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= 0.12 K(o=0.027,f=-1.1) USER MOD Set 1.2: A 84 TYR OH : rot -44:sc= -0.0927 USER MOD Set 2.1: A 35 HIS : no HD1:sc= -0.567 K(o=1.2,f=-4.6!) USER MOD Set 2.2: A 74 ASN :FLIP amide:sc= 1.13 F(o=0.67,f=1.2) USER MOD Set 2.3: A 76 ASN :FLIP amide:sc= 0.672 F(o=0.67,f=1.2) USER MOD Set 3.1: A 63 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 65 MET CE :methyl -170:sc= -0.257 (180deg=-0.48) USER MOD Set 4.1: A 10 ASN : amide:sc= -1.22 K(o=0.008,f=-7.6!) USER MOD Set 4.2: A 15 THR OG1 : rot -77:sc= 1.23 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl -162:sc= -0.0315 (180deg=-0.213) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 17 SER OG : rot 180:sc= 0.134 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.27 K(o=-0.27,f=-1.1) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0365 K(o=-0.036,f=-1.5) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.769 USER MOD Single : A 46 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.16) USER MOD Single : A 47 GLN :FLIP amide:sc= 1.33 F(o=0,f=1.3) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0995 USER MOD Single : A 56 SER OG : rot 180:sc= -0.147 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot -100:sc= -0.0947 USER MOD Single : A 77 THR OG1 : rot 136:sc= 0.265 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 67:sc= 1.89 USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 4 9.793 -2.794 -6.780 1.00 0.00 N ATOM 27 CA TYR A 4 9.599 -2.293 -5.437 1.00 0.00 C ATOM 28 C TYR A 4 8.121 -2.356 -5.102 1.00 0.00 C ATOM 29 O TYR A 4 7.275 -2.383 -5.998 1.00 0.00 O ATOM 30 CB TYR A 4 10.121 -0.863 -5.272 1.00 0.00 C ATOM 31 CG TYR A 4 9.840 0.098 -6.420 1.00 0.00 C ATOM 32 CD1 TYR A 4 8.550 0.629 -6.607 1.00 0.00 C ATOM 33 CD2 TYR A 4 10.864 0.440 -7.325 1.00 0.00 C ATOM 34 CE1 TYR A 4 8.283 1.460 -7.708 1.00 0.00 C ATOM 35 CE2 TYR A 4 10.595 1.280 -8.417 1.00 0.00 C ATOM 36 CZ TYR A 4 9.290 1.732 -8.646 1.00 0.00 C ATOM 37 OH TYR A 4 8.956 2.327 -9.825 1.00 0.00 O ATOM 0 HA TYR A 4 10.170 -2.918 -4.751 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.689 -0.445 -4.363 1.00 0.00 H new ATOM 0 HB3 TYR A 4 11.200 -0.908 -5.121 1.00 0.00 H new ATOM 0 HD1 TYR A 4 7.764 0.397 -5.903 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.862 0.054 -7.178 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.300 1.890 -7.832 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.394 1.577 -9.080 1.00 0.00 H new ATOM 0 HH TYR A 4 9.762 2.451 -10.369 1.00 0.00 H new ATOM 47 N LEU A 5 7.824 -2.317 -3.809 1.00 0.00 N ATOM 48 CA LEU A 5 6.466 -2.202 -3.300 1.00 0.00 C ATOM 49 C LEU A 5 6.454 -1.124 -2.222 1.00 0.00 C ATOM 50 O LEU A 5 6.127 -1.390 -1.066 1.00 0.00 O ATOM 51 CB LEU A 5 5.956 -3.561 -2.789 1.00 0.00 C ATOM 52 CG LEU A 5 4.421 -3.545 -2.696 1.00 0.00 C ATOM 53 CD1 LEU A 5 3.814 -4.071 -3.997 1.00 0.00 C ATOM 54 CD2 LEU A 5 3.885 -4.386 -1.537 1.00 0.00 C ATOM 0 H LEU A 5 8.531 -2.365 -3.075 1.00 0.00 H new ATOM 0 HA LEU A 5 5.781 -1.908 -4.095 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.280 -4.356 -3.461 1.00 0.00 H new ATOM 0 HB3 LEU A 5 6.386 -3.776 -1.811 1.00 0.00 H new ATOM 0 HG LEU A 5 4.134 -2.508 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 5 2.727 -4.057 -3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 5 4.130 -3.439 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.152 -5.093 -4.169 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.796 -4.335 -1.524 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.198 -5.422 -1.664 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.278 -4.001 -0.596 1.00 0.00 H new ATOM 66 N ILE A 6 6.821 0.097 -2.601 1.00 0.00 N ATOM 67 CA ILE A 6 6.836 1.258 -1.718 1.00 0.00 C ATOM 68 C ILE A 6 5.534 2.041 -1.829 1.00 0.00 C ATOM 69 O ILE A 6 4.669 1.709 -2.646 1.00 0.00 O ATOM 70 CB ILE A 6 8.030 2.163 -2.053 1.00 0.00 C ATOM 71 CG1 ILE A 6 8.179 2.439 -3.558 1.00 0.00 C ATOM 72 CG2 ILE A 6 9.305 1.546 -1.481 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.853 3.787 -3.806 1.00 0.00 C ATOM 0 H ILE A 6 7.123 0.311 -3.552 1.00 0.00 H new ATOM 0 HA ILE A 6 6.936 0.906 -0.691 1.00 0.00 H new ATOM 0 HB ILE A 6 7.847 3.134 -1.592 1.00 0.00 H new ATOM 0 HG12 ILE A 6 8.766 1.645 -4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 6 7.198 2.427 -4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 6 10.156 2.185 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.210 1.452 -0.399 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.460 0.560 -1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.945 3.956 -4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.251 4.581 -3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.844 3.787 -3.352 1.00 0.00 H new ATOM 85 N MET A 7 5.385 3.069 -0.999 1.00 0.00 N ATOM 86 CA MET A 7 4.319 4.026 -1.062 1.00 0.00 C ATOM 87 C MET A 7 4.888 5.413 -0.815 1.00 0.00 C ATOM 88 O MET A 7 6.034 5.555 -0.383 1.00 0.00 O ATOM 89 CB MET A 7 3.269 3.619 -0.049 1.00 0.00 C ATOM 90 CG MET A 7 3.607 3.885 1.413 1.00 0.00 C ATOM 91 SD MET A 7 2.539 3.012 2.581 1.00 0.00 S ATOM 92 CE MET A 7 0.887 3.429 1.980 1.00 0.00 C ATOM 0 H MET A 7 6.038 3.253 -0.238 1.00 0.00 H new ATOM 0 HA MET A 7 3.843 4.052 -2.042 1.00 0.00 H new ATOM 0 HB2 MET A 7 2.342 4.141 -0.287 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.074 2.553 -0.167 1.00 0.00 H new ATOM 0 HG2 MET A 7 4.642 3.595 1.595 1.00 0.00 H new ATOM 0 HG3 MET A 7 3.538 4.956 1.603 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.155 3.236 2.764 1.00 0.00 H new ATOM 0 HE2 MET A 7 0.855 4.483 1.705 1.00 0.00 H new ATOM 0 HE3 MET A 7 0.653 2.819 1.108 1.00 0.00 H new ATOM 102 N CYS A 8 4.093 6.433 -1.102 1.00 0.00 N ATOM 103 CA CYS A 8 4.556 7.774 -1.357 1.00 0.00 C ATOM 104 C CYS A 8 3.542 8.790 -0.879 1.00 0.00 C ATOM 105 O CYS A 8 2.362 8.502 -0.654 1.00 0.00 O ATOM 106 CB CYS A 8 4.780 7.969 -2.856 1.00 0.00 C ATOM 107 SG CYS A 8 5.899 6.828 -3.695 1.00 0.00 S ATOM 0 H CYS A 8 3.079 6.340 -1.164 1.00 0.00 H new ATOM 0 HA CYS A 8 5.491 7.919 -0.817 1.00 0.00 H new ATOM 0 HB2 CYS A 8 3.810 7.911 -3.350 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.156 8.981 -3.010 1.00 0.00 H new ATOM 112 N LYS A 9 4.053 10.007 -0.735 1.00 0.00 N ATOM 113 CA LYS A 9 3.311 11.168 -0.306 1.00 0.00 C ATOM 114 C LYS A 9 2.629 11.831 -1.500 1.00 0.00 C ATOM 115 O LYS A 9 1.594 12.472 -1.354 1.00 0.00 O ATOM 116 CB LYS A 9 4.270 12.135 0.390 1.00 0.00 C ATOM 117 CG LYS A 9 5.133 11.468 1.478 1.00 0.00 C ATOM 118 CD LYS A 9 6.400 12.295 1.709 1.00 0.00 C ATOM 119 CE LYS A 9 6.118 13.577 2.496 1.00 0.00 C ATOM 120 NZ LYS A 9 6.201 13.327 3.943 1.00 0.00 N ATOM 0 H LYS A 9 5.034 10.211 -0.923 1.00 0.00 H new ATOM 0 HA LYS A 9 2.531 10.874 0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.924 12.585 -0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.695 12.944 0.839 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.567 11.386 2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.398 10.455 1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.131 11.693 2.248 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.845 12.551 0.748 1.00 0.00 H new ATOM 0 HE2 LYS A 9 6.835 14.348 2.213 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.127 13.954 2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.007 14.209 4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.500 12.607 4.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 7.155 12.989 4.183 1.00 0.00 H new ATOM 134 N ASN A 10 3.240 11.697 -2.675 1.00 0.00 N ATOM 135 CA ASN A 10 2.741 12.214 -3.936 1.00 0.00 C ATOM 136 C ASN A 10 2.694 11.048 -4.918 1.00 0.00 C ATOM 137 O ASN A 10 2.863 9.896 -4.526 1.00 0.00 O ATOM 138 CB ASN A 10 3.681 13.319 -4.437 1.00 0.00 C ATOM 139 CG ASN A 10 5.041 12.771 -4.868 1.00 0.00 C ATOM 140 OD1 ASN A 10 5.335 11.592 -4.694 1.00 0.00 O ATOM 141 ND2 ASN A 10 5.881 13.593 -5.463 1.00 0.00 N ATOM 0 H ASN A 10 4.129 11.206 -2.773 1.00 0.00 H new ATOM 0 HA ASN A 10 1.746 12.645 -3.827 1.00 0.00 H new ATOM 0 HB2 ASN A 10 3.217 13.835 -5.277 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.823 14.058 -3.648 1.00 0.00 H new ATOM 0 HD21 ASN A 10 6.787 13.252 -5.785 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.626 14.571 -5.602 1.00 0.00 H new ATOM 148 N CYS A 11 2.541 11.344 -6.204 1.00 0.00 N ATOM 149 CA CYS A 11 2.478 10.310 -7.236 1.00 0.00 C ATOM 150 C CYS A 11 3.838 9.997 -7.868 1.00 0.00 C ATOM 151 O CYS A 11 3.942 9.159 -8.765 1.00 0.00 O ATOM 152 CB CYS A 11 1.527 10.840 -8.305 1.00 0.00 C ATOM 153 SG CYS A 11 1.173 9.738 -9.682 1.00 0.00 S ATOM 0 H CYS A 11 2.458 12.296 -6.560 1.00 0.00 H new ATOM 0 HA CYS A 11 2.140 9.375 -6.788 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.584 11.099 -7.824 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.945 11.764 -8.706 1.00 0.00 H new ATOM 158 N ASP A 12 4.898 10.632 -7.372 1.00 0.00 N ATOM 159 CA ASP A 12 6.191 10.707 -8.030 1.00 0.00 C ATOM 160 C ASP A 12 7.363 10.562 -7.055 1.00 0.00 C ATOM 161 O ASP A 12 7.687 11.528 -6.358 1.00 0.00 O ATOM 162 CB ASP A 12 6.301 12.061 -8.729 1.00 0.00 C ATOM 163 CG ASP A 12 7.644 12.207 -9.416 1.00 0.00 C ATOM 164 OD1 ASP A 12 8.288 11.165 -9.657 1.00 0.00 O ATOM 165 OD2 ASP A 12 8.022 13.366 -9.674 1.00 0.00 O ATOM 0 H ASP A 12 4.876 11.120 -6.477 1.00 0.00 H new ATOM 0 HA ASP A 12 6.250 9.879 -8.737 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.500 12.163 -9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.171 12.862 -8.001 1.00 0.00 H new ATOM 170 N PRO A 13 8.061 9.415 -7.028 1.00 0.00 N ATOM 171 CA PRO A 13 9.245 9.258 -6.203 1.00 0.00 C ATOM 172 C PRO A 13 10.341 10.266 -6.548 1.00 0.00 C ATOM 173 O PRO A 13 11.237 10.479 -5.730 1.00 0.00 O ATOM 174 CB PRO A 13 9.730 7.821 -6.415 1.00 0.00 C ATOM 175 CG PRO A 13 9.135 7.428 -7.759 1.00 0.00 C ATOM 176 CD PRO A 13 7.845 8.235 -7.849 1.00 0.00 C ATOM 0 HA PRO A 13 9.001 9.449 -5.158 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.818 7.765 -6.428 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.386 7.162 -5.618 1.00 0.00 H new ATOM 0 HG2 PRO A 13 9.812 7.667 -8.579 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.939 6.357 -7.810 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.627 8.511 -8.881 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.995 7.656 -7.487 1.00 0.00 H new ATOM 184 N ASN A 14 10.338 10.862 -7.743 1.00 0.00 N ATOM 185 CA ASN A 14 11.339 11.871 -8.064 1.00 0.00 C ATOM 186 C ASN A 14 11.168 13.078 -7.153 1.00 0.00 C ATOM 187 O ASN A 14 12.147 13.595 -6.618 1.00 0.00 O ATOM 188 CB ASN A 14 11.289 12.295 -9.534 1.00 0.00 C ATOM 189 CG ASN A 14 12.657 12.815 -9.977 1.00 0.00 C ATOM 190 OD1 ASN A 14 13.147 13.842 -9.508 1.00 0.00 O ATOM 191 ND2 ASN A 14 13.325 12.092 -10.864 1.00 0.00 N ATOM 0 H ASN A 14 9.668 10.667 -8.487 1.00 0.00 H new ATOM 0 HA ASN A 14 12.320 11.426 -7.897 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.994 11.449 -10.155 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.535 13.070 -9.672 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.255 12.385 -11.164 1.00 0.00 H new ATOM 0 HD22 ASN A 14 12.910 11.243 -11.246 1.00 0.00 H new ATOM 198 N THR A 15 9.922 13.516 -6.953 1.00 0.00 N ATOM 199 CA THR A 15 9.643 14.732 -6.201 1.00 0.00 C ATOM 200 C THR A 15 8.900 14.496 -4.883 1.00 0.00 C ATOM 201 O THR A 15 8.529 15.458 -4.206 1.00 0.00 O ATOM 202 CB THR A 15 8.900 15.706 -7.133 1.00 0.00 C ATOM 203 OG1 THR A 15 7.731 15.118 -7.671 1.00 0.00 O ATOM 204 CG2 THR A 15 9.802 16.147 -8.290 1.00 0.00 C ATOM 0 H THR A 15 9.091 13.041 -7.305 1.00 0.00 H new ATOM 0 HA THR A 15 10.591 15.167 -5.882 1.00 0.00 H new ATOM 0 HB THR A 15 8.621 16.570 -6.530 1.00 0.00 H new ATOM 0 HG1 THR A 15 7.977 14.502 -8.392 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.256 16.835 -8.935 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.686 16.647 -7.893 1.00 0.00 H new ATOM 0 HG23 THR A 15 10.107 15.274 -8.866 1.00 0.00 H new ATOM 212 N GLY A 16 8.826 13.251 -4.417 1.00 0.00 N ATOM 213 CA GLY A 16 8.195 12.876 -3.162 1.00 0.00 C ATOM 214 C GLY A 16 9.025 11.835 -2.432 1.00 0.00 C ATOM 215 O GLY A 16 9.466 10.854 -3.030 1.00 0.00 O ATOM 0 H GLY A 16 9.216 12.454 -4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.074 13.758 -2.533 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.197 12.482 -3.355 1.00 0.00 H new ATOM 219 N SER A 17 9.241 12.043 -1.135 1.00 0.00 N ATOM 220 CA SER A 17 9.905 11.081 -0.281 1.00 0.00 C ATOM 221 C SER A 17 8.980 9.890 -0.057 1.00 0.00 C ATOM 222 O SER A 17 8.130 9.904 0.830 1.00 0.00 O ATOM 223 CB SER A 17 10.297 11.753 1.037 1.00 0.00 C ATOM 224 OG SER A 17 9.495 12.901 1.307 1.00 0.00 O ATOM 0 H SER A 17 8.955 12.894 -0.650 1.00 0.00 H new ATOM 0 HA SER A 17 10.818 10.717 -0.753 1.00 0.00 H new ATOM 0 HB2 SER A 17 10.195 11.038 1.854 1.00 0.00 H new ATOM 0 HB3 SER A 17 11.347 12.044 0.998 1.00 0.00 H new ATOM 0 HG SER A 17 9.773 13.302 2.157 1.00 0.00 H new ATOM 230 N CYS A 18 9.139 8.861 -0.873 1.00 0.00 N ATOM 231 CA CYS A 18 8.471 7.587 -0.691 1.00 0.00 C ATOM 232 C CYS A 18 9.201 6.841 0.406 1.00 0.00 C ATOM 233 O CYS A 18 10.412 7.031 0.533 1.00 0.00 O ATOM 234 CB CYS A 18 8.544 6.794 -1.988 1.00 0.00 C ATOM 235 SG CYS A 18 7.811 7.601 -3.424 1.00 0.00 S ATOM 0 H CYS A 18 9.746 8.890 -1.693 1.00 0.00 H new ATOM 0 HA CYS A 18 7.424 7.730 -0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.590 6.580 -2.206 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.048 5.835 -1.837 1.00 0.00 H new ATOM 240 N ASP A 19 8.518 6.016 1.201 1.00 0.00 N ATOM 241 CA ASP A 19 9.207 5.198 2.173 1.00 0.00 C ATOM 242 C ASP A 19 9.558 3.869 1.512 1.00 0.00 C ATOM 243 O ASP A 19 8.735 3.265 0.831 1.00 0.00 O ATOM 244 CB ASP A 19 8.434 5.101 3.489 1.00 0.00 C ATOM 245 CG ASP A 19 6.976 4.723 3.391 1.00 0.00 C ATOM 246 OD1 ASP A 19 6.669 3.648 2.848 1.00 0.00 O ATOM 247 OD2 ASP A 19 6.170 5.535 3.901 1.00 0.00 O ATOM 0 H ASP A 19 7.504 5.904 1.185 1.00 0.00 H new ATOM 0 HA ASP A 19 10.146 5.659 2.479 1.00 0.00 H new ATOM 0 HB2 ASP A 19 8.933 4.369 4.124 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.503 6.063 3.996 1.00 0.00 H new ATOM 252 N TRP A 20 10.830 3.498 1.649 1.00 0.00 N ATOM 253 CA TRP A 20 11.476 2.291 1.180 1.00 0.00 C ATOM 254 C TRP A 20 11.839 1.480 2.420 1.00 0.00 C ATOM 255 O TRP A 20 13.017 1.246 2.694 1.00 0.00 O ATOM 256 CB TRP A 20 12.701 2.672 0.337 1.00 0.00 C ATOM 257 CG TRP A 20 12.448 3.492 -0.896 1.00 0.00 C ATOM 258 CD1 TRP A 20 12.266 4.831 -0.945 1.00 0.00 C ATOM 259 CD2 TRP A 20 12.399 3.042 -2.282 1.00 0.00 C ATOM 260 NE1 TRP A 20 12.172 5.241 -2.257 1.00 0.00 N ATOM 261 CE2 TRP A 20 12.243 4.178 -3.129 1.00 0.00 C ATOM 262 CE3 TRP A 20 12.465 1.781 -2.904 1.00 0.00 C ATOM 263 CZ2 TRP A 20 12.178 4.071 -4.525 1.00 0.00 C ATOM 264 CZ3 TRP A 20 12.454 1.664 -4.306 1.00 0.00 C ATOM 265 CH2 TRP A 20 12.285 2.802 -5.116 1.00 0.00 C ATOM 0 H TRP A 20 11.491 4.100 2.140 1.00 0.00 H new ATOM 0 HA TRP A 20 10.832 1.690 0.538 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.394 3.222 0.974 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.205 1.754 0.036 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.204 5.481 -0.085 1.00 0.00 H new ATOM 0 HE1 TRP A 20 12.063 6.213 -2.547 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.525 0.890 -2.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 12.048 4.951 -5.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 12.576 0.694 -4.764 1.00 0.00 H new ATOM 0 HH2 TRP A 20 12.238 2.700 -6.190 1.00 0.00 H new ATOM 276 N LYS A 21 10.836 1.114 3.213 1.00 0.00 N ATOM 277 CA LYS A 21 10.956 0.099 4.245 1.00 0.00 C ATOM 278 C LYS A 21 10.532 -1.206 3.567 1.00 0.00 C ATOM 279 O LYS A 21 9.951 -1.179 2.479 1.00 0.00 O ATOM 280 CB LYS A 21 10.010 0.453 5.409 1.00 0.00 C ATOM 281 CG LYS A 21 10.732 1.049 6.622 1.00 0.00 C ATOM 282 CD LYS A 21 11.635 0.031 7.330 1.00 0.00 C ATOM 283 CE LYS A 21 11.918 0.425 8.787 1.00 0.00 C ATOM 284 NZ LYS A 21 12.788 1.612 8.940 1.00 0.00 N ATOM 0 H LYS A 21 9.904 1.523 3.152 1.00 0.00 H new ATOM 0 HA LYS A 21 11.962 0.021 4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 21 9.262 1.163 5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.476 -0.445 5.719 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.332 1.900 6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.994 1.428 7.329 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.162 -0.951 7.306 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.577 -0.055 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.970 0.617 9.290 1.00 0.00 H new ATOM 0 HE3 LYS A 21 12.383 -0.420 9.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.930 1.811 9.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.708 1.428 8.