USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 706 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 65 MET CE :methyl -142:sc= -0.354 (180deg=-1.25) USER MOD Set 1.2: A 67 GLN : amide:sc= -5.2! C(o=-5.6!,f=-6.8!) USER MOD Set 2.1: A 17 CYS SG : rot 120:sc= -1.28 USER MOD Set 2.2: A 21 LYS NZ :NH3+ -134:sc= -1.24 (180deg=-0.187) USER MOD Set 3.1: A 7 TYR OH : rot 180:sc= -0.0218 USER MOD Set 3.2: A 12 HIS :FLIP no HD1:sc= -15.6! C(o=-28!,f=-27!) USER MOD Set 3.3: A 37 MET CE :methyl 143:sc= -10.9! (180deg=-14.2!) USER MOD Set 4.1: A 9 SER OG : rot 180:sc= -0.743 USER MOD Set 4.2: A 35 ASN : amide:sc= 0.053 X(o=-0.69,f=-0.8) USER MOD Single : A 1 MET CE :methyl -114:sc= -1.23 (180deg=-5.78!) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.119 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.21) USER MOD Single : A 5 TYR OH : rot 180:sc= -2.07 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 56:sc= -0.301 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 ASN :FLIP amide:sc= -0.185 F(o=-0.73,f=-0.18) USER MOD Single : A 25 THR OG1 : rot 84:sc= 1.25 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 148:sc= 0.128 (180deg=0.000993) USER MOD Single : A 29 GLN :FLIP amide:sc= -3.39! F(o=-4.7,f=-3.4!) 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= -0.353 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 74 SER OG : rot 180:sc=-0.00288 USER MOD Single : A 75 HIS :FLIP no HE2:sc= -2.42 F(o=-6.4!,f=-2.4) USER MOD Single : A 81 GLN : amide:sc= -0.0115 X(o=-0.011,f=0) 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 1.835 -1.816 11.873 1.00 0.00 N ATOM 2 CA MET A 1 2.657 -2.580 10.901 1.00 0.00 C ATOM 3 C MET A 1 2.579 -1.952 9.515 1.00 0.00 C ATOM 4 O MET A 1 1.862 -0.971 9.315 1.00 0.00 O ATOM 5 CB MET A 1 2.225 -4.040 10.901 1.00 0.00 C ATOM 6 CG MET A 1 3.310 -4.987 10.401 1.00 0.00 C ATOM 7 SD MET A 1 4.951 -4.646 11.077 1.00 0.00 S ATOM 8 CE MET A 1 5.745 -6.235 10.856 1.00 0.00 C ATOM 0 H1 MET A 1 2.440 -1.476 12.647 1.00 0.00 H new ATOM 0 H2 MET A 1 1.396 -1.004 11.394 1.00 0.00 H new ATOM 0 H3 MET A 1 1.092 -2.433 12.260 1.00 0.00 H new ATOM 0 HA MET A 1 3.704 -2.542 11.201 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.939 -4.328 11.913 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.339 -4.150 10.276 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.030 -6.010 10.653 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.357 -4.928 9.314 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.962 -6.672 11.831 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.083 -6.899 10.300 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.675 -6.103 10.302 1.00 0.00 H new ATOM 20 N PHE A 2 3.348 -2.490 8.568 1.00 0.00 N ATOM 21 CA PHE A 2 3.401 -1.939 7.216 1.00 0.00 C ATOM 22 C PHE A 2 2.030 -1.507 6.735 1.00 0.00 C ATOM 23 O PHE A 2 1.099 -2.299 6.645 1.00 0.00 O ATOM 24 CB PHE A 2 3.979 -2.952 6.243 1.00 0.00 C ATOM 25 CG PHE A 2 5.355 -3.420 6.612 1.00 0.00 C ATOM 26 CD1 PHE A 2 6.463 -2.685 6.236 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.541 -4.589 7.330 1.00 0.00 C ATOM 28 CE1 PHE A 2 7.736 -3.101 6.567 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.813 -5.015 7.665 1.00 0.00 C ATOM 30 CZ PHE A 2 7.912 -4.269 7.282 1.00 0.00 C ATOM 0 H PHE A 2 3.942 -3.306 8.713 1.00 0.00 H new ATOM 0 HA PHE A 2 4.048 -1.062 7.254 1.00 0.00 H new ATOM 0 HB2 PHE A 2 3.313 -3.813 6.190 1.00 0.00 H new ATOM 0 HB3 PHE A 2 4.009 -2.511 5.247 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.331 -1.772 5.675 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.684 -5.174 7.631 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.592 -2.515 6.268 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.948 -5.929 8.225 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.907 -4.599 7.542 1.00 0.00 H new ATOM 40 N LYS A 3 1.935 -0.229 6.438 1.00 0.00 N ATOM 41 CA LYS A 3 0.695 0.367 5.980 1.00 0.00 C ATOM 42 C LYS A 3 0.574 0.295 4.469 1.00 0.00 C ATOM 43 O LYS A 3 1.461 0.734 3.744 1.00 0.00 O ATOM 44 CB LYS A 3 0.624 1.821 6.435 1.00 0.00 C ATOM 45 CG LYS A 3 0.092 1.987 7.847 1.00 0.00 C ATOM 46 CD LYS A 3 1.213 1.889 8.873 1.00 0.00 C ATOM 47 CE LYS A 3 1.426 3.207 9.601 1.00 0.00 C ATOM 48 NZ LYS A 3 1.351 3.043 11.079 1.00 0.00 N ATOM 0 H LYS A 3 2.713 0.427 6.507 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.133 -0.195 6.413 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.619 2.261 6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.012 2.378 5.747 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.406 2.952 7.940 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.657 1.221 8.049 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.977 1.108 9.596 1.00 0.00 H new ATOM 0 HD3 LYS A 3 2.137 1.595 8.375 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.398 3.618 9.330 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.674 3.926 9.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.451 3.972 11.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.433 2.627 11.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.117 2.416 11.398 1.00 0.00 H new ATOM 62 N VAL A 4 -0.533 -0.254 3.994 1.00 0.00 N ATOM 63 CA VAL A 4 -0.758 -0.363 2.564 1.00 0.00 C ATOM 64 C VAL A 4 -1.851 0.591 2.105 1.00 0.00 C ATOM 65 O VAL A 4 -2.802 0.873 2.832 1.00 0.00 O ATOM 66 CB VAL A 4 -1.139 -1.796 2.139 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.580 -1.819 0.683 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.022 -2.749 2.343 1.00 0.00 C ATOM 0 H VAL A 4 -1.284 -0.628 4.574 1.00 0.00 H new ATOM 0 HA VAL A 4 0.186 -0.098 2.089 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.968 -2.123 2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.845 -2.837 0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.446 -1.169 0.555 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.765 -1.467 0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -0.273 -3.752 2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.872 -2.421 1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.303 -2.760 3.396 1.00 0.00 H new ATOM 78 N TYR A 5 -1.707 1.061 0.877 1.00 0.00 N ATOM 79 CA TYR A 5 -2.674 1.959 0.271 1.00 0.00 C ATOM 80 C TYR A 5 -3.082 1.397 -1.080 1.00 0.00 C ATOM 81 O TYR A 5 -2.350 1.534 -2.057 1.00 0.00 O ATOM 82 CB TYR A 5 -2.077 3.355 0.088 1.00 0.00 C ATOM 83 CG TYR A 5 -1.889 4.128 1.373 1.00 0.00 C ATOM 84 CD1 TYR A 5 -0.856 3.823 2.249 1.00 0.00 C ATOM 85 CD2 TYR A 5 -2.734 5.183 1.697 1.00 0.00 C ATOM 86 CE1 TYR A 5 -0.669 4.547 3.412 1.00 0.00 C ATOM 87 CE2 TYR A 5 -2.556 5.909 2.860 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.523 5.587 3.713 1.00 0.00 C ATOM 89 OH TYR A 5 -1.340 6.310 4.870 1.00 0.00 O ATOM 0 H TYR A 5 -0.918 0.831 0.274 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.543 2.042 0.924 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.112 3.262 -0.410 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.724 3.929 -0.576 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.187 3.007 2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.543 5.440 1.029 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.142 4.299 4.081 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.223 6.724 3.099 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.026 7.008 4.932 1.00 0.00 H new ATOM 99 N GLY A 6 -4.233 0.741 -1.131 1.00 0.00 N ATOM 100 CA GLY A 6 -4.682 0.155 -2.375 1.00 0.00 C ATOM 101 C GLY A 6 -6.179 -0.065 -2.411 1.00 0.00 C ATOM 102 O GLY A 6 -6.955 0.804 -2.006 1.00 0.00 O ATOM 0 H GLY A 6 -4.860 0.605 -0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.394 0.804 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.175 -0.798 -2.527 1.00 0.00 H new ATOM 106 N TYR A 7 -6.586 -1.222 -2.920 1.00 0.00 N ATOM 107 CA TYR A 7 -7.986 -1.557 -3.035 1.00 0.00 C ATOM 108 C TYR A 7 -8.317 -2.833 -2.268 1.00 0.00 C ATOM 109 O TYR A 7 -7.943 -3.930 -2.683 1.00 0.00 O ATOM 110 CB TYR A 7 -8.323 -1.718 -4.506 1.00 0.00 C ATOM 111 CG TYR A 7 -7.894 -0.521 -5.317 1.00 0.00 C ATOM 112 CD1 TYR A 7 -8.660 0.634 -5.335 1.00 0.00 C ATOM 113 CD2 TYR A 7 -6.688 -0.520 -6.004 1.00 0.00 C ATOM 114 CE1 TYR A 7 -8.244 1.748 -6.013 1.00 0.00 C ATOM 115 CE2 TYR A 7 -6.271 0.595 -6.703 1.00 0.00 C ATOM 116 CZ TYR A 7 -7.051 1.730 -6.701 1.00 0.00 C ATOM 117 OH TYR A 7 -6.634 2.849 -7.382 1.00 0.00 O ATOM 0 H TYR A 7 -5.953 -1.946 -3.261 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.584 -0.756 -2.599 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.836 -2.613 -4.894 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.397 -1.866 -4.618 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -9.601 0.655 -4.805 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.067 -1.404 -5.992 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.851 2.641 -6.008 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -5.339 0.577 -7.248 1.00 0.00 H new ATOM 0 HH TYR A 7 -5.772 2.668 -7.812 1.00 0.00 H new ATOM 127 N ASP A 8 -9.021 -2.689 -1.148 1.00 0.00 N ATOM 128 CA ASP A 8 -9.394 -3.844 -0.342 1.00 0.00 C ATOM 129 C ASP A 8 -10.902 -4.091 -0.403 1.00 0.00 C ATOM 130 O ASP A 8 -11.558 -4.223 0.629 1.00 0.00 O ATOM 131 CB ASP A 8 -8.949 -3.654 1.113 1.00 0.00 C ATOM 132 CG ASP A 8 -7.844 -4.619 1.505 1.00 0.00 C ATOM 133 OD1 ASP A 8 -6.883 -4.770 0.722 1.00 0.00 O ATOM 134 OD2 ASP A 8 -7.942 -5.226 2.592 1.00 0.00 O ATOM 0 H ASP A 8 -9.341 -1.792 -0.782 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.886 -4.716 -0.753 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.602 -2.630 1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.804 -3.795 1.774 1.00 0.00 H new ATOM 139 N SER A 9 -11.459 -4.150 -1.616 1.00 0.00 N ATOM 140 CA SER A 9 -12.894 -4.378 -1.772 1.00 0.00 C ATOM 141 C SER A 9 -13.289 -4.692 -3.220 1.00 0.00 C ATOM 142 O SER A 9 -12.441 -4.919 -4.080 1.00 0.00 O ATOM 143 CB SER A 9 -13.676 -3.159 -1.274 1.00 0.00 C ATOM 144 OG SER A 9 -12.806 -2.174 -0.742 1.00 0.00 O ATOM 0 H SER A 9 -10.945 -4.045 -2.491 1.00 0.00 H new ATOM 0 HA SER A 9 -13.144 -5.253 -1.172 1.00 0.00 H new ATOM 0 HB2 SER A 9 -14.253 -2.733 -2.095 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.389 -3.469 -0.510 1.00 0.00 H new ATOM 0 HG SER A 9 -13.331 -1.406 -0.433 1.00 0.00 H new ATOM 150 N ASN A 10 -14.604 -4.699 -3.462 1.00 0.00 N ATOM 151 CA ASN A 10 -15.176 -4.976 -4.779 1.00 0.00 C ATOM 152 C ASN A 10 -15.278 -3.710 -5.615 1.00 0.00 C ATOM 153 O ASN A 10 -15.853 -3.712 -6.704 1.00 0.00 O ATOM 154 CB ASN A 10 -16.553 -5.619 -4.637 1.00 0.00 C ATOM 155 CG ASN A 10 -16.471 -7.122 -4.446 1.00 0.00 C ATOM 156 OD1 ASN A 10 -16.326 -7.607 -3.324 1.00 0.00 O ATOM 157 ND2 ASN A 10 -16.564 -7.868 -5.541 1.00 0.00 N ATOM 0 H ASN