USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 568 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 23 ASN : amide:sc= 0.586 K(o=0.97,f=-0.39) USER MOD Set 1.2: A 37 MET CE :methyl 169:sc= -0.627 (180deg=-0.653) USER MOD Set 1.3: A 84 TYR OH : rot -139:sc= 1.02 USER MOD Set 2.1: A 35 HIS : no HE2:sc= -0.296 K(o=-0.13,f=-4.4!) USER MOD Set 2.2: A 74 ASN : amide:sc= 0.17 X(o=-0.13,f=0.31) USER MOD Set 3.1: A 51 THR OG1 : rot 180:sc= 0.632 USER MOD Set 3.2: A 64 THR OG1 : rot -70:sc= 0.706 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 154:sc= -0.0598 (180deg=-1.54) USER MOD Single : A 9 LYS NZ :NH3+ -140:sc= 1.21 (180deg=-0.162) USER MOD Single : A 10 ASN : amide:sc= -0.747 K(o=-0.75,f=-5.3!) USER MOD Single : A 14 ASN : amide:sc= -0.0876 K(o=-0.088,f=-1) USER MOD Single : A 15 THR OG1 : rot -21:sc= 1.09 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 172:sc=-0.00613 (180deg=-0.104) USER MOD Single : A 22 GLN : amide:sc= 0.234 K(o=0.23,f=-4.3!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 174:sc= 1.82 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 MET CE :methyl -168:sc= -0.0651 (180deg=-0.305) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.013 USER MOD Single : A 76 ASN : amide:sc= 0.0353 K(o=0.035,f=-6.6!) USER MOD Single : A 77 THR OG1 : rot -25:sc= 0.399 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 97:sc= 1.47 USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 4 9.887 -3.163 -7.580 1.00 0.00 N ATOM 27 CA TYR A 4 9.675 -2.703 -6.210 1.00 0.00 C ATOM 28 C TYR A 4 8.179 -2.441 -6.027 1.00 0.00 C ATOM 29 O TYR A 4 7.414 -2.488 -6.994 1.00 0.00 O ATOM 30 CB TYR A 4 10.408 -1.379 -5.928 1.00 0.00 C ATOM 31 CG TYR A 4 10.235 -0.306 -6.987 1.00 0.00 C ATOM 32 CD1 TYR A 4 11.013 -0.299 -8.160 1.00 0.00 C ATOM 33 CD2 TYR A 4 9.239 0.675 -6.805 1.00 0.00 C ATOM 34 CE1 TYR A 4 10.772 0.668 -9.154 1.00 0.00 C ATOM 35 CE2 TYR A 4 9.020 1.654 -7.787 1.00 0.00 C ATOM 36 CZ TYR A 4 9.803 1.664 -8.951 1.00 0.00 C ATOM 37 OH TYR A 4 9.595 2.622 -9.895 1.00 0.00 O ATOM 0 HA TYR A 4 10.055 -3.467 -5.532 1.00 0.00 H new ATOM 0 HB2 TYR A 4 10.058 -0.985 -4.974 1.00 0.00 H new ATOM 0 HB3 TYR A 4 11.472 -1.588 -5.816 1.00 0.00 H new ATOM 0 HD1 TYR A 4 11.793 -1.034 -8.297 1.00 0.00 H new ATOM 0 HD2 TYR A 4 8.641 0.673 -5.905 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.334 0.644 -10.076 1.00 0.00 H new ATOM 0 HE2 TYR A 4 8.250 2.398 -7.647 1.00 0.00 H new ATOM 0 HH TYR A 4 8.888 3.230 -9.593 1.00 0.00 H new ATOM 47 N LEU A 5 7.791 -2.044 -4.815 1.00 0.00 N ATOM 48 CA LEU A 5 6.466 -1.520 -4.510 1.00 0.00 C ATOM 49 C LEU A 5 6.540 -0.692 -3.225 1.00 0.00 C ATOM 50 O LEU A 5 6.795 -1.247 -2.153 1.00 0.00 O ATOM 51 CB LEU A 5 5.456 -2.675 -4.434 1.00 0.00 C ATOM 52 CG LEU A 5 4.010 -2.194 -4.229 1.00 0.00 C ATOM 53 CD1 LEU A 5 3.036 -3.053 -5.047 1.00 0.00 C ATOM 54 CD2 LEU A 5 3.600 -2.251 -2.755 1.00 0.00 C ATOM 0 H LEU A 5 8.406 -2.080 -4.002 1.00 0.00 H new ATOM 0 HA LEU A 5 6.117 -0.856 -5.301 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.512 -3.261 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.732 -3.339 -3.615 1.00 0.00 H new ATOM 0 HG LEU A 5 3.967 -1.158 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.017 -2.698 -4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.286 -2.979 -6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.111 -4.093 -4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.572 -1.904 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.675 -3.277 -2.396 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.261 -1.613 -2.169 1.00 0.00 H new ATOM 66 N ILE A 6 6.362 0.628 -3.337 1.00 0.00 N ATOM 67 CA ILE A 6 6.528 1.574 -2.239 1.00 0.00 C ATOM 68 C ILE A 6 5.238 2.337 -1.968 1.00 0.00 C ATOM 69 O ILE A 6 4.337 2.388 -2.807 1.00 0.00 O ATOM 70 CB ILE A 6 7.656 2.577 -2.541 1.00 0.00 C ATOM 71 CG1 ILE A 6 7.420 3.320 -3.868 1.00 0.00 C ATOM 72 CG2 ILE A 6 9.014 1.880 -2.504 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.512 4.343 -4.157 1.00 0.00 C ATOM 0 H ILE A 6 6.093 1.074 -4.214 1.00 0.00 H new ATOM 0 HA ILE A 6 6.790 0.995 -1.353 1.00 0.00 H new ATOM 0 HB ILE A 6 7.652 3.338 -1.760 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.376 2.598 -4.684 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.453 3.823 -3.834 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.800 2.603 -2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.176 1.452 -1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.036 1.087 -3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.302 4.842 -5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.540 5.082 -3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.476 3.838 -4.219 1.00 0.00 H new ATOM 85 N MET A 7 5.188 2.947 -0.788 1.00 0.00 N ATOM 86 CA MET A 7 4.240 3.980 -0.420 1.00 0.00 C ATOM 87 C MET A 7 4.906 5.338 -0.670 1.00 0.00 C ATOM 88 O MET A 7 6.132 5.427 -0.615 1.00 0.00 O ATOM 89 CB MET A 7 3.847 3.802 1.052 1.00 0.00 C ATOM 90 CG MET A 7 5.045 3.594 1.989 1.00 0.00 C ATOM 91 SD MET A 7 5.526 1.875 2.328 1.00 0.00 S ATOM 92 CE MET A 7 4.703 1.602 3.915 1.00 0.00 C ATOM 0 H MET A 7 5.837 2.722 -0.034 1.00 0.00 H new ATOM 0 HA MET A 7 3.328 3.917 -1.014 1.00 0.00 H new ATOM 0 HB2 MET A 7 3.289 4.680 1.379 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.176 2.947 1.139 1.00 0.00 H new ATOM 0 HG2 MET A 7 5.905 4.110 1.562 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.822 4.079 2.939 1.00 0.00 H new ATOM 0 HE1 MET A 7 4.498 0.539 4.040 1.00 0.00 H new ATOM 0 HE2 MET A 7 5.349 1.945 4.723 1.00 0.00 H new ATOM 0 HE3 MET A 7 3.765 2.157 3.939 1.00 0.00 H new ATOM 102 N CYS A 8 4.129 6.383 -0.951 1.00 0.00 N ATOM 103 CA CYS A 8 4.648 7.727 -1.181 1.00 0.00 C ATOM 104 C CYS A 8 3.689 8.757 -0.595 1.00 0.00 C ATOM 105 O CYS A 8 2.536 8.448 -0.294 1.00 0.00 O ATOM 106 CB CYS A 8 4.773 8.002 -2.683 1.00 0.00 C ATOM 107 SG CYS A 8 6.216 7.368 -3.561 1.00 0.00 S ATOM 0 H CYS A 8 3.114 6.318 -1.026 1.00 0.00 H new ATOM 0 HA CYS A 8 5.627 7.799 -0.706 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.886 7.596 -3.169 1.00 0.00 H new ATOM 0 HB3 CYS A 8 4.748 9.082 -2.825 1.00 0.00 H new ATOM 112 N LYS A 9 4.159 10.001 -0.458 1.00 0.00 N ATOM 113 CA LYS A 9 3.343 11.135 -0.036 1.00 0.00 C ATOM 114 C LYS A 9 2.486 11.694 -1.173 1.00 0.00 C ATOM 115 O LYS A 9 1.506 12.391 -0.932 1.00 0.00 O ATOM 116 CB LYS A 9 4.244 12.229 0.540 1.00 0.00 C ATOM 117 CG LYS A 9 4.984 11.692 1.765 1.00 0.00 C ATOM 118 CD LYS A 9 5.749 12.819 2.460 1.00 0.00 C ATOM 119 CE LYS A 9 6.448 12.261 3.705 1.00 0.00 C ATOM 120 NZ LYS A 9 7.622 11.439 3.362 1.00 0.00 N ATOM 0 H LYS A 9 5.132 10.248 -0.641 1.00 0.00 H new ATOM 0 HA LYS A 9 2.655 10.780 0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.959 12.559 -0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.647 13.098 0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.274 11.243 2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.676 10.905 1.464 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.483 13.250 1.779 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.065 13.620 2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.759 13.086 4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.741 11.661 4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.659 10.608 3.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.549 11.126 2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.488 12.002 3.484 1.00 0.00 H new ATOM 134 N ASN A 10 2.876 11.437 -2.417 1.00 0.00 N ATOM 135 CA ASN A 10 2.207 11.948 -3.603 1.00 0.00 C ATOM 136 C ASN A 10 2.549 11.009 -4.742 1.00 0.00 C ATOM 137 O ASN A 10 3.385 10.120 -4.584 1.00 0.00 O ATOM 138 CB ASN A 10 2.591 13.401 -3.911 1.00 0.00 C ATOM 139 CG ASN A 10 4.025 13.720 -3.549 1.00 0.00 C ATOM 140 OD1 ASN A 10 4.945 13.362 -4.272 1.00 0.00 O ATOM 141 ND2 ASN A 10 4.236 14.385 -2.419 1.00 0.00 N ATOM 0 H ASN A 10 3.685 10.854 -2.631 1.00 0.00 H new ATOM 0 HA ASN A 10 1.129 11.976 -3.445 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.438 13.595 -4.973 1.00 0.00 H new ATOM 0 HB3 ASN A 10 1.926 14.071 -3.365 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.188 14.612 -2.131 1.00 0.00 H new ATOM 0 HD22 ASN A 10 3.446 14.669 -1.839 1.00 0.00 H new ATOM 148 N CYS A 11 1.910 11.203 -5.889 1.00 0.00 N ATOM 149 CA CYS A 11 2.037 10.354 -7.069 1.00 0.00 C ATOM 150 C CYS A 11 3.418 10.442 -7.728 1.00 0.00 C ATOM 151 O CYS A 11 3.643 9.835 -8.773 1.00 0.00 O ATOM 152 CB CYS A 11 0.963 10.806 -8.062 1.00 0.00 C ATOM 153 SG CYS A 11 0.602 9.729 -9.464 1.00 0.00 S ATOM 0 H CYS A 11 1.267 11.982 -6.029 1.00 0.00 H new ATOM 0 HA CYS A 11 1.912 9.314 -6.769 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.036 10.955 -7.508 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.259 11.779 -8.455 1.00 0.00 H new ATOM 158 N ASP A 12 4.345 11.194 -7.127 1.00 0.00 N ATOM 159 CA ASP A 