.647 -7.553 3.602 1.00 0.00 C ATOM 434 CG LYS A 27 -12.621 -7.214 5.084 1.00 0.00 C ATOM 435 CD LYS A 27 -13.883 -6.480 5.509 1.00 0.00 C ATOM 436 CE LYS A 27 -14.321 -6.888 6.907 1.00 0.00 C ATOM 437 NZ LYS A 27 -15.370 -7.943 6.873 1.00 0.00 N ATOM 0 H LYS A 27 -11.546 -9.563 2.605 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.947 -9.174 4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.622 -7.637 3.240 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -13.110 -6.730 3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.518 -8.130 5.666 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.749 -6.597 5.302 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.707 -5.405 5.481 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.684 -6.690 4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.459 -7.251 7.466 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.701 -6.015 7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.642 -8.194 7.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -16.203 -7.588 6.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.999 -8.786 6.389 1.00 0.00 H new ATOM 451 N LYS A 28 -14.049 -9.039 0.940 1.00 0.00 N ATOM 452 CA LYS A 28 -14.915 -8.865 -0.225 1.00 0.00 C ATOM 453 C LYS A 28 -14.913 -7.412 -0.693 1.00 0.00 C ATOM 454 O LYS A 28 -15.941 -6.735 -0.660 1.00 0.00 O ATOM 455 CB LYS A 28 -16.346 -9.312 0.093 1.00 0.00 C ATOM 456 CG LYS A 28 -17.128 -9.762 -1.130 1.00 0.00 C ATOM 457 CD LYS A 28 -17.923 -11.027 -0.850 1.00 0.00 C ATOM 458 CE LYS A 28 -17.151 -12.272 -1.254 1.00 0.00 C ATOM 459 NZ LYS A 28 -17.785 -13.514 -0.733 1.00 0.00 N ATOM 0 H LYS A 28 -13.169 -9.516 0.742 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.523 -9.488 -1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.311 -10.130 0.813 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.877 -8.489 0.571 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.805 -8.967 -1.442 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -16.441 -9.939 -1.957 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.167 -11.077 0.211 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.868 -10.992 -1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.090 -12.324 -2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.129 -12.202 -0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.227 -14.340 -1.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.820 -13.476 0.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.751 -13.595 -1.109 1.00 0.00 H new ATOM 473 N GLN A 29 -13.750 -6.940 -1.130 1.00 0.00 N ATOM 474 CA GLN A 29 -13.616 -5.569 -1.600 1.00 0.00 C ATOM 475 C GLN A 29 -12.672 -5.488 -2.799 1.00 0.00 C ATOM 476 O GLN A 29 -11.633 -6.147 -2.823 1.00 0.00 O ATOM 477 CB GLN A 29 -13.099 -4.675 -0.470 1.00 0.00 C ATOM 478 CG GLN A 29 -14.207 -4.028 0.348 1.00 0.00 C ATOM 479 CD GLN A 29 -14.528 -2.619 -0.110 1.00 0.00 C ATOM 480 OE1 GLN A 29 -13.967 -2.127 -1.089 1.00 0.00 O ATOM 481 NE2 GLN A 29 -15.439 -1.961 0.599 1.00 0.00 N ATOM 0 H GLN A 29 -12.890 -7.486 -1.168 1.00 0.00 H new ATOM 0 HA GLN A 29 -14.600 -5.221 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.469 -5.268 0.192 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.469 -3.894 -0.895 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.106 -4.640 0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -13.913 -4.006 1.397 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.879 -2.407 1.404 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.698 -1.009 0.339 1.00 0.00 H new ATOM 490 N PRO A 30 -13.016 -4.667 -3.808 1.00 0.00 N ATOM 491 CA PRO A 30 -12.183 -4.498 -5.003 1.00 0.00 C ATOM 492 C PRO A 30 -10.952 -3.653 -4.713 1.00 0.00 C ATOM 493 O PRO A 30 -11.043 -2.628 -4.038 1.00 0.00 O ATOM 494 CB PRO A 30 -13.112 -3.767 -5.970 1.00 0.00 C ATOM 495 CG PRO A 30 -14.003 -2.974 -5.083 1.00 0.00 C ATOM 496 CD PRO A 30 -14.231 -3.829 -3.865 1.00 0.00 C ATOM 0 HA PRO A 30 -11.805 -5.445 -5.387 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -12.554 -3.125 -6.652 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.680 -4.466 -6.584 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.542 -2.024 -4.814 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.945 -2.742 -5.580 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.346 -3.225 -2.965 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.133 -4.434 -3.961 1.00 0.00 H new ATOM 504 N PHE A 31 -9.802 -4.081 -5.215 1.00 0.00 N ATOM 505 CA PHE A 31 -8.568 -3.346 -4.985 1.00 0.00 C ATOM 506 C PHE A 31 -7.504 -3.666 -6.030 1.00 0.00 C ATOM 507 O PHE A 31 -7.661 -4.588 -6.832 1.00 0.00 O ATOM 508 CB PHE A 31 -8.042 -3.637 -3.596 1.00 0.00 C ATOM 509 CG PHE A 31 -7.438 -4.995 -3.482 1.00 0.00 C ATOM 510 CD1 PHE A 31 -6.138 -5.215 -3.881 1.00 0.00 C ATOM 511 CD2 PHE A 31 -8.182 -6.054 -3.001 1.00 0.00 C ATOM 512 CE1 PHE A 31 -5.580 -6.471 -3.802 1.00 0.00 C ATOM 513 CE2 PHE A 31 -7.636 -7.316 -2.921 1.00 0.00 C ATOM 514 CZ PHE A 31 -6.331 -7.528 -3.321 1.00 0.00 C ATOM 0 H PHE A 31 -9.698 -4.925 -5.779 1.00 0.00 H new ATOM 0 HA PHE A 31 -8.798 -2.284 -5.072 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.295 -2.888 -3.331 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -8.856 -3.544 -2.877 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.550 -4.393 -4.260 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.202 -5.891 -2.685 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.559 -6.630 -4.115 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -8.227 -8.138 -2.546 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.899 -8.516 -3.258 1.00 0.00 H new ATOM 524 N GLU A 32 -6.416 -2.897 -6.009 1.00 0.00 N ATOM 525 CA GLU A 32 -5.320 -3.098 -6.950 1.00 0.00 C ATOM 526 C GLU A 32 -3.979 -2.776 -6.302 1.00 0.00 C ATOM 527 O GLU A 32 -3.886 -1.896 -5.447 1.00 0.00 O ATOM 528 CB GLU A 32 -5.514 -2.224 -8.189 1.00 0.00 C ATOM 529 CG GLU A 32 -4.731 -2.701 -9.400 1.00 0.00 C ATOM 530 CD GLU A 32 -4.509 -1.603 -10.422 1.00 0.00 C ATOM 531 OE1 GLU A 32 -5.407 -1.385 -11.262 1.00 0.00 O ATOM 532 OE2 GLU A 32 -3.440 -0.961 -10.381 1.00 0.00 O ATOM 0 H GLU A 32 -6.272 -2.131 -5.351 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.322 -4.147 -7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.574 -2.196 -8.441 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.215 -1.203 -7.953 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.766 -3.089 -9.074 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.264 -3.527 -9.870 1.00 0.00 H new ATOM 539 N PHE A 33 -2.943 -3.497 -6.714 1.00 0.00 N ATOM 540 CA PHE A 33 -1.610 -3.297 -6.179 1.00 0.00 C ATOM 541 C PHE A 33 -0.844 -2.253 -6.985 1.00 0.00 C ATOM 542 O PHE A 33 -1.163 -1.990 -8.144 1.00 0.00 O ATOM 543 CB PHE A 33 -0.844 -4.616 -6.189 1.00 0.00 C ATOM 544 CG PHE A 33 0.293 -4.637 -5.221 1.00 0.00 C ATOM 545 CD1 PHE A 33 0.050 -4.683 -3.864 1.00 0.00 C ATOM 546 CD2 PHE A 33 1.601 -4.598 -5.667 1.00 0.00 C ATOM 547 CE1 PHE A 33 1.094 -4.693 -2.959 1.00 0.00 C ATOM 548 CE2 PHE A 33 2.652 -4.610 -4.770 1.00 0.00 C ATOM 549 CZ PHE A 33 2.397 -4.654 -3.414 1.00 0.00 C ATOM 0 H PHE A 33 -3.006 -4.229 -7.422 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.707 -2.937 -5.155 