A 10 -15.304 -4.511 -2.744 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.509 -5.669 -5.291 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -17.073 -5.175 -3.788 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -17.147 -5.400 -5.524 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -16.516 -8.884 -5.471 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.684 -7.424 -6.452 1.00 0.00 H new ATOM 164 N ILE A 11 -14.689 -2.639 -5.114 1.00 0.00 N ATOM 165 CA ILE A 11 -14.677 -1.371 -5.817 1.00 0.00 C ATOM 166 C ILE A 11 -13.494 -1.361 -6.758 1.00 0.00 C ATOM 167 O ILE A 11 -13.386 -0.500 -7.630 1.00 0.00 O ATOM 168 CB ILE A 11 -14.495 -0.189 -4.843 1.00 0.00 C ATOM 169 CG1 ILE A 11 -13.383 -0.521 -3.851 1.00 0.00 C ATOM 170 CG2 ILE A 11 -15.785 0.131 -4.109 1.00 0.00 C ATOM 171 CD1 ILE A 11 -12.669 0.688 -3.309 1.00 0.00 C ATOM 0 H ILE A 11 -14.209 -2.624 -4.214 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.626 -1.263 -6.342 1.00 0.00 H new ATOM 0 HB ILE A 11 -14.221 0.696 -5.417 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -13.807 -1.084 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -12.657 -1.172 -4.338 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -15.620 0.969 -3.431 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -16.558 0.395 -4.830 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -16.104 -0.741 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -11.894 0.370 -2.612 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -12.214 1.240 -4.131 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -13.382 1.330 -2.791 1.00 0.00 H new ATOM 183 N HIS A 12 -12.584 -2.313 -6.554 1.00 0.00 N ATOM 184 CA HIS A 12 -11.389 -2.377 -7.372 1.00 0.00 C ATOM 185 C HIS A 12 -10.740 -3.754 -7.248 1.00 0.00 C ATOM 186 O HIS A 12 -10.886 -4.426 -6.225 1.00 0.00 O ATOM 187 CB HIS A 12 -10.432 -1.305 -6.858 1.00 0.00 C ATOM 188 CG HIS A 12 -9.483 -0.719 -7.854 1.00 0.00 C ATOM 189 ND1 HIS A 12 -9.610 0.413 -8.566 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -8.261 -1.238 -8.187 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -8.481 0.597 -9.355 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -7.696 -0.424 -9.089 1.00 0.00 N flip ATOM 0 H HIS A 12 -12.655 -3.037 -5.839 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.632 -2.211 -8.422 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.025 -0.494 -6.435 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.849 -1.732 -6.043 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.828 -2.145 -7.792 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -8.289 1.408 -10.042 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -6.780 -0.576 -9.512 1.00 0.00 H new ATOM 200 N LYS A 13 -10.007 -4.158 -8.272 1.00 0.00 N ATOM 201 CA LYS A 13 -9.320 -5.444 -8.249 1.00 0.00 C ATOM 202 C LYS A 13 -8.044 -5.325 -7.421 1.00 0.00 C ATOM 203 O LYS A 13 -7.658 -4.227 -7.022 1.00 0.00 O ATOM 204 CB LYS A 13 -9.010 -5.923 -9.674 1.00 0.00 C ATOM 205 CG LYS A 13 -7.708 -5.374 -10.243 1.00 0.00 C ATOM 206 CD LYS A 13 -7.390 -5.974 -11.604 1.00 0.00 C ATOM 207 CE LYS A 13 -6.324 -7.055 -11.501 1.00 0.00 C ATOM 208 NZ LYS A 13 -5.626 -7.281 -12.797 1.00 0.00 N ATOM 0 H LYS A 13 -9.871 -3.619 -9.127 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.971 -6.187 -7.788 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.966 -7.012 -9.679 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.831 -5.635 -10.330 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -7.778 -4.290 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.892 -5.586 -9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.297 -6.396 -12.038 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.049 -5.189 -12.279 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.595 -6.773 -10.742 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.784 -7.986 -11.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.909 -8.025 -12.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.317 -7.576 -13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.164 -6.400 -13.101 1.00 0.00 H new ATOM 222 N CYS A 14 -7.395 -6.450 -7.160 1.00 0.00 N ATOM 223 CA CYS A 14 -6.170 -6.445 -6.371 1.00 0.00 C ATOM 224 C CYS A 14 -5.420 -7.768 -6.513 1.00 0.00 C ATOM 225 O CYS A 14 -5.630 -8.697 -5.733 1.00 0.00 O ATOM 226 CB CYS A 14 -6.488 -6.176 -4.898 1.00 0.00 C ATOM 227 SG CYS A 14 -7.736 -7.281 -4.196 1.00 0.00 S ATOM 0 H CYS A 14 -7.692 -7.372 -7.480 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.529 -5.648 -6.748 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.570 -6.267 -4.317 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.830 -5.146 -4.794 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.358 -8.515 -4.349 1.00 0.00 H new ATOM 233 N VAL A 15 -4.539 -7.840 -7.507 1.00 0.00 N ATOM 234 CA VAL A 15 -3.743 -9.044 -7.753 1.00 0.00 C ATOM 235 C VAL A 15 -2.408 -8.996 -7.014 1.00 0.00 C ATOM 236 O VAL A 15 -1.948 -10.004 -6.475 1.00 0.00 O ATOM 237 CB VAL A 15 -3.463 -9.253 -9.258 1.00 0.00 C ATOM 238 CG1 VAL A 15 -4.653 -9.902 -9.942 1.00 0.00 C ATOM 239 CG2 VAL A 15 -3.115 -7.936 -9.937 1.00 0.00 C ATOM 0 H VAL A 15 -4.356 -7.077 -8.159 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.337 -9.878 -7.379 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.606 -9.920 -9.348 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.434 -10.040 -11.001 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.852 -10.871 -9.484 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.529 -9.262 -9.833 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.923 -8.112 -10.995 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.947 -7.240 -9.830 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.225 -7.511 -9.472 1.00 0.00 H new ATOM 249 N TYR A 16 -1.783 -7.822 -7.010 1.00 0.00 N ATOM 250 CA TYR A 16 -0.492 -7.641 -6.355 1.00 0.00 C ATOM 251 C TYR A 16 -0.609 -7.758 -4.837 1.00 0.00 C ATOM 252 O TYR A 16 0.371 -8.054 -4.154 1.00 0.00 O ATOM 253 CB TYR A 16 0.105 -6.283 -6.732 1.00 0.00 C ATOM 254 CG TYR A 16 1.076 -6.352 -7.891 1.00 0.00 C ATOM 255 CD1 TYR A 16 2.420 -6.631 -7.679 1.00 0.00 C ATOM 256 CD2 TYR A 16 0.649 -6.144 -9.197 1.00 0.00 C ATOM 257 CE1 TYR A 16 3.310 -6.700 -8.731 1.00 0.00 C ATOM 258 CE2 TYR A 16 1.533 -6.211 -10.257 1.00 0.00 C ATOM 259 CZ TYR A 16 2.863 -6.490 -10.018 1.00 0.00 C ATOM 260 OH TYR A 16 3.747 -6.560 -11.069 1.00 0.00 O ATOM 0 H TYR A 16 -2.151 -6.981 -7.454 1.00 0.00 H new ATOM 0 HA TYR A 16 0.169 -8.435 -6.701 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.703 -5.597 -6.986 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.616 -5.866 -5.864 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.775 -6.797 -6.673 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.392 -5.926 -9.387 1.00 0.00 H new ATOM 0 HE1 TYR A 16 4.352 -6.917 -8.547 1.00 0.00 H new ATOM 0 HE2 TYR A 16 1.185 -6.046 -11.266 1.00 0.00 H new ATOM 0 HH TYR A 16 3.271 -6.389 -11.909 1.00 0.00 H new ATOM 270 N CYS A 17 -1.806 -7.521 -4.313 1.00 0.00 N ATOM 271 CA CYS A 17 -2.033 -7.599 -2.875 1.00 0.00 C ATOM 272 C CYS A 17 -1.829 -9.022 -2.364 1.00 0.00 C ATOM 273 O CYS A 17 -1.154 -9.239 -1.358 1.00 0.00 O ATOM 274 CB CYS A 17 -3.441 -7.118 -2.530 1.00 0.00 C ATOM 275 SG CYS A 17 -3.532 -6.143 -1.012 1.00 0.00 S ATOM 0 H CYS A 17 -2.631 -7.274 -4.860 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.306 -6.950 -2.386 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.823 -6.520 -3.357 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.096 -7.984 -2.434 1.00 0.00 H new ATOM 0 HG CYS A 17 -3.994 -4.959 -1.284 1.00 0.00 H new ATOM 281 N ASP A 18 -2.416 -9.989 -3.063 1.00 0.00 N ATOM 282 CA ASP A 18 -2.300 -11.391 -2.677 1.00 0.00 C ATOM 283 C ASP A 18 -0.838 -11.816 -2.584 1.00 0.00 C ATOM 284 O ASP A 18 -0.477 -12.661 -1.765 1.00 0.00 O ATOM 285 CB ASP A 18 -3.037 -12.279 -3.681 1.00 0.00 C ATOM 286 CG ASP A 18 -3.675 -13.488 -3.025 1.00 0.00 C ATOM 287 OD1 ASP A 18 -4.791 -13.348 -2.482 1.00 0.00 O ATOM 288 OD2 ASP A 18 -3.059 -14.574 -3.053 1.00 0.00 O ATOM 0 H ASP A 18 -2.977 -9.827 -3.900 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.754 -11.508 -1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.807 -11.693 -4.183 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.338 -12.612 -4.449 1.00 0.00 H new ATOM 293 N ASN A 19 -0.001 -11.225 -3.430 1.00 0.00 N ATOM 294 CA ASN A 19 1.421 -11.541 -3.443 1.00 0.00 C ATOM 295 C ASN A 19 2.121 -10.926 -2.234 1.00 0.00 C ATOM 296 O ASN A 19 2.766 -11.630 -1.456 1.00 0.00 O ATOM 297 CB ASN A 19 2.063 -11.043 -4.740 1.00 0.00 C ATOM 298 CG ASN A 19 1.392 -11.620 -5.973 1.00 0.00 C ATOM 299 OD1 ASN A 19 1.170 -10.779 -6.977 1.00 0.00 O flip ATOM 300 ND2 ASN A 19 1.076 -12.810 -6.022 1.00 0.00 N flip ATOM 0 H ASN A 19 -0.284 -10.525 -4.115 1.00 0.00 H new ATOM 0 HA ASN A 19 1.533 -12.624 -3.390 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.009 -9.955 -4.775 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.120 -11.310 -4.746 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.265 -13.421 -5.228 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.625 -13.184 -6.857 1.00 0.00 H new ATOM 307 N ALA A 20 1.985 -9.613 -2.075 1.00 0.00 N ATOM 308 CA ALA A 20 2.601 -8.912 -0.955 1.00 0.00 C ATOM 309 C ALA A 20 2.119 -9.483 0.373 1.00 0.00 C ATOM 310 O ALA A 20 2.921 -9.828 1.240 1.00 0.00 O ATOM 311 CB ALA A 20 2.304 -7.422 -1.031 1.00 0.00 C ATOM 0 H ALA A 20 1.454 -9.014 -2.707 1.00 0.00 H new ATOM 0 HA ALA A 20 3.680 -9.055 -1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.771 -6.914 -0.187 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.701 -7.019 -1.962 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.226 -7.264 -0.998 1.00 0.00 H new ATOM 317 N LYS A 21 0.801 -9.588 0.524 1.00 0.00 N ATOM 318 CA LYS A 21 0.209 -10.125 1.745 1.00 0.00 C ATOM 319 C LYS A 21 0.772 -11.509 2.051 1.00 0.00 C ATOM 320 O LYS A 21 1.172 -11.793 3.180 1.00 0.00 O ATOM 321 CB LYS A 21 -1.312 -10.198 1.610 1.00 0.00 C ATOM 322 CG LYS A 21 -2.043 -10.222 2.941 1.00 0.00 C ATOM 323 CD LYS A 21 -3.354 -9.455 2.871 1.00 0.00 C ATOM 324 CE LYS A 21 -3.141 -7.965 3.085 1.00 0.00 C ATOM 325 NZ LYS A 21 -3.260 -7.198 1.815 1.00 0.00 N ATOM 0 H LYS A 21 0.123 -9.308 -0.185 1.00 0.00 H new ATOM 0 HA LYS A 21 0.459 -9.457 2.569 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.658 -9.342 1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.575 -11.092 1.045 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.239 -11.254 3.231 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.408 -9.789 3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.822 -9.621 1.901 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.041 -9.837 3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.872 -7.593 3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.155 -7.798 3.