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 12.339 2.433 8.486 1.00 0.00 H new ATOM 298 N GLN A 22 10.804 -2.368 4.164 1.00 0.00 N ATOM 299 CA GLN A 22 10.146 -3.562 3.671 1.00 0.00 C ATOM 300 C GLN A 22 8.693 -3.499 4.112 1.00 0.00 C ATOM 301 O GLN A 22 8.383 -3.091 5.231 1.00 0.00 O ATOM 302 CB GLN A 22 10.791 -4.852 4.175 1.00 0.00 C ATOM 303 CG GLN A 22 10.203 -6.063 3.438 1.00 0.00 C ATOM 304 CD GLN A 22 11.176 -7.228 3.406 1.00 0.00 C ATOM 305 OE1 GLN A 22 11.496 -7.733 2.335 1.00 0.00 O ATOM 306 NE2 GLN A 22 11.651 -7.669 4.559 1.00 0.00 N ATOM 0 H GLN A 22 11.442 -2.500 4.949 1.00 0.00 H new ATOM 0 HA GLN A 22 10.236 -3.585 2.585 1.00 0.00 H new ATOM 0 HB2 GLN A 22 11.869 -4.812 4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.626 -4.955 5.248 1.00 0.00 H new ATOM 0 HG2 GLN A 22 9.280 -6.373 3.927 1.00 0.00 H new ATOM 0 HG3 GLN A 22 9.943 -5.778 2.419 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.364 -7.226 5.432 1.00 0.00 H new ATOM 0 HE22 GLN A 22 12.304 -8.452 4.575 1.00 0.00 H new ATOM 315 N ASN A 23 7.835 -3.989 3.228 1.00 0.00 N ATOM 316 CA ASN A 23 6.383 -3.923 3.325 1.00 0.00 C ATOM 317 C ASN A 23 5.781 -5.308 3.089 1.00 0.00 C ATOM 318 O ASN A 23 4.607 -5.564 3.365 1.00 0.00 O ATOM 319 CB ASN A 23 5.862 -2.924 2.288 1.00 0.00 C ATOM 320 CG ASN A 23 6.436 -1.529 2.523 1.00 0.00 C ATOM 321 OD1 ASN A 23 6.348 -0.980 3.619 1.00 0.00 O ATOM 322 ND2 ASN A 23 7.054 -0.943 1.511 1.00 0.00 N ATOM 0 H ASN A 23 8.148 -4.467 2.383 1.00 0.00 H new ATOM 0 HA ASN A 23 6.092 -3.591 4.322 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.127 -3.264 1.287 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.774 -2.884 2.333 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.468 -0.019 1.633 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.116 -1.415 0.609 1.00 0.00 H new ATOM 329 N TRP A 24 6.585 -6.235 2.565 1.00 0.00 N ATOM 330 CA TRP A 24 6.121 -7.533 2.142 1.00 0.00 C ATOM 331 C TRP A 24 5.981 -8.374 3.412 1.00 0.00 C ATOM 332 O TRP A 24 6.977 -8.697 4.060 1.00 0.00 O ATOM 333 CB TRP A 24 7.186 -8.134 1.207 1.00 0.00 C ATOM 334 CG TRP A 24 6.967 -7.877 -0.253 1.00 0.00 C ATOM 335 CD1 TRP A 24 7.526 -6.839 -0.919 1.00 0.00 C ATOM 336 CD2 TRP A 24 6.063 -8.517 -1.212 1.00 0.00 C ATOM 337 NE1 TRP A 24 6.967 -6.743 -2.171 1.00 0.00 N ATOM 338 CE2 TRP A 24 5.994 -7.693 -2.369 1.00 0.00 C ATOM 339 CE3 TRP A 24 5.227 -9.657 -1.206 1.00 0.00 C ATOM 340 CZ2 TRP A 24 5.082 -7.926 -3.402 1.00 0.00 C ATOM 341 CZ3 TRP A 24 4.242 -9.850 -2.193 1.00 0.00 C ATOM 342 CH2 TRP A 24 4.150 -8.963 -3.276 1.00 0.00 C ATOM 0 H TRP A 24 7.585 -6.092 2.426 1.00 0.00 H new ATOM 0 HA TRP A 24 5.171 -7.492 1.610 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.161 -7.735 1.488 1.00 0.00 H new ATOM 0 HB3 TRP A 24 7.223 -9.211 1.369 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.293 -6.187 -0.527 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.241 -6.051 -2.868 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.347 -10.396 -0.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.096 -7.311 -4.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.557 -10.681 -2.116 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.365 -9.079 -4.008 1.00 0.00 H new ATOM 353 N ASN A 25 4.746 -8.727 3.766 1.00 0.00 N ATOM 354 CA ASN A 25 4.439 -9.631 4.873 1.00 0.00 C ATOM 355 C ASN A 25 4.872 -9.039 6.210 1.00 0.00 C ATOM 356 O ASN A 25 5.452 -9.722 7.045 1.00 0.00 O ATOM 357 CB ASN A 25 5.052 -11.017 4.629 1.00 0.00 C ATOM 358 CG ASN A 25 4.578 -12.067 5.630 1.00 0.00 C ATOM 359 OD1 ASN A 25 3.496 -11.961 6.209 1.00 0.00 O ATOM 360 ND2 ASN A 25 5.358 -13.119 5.831 1.00 0.00 N ATOM 0 H ASN A 25 3.915 -8.386 3.282 1.00 0.00 H new ATOM 0 HA ASN A 25 3.357 -9.757 4.921 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.801 -11.346 3.621 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.138 -10.941 4.679 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.065 -13.856 6.473 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.251 -13.192 5.344 1.00 0.00 H new ATOM 367 N THR A 26 4.576 -7.761 6.424 1.00 0.00 N ATOM 368 CA THR A 26 4.873 -7.055 7.659 1.00 0.00 C ATOM 369 C THR A 26 3.736 -6.079 7.963 1.00 0.00 C ATOM 370 O THR A 26 3.160 -5.497 7.048 1.00 0.00 O ATOM 371 CB THR A 26 6.248 -6.378 7.560 1.00 0.00 C ATOM 372 OG1 THR A 26 6.423 -5.407 8.573 1.00 0.00 O ATOM 373 CG2 THR A 26 6.473 -5.773 6.175 1.00 0.00 C ATOM 0 H THR A 26 4.113 -7.178 5.727 1.00 0.00 H new ATOM 0 HA THR A 26 4.935 -7.750 8.497 1.00 0.00 H new ATOM 0 HB THR A 26 7.001 -7.152 7.711 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.308 -4.996 8.483 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.455 -5.302 6.139 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.420 -6.559 5.422 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.705 -5.026 5.975 1.00 0.00 H new ATOM 381 N CYS A 27 3.391 -5.963 9.244 1.00 0.00 N ATOM 382 CA CYS A 27 2.378 -5.082 9.798 1.00 0.00 C ATOM 383 C CYS A 27 2.953 -3.667 9.915 1.00 0.00 C ATOM 384 O CYS A 27 3.388 -3.274 11.001 1.00 0.00 O ATOM 385 CB CYS A 27 1.997 -5.630 11.179 1.00 0.00 C ATOM 386 SG CYS A 27 0.776 -4.720 12.151 1.00 0.00 S ATOM 0 H CYS A 27 3.845 -6.522 9.966 1.00 0.00 H new ATOM 0 HA CYS A 27 1.495 -5.039 9.160 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.625 -6.645 11.043 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.909 -5.701 11.772 1.00 0.00 H new ATOM 391 N VAL A 28 3.037 -2.920 8.813 1.00 0.00 N ATOM 392 CA VAL A 28 3.676 -1.602 8.803 1.00 0.00 C ATOM 393 C VAL A 28 2.611 -0.536 9.056 1.00 0.00 C ATOM 394 O VAL A 28 1.595 -0.540 8.366 1.00 0.00 O ATOM 395 CB VAL A 28 4.401 -1.332 7.472 1.00 0.00 C ATOM 396 CG1 VAL A 28 5.325 -0.114 7.612 1.00 0.00 C ATOM 397 CG2 VAL A 28 5.261 -2.521 7.041 1.00 0.00 C ATOM 0 H VAL A 28 2.667 -3.209 7.907 1.00 0.00 H new ATOM 0 HA VAL A 28 4.429 -1.572 9.590 1.00 0.00 H new ATOM 0 HB VAL A 28 3.630 -1.155 6.722 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.833 0.068 6.665 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.734 0.762 7.881 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.065 -0.306 8.389 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.755 -2.290 6.097 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.012 -2.722 7.804 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.629 -3.400 6.913 1.00 0.00 H new ATOM 407 N GLY A 29 2.822 0.352 10.032 1.00 0.00 N ATOM 408 CA GLY A 29 1.992 1.513 10.293 1.00 0.00 C ATOM 409 C GLY A 29 2.443 2.716 9.468 1.00 0.00 C ATOM 410 O GLY A 29 3.643 2.935 9.322 1.00 0.00 O ATOM 0 H GLY A 29 3.605 0.272 10.680 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.953 1.279 10.061 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.033 1.761 11.354 1.00 0.00 H new ATOM 414 N ILE A 30 1.496 3.487 8.936 1.00 0.00 N ATOM 415 CA ILE A 30 1.695 4.615 8.026 1.00 0.00 C ATOM 416 C ILE A 30 0.830 5.781 8.489 1.00 0.00 C ATOM 417 O ILE A 30 -0.073 5.603 9.307 1.00 0.00 O ATOM 418 CB ILE A 30 1.308 4.233 6.577 1.00 0.00 C ATOM 419 CG1 ILE A 30 1.817 2.841 6.191 1.00 0.00 C ATOM 420 CG2 ILE A 30 1.789 5.254 5.542 1.00 0.00 C ATOM 421 CD1 ILE A 30 3.340 2.838 6.157 1.00 0.00 C ATOM 0 H ILE A 30 0.509 3.332 9.141 1.00 0.00 H new ATOM 0 HA ILE A 30 2.749 4.894 8.037 1.00 0.00 H new ATOM 0 HB ILE A 30 0.218 4.227 6.567 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.459 2.102 6.907 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.422 2.557 5.216 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.488 4.931 4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.347 6.227 5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 30 2.875 5.332 5.585 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.696 1.845 5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.689 3.565 5.423 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.726 3.102 7.141 1.00 0.00 H new ATOM 433 N GLY A 31 1.100 6.969 7.959 1.00 0.00 N ATOM 434 CA GLY A 31 0.227 8.122 7.988 1.00 0.00 C ATOM 435 C GLY A 31 1.062 9.335 7.588 1.00 0.00 C ATOM 436 O GLY A 31 2.203 9.186 7.149 1.00 0.00 O ATOM 0 H GLY A 31 1.978 7.156 7.475 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.609 7.988 7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.196 8.258 8.983 1.00 0.00 H new ATOM 440 N ALA A 32 0.493 10.524 7.736 1.00 0.00 N ATOM 441 CA ALA A 32 1.136 11.816 7.583 1.00 0.00 C ATOM 442 C ALA A 32 1.549 12.125 6.156 1.00 0.00 C ATOM 443 O ALA A 32 2.714 12.010 5.786 1.00 0.00 O ATOM 444 CB ALA A 32 2.243 12.036 8.618 1.00 0.00 C ATOM 0 H ALA A 32 -0.493 10.614 7.982 1.00 0.00 H new ATOM 0 HA ALA A 32 0.375 12.565 7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.695 13.016 8.464 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.819 11.985 9.621 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.004 11.264 8.507 1.00 0.00 H new ATOM 450 N ASN A 33 0.565 12.569 5.373 1.00 0.00 N ATOM 451 CA ASN A 33 0.679 12.993 3.977 1.00 0.00 C ATOM 452 C ASN A 33 0.922 11.806 3.061 1.00 0.00 C ATOM 453 O ASN A 33 1.132 12.003 1.872 1.00 0.00 O ATOM 454 CB ASN A 33 1.774 14.049 3.730 1.00 0.00 C ATOM 455 CG ASN A 33 1.600 15.317 4.547 1.00 0.00 C ATOM 456 OD1 ASN A 33 0.650 15.446 5.316 1.00 0.00 O ATOM 457 ND2 ASN A 33 2.514 16.271 4.412 1.00 0.00 N ATOM 0 H ASN A 33 -0.392 12.647 5.718 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.279 13.459 3.747 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.746 13.611 3.959 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.783 14.309 2.671 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.436 17.132 4.953 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.294 16.142 3.768 1.00 0.00 H new ATOM 464 N VAL A 34 0.914 10.586 3.593 1.00 0.00 N ATOM 465 CA VAL A 34 1.126 9.393 2.783 1.00 0.00 C ATOM 466 C VAL A 34 -0.226 8.925 2.263 1.00 0.00 C ATOM 467 O VAL A 34 -1.074 8.497 3.049 1.00 0.00 O ATOM 468 CB VAL A 34 