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.530 -5.430 -5.954 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.463 -4.801 -7.193 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.968 -4.712 -3.505 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.803 -4.558 -6.727 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.891 -4.731 -1.899 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.670 -4.585 -5.129 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.216 -4.658 -2.710 1.00 0.00 H new ATOM 559 N ILE A 34 0.176 -1.671 -6.362 1.00 0.00 N ATOM 560 CA ILE A 34 1.006 -0.665 -7.013 1.00 0.00 C ATOM 561 C ILE A 34 2.437 -0.750 -6.509 1.00 0.00 C ATOM 562 O ILE A 34 2.700 -0.629 -5.313 1.00 0.00 O ATOM 563 CB ILE A 34 0.481 0.761 -6.784 1.00 0.00 C ATOM 564 CG1 ILE A 34 -1.028 0.814 -7.011 1.00 0.00 C ATOM 565 CG2 ILE A 34 1.196 1.740 -7.703 1.00 0.00 C ATOM 566 CD1 ILE A 34 -1.656 2.125 -6.593 1.00 0.00 C ATOM 0 H ILE A 34 0.448 -1.881 -5.402 1.00 0.00 H new ATOM 0 HA ILE A 34 0.971 -0.875 -8.082 1.00 0.00 H new ATOM 0 HB ILE A 34 0.683 1.047 -5.752 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.235 0.642 -8.067 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.499 0.002 -6.458 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.814 2.746 -7.530 1.00 0.00 H new ATOM 0 HG22 ILE A 34 2.266 1.717 -7.497 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.021 1.459 -8.741 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.729 2.091 -6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.481 2.290 -5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.212 2.940 -7.165 1.00 0.00 H new ATOM 578 N ASN A 35 3.351 -0.968 -7.436 1.00 0.00 N ATOM 579 CA ASN A 35 4.767 -1.085 -7.112 1.00 0.00 C ATOM 580 C ASN A 35 5.465 0.267 -7.209 1.00 0.00 C ATOM 581 O ASN A 35 5.447 0.913 -8.257 1.00 0.00 O ATOM 582 CB ASN A 35 5.439 -2.089 -8.050 1.00 0.00 C ATOM 583 CG ASN A 35 6.867 -2.395 -7.646 1.00 0.00 C ATOM 584 OD1 ASN A 35 7.178 -2.515 -6.461 1.00 0.00 O ATOM 585 ND2 ASN A 35 7.746 -2.524 -8.634 1.00 0.00 N ATOM 0 H ASN A 35 3.139 -1.069 -8.429 1.00 0.00 H new ATOM 0 HA ASN A 35 4.852 -1.440 -6.085 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.862 -3.014 -8.061 1.00 0.00 H new ATOM 0 HB3 ASN A 35 5.429 -1.695 -9.066 1.00 0.00 H new ATOM 0 HD21 ASN A 35 8.723 -2.731 -8.424 1.00 0.00 H new ATOM 0 HD22 ASN A 35 7.444 -2.416 -9.602 1.00 0.00 H new ATOM 592 N ILE A 36 6.086 0.686 -6.111 1.00 0.00 N ATOM 593 CA ILE A 36 6.798 1.957 -6.075 1.00 0.00 C ATOM 594 C ILE A 36 8.252 1.785 -6.509 1.00 0.00 C ATOM 595 O ILE A 36 8.893 2.734 -6.958 1.00 0.00 O ATOM 596 CB ILE A 36 6.757 2.587 -4.668 1.00 0.00 C ATOM 597 CG1 ILE A 36 7.447 1.674 -3.653 1.00 0.00 C ATOM 598 CG2 ILE A 36 5.320 2.862 -4.252 1.00 0.00 C ATOM 599 CD1 ILE A 36 8.869 2.083 -3.343 1.00 0.00 C ATOM 0 H ILE A 36 6.110 0.164 -5.235 1.00 0.00 H new ATOM 0 HA ILE A 36 6.292 2.624 -6.773 1.00 0.00 H new ATOM 0 HB ILE A 36 7.294 3.535 -4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.869 1.669 -2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 36 7.446 0.653 -4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.308 3.307 -3.257 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.861 3.550 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.760 1.927 -4.238 1.00 0.00 H new ATOM 0 HD11 ILE A 36 9.296 1.392 -2.617 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.462 2.060 -4.258 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.876 3.092 -2.931 1.00 0.00 H new ATOM 611 N MET A 37 8.764 0.562 -6.378 1.00 0.00 N ATOM 612 CA MET A 37 10.138 0.263 -6.767 1.00 0.00 C ATOM 613 C MET A 37 10.159 -0.801 -7.869 1.00 0.00 C ATOM 614 O MET A 37 10.140 -1.998 -7.581 1.00 0.00 O ATOM 615 CB MET A 37 10.949 -0.207 -5.551 1.00 0.00 C ATOM 616 CG MET A 37 12.387 -0.587 -5.882 1.00 0.00 C ATOM 617 SD MET A 37 13.603 0.131 -4.749 1.00 0.00 S ATOM 618 CE MET A 37 13.099 -0.555 -3.168 1.00 0.00 C ATOM 0 H MET A 37 8.248 -0.235 -6.006 1.00 0.00 H new ATOM 0 HA MET A 37 10.595 1.173 -7.155 1.00 0.00 H new ATOM 0 HB2 MET A 37 10.955 0.585 -4.802 1.00 0.00 H new ATOM 0 HB3 MET A 37 10.450 -1.066 -5.103 1.00 0.00 H new ATOM 0 HG2 MET A 37 12.481 -1.673 -5.863 1.00 0.00 H new ATOM 0 HG3 MET A 37 12.615 -0.265 -6.898 1.00 0.00 H new ATOM 0 HE1 MET A 37 12.897 0.255 -2.468 1.00 0.00 H new ATOM 0 HE2 MET A 37 12.197 -1.153 -3.302 1.00 0.00 H new ATOM 0 HE3 MET A 37 13.897 -1.185 -2.774 1.00 0.00 H new ATOM 628 N PRO A 38 10.182 -0.381 -9.154 1.00 0.00 N ATOM 629 CA PRO A 38 10.186 -1.310 -10.295 1.00 0.00 C ATOM 630 C PRO A 38 11.542 -1.969 -10.532 1.00 0.00 C ATOM 631 O PRO A 38 11.698 -2.766 -11.458 1.00 0.00 O ATOM 632 CB PRO A 38 9.821 -0.413 -11.475 1.00 0.00 C ATOM 633 CG PRO A 38 10.339 0.929 -11.094 1.00 0.00 C ATOM 634 CD PRO A 38 10.187 1.028 -9.597 1.00 0.00 C ATOM 0 HA PRO A 38 9.502 -2.143 -10.133 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.277 -0.767 -12.399 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.744 -0.391 -11.639 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.383 1.041 -11.388 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.780 1.719 -11.595 1.00 0.00 H new ATOM 0 HD2 PRO A 38 11.008 1.587 -9.147 1.00 0.00 H new ATOM 0 HD3 PRO A 38 9.264 1.538 -9.321 1.00 0.00 H new ATOM 642 N GLU A 39 12.518 -1.640 -9.697 1.00 0.00 N ATOM 643 CA GLU A 39 13.853 -2.208 -9.823 1.00 0.00 C ATOM 644 C GLU A 39 14.411 -2.542 -8.450 1.00 0.00 C ATOM 645 O GLU A 39 14.215 -1.794 -7.493 1.00 0.00 O ATOM 646 CB GLU A 39 14.786 -1.235 -10.548 1.00 0.00 C ATOM 647 CG GLU A 39 15.890 -1.923 -11.334 1.00 0.00 C ATOM 648 CD GLU A 39 17.131 -1.063 -11.476 1.00 0.00 C ATOM 649 OE1 GLU A 39 17.025 0.167 -11.287 1.00 0.00 O ATOM 650 OE2 GLU A 39 18.207 -1.620 -11.779 1.00 0.00 O ATOM 0 H GLU A 39 12.410 -0.982 -8.925 1.00 0.00 H new ATOM 0 HA GLU A 39 13.785 -3.124 -10.410 1.00 0.00 H new ATOM 0 HB2 GLU A 39 14.198 -0.618 -11.228 1.00 0.00 H new ATOM 0 HB3 GLU A 39 15.236 -0.563 -9.817 1.00 0.00 H new ATOM 0 HG2 GLU A 39 16.155 -2.857 -10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 39 15.517 -2.182 -12.325 1.00 0.00 H new ATOM 657 N LYS A 40 15.108 -3.669 -8.351 1.00 0.00 N ATOM 658 CA LYS A 40 15.683 -4.091 -7.080 1.00 0.00 C ATOM 659 C LYS A 40 16.732 -3.105 -6.583 1.00 0.00 C ATOM 660 O LYS A 40 17.213 -3.200 -5.454 1.00 0.00 O ATOM 661 CB LYS A 40 16.291 -5.489 -7.197 1.00 0.00 C ATOM 662 CG LYS A 40 17.444 -5.570 -8.185 1.00 0.00 C ATOM 663 CD LYS A 40 17.035 -6.278 -9.467 1.00 0.00 C ATOM 664 CE LYS A 40 18.125 -7.215 -9.959 1.00 0.00 C ATOM 665 NZ LYS A 40 17.566 -8.502 -10.459 1.00 0.00 N ATOM 0 H LYS A 40 15.287 -4.302 -9.130 1.00 0.00 H new ATOM 0 HA LYS A 40 14.873 -4.117 -6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.642 -5.807 -6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 40 15.514 -6.190 -7.500 1.00 0.00 H new ATOM 0 HG2 LYS A 40 17.794 -4.565 -8.420 1.00 0.00 H new ATOM 0 HG3 LYS A 40 18.280 -6.099 -7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.119 -6.843 -9.295 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.814 -5.539 -10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.689 -6.730 -10.756 1.00 0.00 H new ATOM 0 HE3 LYS A 40 18.826 -7.414 -9.