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.472 -6.523 1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.230 -7.854 1.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -4.162 -6.680 1.806 1.00 0.00 H new ATOM 339 N ARG A 22 0.812 -12.364 1.033 1.00 0.00 N ATOM 340 CA ARG A 22 1.340 -13.713 1.194 1.00 0.00 C ATOM 341 C ARG A 22 2.805 -13.654 1.605 1.00 0.00 C ATOM 342 O ARG A 22 3.254 -14.412 2.465 1.00 0.00 O ATOM 343 CB ARG A 22 1.190 -14.506 -0.106 1.00 0.00 C ATOM 344 CG ARG A 22 1.603 -15.965 0.021 1.00 0.00 C ATOM 345 CD ARG A 22 0.500 -16.805 0.645 1.00 0.00 C ATOM 346 NE ARG A 22 -0.630 -16.985 -0.264 1.00 0.00 N ATOM 347 CZ ARG A 22 -1.716 -17.694 0.036 1.00 0.00 C ATOM 348 NH1 ARG A 22 -1.823 -18.292 1.217 1.00 0.00 N ATOM 349 NH2 ARG A 22 -2.699 -17.807 -0.848 1.00 0.00 N ATOM 0 H ARG A 22 0.486 -12.147 0.091 1.00 0.00 H new ATOM 0 HA ARG A 22 0.772 -14.218 1.975 1.00 0.00 H new ATOM 0 HB2 ARG A 22 0.152 -14.458 -0.434 1.00 0.00 H new ATOM 0 HB3 ARG A 22 1.791 -14.033 -0.882 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.850 -16.361 -0.964 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.505 -16.037 0.629 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.900 -17.780 0.924 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.155 -16.328 1.562 1.00 0.00 H new ATOM 0 HE ARG A 22 -0.584 -16.542 -1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.070 -18.209 1.900 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.658 -18.834 1.441 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.622 -17.351 -1.757 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.531 -18.350 -0.619 1.00 0.00 H new ATOM 363 N LEU A 23 3.539 -12.728 0.994 1.00 0.00 N ATOM 364 CA LEU A 23 4.952 -12.540 1.300 1.00 0.00 C ATOM 365 C LEU A 23 5.131 -12.267 2.788 1.00 0.00 C ATOM 366 O LEU A 23 5.896 -12.948 3.470 1.00 0.00 O ATOM 367 CB LEU A 23 5.511 -11.373 0.480 1.00 0.00 C ATOM 368 CG LEU A 23 7.023 -11.157 0.576 1.00 0.00 C ATOM 369 CD1 LEU A 23 7.484 -10.183 -0.496 1.00 0.00 C ATOM 370 CD2 LEU A 23 7.408 -10.643 1.953 1.00 0.00 C ATOM 0 H LEU A 23 3.176 -12.095 0.282 1.00 0.00 H new ATOM 0 HA LEU A 23 5.496 -13.448 1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.251 -11.531 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.011 -10.458 0.798 1.00 0.00 H new ATOM 0 HG LEU A 23 7.517 -12.116 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.561 -10.038 -0.417 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.243 -10.585 -1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.978 -9.227 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.487 -10.497 1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.905 -9.694 2.141 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.108 -11.369 2.709 1.00 0.00 H new ATOM 382 N LEU A 24 4.405 -11.272 3.284 1.00 0.00 N ATOM 383 CA LEU A 24 4.468 -10.906 4.694 1.00 0.00 C ATOM 384 C LEU A 24 4.063 -12.085 5.567 1.00 0.00 C ATOM 385 O LEU A 24 4.715 -12.385 6.566 1.00 0.00 O ATOM 386 CB LEU A 24 3.557 -9.711 4.971 1.00 0.00 C ATOM 387 CG LEU A 24 4.061 -8.380 4.421 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.896 -7.473 4.067 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.975 -7.703 5.428 1.00 0.00 C ATOM 0 H LEU A 24 3.765 -10.703 2.730 1.00 0.00 H new ATOM 0 HA LEU A 24 5.495 -10.630 4.934 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.574 -9.915 4.545 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.424 -9.616 6.049 1.00 0.00 H new ATOM 0 HG LEU A 24 4.631 -8.576 3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.276 -6.529 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.276 -7.955 3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.299 -7.283 4.959 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.326 -6.755 5.021 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.426 -7.520 6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.829 -8.348 5.635 1.00 0.00 H new ATOM 401 N THR A 25 2.984 -12.759 5.174 1.00 0.00 N ATOM 402 CA THR A 25 2.501 -13.917 5.914 1.00 0.00 C ATOM 403 C THR A 25 3.601 -14.968 6.003 1.00 0.00 C ATOM 404 O THR A 25 3.809 -15.586 7.046 1.00 0.00 O ATOM 405 CB THR A 25 1.264 -14.505 5.234 1.00 0.00 C ATOM 406 OG1 THR A 25 0.306 -13.495 4.977 1.00 0.00 O ATOM 407 CG2 THR A 25 0.588 -15.584 6.050 1.00 0.00 C ATOM 0 H THR A 25 2.431 -12.522 4.350 1.00 0.00 H new ATOM 0 HA THR A 25 2.226 -13.603 6.921 1.00 0.00 H new ATOM 0 HB THR A 25 1.627 -14.949 4.307 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.525 -13.043 4.135 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.282 -15.958 5.510 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.287 -16.402 6.222 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.270 -15.171 7.007 1.00 0.00 H new ATOM 415 N VAL A 26 4.316 -15.143 4.895 1.00 0.00 N ATOM 416 CA VAL A 26 5.414 -16.098 4.826 1.00 0.00 C ATOM 417 C VAL A 26 6.638 -15.558 5.559 1.00 0.00 C ATOM 418 O VAL A 26 7.401 -16.314 6.159 1.00 0.00 O ATOM 419 CB VAL A 26 5.794 -16.401 3.362 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.900 -17.441 3.293 1.00 0.00 C ATOM 421 CG2 VAL A 26 4.573 -16.860 2.580 1.00 0.00 C ATOM 0 H VAL A 26 4.152 -14.631 4.028 1.00 0.00 H new ATOM 0 HA VAL A 26 5.080 -17.019 5.303 1.00 0.00 H new ATOM 0 HB VAL A 26 6.168 -15.483 2.909 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.150 -17.638 2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.782 -17.069 3.814 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.562 -18.363 3.765 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.859 -17.070 1.549 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.168 -17.764 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.816 -16.076 2.594 1.00 0.00 H new ATOM 431 N LYS A 27 6.808 -14.240 5.509 1.00 0.00 N ATOM 432 CA LYS A 27 7.929 -13.584 6.172 1.00 0.00 C ATOM 433 C LYS A 27 7.704 -13.512 7.682 1.00 0.00 C ATOM 434 O LYS A 27 8.620 -13.196 8.440 1.00 0.00 O ATOM 435 CB LYS A 27 8.129 -12.175 5.605 1.00 0.00 C ATOM 436 CG LYS A 27 9.267 -12.072 4.600 1.00 0.00 C ATOM 437 CD LYS A 27 10.596 -11.814 5.289 1.00 0.00 C ATOM 438 CE LYS A 27 11.725 -12.591 4.630 1.00 0.00 C ATOM 439 NZ LYS A 27 12.818 -12.908 5.592 1.00 0.00 N ATOM 0 H LYS A 27 6.182 -13.604 5.015 1.00 0.00 H new ATOM 0 HA LYS A 27 8.826 -14.175 5.986 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.204 -11.851 5.127 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.320 -11.486 6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.328 -12.994 4.022 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.059 -11.267 3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.821 -10.748 5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.523 -12.096 6.339 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.332 -13.517 4.210 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.129 -12.011 3.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.568 -13.438 5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.211 -12.024 5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.439 -13.483 6.371 1.00 0.00 H new ATOM 453 N LYS A 28 6.475 -13.804 8.114 1.00 0.00 N ATOM 454 CA LYS A 28 6.129 -13.770 9.532 1.00 0.00 C ATOM 455 C LYS A 28 6.115 -12.337 10.053 1.00 0.00 C ATOM 456 O LYS A 28 6.592 -12.061 11.154 1.00 0.00 O ATOM 457 CB LYS A 28 7.111 -14.615 10.347 1.00 0.00 C ATOM 458 CG LYS A 28 7.355 -15.997 9.763 1.00 0.00 C ATOM 459 CD LYS A 28 6.750 -17.088 10.633 1.00 0.00 C ATOM 460 CE LYS A 28 5.238 -16.950 10.726 1.00 0.00 C ATOM 461 NZ LYS A 28 4.556 -17.489 9.518 1.00 0.00 N ATOM 0 H LYS A 28 5.704 -14.066 7.500 1.00 0.00 H new ATOM 0 HA LYS A 28 5.129 -14.189 9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.062 -14.086 10.417 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.730 -14.721 11.363 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.927 -16.050 8.762 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.427 -16.165 9.661 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.003 -18.065 10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.183 -17.041 11.632 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.879 -17.476 11.611 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.976 -15.899 10.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.631 -17.880 9.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.421 -16.725 8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 5.139 -18.240 9.096 1.00 0.00 H new ATOM 475 N GLN A 29 5.564 -11.427 9.256 1.00 0.00 N ATOM 476 CA GLN A 29 5.493 -10.024 9.640 1.00 0.00 C ATOM 477 C GLN A 29 4.095 -9.455 9.415 1.00 0.00 C ATOM 478 O GLN A 29 3.616 -9.402 8.282 1.00 0.00 O ATOM 479 CB GLN A 29 6.509 -9.202 8.843 1.00 0.00 C ATOM 480 CG GLN A 29 7.883 -9.132 9.491 1.00 0.00 C ATOM 481 CD GLN A 29 8.708 -10.382 9.259 1.00 0.00 C ATOM 482 OE1 GLN A 29 9.457 -10.402 8.163 1.00 0.00 O flip ATOM 483 NE2 GLN A 29 8.673 -11.320 10.055 1.00 0.00 N flip ATOM 0 H GLN A 29 5.161 -11.637 8.343 1.00 0.00 H new ATOM 0 HA GLN A 29 5.725 -9.963 10.703 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.609 -9.632 7.846 1.00 0.00 H new ATOM 0 HB3 GLN A 29 6.125 -8.190 8.717 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.421 -8.269 9.098 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.766 -8.974 10.563 1.00 0.00 H new ATOM 0 HE21 GLN A 29 8.083 -11.263 10.885 1.00 0.00 H new ATOM 0 HE22 GLN A 29 9.234 -12.155 9.885 1.00 0.00 H new ATOM 492 N PRO A 30 3.421 -9.004 10.489 1.00 0.00 N ATOM 493 CA PRO A 30 2.081 -8.418 10.384 1.00 0.00 C ATOM 494 C PRO A 30 2.037 -7.307 9.349 1.00 0.00 C ATOM 495 O PRO A 30 3.046 -7.005 8.711 1.00 0.00 O ATOM 496 CB PRO A 30 1.842 -7.831 11.780 1.00 0.00 C ATOM 497 CG PRO A 30 2.687 -8.655 12.681 1.00 0.00 C ATOM 498 CD PRO A 30 3.910 -9.013 11.882 1.00 0.00 C ATOM 0 HA PRO A 30 1.334 -9.150 10.076 1.00 0.00 H new ATOM 0 HB2 PRO A 30 2.126 -6.779 11.822 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.790 -7.889 12.060 1.00 0.00 H new ATOM 0 HG2 PRO A 30 2.956 -8.101 13.580 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.156 -9.550 13.005 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.713 -8.291 12.031 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.303 -9.990 12.164 1.00 0.00 H new ATOM 506 N PHE A 31 0.879 -6.678 9.204 1.00 0.00 N ATOM 507 CA PHE A 31 0.739 -5.571 8.272 1.00 0.00 C ATOM 508 C PHE A 31 -0.539 -4.779 8.537 1.00 0.00 C ATOM 509 O PHE A 31 -1.392 -5.198 9.319 1.00 0.00 O ATOM 510 CB PHE A 31 0.772 -6.064 6.832 1.00 0.00 C ATOM 511 CG PHE A 31 -0.031 -7.303 6.627 1.00 