12 5.672 11.477 -7.650 1.00 0.00 C ATOM 160 C ASP A 12 6.725 10.650 -6.888 1.00 0.00 C ATOM 161 O ASP A 12 7.121 11.031 -5.785 1.00 0.00 O ATOM 162 CB ASP A 12 5.921 12.989 -7.515 1.00 0.00 C ATOM 163 CG ASP A 12 7.216 13.426 -8.156 1.00 0.00 C ATOM 164 OD1 ASP A 12 8.192 12.652 -8.087 1.00 0.00 O ATOM 165 OD2 ASP A 12 7.232 14.534 -8.733 1.00 0.00 O ATOM 0 H ASP A 12 4.177 11.638 -6.224 1.00 0.00 H new ATOM 0 HA ASP A 12 5.747 11.197 -8.701 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.093 13.532 -7.972 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.934 13.258 -6.459 1.00 0.00 H new ATOM 170 N PRO A 13 7.208 9.519 -7.427 1.00 0.00 N ATOM 171 CA PRO A 13 8.254 8.730 -6.788 1.00 0.00 C ATOM 172 C PRO A 13 9.610 9.434 -6.817 1.00 0.00 C ATOM 173 O PRO A 13 10.521 9.045 -6.080 1.00 0.00 O ATOM 174 CB PRO A 13 8.339 7.415 -7.567 1.00 0.00 C ATOM 175 CG PRO A 13 7.759 7.770 -8.937 1.00 0.00 C ATOM 176 CD PRO A 13 6.766 8.897 -8.660 1.00 0.00 C ATOM 0 HA PRO A 13 8.009 8.575 -5.737 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.367 7.062 -7.646 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.767 6.624 -7.082 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.540 8.091 -9.626 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.266 6.911 -9.392 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.753 9.617 -9.478 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.752 8.509 -8.561 1.00 0.00 H new ATOM 184 N ASN A 14 9.784 10.411 -7.707 1.00 0.00 N ATOM 185 CA ASN A 14 11.039 11.116 -7.876 1.00 0.00 C ATOM 186 C ASN A 14 11.287 12.008 -6.673 1.00 0.00 C ATOM 187 O ASN A 14 12.365 11.954 -6.083 1.00 0.00 O ATOM 188 CB ASN A 14 11.060 11.908 -9.185 1.00 0.00 C ATOM 189 CG ASN A 14 12.459 12.429 -9.468 1.00 0.00 C ATOM 190 OD1 ASN A 14 12.971 13.302 -8.770 1.00 0.00 O ATOM 191 ND2 ASN A 14 13.125 11.884 -10.475 1.00 0.00 N ATOM 0 H ASN A 14 9.046 10.733 -8.333 1.00 0.00 H new ATOM 0 HA ASN A 14 11.848 10.389 -7.939 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.729 11.273 -10.007 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.360 12.742 -9.124 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.077 12.188 -10.681 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.686 11.161 -11.045 1.00 0.00 H new ATOM 198 N THR A 15 10.294 12.801 -6.280 1.00 0.00 N ATOM 199 CA THR A 15 10.432 13.785 -5.213 1.00 0.00 C ATOM 200 C THR A 15 9.347 13.653 -4.137 1.00 0.00 C ATOM 201 O THR A 15 9.154 14.548 -3.317 1.00 0.00 O ATOM 202 CB THR A 15 10.600 15.188 -5.833 1.00 0.00 C ATOM 203 OG1 THR A 15 10.604 16.192 -4.843 1.00 0.00 O ATOM 204 CG2 THR A 15 9.535 15.540 -6.870 1.00 0.00 C ATOM 0 H THR A 15 9.364 12.778 -6.697 1.00 0.00 H new ATOM 0 HA THR A 15 11.342 13.590 -4.646 1.00 0.00 H new ATOM 0 HB THR A 15 11.563 15.148 -6.343 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.172 15.853 -4.032 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.722 16.541 -7.259 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.572 14.820 -7.688 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.550 15.510 -6.404 1.00 0.00 H new ATOM 212 N GLY A 16 8.628 12.539 -4.062 1.00 0.00 N ATOM 213 CA GLY A 16 7.646 12.345 -2.999 1.00 0.00 C ATOM 214 C GLY A 16 8.289 12.304 -1.614 1.00 0.00 C ATOM 215 O GLY A 16 7.644 12.656 -0.630 1.00 0.00 O ATOM 0 H GLY A 16 8.704 11.762 -4.718 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.913 13.151 -3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.105 11.415 -3.173 1.00 0.00 H new ATOM 219 N SER A 17 9.551 11.872 -1.529 1.00 0.00 N ATOM 220 CA SER A 17 10.159 11.366 -0.307 1.00 0.00 C ATOM 221 C SER A 17 9.272 10.232 0.202 1.00 0.00 C ATOM 222 O SER A 17 8.284 10.440 0.912 1.00 0.00 O ATOM 223 CB SER A 17 10.336 12.473 0.734 1.00 0.00 C ATOM 224 OG SER A 17 10.912 13.630 0.148 1.00 0.00 O ATOM 0 H SER A 17 10.186 11.867 -2.327 1.00 0.00 H new ATOM 0 HA SER A 17 11.163 10.992 -0.505 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.370 12.724 1.172 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.971 12.117 1.546 1.00 0.00 H new ATOM 0 HG SER A 17 11.015 14.326 0.830 1.00 0.00 H new ATOM 230 N CYS A 18 9.635 9.029 -0.208 1.00 0.00 N ATOM 231 CA CYS A 18 8.785 7.861 -0.221 1.00 0.00 C ATOM 232 C CYS A 18 9.531 6.788 0.533 1.00 0.00 C ATOM 233 O CYS A 18 10.751 6.700 0.385 1.00 0.00 O ATOM 234 CB CYS A 18 8.631 7.401 -1.665 1.00 0.00 C ATOM 235 SG CYS A 18 7.782 8.516 -2.796 1.00 0.00 S ATOM 0 H CYS A 18 10.574 8.836 -0.556 1.00 0.00 H new ATOM 0 HA CYS A 18 7.808 8.065 0.216 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.626 7.206 -2.066 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.097 6.451 -1.662 1.00 0.00 H new ATOM 240 N ASP A 19 8.851 5.969 1.328 1.00 0.00 N ATOM 241 CA ASP A 19 9.550 4.954 2.085 1.00 0.00 C ATOM 242 C ASP A 19 9.755 3.696 1.237 1.00 0.00 C ATOM 243 O ASP A 19 8.888 2.832 1.117 1.00 0.00 O ATOM 244 CB ASP A 19 8.967 4.741 3.487 1.00 0.00 C ATOM 245 CG ASP A 19 7.468 4.774 3.631 1.00 0.00 C ATOM 246 OD1 ASP A 19 6.842 5.757 3.183 1.00 0.00 O ATOM 247 OD2 ASP A 19 6.951 3.902 4.355 1.00 0.00 O ATOM 0 H ASP A 19 7.840 5.991 1.459 1.00 0.00 H new ATOM 0 HA ASP A 19 10.555 5.311 2.309 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.319 3.777 3.854 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.385 5.504 4.144 1.00 0.00 H new ATOM 252 N TRP A 20 10.990 3.545 0.748 1.00 0.00 N ATOM 253 CA TRP A 20 11.540 2.389 0.050 1.00 0.00 C ATOM 254 C TRP A 20 11.990 1.385 1.113 1.00 0.00 C ATOM 255 O TRP A 20 13.097 0.852 1.081 1.00 0.00 O ATOM 256 CB TRP A 20 12.721 2.847 -0.825 1.00 0.00 C ATOM 257 CG TRP A 20 12.414 3.827 -1.923 1.00 0.00 C ATOM 258 CD1 TRP A 20 12.348 5.170 -1.794 1.00 0.00 C ATOM 259 CD2 TRP A 20 12.165 3.564 -3.336 1.00 0.00 C ATOM 260 NE1 TRP A 20 12.023 5.747 -3.003 1.00 0.00 N ATOM 261 CE2 TRP A 20 11.910 4.803 -4.000 1.00 0.00 C ATOM 262 CE3 TRP A 20 12.102 2.392 -4.115 1.00 0.00 C ATOM 263 CZ2 TRP A 20 11.598 4.873 -5.369 1.00 0.00 C ATOM 264 CZ3 TRP A 20 11.874 2.459 -5.502 1.00 0.00 C ATOM 265 CH2 TRP A 20 11.594 3.690 -6.125 1.00 0.00 C ATOM 0 H TRP A 20 11.682 4.289 0.840 1.00 0.00 H new ATOM 0 HA TRP A 20 10.803 1.921 -0.602 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.473 3.292 -0.174 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.172 1.963 -1.276 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.524 5.713 -0.877 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.884 6.748 -3.142 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.230 1.430 -3.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.365 5.821 -5.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 11.914 1.557 -6.095 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.377 3.724 -7.182 1.00 0.00 H new ATOM 276 N LYS A 21 11.105 1.146 2.073 1.00 0.00 N ATOM 277 CA LYS A 21 11.260 0.194 3.157 1.00 0.00 C ATOM 278 C LYS A 21 10.560 -1.107 2.780 1.00 0.00 C ATOM 279 O LYS A 21 9.906 -1.200 1.736 1.00 0.00 O ATOM 280 CB LYS A 21 10.700 0.816 4.448 1.00 0.00 C ATOM 281 CG LYS A 21 11.796 1.127 5.475 1.00 0.00 C ATOM 282 CD LYS A 21 12.820 2.131 4.919 1.00 0.00 C ATOM 283 CE LYS A 21 13.876 2.542 5.953 1.00 0.00 C ATOM 284 NZ LYS A 21 14.472 1.392 6.662 1.00 0.00 N ATOM 0 H LYS A 21 10.213 1.640 2.115 1.00 0.00 H new ATOM 0 HA LYS A 21 12.310 -0.040 3.332 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.166 1.734 4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.975 0.134 4.891 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.344 1.531 6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.305 0.205 5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.317 1.693 4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.296 3.020 4.569 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.666 3.102 5.453 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.421 3.214 6.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 15.268 1.719 7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.754 0.950 7.