1.862 8.330 3.604 1.00 0.00 C ATOM 469 CG1 VAL A 34 2.096 7.088 2.742 1.00 0.00 C ATOM 470 CG2 VAL A 34 3.226 8.850 4.071 1.00 0.00 C ATOM 0 H VAL A 34 0.762 10.399 4.584 1.00 0.00 H new ATOM 0 HA VAL A 34 1.761 9.603 1.922 1.00 0.00 H new ATOM 0 HB VAL A 34 1.248 8.088 4.472 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.620 6.332 3.327 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.137 6.690 2.410 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.698 7.356 1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.730 8.078 4.652 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.834 9.107 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.085 9.736 4.690 1.00 0.00 H new ATOM 480 N HIS A 35 -0.451 9.038 0.953 1.00 0.00 N ATOM 481 CA HIS A 35 -1.679 8.560 0.340 1.00 0.00 C ATOM 482 C HIS A 35 -1.492 8.021 -1.074 1.00 0.00 C ATOM 483 O HIS A 35 -2.450 8.036 -1.842 1.00 0.00 O ATOM 484 CB HIS A 35 -2.772 9.632 0.409 1.00 0.00 C ATOM 485 CG HIS A 35 -2.596 10.847 -0.464 1.00 0.00 C ATOM 486 ND1 HIS A 35 -3.511 11.290 -1.390 1.00 0.00 N ATOM 487 CD2 HIS A 35 -1.628 11.808 -0.350 1.00 0.00 C ATOM 488 CE1 HIS A 35 -3.113 12.499 -1.813 1.00 0.00 C ATOM 489 NE2 HIS A 35 -1.960 12.855 -1.218 1.00 0.00 N ATOM 0 H HIS A 35 0.208 9.459 0.298 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.003 7.700 0.927 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.722 9.164 0.150 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.853 9.967 1.443 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -0.762 11.766 0.295 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -3.645 13.104 -2.532 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.433 13.715 -1.369 1.00 0.00 H new ATOM 497 N TRP A 36 -0.305 7.540 -1.447 1.00 0.00 N ATOM 498 CA TRP A 36 -0.135 6.965 -2.784 1.00 0.00 C ATOM 499 C TRP A 36 0.688 5.689 -2.742 1.00 0.00 C ATOM 500 O TRP A 36 1.874 5.734 -2.458 1.00 0.00 O ATOM 501 CB TRP A 36 0.538 7.969 -3.712 1.00 0.00 C ATOM 502 CG TRP A 36 -0.137 9.294 -3.859 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.151 10.269 -2.927 1.00 0.00 C ATOM 504 CD2 TRP A 36 -0.928 9.798 -4.973 1.00 0.00 C ATOM 505 NE1 TRP A 36 -0.847 11.351 -3.407 1.00 0.00 N ATOM 506 CE2 TRP A 36 -1.370 11.114 -4.657 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.349 9.259 -6.205 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -2.187 11.861 -5.518 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.142 10.008 -7.095 1.00 0.00 C ATOM 510 CH2 TRP A 36 -2.595 11.290 -6.734 1.00 0.00 C ATOM 0 H TRP A 36 0.531 7.535 -0.863 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.128 6.723 -3.163 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.552 8.140 -3.352 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.623 7.517 -4.700 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.313 10.208 -1.954 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.963 12.227 -2.897 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.058 8.254 -6.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.498 12.860 -5.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.404 9.597 -8.059 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.256 11.835 -7.392 1.00 0.00 H new ATOM 521 N MET A 37 0.109 4.544 -3.070 1.00 0.00 N ATOM 522 CA MET A 37 0.892 3.335 -3.261 1.00 0.00 C ATOM 523 C MET A 37 1.395 3.378 -4.698 1.00 0.00 C ATOM 524 O MET A 37 0.599 3.324 -5.636 1.00 0.00 O ATOM 525 CB MET A 37 0.022 2.119 -2.951 1.00 0.00 C ATOM 526 CG MET A 37 0.776 0.793 -2.835 1.00 0.00 C ATOM 527 SD MET A 37 -0.326 -0.602 -2.473 1.00 0.00 S ATOM 528 CE MET A 37 0.859 -1.916 -2.127 1.00 0.00 C ATOM 0 H MET A 37 -0.895 4.428 -3.209 1.00 0.00 H new ATOM 0 HA MET A 37 1.749 3.265 -2.591 1.00 0.00 H new ATOM 0 HB2 MET A 37 -0.508 2.300 -2.016 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.732 2.023 -3.732 1.00 0.00 H new ATOM 0 HG2 MET A 37 1.309 0.599 -3.766 1.00 0.00 H new ATOM 0 HG3 MET A 37 1.526 0.873 -2.049 1.00 0.00 H new ATOM 0 HE1 MET A 37 0.324 -2.835 -1.888 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.487 -2.079 -3.003 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.483 -1.629 -1.281 1.00 0.00 H new ATOM 538 N VAL A 38 2.705 3.500 -4.871 1.00 0.00 N ATOM 539 CA VAL A 38 3.337 3.674 -6.171 1.00 0.00 C ATOM 540 C VAL A 38 4.266 2.486 -6.380 1.00 0.00 C ATOM 541 O VAL A 38 5.375 2.446 -5.847 1.00 0.00 O ATOM 542 CB VAL A 38 4.043 5.036 -6.265 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.482 5.292 -7.710 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.129 6.189 -5.827 1.00 0.00 C ATOM 0 H VAL A 38 3.369 3.480 -4.097 1.00 0.00 H new ATOM 0 HA VAL A 38 2.601 3.690 -6.975 1.00 0.00 H new ATOM 0 HB VAL A 38 4.903 5.000 -5.597 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.982 6.259 -7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.169 4.507 -8.026 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.608 5.293 -8.361 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.669 7.132 -5.909 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.248 6.218 -6.467 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.821 6.036 -4.793 1.00 0.00 H new ATOM 554 N THR A 39 3.767 1.489 -7.099 1.00 0.00 N ATOM 555 CA THR A 39 4.285 0.129 -7.062 1.00 0.00 C ATOM 556 C THR A 39 5.107 -0.148 -8.321 1.00 0.00 C ATOM 557 O THR A 39 4.753 0.329 -9.399 1.00 0.00 O ATOM 558 CB THR A 39 3.082 -0.798 -6.865 1.00 0.00 C ATOM 559 OG1 THR A 39 3.432 -2.121 -6.544 1.00 0.00 O ATOM 560 CG2 THR A 39 2.151 -0.836 -8.075 1.00 0.00 C ATOM 0 H THR A 39 2.978 1.605 -7.735 1.00 0.00 H new ATOM 0 HA THR A 39 4.977 -0.040 -6.237 1.00 0.00 H new ATOM 0 HB THR A 39 2.561 -0.356 -6.016 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.619 -2.656 -6.431 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.319 -1.510 -7.873 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.767 0.165 -8.271 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.701 -1.190 -8.947 1.00 0.00 H new ATOM 568 N GLY A 40 6.218 -0.872 -8.191 1.00 0.00 N ATOM 569 CA GLY A 40 7.207 -1.018 -9.249 1.00 0.00 C ATOM 570 C GLY A 40 6.929 -2.231 -10.118 1.00 0.00 C ATOM 571 O GLY A 40 5.923 -2.921 -9.946 1.00 0.00 O ATOM 0 H GLY A 40 6.456 -1.378 -7.338 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.212 -0.121 -9.868 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.200 -1.107 -8.808 1.00 0.00 H new ATOM 626 N LYS A 46 2.404 -8.672 -12.887 1.00 0.00 N ATOM 627 CA LYS A 46 1.821 -9.113 -11.633 1.00 0.00 C ATOM 628 C LYS A 46 1.659 -7.908 -10.717 1.00 0.00 C ATOM 629 O LYS A 46 2.647 -7.376 -10.208 1.00 0.00 O ATOM 630 CB LYS A 46 2.651 -10.227 -10.988 1.00 0.00 C ATOM 631 CG LYS A 46 2.903 -11.344 -11.999 1.00 0.00 C ATOM 632 CD LYS A 46 3.619 -12.551 -11.388 1.00 0.00 C ATOM 633 CE LYS A 46 4.613 -13.141 -12.393 1.00 0.00 C ATOM 634 NZ LYS A 46 3.983 -13.455 -13.694 1.00 0.00 N ATOM 0 HA LYS A 46 0.838 -9.545 -11.820 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.600 -9.825 -10.633 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.128 -10.624 -10.118 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.951 -11.668 -12.420 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.500 -10.953 -12.823 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.143 -12.251 -10.480 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.890 -13.308 -11.100 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.429 -12.436 -12.549 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.051 -14.048 -11.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.620 -14.060 -14.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.084 -13.953 -13.