0.00 C ATOM 512 CD1 PHE A 31 0.488 -8.535 6.968 1.00 0.00 C ATOM 513 CD2 PHE A 31 -1.307 -7.233 6.106 1.00 0.00 C ATOM 514 CE1 PHE A 31 -0.250 -9.684 6.792 1.00 0.00 C ATOM 515 CE2 PHE A 31 -2.056 -8.377 5.926 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.527 -9.608 6.269 1.00 0.00 C ATOM 0 H PHE A 31 0.029 -6.914 9.716 1.00 0.00 H new ATOM 0 HA PHE A 31 1.587 -4.903 8.427 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.395 -5.280 6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.805 -6.254 6.541 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.485 -8.599 7.378 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.723 -6.273 5.837 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.168 -10.642 7.062 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.054 -8.312 5.518 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.110 -10.506 6.129 1.00 0.00 H new ATOM 526 N GLU A 32 -0.667 -3.639 7.866 1.00 0.00 N ATOM 527 CA GLU A 32 -1.846 -2.781 8.010 1.00 0.00 C ATOM 528 C GLU A 32 -2.249 -2.170 6.664 1.00 0.00 C ATOM 529 O GLU A 32 -1.461 -1.475 6.034 1.00 0.00 O ATOM 530 CB GLU A 32 -1.568 -1.670 9.025 1.00 0.00 C ATOM 531 CG GLU A 32 -2.816 -0.933 9.481 1.00 0.00 C ATOM 532 CD GLU A 32 -2.519 0.120 10.530 1.00 0.00 C ATOM 533 OE1 GLU A 32 -1.523 0.857 10.367 1.00 0.00 O ATOM 534 OE2 GLU A 32 -3.284 0.211 11.514 1.00 0.00 O ATOM 0 H GLU A 32 0.032 -3.284 7.214 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.671 -3.396 8.368 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.073 -2.101 9.895 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.874 -0.954 8.585 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.289 -0.460 8.620 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -3.531 -1.651 9.884 1.00 0.00 H new ATOM 541 N PHE A 33 -3.478 -2.442 6.228 1.00 0.00 N ATOM 542 CA PHE A 33 -3.980 -1.927 4.957 1.00 0.00 C ATOM 543 C PHE A 33 -4.716 -0.600 5.126 1.00 0.00 C ATOM 544 O PHE A 33 -5.071 -0.206 6.238 1.00 0.00 O ATOM 545 CB PHE A 33 -4.921 -2.953 4.332 1.00 0.00 C ATOM 546 CG PHE A 33 -5.047 -2.835 2.845 1.00 0.00 C ATOM 547 CD1 PHE A 33 -4.049 -3.314 2.023 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.167 -2.258 2.274 1.00 0.00 C ATOM 549 CE1 PHE A 33 -4.164 -3.224 0.648 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.286 -2.160 0.900 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.284 -2.647 0.088 1.00 0.00 C ATOM 0 H PHE A 33 -4.146 -3.019 6.739 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.122 -1.750 4.308 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.566 -3.954 4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.909 -2.846 4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.169 -3.764 2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.956 -1.880 2.907 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.378 -3.605 0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.162 -1.703 0.464 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.376 -2.577 -0.986 1.00 0.00 H new ATOM 561 N ILE A 34 -4.946 0.078 4.002 1.00 0.00 N ATOM 562 CA ILE A 34 -5.648 1.355 3.984 1.00 0.00 C ATOM 563 C ILE A 34 -6.383 1.533 2.659 1.00 0.00 C ATOM 564 O ILE A 34 -5.803 1.369 1.585 1.00 0.00 O ATOM 565 CB ILE A 34 -4.687 2.538 4.195 1.00 0.00 C ATOM 566 CG1 ILE A 34 -3.764 2.264 5.384 1.00 0.00 C ATOM 567 CG2 ILE A 34 -5.470 3.824 4.409 1.00 0.00 C ATOM 568 CD1 ILE A 34 -2.632 3.256 5.513 1.00 0.00 C ATOM 0 H ILE A 34 -4.650 -0.245 3.081 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.363 1.344 4.807 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.074 2.655 3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.353 2.277 6.301 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.348 1.261 5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.777 4.652 4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.090 4.022 3.535 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.105 3.721 5.289 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.020 2.999 6.377 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.019 3.227 4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.040 4.259 5.643 1.00 0.00 H new ATOM 580 N ASN A 35 -7.665 1.843 2.750 1.00 0.00 N ATOM 581 CA ASN A 35 -8.508 2.023 1.567 1.00 0.00 C ATOM 582 C ASN A 35 -8.391 3.434 0.997 1.00 0.00 C ATOM 583 O ASN A 35 -8.591 4.420 1.707 1.00 0.00 O ATOM 584 CB ASN A 35 -9.967 1.726 1.914 1.00 0.00 C ATOM 585 CG ASN A 35 -10.331 0.273 1.684 1.00 0.00 C ATOM 586 OD1 ASN A 35 -10.078 -0.584 2.530 1.00 0.00 O ATOM 587 ND2 ASN A 35 -10.928 -0.011 0.533 1.00 0.00 N ATOM 0 H ASN A 35 -8.153 1.977 3.635 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.161 1.324 0.806 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.149 1.983 2.958 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.617 2.360 1.312 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.196 -0.972 0.321 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.118 0.732 -0.140 1.00 0.00 H new ATOM 594 N ILE A 36 -8.071 3.522 -0.294 1.00 0.00 N ATOM 595 CA ILE A 36 -7.935 4.815 -0.959 1.00 0.00 C ATOM 596 C ILE A 36 -9.175 5.161 -1.781 1.00 0.00 C ATOM 597 O ILE A 36 -9.455 6.335 -2.030 1.00 0.00 O ATOM 598 CB ILE A 36 -6.702 4.850 -1.881 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.807 3.777 -2.964 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.432 4.667 -1.066 1.00 0.00 C ATOM 601 CD1 ILE A 36 -6.109 4.150 -4.253 1.00 0.00 C ATOM 0 H ILE A 36 -7.902 2.717 -0.897 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.814 5.554 -0.167 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.663 5.823 -2.371 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.382 2.847 -2.586 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.859 3.584 -3.173 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.567 4.694 -1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.352 5.469 -0.332 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.465 3.707 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.224 3.343 -4.976 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.550 5.063 -4.655 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.049 4.314 -4.059 1.00 0.00 H new ATOM 613 N MET A 37 -9.911 4.140 -2.206 1.00 0.00 N ATOM 614 CA MET A 37 -11.112 4.353 -3.002 1.00 0.00 C ATOM 615 C MET A 37 -12.368 4.038 -2.193 1.00 0.00 C ATOM 616 O MET A 37 -12.694 2.875 -1.974 1.00 0.00 O ATOM 617 CB MET A 37 -11.087 3.481 -4.268 1.00 0.00 C ATOM 618 CG MET A 37 -11.282 4.257 -5.563 1.00 0.00 C ATOM 619 SD MET A 37 -11.450 3.174 -6.999 1.00 0.00 S ATOM 620 CE MET A 37 -9.872 3.433 -7.806 1.00 0.00 C ATOM 0 H MET A 37 -9.698 3.161 -2.013 1.00 0.00 H new ATOM 0 HA MET A 37 -11.133 5.404 -3.291 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.134 2.953 -4.314 1.00 0.00 H new ATOM 0 HB3 MET A 37 -11.867 2.724 -4.190 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.171 4.883 -5.478 1.00 0.00 H new ATOM 0 HG3 MET A 37 -10.434 4.926 -5.713 1.00 0.00 H new ATOM 0 HE1 MET A 37 -9.526 2.494 -8.239 1.00 0.00 H new ATOM 0 HE2 MET A 37 -9.985 4.177 -8.595 1.00 0.00 H new ATOM 0 HE3 MET A 37 -9.144 3.786 -7.076 1.00 0.00 H new ATOM 630 N PRO A 38 -13.109 5.063 -1.746 1.00 0.00 N ATOM 631 CA PRO A 38 -14.344 4.849 -0.989 1.00 0.00 C ATOM 632 C PRO A 38 -15.396 4.193 -1.872 1.00 0.00 C ATOM 633 O PRO A 38 -16.248 3.436 -1.405 1.00 0.00 O ATOM 634 CB PRO A 38 -14.776 6.262 -0.592 1.00 0.00 C ATOM 635 CG PRO A 38 -14.124 7.154 -1.592 1.00 0.00 C ATOM 636 CD PRO A 38 -12.826 6.492 -1.955 1.00 0.00 C ATOM 0 HA PRO A 38 -14.210 4.193 -0.129 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.861 6.366 -0.617 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.456 6.503 0.422 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.756 7.282 -2.471 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.952 8.147 -1.176 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.542 6.700 -2.987 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -12.007 6.837 -1.324 1.00 0.00 H new ATOM 644 N GLU A 39 -15.300 4.489 -3.163 1.00 0.00 N ATOM 645 CA GLU A 39 -16.200 3.945 -4.164 1.00 0.00 C ATOM 646 C GLU A 39 -15.438 3.741 -5.464 1.00 0.00 C ATOM 647 O GLU A 39 -14.431 4.402 -5.709 1.00 0.00 O ATOM 648 CB GLU A 39 -17.388 4.883 -4.391 1.00 0.00 C ATOM 649 CG GLU A 39 -18.592 4.201 -5.023 1.00 0.00 C ATOM 650 CD GLU A 39 -19.910 4.787 -4.548 1.00 0.00 C ATOM 651 OE1 GLU A 39 -20.179 5.966 -4.857 1.00 0.00 O ATOM 652 OE2 GLU A 39 -20.670 4.065 -3.869 1.00 0.00 O ATOM 0 H GLU A 39 -14.591 5.116 -3.543 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.587 2.988 -3.812 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.686 5.315 -3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.072 5.708 -5.030 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.528 4.291 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -18.566 3.137 -4.789 1.00 0.00 H new ATOM 659 N LYS A 40 -15.920 2.835 -6.304 1.00 0.00 N ATOM 660 CA LYS A 40 -15.266 2.568 -7.581 1.00 0.00 C ATOM 661 C LYS A 40 -15.300 3.787 -8.493 1.00 0.00 C ATOM 662 O LYS A 40 -14.710 3.795 -9.572 1.00 0.00 O ATOM 663 CB LYS A 40 -15.903 1.364 -8.277 1.00 0.00 C ATOM 664 CG LYS A 40 -17.370 1.566 -8.617 1.00 0.00 C ATOM 665 CD LYS A 40 -18.123 0.246 -8.643 1.00 0.00 C ATOM 666 CE LYS A 40 -18.250 -0.295 -10.058 1.00 0.00 C ATOM 667 NZ LYS A 40 -19.568 0.041 -10.664 1.00 0.00 N ATOM 0 H LYS A 40 -16.755 2.276 -6.128 1.00 0.00 H new ATOM 0 HA LYS A 40 -14.222 2.337 -7.370 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -15.352 1.151 -9.193 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -15.804 0.489 -7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -17.826 2.232 -7.884 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.456 2.054 -9.588 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -17.605 -0.482 -8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.116 0.384 -8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.451 0.114 -10.676 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -18.121 -1.377 -10.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.615 -0.345 -11.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.330 -0.371 -10.