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 18.341 -9.114 -10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 17.050 -8.978 -9.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 16.916 -8.315 -11.249 1.00 0.00 H new ATOM 679 N GLY A 41 17.076 -2.171 -7.442 1.00 0.00 N ATOM 680 CA GLY A 41 18.069 -1.164 -7.114 1.00 0.00 C ATOM 681 C GLY A 41 17.459 0.150 -6.660 1.00 0.00 C ATOM 682 O GLY A 41 17.605 0.540 -5.501 1.00 0.00 O ATOM 0 H GLY A 41 16.682 -2.085 -8.379 1.00 0.00 H new ATOM 0 HA2 GLY A 41 18.719 -1.547 -6.327 1.00 0.00 H new ATOM 0 HA3 GLY A 41 18.697 -0.984 -7.987 1.00 0.00 H new ATOM 686 N VAL A 42 16.779 0.840 -7.574 1.00 0.00 N ATOM 687 CA VAL A 42 16.162 2.123 -7.251 1.00 0.00 C ATOM 688 C VAL A 42 14.694 2.169 -7.657 1.00 0.00 C ATOM 689 O VAL A 42 14.321 1.700 -8.734 1.00 0.00 O ATOM 690 CB VAL A 42 16.895 3.291 -7.937 1.00 0.00 C ATOM 691 CG1 VAL A 42 16.371 4.622 -7.424 1.00 0.00 C ATOM 692 CG2 VAL A 42 18.396 3.180 -7.727 1.00 0.00 C ATOM 0 H VAL A 42 16.642 0.534 -8.537 1.00 0.00 H new ATOM 0 HA VAL A 42 16.237 2.228 -6.169 1.00 0.00 H new ATOM 0 HB VAL A 42 16.701 3.239 -9.008 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.900 5.436 -7.919 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.305 4.700 -7.636 1.00 0.00 H new ATOM 0 HG13 VAL A 42 16.532 4.686 -6.348 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.895 4.015 -8.219 1.00 0.00 H new ATOM 0 HG22 VAL A 42 18.617 3.204 -6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.754 2.242 -8.151 1.00 0.00 H new ATOM 702 N PHE A 43 13.868 2.745 -6.790 1.00 0.00 N ATOM 703 CA PHE A 43 12.437 2.862 -7.060 1.00 0.00 C ATOM 704 C PHE A 43 12.154 3.910 -8.133 1.00 0.00 C ATOM 705 O PHE A 43 13.042 4.658 -8.540 1.00 0.00 O ATOM 706 CB PHE A 43 11.655 3.205 -5.787 1.00 0.00 C ATOM 707 CG PHE A 43 12.418 4.042 -4.806 1.00 0.00 C ATOM 708 CD1 PHE A 43 13.007 5.230 -5.202 1.00 0.00 C ATOM 709 CD2 PHE A 43 12.545 3.639 -3.489 1.00 0.00 C ATOM 710 CE1 PHE A 43 13.712 6.004 -4.300 1.00 0.00 C ATOM 711 CE2 PHE A 43 13.248 4.407 -2.580 1.00 0.00 C ATOM 712 CZ PHE A 43 13.833 5.592 -2.986 1.00 0.00 C ATOM 0 H PHE A 43 14.163 3.138 -5.896 1.00 0.00 H new ATOM 0 HA PHE A 43 12.105 1.890 -7.425 1.00 0.00 H new ATOM 0 HB2 PHE A 43 10.742 3.732 -6.065 1.00 0.00 H new ATOM 0 HB3 PHE A 43 11.352 2.279 -5.299 1.00 0.00 H new ATOM 0 HD1 PHE A 43 12.915 5.556 -6.228 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.090 2.714 -3.167 1.00 0.00 H new ATOM 0 HE1 PHE A 43 14.168 6.929 -4.621 1.00 0.00 H new ATOM 0 HE2 PHE A 43 13.340 4.082 -1.554 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.383 6.194 -2.278 1.00 0.00 H new ATOM 722 N ASP A 44 10.902 3.951 -8.588 1.00 0.00 N ATOM 723 CA ASP A 44 10.485 4.899 -9.619 1.00 0.00 C ATOM 724 C ASP A 44 10.042 6.225 -9.002 1.00 0.00 C ATOM 725 O ASP A 44 9.047 6.279 -8.279 1.00 0.00 O ATOM 726 CB ASP A 44 9.343 4.308 -10.449 1.00 0.00 C ATOM 727 CG ASP A 44 9.370 4.777 -11.890 1.00 0.00 C ATOM 728 OD1 ASP A 44 10.387 4.536 -12.574 1.00 0.00 O ATOM 729 OD2 ASP A 44 8.374 5.386 -12.336 1.00 0.00 O ATOM 0 H ASP A 44 10.158 3.337 -8.257 1.00 0.00 H new ATOM 0 HA ASP A 44 11.341 5.090 -10.266 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.405 3.220 -10.423 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.390 4.584 -9.998 1.00 0.00 H new ATOM 734 N ASP A 45 10.780 7.292 -9.296 1.00 0.00 N ATOM 735 CA ASP A 45 10.463 8.617 -8.767 1.00 0.00 C ATOM 736 C ASP A 45 9.147 9.150 -9.335 1.00 0.00 C ATOM 737 O ASP A 45 8.546 10.062 -8.769 1.00 0.00 O ATOM 738 CB ASP A 45 11.593 9.599 -9.083 1.00 0.00 C ATOM 739 CG ASP A 45 11.925 9.643 -10.562 1.00 0.00 C ATOM 740 OD1 ASP A 45 10.997 9.494 -11.384 1.00 0.00 O ATOM 741 OD2 ASP A 45 13.114 9.826 -10.897 1.00 0.00 O ATOM 0 H ASP A 45 11.603 7.266 -9.898 1.00 0.00 H new ATOM 0 HA ASP A 45 10.354 8.521 -7.687 1.00 0.00 H new ATOM 0 HB2 ASP A 45 11.308 10.596 -8.748 1.00 0.00 H new ATOM 0 HB3 ASP A 45 12.484 9.316 -8.522 1.00 0.00 H new ATOM 746 N GLU A 46 8.701 8.580 -10.453 1.00 0.00 N ATOM 747 CA GLU A 46 7.456 9.011 -11.080 1.00 0.00 C ATOM 748 C GLU A 46 6.287 8.861 -10.115 1.00 0.00 C ATOM 749 O GLU A 46 5.565 9.821 -9.841 1.00 0.00 O ATOM 750 CB GLU A 46 7.191 8.202 -12.351 1.00 0.00 C ATOM 751 CG GLU A 46 5.968 8.668 -13.125 1.00 0.00 C ATOM 752 CD GLU A 46 5.578 7.710 -14.233 1.00 0.00 C ATOM 753 OE1 GLU A 46 5.943 6.518 -14.143 1.00 0.00 O ATOM 754 OE2 GLU A 46 4.910 8.150 -15.191 1.00 0.00 O ATOM 0 H GLU A 46 9.181 7.823 -10.940 1.00 0.00 H new ATOM 0 HA GLU A 46 7.556 10.064 -11.345 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.065 8.262 -12.999 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.064 7.153 -12.084 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.130 8.783 -12.438 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.166 9.651 -13.553 1.00 0.00 H new ATOM 761 N LYS A 47 6.114 7.652 -9.594 1.00 0.00 N ATOM 762 CA LYS A 47 5.040 7.379 -8.648 1.00 0.00 C ATOM 763 C LYS A 47 5.315 8.082 -7.325 1.00 0.00 C ATOM 764 O LYS A 47 4.405 8.617 -6.691 1.00 0.00 O ATOM 765 CB LYS A 47 4.893 5.873 -8.424 1.00 0.00 C ATOM 766 CG LYS A 47 4.902 5.060 -9.709 1.00 0.00 C ATOM 767 CD LYS A 47 3.496 4.661 -10.126 1.00 0.00 C ATOM 768 CE LYS A 47 3.488 3.323 -10.848 1.00 0.00 C ATOM 769 NZ LYS A 47 3.557 3.488 -12.326 1.00 0.00 N ATOM 0 H LYS A 47 6.702 6.847 -9.810 1.00 0.00 H new ATOM 0 HA LYS A 47 4.107 7.760 -9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.704 5.529 -7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.961 5.683 -7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.368 5.641 -10.505 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.509 4.165 -9.570 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.856 4.604 -9.245 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.076 5.429 -10.776 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.333 2.723 -10.510 1.00 0.00 H new ATOM 0 HE3 LYS A 47 2.583 2.775 -10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 3.549 2.553 -12.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.737 4.038 -12.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.433 3.988 -12.579 1.00 0.00 H new ATOM 783 N ILE A 48 6.581 8.084 -6.922 1.00 0.00 N ATOM 784 CA ILE A 48 6.994 8.727 -5.681 1.00 0.00 C ATOM 785 C ILE A 48 6.538 10.182 -5.645 1.00 0.00 C ATOM 786 O ILE A 48 6.019 10.655 -4.635 1.00 0.00 O ATOM 787 CB ILE A 48 8.525 8.666 -5.508 1.00 0.00 C ATOM 788 CG1 ILE A 48 8.994 7.211 -5.445 1.00 0.00 C ATOM 789 CG2 ILE A 48 8.961 9.420 -4.260 1.00 0.00 C ATOM 790 CD1 ILE A 48 10.475 7.041 -5.697 1.00 0.00 C ATOM 0 H ILE A 48 7.342 7.645 -7.440 1.00 0.00 H new ATOM 0 HA ILE A 48 6.524 8.185 -4.861 1.00 0.00 H new ATOM 0 HB ILE A 48 8.986 9.146 -6.371 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.752 6.802 -4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.440 6.627 -6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 48 10.045 9.362 -4.160 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.659 10.464 -4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.492 8.974 -3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.735 5.984 -5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.721 7.419 -6.689 1.00 0.00 H new ATOM 0 HD13 ILE A 48 