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.801 -12.573 -14.214 1.00 0.00 H new ATOM 648 N GLN A 47 0.410 -7.485 -10.551 1.00 0.00 N ATOM 649 CA GLN A 47 -0.017 -6.430 -9.652 1.00 0.00 C ATOM 650 C GLN A 47 0.587 -6.571 -8.258 1.00 0.00 C ATOM 651 O GLN A 47 0.946 -7.670 -7.837 1.00 0.00 O ATOM 652 CB GLN A 47 -1.545 -6.487 -9.571 1.00 0.00 C ATOM 653 CG GLN A 47 -2.014 -7.786 -8.899 1.00 0.00 C ATOM 654 CD GLN A 47 -3.446 -8.082 -9.290 1.00 0.00 C ATOM 655 OE1 GLN A 47 -3.615 -8.627 -10.484 1.00 0.00 O flip ATOM 656 NE2 GLN A 47 -4.392 -7.787 -8.569 1.00 0.00 N flip ATOM 0 H GLN A 47 -0.368 -7.893 -11.069 1.00 0.00 H new ATOM 0 HA GLN A 47 0.327 -5.471 -10.040 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.915 -5.629 -9.009 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.968 -6.419 -10.573 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.369 -8.613 -9.196 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.936 -7.694 -7.816 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.225 -7.368 -7.654 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.347 -7.960 -8.884 1.00 0.00 H new ATOM 665 N GLY A 48 0.642 -5.463 -7.528 1.00 0.00 N ATOM 666 CA GLY A 48 0.920 -5.475 -6.107 1.00 0.00 C ATOM 667 C GLY A 48 -0.380 -5.146 -5.398 1.00 0.00 C ATOM 668 O GLY A 48 -1.095 -4.221 -5.794 1.00 0.00 O ATOM 0 H GLY A 48 0.494 -4.530 -7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.293 -6.451 -5.795 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.690 -4.745 -5.859 1.00 0.00 H new ATOM 672 N CYS A 49 -0.704 -5.900 -4.355 1.00 0.00 N ATOM 673 CA CYS A 49 -1.907 -5.696 -3.582 1.00 0.00 C ATOM 674 C CYS A 49 -1.554 -5.733 -2.119 1.00 0.00 C ATOM 675 O CYS A 49 -0.568 -6.371 -1.744 1.00 0.00 O ATOM 676 CB CYS A 49 -2.914 -6.809 -3.848 1.00 0.00 C ATOM 677 SG CYS A 49 -3.400 -7.139 -5.552 1.00 0.00 S ATOM 0 H CYS A 49 -0.129 -6.675 -4.025 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.342 -4.737 -3.863 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.506 -7.731 -3.435 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.818 -6.580 -3.284 1.00 0.00 H new ATOM 682 N ALA A 50 -2.373 -5.089 -1.293 1.00 0.00 N ATOM 683 CA ALA A 50 -2.186 -5.078 0.150 1.00 0.00 C ATOM 684 C ALA A 50 -3.515 -5.137 0.880 1.00 0.00 C ATOM 685 O ALA A 50 -4.516 -4.625 0.386 1.00 0.00 O ATOM 686 CB ALA A 50 -1.412 -3.826 0.566 1.00 0.00 C ATOM 0 H ALA A 50 -3.186 -4.560 -1.608 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.614 -5.964 0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.276 -3.825 1.647 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.437 -3.822 0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.970 -2.938 0.270 1.00 0.00 H new ATOM 692 N THR A 51 -3.514 -5.738 2.067 1.00 0.00 N ATOM 693 CA THR A 51 -4.553 -5.492 3.042 1.00 0.00 C ATOM 694 C THR A 51 -4.123 -4.229 3.786 1.00 0.00 C ATOM 695 O THR A 51 -2.987 -4.160 4.253 1.00 0.00 O ATOM 696 CB THR A 51 -4.678 -6.692 3.992 1.00 0.00 C ATOM 697 OG1 THR A 51 -4.619 -7.918 3.290 1.00 0.00 O ATOM 698 CG2 THR A 51 -5.987 -6.646 4.784 1.00 0.00 C ATOM 0 H THR A 51 -2.799 -6.400 2.370 1.00 0.00 H new ATOM 0 HA THR A 51 -5.532 -5.359 2.582 1.00 0.00 H new ATOM 0 HB THR A 51 -3.835 -6.628 4.680 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.700 -8.662 3.923 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.042 -7.510 5.446 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.022 -5.732 5.377 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.831 -6.663 4.094 1.00 0.00 H new ATOM 706 N ILE A 52 -4.989 -3.225 3.851 1.00 0.00 N ATOM 707 CA ILE A 52 -4.689 -1.906 4.382 1.00 0.00 C ATOM 708 C ILE A 52 -5.669 -1.674 5.537 1.00 0.00 C ATOM 709 O ILE A 52 -6.865 -1.905 5.357 1.00 0.00 O ATOM 710 CB ILE A 52 -4.842 -0.865 3.257 1.00 0.00 C ATOM 711 CG1 ILE A 52 -4.102 -1.277 1.969 1.00 0.00 C ATOM 712 CG2 ILE A 52 -4.326 0.493 3.726 1.00 0.00 C ATOM 713 CD1 ILE A 52 -4.251 -0.247 0.846 1.00 0.00 C ATOM 0 H ILE A 52 -5.951 -3.312 3.524 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.667 -1.819 4.752 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.905 -0.803 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.044 -1.415 2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -4.484 -2.239 1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.439 1.222 2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.897 0.819 4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.273 0.409 3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.710 -0.589 -0.036 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.306 -0.127 0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.843 0.710 1.173 1.00 0.00 H new ATOM 725 N TRP A 53 -5.184 -1.295 6.720 1.00 0.00 N ATOM 726 CA TRP A 53 -5.948 -1.178 7.955 1.00 0.00 C ATOM 727 C TRP A 53 -6.120 0.262 8.422 1.00 0.00 C ATOM 728 O TRP A 53 -5.269 1.122 8.198 1.00 0.00 O ATOM 729 CB TRP A 53 -5.259 -1.948 9.083 1.00 0.00 C ATOM 730 CG TRP A 53 -5.554 -3.406 9.160 1.00 0.00 C ATOM 731 CD1 TRP A 53 -6.583 -3.970 9.826 1.00 0.00 C ATOM 732 CD2 TRP A 53 -4.857 -4.496 8.505 1.00 0.00 C ATOM 733 NE1 TRP A 53 -6.561 -5.333 9.639 1.00 0.00 N ATOM 734 CE2 TRP A 53 -5.517 -5.717 8.825 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.743 -4.564 7.650 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -5.088 -6.951 8.317 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -3.305 -5.792 7.136 1.00 0.00 C ATOM 738 CH2 TRP A 53 -3.977 -6.982 7.462 1.00 0.00 C ATOM 0 H TRP A 53 -4.202 -1.051 6.845 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.932 -1.591 7.731 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.182 -1.822 8.976 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.541 -1.491 10.032 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -7.312 -3.434 10.415 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.234 -5.979 10.052 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.218 -3.658 7.386 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.604 -7.862 8.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.444 -5.824 6.484 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -3.637 -7.922 7.053 1.00 0.00 H new ATOM 749 N GLU A 54 -7.207 0.456 9.163 1.00 0.00 N ATOM 750 CA GLU A 54 -7.582 1.657 9.874 1.00 0.00 C ATOM 751 C GLU A 54 -6.630 1.931 11.033 1.00 0.00 C ATOM 752 O GLU A 54 -6.234 3.071 11.262 1.00 0.00 O ATOM 753 CB GLU A 54 -9.022 1.386 10.343 1.00 0.00 C ATOM 754 CG GLU A 54 -9.619 2.218 11.479 1.00 0.00 C ATOM 755 CD GLU A 54 -10.120 3.579 11.056 1.00 0.00 C ATOM 756 OE1 GLU A 54 -10.975 3.628 10.154 1.00 0.00 O ATOM 757 OE2 GLU A 54 -9.819 4.566 11.757 1.00 0.00 O ATOM 0 H GLU A 54 -7.897 -0.285 9.286 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.526 2.552 9.254 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.674 1.502 9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.075 0.340 10.643 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.444 1.663 11.926 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.864 2.347 12.255 1.00 0.00 H new ATOM 764 N GLY A 55 -6.313 0.905 11.816 1.00 0.00 N ATOM 765 CA GLY A 55 -5.532 1.076 13.026 1.00 0.00 C ATOM 766 C GLY A 55 -4.057 1.292 12.717 1.00 0.00 C ATOM 767 O GLY A 55 -3.575 0.857 11.673 1.00 0.00 O ATOM 0 H GLY A 55 -6.590 -0.059 11.628 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.915 1.927 13.589 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.646 0.197 13.660 1.00 0.00 H new ATOM 771 N SER A 56 -3.331 1.906 13.653 1.00 0.00 N ATOM 772 CA SER A 56 -1.880 1.902 13.709 1.00 0.00 C ATOM 773 C SER A 56 -1.469 0.544 14.284 1.00 0.00 C ATOM 774 O SER A 56 -1.916 0.173 15.371 1.00 0.00 O ATOM 775 CB SER A 56 -1.376 3.027 14.623 1.00 0.00 C ATOM 776 OG SER A 56 -1.989 4.256 14.297 1.00 0.00 O ATOM 0 H SER A 56 -3.757 2.435 14.414 1.00 0.00 H new ATOM 0 HA SER A 56 -1.453 2.063 12.719 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.585 2.777 15.663 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.294 3.120 14.529 1.00 0.00 H new ATOM 0 HG SER A 56 -1.654 4.957 14.894 1.00 0.00 H new ATOM 782 N GLY A 57 -0.665 -0.216 13.561 1.00 0.00 N ATOM 783 CA GLY A 57 -0.263 -1.555 13.913 1.00 0.00 C ATOM 784 C GLY A 57 -1.338 -2.570 13.528 1.00 0.00 C ATOM 785 O GLY A 57 -1.598 -3.517 14.264 1.00 0.00 O ATOM 0 H GLY A 57 -0.262 0.101 12.679 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.672 -1.802 13.410 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.072 -1.611 14.985 1.00 0.00 H new ATOM 789 N CYS A 58 -1.925 -2.393 12.340 1.00 0.00 N ATOM 790 CA CYS A 58 -2.770 -3.357 11.636 1.00 0.00 C ATOM 791 C CYS A 58 -3.812 -4.012 12.538 1.00 0.00 C ATOM 792 O CYS A 58 -3.920 -5.235 12.628 1.00 0.00 O ATOM 793 CB CYS A 58 -1.970 -4.371 10.799 1.00 0.00 C ATOM 794 SG CYS A 58 -1.048 -5.636 11.699 1.00 0.00 S ATOM 0 H CYS A 58 -1.816 -1.524 11.817 1.00 0.00 H new ATOM 0 HA CYS A 58 -3.337 -2.770 10.913 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.663 -4.874 10.124 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.266 -3.817 10.179 1.00 0.00 H new ATOM 799 N VAL A 59 -4.631 -3.167 13.157 1.00 0.00 N ATOM 800 CA VAL A 59 -5.879 -3.507 13.806 1.00 0.00 C ATOM 801 C VAL A 59 -6.962 -2.627 13.179 1.00 0.00 C ATOM 802 O VAL A 59 -6.654 -1.782 12.339 1.00 0.00 O ATOM 803 CB VAL A 59 -5.747 -3.271 15.319 1.00 0.00 C ATOM 804 CG1 VAL A 59 -4.896 -4.363 15.969 1.00 0.00 C ATOM 805 CG2 VAL A 59 -5.179 -1.901 15.705 1.00 0.00 C ATOM 0 H VAL A 59 -4.423 -2.170 13.219 1.00 0.00 H new ATOM 0 HA VAL A 59 -6.141 -4.556 13.669 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.770 -3.303 15.693 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.817 -4.174 17.040 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.363 -5.334 15.805 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.900 -4.360 15.526 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.122 -1.824 16.791 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -4.182 -1.788 15.280 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.829 -1.116 15.319 1.00 0.00 H new ATOM 815 N GLY A 60 -8.222 -2.813 13.558 1.00 