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.681 1.074 -10.699 1.00 0.00 H new ATOM 681 N GLY A 41 -16.012 4.799 -8.046 1.00 0.00 N ATOM 682 CA GLY A 41 -16.160 6.022 -8.810 1.00 0.00 C ATOM 683 C GLY A 41 -15.010 7.000 -8.640 1.00 0.00 C ATOM 684 O GLY A 41 -14.407 7.429 -9.624 1.00 0.00 O ATOM 0 H GLY A 41 -16.501 4.800 -7.151 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -16.255 5.769 -9.866 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -17.087 6.513 -8.515 1.00 0.00 H new ATOM 688 N VAL A 42 -14.714 7.373 -7.397 1.00 0.00 N ATOM 689 CA VAL A 42 -13.646 8.334 -7.135 1.00 0.00 C ATOM 690 C VAL A 42 -12.957 8.064 -5.800 1.00 0.00 C ATOM 691 O VAL A 42 -13.615 7.805 -4.794 1.00 0.00 O ATOM 692 CB VAL A 42 -14.205 9.772 -7.137 1.00 0.00 C ATOM 693 CG1 VAL A 42 -13.088 10.800 -7.041 1.00 0.00 C ATOM 694 CG2 VAL A 42 -15.047 10.008 -8.383 1.00 0.00 C ATOM 0 H VAL A 42 -15.192 7.029 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 42 -12.909 8.223 -7.931 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.839 9.890 -6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.515 11.803 -7.045 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.531 10.646 -6.117 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.417 10.688 -7.892 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.435 11.026 -8.372 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -14.431 9.864 -9.271 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -15.878 9.303 -8.399 1.00 0.00 H new ATOM 704 N PHE A 43 -11.625 8.127 -5.798 1.00 0.00 N ATOM 705 CA PHE A 43 -10.857 7.891 -4.575 1.00 0.00 C ATOM 706 C PHE A 43 -11.238 8.896 -3.491 1.00 0.00 C ATOM 707 O PHE A 43 -11.925 9.883 -3.760 1.00 0.00 O ATOM 708 CB PHE A 43 -9.343 7.963 -4.820 1.00 0.00 C ATOM 709 CG PHE A 43 -8.914 7.688 -6.234 1.00 0.00 C ATOM 710 CD1 PHE A 43 -8.613 6.398 -6.646 1.00 0.00 C ATOM 711 CD2 PHE A 43 -8.792 8.725 -7.145 1.00 0.00 C ATOM 712 CE1 PHE A 43 -8.201 6.152 -7.943 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.385 8.484 -8.442 1.00 0.00 C ATOM 714 CZ PHE A 43 -8.087 7.196 -8.841 1.00 0.00 C ATOM 0 H PHE A 43 -11.060 8.337 -6.621 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.103 6.882 -4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.991 8.955 -4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.849 7.249 -4.161 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.701 5.579 -5.948 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.018 9.735 -6.836 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.968 5.144 -8.254 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.300 9.301 -9.143 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.765 7.005 -9.854 1.00 0.00 H new ATOM 724 N ASP A 44 -10.782 8.643 -2.265 1.00 0.00 N ATOM 725 CA ASP A 44 -11.079 9.528 -1.140 1.00 0.00 C ATOM 726 C ASP A 44 -10.031 10.633 -1.005 1.00 0.00 C ATOM 727 O ASP A 44 -8.831 10.363 -0.975 1.00 0.00 O ATOM 728 CB ASP A 44 -11.151 8.730 0.165 1.00 0.00 C ATOM 729 CG ASP A 44 -12.529 8.785 0.794 1.00 0.00 C ATOM 730 OD1 ASP A 44 -13.174 9.851 0.714 1.00 0.00 O ATOM 731 OD2 ASP A 44 -12.962 7.765 1.368 1.00 0.00 O ATOM 0 H ASP A 44 -10.207 7.835 -2.026 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.046 9.992 -1.336 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.884 7.692 -0.031 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.416 9.121 0.869 1.00 0.00 H new ATOM 736 N ASP A 45 -10.493 11.876 -0.903 1.00 0.00 N ATOM 737 CA ASP A 45 -9.593 13.016 -0.757 1.00 0.00 C ATOM 738 C ASP A 45 -8.805 12.923 0.548 1.00 0.00 C ATOM 739 O ASP A 45 -7.640 13.318 0.611 1.00 0.00 O ATOM 740 CB ASP A 45 -10.383 14.327 -0.793 1.00 0.00 C ATOM 741 CG ASP A 45 -11.537 14.336 0.191 1.00 0.00 C ATOM 742 OD1 ASP A 45 -12.506 13.577 -0.026 1.00 0.00 O ATOM 743 OD2 ASP A 45 -11.472 15.101 1.175 1.00 0.00 O ATOM 0 H ASP A 45 -11.483 12.119 -0.919 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.890 13.000 -1.590 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.713 15.157 -0.570 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.767 14.489 -1.800 1.00 0.00 H new ATOM 748 N GLU A 46 -9.450 12.399 1.585 1.00 0.00 N ATOM 749 CA GLU A 46 -8.814 12.252 2.890 1.00 0.00 C ATOM 750 C GLU A 46 -7.680 11.232 2.834 1.00 0.00 C ATOM 751 O GLU A 46 -6.563 11.508 3.269 1.00 0.00 O ATOM 752 CB GLU A 46 -9.847 11.830 3.938 1.00 0.00 C ATOM 753 CG GLU A 46 -9.267 11.652 5.332 1.00 0.00 C ATOM 754 CD GLU A 46 -10.295 11.878 6.424 1.00 0.00 C ATOM 755 OE1 GLU A 46 -11.047 12.871 6.335 1.00 0.00 O ATOM 756 OE2 GLU A 46 -10.349 11.061 7.367 1.00 0.00 O ATOM 0 H GLU A 46 -10.414 12.068 1.547 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.393 13.217 3.172 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.639 12.578 3.977 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.308 10.894 3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.858 10.646 5.426 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.438 12.347 5.468 1.00 0.00 H new ATOM 763 N LYS A 47 -7.976 10.053 2.296 1.00 0.00 N ATOM 764 CA LYS A 47 -6.979 8.994 2.181 1.00 0.00 C ATOM 765 C LYS A 47 -5.902 9.370 1.170 1.00 0.00 C ATOM 766 O LYS A 47 -4.714 9.134 1.395 1.00 0.00 O ATOM 767 CB LYS A 47 -7.642 7.677 1.775 1.00 0.00 C ATOM 768 CG LYS A 47 -8.851 7.315 2.622 1.00 0.00 C ATOM 769 CD LYS A 47 -8.444 6.926 4.034 1.00 0.00 C ATOM 770 CE LYS A 47 -9.628 6.410 4.836 1.00 0.00 C ATOM 771 NZ LYS A 47 -9.528 6.777 6.275 1.00 0.00 N ATOM 0 H LYS A 47 -8.897 9.807 1.933 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.508 8.866 3.156 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.947 7.741 0.731 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.908 6.874 1.844 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.537 8.161 2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -9.389 6.489 2.156 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.670 6.159 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.010 7.789 4.539 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.551 6.815 4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.685 5.326 4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -10.354 6.406 6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -8.660 6.369 6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -9.499 7.812 6.368 1.00 0.00 H new ATOM 785 N ILE A 48 -6.322 9.959 0.057 1.00 0.00 N ATOM 786 CA ILE A 48 -5.393 10.372 -0.988 1.00 0.00 C ATOM 787 C ILE A 48 -4.491 11.502 -0.492 1.00 0.00 C ATOM 788 O ILE A 48 -3.319 11.580 -0.857 1.00 0.00 O ATOM 789 CB ILE A 48 -6.152 10.821 -2.264 1.00 0.00 C ATOM 790 CG1 ILE A 48 -6.484 9.613 -3.149 1.00 0.00 C ATOM 791 CG2 ILE A 48 -5.343 11.840 -3.059 1.00 0.00 C ATOM 792 CD1 ILE A 48 -7.119 8.456 -2.406 1.00 0.00 C ATOM 0 H ILE A 48 -7.301 10.162 -0.145 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.774 9.511 -1.240 1.00 0.00 H new ATOM 0 HB ILE A 48 -7.081 11.294 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.157 9.933 -3.944 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -5.569 9.265 -3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.902 12.135 -3.947 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -5.155 12.718 -2.441 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -4.393 11.397 -3.358 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.322 7.643 -3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.440 8.106 -1.629 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -8.053 8.785 -1.950 1.00 0.00 H new ATOM 804 N ALA A 49 -5.048 12.375 0.341 1.00 0.00 N ATOM 805 CA ALA A 49 -4.296 13.501 0.883 1.00 0.00 C ATOM 806 C ALA A 49 -3.241 13.034 1.881 1.00 0.00 C ATOM 807 O ALA A 49 -2.051 13.299 1.709 1.00 0.00 O ATOM 808 CB ALA A 49 -5.241 14.496 1.542 1.00 0.00 C ATOM 0 H ALA A 49 -6.017 12.324 0.655 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.782 13.992 0.056 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.668 15.332 1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.953 14.865 0.804 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.780 14.004 2.352 1.00 0.00 H new ATOM 814 N GLU A 50 -3.683 12.341 2.926 1.00 0.00 N ATOM 815 CA GLU A 50 -2.773 11.843 3.951 1.00 0.00 C ATOM 816 C GLU A 50 -1.680 10.975 3.336 1.00 0.00 C ATOM 817 O GLU A 50 -0.563 10.913 3.851 1.00 0.00 O ATOM 818 CB GLU A 50 -3.542 11.053 5.013 1.00 0.00 C ATOM 819 CG GLU A 50 -4.084 9.722 4.518 1.00 0.00 C ATOM 820 CD GLU A 50 -5.305 9.267 5.291 1.00 0.00 C ATOM 821 OE1 GLU A 50 -6.188 10.110 5.558 1.00 0.00 O ATOM 822 OE2 GLU A 50 -5.378 8.068 5.635 1.00 0.00 O ATOM 0 H GLU A 50 -4.664 12.112 3.085 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.300 12.702 4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.885 10.873 5.864 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.372 11.661 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.338 9.808 3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.305 8.964 4.598 1.00 0.00 H new ATOM 829 N LEU A 51 -2.002 10.315 2.228 1.00 0.00 N ATOM 830 CA LEU A 51 -1.041 9.464 1.542 1.00 0.00 C ATOM 831 C LEU A 51 0.148 10.290 1.075 1.00 0.00 C ATOM 832 O LEU A 51 1.280 10.060 1.497 1.00 0.00 O ATOM 833 CB LEU A 51 -1.708 8.771 0.352 1.00 0.00 C ATOM 834 CG LEU A 51 -0.771 7.950 -0.535 1.00 0.00 C ATOM 835 CD1 LEU A 51 0.039 6.972 0.301 1.00 0.00 C ATOM 836 CD2 LEU A 51 -1.568 7.214 -1.600 1.00 0.00 C ATOM 0 H LEU A 51 -2.921 10.354 1.788 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.686 8.702 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.493 8.115 0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.193 9.529 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.076 8.629 -1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.699 6.398 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.635 7.522 1.029 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.636 6.294 0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.890 6.633 -2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.283 6.545 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.103 7.935 -2.218 1.00 0.00 H new ATOM 848 N LEU A 52 -0.124 11.265 0.211 1.00 0.00 N ATOM 849 CA LEU A 52 0.905 12.146 -0.316 1.00 0.00 C ATOM 850 C LEU A 52 1.823 12.660 0.784 1.00 0.00 C ATOM 851 O LEU A 52 3.025 12.832 0.581 1.00 0.00 O ATOM 852 CB LEU A 52 0.241 13.293 -1.025 1.00 0.00 C ATOM 853 CG LEU A 52 -0.570 12.850 -2.227 1.00 0.00 C ATOM 854 CD1 LEU A 52 -1.176 14.048 -2.875 1.00 0.00 C ATOM 855 CD2 LEU A 52 0.297 12.082 -3.212 1.00 0.00 C ATOM 0 H LEU A 52 -1.061 11.463 -0.140 1.00 0.00 H new ATOM 0 HA LEU A 52 1.526 11.584 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.410 13.818 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.001 14.004 -1.348 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.364 12.179 -1.898 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.761 13.737 -3.741 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.825 14.558 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.386 14.727 -3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.307 11.775 -4.066 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.111 12.720 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.709 11.199 -2.723 1.00 0.00 H new ATOM 