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.813 0.696 5.969 1.00 0.00 H new ATOM 298 N GLN A 22 10.744 -2.139 3.596 1.00 0.00 N ATOM 299 CA GLN A 22 10.100 -3.421 3.403 1.00 0.00 C ATOM 300 C GLN A 22 8.667 -3.293 3.913 1.00 0.00 C ATOM 301 O GLN A 22 8.411 -2.558 4.865 1.00 0.00 O ATOM 302 CB GLN A 22 10.875 -4.474 4.182 1.00 0.00 C ATOM 303 CG GLN A 22 10.478 -5.918 3.859 1.00 0.00 C ATOM 304 CD GLN A 22 9.908 -6.608 5.090 1.00 0.00 C ATOM 305 OE1 GLN A 22 8.729 -6.944 5.118 1.00 0.00 O ATOM 306 NE2 GLN A 22 10.726 -6.779 6.121 1.00 0.00 N ATOM 0 H GLN A 22 11.351 -2.103 4.415 1.00 0.00 H new ATOM 0 HA GLN A 22 10.084 -3.718 2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.939 -4.348 3.980 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.730 -4.300 5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.740 -5.927 3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.348 -6.467 3.498 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.700 -6.484 6.053 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.381 -7.205 6.981 1.00 0.00 H new ATOM 315 N ASN A 23 7.738 -3.964 3.247 1.00 0.00 N ATOM 316 CA ASN A 23 6.313 -3.907 3.569 1.00 0.00 C ATOM 317 C ASN A 23 5.601 -5.237 3.299 1.00 0.00 C ATOM 318 O ASN A 23 4.405 -5.276 3.007 1.00 0.00 O ATOM 319 CB ASN A 23 5.663 -2.697 2.879 1.00 0.00 C ATOM 320 CG ASN A 23 5.696 -2.748 1.347 1.00 0.00 C ATOM 321 OD1 ASN A 23 5.245 -3.697 0.716 1.00 0.00 O ATOM 322 ND2 ASN A 23 6.284 -1.736 0.707 1.00 0.00 N ATOM 0 H ASN A 23 7.952 -4.572 2.457 1.00 0.00 H new ATOM 0 HA ASN A 23 6.202 -3.755 4.643 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.626 -2.622 3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.168 -1.790 3.211 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.359 -1.751 -0.310 1.00 0.00 H new ATOM 0 HD22 ASN A 23 6.658 -0.948 1.235 1.00 0.00 H new ATOM 329 N TRP A 24 6.342 -6.346 3.373 1.00 0.00 N ATOM 330 CA TRP A 24 5.852 -7.672 3.060 1.00 0.00 C ATOM 331 C TRP A 24 5.515 -8.407 4.348 1.00 0.00 C ATOM 332 O TRP A 24 6.420 -8.721 5.112 1.00 0.00 O ATOM 333 CB TRP A 24 6.964 -8.413 2.318 1.00 0.00 C ATOM 334 CG TRP A 24 6.869 -8.327 0.835 1.00 0.00 C ATOM 335 CD1 TRP A 24 7.820 -7.854 0.003 1.00 0.00 C ATOM 336 CD2 TRP A 24 5.777 -8.782 -0.012 1.00 0.00 C ATOM 337 NE1 TRP A 24 7.390 -7.992 -1.301 1.00 0.00 N ATOM 338 CE2 TRP A 24 6.137 -8.561 -1.371 1.00 0.00 C ATOM 339 CE3 TRP A 24 4.526 -9.380 0.238 1.00 0.00 C ATOM 340 CZ2 TRP A 24 5.307 -8.938 -2.435 1.00 0.00 C ATOM 341 CZ3 TRP A 24 3.673 -9.737 -0.818 1.00 0.00 C ATOM 342 CH2 TRP A 24 4.074 -9.544 -2.153 1.00 0.00 C ATOM 0 H TRP A 24 7.321 -6.336 3.660 1.00 0.00 H new ATOM 0 HA TRP A 24 4.954 -7.616 2.445 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.927 -8.011 2.633 1.00 0.00 H new ATOM 0 HB3 TRP A 24 6.945 -9.462 2.612 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.767 -7.434 0.309 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.934 -7.707 -2.115 1.00 0.00 H new ATOM 0 HE3 TRP A 24 4.219 -9.566 1.257 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.612 -8.765 -3.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.703 -10.162 -0.605 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.432 -9.863 -2.961 1.00 0.00 H new ATOM 353 N ASN A 25 4.243 -8.727 4.589 1.00 0.00 N ATOM 354 CA ASN A 25 3.860 -9.544 5.742 1.00 0.00 C ATOM 355 C ASN A 25 4.489 -8.980 7.020 1.00 0.00 C ATOM 356 O ASN A 25 5.200 -9.668 7.748 1.00 0.00 O ATOM 357 CB ASN A 25 4.232 -11.023 5.516 1.00 0.00 C ATOM 358 CG ASN A 25 3.125 -11.765 4.783 1.00 0.00 C ATOM 359 OD1 ASN A 25 2.135 -12.162 5.391 1.00 0.00 O ATOM 360 ND2 ASN A 25 3.263 -11.964 3.480 1.00 0.00 N ATOM 0 H ASN A 25 3.462 -8.434 4.003 1.00 0.00 H new ATOM 0 HA ASN A 25 2.777 -9.505 5.860 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.156 -11.084 4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.421 -11.504 6.476 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.537 -12.457 2.960 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.095 -11.624 2.998 1.00 0.00 H new ATOM 367 N THR A 26 4.265 -7.696 7.286 1.00 0.00 N ATOM 368 CA THR A 26 4.709 -7.043 8.500 1.00 0.00 C ATOM 369 C THR A 26 3.701 -5.960 8.848 1.00 0.00 C ATOM 370 O THR A 26 3.183 -5.276 7.966 1.00 0.00 O ATOM 371 CB THR A 26 6.137 -6.498 8.361 1.00 0.00 C ATOM 372 OG1 THR A 26 6.431 -5.673 9.470 1.00 0.00 O ATOM 373 CG2 THR A 26 6.387 -5.726 7.061 1.00 0.00 C ATOM 0 H THR A 26 3.762 -7.076 6.651 1.00 0.00 H new ATOM 0 HA THR A 26 4.755 -7.763 9.317 1.00 0.00 H new ATOM 0 HB THR A 26 6.798 -7.364 8.329 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.343 -5.324 9.386 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.418 -5.374 7.039 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.209 -6.382 6.209 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.711 -4.872 7.009 1.00 0.00 H new ATOM 381 N CYS A 27 3.394 -5.854 10.133 1.00 0.00 N ATOM 382 CA CYS A 27 2.547 -4.830 10.710 1.00 0.00 C ATOM 383 C CYS A 27 3.267 -3.487 10.583 1.00 0.00 C ATOM 384 O CYS A 27 4.214 -3.248 11.332 1.00 0.00 O ATOM 385 CB CYS A 27 2.308 -5.189 12.179 1.00 0.00 C ATOM 386 SG CYS A 27 0.959 -4.323 12.988 1.00 0.00 S ATOM 0 H CYS A 27 3.746 -6.511 10.829 1.00 0.00 H new ATOM 0 HA CYS A 27 1.586 -4.763 10.199 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.118 -6.260 12.245 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.225 -4.993 12.735 1.00 0.00 H new ATOM 391 N VAL A 28 2.919 -2.670 9.584 1.00 0.00 N ATOM 392 CA VAL A 28 3.583 -1.396 9.318 1.00 0.00 C ATOM 393 C VAL A 28 2.536 -0.292 9.200 1.00 0.00 C ATOM 394 O VAL A 28 1.675 -0.320 8.315 1.00 0.00 O ATOM 395 CB VAL A 28 4.461 -1.487 8.055 1.00 0.00 C ATOM 396 CG1 VAL A 28 5.017 -0.120 7.626 1.00 0.00 C ATOM 397 CG2 VAL A 28 5.647 -2.426 8.305 1.00 0.00 C ATOM 0 H VAL A 28 2.162 -2.879 8.933 1.00 0.00 H new ATOM 0 HA VAL A 28 4.246 -1.155 10.149 1.00 0.00 H new ATOM 0 HB VAL A 28 3.821 -1.867 7.259 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.628 -0.240 6.732 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.191 0.558 7.412 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.627 0.293 8.429 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.261 -2.483 7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.247 -2.043 9.131 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.277 -3.420 8.556 1.00 0.00 H new ATOM 407 N GLY A 29 2.637 0.687 10.091 1.00 0.00 N ATOM 408 CA GLY A 29 1.867 1.906 10.092 1.00 0.00 C ATOM 409 C GLY A 29 2.293 2.830 8.954 1.00 0.00 C ATOM 410 O GLY A 29 3.483 3.064 8.730 1.00 0.00 O ATOM 0 H GLY A 29 3.295 0.641 10.869 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.807 1.670 9.995 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.993 2.418 11.046 1.00 0.00 H new ATOM 414 N ILE A 30 1.304 3.386 8.269 1.00 0.00 N ATOM 415 CA ILE A 30 1.413 4.469 7.308 1.00 0.00 C ATOM 416 C ILE A 30 1.398 5.777 8.107 1.00 0.00 C ATOM 417 O ILE A 30 0.896 5.810 9.237 1.00 0.00 O ATOM 418 CB ILE A 30 0.186 4.412 6.365 1.00 0.00 C ATOM 419 CG1 ILE A 30 -0.002 3.040 5.690 1.00 0.00 C ATOM 420 CG2 ILE A 30 0.295 5.469 5.264 1.00 0.00 C ATOM 421 CD1 ILE A 30 -1.435 2.870 5.166 1.00 0.00 C ATOM 0 H ILE A 30 0.341 3.070 8.379 1.00 0.00 H new ATOM 0 HA ILE A 30 2.323 4.396 6.712 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.677 4.602 7.003 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.704 2.938 4.866 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.224 2.247 6.403 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.578 5.409 4.614 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.345 6.460 5.715 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.196 5.292 4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.537 1.892 4.695 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.137 2.948 5.996 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.650 3.649 4.435 1.00 0.00 H new ATOM 433 N GLY A 31 1.884 6.874 7.532 1.00 0.00 N ATOM 434 CA GLY A 31 1.597 8.185 8.079 1.00 0.00 C ATOM 435 C GLY A 31 2.250 9.317 7.304 1.00 0.00 C ATOM 436 O GLY A 31 3.180 9.097 6.534 1.00 0.00 O ATOM 0 H GLY A 31 2.471 6.876 6.698 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.518 8.338 8.091 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.935 8.221 9.115 1.00 0.00 H new ATOM 440 N ALA A 32 1.763 10.526 7.567 1.00 0.00 N ATOM 441 CA ALA A 32 2.346 11.806 7.201 1.00 0.00 C ATOM 442 C ALA A 32 2.294 12.106 5.708 1.00 0.00 C ATOM 443 O ALA A 32 3.308 12.056 5.010 1.00 0.00 O ATOM 444 CB ALA A 32 3.741 11.965 7.821 1.00 0.00 C ATOM 0 H ALA A 32 0.888 10.641 8.078 1.00 0.00 H new ATOM 0 HA ALA A 32 1.713 12.581 7.634 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.159 12.930 7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.665 11.911 8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.391 11.167 7.463 1.00 0.00 H new ATOM 450 N ASN A 33 1.092 12.451 5.239 1.00 0.00 N ATOM 451 CA ASN A 33 0.715 12.706 3.848 1.00 0.00 C ATOM 452 C ASN A 33 0.775 11.422 3.023 1.00 0.00 C ATOM 453 O ASN A 33 0.504 11.446 1.827 1.00 0.00 O ATOM 454 CB ASN A 33 1.543 13.825 3.180 1.00 0.00 C ATOM 455 CG ASN A 33 1.132 15.225 3.620 1.00 0.00 C ATOM 456 OD1 ASN A 33 0.333 15.886 2.962 1.00 0.00 O ATOM 457 ND2 ASN A 33 1.688 15.740 4.708 1.00 0.00 N ATOM 0 H ASN A 33 0.299 12.568 5.869 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.314 13.064 3.876 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.597 13.674 3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.440 13.747 2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.453 16.688 5.001 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.351 15.188 5.252 1.00 0.00 H new ATOM 464 N VAL A 34 1.070 10.277 3.641 1.00 0.00 N ATOM 465 CA VAL A 34 1.194 9.041 2.879 1.00 0.00 C ATOM 466 