USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=18 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= 1.17 K(o=1.1,f=-0.66) USER MOD Set 1.2: A 84 TYR OH : rot 30:sc= -0.11 USER MOD Set 2.1: A 74 ASN : amide:sc= 0.569 K(o=1.5,f=-0.35) USER MOD Set 2.2: A 76 ASN : amide:sc= 0.957 K(o=1.5,f=-0.27) USER MOD Set 3.1: A 37 MET CE :methyl -175:sc= 0 (180deg=-0.0398) USER MOD Set 3.2: A 65 MET CE :methyl -165:sc= -0.0649 (180deg=-0.48) USER MOD Single : A 4 TYR OH : rot -79:sc= 0.971 USER MOD Single : A 7 MET CE :methyl -176:sc= -0.0503 (180deg=-0.129) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.06 K(o=-1.1,f=-9.9!) USER MOD Single : A 14 ASN : amide:sc= -0.17 K(o=-0.17,f=-3.4!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0.943 K(o=0.94,f=-7.3!) USER MOD Single : A 25 ASN : amide:sc= 0.155 K(o=0.16,f=-1.1) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0957 X(o=-0.096,f=-0.3) USER MOD Single : A 35 HIS : no HD1:sc= -0.0592 K(o=-0.059,f=-3.3!) USER MOD Single : A 39 THR OG1 : rot 3:sc= 0.0698 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.171 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -108:sc= 1.06 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.898 K(o=-0.9,f=0) USER MOD Single : A 71 THR OG1 : rot 24:sc= 0.978 USER MOD Single : A 77 THR OG1 : rot -40:sc= 1.45 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 121:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 4 8.701 -3.484 -7.179 1.00 0.00 N ATOM 27 CA TYR A 4 8.729 -3.317 -5.736 1.00 0.00 C ATOM 28 C TYR A 4 7.348 -2.824 -5.351 1.00 0.00 C ATOM 29 O TYR A 4 6.514 -2.623 -6.231 1.00 0.00 O ATOM 30 CB TYR A 4 9.769 -2.252 -5.357 1.00 0.00 C ATOM 31 CG TYR A 4 9.736 -1.016 -6.239 1.00 0.00 C ATOM 32 CD1 TYR A 4 8.737 -0.040 -6.060 1.00 0.00 C ATOM 33 CD2 TYR A 4 10.607 -0.924 -7.341 1.00 0.00 C ATOM 34 CE1 TYR A 4 8.607 1.008 -6.982 1.00 0.00 C ATOM 35 CE2 TYR A 4 10.479 0.132 -8.255 1.00 0.00 C ATOM 36 CZ TYR A 4 9.485 1.101 -8.073 1.00 0.00 C ATOM 37 OH TYR A 4 9.408 2.162 -8.922 1.00 0.00 O ATOM 0 HA TYR A 4 8.989 -4.246 -5.229 1.00 0.00 H new ATOM 0 HB2 TYR A 4 9.606 -1.952 -4.322 1.00 0.00 H new ATOM 0 HB3 TYR A 4 10.763 -2.696 -5.407 1.00 0.00 H new ATOM 0 HD1 TYR A 4 8.071 -0.099 -5.212 1.00 0.00 H new ATOM 0 HD2 TYR A 4 11.376 -1.669 -7.483 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.829 1.746 -6.852 1.00 0.00 H new ATOM 0 HE2 TYR A 4 11.148 0.198 -9.100 1.00 0.00 H new ATOM 0 HH TYR A 4 8.668 2.026 -9.550 1.00 0.00 H new ATOM 47 N LEU A 5 7.145 -2.547 -4.070 1.00 0.00 N ATOM 48 CA LEU A 5 5.958 -1.872 -3.574 1.00 0.00 C ATOM 49 C LEU A 5 6.409 -0.904 -2.485 1.00 0.00 C ATOM 50 O LEU A 5 7.231 -1.280 -1.649 1.00 0.00 O ATOM 51 CB LEU A 5 4.949 -2.936 -3.113 1.00 0.00 C ATOM 52 CG LEU A 5 3.522 -2.412 -2.876 1.00 0.00 C ATOM 53 CD1 LEU A 5 2.487 -3.438 -3.365 1.00 0.00 C ATOM 54 CD2 LEU A 5 3.287 -2.167 -1.386 1.00 0.00 C ATOM 0 H LEU A 5 7.812 -2.789 -3.337 1.00 0.00 H new ATOM 0 HA LEU A 5 5.443 -1.283 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.911 -3.728 -3.861 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.314 -3.386 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 5 3.412 -1.479 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.482 -3.053 -3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.627 -3.616 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.617 -4.373 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.273 -1.796 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.418 -3.100 -0.839 1.00 0.00 H new ATOM 0 HD23 LEU A 5 4.002 -1.429 -1.021 1.00 0.00 H new ATOM 66 N ILE A 6 5.956 0.350 -2.546 1.00 0.00 N ATOM 67 CA ILE A 6 6.347 1.412 -1.628 1.00 0.00 C ATOM 68 C ILE A 6 5.178 2.369 -1.433 1.00 0.00 C ATOM 69 O ILE A 6 4.421 2.606 -2.380 1.00 0.00 O ATOM 70 CB ILE A 6 7.563 2.200 -2.153 1.00 0.00 C ATOM 71 CG1 ILE A 6 7.332 2.778 -3.562 1.00 0.00 C ATOM 72 CG2 ILE A 6 8.830 1.350 -2.101 1.00 0.00 C ATOM 73 CD1 ILE A 6 8.586 3.438 -4.136 1.00 0.00 C ATOM 0 H ILE A 6 5.290 0.659 -3.255 1.00 0.00 H new ATOM 0 HA ILE A 6 6.624 0.950 -0.680 1.00 0.00 H new ATOM 0 HB ILE A 6 7.697 3.053 -1.488 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.007 1.980 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.525 3.510 -3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 6 9.673 1.930 -2.477 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.026 1.051 -1.071 1.00 0.00 H new ATOM 0 HG23 ILE A 6 8.697 0.461 -2.718 1.00 0.00 H new ATOM 0 HD11 ILE A 6 8.369 3.829 -5.130 1.00 0.00 H new ATOM 0 HD12 ILE A 6 8.898 4.255 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.387 2.701 -4.203 1.00 0.00 H new ATOM 85 N MET A 7 5.056 2.933 -0.230 1.00 0.00 N ATOM 86 CA MET A 7 4.165 4.048 0.040 1.00 0.00 C ATOM 87 C MET A 7 4.929 5.364 -0.066 1.00 0.00 C ATOM 88 O MET A 7 6.094 5.454 0.338 1.00 0.00 O ATOM 89 CB MET A 7 3.479 3.873 1.399 1.00 0.00 C ATOM 90 CG MET A 7 4.385 4.085 2.621 1.00 0.00 C ATOM 91 SD MET A 7 3.555 3.741 4.188 1.00 0.00 S ATOM 92 CE MET A 7 4.900 3.083 5.190 1.00 0.00 C ATOM 0 H MET A 7 5.580 2.621 0.587 1.00 0.00 H new ATOM 0 HA MET A 7 3.374 4.071 -0.709 1.00 0.00 H new ATOM 0 HB2 MET A 7 2.645 4.572 1.460 1.00 0.00 H new ATOM 0 HB3 MET A 7 3.058 2.869 1.449 1.00 0.00 H new ATOM 0 HG2 MET A 7 5.261 3.442 2.532 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.744 5.114 2.625 1.00 0.00 H new ATOM 0 HE1 MET A 7 4.511 2.764 6.157 1.00 0.00 H new ATOM 0 HE2 MET A 7 5.350 2.231 4.681 1.00 0.00 H new ATOM 0 HE3 MET A 7 5.654 3.856 5.339 1.00 0.00 H new ATOM 102 N CYS A 8 4.274 6.384 -0.614 1.00 0.00 N ATOM 103 CA CYS A 8 4.870 7.663 -0.943 1.00 0.00 C ATOM 104 C CYS A 8 3.945 8.762 -0.467 1.00 0.00 C ATOM 105 O CYS A 8 2.735 8.571 -0.366 1.00 0.00 O ATOM 106 CB CYS A 8 5.036 7.797 -2.454 1.00 0.00 C ATOM 107 SG CYS A 8 6.029 6.541 -3.288 1.00 0.00 S ATOM 0 H CYS A 8 