0.00 N ATOM 816 CA GLY A 60 -9.305 -1.965 13.102 1.00 0.00 C ATOM 817 C GLY A 60 -9.918 -2.527 11.827 1.00 0.00 C ATOM 818 O GLY A 60 -9.750 -3.706 11.511 1.00 0.00 O ATOM 0 H GLY A 60 -8.516 -3.558 14.190 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -10.068 -1.890 13.877 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.934 -0.956 12.921 1.00 0.00 H new ATOM 822 N ARG A 61 -10.635 -1.686 11.087 1.00 0.00 N ATOM 823 CA ARG A 61 -11.244 -2.058 9.823 1.00 0.00 C ATOM 824 C ARG A 61 -10.144 -2.180 8.800 1.00 0.00 C ATOM 825 O ARG A 61 -9.049 -1.668 9.024 1.00 0.00 O ATOM 826 CB ARG A 61 -12.314 -1.017 9.465 1.00 0.00 C ATOM 827 CG ARG A 61 -13.204 -1.434 8.290 1.00 0.00 C ATOM 828 CD ARG A 61 -14.345 -0.426 8.128 1.00 0.00 C ATOM 829 NE ARG A 61 -15.161 -0.723 6.936 1.00 0.00 N ATOM 830 CZ ARG A 61 -16.115 0.092 6.461 1.00 0.00 C ATOM 831 NH1 ARG A 61 -16.350 1.254 7.083 1.00 0.00 N ATOM 832 NH2 ARG A 61 -16.815 -0.240 5.373 1.00 0.00 N ATOM 0 H ARG A 61 -10.809 -0.717 11.355 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.754 -3.020 9.869 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.940 -0.836 10.339 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.825 -0.073 9.223 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.615 -1.483 7.374 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.608 -2.432 8.463 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.976 -0.443 9.016 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.935 0.581 8.048 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.990 -1.600 6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.807 1.510 7.907 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.072 1.883 6.733 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.627 -1.121 4.894 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -17.538 0.387 5.021 1.00 0.00 H new ATOM 846 N SER A 62 -10.409 -2.878 7.700 1.00 0.00 N ATOM 847 CA SER A 62 -9.449 -2.908 6.630 1.00 0.00 C ATOM 848 C SER A 62 -10.120 -2.955 5.268 1.00 0.00 C ATOM 849 O SER A 62 -11.301 -3.285 5.162 1.00 0.00 O ATOM 850 CB SER A 62 -8.450 -4.047 6.844 1.00 0.00 C ATOM 851 OG SER A 62 -9.102 -5.249 7.210 1.00 0.00 O ATOM 0 H SER A 62 -11.261 -3.414 7.538 1.00 0.00 H new ATOM 0 HA SER A 62 -8.885 -1.975 6.646 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.878 -4.206 5.930 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.739 -3.767 7.621 1.00 0.00 H new ATOM 0 HG SER A 62 -8.436 -5.957 7.338 1.00 0.00 H new ATOM 857 N THR A 63 -9.370 -2.587 4.234 1.00 0.00 N ATOM 858 CA THR A 63 -9.679 -2.891 2.850 1.00 0.00 C ATOM 859 C THR A 63 -8.639 -3.910 2.391 1.00 0.00 C ATOM 860 O THR A 63 -7.572 -4.006 2.998 1.00 0.00 O ATOM 861 CB THR A 63 -9.700 -1.607 1.998 1.00 0.00 C ATOM 862 OG1 THR A 63 -10.031 -1.914 0.657 1.00 0.00 O ATOM 863 CG2 THR A 63 -8.375 -0.845 2.026 1.00 0.00 C ATOM 0 H THR A 63 -8.507 -2.054 4.344 1.00 0.00 H new ATOM 0 HA THR A 63 -10.676 -3.316 2.736 1.00 0.00 H new ATOM 0 HB THR A 63 -10.458 -0.960 2.440 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.043 -1.090 0.126 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.456 0.048 1.407 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.143 -0.556 3.051 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.580 -1.483 1.640 1.00 0.00 H new ATOM 871 N THR A 64 -8.934 -4.652 1.329 1.00 0.00 N ATOM 872 CA THR A 64 -7.929 -5.337 0.539 1.00 0.00 C ATOM 873 C THR A 64 -7.904 -4.587 -0.785 1.00 0.00 C ATOM 874 O THR A 64 -8.927 -4.564 -1.472 1.00 0.00 O ATOM 875 CB THR A 64 -8.267 -6.829 0.416 1.00 0.00 C ATOM 876 OG1 THR A 64 -8.534 -7.331 1.717 1.00 0.00 O ATOM 877 CG2 THR A 64 -7.089 -7.600 -0.188 1.00 0.00 C ATOM 0 H THR A 64 -9.887 -4.793 0.993 1.00 0.00 H new ATOM 0 HA THR A 64 -6.936 -5.329 0.988 1.00 0.00 H new ATOM 0 HB THR A 64 -9.133 -6.954 -0.235 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.754 -8.284 1.661 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.348 -8.656 -0.267 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.866 -7.206 -1.179 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.214 -7.488 0.452 1.00 0.00 H new ATOM 885 N MET A 65 -6.807 -3.878 -1.060 1.00 0.00 N ATOM 886 CA MET A 65 -6.702 -2.968 -2.195 1.00 0.00 C ATOM 887 C MET A 65 -5.566 -3.397 -3.133 1.00 0.00 C ATOM 888 O MET A 65 -4.410 -3.487 -2.705 1.00 0.00 O ATOM 889 CB MET A 65 -6.481 -1.558 -1.633 1.00 0.00 C ATOM 890 CG MET A 65 -6.886 -0.428 -2.587 1.00 0.00 C ATOM 891 SD MET A 65 -8.552 0.260 -2.371 1.00 0.00 S ATOM 892 CE MET A 65 -9.598 -1.143 -2.805 1.00 0.00 C ATOM 0 H MET A 65 -5.960 -3.922 -0.493 1.00 0.00 H new ATOM 0 HA MET A 65 -7.613 -2.986 -2.793 1.00 0.00 H new ATOM 0 HB2 MET A 65 -7.047 -1.456 -0.707 1.00 0.00 H new ATOM 0 HB3 MET A 65 -5.428 -1.442 -1.378 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.166 0.383 -2.480 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.800 -0.797 -3.609 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.633 -0.813 -2.888 1.00 0.00 H new ATOM 0 HE2 MET A 65 -9.272 -1.559 -3.759 1.00 0.00 H new ATOM 0 HE3 MET A 65 -9.522 -1.907 -2.031 1.00 0.00 H new ATOM 902 N CYS A 66 -5.878 -3.646 -4.407 1.00 0.00 N ATOM 903 CA CYS A 66 -4.924 -4.059 -5.439 1.00 0.00 C ATOM 904 C CYS A 66 -4.608 -2.927 -6.409 1.00 0.00 C ATOM 905 O CYS A 66 -5.471 -2.088 -6.672 1.00 0.00 O ATOM 906 CB CYS A 66 -5.516 -5.184 -6.290 1.00 0.00 C ATOM 907 SG CYS A 66 -5.455 -6.824 -5.578 1.00 0.00 S ATOM 0 H CYS A 66 -6.831 -3.563 -4.760 1.00 0.00 H new ATOM 0 HA CYS A 66 -4.024 -4.372 -4.910 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.557 -4.941 -6.504 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.991 -5.205 -7.245 1.00 0.00 H new ATOM 912 N CYS A 67 -3.419 -2.937 -7.021 1.00 0.00 N ATOM 913 CA CYS A 67 -3.081 -2.037 -8.125 1.00 0.00 C ATOM 914 C CYS A 67 -2.034 -2.665 -9.054 1.00 0.00 C ATOM 915 O CYS A 67 -1.160 -3.374 -8.547 1.00 0.00 O ATOM 916 CB CYS A 67 -2.507 -0.740 -7.564 1.00 0.00 C ATOM 917 SG CYS A 67 -2.901 0.647 -8.632 1.00 0.00 S ATOM 0 H CYS A 67 -2.663 -3.572 -6.763 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.992 -1.846 -8.693 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.908 -0.562 -6.566 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.426 -0.830 -7.462 1.00 0.00 H new ATOM 922 N PRO A 68 -2.088 -2.453 -10.384 1.00 0.00 N ATOM 923 CA PRO A 68 -1.112 -3.035 -11.295 1.00 0.00 C ATOM 924 C PRO A 68 0.307 -2.505 -11.073 1.00 0.00 C ATOM 925 O PRO A 68 0.538 -1.616 -10.259 1.00 0.00 O ATOM 926 CB PRO A 68 -1.629 -2.791 -12.712 1.00 0.00 C ATOM 927 CG PRO A 68 -2.626 -1.649 -12.570 1.00 0.00 C ATOM 928 CD PRO A 68 -3.128 -1.758 -11.131 1.00 0.00 C ATOM 0 HA PRO A 68 -1.016 -4.105 -11.110 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.817 -2.526 -13.389 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -2.105 -3.683 -13.119 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.153 -0.684 -12.754 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.444 -1.745 -13.284 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -3.315 -0.771 -10.709 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -4.069 -2.306 -11.088 1.00 0.00 H new ATOM 936 N ALA A 69 1.261 -3.123 -11.770 1.00 0.00 N ATOM 937 CA ALA A 69 2.692 -2.905 -11.599 1.00 0.00 C ATOM 938 C ALA A 69 3.171 -1.715 -12.442 1.00 0.00 C ATOM 939 O ALA A 69 2.826 -1.628 -13.618 1.00 0.00 O ATOM 940 CB ALA A 69 3.419 -4.193 -11.990 1.00 0.00 C ATOM 0 H ALA A 69 1.049 -3.811 -12.492 1.00 0.00 H new ATOM 0 HA ALA A 69 2.911 -2.661 -10.559 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.494 -4.055 -11.870 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.084 -5.009 -11.349 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.198 -4.434 -13.030 1.00 0.00 H new ATOM 946 N ASN A 70 4.005 -0.832 -11.878 1.00 0.00 N ATOM 947 CA ASN A 70 4.300 0.493 -12.431 1.00 0.00 C ATOM 948 C ASN A 70 2.986 1.238 -12.599 1.00 0.00 C ATOM 949 O ASN A 70 2.564 1.564 -13.709 1.00 0.00 O ATOM 950 CB ASN A 70 5.159 0.500 -13.708 1.00 0.00 C ATOM 951 CG ASN A 70 6.647 0.399 -13.389 1.00 0.00 C ATOM 952 OD1 ASN A 70 7.358 1.401 -13.324 1.00 0.00 O ATOM 953 ND2 ASN A 70 7.165 -0.804 -13.210 1.00 0.00 N ATOM 0 H ASN A 70 4.502 -1.024 -11.008 1.00 0.00 H new ATOM 0 HA ASN A 70 4.942 1.011 -11.719 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.867 -0.333 -14.347 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.969 1.415 -14.269 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.161 -0.907 -13.016 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.569 -1.630 -13.266 1.00 0.00 H new ATOM 960 N THR A 71 2.344 1.506 -11.467 1.00 0.00 N ATOM 961 CA THR A 71 1.115 2.267 -11.399 1.00 0.00 C ATOM 962 C THR A 71 1.159 3.075 -10.099 1.00 0.00 C ATOM 963 O THR A 71 1.424 2.524 -9.027 1.00 0.00 O ATOM 964 CB THR A 71 -0.087 1.313 -11.483 1.00 0.00 C ATOM 965 OG1 THR A 71 0.121 