C VAL A 34 -0.198 8.484 2.570 1.00 0.00 C ATOM 467 O VAL A 34 -0.826 7.837 3.413 1.00 0.00 O ATOM 468 CB VAL A 34 2.149 8.050 3.559 1.00 0.00 C ATOM 469 CG1 VAL A 34 2.254 6.745 2.762 1.00 0.00 C ATOM 470 CG2 VAL A 34 3.564 8.642 3.610 1.00 0.00 C ATOM 0 H VAL A 34 1.224 10.183 4.645 1.00 0.00 H new ATOM 0 HA VAL A 34 1.663 9.244 1.916 1.00 0.00 H new ATOM 0 HB VAL A 34 1.754 7.857 4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.937 6.063 3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.269 6.283 2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.630 6.959 1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.237 7.934 4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.912 8.840 2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.549 9.573 4.176 1.00 0.00 H new ATOM 480 N HIS A 35 -0.666 8.738 1.349 1.00 0.00 N ATOM 481 CA HIS A 35 -1.861 8.155 0.757 1.00 0.00 C ATOM 482 C HIS A 35 -1.624 7.926 -0.725 1.00 0.00 C ATOM 483 O HIS A 35 -2.502 8.178 -1.548 1.00 0.00 O ATOM 484 CB HIS A 35 -3.074 9.060 1.005 1.00 0.00 C ATOM 485 CG HIS A 35 -2.976 10.456 0.452 1.00 0.00 C ATOM 486 ND1 HIS A 35 -3.473 10.864 -0.766 1.00 0.00 N ATOM 487 CD2 HIS A 35 -2.593 11.571 1.144 1.00 0.00 C ATOM 488 CE1 HIS A 35 -3.401 12.204 -0.799 1.00 0.00 C ATOM 489 NE2 HIS A 35 -2.864 12.680 0.337 1.00 0.00 N ATOM 0 H HIS A 35 -0.197 9.388 0.718 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.074 7.193 1.224 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.954 8.581 0.576 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.240 9.127 2.080 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -3.830 10.260 -1.506 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -2.160 11.591 2.133 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.730 12.816 -1.626 1.00 0.00 H new ATOM 497 N TRP A 36 -0.446 7.417 -1.067 1.00 0.00 N ATOM 498 CA TRP A 36 -0.127 7.014 -2.418 1.00 0.00 C ATOM 499 C TRP A 36 0.653 5.721 -2.345 1.00 0.00 C ATOM 500 O TRP A 36 1.495 5.555 -1.464 1.00 0.00 O ATOM 501 CB TRP A 36 0.653 8.119 -3.125 1.00 0.00 C ATOM 502 CG TRP A 36 -0.164 9.349 -3.319 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.439 10.273 -2.373 1.00 0.00 C ATOM 504 CD2 TRP A 36 -0.975 9.701 -4.472 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.300 11.212 -2.889 1.00 0.00 N ATOM 506 CE2 TRP A 36 -1.685 10.900 -4.175 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.204 9.104 -5.727 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -2.557 11.502 -5.092 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.132 9.664 -6.628 1.00 0.00 C ATOM 510 CH2 TRP A 36 -2.769 10.881 -6.333 1.00 0.00 C ATOM 0 H TRP A 36 0.316 7.274 -0.404 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.033 6.848 -3.002 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.542 8.363 -2.543 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.996 7.756 -4.094 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.044 10.274 -1.368 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.616 12.039 -2.382 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.664 8.210 -6.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.057 12.428 -4.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.355 9.153 -7.553 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.422 11.339 -7.061 1.00 0.00 H new ATOM 521 N MET A 37 0.353 4.802 -3.251 1.00 0.00 N ATOM 522 CA MET A 37 1.183 3.662 -3.552 1.00 0.00 C ATOM 523 C MET A 37 1.791 3.969 -4.903 1.00 0.00 C ATOM 524 O MET A 37 1.073 4.431 -5.790 1.00 0.00 O ATOM 525 CB MET A 37 0.320 2.407 -3.650 1.00 0.00 C ATOM 526 CG MET A 37 1.149 1.129 -3.759 1.00 0.00 C ATOM 527 SD MET A 37 1.009 0.101 -2.292 1.00 0.00 S ATOM 528 CE MET A 37 1.627 1.214 -1.010 1.00 0.00 C ATOM 0 H MET A 37 -0.500 4.837 -3.809 1.00 0.00 H new ATOM 0 HA MET A 37 1.939 3.487 -2.787 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.324 2.344 -2.772 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.333 2.487 -4.519 1.00 0.00 H new ATOM 0 HG2 MET A 37 0.825 0.561 -4.631 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.195 1.389 -3.920 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.419 0.789 -0.028 1.00 0.00 H new ATOM 0 HE2 MET A 37 2.703 1.344 -1.129 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.133 2.181 -1.099 1.00 0.00 H new ATOM 538 N VAL A 38 3.078 3.699 -5.066 1.00 0.00 N ATOM 539 CA VAL A 38 3.718 3.778 -6.358 1.00 0.00 C ATOM 540 C VAL A 38 4.435 2.447 -6.547 1.00 0.00 C ATOM 541 O VAL A 38 5.249 2.030 -5.722 1.00 0.00 O ATOM 542 CB VAL A 38 4.592 5.036 -6.471 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.805 5.348 -7.951 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.896 6.267 -5.869 1.00 0.00 C ATOM 0 H VAL A 38 3.700 3.421 -4.307 1.00 0.00 H new ATOM 0 HA VAL A 38 3.014 3.907 -7.180 1.00 0.00 H new ATOM 0 HB VAL A 38 5.523 4.840 -5.940 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.424 6.240 -8.049 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.302 4.506 -8.432 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.841 5.522 -8.429 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.545 7.137 -5.968 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.960 6.451 -6.397 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.688 6.088 -4.814 1.00 0.00 H new ATOM 554 N THR A 39 4.019 1.709 -7.566 1.00 0.00 N ATOM 555 CA THR A 39 4.469 0.359 -7.812 1.00 0.00 C ATOM 556 C THR A 39 5.629 0.402 -8.798 1.00 0.00 C ATOM 557 O THR A 39 5.818 1.383 -9.517 1.00 0.00 O ATOM 558 CB THR A 39 3.289 -0.471 -8.323 1.00 0.00 C ATOM 559 OG1 THR A 39 2.789 0.117 -9.501 1.00 0.00 O ATOM 560 CG2 THR A 39 2.167 -0.511 -7.281 1.00 0.00 C ATOM 0 H THR A 39 3.346 2.044 -8.255 1.00 0.00 H new ATOM 0 HA THR A 39 4.830 -0.115 -6.899 1.00 0.00 H new ATOM 0 HB THR A 39 3.633 -1.487 -8.516 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.097 -0.460 -9.887 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.337 -1.106 -7.663 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.541 -0.959 -6.360 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.823 0.503 -7.077 1.00 0.00 H new ATOM 568 N GLY A 40 6.400 -0.676 -8.832 1.00 0.00 N ATOM 569 CA GLY A 40 7.569 -0.822 -9.675 1.00 0.00 C ATOM 570 C GLY A 40 7.805 -2.237 -10.140 1.00 0.00 C ATOM 571 O GLY A 40 8.927 -2.668 -10.355 1.00 0.00 O ATOM 0 H GLY A 40 6.220 -1.497 -8.254 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.462 -0.175 -10.546 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.446 -0.477 -9.128 1.00 0.00 H new ATOM 626 N LYS A 46 3.147 -8.364 -12.364 1.00 0.00 N ATOM 627 CA LYS A 46 1.774 -8.293 -11.897 1.00 0.00 C ATOM 628 C LYS A 46 1.360 -7.056 -11.095 1.00 0.00 C ATOM 629 O LYS A 46 2.158 -6.300 -10.540 1.00 0.00 O ATOM 630 CB LYS A 46 1.373 -9.592 -11.184 1.00 0.00 C ATOM 631 CG LYS A 46 1.257 -10.734 -12.199 1.00 0.00 C ATOM 632 CD LYS A 46 0.281 -11.811 -11.717 1.00 0.00 C ATOM 633 CE LYS A 46 -0.379 -12.489 -12.925 1.00 0.00 C ATOM 634 NZ LYS A 46 -1.500 -13.358 -12.527 1.00 0.00 N ATOM 0 HA LYS A 46 1.202 -8.173 -12.817 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.114 -9.843 -10.425 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.422 -9.455 -10.669 1.00 0.00 H new ATOM 0 HG2 LYS A 46 0.921 -10.339 -13.157 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.239 -11.178 -12.364 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.809 -12.551 -11.116 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.480 -11.365 -11.077 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.739 -11.727 -13.616 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.365 -13.079 -13.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.917 -13.796 -13.