3.282 6.335 -0.846 1.00 0.00 H new ATOM 0 HA CYS A 8 5.846 7.736 -0.464 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.043 7.797 -2.904 1.00 0.00 H new ATOM 0 HB3 CYS A 8 5.480 8.771 -2.660 1.00 0.00 H new ATOM 112 N LYS A 9 4.504 9.925 -0.156 1.00 0.00 N ATOM 113 CA LYS A 9 3.699 11.006 0.382 1.00 0.00 C ATOM 114 C LYS A 9 2.900 11.751 -0.690 1.00 0.00 C ATOM 115 O LYS A 9 1.979 12.501 -0.373 1.00 0.00 O ATOM 116 CB LYS A 9 4.590 11.943 1.172 1.00 0.00 C ATOM 117 CG LYS A 9 5.554 11.166 2.087 1.00 0.00 C ATOM 118 CD LYS A 9 5.746 11.857 3.434 1.00 0.00 C ATOM 119 CE LYS A 9 7.097 11.444 4.043 1.00 0.00 C ATOM 120 NZ LYS A 9 7.425 12.189 5.270 1.00 0.00 N ATOM 0 H LYS A 9 5.495 10.139 -0.266 1.00 0.00 H new ATOM 0 HA LYS A 9 2.951 10.572 1.045 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.162 12.568 0.486 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.974 12.611 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.169 10.159 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.519 11.063 1.592 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.710 12.939 3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.934 11.588 4.110 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.078 10.377 4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.885 11.602 3.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.345 11.869 5.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.472 13.206 5.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.690 12.019 5.986 1.00 0.00 H new ATOM 134 N ASN A 10 3.265 11.585 -1.955 1.00 0.00 N ATOM 135 CA ASN A 10 2.492 12.042 -3.110 1.00 0.00 C ATOM 136 C ASN A 10 2.628 11.027 -4.243 1.00 0.00 C ATOM 137 O ASN A 10 3.133 9.927 -4.024 1.00 0.00 O ATOM 138 CB ASN A 10 2.873 13.472 -3.538 1.00 0.00 C ATOM 139 CG ASN A 10 4.133 13.554 -4.394 1.00 0.00 C ATOM 140 OD1 ASN A 10 4.874 12.590 -4.502 1.00 0.00 O ATOM 141 ND2 ASN A 10 4.397 14.686 -5.028 1.00 0.00 N ATOM 0 H ASN A 10 4.132 11.115 -2.217 1.00 0.00 H new ATOM 0 HA ASN A 10 1.440 12.101 -2.830 1.00 0.00 H new ATOM 0 HB2 ASN A 10 2.042 13.907 -4.093 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.014 14.081 -2.645 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.228 14.760 -5.615 1.00 0.00 H new ATOM 0 HD22 ASN A 10 3.770 15.484 -4.929 1.00 0.00 H new ATOM 148 N CYS A 11 2.197 11.395 -5.447 1.00 0.00 N ATOM 149 CA CYS A 11 2.161 10.501 -6.603 1.00 0.00 C ATOM 150 C CYS A 11 3.451 10.538 -7.424 1.00 0.00 C ATOM 151 O CYS A 11 3.547 9.913 -8.480 1.00 0.00 O ATOM 152 CB CYS A 11 0.985 10.931 -7.475 1.00 0.00 C ATOM 153 SG CYS A 11 0.551 9.889 -8.882 1.00 0.00 S ATOM 0 H CYS A 11 1.858 12.335 -5.651 1.00 0.00 H new ATOM 0 HA CYS A 11 2.052 9.476 -6.248 1.00 0.00 H new ATOM 0 HB2 CYS A 11 0.106 11.012 -6.835 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.197 11.931 -7.853 1.00 0.00 H new ATOM 158 N ASP A 12 4.455 11.284 -6.969 1.00 0.00 N ATOM 159 CA ASP A 