0.365 -12.516 1.00 0.00 O ATOM 966 CG2 THR A 71 -1.400 2.050 -11.764 1.00 0.00 C ATOM 0 H THR A 71 2.676 1.191 -10.555 1.00 0.00 H new ATOM 0 HA THR A 71 1.008 2.959 -12.234 1.00 0.00 H new ATOM 0 HB THR A 71 -0.168 0.823 -10.513 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.376 0.638 -13.315 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.218 1.331 -11.814 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.594 2.765 -10.965 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.324 2.579 -12.714 1.00 0.00 H new ATOM 974 N CYS A 72 0.960 4.385 -10.203 1.00 0.00 N ATOM 975 CA CYS A 72 0.803 5.305 -9.085 1.00 0.00 C ATOM 976 C CYS A 72 -0.668 5.345 -8.687 1.00 0.00 C ATOM 977 O CYS A 72 -1.519 5.654 -9.516 1.00 0.00 O ATOM 978 CB CYS A 72 1.253 6.700 -9.514 1.00 0.00 C ATOM 979 SG CYS A 72 0.372 8.064 -8.743 1.00 0.00 S ATOM 0 H CYS A 72 0.901 4.853 -11.107 1.00 0.00 H new ATOM 0 HA CYS A 72 1.407 4.975 -8.240 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.315 6.805 -9.293 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.142 6.783 -10.595 1.00 0.00 H new ATOM 984 N CYS A 73 -0.970 4.991 -7.438 1.00 0.00 N ATOM 985 CA CYS A 73 -2.313 4.618 -7.026 1.00 0.00 C ATOM 986 C CYS A 73 -2.685 5.386 -5.768 1.00 0.00 C ATOM 987 O CYS A 73 -2.166 5.095 -4.692 1.00 0.00 O ATOM 988 CB CYS A 73 -2.362 3.105 -6.800 1.00 0.00 C ATOM 989 SG CYS A 73 -1.582 2.160 -8.125 1.00 0.00 S ATOM 0 H CYS A 73 -0.284 4.956 -6.684 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.037 4.872 -7.800 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.870 2.869 -5.857 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.402 2.792 -6.704 1.00 0.00 H new ATOM 994 N ASN A 74 -3.547 6.396 -5.896 1.00 0.00 N ATOM 995 CA ASN A 74 -3.965 7.232 -4.774 1.00 0.00 C ATOM 996 C ASN A 74 -4.817 6.433 -3.791 1.00 0.00 C ATOM 997 O ASN A 74 -5.951 6.086 -4.122 1.00 0.00 O ATOM 998 CB ASN A 74 -4.791 8.425 -5.262 1.00 0.00 C ATOM 999 CG ASN A 74 -5.192 9.302 -4.081 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -6.247 8.938 -3.371 1.00 0.00 O flip ATOM 1001 ND2 ASN A 74 -4.564 10.317 -3.802 1.00 0.00 N flip ATOM 0 H ASN A 74 -3.975 6.656 -6.784 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.060 7.585 -4.280 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.213 9.009 -5.979 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -5.682 8.072 -5.782 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.753 10.584 -4.359 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.853 10.895 -3.012 1.00 0.00 H new ATOM 1008 N ILE A 75 -4.322 6.193 -2.583 1.00 0.00 N ATOM 1009 CA ILE A 75 -5.081 5.610 -1.495 1.00 0.00 C ATOM 1010 C ILE A 75 -6.042 6.671 -0.956 1.00 0.00 C ATOM 1011 O ILE A 75 -5.641 7.612 -0.273 1.00 0.00 O ATOM 1012 CB ILE A 75 -4.108 5.060 -0.432 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -3.678 3.632 -0.782 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -4.711 4.962 0.968 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -2.941 3.556 -2.107 1.00 0.00 C ATOM 0 H ILE A 75 -3.357 6.406 -2.331 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.683 4.764 -1.827 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.281 5.770 -0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.037 3.245 0.010 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -4.558 2.990 -0.822 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.966 4.567 1.658 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.024 5.952 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.574 4.297 0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.659 2.522 -2.308 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.590 3.916 -2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.045 4.175 -2.061 1.00 0.00 H new ATOM 1027 N ASN A 76 -7.329 6.499 -1.242 1.00 0.00 N ATOM 1028 CA ASN A 76 -8.412 7.166 -0.533 1.00 0.00 C ATOM 1029 C ASN A 76 -9.486 6.111 -0.302 1.00 0.00 C ATOM 1030 O ASN A 76 -9.812 5.381 -1.237 1.00 0.00 O ATOM 1031 CB ASN A 76 -8.960 8.359 -1.327 1.00 0.00 C ATOM 1032 CG ASN A 76 -8.449 9.684 -0.765 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -9.278 10.421 -0.039 1.00 0.00 O flip ATOM 1034 ND2 ASN A 76 -7.310 10.077 -0.997 1.00 0.00 N flip ATOM 0 H ASN A 76 -7.652 5.881 -1.986 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.059 7.579 0.412 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -8.666 8.268 -2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.050 8.347 -1.300 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.677 9.505 -1.556 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -6.996 10.976 -0.631 1.00 0.00 H new ATOM 1041 N THR A 77 -9.994 5.944 0.916 1.00 0.00 N ATOM 1042 CA THR A 77 -10.898 4.844 1.246 1.00 0.00 C ATOM 1043 C THR A 77 -12.179 5.387 1.882 1.00 0.00 C ATOM 1044 O THR A 77 -12.410 6.595 1.870 1.00 0.00 O ATOM 1045 CB THR A 77 -10.156 3.809 2.108 1.00 0.00 C ATOM 1046 OG1 THR A 77 -9.904 4.289 3.408 1.00 0.00 O ATOM 1047 CG2 THR A 77 -8.846 3.349 1.459 1.00 0.00 C ATOM 0 H THR A 77 -9.792 6.564 1.700 1.00 0.00 H new ATOM 0 HA THR A 77 -11.215 4.321 0.344 1.00 0.00 H new ATOM 0 HB THR A 77 -10.821 2.948 2.182 1.00 0.00 H new ATOM 0 HG1 THR A 77 -10.113 3.589 4.061 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.357 2.619 2.104 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.059 2.894 0.492 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.188 4.207 1.319 1.00 0.00 H new ATOM 1055 N GLY A 78 -13.022 4.514 2.434 1.00 0.00 N ATOM 1056 CA GLY A 78 -14.174 4.926 3.222 1.00 0.00 C ATOM 1057 C GLY A 78 -13.810 5.090 4.699 1.00 0.00 C ATOM 1058 O GLY A 78 -14.703 5.141 5.544 1.00 0.00 O ATOM 0 H GLY A 78 -12.922 3.503 2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -14.564 5.868 2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -14.969 4.187 3.121 1.00 0.00 H new ATOM 1062 N PHE A 79 -12.522 5.085 5.040 1.00 0.00 N ATOM 1063 CA PHE A 79 -12.015 5.304 6.376 1.00 0.00 C ATOM 1064 C PHE A 79 -10.693 6.022 6.295 1.00 0.00 C ATOM 1065 O PHE A 79 -10.189 6.289 5.203 1.00 0.00 O ATOM 1066 CB PHE A 79 -11.919 3.974 7.134 1.00 0.00 C ATOM 1067 CG PHE A 79 -11.765 2.709 6.309 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -12.910 2.012 5.885 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -10.489 2.163 6.082 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -12.779 0.749 5.289 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -10.357 0.918 5.442 1.00 0.00 C ATOM 1072 CZ PHE A 79 -11.505 0.213 5.044 1.00 0.00 C ATOM 0 H PHE A 79 -11.781 4.921 4.359 1.00 0.00 H new ATOM 0 HA PHE A 79 -12.702 5.936 6.940 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.072 4.036 7.817 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -12.815 3.870 7.746 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.889 2.448 6.018 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.608 2.701 6.400 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -13.661 0.187 5.018 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.376 0.505 5.257 1.00 0.00 H new ATOM 0 HZ PHE A 79 -11.407 -0.742 4.549 1.00 0.00 H new ATOM 1082 N TYR A 80 -10.154 6.387 7.454 1.00 0.00 N ATOM 1083 CA TYR A 80 -8.760 6.741 7.497 1.00 0.00 C ATOM 1084 C TYR A 80 -7.955 5.450 7.391 1.00 0.00 C ATOM 1085 O TYR A 80 -8.416 4.407 7.849 1.00 0.00 O ATOM 1086 CB TYR A 80 -8.416 7.487 8.784 1.00 0.00 C ATOM 1087 CG TYR A 80 -6.984 7.988 8.885 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -6.307 8.529 7.771 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -6.329 7.933 10.127 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -4.976 8.966 7.891 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -5.026 8.434 10.257 1.00 0.00 C ATOM 1092 CZ TYR A 80 -4.327 8.894 9.132 1.00 0.00 C ATOM 1093 OH TYR A 80 -3.028 9.288 9.264 1.00 0.00 O ATOM 0 H TYR A 80 -10.651 6.442 8.343 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.521 7.411 6.672 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.089 8.339 8.881 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.613 6.828 9.630 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.814 8.608 6.821 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.830 7.504 10.982 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.455 9.356 7.029 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -4.558 8.466 11.230 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.743 9.169 10.194 1.00 0.00 H new ATOM 1103 N ILE A 81 -6.776 5.508 6.783 1.00 0.00 N ATOM 1104 CA ILE A 81 -5.868 4.393 6.645 1.00 0.00 C ATOM 1105 C ILE A 81 -4.626 4.709 7.469 1.00 0.00 C ATOM 1106 O ILE A 81 -4.181 5.856 7.498 1.00 0.00 O ATOM 1107 CB ILE A 81 -5.505 4.154 5.179 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -5.418 5.495 4.445 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -6.501 3.174 4.538 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -6.761 