11.038 7.597 -4.947 1.00 0.00 H new ATOM 802 N ALA A 49 6.732 10.886 -6.756 1.00 0.00 N ATOM 803 CA ALA A 49 6.336 12.285 -6.846 1.00 0.00 C ATOM 804 C ALA A 49 4.835 12.430 -6.635 1.00 0.00 C ATOM 805 O ALA A 49 4.387 13.169 -5.759 1.00 0.00 O ATOM 806 CB ALA A 49 6.743 12.865 -8.192 1.00 0.00 C ATOM 0 H ALA A 49 7.159 10.511 -7.603 1.00 0.00 H new ATOM 0 HA ALA A 49 6.848 12.840 -6.060 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.440 13.911 -8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.825 12.794 -8.307 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.256 12.306 -8.991 1.00 0.00 H new ATOM 812 N GLU A 50 4.062 11.706 -7.439 1.00 0.00 N ATOM 813 CA GLU A 50 2.609 11.741 -7.333 1.00 0.00 C ATOM 814 C GLU A 50 2.171 11.290 -5.944 1.00 0.00 C ATOM 815 O GLU A 50 1.236 11.843 -5.366 1.00 0.00 O ATOM 816 CB GLU A 50 1.978 10.846 -8.404 1.00 0.00 C ATOM 817 CG GLU A 50 0.489 10.603 -8.203 1.00 0.00 C ATOM 818 CD GLU A 50 -0.328 10.904 -9.445 1.00 0.00 C ATOM 819 OE1 GLU A 50 -0.095 11.962 -10.066 1.00 0.00 O ATOM 820 OE2 GLU A 50 -1.198 10.080 -9.796 1.00 0.00 O ATOM 0 H GLU A 50 4.418 11.089 -8.169 1.00 0.00 H new ATOM 0 HA GLU A 50 2.272 12.765 -7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.133 11.301 -9.382 1.00 0.00 H new ATOM 0 HB3 GLU A 50 2.495 9.887 -8.413 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.331 9.564 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 50 0.132 11.222 -7.380 1.00 0.00 H new ATOM 827 N LEU A 51 2.863 10.288 -5.409 1.00 0.00 N ATOM 828 CA LEU A 51 2.553 9.764 -4.091 1.00 0.00 C ATOM 829 C LEU A 51 2.681 10.858 -3.039 1.00 0.00 C ATOM 830 O LEU A 51 1.766 11.078 -2.246 1.00 0.00 O ATOM 831 CB LEU A 51 3.488 8.597 -3.770 1.00 0.00 C ATOM 832 CG LEU A 51 3.018 7.636 -2.671 1.00 0.00 C ATOM 833 CD1 LEU A 51 3.909 7.754 -1.452 1.00 0.00 C ATOM 834 CD2 LEU A 51 1.562 7.879 -2.293 1.00 0.00 C ATOM 0 H LEU A 51 3.644 9.824 -5.873 1.00 0.00 H new ATOM 0 HA LEU A 51 1.524 9.406 -4.083 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.645 8.023 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.456 9.004 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 51 3.089 6.622 -3.066 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.563 7.066 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.935 7.506 -1.726 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.871 8.775 -1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.267 7.178 -1.512 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.446 8.899 -1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.930 7.733 -3.169 1.00 0.00 H new ATOM 846 N LEU A 52 3.816 11.558 -3.048 1.00 0.00 N ATOM 847 CA LEU A 52 4.052 12.641 -2.108 1.00 0.00 C ATOM 848 C LEU A 52 2.853 13.574 -2.051 1.00 0.00 C ATOM 849 O LEU A 52 2.412 13.983 -0.978 1.00 0.00 O ATOM 850 CB LEU A 52 5.288 13.390 -2.517 1.00 0.00 C ATOM 851 CG LEU A 52 6.555 12.608 -2.247 1.00 0.00 C ATOM 852 CD1 LEU A 52 7.723 13.354 -2.799 1.00 0.00 C ATOM 853 CD2 LEU A 52 6.718 12.357 -0.758 1.00 0.00 C ATOM 0 H LEU A 52 4.583 11.390 -3.698 1.00 0.00 H new ATOM 0 HA LEU A 52 4.197 12.226 -1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.231 13.627 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.329 14.338 -1.981 1.00 0.00 H new ATOM 0 HG LEU A 52 6.495 11.637 -2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.637 12.793 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.597 13.484 -3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.789 14.331 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.634 11.793 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 52 6.772 13.310 -0.232 1.00 0.00 H new ATOM 0 HD23 LEU A 52 5.865 11.787 -0.390 1.00 0.00 H new ATOM 865 N THR A 53 2.317 13.879 -3.227 1.00 0.00 N ATOM 866 CA THR A 53 1.149 14.738 -3.337 1.00 0.00 C ATOM 867 C THR A 53 -0.072 14.025 -2.770 1.00 0.00 C ATOM 868 O THR A 53 -0.936 14.644 -2.147 1.00 0.00 O ATOM 869 CB THR A 53 0.909 15.117 -4.801 1.00 0.00 C ATOM 870 OG1 THR A 53 2.021 15.821 -5.325 1.00 0.00 O ATOM 871 CG2 THR A 53 -0.317 15.980 -5.009 1.00 0.00 C ATOM 0 H THR A 53 2.676 13.541 -4.120 1.00 0.00 H new ATOM 0 HA THR A 53 1.323 15.650 -2.766 1.00 0.00 H new ATOM 0 HB THR A 53 0.757 14.170 -5.319 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.850 16.053 -6.262 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.425 16.210 -6.069 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.201 15.446 -4.662 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.209 16.907 -4.446 1.00 0.00 H new ATOM 879 N LYS A 54 -0.125 12.712 -2.978 1.00 0.00 N ATOM 880 CA LYS A 54 -1.227 11.899 -2.481 1.00 0.00 C ATOM 881 C LYS A 54 -1.226 11.876 -0.955 1.00 0.00 C ATOM 882 O LYS A 54 -2.277 11.767 -0.323 1.00 0.00 O ATOM 883 CB LYS A 54 -1.131 10.470 -3.031 1.00 0.00 C ATOM 884 CG LYS A 54 -2.011 10.228 -4.246 1.00 0.00 C ATOM 885 CD LYS A 54 -3.457 9.981 -3.846 1.00 0.00 C ATOM 886 CE LYS A 54 -3.764 8.494 -3.758 1.00 0.00 C ATOM 887 NZ LYS A 54 -4.311 7.964 -5.037 1.00 0.00 N ATOM 0 H LYS A 54 0.586 12.189 -3.489 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.162 12.342 -2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.095 10.260 -3.295 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.409 9.767 -2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.959 11.089 -4.912 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.635 9.370 -4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.655 10.452 -2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.122 10.449 -4.572 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.856 7.950 -3.499 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.481 8.318 -2.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.507 6.948 -4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.192 8.465 -5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.617 8.109 -5.798 1.00 0.00 H new ATOM 901 N LEU A 55 -0.035 11.983 -0.371 1.00 0.00 N ATOM 902 CA LEU A 55 0.114 11.979 1.080 1.00 0.00 C ATOM 903 C LEU A 55 -0.306 13.323 1.668 1.00 0.00 C ATOM 904 O LEU A 55 -1.071 13.380 2.629 1.00 0.00 O ATOM 905 CB LEU A 55 1.565 11.678 1.464 1.00 0.00 C ATOM 906 CG LEU A 55 2.086 10.289 1.064 1.00 0.00 C ATOM 907 CD1 LEU A 55 2.942 9.709 2.175 1.00 0.00 C ATOM 908 CD2 LEU A 55 0.940 9.342 0.737 1.00 0.00 C ATOM 0 H LEU A 55 0.843 12.074 -0.883 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.532 11.201 1.486 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.206 12.432 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.666 11.786 2.544 1.00 0.00 H new ATOM 0 HG LEU A 55 2.695 10.405 0.167 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.305 8.725 1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.790 10.367 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.346 9.618 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.341 8.368 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.298 9.233 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.359 9.746 -0.092 1.00 0.00 H new ATOM 920 N GLY A 56 0.205 14.399 1.078 1.00 0.00 N ATOM 921 CA GLY A 56 -0.117 15.734 1.550 1.00 0.00 C ATOM 922 C GLY A 56 1.106 16.626 1.616 1.00 0.00 C ATOM 923 O GLY A 56 1.045 17.807 1.272 1.00 0.00 O ATOM 0 H GLY