12 5.738 11.425 -7.647 1.00 0.00 C ATOM 160 C ASP A 12 6.796 10.606 -6.904 1.00 0.00 C ATOM 161 O ASP A 12 7.240 11.024 -5.834 1.00 0.00 O ATOM 162 CB ASP A 12 6.153 12.902 -7.705 1.00 0.00 C ATOM 163 CG ASP A 12 7.404 13.086 -8.537 1.00 0.00 C ATOM 164 OD1 ASP A 12 8.073 12.085 -8.858 1.00 0.00 O ATOM 165 OD2 ASP A 12 7.654 14.235 -8.952 1.00 0.00 O ATOM 0 H ASP A 12 4.397 11.817 -6.101 1.00 0.00 H new ATOM 0 HA ASP A 12 5.647 11.056 -8.668 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.341 13.494 -8.128 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.327 13.274 -6.695 1.00 0.00 H new ATOM 170 N PRO A 13 7.253 9.463 -7.434 1.00 0.00 N ATOM 171 CA PRO A 13 8.284 8.702 -6.758 1.00 0.00 C ATOM 172 C PRO A 13 9.589 9.492 -6.633 1.00 0.00 C ATOM 173 O PRO A 13 10.403 9.196 -5.759 1.00 0.00 O ATOM 174 CB PRO A 13 8.469 7.412 -7.559 1.00 0.00 C ATOM 175 CG PRO A 13 7.963 7.779 -8.956 1.00 0.00 C ATOM 176 CD PRO A 13 6.923 8.879 -8.723 1.00 0.00 C ATOM 0 HA PRO A 13 7.988 8.479 -5.733 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.513 7.100 -7.580 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.899 6.588 -7.130 1.00 0.00 H new ATOM 0 HG2 PRO A 13 8.776 8.132 -9.590 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.521 6.917 -9.455 1.00 0.00 H new ATOM 0 HD2 PRO A 13 6.961 9.628 -9.514 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.913 8.469 -8.720 1.00 0.00 H new ATOM 184 N ASN A 14 9.814 10.475 -7.506 1.00 0.00 N ATOM 185 CA ASN A 14 11.058 11.219 -7.541 1.00 0.00 C ATOM 186 C ASN A 14 11.162 12.131 -6.331 1.00 0.00 C ATOM 187 O ASN A 14 12.037 11.937 -5.489 1.00 0.00 O ATOM 188 CB ASN A 14 11.199 11.986 -8.854 1.00 0.00 C ATOM 189 CG ASN A 14 12.628 12.469 -9.053 1.00 0.00 C ATOM 190 OD1 ASN A 14 12.949 13.638 -8.861 1.00 0.00 O ATOM 191 ND2 ASN A 14 13.529 11.585 -9.464 1.00 0.00 N ATOM 0 H ASN A 14 9.134 10.772 -8.206 1.00 0.00 H new ATOM 0 HA ASN A 14 11.890 10.516 -7.495 1.00 0.00 H new ATOM 0 HB2 ASN A 14 10.909 11.345 -9.687 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.520 12.838 -8.856 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.494 11.876 -9.622 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.257 10.615 -9.622 1.00 0.00 H new ATOM 198 N THR A 15 10.264 13.106 -6.218 1.00 0.00 N ATOM 199 CA THR A 15 10.339 14.113 -5.162 1.00 0.00 C ATOM 200 C THR A 15 9.241 13.972 -4.113 1.00 0.00 C ATOM 201 O THR A 15 9.119 14.821 -3.229 1.00 0.00 O ATOM 202 CB THR A 15 10.267 15.499 -5.816 1.00 0.00 C ATOM 203 OG1 THR A 15 9.065 15.597 -6.546 1.00 0.00 O ATOM 204 CG2 THR A 15 11.408 15.731 -6.807 1.00 0.00 C ATOM 0 H THR A 15 9.471 13.221 -6.849 1.00 0.00 H new ATOM 0 HA THR A 15 11.281 13.973 -4.631 1.00 0.00 H new ATOM 0 HB THR A 15 10.331 16.237 -5.016 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.009 16.480 -6.967 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.314 16.725 -7.244 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.363 