5.914 3.852 1.00 0.00 C ATOM 0 H ILE A 81 -6.421 6.366 6.360 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.339 3.478 7.003 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.523 3.686 5.105 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.072 6.264 5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.677 5.424 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.232 3.012 3.494 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.472 2.224 5.072 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.507 3.590 4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.651 6.871 3.341 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.096 5.159 3.140 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.497 6.012 4.650 1.00 0.00 H new ATOM 1122 N ARG A 82 -4.062 3.697 8.114 1.00 0.00 N ATOM 1123 CA ARG A 82 -2.811 3.789 8.839 1.00 0.00 C ATOM 1124 C ARG A 82 -1.965 2.598 8.469 1.00 0.00 C ATOM 1125 O ARG A 82 -0.916 2.791 7.876 1.00 0.00 O ATOM 1126 CB ARG A 82 -3.078 3.836 10.350 1.00 0.00 C ATOM 1127 CG ARG A 82 -3.287 5.269 10.844 1.00 0.00 C ATOM 1128 CD ARG A 82 -4.122 5.356 12.131 1.00 0.00 C ATOM 1129 NE ARG A 82 -3.846 6.620 12.834 1.00 0.00 N ATOM 1130 CZ ARG A 82 -3.957 6.862 14.149 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -4.438 5.937 14.980 1.00 0.00 N ATOM 1132 NH2 ARG A 82 -3.545 8.031 14.635 1.00 0.00 N ATOM 0 H ARG A 82 -4.477 2.766 8.146 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.282 4.704 8.574 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.960 3.239 10.582 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.239 3.387 10.882 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.315 5.730 11.019 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.778 5.847 10.061 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.183 5.290 11.890 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -3.890 4.512 12.781 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.535 7.400 12.255 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.728 5.028 14.619 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -4.515 6.138 15.977 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -3.149 8.733 14.009 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -3.625 8.225 15.633 1.00 0.00 H new ATOM 1146 N SER A 83 -2.344 1.378 8.829 1.00 0.00 N ATOM 1147 CA SER A 83 -1.388 0.298 8.578 1.00 0.00 C ATOM 1148 C SER A 83 -1.635 -0.382 7.250 1.00 0.00 C ATOM 1149 O SER A 83 -2.656 -0.160 6.607 1.00 0.00 O ATOM 1150 CB SER A 83 -1.325 -0.703 9.719 1.00 0.00 C ATOM 1151 OG SER A 83 -1.178 -0.006 10.935 1.00 0.00 O ATOM 0 H SER A 83 -3.231 1.118 9.261 1.00 0.00 H new ATOM 0 HA SER A 83 -0.406 0.768 8.522 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.232 -1.308 9.739 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.489 -1.387 9.574 1.00 0.00 H new ATOM 0 HG SER A 83 -1.991 0.511 11.116 1.00 0.00 H new ATOM 1157 N TYR A 84 -0.732 -1.280 6.887 1.00 0.00 N ATOM 1158 CA TYR A 84 -0.958 -2.235 5.831 1.00 0.00 C ATOM 1159 C TYR A 84 -0.064 -3.439 6.047 1.00 0.00 C ATOM 1160 O TYR A 84 0.853 -3.408 6.871 1.00 0.00 O ATOM 1161 CB TYR A 84 -0.744 -1.607 4.449 1.00 0.00 C ATOM 1162 CG TYR A 84 0.701 -1.415 4.040 1.00 0.00 C ATOM 1163 CD1 TYR A 84 1.485 -0.426 4.659 1.00 0.00 C ATOM 1164 CD2 TYR A 84 1.209 -2.108 2.926 1.00 0.00 C ATOM 1165 CE1 TYR A 84 2.705 -0.039 4.082 1.00 0.00 C ATOM 1166 CE2 TYR A 84 2.415 -1.700 2.341 1.00 0.00 C ATOM 1167 CZ TYR A 84 3.121 -0.614 2.876 1.00 0.00 C ATOM 1168 OH TYR A 84 4.038 0.021 2.099 1.00 0.00 O ATOM 0 H TYR A 84 0.185 -1.361 7.326 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.998 -2.560 5.862 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.235 -2.233 3.704 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.242 -0.638 4.428 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.150 0.035 5.576 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.670 -2.953 2.523 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.322 0.702 4.569 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.800 -2.222 1.478 1.00 0.00 H new ATOM 0 HH TYR A 84 3.819 0.975 2.048 1.00 0.00 H new ATOM 1178 N ARG A 85 -0.348 -4.489 5.289 1.00 0.00 N ATOM 1179 CA ARG A 85 0.540 -5.606 5.075 1.00 0.00 C ATOM 1180 C ARG A 85 0.228 -6.141 3.681 1.00 0.00 C ATOM 1181 O ARG A 85 -0.941 -6.216 3.297 1.00 0.00 O ATOM 1182 CB ARG A 85 0.359 -6.641 6.197 1.00 0.00 C ATOM 1183 CG ARG A 85 1.317 -7.816 6.009 1.00 0.00 C ATOM 1184 CD ARG A 85 0.684 -8.899 5.133 1.00 0.00 C ATOM 1185 NE ARG A 85 0.373 -10.120 5.879 1.00 0.00 N ATOM 1186 CZ ARG A 85 -0.187 -11.200 5.319 1.00 0.00 C ATOM 1187 NH1 ARG A 85 -0.416 -11.214 4.005 1.00 0.00 N ATOM 1188 NH2 ARG A 85 -0.495 -12.224 6.108 1.00 0.00 N ATOM 0 H ARG A 85 -1.234 -4.583 4.793 1.00 0.00 H new ATOM 0 HA ARG A 85 1.593 -5.325 5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.538 -6.171 7.164 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.670 -7.002 6.203 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.242 -7.467 5.551 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.580 -8.235 6.980 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -0.230 -8.509 4.685 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.362 -9.141 4.315 1.00 0.00 H new ATOM 0 HE ARG A 85 0.594 -10.149 6.874 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.165 -10.406 3.435 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -0.842 -12.032 3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.304 -12.172 7.109 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.923 -13.062 5.713 1.00 0.00 H new ATOM 1202 N ARG A 86 1.254 -6.459 2.888 1.00 0.00 N ATOM 1203 CA ARG A 86 1.022 -6.792 1.494 1.00 0.00 C ATOM 1204 C ARG A 86 0.274 -8.125 1.339 1.00 0.00 C ATOM 1205 O ARG A 86 0.225 -8.931 2.273 1.00 0.00 O ATOM 1206 CB ARG A 86 2.352 -6.711 0.736 1.00 0.00 C ATOM 1207 CG ARG A 86 2.833 -7.982 0.040 1.00 0.00 C ATOM 1208 CD ARG A 86 3.012 -9.239 0.923 1.00 0.00 C ATOM 1209 NE ARG A 86 2.374 -10.398 0.269 1.00 0.00 N ATOM 1210 CZ ARG A 86 2.719 -11.695 0.310 1.00 0.00 C ATOM 1211 NH1 ARG A 86 3.768 -12.107 1.013 1.00 0.00 N ATOM 1212 NH2 ARG A 86 2.022 -12.586 -0.388 1.00 0.00 N ATOM 0 H ARG A 86 2.229 -6.491 3.184 1.00 0.00 H new ATOM 0 HA ARG A 86 0.350 -6.064 1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.266 -5.926 -0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.124 -6.397 1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.125 -8.223 -0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.788 -7.766 -0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.072 -9.436 1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.568 -9.073 1.905 1.00 0.00 H new ATOM 0 HE ARG A 86 1.552 -10.183 -0.296 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.329 -11.433 1.535 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.013 -13.097 1.031 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.228 -12.284 -0.952 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.281 -13.572 -0.359 1.00 0.00 H new ATOM 1226 N VAL A 87 -0.241 -8.408 0.145 1.00 0.00 N ATOM 1227 CA VAL A 87 -0.783 -9.719 -0.179 1.00 0.00 C ATOM 1228 C VAL A 87 -0.424 -10.184 -1.589 1.00 0.00 C ATOM 1229 O VAL A 87 -0.144 -11.375 -1.729 1.00 0.00 O ATOM 1230 CB VAL A 87 -2.292 -9.797 0.129 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -2.608 -9.546 1.604 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -3.131 -8.827 -0.710 1.00 0.00 C ATOM 0 H VAL A 87 -0.293 -7.736 -0.620 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.295 -10.437 0.480 1.00 0.00 H new ATOM 0 HB VAL A 87 -2.563 -10.820 -0.133 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.684 -9.613 1.762 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -2.104 -10.294 2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -2.261 -8.552 1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.183 -8.932 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.808 -7.804 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -2.999 -9.054 -1.768 1.00 0.00 H new ATOM 1242 N GLU A 88 -0.304 -9.269 -2.556 1.00 0.00 N ATOM 1243 CA GLU A 88 -0.069 -9.571 -3.971 1.00 0.00 C ATOM 1244 C GLU A 88 -1.403 -9.954 -4.616 1.00 0.00 C ATOM 1245 CB GLU A 88 0.959 -10.690 -4.166 1.00 0.00 C ATOM 1246 CG GLU A 88 1.633 -10.665 -5.540 1.00 0.00 C ATOM 1247 CD GLU A 88 2.445 -11.921 -5.734 1.00 0.00 C ATOM 1248 OE1 GLU A 88 2.890 -12.521 -4.734 1.00 0.00 O ATOM 1249 OE2 GLU A 88 2.520 -12.372 -6.892 1.00 0.00 O ATOM 0 H GLU A 88 -0.370 -8.268 -2.370 1.00 0.00 H new ATOM 0 HA GLU A 88 0.345 -8.683 -4.449 1.00 0.00 H new ATOM 0 HB2 GLU A 88 1.723 -10.609 -3.393 1.00 0.00 H new ATOM 0 HB3 GLU A 88 0.467 -11.653 -4.029 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.879 -10.584 -6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 88 2.276 -9.789 -5.624 1.00 0.00 H new