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.153 -14.101 -11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.222 -12.791 -12.039 1.00 0.00 H new ATOM 648 N GLN A 47 0.047 -6.848 -11.037 1.00 0.00 N ATOM 649 CA GLN A 47 -0.543 -6.027 -10.002 1.00 0.00 C ATOM 650 C GLN A 47 -0.279 -6.691 -8.656 1.00 0.00 C ATOM 651 O GLN A 47 -0.318 -7.920 -8.566 1.00 0.00 O ATOM 652 CB GLN A 47 -2.042 -5.855 -10.280 1.00 0.00 C ATOM 653 CG GLN A 47 -2.860 -7.134 -10.096 1.00 0.00 C ATOM 654 CD GLN A 47 -4.261 -6.920 -10.640 1.00 0.00 C ATOM 655 OE1 GLN A 47 -5.073 -6.239 -10.027 1.00 0.00 O ATOM 656 NE2 GLN A 47 -4.529 -7.400 -11.847 1.00 0.00 N ATOM 0 H GLN A 47 -0.623 -7.240 -11.699 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.100 -5.031 -9.987 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.438 -5.085 -9.618 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.173 -5.496 -11.301 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.380 -7.964 -10.615 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.905 -7.401 -9.040 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -3.835 -7.965 -12.337 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.429 -7.204 -12.285 1.00 0.00 H new ATOM 665 N GLY A 48 -0.039 -5.876 -7.636 1.00 0.00 N ATOM 666 CA GLY A 48 0.245 -6.343 -6.288 1.00 0.00 C ATOM 667 C GLY A 48 -0.856 -5.852 -5.360 1.00 0.00 C ATOM 668 O GLY A 48 -1.475 -4.839 -5.705 1.00 0.00 O ATOM 0 H GLY A 48 -0.037 -4.860 -7.725 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.298 -7.432 -6.269 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.214 -5.971 -5.955 1.00 0.00 H new ATOM 672 N CYS A 49 -1.115 -6.476 -4.197 1.00 0.00 N ATOM 673 CA CYS A 49 -2.210 -5.988 -3.388 1.00 0.00 C ATOM 674 C CYS A 49 -1.792 -6.018 -1.954 1.00 0.00 C ATOM 675 O CYS A 49 -0.952 -6.837 -1.572 1.00 0.00 O ATOM 676 CB CYS A 49 -3.458 -6.855 -3.540 1.00 0.00 C ATOM 677 SG CYS A 49 -4.078 -7.209 -5.196 1.00 0.00 S ATOM 0 H CYS A 49 -0.604 -7.276 -3.823 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.450 -4.977 -3.717 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -3.258 -7.809 -3.052 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -4.262 -6.375 -2.983 1.00 0.00 H new ATOM 682 N ALA A 50 -2.368 -5.113 -1.176 1.00 0.00 N ATOM 683 CA ALA A 50 -2.182 -5.021 0.249 1.00 0.00 C ATOM 684 C ALA A 50 -3.537 -4.985 0.906 1.00 0.00 C ATOM 685 O ALA A 50 -4.437 -4.303 0.423 1.00 0.00 O ATOM 686 CB ALA A 50 -1.434 -3.741 0.604 1.00 0.00 C ATOM 0 H ALA A 50 -2.999 -4.400 -1.542 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.605 -5.879 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.301 -3.685 1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.458 -3.743 0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.007 -2.878 0.264 1.00 0.00 H new ATOM 692 N THR A 51 -3.655 -5.679 2.029 1.00 0.00 N ATOM 693 CA THR A 51 -4.729 -5.355 2.950 1.00 0.00 C ATOM 694 C THR A 51 -4.242 -4.195 3.815 1.00 0.00 C ATOM 695 O THR A 51 -3.186 -4.267 4.443 1.00 0.00 O ATOM 696 CB THR A 51 -5.259 -6.606 3.658 1.00 0.00 C ATOM 697 OG1 THR A 51 -5.859 -7.407 2.648 1.00 0.00 O ATOM 698 CG2 THR A 51 -6.349 -6.267 4.675 1.00 0.00 C ATOM 0 H THR A 51 -3.043 -6.443 2.316 1.00 0.00 H new ATOM 0 HA THR A 51 -5.631 -5.001 2.451 1.00 0.00 H new ATOM 0 HB THR A 51 -4.441 -7.098 4.184 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.216 -8.227 3.049 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.697 -7.182 5.154 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.945 -5.593 5.430 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.183 -5.784 4.167 1.00 0.00 H new ATOM 706 N ILE A 52 -4.972 -3.086 3.739 1.00 0.00 N ATOM 707 CA ILE A 52 -4.758 -1.866 4.483 1.00 0.00 C ATOM 708 C ILE A 52 -5.707 -1.929 5.683 1.00 0.00 C ATOM 709 O ILE A 52 -6.772 -2.538 5.581 1.00 0.00 O ATOM 710 CB ILE A 52 -5.016 -0.661 3.556 1.00 0.00 C ATOM 711 CG1 ILE A 52 -4.227 -0.810 2.236 1.00 0.00 C ATOM 712 CG2 ILE A 52 -4.633 0.652 4.247 1.00 0.00 C ATOM 713 CD1 ILE A 52 -4.211 0.454 1.368 1.00 0.00 C ATOM 0 H ILE A 52 -5.776 -3.020 3.115 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.737 -1.752 4.846 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.082 -0.637 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.200 -1.090 2.469 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.657 -1.628 1.659 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.824 1.487 3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.227 0.773 5.153 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.575 0.631 4.508 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.637 0.265 0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.232 0.725 1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.752 1.272 1.924 1.00 0.00 H new ATOM 725 N TRP A 53 -5.319 -1.351 6.819 1.00 0.00 N ATOM 726 CA TRP A 53 -6.049 -1.357 8.076 1.00 0.00 C ATOM 727 C TRP A 53 -6.272 0.062 8.588 1.00 0.00 C ATOM 728 O TRP A 53 -5.534 0.993 8.239 1.00 0.00 O ATOM 729 CB TRP A 53 -5.254 -2.136 9.131 1.00 0.00 C ATOM 730 CG TRP A 53 -5.518 -3.604 9.211 1.00 0.00 C ATOM 731 CD1 TRP A 53 -6.519 -4.176 9.914 1.00 0.00 C ATOM 732 CD2 TRP A 53 -4.858 -4.695 8.508 1.00 0.00 C ATOM 733 NE1 TRP A 53 -6.489 -5.539 9.739 1.00 0.00 N ATOM 734 CE2 TRP A 53 -5.490 -5.918 8.876 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.835 -4.771 7.545 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -5.104 -7.155 8.346 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -3.492 -6.000 6.955 1.00 0.00 C ATOM 738 CH2 TRP A 53 -4.092 -7.196 7.378 1.00 0.00 C ATOM 0 H TRP A 53 -4.439 -0.840 6.886 1.00 0.00 H new ATOM 0 HA TRP A 53 -7.016 -1.829 7.900 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.192 -1.990 8.935 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.461 -1.698 10.107 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.235 -3.643 10.522 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.130 -6.189 10.194 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.307 -3.874 7.256 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.580 -8.065 8.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.756 -6.024 6.165 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -3.776 -8.141 6.961 1.00 0.00 H new ATOM 749 N GLU A 54 -7.283 0.191 9.445 1.00 0.00 N ATOM 750 CA GLU A 54 -7.698 1.430 10.058 1.00 0.00 C ATOM 751 C GLU A 54 -7.032 1.634 11.426 1.00 0.00 C ATOM 752 O GLU A 54 -6.780 2.762 11.832 1.00 0.00 O ATOM 753 CB GLU A 54 -9.223 1.408 10.169 1.00 0.00 C ATOM 754 CG GLU A 54 -9.675 2.848 10.403 1.00 0.00 C ATOM 755 CD GLU A 54 -11.152 3.050 10.585 1.00 0.00 C ATOM 756 OE1 GLU A 54 -11.879 2.071 10.839 1.00 0.00 O ATOM 757 OE2 GLU A 54 -11.535 4.237 10.541 1.00 0.00 O ATOM 0 H GLU A 54 -7.852 -0.604 9.737 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.383 2.274 9.444 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.670 1.007 9.260 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.541 0.766 10.991 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.164 3.230 11.287 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.346 3.453 9.558 1.00 0.00 H new ATOM 764 N GLY A 55 -6.785 0.575 12.186 1.00 0.00 N ATOM 765 CA GLY A 55 -6.084 0.714 13.453 1.00 0.00 C ATOM 766 C GLY A 55 -4.649 1.163 13.210 1.00 0.00 C ATOM 767 O GLY A 55 -4.003 0.666 12.285 1.00 0.00 O ATOM 0 H GLY A 55 -7.057 -0.379 11.950 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.598 1.439 14.084 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.091 -0.236 13.987 1.00 0.00 H new ATOM 771 N SER A 56 -4.147 2.084 14.033 1.00 0.00 N ATOM 772 CA SER A 56 -2.789 2.609 13.963 1.00 0.00 C ATOM 773 C SER A 56 -1.780 1.538 14.401 1.00 0.00 C ATOM 774 O SER A 56 -1.246 1.582 15.512 1.00 0.00 O ATOM 775 CB SER A 56 -2.694 3.862 14.840 1.00 0.00 C ATOM 776 OG SER A 56 -3.733 4.795 14.578 1.00 0.00 O ATOM 0 H SER A 56 -4.694 2.496 14.789 1.00 0.00 H new ATOM 0 HA SER A 56 -2.548 2.881 12.935 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.730 3.570 15.889 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.730 4.343 14.676 1.00 0.00 H new ATOM 0 HG SER A 56 -3.628 5.574 15.163 1.00 0.00 H new ATOM 782 N GLY A 57 -1.530 0.568 13.529 1.00 0.00 N ATOM 783 CA GLY A 57 -0.613 -0.535 13.715 1.00 0.00 C ATOM 784 C GLY A 57 -0.822 -1.520 12.568 1.00 0.00 C ATOM 785 O GLY A 57 0.058 -1.688 11.732 1.00 0.00 O ATOM 0 H GLY A 57 -1.993 0.535 12.621 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.416 -0.177 13.727 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.792 -1.022 14.673 1.00 0.00 H new ATOM 789 N CYS A 58 -2.016 -2.126 12.525 1.00 0.00 N ATOM 790 CA CYS A 58 -2.528 -3.128 11.583 1.00 0.00 C ATOM 791 C CYS A 58 -3.665 -3.941 12.217 1.00 0.00 C ATOM 792 O CYS A 58 -3.752 -5.155 12.041 1.00 0.00 O ATOM 793 CB CYS A 58 -1.457 -4.079 11.024 1.00 0.00 C ATOM 794 SG CYS A 58 -0.746 -5.255 12.201 1.00 0.00 S ATOM 0 H CYS A 58 -2.722 -1.901 13.226 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.902 -2.556 10.734 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.894 -4.641 10.199 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.648 -3.478 10.608 1.00 0.00 H new ATOM 799 N VAL A 59 -4.564 -3.286 12.951 1.00 0.00 N ATOM 800 CA VAL A 59 -5.723 -3.889 13.577 1.00 0.00 C ATOM 801 C VAL A 59 -6.959 -3.115 13.127 1.00 0.00 C ATOM 802 O VAL A 59 -6.832 -2.140 12.387 1.00 0.00 O ATOM 803 CB VAL A 59 -5.525 -3.882 15.096 1.00 0.00 C ATOM 804 CG1 VAL A 59 -4.384 -4.821 15.500 1.00 0.00 C ATOM 805 CG2 VAL A 59 -5.290 -2.491 15.688 1.00 0.00 C ATOM 0 H VAL A 59 -4.496 -2.284 13.128 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.857 -4.929 13.280 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.467 -4.239 15.513 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.262 -4.800 16.583 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.618 -5.837 15.181 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.459 -4.496 15.024 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.159 -2.572 16.767 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.395 -2.054 15.246 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.148 -1.855 15.473 1.00 0.00 H new ATOM 815 N GLY A 60 -8.149 -3.547 13.528 1.00 0.00 N ATOM 816 CA GLY A 60 -9.374 -2.837 13.207 1.00 0.00 C ATOM 817 C GLY A 60 -9.886 -3.217 11.822 1.00 0.00 C ATOM 818 O GLY A 60 -9.675 -4.336 11.351 1.00 0.00 O ATOM 0 H GLY A 60 -8.288 -4.393 14.080 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.135 -3.064 13.954 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.196 -1.762 13.249 1.00 0.00 H new ATOM 822 N ARG A 61 -10.588 -2.282 11.194 1.00 0.00 N ATOM 823 CA ARG A 61 -11.266 -2.463 9.922 1.00 0.00 C ATOM 824 C ARG A 61 -10.227 -2.413 8.828 1.00 0.00 C ATOM 825 O ARG A 61 -9.171 -1.812 9.028 1.00 0.00 O ATOM 826 CB ARG A 61 -12.341 -1.374 9.805 1.00 0.00 C ATOM 827 CG ARG A 61 -13.344 -1.546 8.663 1.00 0.00 C ATOM 828 CD ARG A 61 -14.245 -0.306 8.657 1.00 0.00 C ATOM 829 NE ARG A 61 -15.142 -0.255 7.493 1.00 0.00 N ATOM 830 CZ ARG A 61 -15.866 0.823 7.153 1.00 0.00 C ATOM 831 NH1 ARG A 61 -15.854 1.917 7.912 1.00 0.00 N ATOM 832 NH2 ARG A 61 -16.569 0.816 6.027 1.00 0.00 N ATOM 0 H ARG A 61 -10.703 -1.342 11.573 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.770 -3.426 9.839 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.893 -1.333 10.744 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.844 -0.411 9.685 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.826 -1.650 7.709 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.936 -2.450 8.804 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.841 -0.292 9.569 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.623 0.589 8.669 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.219 -1.088 6.909 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.291 1.942 8.762 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -16.408 2.730 7.643 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.558 -0.006 5.424 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.120 1.633 5.765 1.00 0.00 H new ATOM 846 N SER A 62 -10.492 -3.086 7.710 1.00 0.00 N ATOM 847 CA SER A 62 -9.458 -3.324 6.732 1.00 0.00 C ATOM 848 C SER A 62 -10.014 -3.483 5.325 1.00 0.00 C ATOM 849 O SER A 62 -11.160 -3.886 5.165 1.00 0.00 O ATOM 850 CB SER A 62 -8.596 -4.514 7.159 1.00 0.00 C ATOM 851 OG SER A 62 -9.339 -5.442 7.930 1.00 0.00 O ATOM 0 H SER A 62 -11.407 -3.468 7.469 1.00 0.00 H new ATOM 0 HA SER A 62 -8.820 -2.441 6.693 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.196 -5.011 6.275 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.744 -4.158 7.738 1.00 0.00 H new ATOM 0 HG SER A 62 -8.761 -6.191 8.186 1.00 0.00 H new ATOM 857 N THR A 63 -9.232 -3.133 4.307 1.00 0.00 N ATOM 858 CA THR A 63 -9.670 -3.260 2.921 1.00 0.00 C ATOM 859 C THR A 63 -8.484 -3.639 2.043 1.00 0.00 C ATOM 860 O THR A 63 -7.381 -3.137 2.256 1.00 0.00 O ATOM 861 CB THR A 63 -10.383 -1.971 2.477 1.00 0.00 C ATOM 862 OG1 THR A 63 -11.174 -2.195 1.324 1.00 0.00 O ATOM 863 CG2 THR A 63 -9.426 -0.805 2.221 1.00 0.00 C ATOM 0 H THR A 63 -8.290 -2.758 4.417 1.00 0.00 H new ATOM 0 HA THR A 63 -10.400 -4.063 2.820 1.00 0.00 H new ATOM 0 HB THR A 63 -11.023 -1.689 3.313 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.617 -1.360 1.064 1.00 0.00 H new ATOM 0 HG21 THR A 63 -9.995 0.072 1.911 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.877 -0.577 3.135 1.00 0.00 H new ATOM 0 HG23 THR A 63 -8.723 -1.078 1.434 1.00 0.00 H new ATOM 871 N THR A 64 -8.686 -4.550 1.094 1.00 0.00 N ATOM 872 CA THR A 64 -7.652 -4.990 0.180 1.00 0.00 C ATOM 873 C THR A 64 -7.561 -4.039 -1.015 1.00 0.00 C ATOM 874 O THR A 64 -8.358 -4.132 -1.947 1.00 0.00 O ATOM 875 CB THR A 64 -7.870 -6.459 -0.200 1.00 0.00 C ATOM 876 OG1 THR A 64 -8.222 -7.216 0.953 1.00 0.00 O ATOM 877 CG2 THR A 64 -6.585 -7.026 -0.816 1.00 0.00 C ATOM 0 H THR A 64 -9.586 -5.005 0.942 1.00 0.00 H new ATOM 0 HA THR A 64 -6.678 -4.950 0.667 1.00 0.00 H new ATOM 0 HB THR A 64 -8.681 -6.522 -0.926 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.443 -7.297 1.541 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.741 -8.070 -1.086 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.327 -6.455 -1.708 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.773 -6.956 -0.092 1.00 0.00 H new ATOM 885 N MET A 65 -6.589 -3.130 -0.984 1.00 0.00 N ATOM 886 CA MET A 65 -6.291 -2.231 -2.084 1.00 0.00 C ATOM 887 C MET A 65 -5.295 -2.946 -2.998 1.00 0.00 C ATOM 888 O MET A 65 -4.245 -3.396 -2.533 1.00 0.00 O ATOM 889 CB MET A 65 -5.729 -0.928 -1.500 1.00 0.00 C ATOM 890 CG MET A 65 -5.567 0.201 -2.530 1.00 0.00 C ATOM 891 SD MET A 65 -4.267 0.046 -3.786 1.00 0.00 S ATOM 892 CE MET A 65 -2.794 -0.156 -2.762 1.00 0.00 C ATOM 0 H MET A 65 -5.979 -2.999 -0.177 1.00 0.00 H new ATOM 0 HA MET A 65 -7.173 -1.973 -2.671 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.388 -0.586 -0.702 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.759 -1.134 -1.046 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.518 0.315 -3.050 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.390 1.127 -1.982 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.903 -0.049 -3.381 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.787 0.605 -1.981 1.00 0.00 H new ATOM 0 HE3 MET A 65 -2.802 -1.145 -2.305 1.00 0.00 H new ATOM 902 N CYS A 66 -5.622 -3.071 -4.281 1.00 0.00 N ATOM 903 CA CYS A 66 -4.740 -3.639 -5.293 1.00 0.00 C ATOM 904 C CYS A 66 -4.291 -2.524 -6.216 1.00 0.00 C ATOM 905 O CYS A 66 -5.100 -1.674 -6.585 1.00 0.00 O ATOM 906 CB CYS A 66 -5.476 -4.680 -6.128 1.00 0.00 C ATOM 907 SG CYS A 66 -5.904 -6.206 -5.280 1.00 0.00 S ATOM 0 H CYS A 66 -6.525 -2.774 -4.652 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.892 -4.113 -4.798 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.392 -4.230 -6.510 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.859 -4.928 -6.992 1.00 0.00 H new ATOM 912 N CYS A 67 -3.022 -2.520 -6.617 1.00 0.00 N ATOM 913 CA CYS A 67 -2.466 -1.548 -7.554 1.00 0.00 C ATOM 914 C CYS A 67 -1.653 -2.274 -8.633 1.00 0.00 C ATOM 915 O CYS A 67 -0.929 -3.209 -8.285 1.00 0.00 O ATOM 916 CB CYS A 67 -1.574 -0.562 -6.807 1.00 0.00 C ATOM 917 SG CYS A 67 -1.126 0.879 -7.812 1.00 0.00 S ATOM 0 H CYS A 67 -2.339 -3.205 -6.294 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.281 -1.001 -8.029 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.087 -0.226 -5.906 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.666 -1.072 -6.486 1.00 0.00 H new ATOM 922 N PRO A 68 -1.774 -1.920 -9.926 1.00 0.00 N ATOM 923 CA PRO A 68 -1.015 -2.544 -11.001 1.00 0.00 C ATOM 924 C PRO A 68 0.494 -2.486 -10.823 1.00 0.00 C ATOM 925 O PRO A 68 1.018 -1.974 -9.842 1.00 0.00 O ATOM 926 CB PRO A 68 -1.451 -1.864 -12.302 1.00 0.00 C ATOM 927 CG PRO A 68 -2.847 -1.347 -11.971 1.00 0.00 C ATOM 928 CD PRO A 68 -2.768 -1.017 -10.481 1.00 0.00 C ATOM 0 HA PRO A 68 -1.234 -3.612 -11.008 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.776 -1.054 -12.579 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.468 -2.564 -13.137 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.099 -0.467 -12.563 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.611 -2.098 -12.175 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.481 0.023 -10.326 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.735 -1.156 -9.998 1.00 0.00 H new ATOM 936 N ALA A 69 1.204 -3.044 -11.794 1.00 0.00 N ATOM 937 CA ALA A 69 2.637 -2.839 -11.916 1.00 0.00 C ATOM 938 C ALA A 69 2.901 -1.426 -12.445 1.00 0.00 C ATOM 939 O ALA A 69 2.038 -0.852 -13.108 1.00 0.00 O ATOM 940 CB ALA A 69 3.223 -3.893 -12.852 1.00 0.00 C ATOM 0 H ALA A 69 0.805 -3.647 -12.513 1.00 0.00 H new ATOM 0 HA ALA A 69 3.116 -2.940 -10.942 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.298 -3.740 -12.944 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.031 -4.887 -12.447 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.759 -3.806 -13.834 1.00 0.00 H new ATOM 946 N ASN A 70 4.091 -0.889 -12.161 1.00 0.00 N ATOM 947 CA ASN A 70 4.620 0.385 -12.657 1.00 0.00 C ATOM 948 C ASN A 70 3.561 1.465 -12.856 1.00 0.00 C ATOM 949 O ASN A 70 3.405 2.027 -13.945 1.00 0.00 O ATOM 950 CB ASN A 70 5.522 0.186 -13.885 1.00 0.00 C ATOM 951 CG ASN A 70 6.976 0.103 -13.453 1.00 0.00 C ATOM 952 OD1 ASN A 70 7.629 1.117 -13.244 1.00 0.00 O ATOM 953 ND2 ASN A 70 7.494 -1.109 -13.299 1.00 0.00 N ATOM 0 H ASN A 70 4.750 -1.360 -11.542 1.00 0.00 H new ATOM 0 HA ASN A 70 5.251 0.777 -11.860 1.00 0.00 H new ATOM 0 HB2 ASN A 70 5.238 -0.725 -14.412 1.00 0.00 H new ATOM 0 HB3 ASN A 70 5.388 1.012 -14.583 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.463 -1.215 -12.998 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.923 -1.934 -13.481 1.00 0.00 H new ATOM 960 N THR A 71 2.843 1.785 -11.788 1.00 0.00 N ATOM 961 CA THR A 71 1.908 2.884 -11.757 1.00 0.00 C ATOM 962 C THR A 71 1.718 3.391 -10.333 1.00 0.00 C ATOM 963 