15.652 -6.287 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.362 14.982 -7.597 1.00 0.00 H new ATOM 212 N GLY A 16 8.536 12.851 -4.104 1.00 0.00 N ATOM 213 CA GLY A 16 7.445 12.640 -3.168 1.00 0.00 C ATOM 214 C GLY A 16 7.957 12.350 -1.772 1.00 0.00 C ATOM 215 O GLY A 16 7.296 12.660 -0.781 1.00 0.00 O ATOM 0 H GLY A 16 8.702 12.070 -4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.807 13.524 -3.146 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.827 11.810 -3.510 1.00 0.00 H new ATOM 219 N SER A 17 9.134 11.726 -1.710 1.00 0.00 N ATOM 220 CA SER A 17 9.595 10.981 -0.560 1.00 0.00 C ATOM 221 C SER A 17 8.745 9.711 -0.459 1.00 0.00 C ATOM 222 O SER A 17 7.535 9.765 -0.226 1.00 0.00 O ATOM 223 CB SER A 17 9.595 11.825 0.721 1.00 0.00 C ATOM 224 OG SER A 17 9.995 13.162 0.448 1.00 0.00 O ATOM 0 H SER A 17 9.802 11.731 -2.481 1.00 0.00 H new ATOM 0 HA SER A 17 10.640 10.698 -0.686 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.599 11.822 1.163 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.270 11.382 1.453 1.00 0.00 H new ATOM 0 HG SER A 17 9.986 13.682 1.279 1.00 0.00 H new ATOM 230 N CYS A 18 9.374 8.569 -0.722 1.00 0.00 N ATOM 231 CA CYS A 18 8.785 7.256 -0.639 1.00 0.00 C ATOM 232 C CYS A 18 9.631 6.472 0.335 1.00 0.00 C ATOM 233 O CYS A 18 10.843 6.703 0.391 1.00 0.00 O ATOM 234 CB CYS A 18 8.883 6.590 -1.996 1.00 0.00 C ATOM 235 SG CYS A 18 7.968 7.310 -3.367 1.00 0.00 S ATOM 0 H CYS A 18 10.352 8.544 -1.011 1.00 0.00 H new ATOM 0 HA CYS A 18 7.741 7.305 -0.328 1.00 0.00 H new ATOM 0 HB2 CYS A 18 9.936 6.562 -2.277 1.00 0.00 H new ATOM 0 HB3 CYS A 18 8.555 5.557 -1.884 1.00 0.00 H new ATOM 240 N ASP A 19 9.048 5.567 1.118 1.00 0.00 N ATOM 241 CA ASP A 19 9.822 4.628 1.897 1.00 0.00 C ATOM 242 C ASP A 19 9.953 3.296 1.166 1.00 0.00 C ATOM 243 O ASP A 19 9.023 2.500 1.069 1.00 0.00 O ATOM 244 CB ASP A 19 9.350 4.570 3.342 1.00 0.00 C ATOM 245 CG ASP A 19 7.902 4.263 3.607 1.00 0.00 C ATOM 246 OD1 ASP A 19 7.566 3.068 3.694 1.00 0.00 O ATOM 247 OD2 ASP A 19 7.177 5.243 3.887 1.00 0.00 O ATOM 0 H ASP A 19 8.038 5.471 1.224 1.00 0.00 H new ATOM 0 HA ASP A 19 10.849 4.982 1.990 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.949 3.819 3.857 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.576 5.531 3.805 1.00 0.00 H new ATOM 252 N TRP A 20 11.164 3.051 0.674 1.00 0.00 N ATOM 253 CA TRP A 20 11.627 1.844 0.026 1.00 0.00 C ATOM 254 C TRP A 20 12.041 0.873 1.122 1.00 0.00 C ATOM 255 O TRP A 20 13.136 0.311 1.080 1.00 0.00 O ATOM 256 CB TRP A 20 12.780 2.220 -0.912 1.00 0.00 C ATOM 257 CG TRP A 20 12.429 3.231 -1.967 1.00 0.00 C ATOM 258 CD1 TRP A 20 12.327 4.569 -1.796 1.00 0.00 C ATOM 259 CD2 TRP A 20 12.105 2.994 -3.367 1.00 0.00 C ATOM 260 NE1 TRP A 20 12.004 5.168 -2.994 1.00 0.00 N ATOM 261 CE2 TRP A 20 11.846 4.246 -4.002 1.00 0.00 C ATOM 262 CE3 TRP A 20 12.001 1.837 -4.157 1.00 0.00 C ATOM 263 CZ2 TRP A 20 