867 N THR A 53 1.242 12.901 1.955 1.00 0.00 N ATOM 868 CA THR A 53 2.000 13.393 3.099 1.00 0.00 C ATOM 869 C THR A 53 2.946 12.318 3.626 1.00 0.00 C ATOM 870 O THR A 53 4.045 12.618 4.092 1.00 0.00 O ATOM 871 CB THR A 53 1.051 13.844 4.211 1.00 0.00 C ATOM 872 OG1 THR A 53 -0.014 14.612 3.681 1.00 0.00 O ATOM 873 CG2 THR A 53 1.732 14.674 5.278 1.00 0.00 C ATOM 0 H THR A 53 0.248 12.763 2.136 1.00 0.00 H new ATOM 0 HA THR A 53 2.594 14.246 2.771 1.00 0.00 H new ATOM 0 HB THR A 53 0.684 12.925 4.668 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.610 14.889 4.407 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.003 14.961 6.036 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.527 14.090 5.742 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.157 15.570 4.826 1.00 0.00 H new ATOM 881 N LYS A 54 2.511 11.064 3.543 1.00 0.00 N ATOM 882 CA LYS A 54 3.319 9.943 4.009 1.00 0.00 C ATOM 883 C LYS A 54 4.544 9.751 3.120 1.00 0.00 C ATOM 884 O LYS A 54 5.653 9.536 3.613 1.00 0.00 O ATOM 885 CB LYS A 54 2.483 8.661 4.038 1.00 0.00 C ATOM 886 CG LYS A 54 1.284 8.736 4.968 1.00 0.00 C ATOM 887 CD LYS A 54 1.043 7.411 5.673 1.00 0.00 C ATOM 888 CE LYS A 54 2.161 7.090 6.652 1.00 0.00 C ATOM 889 NZ LYS A 54 1.786 7.427 8.053 1.00 0.00 N ATOM 0 H LYS A 54 1.604 10.799 3.158 1.00 0.00 H new ATOM 0 HA LYS A 54 3.659 10.166 5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.136 8.441 3.028 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.118 7.830 4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.445 9.520 5.709 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.397 9.013 4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.092 7.448 6.204 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.965 6.613 4.934 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.407 6.030 6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.058 7.643 6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.575 7.193 8.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.576 8.443 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.945 6.880 8.328 1.00 0.00 H new ATOM 903 N LEU A 55 4.341 9.838 1.809 1.00 0.00 N ATOM 904 CA LEU A 55 5.429 9.678 0.853 1.00 0.00 C ATOM 905 C LEU A 55 6.535 10.702 1.091 1.00 0.00 C ATOM 906 O LEU A 55 7.671 10.514 0.659 1.00 0.00 O ATOM 907 CB LEU A 55 4.897 9.809 -0.569 1.00 0.00 C ATOM 908 CG LEU A 55 3.898 8.726 -0.961 1.00 0.00 C ATOM 909 CD1 LEU A 55 2.480 9.216 -0.756 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.116 8.292 -2.398 1.00 0.00 C ATOM 0 H LEU A 55 3.431 10.019 1.385 1.00 0.00 H new ATOM 0 HA LEU A 55 5.854 8.684 0.992 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.422 10.784 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.737 9.783 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 55 4.057 7.860 -0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.779 8.431 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.332 9.472 0.293 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.307 10.098 -1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.393 7.519 -2.658 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.986 9.148 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.126 7.897 -2.510 1.00 0.00 H new ATOM 922 N GLY A 56 6.197 11.789 1.783 1.00 0.00 N ATOM 923 CA GLY A 56 7.174 12.824 2.067 1.00 0.00 C ATOM 924 C GLY A 56 7.190 13.920 1.018 1.00 0.00 C ATOM 925 O GLY A 56 7.509 15.070 1.319 1.00 0.00 O ATOM 0 H GLY A 56 5.263 11.970 2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.959 13.263 3.041 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.165 12.374 2.131 1.00 0.00 H new ATOM 929 N ARG A 57 6.847 13.565 -0.216 1.00 0.00 N ATOM 930 CA ARG A 57 6.826 14.529 -1.310 1.00 0.00 C ATOM 931 C ARG A 57 5.457 15.192 -1.424 1.00 0.00 C ATOM 932 O ARG A 57 4.576 14.965 -0.595 1.00 0.00 O ATOM 933 CB ARG A 57 7.183 13.840 -2.628 1.00 0.00 C ATOM 934 CG ARG A 57 8.434 12.979 -2.544 1.00 0.00 C ATOM 935 CD ARG A 57 9.676 13.764 -2.935 1.00 0.00 C ATOM 936 NE ARG A 57 10.857 12.908 -3.030 1.00 0.00 N ATOM 937 CZ ARG A 57 12.054 13.338 -3.424 1.00 0.00 C ATOM 938 NH1 ARG A 57 12.233 14.609 -3.763 1.00 0.00 N ATOM 939 NH2 ARG A 57 13.074 12.493 -3.484 1.00 0.00 N ATOM 0 H ARG A 57 6.580 12.618 -0.483 1.00 0.00 H new ATOM 0 HA ARG A 57 7.566 15.300 -1.098 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.345 13.219 -2.943 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.325 14.598 -3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 57 8.547 12.598 -1.529 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.327 12.115 -3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 57 9.507 14.256 -3.893 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.855 14.549 -2.200 1.00 0.00 H new ATOM 0 HE ARG A 57 10.758 11.924 -2.780 1.00 0.00 H new ATOM 0 HH11 ARG A 57 11.451 15.263 -3.722 1.00 0.00 H new ATOM 0 HH12 ARG A 57 13.153 14.932 -4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 57 12.941 11.514 -3.228 1.00 0.00 H new ATOM 0 HH22 ARG A 57 13.991 12.821 -3.786 1.00 0.00 H new ATOM 953 N ASP A 58 5.286 16.013 -2.455 1.00 0.00 N ATOM 954 CA ASP A 58 4.024 16.710 -2.676 1.00 0.00 C ATOM 955 C ASP A 58 3.284 16.131 -3.877 1.00 0.00 C ATOM 956 O ASP A 58 2.053 16.118 -3.914 1.00 0.00 O ATOM 957 CB ASP A 58 4.275 18.204 -2.890 1.00 0.00 C ATOM 958 CG ASP A 58 5.270 18.470 -4.001 1.00 0.00 C ATOM 959 OD1 ASP A 58 4.977 18.108 -5.160 1.00 0.00 O ATOM 960 OD2 ASP A 58 6.344 19.038 -3.714 1.00 0.00 O ATOM 0 H ASP A 58 6.005 16.212 -3.150 1.00 0.00 H new ATOM 0 HA ASP A 58 3.403 16.574 -1.790 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.332 18.698 -3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.643 18.644 -1.963 1.00 0.00 H new ATOM 965 N THR A 59 4.041 15.651 -4.858 1.00 0.00 N ATOM 966 CA THR A 59 3.455 15.071 -6.060 1.00 0.00 C ATOM 967 C THR A 59 3.672 13.562 -6.099 1.00 0.00 C ATOM 968 O THR A 59 4.427 13.013 -5.298 1.00 0.00 O ATOM 969 CB THR A 59 4.057 15.716 -7.309 1.00 0.00 C ATOM 970 OG1 THR A 59 3.612 15.055 -8.480 1.00 0.00 O ATOM 971 CG2 THR A 59 5.570 15.702 -7.320 1.00 0.00 C ATOM 0 H THR A 59 5.061 15.652 -4.844 1.00 0.00 H new ATOM 0 HA THR A 59 2.383 15.265 -6.040 1.00 0.00 H new ATOM 0 HB THR A 59 3.720 16.752 -7.289 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.007 15.484 -9.268 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.932 16.175 -8.233 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.945 16.249 -6.455 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.925 14.672 -7.280 1.00 0.00 H new ATOM 979 N GLN A 60 3.006 12.898 -7.039 1.00 0.00 N ATOM 980 CA GLN A 60 3.126 11.452 -7.188 1.00 0.00 C ATOM 981 C GLN A 60 3.819 11.101 -8.498 1.00 0.00 C ATOM 982 O GLN A 60 3.201 11.102 -9.563 1.00 0.00 O ATOM 983 CB GLN A 60 1.750 10.791 -7.139 1.00 0.00 C ATOM 984 CG GLN A 60 0.796 11.283 -8.216 1.00 0.00 C ATOM 985 CD GLN A 60 -0.611 11.495 -7.694 1.00 0.00 C ATOM 986 OE1 GLN A 60 -1.419 10.567 -7.657 1.00 0.00 O ATOM 987 NE2 GLN A 60 -0.913 12.723 -7.285 1.00 0.00 N ATOM 0 H GLN A 60 2.377 13.339 -7.710 1.00 0.00 H new ATOM 0 HA GLN A 60 3.728 11.078 -6.360 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.871 9.712 -7.239 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.304 10.972 -6.161 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.171 12.219 -8.629 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.772 10.561 -9.033 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -0.213 13.463 -7.333 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.845 12.925 -6.923 1.00 0.00 H new ATOM 996 N ILE A 61 5.106 10.798 -8.409 1.00 0.00 N ATOM 997 CA ILE A 61 5.896 10.444 -9.583 1.00 0.00 C ATOM 998 C ILE A 61 5.566 9.037 -10.064 1.00 0.00 C ATOM 999 O ILE A 61 6.270 8.079 -9.744 1.00 0.00 O ATOM 1000 CB ILE A 61 7.409 10.535 -9.301 1.00 0.00 C ATOM 1001 CG1 ILE A 61 7.762 9.772 -8.015 1.00 0.00 C ATOM 1002 CG2 ILE A 61 7.848 11.993 -9.225 1.00 0.00 C ATOM 1003 CD1 ILE A 61 7.876 10.642 -6.777 1.00 0.00 C ATOM 0 H ILE A 61 5.629 10.790 -7.533 1.00 0.00 H new ATOM 0 HA ILE A 61 5.638 11.163 -10.360 1.00 0.00 H new ATOM 0 HB ILE A 61 7.950 10.067 -10.123 1.00 0.00 H new ATOM 0 HG12 ILE A 61 7.002 9.010 -7.839 1.00 0.00 H new ATOM 0 HG13 ILE A 61 8.707 9.250 -8.165 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.919 12.041 -9.025 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.633 12.488 -10.172 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.307 12.495 -8.423 1.00 0.00 H new ATOM 0 HD11 ILE A 61 8.128 10.021 -5.918 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.657 11.387 -6.927 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.925 11.144 -6.596 1.00 0.00 H new ATOM 1015 N GLY A 62 4.494 8.921 -10.838 1.00 0.00 N ATOM 1016 CA GLY A 62 4.090 7.627 -11.357 1.00 0.00 C ATOM 1017 C GLY A 62 3.813 6.618 -10.259 1.00 0.00 C ATOM 1018 O GLY A 62 3.891 5.411 -10.485 1.00 0.00 O ATOM 0 H GLY A 62 3.897 9.700 -11.116 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.195 7.748 -11.968 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.873 7.241 -12.010 1.00 0.00 H new ATOM 1022 N LEU A 63 3.491 7.111 -9.067 1.00 0.00 N ATOM 1023 CA LEU A 63 3.199 6.237 -7.937 1.00 0.00 C ATOM 1024 C LEU A 63 1.942 5.415 -8.202 1.00 0.00 C ATOM 1025 O LEU A 63 0.971 5.914 -8.773 1.00 0.00 O ATOM 1026 CB LEU A 63 3.038 7.057 -6.654 1.00 0.00 C ATOM 1027 CG LEU A 63 4.185 6.917 -5.652 1.00 0.00 C ATOM 1028 CD1 LEU A 63 4.192 5.524 -5.042 1.00 0.00 C ATOM 1029 CD2 LEU A 63 5.517 7.213 -6.324 1.00 0.00 C ATOM 0 H LEU A 63 3.426 8.108 -8.859 1.00 0.00 H new ATOM 0 HA LEU A 63 4.037 5.552 -7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.936 8.108 -6.923 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.110 6.761 -6.165 1.00 0.00 H new ATOM 0 HG LEU A 63 4.035 7.642 -4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.015 5.442 -4.331 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.248 5.348 -4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.318 4.782 -5.831 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.322 7.109 -5.597 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.675 6.512 -7.143 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.510 8.231 -6.714 1.00 0.00 H new ATOM 1041 N THR A 64 1.968 4.153 -7.790 1.00 0.00 N ATOM 1042 CA THR A 64 0.833 3.262 -7.996 1.00 0.00 C ATOM 1043 C THR A 64 0.471 2.514 -6.717 1.00 0.00 C ATOM 1044 O THR A 64 1.202 2.555 -5.728 1.00 0.00 O ATOM 1045 CB THR A 64 1.138 2.263 -9.110 1.00 0.00 C ATOM 1046 OG1 THR A 64 2.055 1.280 -8.666 1.00 0.00 O ATOM 1047 CG2 THR A 64 1.722 2.908 -10.349 1.00 0.00 C ATOM 0 H THR A 64 2.761 3.724 -7.312 1.00 0.00 H new ATOM 0 HA THR A 64 -0.020 3.876 -8.284 1.00 0.00 