O THR A 71 2.071 2.731 -9.355 1.00 0.00 O ATOM 964 CB THR A 71 0.583 2.457 -12.393 1.00 0.00 C ATOM 965 OG1 THR A 71 -0.181 3.611 -12.678 1.00 0.00 O ATOM 966 CG2 THR A 71 -0.223 1.517 -11.492 1.00 0.00 C ATOM 0 H THR A 71 2.900 1.274 -10.907 1.00 0.00 H new ATOM 0 HA THR A 71 2.309 3.713 -12.340 1.00 0.00 H new ATOM 0 HB THR A 71 0.812 1.908 -13.307 1.00 0.00 H new ATOM 0 HG1 THR A 71 -1.031 3.347 -13.088 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.153 1.244 -11.990 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.359 0.617 -11.292 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.449 2.019 -10.551 1.00 0.00 H new ATOM 974 N CYS A 72 1.120 4.567 -10.252 1.00 0.00 N ATOM 975 CA CYS A 72 0.724 5.282 -9.055 1.00 0.00 C ATOM 976 C CYS A 72 -0.763 5.055 -8.795 1.00 0.00 C ATOM 977 O CYS A 72 -1.551 5.024 -9.744 1.00 0.00 O ATOM 978 CB CYS A 72 1.054 6.752 -9.293 1.00 0.00 C ATOM 979 SG CYS A 72 -0.091 7.947 -8.618 1.00 0.00 S ATOM 0 H CYS A 72 0.880 5.089 -11.095 1.00 0.00 H new ATOM 0 HA CYS A 72 1.253 4.931 -8.169 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.041 6.952 -8.876 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.124 6.916 -10.368 1.00 0.00 H new ATOM 984 N CYS A 73 -1.146 4.858 -7.533 1.00 0.00 N ATOM 985 CA CYS A 73 -2.517 4.691 -7.081 1.00 0.00 C ATOM 986 C CYS A 73 -2.712 5.619 -5.883 1.00 0.00 C ATOM 987 O CYS A 73 -1.831 5.660 -5.025 1.00 0.00 O ATOM 988 CB CYS A 73 -2.755 3.244 -6.637 1.00 0.00 C ATOM 989 SG CYS A 73 -2.901 1.996 -7.938 1.00 0.00 S ATOM 0 H CYS A 73 -0.474 4.809 -6.767 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.214 4.925 -7.886 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.936 2.953 -5.980 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.667 3.219 -6.040 1.00 0.00 H new ATOM 994 N ASN A 74 -3.827 6.352 -5.799 1.00 0.00 N ATOM 995 CA ASN A 74 -4.147 7.202 -4.644 1.00 0.00 C ATOM 996 C ASN A 74 -4.844 6.391 -3.552 1.00 0.00 C ATOM 997 O ASN A 74 -5.953 5.904 -3.759 1.00 0.00 O ATOM 998 CB ASN A 74 -5.070 8.357 -5.037 1.00 0.00 C ATOM 999 CG ASN A 74 -5.447 9.155 -3.789 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -4.672 9.953 -3.268 1.00 0.00 O ATOM 1001 ND2 ASN A 74 -6.645 8.959 -3.262 1.00 0.00 N ATOM 0 H ASN A 74 -4.536 6.374 -6.532 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.202 7.600 -4.275 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.573 9.004 -5.759 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.968 7.971 -5.520 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -6.924 9.470 -2.424 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.290 8.297 -3.693 1.00 0.00 H new ATOM 1008 N ILE A 75 -4.216 6.230 -2.393 1.00 0.00 N ATOM 1009 CA ILE A 75 -4.692 5.401 -1.297 1.00 0.00 C ATOM 1010 C ILE A 75 -5.635 6.231 -0.424 1.00 0.00 C ATOM 1011 O ILE A 75 -5.297 6.615 0.691 1.00 0.00 O ATOM 1012 CB ILE A 75 -3.468 4.761 -0.587 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -3.026 3.502 -1.336 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -3.653 4.324 0.866 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -2.717 3.819 -2.785 1.00 0.00 C ATOM 0 H ILE A 75 -3.330 6.691 -2.185 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.295 4.555 -1.628 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.743 5.575 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.144 3.078 -0.856 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.811 2.748 -1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.723 3.895 1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.923 5.187 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.445 3.578 0.923 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.405 2.909 -3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.608 4.220 -3.268 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.915 4.556 -2.833 1.00 0.00 H new ATOM 1027 N ASN A 76 -6.838 6.499 -0.933 1.00 0.00 N ATOM 1028 CA ASN A 76 -7.980 6.863 -0.096 1.00 0.00 C ATOM 1029 C ASN A 76 -8.948 5.686 -0.163 1.00 0.00 C ATOM 1030 O ASN A 76 -8.884 4.923 -1.126 1.00 0.00 O ATOM 1031 CB ASN A 76 -8.628 8.182 -0.528 1.00 0.00 C ATOM 1032 CG ASN A 76 -9.487 8.765 0.595 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -9.754 8.112 1.603 1.00 0.00 O ATOM 1034 ND2 ASN A 76 -9.854 10.034 0.490 1.00 0.00 N ATOM 0 H ASN A 76 -7.047 6.470 -1.931 1.00 0.00 H new ATOM 0 HA ASN A 76 -7.664 7.045 0.931 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.854 8.897 -0.807 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.243 8.016 -1.413 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -10.365 10.482 1.251 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -9.626 10.563 -0.352 1.00 0.00 H new ATOM 1041 N THR A 77 -9.766 5.462 0.863 1.00 0.00 N ATOM 1042 CA THR A 77 -10.703 4.349 0.898 1.00 0.00 C ATOM 1043 C THR A 77 -11.983 4.801 1.618 1.00 0.00 C ATOM 1044 O THR A 77 -12.221 6.001 1.756 1.00 0.00 O ATOM 1045 CB THR A 77 -10.043 3.109 1.529 1.00 0.00 C ATOM 1046 OG1 THR A 77 -9.905 3.255 2.931 1.00 0.00 O ATOM 1047 CG2 THR A 77 -8.686 2.713 0.939 1.00 0.00 C ATOM 0 H THR A 77 -9.795 6.051 1.695 1.00 0.00 H new ATOM 0 HA THR A 77 -10.986 4.049 -0.111 1.00 0.00 H new ATOM 0 HB THR A 77 -10.733 2.301 1.287 1.00 0.00 H new ATOM 0 HG1 THR A 77 -9.874 4.208 3.159 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.309 1.829 1.454 1.00 0.00 H new ATOM 0 HG22 THR A 77 -8.801 2.493 -0.122 1.00 0.00 H new ATOM 0 HG23 THR A 77 -7.981 3.534 1.065 1.00 0.00 H new ATOM 1055 N GLY A 78 -12.788 3.863 2.121 1.00 0.00 N ATOM 1056 CA GLY A 78 -13.994 4.160 2.876 1.00 0.00 C ATOM 1057 C GLY A 78 -13.701 4.673 4.288 1.00 0.00 C ATOM 1058 O GLY A 78 -14.606 5.190 4.944 1.00 0.00 O ATOM 0 H GLY A 78 -12.613 2.864 2.011 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.579 4.906 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.607 3.261 2.941 1.00 0.00 H new ATOM 1062 N PHE A 79 -12.477 4.504 4.794 1.00 0.00 N ATOM 1063 CA PHE A 79 -12.021 5.056 6.052 1.00 0.00 C ATOM 1064 C PHE A 79 -10.632 5.621 5.858 1.00 0.00 C ATOM 1065 O PHE A 79 -9.957 5.289 4.882 1.00 0.00 O ATOM 1066 CB PHE A 79 -12.002 3.973 7.131 1.00 0.00 C ATOM 1067 CG PHE A 79 -11.452 2.625 6.699 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -10.062 2.420 6.618 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -12.329 1.568 6.401 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -9.555 1.171 6.229 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -11.821 0.304 6.053 1.00 0.00 C ATOM 1072 CZ PHE A 79 -10.435 0.120 5.932 1.00 0.00 C ATOM 0 H PHE A 79 -11.759 3.959 4.316 1.00 0.00 H new ATOM 0 HA PHE A 79 -12.700 5.846 6.374 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.410 4.334 7.972 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -13.019 3.830 7.495 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -9.384 3.226 6.856 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -13.397 1.727 6.439 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.488 1.019 6.158 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.495 -0.522 5.879 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.045 -0.834 5.609 1.00 0.00 H new ATOM 1082 N TYR A 80 -10.207 6.462 6.800 1.00 0.00 N ATOM 1083 CA TYR A 80 -8.858 6.975 6.771 1.00 0.00 C ATOM 1084 C TYR A 80 -7.909 5.823 7.083 1.00 0.00 C ATOM 1085 O TYR A 80 -8.137 5.072 8.030 1.00 0.00 O ATOM 1086 CB TYR A 80 -8.665 8.136 7.749 1.00 0.00 C ATOM 1087 CG TYR A 80 -7.310 8.804 7.611 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -6.181 8.230 8.220 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -7.149 9.889 6.732 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -4.892 8.662 7.865 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -5.859 10.329 6.388 1.00 0.00 C ATOM 1092 CZ TYR A 80 -4.729 9.697 6.931 1.00 0.00 C ATOM 1093 OH TYR A 80 -3.489 10.016 6.466 1.00 0.00 O ATOM 0 H TYR A 80 -10.776 6.793 7.579 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.645 7.379 5.781 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.448 8.876 7.585 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.781 7.769 8.769 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.304 7.455 8.962 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.016 10.384 6.321 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.025 8.197 8.311 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.737 11.156 5.704 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.560 10.755 5.826 1.00 0.00 H new ATOM 1103 N ILE A 81 -6.846 5.695 6.302 1.00 0.00 N ATOM 1104 CA ILE A 81 -6.051 4.485 6.204 1.00 0.00 C ATOM 1105 C ILE A 81 -4.757 4.663 6.987 1.00 0.00 C ATOM 1106 O ILE A 81 -4.075 5.676 6.823 1.00 0.00 O ATOM 1107 CB ILE A 81 -5.781 4.112 4.745 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -5.614 5.357 3.869 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -6.897 3.192 4.231 