11.503 4.345 -5.358 1.00 0.00 C ATOM 264 CZ3 TRP A 20 11.777 1.934 -5.541 1.00 0.00 C ATOM 265 CH2 TRP A 20 11.496 3.177 -6.137 1.00 0.00 C ATOM 0 H TRP A 20 11.901 3.754 0.726 1.00 0.00 H new ATOM 0 HA TRP A 20 10.860 1.363 -0.581 1.00 0.00 H new ATOM 0 HB2 TRP A 20 13.604 2.610 -0.314 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.142 1.316 -1.401 1.00 0.00 H new ATOM 0 HD1 TRP A 20 12.476 5.089 -0.861 1.00 0.00 H new ATOM 0 HE1 TRP A 20 11.895 6.175 -3.118 1.00 0.00 H new ATOM 0 HE3 TRP A 20 12.094 0.864 -3.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 11.249 5.300 -5.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 11.821 1.045 -6.153 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.275 3.233 -7.193 1.00 0.00 H new ATOM 276 N LYS A 21 11.173 0.704 2.119 1.00 0.00 N ATOM 277 CA LYS A 21 11.356 -0.260 3.186 1.00 0.00 C ATOM 278 C LYS A 21 10.659 -1.552 2.798 1.00 0.00 C ATOM 279 O LYS A 21 9.706 -1.538 2.013 1.00 0.00 O ATOM 280 CB LYS A 21 10.854 0.283 4.527 1.00 0.00 C ATOM 281 CG LYS A 21 12.057 0.687 5.385 1.00 0.00 C ATOM 282 CD LYS A 21 12.835 1.828 4.724 1.00 0.00 C ATOM 283 CE LYS A 21 14.162 2.092 5.441 1.00 0.00 C ATOM 284 NZ LYS A 21 15.235 1.201 4.959 1.00 0.00 N ATOM 0 H LYS A 21 10.312 1.245 2.203 1.00 0.00 H new ATOM 0 HA LYS A 21 12.420 -0.457 3.321 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.202 1.141 4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.262 -0.474 5.042 1.00 0.00 H new ATOM 0 HG2 LYS A 21 11.717 0.997 6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 21 12.713 -0.172 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.027 1.581 3.680 1.00 0.00 H new ATOM 0 HD3 LYS A 21 12.230 2.734 4.731 1.00 0.00 H new ATOM 0 HE2 LYS A 21 14.457 3.130 5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.029 1.953 6.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 16.116 1.412 5.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.966 0.211 5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.380 1.352 3.940 1.00 0.00 H new ATOM 298 N GLN A 22 11.133 -2.670 3.340 1.00 0.00 N ATOM 299 CA GLN A 22 10.446 -3.924 3.129 1.00 0.00 C ATOM 300 C GLN A 22 9.099 -3.802 3.853 1.00 0.00 C ATOM 301 O GLN A 22 8.978 -3.137 4.883 1.00 0.00 O ATOM 302 CB GLN A 22 11.349 -5.047 3.651 1.00 0.00 C ATOM 303 CG GLN A 22 11.056 -6.451 3.107 1.00 0.00 C ATOM 304 CD GLN A 22 10.230 -7.273 4.084 1.00 0.00 C ATOM 305 OE1 GLN A 22 9.090 -6.927 4.368 1.00 0.00 O ATOM 306 NE2 GLN A 22 10.783 -8.336 4.639 1.00 0.00 N ATOM 0 H GLN A 22 11.973 -2.727 3.916 1.00 0.00 H new ATOM 0 HA GLN A 22 10.243 -4.158 2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.383 -4.795 3.414 1.00 0.00 H new ATOM 0 HB3 GLN A 22 11.269 -5.076 4.738 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.524 -6.370 2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 22 11.995 -6.965 2.902 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.734 -8.606 4.388 