H new ATOM 0 HB THR A 64 0.177 1.818 -9.369 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.236 0.649 -9.394 1.00 0.00 H new ATOM 0 HG21 THR A 64 1.915 2.143 -11.101 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.016 3.637 -10.747 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.656 3.409 -10.093 1.00 0.00 H new ATOM 1055 N MET A 65 -0.665 1.826 -6.753 1.00 0.00 N ATOM 1056 CA MET A 65 -1.133 1.058 -5.609 1.00 0.00 C ATOM 1057 C MET A 65 -0.900 -0.433 -5.830 1.00 0.00 C ATOM 1058 O MET A 65 -0.805 -0.891 -6.969 1.00 0.00 O ATOM 1059 CB MET A 65 -2.619 1.326 -5.360 1.00 0.00 C ATOM 1060 CG MET A 65 -2.896 2.688 -4.746 1.00 0.00 C ATOM 1061 SD MET A 65 -3.203 3.959 -5.987 1.00 0.00 S ATOM 1062 CE MET A 65 -2.840 5.442 -5.051 1.00 0.00 C ATOM 0 H MET A 65 -1.280 1.786 -7.566 1.00 0.00 H new ATOM 0 HA MET A 65 -0.566 1.371 -4.732 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.157 1.246 -6.304 1.00 0.00 H new ATOM 0 HB3 MET A 65 -3.014 0.552 -4.701 1.00 0.00 H new ATOM 0 HG2 MET A 65 -3.759 2.615 -4.085 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.047 2.984 -4.130 1.00 0.00 H new ATOM 0 HE1 MET A 65 -3.543 6.228 -5.327 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.932 5.231 -3.985 1.00 0.00 H new ATOM 0 HE3 MET A 65 -1.824 5.771 -5.270 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.794 -1.213 -4.741 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.899 -0.714 -3.372 1.00 0.00 C ATOM 1074 C PRO A 66 0.408 -0.113 -2.863 1.00 0.00 C ATOM 1075 O PRO A 66 1.481 -0.689 -3.039 1.00 0.00 O ATOM 1076 CB PRO A 66 -1.262 -1.967 -2.558 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.361 -3.086 -3.548 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.575 -2.654 -4.751 1.00 0.00 C ATOM 0 HA PRO A 66 -1.630 0.091 -3.294 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.502 -2.177 -1.806 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.205 -1.829 -2.029 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.959 -4.010 -3.132 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.400 -3.281 -3.812 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.481 -2.909 -4.664 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.940 -3.118 -5.667 1.00 0.00 H new ATOM 1086 N GLN A 67 0.302 1.041 -2.212 1.00 0.00 N ATOM 1087 CA GLN A 67 1.468 1.717 -1.657 1.00 0.00 C ATOM 1088 C GLN A 67 1.671 1.307 -0.204 1.00 0.00 C ATOM 1089 O GLN A 67 0.743 1.367 0.597 1.00 0.00 O ATOM 1090 CB GLN A 67 1.301 3.234 -1.755 1.00 0.00 C ATOM 1091 CG GLN A 67 1.977 3.844 -2.973 1.00 0.00 C ATOM 1092 CD GLN A 67 1.063 4.782 -3.740 1.00 0.00 C ATOM 1093 OE1 GLN A 67 0.132 4.343 -4.416 1.00 0.00 O ATOM 1094 NE2 GLN A 67 1.324 6.079 -3.638 1.00 0.00 N ATOM 0 H GLN A 67 -0.581 1.528 -2.056 1.00 0.00 H new ATOM 0 HA GLN A 67 2.346 1.424 -2.233 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.238 3.473 -1.782 1.00 0.00 H new ATOM 0 HB3 GLN A 67 1.708 3.695 -0.855 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.866 4.388 -2.656 1.00 0.00 H new ATOM 0 HG3 GLN A 67 2.311 3.046 -3.636 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.106 6.398 -3.066 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.743 6.757 -4.131 1.00 0.00 H new ATOM 1103 N VAL A 68 2.879 0.877 0.136 1.00 0.00 N ATOM 1104 CA VAL A 68 3.164 0.452 1.499 1.00 0.00 C ATOM 1105 C VAL A 68 3.940 1.514 2.269 1.00 0.00 C ATOM 1106 O VAL A 68 4.603 2.366 1.680 1.00 0.00 O ATOM 1107 CB VAL A 68 3.947 -0.877 1.534 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.889 -1.487 2.925 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.400 -1.850 0.499 1.00 0.00 C ATOM 0 H VAL A 68 3.669 0.814 -0.506 1.00 0.00 H new ATOM 0 HA VAL A 68 2.197 0.302 1.980 1.00 0.00 H new ATOM 0 HB VAL A 68 4.989 -0.671 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.446 -2.424 2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.329 -0.796 3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.851 -1.679 3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.966 -2.781 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.350 -2.054 0.710 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.492 -1.413 -0.495 1.00 0.00 H new ATOM 1119 N PHE A 69 3.844 1.456 3.595 1.00 0.00 N ATOM 1120 CA PHE A 69 4.525 2.412 4.458 1.00 0.00 C ATOM 1121 C PHE A 69 5.034 1.732 5.721 1.00 0.00 C ATOM 1122 O PHE A 69 4.423 0.787 6.218 1.00 0.00 O ATOM 1123 CB PHE A 69 3.575 3.541 4.833 1.00 0.00 C ATOM 1124 CG PHE A 69 3.298 4.469 3.696 1.00 0.00 C ATOM 1125 CD1 PHE A 69 2.276 4.203 2.803 1.00 0.00 C ATOM 1126 CD2 PHE A 69 4.063 5.604 3.521 1.00 0.00 C ATOM 1127 CE1 PHE A 69 2.021 5.057 1.751 1.00 0.00 C ATOM 1128 CE2 PHE A 69 3.816 6.464 2.471 1.00 0.00 C ATOM 1129 CZ PHE A 69 2.791 6.192 1.583 1.00 0.00 C ATOM 0 H PHE A 69 3.299 0.754 4.095 1.00 0.00 H new ATOM 0 HA PHE A 69 5.377 2.819 3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.635 3.116 5.186 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.000 4.107 5.662 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.671 3.317 2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 69 4.863 5.821 4.213 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.221 4.839 1.059 1.00 0.00 H new ATOM 0 HE2 PHE A 69 4.422 7.349 2.343 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.593 6.864 0.761 1.00 0.00 H new ATOM 1139 N ALA A 70 6.162 2.212 6.231 1.00 0.00 N ATOM 1140 CA ALA A 70 6.763 1.641 7.434 1.00 0.00 C ATOM 1141 C ALA A 70 5.780 1.648 8.605 1.00 0.00 C ATOM 1142 O ALA A 70 5.033 2.610 8.788 1.00 0.00 O ATOM 1143 CB ALA A 70 8.027 2.404 7.802 1.00 0.00 C ATOM 0 H ALA A 70 6.680 2.995 5.832 1.00 0.00 H new ATOM 0 HA ALA A 70 7.022 0.604 7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 70 8.466 1.969 8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 70 8.742 2.341 6.982 1.00 0.00 H new ATOM 0 HB3 ALA A 70 7.780 3.449 7.988 1.00 0.00 H new ATOM 1149 N PRO A 71 5.778 0.573 9.424 1.00 0.00 N ATOM 1150 CA PRO A 71 4.895 0.459 10.593 1.00 0.00 C ATOM 1151 C PRO A 71 4.761 1.780 11.342 1.00 0.00 C ATOM 1152 O PRO A 71 3.716 2.082 11.919 1.00 0.00 O ATOM 1153 CB PRO A 71 5.611 -0.580 11.450 1.00 0.00 C ATOM 1154 CG PRO A 71 6.276 -1.475 10.462 1.00 0.00 C ATOM 1155 CD PRO A 71 6.654 -0.607 9.286 1.00 0.00 C ATOM 0 HA PRO A 71 3.874 0.186 10.325 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.337 -0.114 12.117 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.910 -1.131 12.077 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.158 -1.946 10.897 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.606 -2.277 10.153 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.708 -0.329 9.316 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.487 -1.121 8.339 1.00 0.00 H new ATOM 1163 N ASP A 72 5.831 2.562 11.314 1.00 0.00 N ATOM 1164 CA ASP A 72 5.859 3.859 11.970 1.00 0.00 C ATOM 1165 C ASP A 72 7.092 4.636 11.531 1.00 0.00 C ATOM 1166 O ASP A 72 7.680 5.387 12.309 1.00 0.00 O ATOM 1167 CB ASP A 72 5.850 3.690 13.490 1.00 0.00 C ATOM 1168 CG ASP A 72 4.633 4.323 14.135 1.00 0.00 C ATOM 1169 OD1 ASP A 72 4.401 5.530 13.911 1.00 0.00 O ATOM 1170 OD2 ASP A 72 3.911 3.613 14.867 1.00 0.00 O ATOM 0 H ASP A 72 6.699 2.316 10.838 1.00 0.00 H new ATOM 0 HA ASP A 72 4.968 4.417 11.682 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.877 2.628 13.735 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.753 4.136 13.908 1.00 0.00 H new ATOM 1175 N GLY A 73 7.485 4.438 10.273 1.00 0.00 N ATOM 1176 CA GLY A 73 8.657 5.117 9.742 1.00 0.00 C ATOM 1177 C GLY A 73 8.350 5.961 8.522 1.00 0.00 C ATOM 1178 O GLY A 73 7.727 7.018 8.629 1.00 0.00 O ATOM 0 H GLY A 73 7.013 3.820 9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 73 9.085 5.752 10.518 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.413 4.376 9.483 1.00 0.00 H new ATOM 1182 N SER A 74 8.800 5.498 7.358 1.00 0.00 N ATOM 1183 CA SER A 74 8.582 6.220 6.107 1.00 0.00 C ATOM 1184 C SER A 74 8.105 5.289 5.001 1.00 0.00 C ATOM 1185 O SER A 74 8.020 4.073 5.181 1.00 0.00 O ATOM 1186 CB SER A 74 9.869 6.923 5.673 1.00 0.00 C ATOM 1187 OG SER A 74 9.605 7.902 4.683 1.00 0.00 O ATOM 0 H SER A 74 9.318 4.625 7.255 1.00 0.00 H new ATOM 0 HA SER A 74 7.804 6.962 6.284 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.340 7.392 6.537 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.575 6.189 5.284 1.00 0.00 H new ATOM 0 HG SER A 74 10.443 8.339 4.423 1.00 0.00 H new ATOM 1193 N HIS A 75 7.793 5.881 3.857 1.00 0.00 N ATOM 1194 CA HIS A 75 7.317 5.143 2.697 1.00 0.00 C ATOM 1195 C HIS A 75 8.345 4.105 2.248 1.00 0.00 C ATOM 1196 O HIS A 75 9.520 4.422 2.066 1.00 0.00 O ATOM 1197 CB HIS A 75 7.028 6.128 1.565 1.00 0.00 C ATOM 1198 CG HIS A 75 6.299 5.535 0.400 1.00 0.00 C ATOM 1199 ND1 HIS A 75 5.165 4.791 0.365 1.00 0.00 N flip ATOM 1200 CD2 HIS A 75 6.689 5.694 -0.911 1.00 0.00 C flip ATOM 1201 CE1 HIS A 75 4.854 4.493 -0.958 1.00 0.00 C flip ATOM 1202 NE2 HIS A 75 5.797 5.059 -1.685 1.00 0.00 N flip ATOM 0 H HIS A 75 7.863 6.888 3.707 1.00 0.00 H new ATOM 0 HA HIS A 75 6.404 4.611 2.964 1.00 0.00 H new ATOM 0 HB2 HIS A 75 6.441 6.956 1.962 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.971 6.545 1.213 1.00 0.00 H new ATOM 0 HD1 HIS A 75 4.626 4.497 1.179 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.559 6.234 -1.255 1.00 0.00 H new ATOM 0 HE1 HIS A 75 4.013 3.917 -1.316 1.00 0.00 H new ATOM 1210 N ILE A 76 7.895 2.864 2.072 1.00 0.00 N ATOM 1211 CA ILE A 76 8.780 1.781 1.643 1.00 0.00 C ATOM 1212 C ILE A 76 8.594 1.479 0.159 1.00 0.00 C ATOM 1213 O ILE A 76 9.564 1.261 -0.566 1.00 0.00 O ATOM 1214 CB ILE A 76 8.535 0.491 2.459 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.748 0.753 3.948 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.448 -0.634 1.988 1.00 0.00 C ATOM 1217 CD1 ILE A 76 7.798 -0.021 4.832 1.00 0.00 C ATOM 0 H ILE A 76 6.926 2.583 2.219 1.00 0.00 H new ATOM 0 HA ILE A 76 9.802 2.118 1.818 1.00 0.00 H new ATOM 0 HB ILE A 76 7.502 0.183 2.300 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.773 0.493 4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.629 1.819 4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 76 9.256 -1.530 2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.254 -0.844 0.936 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.489 -0.334 2.112 1.00 0.00 H new ATOM 0 HD11 ILE A 76 8.003 0.211 5.877 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.771 0.256 4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 76 7.933 -1.089 4.664 1.00 0.00 H new ATOM 1229 N GLY A 77 7.341 1.462 -0.284 1.00 0.00 N ATOM 1230 CA GLY A 77 7.056 1.184 -1.680 1.00 0.00 C ATOM 1231 C GLY A 77 5.923 0.196 -1.861 1.00 0.00 C ATOM 1232 O GLY A 77 5.042 0.089 -1.010 1.00 0.00 O ATOM 