A 56 0.838 14.370 0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.857 16.183 0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.571 15.669 2.539 1.00 0.00 H new ATOM 927 N ARG A 57 2.223 16.055 2.059 1.00 0.00 N ATOM 928 CA ARG A 57 3.475 16.795 2.174 1.00 0.00 C ATOM 929 C ARG A 57 4.360 16.556 0.955 1.00 0.00 C ATOM 930 O ARG A 57 4.086 15.676 0.139 1.00 0.00 O ATOM 931 CB ARG A 57 4.216 16.374 3.445 1.00 0.00 C ATOM 932 CG ARG A 57 5.002 17.500 4.099 1.00 0.00 C ATOM 933 CD ARG A 57 4.110 18.686 4.428 1.00 0.00 C ATOM 934 NE ARG A 57 4.553 19.382 5.634 1.00 0.00 N ATOM 935 CZ ARG A 57 3.991 20.497 6.095 1.00 0.00 C ATOM 936 NH1 ARG A 57 2.967 21.046 5.453 1.00 0.00 N ATOM 937 NH2 ARG A 57 4.456 21.065 7.199 1.00 0.00 N ATOM 0 H ARG A 57 2.286 15.078 2.345 1.00 0.00 H new ATOM 0 HA ARG A 57 3.241 17.858 2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.494 15.983 4.162 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.899 15.559 3.203 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.473 17.134 5.011 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.803 17.820 3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.106 19.381 3.588 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.084 18.343 4.563 1.00 0.00 H new ATOM 0 HE ARG A 57 5.339 18.990 6.153 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.607 20.613 4.602 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.540 21.900 5.810 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.244 20.648 7.694 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.026 21.919 7.553 1.00 0.00 H new ATOM 951 N ASP A 58 5.423 17.345 0.836 1.00 0.00 N ATOM 952 CA ASP A 58 6.350 17.216 -0.283 1.00 0.00 C ATOM 953 C ASP A 58 7.524 16.313 0.088 1.00 0.00 C ATOM 954 O ASP A 58 8.142 15.696 -0.779 1.00 0.00 O ATOM 955 CB ASP A 58 6.865 18.591 -0.709 1.00 0.00 C ATOM 956 CG ASP A 58 5.749 19.511 -1.165 1.00 0.00 C ATOM 957 OD1 ASP A 58 4.858 19.042 -1.903 1.00 0.00 O ATOM 958 OD2 ASP A 58 5.768 20.701 -0.784 1.00 0.00 O ATOM 0 H ASP A 58 5.664 18.080 1.501 1.00 0.00 H new ATOM 0 HA ASP A 58 5.814 16.764 -1.117 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.394 19.052 0.125 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.586 18.471 -1.517 1.00 0.00 H new ATOM 963 N THR A 59 7.823 16.241 1.380 1.00 0.00 N ATOM 964 CA THR A 59 8.920 15.412 1.865 1.00 0.00 C ATOM 965 C THR A 59 8.398 14.079 2.392 1.00 0.00 C ATOM 966 O THR A 59 7.215 13.942 2.700 1.00 0.00 O ATOM 967 CB THR A 59 9.692 16.143 2.964 1.00 0.00 C ATOM 968 OG1 THR A 59 10.801 15.374 3.393 1.00 0.00 O ATOM 969 CG2 THR A 59 8.848 16.453 4.183 1.00 0.00 C ATOM 0 H THR A 59 7.321 16.746 2.110 1.00 0.00 H new ATOM 0 HA THR A 59 9.593 15.215 1.030 1.00 0.00 H new ATOM 0 HB THR A 59 10.013 17.083 2.516 1.00 0.00 H new ATOM 0 HG1 THR A 59 11.283 15.859 4.095 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.456 16.972 4.924 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.010 17.087 3.894 1.00 0.00 H new ATOM 0 HG23 THR A 59 8.470 15.524 4.610 1.00 0.00 H new ATOM 977 N GLN A 60 9.292 13.100 2.499 1.00 0.00 N ATOM 978 CA GLN A 60 8.924 11.777 2.992 1.00 0.00 C ATOM 979 C GLN A 60 9.534 11.522 4.364 1.00 0.00 C ATOM 980 O GLN A 60 10.707 11.172 4.482 1.00 0.00 O ATOM 981 CB GLN A 60 9.380 10.696 2.015 1.00 0.00 C ATOM 982 CG GLN A 60 10.883 10.673 1.785 1.00 0.00 C ATOM 983 CD GLN A 60 11.247 10.380 0.343 1.00 0.00 C ATOM 984 OE1 GLN A 60 11.271 9.225 -0.081 1.00 0.00 O ATOM 985 NE2 GLN A 60 11.532 11.429 -0.420 1.00 0.00 N ATOM 0 H GLN A 60 10.276 13.198 2.251 1.00 0.00 H new ATOM 0 HA GLN A 60 7.838 11.741 3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.064 9.723 2.391 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.878 10.847 1.060 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.306 11.635 2.074 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.334 9.919 2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 60 11.500 12.370 -0.027 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.783 11.294 -1.399 1.00 0.00 H new ATOM 994 N ILE A 61 8.722 11.697 5.397 1.00 0.00 N ATOM 995 CA ILE A 61 9.166 11.489 6.769 1.00 0.00 C ATOM 996 C ILE A 61 9.179 10.007 7.124 1.00 0.00 C ATOM 997 O ILE A 61 8.222 9.487 7.699 1.00 0.00 O ATOM 998 CB ILE A 61 8.265 12.235 7.772 1.00 0.00 C ATOM 999 CG1 ILE A 61 8.076 13.690 7.338 1.00 0.00 C ATOM 1000 CG2 ILE A 61 8.859 12.167 9.171 1.00 0.00 C ATOM 1001 CD1 ILE A 61 7.012 14.422 8.126 1.00 0.00 C ATOM 0 H ILE A 61 7.747 11.984 5.310 1.00 0.00 H new ATOM 0 HA ILE A 61 10.179 11.886 6.835 1.00 0.00 H new ATOM 0 HB ILE A 61 7.289 11.751 7.789 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.023 14.218 7.444 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.814 13.714 6.280 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.211 12.699 9.868 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.946 11.125 9.479 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.846 12.629 9.170 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.932 15.447 7.765 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.054 13.917 8.000 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.282 14.429 9.182 1.00 0.00 H new ATOM 1013 N GLY A 62 10.270 9.333 6.782 1.00 0.00 N ATOM 1014 CA GLY A 62 10.389 7.918 7.074 1.00 0.00 C ATOM 1015 C GLY A 62 9.313 7.093 6.396 1.00 0.00 C ATOM 1016 O GLY A 62 8.959 6.014 6.870 1.00 0.00 O ATOM 0 H GLY A 62 11.075 9.742 6.307 1.00 0.00 H new ATOM 0 HA2 GLY A 62 11.369 7.565 6.753 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.333 7.767 8.152 1.00 0.00 H new ATOM 1020 N LEU A 63 8.789 7.603 5.285 1.00 0.00 N ATOM 1021 CA LEU A 63 7.748 6.905 4.540 1.00 0.00 C ATOM 1022 C LEU A 63 8.188 5.487 4.191 1.00 0.00 C ATOM 1023 O LEU A 63 9.256 5.281 3.615 1.00 0.00 O ATOM 1024 CB LEU A 63 7.403 7.678 3.264 1.00 0.00 C ATOM 1025 CG LEU A 63 5.924 7.659 2.878 1.00 0.00 C ATOM 1026 CD1 LEU A 63 5.406 6.232 2.830 1.00 0.00 C ATOM 1027 CD2 LEU A 63 5.108 8.493 3.854 1.00 0.00 C ATOM 0 H LEU A 63 9.069 8.497 4.882 1.00 0.00 H new ATOM 0 HA LEU A 63 6.860 6.844 5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.717 8.714 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.984 7.266 2.439 1.00 0.00 H new ATOM 0 HG LEU A 63 5.820 8.095 1.885 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.352 6.237 2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.972 5.664 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.522 5.770 3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.058 8.468 3.564 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.217 8.086 4.859 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.464 9.523 3.839 1.00 0.00 H new ATOM 1039 N THR A 64 7.360 4.511 4.551 1.00 0.00 N ATOM 1040 CA THR A 64 7.673 3.113 4.283 1.00 0.00 C ATOM 1041 C THR A 64 6.519 2.404 3.581 1.00 0.00 C ATOM 1042 O THR A 64 5.417 2.942 3.464 1.00 0.00 O ATOM 1043 CB THR A 64 8.010 2.389 5.588 1.00 0.00 C ATOM 1044 OG1 THR A 64 6.947 2.509 6.517 1.00 0.00 O ATOM 1045 CG2 THR A 64 9.264 2.910 6.254 1.00 0.00 C ATOM 0 H THR A 64 6.471 4.662 5.027 1.00 0.00 H new ATOM 0 HA THR A 64 8.537 3.089 3.619 1.00 0.00 H new ATOM 0 HB THR A 64 8.173 1.348 5.308 1.00 0.00 H new ATOM 0 HG1 THR A 64 7.181 