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -6.938 5.889 3.324 1.00 0.00 C ATOM 0 H ILE A 81 -6.506 6.449 5.706 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.611 3.657 6.639 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.838 3.569 4.689 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.126 6.140 4.450 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.953 5.121 3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.701 2.928 3.192 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.929 2.286 4.835 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.855 3.708 4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.751 6.771 2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.417 5.121 2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.592 6.155 4.154 1.00 0.00 H new ATOM 1122 N ARG A 82 -4.439 3.702 7.852 1.00 0.00 N ATOM 1123 CA ARG A 82 -3.465 3.896 8.915 1.00 0.00 C ATOM 1124 C ARG A 82 -2.330 2.892 8.893 1.00 0.00 C ATOM 1125 O ARG A 82 -1.243 3.240 9.343 1.00 0.00 O ATOM 1126 CB ARG A 82 -4.195 3.859 10.256 1.00 0.00 C ATOM 1127 CG ARG A 82 -4.572 5.291 10.634 1.00 0.00 C ATOM 1128 CD ARG A 82 -5.543 5.323 11.817 1.00 0.00 C ATOM 1129 NE ARG A 82 -5.493 6.597 12.541 1.00 0.00 N ATOM 1130 CZ ARG A 82 -6.271 7.669 12.325 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -7.276 7.636 11.447 1.00 0.00 N ATOM 1132 NH2 ARG A 82 -6.022 8.781 13.007 1.00 0.00 N ATOM 0 H ARG A 82 -4.851 2.769 7.833 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.993 4.866 8.758 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.087 3.237 10.186 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.558 3.418 11.023 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.671 5.851 10.886 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.026 5.787 9.776 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.557 5.151 11.457 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.306 4.509 12.502 1.00 0.00 H new ATOM 0 HE ARG A 82 -4.798 6.676 13.283 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.467 6.782 10.922 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.853 8.464 11.301 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -5.254 8.807 13.677 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.599 9.609 12.861 1.00 0.00 H new ATOM 1146 N SER A 83 -2.543 1.677 8.403 1.00 0.00 N ATOM 1147 CA SER A 83 -1.474 0.679 8.322 1.00 0.00 C ATOM 1148 C SER A 83 -1.698 -0.245 7.132 1.00 0.00 C ATOM 1149 O SER A 83 -2.795 -0.216 6.584 1.00 0.00 O ATOM 1150 CB SER A 83 -1.425 -0.130 9.614 1.00 0.00 C ATOM 1151 OG SER A 83 -1.790 0.645 10.745 1.00 0.00 O ATOM 0 H SER A 83 -3.446 1.355 8.054 1.00 0.00 H new ATOM 0 HA SER A 83 -0.522 1.192 8.185 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.095 -0.986 9.531 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.419 -0.525 9.756 1.00 0.00 H new ATOM 0 HG SER A 83 -2.736 0.495 10.953 1.00 0.00 H new ATOM 1157 N TYR A 84 -0.738 -1.095 6.752 1.00 0.00 N ATOM 1158 CA TYR A 84 -1.004 -2.137 5.765 1.00 0.00 C ATOM 1159 C TYR A 84 -0.023 -3.303 5.853 1.00 0.00 C ATOM 1160 O TYR A 84 1.057 -3.164 6.423 1.00 0.00 O ATOM 1161 CB TYR A 84 -1.042 -1.552 4.342 1.00 0.00 C ATOM 1162 CG TYR A 84 0.296 -1.231 3.705 1.00 0.00 C ATOM 1163 CD1 TYR A 84 1.059 -2.271 3.152 1.00 0.00 C ATOM 1164 CD2 TYR A 84 0.673 0.099 3.457 1.00 0.00 C ATOM 1165 CE1 TYR A 84 2.232 -1.999 2.443 1.00 0.00 C ATOM 1166 CE2 TYR A 84 1.803 0.376 2.671 1.00 0.00 C ATOM 1167 CZ TYR A 84 2.594 -0.672 2.180 1.00 0.00 C ATOM 1168 OH TYR A 84 3.526 -0.442 1.217 1.00 0.00 O ATOM 0 H TYR A 84 0.217 -1.080 7.110 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.988 -2.543 6.000 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.566 -2.258 3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.637 -0.639 4.365 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.736 -3.294 3.276 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.093 0.910 3.872 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.857 -2.810 2.099 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.063 1.399 2.444 1.00 0.00 H new ATOM 0 HH TYR A 84 4.136 0.265 1.514 1.00 0.00 H new ATOM 1178 N ARG A 85 -0.395 -4.426 5.232 1.00 0.00 N ATOM 1179 CA ARG A 85 0.471 -5.531 4.842 1.00 0.00 C ATOM 1180 C ARG A 85 0.282 -5.779 3.348 1.00 0.00 C ATOM 1181 O ARG A 85 -0.863 -5.944 2.920 1.00 0.00 O ATOM 1182 CB ARG A 85 0.019 -6.789 5.584 1.00 0.00 C ATOM 1183 CG ARG A 85 0.857 -7.070 6.815 1.00 0.00 C ATOM 1184 CD ARG A 85 0.160 -8.178 7.594 1.00 0.00 C ATOM 1185 NE ARG A 85 1.086 -8.886 8.486 1.00 0.00 N ATOM 1186 CZ ARG A 85 1.338 -8.658 9.781 1.00 0.00 C ATOM 1187 NH1 ARG A 85 0.554 -7.862 10.510 1.00 0.00 N ATOM 1188 NH2 ARG A 85 2.402 -9.252 10.312 1.00 0.00 N ATOM 0 H ARG A 85 -1.368 -4.593 4.975 1.00 0.00 H new ATOM 0 HA ARG A 85 1.510 -5.298 5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.025 -6.679 5.877 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.072 -7.644 4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.865 -7.374 6.533 1.00 0.00 H new ATOM 0 HG3 ARG A 85 0.954 -6.173 7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.655 -7.753 8.180 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.286 -8.887 6.896 1.00 0.00 H new ATOM 0 HE ARG A 85 1.607 -9.654 8.063 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.256 -7.413 10.082 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.765 -7.702 11.495 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.990 -9.854 9.736 1.00 0.00 H new ATOM 0 HH22 ARG A 85 2.630 -9.105 11.295 1.00 0.00 H new ATOM 1202 N ARG A 86 1.360 -5.838 2.554 1.00 0.00 N ATOM 1203 CA ARG A 86 1.242 -6.464 1.243 1.00 0.00 C ATOM 1204 C ARG A 86 0.787 -7.896 1.451 1.00 0.00 C ATOM 1205 O ARG A 86 1.310 -8.577 2.333 1.00 0.00 O ATOM 1206 CB ARG A 86 2.561 -6.483 0.462 1.00 0.00 C ATOM 1207 CG ARG A 86 2.768 -5.263 -0.432 1.00 0.00 C ATOM 1208 CD ARG A 86 1.777 -5.204 -1.613 1.00 0.00 C ATOM 1209 NE ARG A 86 1.682 -6.452 -2.396 1.00 0.00 N ATOM 1210 CZ ARG A 86 2.555 -6.807 -3.353 1.00 0.00 C ATOM 1211 NH1 ARG A 86 3.730 -6.187 -3.406 1.00 0.00 N ATOM 1212 NH2 ARG A 86 2.253 -7.732 -4.259 1.00 0.00 N ATOM 0 H ARG A 86 2.284 -5.475 2.788 1.00 0.00 H new ATOM 0 HA ARG A 86 0.531 -5.880 0.659 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.389 -6.549 1.168 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.595 -7.382 -0.153 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.664 -4.359 0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.787 -5.273 -0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.788 -4.955 -1.229 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.073 -4.394 -2.279 1.00 0.00 H new ATOM 0 HE ARG A 86 0.906 -7.083 -2.198 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.953 -5.458 -2.728 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.408 -6.440 -4.124 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.341 -8.189 -4.237 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.933 -7.985 -4.976 1.00 0.00 H new ATOM 1226 N VAL A 87 -0.195 -8.320 0.661 1.00 0.00 N ATOM 1227 CA VAL A 87 -0.884 -9.563 0.843 1.00 0.00 C ATOM 1228 C VAL A 87 -0.372 -10.443 -0.289 1.00 0.00 C ATOM 1229 O VAL A 87 0.155 -11.529 -0.050 1.00 0.00 O ATOM 1230 CB VAL A 87 -2.370 -9.214 0.853 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -3.305 -9.754 -0.223 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -2.824 -9.238 2.286 1.00 0.00 C ATOM 0 H VAL A 87 -0.531 -7.784 -0.139 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.717 -10.117 1.767 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.468 -8.207 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.317 -9.393 -0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.969 -9.412 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.298 -10.844 -0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.885 -8.993 2.336 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.661 -10.232 2.703 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.255 -8.507 2.860 1.00 0.00 H new ATOM 1242 N GLU A 88 -0.444 -9.860 -1.483 1.00 0.00 N ATOM 1243 CA GLU A 88 0.238 -10.085 -2.719 1.00 0.00 C ATOM 1244 C GLU A 88 -0.647 -9.774 -3.902 1.00 0.00 C ATOM 1245 CB GLU A 88 1.036 -11.354 -2.867 1.00 0.00 C ATOM 1246 CG GLU A 88 0.319 -12.696 -2.992 1.00 0.00 C ATOM 1247 CD GLU A 88 1.382 -13.766 -3.087 1.00 0.00 C ATOM 1248 OE1 GLU A 88 2.161 -13.706 -4.057 1.00 0.00 O ATOM 1249 OE2 GLU A 88 1.474 -14.627 -2.189 1.00 0.00 O ATOM 0 H GLU A 88 -1.102 -9.089 -1.602 1.00 0.00 H new ATOM 0 HA GLU A 88 1.049 -9.357 -2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.666 -11.240 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 88 1.701 -11.421 -2.006 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.325 -12.869 -2.130 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -0.320 -12.710 -3.875 1.00 0.00 H new