0 H GLY A 77 6.520 1.635 0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.805 2.115 -2.187 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.954 0.792 -2.159 1.00 0.00 H new ATOM 1236 N GLY A 78 5.946 -0.518 -2.979 1.00 0.00 N ATOM 1237 CA GLY A 78 4.909 -1.495 -3.262 1.00 0.00 C ATOM 1238 C GLY A 78 5.342 -2.911 -2.927 1.00 0.00 C ATOM 1239 O GLY A 78 6.037 -3.134 -1.936 1.00 0.00 O ATOM 0 H GLY A 78 6.666 -0.439 -3.697 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.014 -1.247 -2.691 1.00 0.00 H new ATOM 0 HA3 GLY A 78 4.640 -1.440 -4.317 1.00 0.00 H new ATOM 1243 N PHE A 79 4.932 -3.870 -3.754 1.00 0.00 N ATOM 1244 CA PHE A 79 5.289 -5.267 -3.533 1.00 0.00 C ATOM 1245 C PHE A 79 6.778 -5.491 -3.777 1.00 0.00 C ATOM 1246 O PHE A 79 7.544 -5.717 -2.841 1.00 0.00 O ATOM 1247 CB PHE A 79 4.468 -6.182 -4.449 1.00 0.00 C ATOM 1248 CG PHE A 79 4.831 -7.636 -4.327 1.00 0.00 C ATOM 1249 CD1 PHE A 79 4.947 -8.236 -3.082 1.00 0.00 C ATOM 1250 CD2 PHE A 79 5.058 -8.403 -5.459 1.00 0.00 C ATOM 1251 CE1 PHE A 79 5.285 -9.572 -2.969 1.00 0.00 C ATOM 1252 CE2 PHE A 79 5.397 -9.739 -5.353 1.00 0.00 C ATOM 1253 CZ PHE A 79 5.509 -10.324 -4.106 1.00 0.00 C ATOM 0 H PHE A 79 4.355 -3.706 -4.579 1.00 0.00 H new ATOM 0 HA PHE A 79 5.065 -5.511 -2.495 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.410 -6.059 -4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.607 -5.867 -5.483 1.00 0.00 H new ATOM 0 HD1 PHE A 79 4.771 -7.653 -2.190 1.00 0.00 H new ATOM 0 HD2 PHE A 79 4.969 -7.951 -6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 79 5.374 -10.027 -1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.574 -10.324 -6.243 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.771 -11.368 -4.020 1.00 0.00 H new ATOM 1263 N ASP A 80 7.184 -5.419 -5.041 1.00 0.00 N ATOM 1264 CA ASP A 80 8.584 -5.609 -5.405 1.00 0.00 C ATOM 1265 C ASP A 80 9.464 -4.587 -4.695 1.00 0.00 C ATOM 1266 O ASP A 80 10.482 -4.937 -4.090 1.00 0.00 O ATOM 1267 CB ASP A 80 8.762 -5.487 -6.921 1.00 0.00 C ATOM 1268 CG ASP A 80 10.179 -5.796 -7.362 1.00 0.00 C ATOM 1269 OD1 ASP A 80 11.120 -5.195 -6.803 1.00 0.00 O ATOM 1270 OD2 ASP A 80 10.348 -6.641 -8.268 1.00 0.00 O ATOM 0 H ASP A 80 6.565 -5.231 -5.829 1.00 0.00 H new ATOM 0 HA ASP A 80 8.886 -6.609 -5.093 1.00 0.00 H new ATOM 0 HB2 ASP A 80 8.072 -6.167 -7.421 1.00 0.00 H new ATOM 0 HB3 ASP A 80 8.498 -4.477 -7.235 1.00 0.00 H new ATOM 1275 N GLN A 81 9.060 -3.322 -4.766 1.00 0.00 N ATOM 1276 CA GLN A 81 9.804 -2.245 -4.124 1.00 0.00 C ATOM 1277 C GLN A 81 10.065 -2.577 -2.662 1.00 0.00 C ATOM 1278 O GLN A 81 11.165 -2.364 -2.151 1.00 0.00 O ATOM 1279 CB GLN A 81 9.036 -0.926 -4.234 1.00 0.00 C ATOM 1280 CG GLN A 81 9.905 0.254 -4.633 1.00 0.00 C ATOM 1281 CD GLN A 81 9.140 1.302 -5.418 1.00 0.00 C ATOM 1282 OE1 GLN A 81 8.915 2.413 -4.939 1.00 0.00 O ATOM 1283 NE2 GLN A 81 8.736 0.951 -6.634 1.00 0.00 N ATOM 0 H GLN A 81 8.222 -3.018 -5.262 1.00 0.00 H new ATOM 0 HA GLN A 81 10.761 -2.137 -4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.236 -1.041 -4.966 1.00 0.00 H new ATOM 0 HB3 GLN A 81 8.563 -0.710 -3.276 1.00 0.00 H new ATOM 0 HG2 GLN A 81 10.325 0.711 -3.737 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.743 -0.103 -5.231 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.945 0.019 -6.991 1.00 0.00 H new ATOM 0 HE22 GLN A 81 8.217 1.614 -7.210 1.00 0.00 H new ATOM 1292 N LEU A 82 9.049 -3.112 -1.994 1.00 0.00 N ATOM 1293 CA LEU A 82 9.178 -3.483 -0.595 1.00 0.00 C ATOM 1294 C LEU A 82 9.890 -4.820 -0.448 1.00 0.00 C ATOM 1295 O LEU A 82 10.566 -5.059 0.550 1.00 0.00 O ATOM 1296 CB LEU A 82 7.824 -3.540 0.087 1.00 0.00 C ATOM 1297 CG LEU A 82 7.915 -3.920 1.556 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.953 -3.110 2.397 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.669 -5.401 1.720 1.00 0.00 C ATOM 0 H LEU A 82 8.131 -3.297 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 82 9.777 -2.713 -0.109 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.337 -2.569 -0.002 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.192 -4.262 -0.431 1.00 0.00 H new ATOM 0 HG LEU A 82 8.920 -3.691 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.044 -3.407 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.188 -2.050 2.299 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.933 -3.289 2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.736 -5.666 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.676 -5.648 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.418 -5.959 1.158 1.00 0.00 H new ATOM 1311 N ARG A 83 9.758 -5.686 -1.450 1.00 0.00 N ATOM 1312 CA ARG A 83 10.422 -6.988 -1.412 1.00 0.00 C ATOM 1313 C ARG A 83 11.898 -6.789 -1.100 1.00 0.00 C ATOM 1314 O ARG A 83 12.521 -7.610 -0.428 1.00 0.00 O ATOM 1315 CB ARG A 83 10.257 -7.721 -2.745 1.00 0.00 C ATOM 1316 CG ARG A 83 10.657 -9.187 -2.684 1.00 0.00 C ATOM 1317 CD ARG A 83 10.282 -9.921 -3.961 1.00 0.00 C ATOM 1318 NE ARG A 83 10.062 -11.347 -3.727 1.00 0.00 N ATOM 1319 CZ ARG A 83 9.416 -12.146 -4.573 1.00 0.00 C ATOM 1320 NH1 ARG A 83 8.923 -11.664 -5.708 1.00 0.00 N ATOM 1321 NH2 ARG A 83 9.259 -13.431 -4.283 1.00 0.00 N ATOM 0 H ARG A 83 9.204 -5.514 -2.289 1.00 0.00 H new ATOM 0 HA ARG A 83 9.963 -7.598 -0.634 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.217 -7.649 -3.064 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.858 -7.220 -3.503 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.732 -9.265 -2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.170 -9.663 -1.833 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.379 -9.479 -4.382 1.00 0.00 H new ATOM 0 HD3 ARG A 83 11.074 -9.792 -4.699 1.00 0.00 H new ATOM 0 HE ARG A 83 10.425 -11.754 -2.865 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.038 -10.676 -5.935 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.429 -12.281 -6.352 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.633 -13.807 -3.412 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.764 -14.043 -4.931 1.00 0.00 H new ATOM 1335 N GLU A 84 12.443 -5.667 -1.569 1.00 0.00 N ATOM 1336 CA GLU A 84 13.835 -5.337 -1.307 1.00 0.00 C ATOM 1337 C GLU A 84 14.020 -5.115 0.187 1.00 0.00 C ATOM 1338 O GLU A 84 15.045 -5.476 0.763 1.00 0.00 O ATOM 1339 CB GLU A 84 14.249 -4.086 -2.086 1.00 0.00 C ATOM 1340 CG GLU A 84 14.352 -4.308 -3.586 1.00 0.00 C ATOM 1341 CD GLU A 84 15.776 -4.556 -4.042 1.00 0.00 C ATOM 1342 OE1 GLU A 84 16.309 -5.647 -3.756 1.00 0.00 O ATOM 1343 OE2 GLU A 84 16.359 -3.656 -4.683 1.00 0.00 O ATOM 0 H GLU A 84 11.941 -4.977 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 84 14.468 -6.162 -1.635 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.526 -3.293 -1.894 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.212 -3.738 -1.712 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.731 -5.159 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.954 -3.437 -4.107 1.00 0.00 H new ATOM 1350 N TYR A 85 12.992 -4.544 0.812 1.00 0.00 N ATOM 1351 CA TYR A 85 13.001 -4.298 2.244 1.00 0.00 C ATOM 1352 C TYR A 85 13.079 -5.627 2.984 1.00 0.00 C ATOM 1353 O TYR A 85 13.701 -5.734 4.039 1.00 0.00 O ATOM 1354 CB TYR A 85 11.727 -3.544 2.637 1.00 0.00 C ATOM 1355 CG TYR A 85 11.753 -2.952 4.028 1.00 0.00 C ATOM 1356 CD1 TYR A 85 11.666 -3.762 5.152 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.848 -1.580 4.213 1.00 0.00 C ATOM 1358 CE1 TYR A 85 11.681 -3.222 6.422 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.863 -1.030 5.479 1.00 0.00 C ATOM 1360 CZ TYR A 85 11.777 -1.854 6.581 1.00 0.00 C ATOM 1361 OH TYR A 85 11.790 -1.312 7.845 1.00 0.00 O ATOM 0 H TYR A 85 12.139 -4.243 0.341 1.00 0.00 H new ATOM 0 HA TYR A 85 13.867 -3.693 2.512 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.558 -2.743 1.918 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.879 -4.225 2.561 1.00 0.00 H new ATOM 0 HD1 TYR A 85 11.585 -4.832 5.031 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.911 -0.931 3.352 1.00 0.00 H new ATOM 0 HE1 TYR A 85 11.618 -3.866 7.287 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.942 0.040 5.606 1.00 0.00 H new ATOM 0 HH TYR A 85 11.863 -0.337 7.782 1.00 0.00 H new ATOM 1371 N PHE A 86 12.445 -6.644 2.398 1.00 0.00 N ATOM 1372 CA PHE A 86 12.423 -7.988 2.968 1.00 0.00 C ATOM 1373 C PHE A 86 13.553 -8.853 2.412 1.00 0.00 C ATOM 1374 O PHE A 86 13.835 -9.930 2.937 1.00 0.00 O ATOM 1375 CB PHE A 86 11.067 -8.645 2.683 1.00 0.00 C ATOM 1376 CG PHE A 86 9.993 -8.219 3.642 1.00 0.00 C ATOM 1377 CD1 PHE A 86 10.236 -8.189 5.008 1.00 0.00 C ATOM 1378 CD2 PHE A 86 8.752 -7.821 3.180 1.00 0.00 C ATOM 1379 CE1 PHE A 86 9.257 -7.773 5.889 1.00 0.00 C ATOM 1380 CE2 PHE A 86 7.773 -7.400 4.057 1.00 0.00 C ATOM 1381 CZ PHE A 86 8.025 -7.375 5.411 1.00 0.00 C ATOM 0 H PHE A 86 11.935 -6.558 1.519 1.00 0.00 H new ATOM 0 HA PHE A 86 12.571 -7.903 4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.757 -8.399 1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.178 -9.728 2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 86 11.201 -8.494 5.386 1.00 0.00 H new ATOM 0 HD2 PHE A 86 8.546 -7.840 2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 86 9.455 -7.759 6.951 1.00 0.00 H new ATOM 0 HE2 PHE A 86 6.809 -7.090 3.682 1.00 0.00 H new ATOM 0 HZ PHE A 86 7.260 -7.044 6.098 1.00 0.00 H new ATOM 1391 N LYS A 87 14.200 -8.379 1.350 1.00 0.00 N ATOM 1392 CA LYS A 87 15.298 -9.117 0.734 1.00 0.00 C ATOM 1393 C LYS A 87 14.836 -10.493 0.266 1.00 0.00 C ATOM 1394 O LYS A 87 13.609 -10.689 0.129 1.00 0.00 O ATOM 1395 CB LYS A 87 16.458 -9.263 1.719 1.00 0.00 C ATOM 1396 CG LYS A 87 17.279 -7.994 1.886 1.00 0.00 C ATOM 1397 CD LYS A 87 18.739 -8.307 2.170 1.00 0.00 C ATOM 1398 CE LYS A 87 18.934 -8.815 3.590 1.00 0.00 C ATOM 1399 NZ LYS A 87 19.420 -7.743 4.501 1.00 0.00 N ATOM 1400 OXT LYS A 87 15.703 -11.363 0.041 1.00 0.00 O ATOM 0 H LYS A 87 13.983 -7.490 0.900 1.00 0.00 H new ATOM 0 HA LYS A 87 15.637 -8.554 -0.135 1.00 0.00 H new ATOM 0 HB2 LYS A 87 16.063 -9.561 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 87 17.112 -10.067 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 87 17.205 -7.390 0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 87 16.868 -7.399 2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 87 19.096 -9.055 1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 87 19.341 -7.411 2.017 1.00 0.00 H new ATOM 0 HE2 LYS A 87 17.991 -9.211 3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 87 19.647 -9.639 3.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 19.540 -8.130 5.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 20.332 -7.382 4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 18.727 -6.967 4.525 1.00 0.00 H new TER 1414 LYS A 87