2.038 7.344 1.00 0.00 H new ATOM 0 HG21 THR A 64 9.446 2.354 7.174 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.112 2.785 5.581 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.139 3.967 6.488 1.00 0.00 H new ATOM 1053 N MET A 65 6.786 1.187 3.120 1.00 0.00 N ATOM 1054 CA MET A 65 5.786 0.385 2.432 1.00 0.00 C ATOM 1055 C MET A 65 5.352 -0.792 3.299 1.00 0.00 C ATOM 1056 O MET A 65 6.083 -1.210 4.196 1.00 0.00 O ATOM 1057 CB MET A 65 6.346 -0.121 1.101 1.00 0.00 C ATOM 1058 CG MET A 65 6.651 0.991 0.109 1.00 0.00 C ATOM 1059 SD MET A 65 8.396 1.443 0.089 1.00 0.00 S ATOM 1060 CE MET A 65 8.289 3.221 0.274 1.00 0.00 C ATOM 0 H MET A 65 7.695 0.733 3.212 1.00 0.00 H new ATOM 0 HA MET A 65 4.914 1.010 2.237 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.258 -0.687 1.291 1.00 0.00 H new ATOM 0 HB3 MET A 65 5.630 -0.810 0.653 1.00 0.00 H new ATOM 0 HG2 MET A 65 6.350 0.675 -0.890 1.00 0.00 H new ATOM 0 HG3 MET A 65 6.055 1.869 0.358 1.00 0.00 H new ATOM 0 HE1 MET A 65 9.292 3.647 0.279 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.721 3.640 -0.557 1.00 0.00 H new ATOM 0 HE3 MET A 65 7.788 3.460 1.212 1.00 0.00 H new ATOM 1070 N PRO A 66 4.150 -1.343 3.050 1.00 0.00 N ATOM 1071 CA PRO A 66 3.237 -0.893 2.001 1.00 0.00 C ATOM 1072 C PRO A 66 2.322 0.242 2.455 1.00 0.00 C ATOM 1073 O PRO A 66 1.952 0.326 3.627 1.00 0.00 O ATOM 1074 CB PRO A 66 2.402 -2.149 1.700 1.00 0.00 C ATOM 1075 CG PRO A 66 2.868 -3.195 2.666 1.00 0.00 C ATOM 1076 CD PRO A 66 3.577 -2.471 3.771 1.00 0.00 C ATOM 0 HA PRO A 66 3.779 -0.494 1.143 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.338 -1.949 1.824 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.547 -2.476 0.670 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.025 -3.766 3.055 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.535 -3.905 2.177 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.894 -2.152 4.558 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.341 -3.088 4.243 1.00 0.00 H new ATOM 1084 N GLN A 67 1.942 1.098 1.512 1.00 0.00 N ATOM 1085 CA GLN A 67 1.051 2.212 1.802 1.00 0.00 C ATOM 1086 C GLN A 67 -0.226 2.087 0.976 1.00 0.00 C ATOM 1087 O GLN A 67 -0.188 2.126 -0.251 1.00 0.00 O ATOM 1088 CB GLN A 67 1.745 3.546 1.517 1.00 0.00 C ATOM 1089 CG GLN A 67 2.836 3.890 2.519 1.00 0.00 C ATOM 1090 CD GLN A 67 2.552 5.172 3.277 1.00 0.00 C ATOM 1091 OE1 GLN A 67 2.474 5.177 4.505 1.00 0.00 O ATOM 1092 NE2 GLN A 67 2.397 6.269 2.545 1.00 0.00 N ATOM 0 H GLN A 67 2.239 1.040 0.538 1.00 0.00 H new ATOM 0 HA GLN A 67 0.790 2.184 2.860 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.178 3.515 0.517 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.000 4.341 1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.944 3.070 3.229 1.00 0.00 H new ATOM 0 HG3 GLN A 67 3.787 3.986 1.996 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.470 6.219 1.529 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.205 7.162 2.999 1.00 0.00 H new ATOM 1101 N VAL A 68 -1.351 1.904 1.656 1.00 0.00 N ATOM 1102 CA VAL A 68 -2.631 1.739 0.976 1.00 0.00 C ATOM 1103 C VAL A 68 -3.358 3.067 0.783 1.00 0.00 C ATOM 1104 O VAL A 68 -3.012 4.078 1.393 1.00 0.00 O ATOM 1105 CB VAL A 68 -3.551 0.765 1.743 1.00 0.00 C ATOM 1106 CG1 VAL A 68 -4.659 0.243 0.841 1.00 0.00 C ATOM 1107 CG2 VAL A 68 -2.746 -0.390 2.326 1.00 0.00 C ATOM 0 H VAL A 68 -1.404 1.866 2.674 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.402 1.325 -0.006 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.011 1.312 2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.294 -0.441 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.258 1.079 0.479 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.220 -0.283 -0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.413 -1.064 2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.253 -0.933 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.995 0.000 3.013 1.00 0.00 H new ATOM 1117 N PHE A 69 -4.378 3.046 -0.075 1.00 0.00 N ATOM 1118 CA PHE A 69 -5.172 4.234 -0.368 1.00 0.00 C ATOM 1119 C PHE A 69 -6.641 3.856 -0.538 1.00 0.00 C ATOM 1120 O PHE A 69 -6.969 2.880 -1.214 1.00 0.00 O ATOM 1121 CB PHE A 69 -4.656 4.910 -1.638 1.00 0.00 C ATOM 1122 CG PHE A 69 -3.463 5.790 -1.409 1.00 0.00 C ATOM 1123 CD1 PHE A 69 -3.626 7.096 -0.980 1.00 0.00 C ATOM 1124 CD2 PHE A 69 -2.179 5.313 -1.626 1.00 0.00 C ATOM 1125 CE1 PHE A 69 -2.531 7.912 -0.769 1.00 0.00 C ATOM 1126 CE2 PHE A 69 -1.080 6.126 -1.419 1.00 0.00 C ATOM 1127 CZ PHE A 69 -1.257 7.426 -0.990 1.00 0.00 C ATOM 0 H PHE A 69 -4.674 2.211 -0.581 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.082 4.931 0.465 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -4.396 4.143 -2.368 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -5.458 5.506 -2.074 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.620 7.481 -0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.036 4.296 -1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.671 8.928 -0.432 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.085 5.745 -1.593 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.400 8.063 -0.827 1.00 0.00 H new ATOM 1137 N ALA A 70 -7.521 4.620 0.101 1.00 0.00 N ATOM 1138 CA ALA A 70 -8.957 4.352 0.047 1.00 0.00 C ATOM 1139 C ALA A 70 -9.565 4.691 -1.316 1.00 0.00 C ATOM 1140 O ALA A 70 -9.252 5.726 -1.905 1.00 0.00 O ATOM 1141 CB ALA A 70 -9.672 5.120 1.147 1.00 0.00 C ATOM 0 H ALA A 70 -7.266 5.432 0.664 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.092 3.281 0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.741 4.914 1.099 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.286 4.809 2.118 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.502 6.188 1.014 1.00 0.00 H new ATOM 1147 N PRO A 71 -10.464 3.816 -1.820 1.00 0.00 N ATOM 1148 CA PRO A 71 -11.151 4.000 -3.103 1.00 0.00 C ATOM 1149 C PRO A 71 -11.458 5.461 -3.416 1.00 0.00 C ATOM 1150 O PRO A 71 -11.057 5.980 -4.458 1.00 0.00 O ATOM 1151 CB PRO A 71 -12.441 3.217 -2.873 1.00 0.00 C ATOM 1152 CG PRO A 71 -12.018 2.062 -2.034 1.00 0.00 C ATOM 1153 CD PRO A 71 -10.898 2.568 -1.157 1.00 0.00 C ATOM 0 HA PRO A 71 -10.553 3.669 -3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -13.191 3.824 -2.367 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -12.880 2.887 -3.814 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -12.848 1.693 -1.432 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -11.682 1.232 -2.655 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -11.241 2.755 -0.139 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.084 1.846 -1.092 1.00 0.00 H new ATOM 1161 N ASP A 72 -12.169 6.118 -2.507 1.00 0.00 N ATOM 1162 CA ASP A 72 -12.529 7.519 -2.682 1.00 0.00 C ATOM 1163 C ASP A 72 -12.418 8.270 -1.362 1.00 0.00 C ATOM 1164 O ASP A 72 -13.136 9.241 -1.125 1.00 0.00 O ATOM 1165 CB ASP A 72 -13.950 7.638 -3.235 1.00 0.00 C ATOM 1166 CG ASP A 72 -14.942 6.785 -2.468 1.00 0.00 C ATOM 1167 OD1 ASP A 72 -14.743 6.593 -1.250 1.00 0.00 O ATOM 1168 OD2 ASP A 72 -15.918 6.308 -3.085 1.00 0.00 O ATOM 0 H ASP A 72 -12.508 5.701 -1.640 1.00 0.00 H new ATOM 0 HA ASP A 72 -11.835 7.964 -3.395 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -14.266 8.681 -3.197 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.955 7.342 -4.284 1.00 0.00 H new ATOM 1173 N GLY A 73 -11.513 7.810 -0.502 1.00 0.00 N ATOM 1174 CA GLY A 73 -11.319 8.446 0.790 1.00 0.00 C ATOM 1175 C GLY A 73 -9.994 9.174 0.886 1.00 0.00 C ATOM 1176 O GLY A 73 -9.909 10.367 0.595 1.00 0.00 O ATOM 0 H GLY A 73 -10.909 7.007 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -12.131 9.151 0.970 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.373 7.691 1.574 1.00 0.00 H new ATOM 1180 N SER A 74 -8.960 8.448 1.294 1.00 0.00 N ATOM 1181 CA SER A 74 -7.626 9.020 1.434 1.00 0.00 C ATOM 1182 C SER A 74 -6.628 7.952 1.855 1.00 0.00 C ATOM 1183 O SER A 74 -6.999 6.808 2.115 1.00 0.00 O ATOM 1184 CB SER A 74 -7.638 10.159 2.456 1.00 0.00 C ATOM 1185 OG SER A 74 -6.659 11.134 2.146 1.00 0.00 O ATOM 0 H SER A 74 -9.020 7.459 1.534 1.00 0.00 H new ATOM 0 HA SER A 74 -7.322 9.419 0.466 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.624 10.623 2.476 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.454 9.759 3.453 1.00 0.00 H new ATOM 0 HG SER A 74 -6.689 11.851 2.813 1.00 0.00 H new ATOM 1191 N HIS A 75 -5.359 8.336 1.924 1.00 0.00 N ATOM 1192 CA HIS A 75 -4.300 7.415 2.315 1.00 0.00 C ATOM 1193 C HIS A 75 -4.670 6.683 3.604 1.00 0.00 C ATOM 1194 O HIS A 75 -4.702 7.279 4.680 1.00 0.00 O ATOM 1195 CB HIS A 75 -2.994 8.184 2.500 1.00 0.00 C ATOM 1196 CG HIS A 75 -1.830 7.316 2.862 1.00 0.00 C ATOM 1197 ND1 HIS A 75 -1.052 7.502 3.983 1.00 0.00 N ATOM 1198 CD2 HIS A 75 -1.308 6.242 2.218 1.00 0.00 C ATOM 1199 CE1 HIS A 75 -0.104 6.555 3.986 1.00 0.00 C ATOM 1200 NE2 HIS A 75 -0.215 5.764 2.936 1.00 0.00 N ATOM 0 H HIS A 75 -5.038 9.281 1.714 1.00 0.00 H new ATOM 0 HA HIS A 75 -4.171 6.672 1.527 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.764 8.719 1.578 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -3.132 8.935 3.278 1.00 0.00 H new ATOM 0 HD1 HIS A 75 -1.175 8.231 4.686 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.681 5.824 1.295 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.653 6.453 4.749 1.00 0.00 H new ATOM 1208 N ILE A 76 -4.959 5.392 3.483 1.00 0.00 N ATOM 1209 CA ILE A 76 -5.341 4.582 4.635 1.00 0.00 C ATOM 1210 C ILE A 76 -4.141 4.274 5.524 1.00 0.00 C ATOM 1211 O ILE A 76 -4.201 4.443 6.741 1.00 0.00 O ATOM 1212 CB ILE A 76 -5.999 3.258 4.198 1.00 0.00 C ATOM 1213 CG1 ILE A 76 -7.148 3.527 3.225 1.00 0.00 C ATOM 1214 CG2 ILE A 76 -6.496 2.485 5.412 1.00 0.00 C ATOM 1215 CD1 ILE A 76 -7.415 2.381 2.274 1.00 0.00 C ATOM 0 H ILE A 76 -4.936 4.884 2.599 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.063 5.169 5.203 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.251 2.652 3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.054 3.735 3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -6.922 4.423 2.647 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.958 1.553 5.086 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.656 2.263 6.071 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.230 3.085 5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.242 2.641 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -6.523 2.187 1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.673 1.488 2.844 1.00 0.00 H new ATOM 1227 N GLY A 77 -3.055 3.816 4.912 1.00 0.00 N ATOM 1228 CA GLY A 77 -1.863 3.489 5.673 1.00 0.00 C ATOM 1229 C GLY A 77 -1.339 2.102 5.366 1.00 0.00 C ATOM 1230 O GLY A 77 -1.565 1.569 4.281 1.00 0.00 O ATOM 0 H GLY A 77 -2.978 3.666 3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.086 4.223 5.458 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.085 3.562 6.738 1.00 0.00 H new ATOM 1234 N GLY A 78 -0.632 1.522 6.326 1.00 0.00 N ATOM 1235 CA GLY A 78 -0.076 0.193 6.143 1.00 0.00 C ATOM 1236 C GLY A 78 -1.092 -0.904 6.397 1.00 0.00 C ATOM 1237 O GLY A 78 -2.288 -0.714 6.174 1.00 0.00 O ATOM 0 H GLY A 78 -0.432 1.948 7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 78 0.307 0.100 5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.771 0.062 6.816 1.00 0.00 H new ATOM 1241 N PHE A 79 -0.616 -2.054 6.864 1.00 0.00 N ATOM 1242 CA PHE A 79 -1.494 -3.184 7.148 1.00 0.00 C ATOM 1243 C PHE A 79 -2.332 -2.918 8.395 1.00 0.00 C ATOM 1244 O PHE A 79 -3.560 -3.007 8.360 1.00 0.00 O ATOM 1245 CB PHE A 79 -0.674 -4.463 7.331 1.00 0.00 C ATOM 1246 CG PHE A 79 -1.511 -5.679 7.616 1.00 0.00 C ATOM 1247 CD1 PHE A 79 -2.499 -6.082 6.729 1.00 0.00 C ATOM 1248 CD2 PHE A 79 -1.313 -6.417 8.773 1.00 0.00 C ATOM 1249 CE1 PHE A 79 -3.271 -7.198 6.991 1.00 0.00 C ATOM 1250 CE2 PHE A 79 -2.083 -7.534 9.039 1.00 0.00 C ATOM 1251 CZ PHE A 79 -3.063 -7.925 8.147 1.00 0.00 C ATOM 0 H PHE A 79 0.371 -2.228 7.054 1.00 0.00 H new ATOM 0 HA PHE A 79 -2.166 -3.313 6.300 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -0.086 -4.640 6.430 1.00 0.00 H new ATOM 0 HB3 PHE A 79 0.032 -4.318 8.149 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -2.667 -5.517 5.824 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -0.549 -6.116 9.474 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.037 -7.502 6.292 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -1.919 -8.101 9.944 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.665 -8.797 8.353 1.00 0.00 H new ATOM 1261 N ASP A 80 -1.663 -2.585 9.495 1.00 0.00 N ATOM 1262 CA ASP A 80 -2.349 -2.302 10.753 1.00 0.00 C ATOM 1263 C ASP A 80 -3.403 -1.217 10.564 1.00 0.00 C ATOM 1264 O ASP A 80 -4.525 -1.334 11.056 1.00 0.00 O ATOM 1265 CB ASP A 80 -1.343 -1.869 11.822 1.00 0.00 C ATOM 1266 CG ASP A 80 -1.896 -2.009 13.226 1.00 0.00 C ATOM 1267 OD1 ASP A 80 -2.957 -1.412 13.508 1.00 0.00 O ATOM 1268 OD2 ASP A 80 -1.270 -2.716 14.043 1.00 0.00 O ATOM 0 H ASP A 80 -0.647 -2.504 9.541 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.846 -3.215 11.080 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.438 -2.469 11.729 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.057 -0.832 11.649 1.00 0.00 H new ATOM 1273 N GLN A 81 -3.033 -0.163 9.844 1.00 0.00 N ATOM 1274 CA GLN A 81 -3.946 0.944 9.582 1.00 0.00 C ATOM 1275 C GLN A 81 -5.195 0.452 8.863 1.00 0.00 C ATOM 1276 O GLN A 81 -6.317 0.815 9.220 1.00 0.00 O ATOM 1277 CB GLN A 81 -3.251 2.013 8.739 1.00 0.00 C ATOM 1278 CG GLN A 81 -2.579 3.099 9.560 1.00 0.00 C ATOM 1279 CD GLN A 81 -1.332 2.608 10.268 1.00 0.00 C ATOM 1280 OE1 GLN A 81 -0.739 1.601 9.881 1.00 0.00 O ATOM 1281 NE2 GLN A 81 -0.924 3.321 11.311 1.00 0.00 N ATOM 0 H GLN A 81 -2.107 -0.052 9.431 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.241 1.377 10.538 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.504 1.534 8.106 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.984 2.473 8.076 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.318 3.933 8.908 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.285 3.480 10.298 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -1.446 4.149 11.598 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.089 3.040 11.825 1.00 0.00 H new ATOM 1290 N LEU A 82 -4.990 -0.380 7.849 1.00 0.00 N ATOM 1291 CA LEU A 82 -6.095 -0.927 7.073 1.00 0.00 C ATOM 1292 C LEU A 82 -7.022 -1.770 7.936 1.00 0.00 C ATOM 1293 O LEU A 82 -8.237 -1.574 7.917 1.00 0.00 O ATOM 1294 CB LEU A 82 -5.579 -1.740 5.908 1.00 0.00 C ATOM 1295 CG LEU A 82 -6.618 -1.932 4.815 1.00 0.00 C ATOM 1296 CD1 LEU A 82 -6.273 -1.122 3.581 1.00 0.00 C ATOM 1297 CD2 LEU A 82 -6.752 -3.394 4.493 1.00 0.00 C ATOM 0 H LEU A 82 -4.067 -0.691 7.545 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.671 -0.086 6.687 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.703 -1.247 5.487 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.253 -2.716 6.268 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.579 -1.567 5.177 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.034 -1.280 2.817 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.233 -0.064 3.840 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.303 -1.439 3.197 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -7.498 -3.527 3.709 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.792 -3.781 4.150 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.063 -3.936 5.386 1.00 0.00 H new ATOM 1309 N ARG A 83 -6.460 -2.694 8.708 1.00 0.00 N ATOM 1310 CA ARG A 83 -7.271 -3.534 9.585 1.00 0.00 C ATOM 1311 C ARG A 83 -8.190 -2.655 10.425 1.00 0.00 C ATOM 1312 O ARG A 83 -9.304 -3.048 10.770 1.00 0.00 O ATOM 1313 CB ARG A 83 -6.378 -4.387 10.490 1.00 0.00 C ATOM 1314 CG ARG A 83 -6.794 -5.848 10.553 1.00 0.00 C ATOM 1315 CD ARG A 83 -5.792 -6.677 11.342 1.00 0.00 C ATOM 1316 NE ARG A 83 -6.057 -6.633 12.778 1.00 0.00 N ATOM 1317 CZ ARG A 83 -5.157 -6.947 13.708 1.00 0.00 C ATOM 1318 NH1 ARG A 83 -3.935 -7.327 13.357 1.00 0.00 N ATOM 1319 NH2 ARG A 83 -5.480 -6.879 14.992 1.00 0.00 N ATOM 0 H ARG A 83 -5.458 -2.880 8.746 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.875 -4.205 8.974 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.350 -4.326 10.134 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -6.392 -3.970 11.497 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.778 -5.928 11.015 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.883 -6.247 9.542 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.826 -7.711 10.998 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.784 -6.310 11.148 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.986 -6.345 13.086 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.681 -7.380 12.371 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.250 -7.566 14.074 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.418 -6.586 15.267 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.791 -7.119 15.705 1.00 0.00 H new ATOM 1333 N GLU A 84 -7.719 -1.445 10.721 1.00 0.00 N ATOM 1334 CA GLU A 84 -8.503 -0.488 11.486 1.00 0.00 C ATOM 1335 C GLU A 84 -9.585 0.100 10.592 1.00 0.00 C ATOM 1336 O GLU A 84 -10.701 0.369 11.037 1.00 0.00 O ATOM 1337 CB GLU A 84 -7.608 0.625 12.038 1.00 0.00 C ATOM 1338 CG GLU A 84 -7.166 0.395 13.473 1.00 0.00 C ATOM 1339 CD GLU A 84 -7.154 1.671 14.292 1.00 0.00 C ATOM 1340 OE1 GLU A 84 -6.146 2.406 14.229 1.00 0.00 O ATOM 1341 OE2 GLU A 84 -8.152 1.936 14.993 1.00 0.00 O ATOM 0 H GLU A 84 -6.798 -1.108 10.441 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.966 -0.999 12.330 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.725 0.717 11.405 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.143 1.573 11.979 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.833 -0.328 13.943 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.168 -0.043 13.476 1.00 0.00 H new ATOM 1348 N TYR A 85 -9.249 0.263 9.314 1.00 0.00 N ATOM 1349 CA TYR A 85 -10.190 0.780 8.335 1.00 0.00 C ATOM 1350 C TYR A 85 -11.332 -0.214 8.161 1.00 0.00 C ATOM 1351 O TYR A 85 -12.478 0.166 7.925 1.00 0.00 O ATOM 1352 CB TYR A 85 -9.470 1.004 7.003 1.00 0.00 C ATOM 1353 CG TYR A 85 -10.279 1.761 5.975 1.00 0.00 C ATOM 1354 CD1 TYR A 85 -11.420 1.206 5.412 1.00 0.00 C ATOM 1355 CD2 TYR A 85 -9.891 3.026 5.558 1.00 0.00 C ATOM 1356 CE1 TYR A 85 -12.154 1.893 4.465 1.00 0.00 C ATOM 1357 CE2 TYR A 85 -10.617 3.720 4.611 1.00 0.00 C ATOM 1358 CZ TYR A 85 -11.748 3.149 4.066 1.00 0.00 C ATOM 1359 OH TYR A 85 -12.474 3.836 3.122 1.00 0.00 O ATOM 0 H TYR A 85 -8.328 0.042 8.936 1.00 0.00 H new ATOM 0 HA TYR A 85 -10.597 1.731 8.678 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -8.544 1.548 7.191 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -9.192 0.036 6.587 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -11.739 0.221 5.719 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -9.005 3.476 5.982 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -13.041 1.449 4.039 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -10.301 4.704 4.299 1.00 0.00 H new ATOM 0 HH TYR A 85 -12.053 4.705 2.954 1.00 0.00 H new ATOM 1369 N PHE A 86 -10.994 -1.495 8.299 1.00 0.00 N ATOM 1370 CA PHE A 86 -11.962 -2.580 8.170 1.00 0.00 C ATOM 1371 C PHE A 86 -12.571 -2.946 9.523 1.00 0.00 C ATOM 1372 O PHE A 86 -13.674 -3.485 9.589 1.00 0.00 O ATOM 1373 CB PHE A 86 -11.274 -3.802 7.553 1.00 0.00 C ATOM 1374 CG PHE A 86 -11.157 -3.717 6.060 1.00 0.00 C ATOM 1375 CD1 PHE A 86 -12.246 -3.351 5.285 1.00 0.00 C ATOM 1376 CD2 PHE A 86 -9.953 -3.980 5.431 1.00 0.00 C ATOM 1377 CE1 PHE A 86 -12.132 -3.245 3.913 1.00 0.00 C ATOM 1378 CE2 PHE A 86 -9.836 -3.881 4.059 1.00 0.00 C ATOM 1379 CZ PHE A 86 -10.925 -3.513 3.299 1.00 0.00 C ATOM 0 H PHE A 86 -10.045 -1.808 8.503 1.00 0.00 H new ATOM 0 HA PHE A 86 -12.772 -2.246 7.522 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -10.279 -3.908 7.984 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -11.833 -4.699 7.818 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -13.194 -3.146 5.759 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -9.094 -4.266 6.020 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -12.986 -2.953 3.321 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -8.891 -4.092 3.581 1.00 0.00 H new ATOM 0 HZ PHE A 86 -10.834 -3.434 2.226 1.00 0.00 H new ATOM 1389 N LYS A 87 -11.842 -2.648 10.598 1.00 0.00 N ATOM 1390 CA LYS A 87 -12.304 -2.943 11.955 1.00 0.00 C ATOM 1391 C LYS A 87 -12.880 -4.355 12.051 1.00 0.00 C ATOM 1392 O LYS A 87 -13.614 -4.628 13.025 1.00 0.00 O ATOM 1393 CB LYS A 87 -13.349 -1.916 12.399 1.00 0.00 C ATOM 1394 CG LYS A 87 -14.664 -2.003 11.639 1.00 0.00 C ATOM 1395 CD LYS A 87 -15.813 -1.422 12.447 1.00 0.00 C ATOM 1396 CE LYS A 87 -17.143 -2.040 12.048 1.00 0.00 C ATOM 1397 NZ LYS A 87 -18.025 -2.268 13.227 1.00 0.00 N ATOM 1398 OXT LYS A 87 -12.593 -5.173 11.152 1.00 0.00 O ATOM 0 H LYS A 87 -10.926 -2.201 10.556 1.00 0.00 H new ATOM 0 HA LYS A 87 -11.443 -2.883 12.620 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -13.546 -2.050 13.463 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -12.935 -0.915 12.275 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.575 -1.468 10.694 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.878 -3.044 11.397 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.635 -1.593 13.509 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.853 -0.343 12.300 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.649 -1.386 11.337 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -16.965 -2.987 11.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.922 -2.690 12.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.554 -2.912 13.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.216 -1.361 13.698 1.00 0.00 H new