1.00 0.00 H new ATOM 0 HE22 GLN A 22 10.259 -8.887 5.319 1.00 0.00 H new ATOM 315 N ASN A 23 8.074 -4.378 3.242 1.00 0.00 N ATOM 316 CA ASN A 23 6.679 -4.234 3.656 1.00 0.00 C ATOM 317 C ASN A 23 5.862 -5.496 3.389 1.00 0.00 C ATOM 318 O ASN A 23 4.636 -5.458 3.286 1.00 0.00 O ATOM 319 CB ASN A 23 6.065 -3.000 2.987 1.00 0.00 C ATOM 320 CG ASN A 23 6.184 -3.054 1.469 1.00 0.00 C ATOM 321 OD1 ASN A 23 5.390 -3.692 0.784 1.00 0.00 O ATOM 322 ND2 ASN A 23 7.215 -2.432 0.913 1.00 0.00 N ATOM 0 H ASN A 23 8.189 -4.975 2.423 1.00 0.00 H new ATOM 0 HA ASN A 23 6.657 -4.090 4.736 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.014 -2.922 3.266 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.560 -2.103 3.358 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.356 -2.480 -0.096 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.867 -1.905 1.494 1.00 0.00 H new ATOM 329 N TRP A 24 6.542 -6.624 3.222 1.00 0.00 N ATOM 330 CA TRP A 24 5.995 -7.835 2.703 1.00 0.00 C ATOM 331 C TRP A 24 5.581 -8.689 3.895 1.00 0.00 C ATOM 332 O TRP A 24 6.378 -8.896 4.806 1.00 0.00 O ATOM 333 CB TRP A 24 7.099 -8.458 1.851 1.00 0.00 C ATOM 334 CG TRP A 24 6.913 -9.906 1.640 1.00 0.00 C ATOM 335 CD1 TRP A 24 7.406 -10.851 2.459 1.00 0.00 C ATOM 336 CD2 TRP A 24 6.003 -10.572 0.733 1.00 0.00 C ATOM 337 NE1 TRP A 24 6.891 -12.079 2.089 1.00 0.00 N ATOM 338 CE2 TRP A 24 5.999 -11.961 1.037 1.00 0.00 C ATOM 339 CE3 TRP A 24 5.131 -10.119 -0.271 1.00 0.00 C ATOM 340 CZ2 TRP A 24 5.179 -12.866 0.349 1.00 0.00 C ATOM 341 CZ3 TRP A 24 4.308 -11.013 -0.965 1.00 0.00 C ATOM 342 CH2 TRP A 24 4.352 -12.388 -0.684 1.00 0.00 C ATOM 0 H TRP A 24 7.531 -6.705 3.460 1.00 0.00 H new ATOM 0 HA TRP A 24 5.110 -7.708 2.079 1.00 0.00 H new ATOM 0 HB2 TRP A 24 7.132 -7.956 0.884 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.062 -8.287 2.332 1.00 0.00 H new ATOM 0 HD1 TRP A 24 8.093 -10.679 3.274 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.137 -12.962 2.536 1.00 0.00 H new ATOM 0 HE3 TRP A 24 5.095 -9.066 -0.510 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.182 -13.914 0.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.634 -10.642 -1.723 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.752 -13.077 -1.260 1.00 0.00 H new ATOM 353 N ASN A 25 4.343 -9.187 3.887 1.00 0.00 N ATOM 354 CA ASN A 25 3.862 -10.148 4.878 1.00 0.00 C ATOM 355 C ASN A 25 4.102 -9.612 6.289 1.00 0.00 C ATOM 356 O ASN A 25 4.594 -10.321 7.163 1.00 0.00 O ATOM 357 CB ASN A 25 4.543 -11.509 4.647 1.00 0.00 C ATOM 358 CG ASN A 25 3.838 -12.685 5.326 1.00 0.00 C ATOM 359 OD1 ASN A 25 3.127 -13.438 4.670 1.00 0.00 O ATOM 360 ND2 ASN A 25 4.032 -12.895 6.620 1.00 0.00 N ATOM 0 H ASN A 25 3.644 -8.933 3.189 1.00 0.00 H new ATOM 0 HA ASN A 25 2.787 -10.291 4.768 1.00 0.00 H new ATOM 0 HB2 ASN A 25 4.594 -11.700 3.575 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.569 -11.456 5.011 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.588 -13.690 7.080 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.626 -12.262 7.156 1.00 0.00 H new ATOM 367 N THR A 26 3.809 -8.334 6.522 1.00 0.00 N ATOM 368 CA THR A 26 4.188 -7.685 7.765 1.00 0.00 C ATOM 369 C THR A 26 3.342 -6.439 8.000 1.00 0.00 C ATOM 370 O THR A 26 2.660 -5.961 7.099 1.00 0.00 O ATOM 371 CB THR A 26 5.703 -7.406 7.768 1.00 0.00 C ATOM 372 OG1 THR A 26 6.182 -7.258 9.090 1.00 0.00 O ATOM 373 CG2 THR A 26 6.082 -6.182 6.936 1.00 0.00 C ATOM 0 H THR A 26 3.311 -7.733 5.865 1.00 0.00 H new ATOM 0 HA THR A 26 3.987 -8.348 8.606 1.00 0.00 H new ATOM 0 HB THR A 26 6.177 -8.271 7.304 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.146 -7.083 9.071 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.161 -6.035 6.976 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.774 -6.336 5.902 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.581 -5.301 7.336 1.00 0.00 H new ATOM 381 N CYS A 27 3.362 -5.965 9.241 1.00 0.00 N ATOM 382 CA CYS A 27 2.464 -4.982 9.813 1.00 0.00 C ATOM 383 C CYS A 27 3.057 -3.582 9.666 1.00 0.00 C ATOM 384 O CYS A 27 3.913 -3.215 10.475 1.00 0.00 O ATOM 385 CB CYS A 27 2.308 -5.334 11.295 1.00 0.00 C ATOM 386 SG CYS A 27 1.215 -4.252 12.226 1.00 0.00 S ATOM 0 H CYS A 27 4.057 -6.283 9.917 1.00 0.00 H new ATOM 0 HA CYS A 27 1.499 -4.991 9.305 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.935 -6.355 11.372 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.293 -5.318 11.762 1.00 0.00 H new ATOM 391 N VAL A 28 2.688 -2.820 8.635 1.00 0.00 N ATOM 392 CA VAL A 28 3.322 -1.542 8.317 1.00 0.00 C ATOM 393 C VAL A 28 2.361 -0.378 8.554 1.00 0.00 C ATOM 394 O VAL A 28 1.484 -0.112 7.735 1.00 0.00 O ATOM 395 CB VAL A 28 3.812 -1.543 6.860 1.00 0.00 C ATOM 396 CG1 VAL A 28 4.541 -0.234 6.533 1.00 0.00 C ATOM 397 CG2 VAL A 28 4.746 -2.727 6.594 1.00 0.00 C ATOM 0 H VAL A 28 1.936 -3.075 7.994 1.00 0.00 H new ATOM 0 HA VAL A 28 4.178 -1.412 8.979 1.00 0.00 H new ATOM 0 HB VAL A 28 2.936 -1.636 6.219 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.880 -0.255 5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.862 0.606 6.676 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.401 -0.121 7.194 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.077 -2.703 5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.612 -2.663 7.253 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.214 -3.660 6.784 1.00 0.00 H new ATOM 407 N GLY A 29 2.550 0.357 9.643 1.00 0.00 N ATOM 408 CA GLY A 29 1.887 1.630 9.848 1.00 0.00 C ATOM 409 C GLY A 29 2.328 2.632 8.782 1.00 0.00 C ATOM 410 O GLY A 29 3.519 2.858 8.574 1.00 0.00 O ATOM 0 H GLY A 29 3.168 0.083 10.407 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.806 1.496 9.807 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.123 2.016 10.840 1.00 0.00 H new ATOM 414 N ILE A 30 1.350 3.236 8.123 1.00 0.00 N ATOM 415 CA ILE A 30 1.456 4.402 7.264 1.00 0.00 C ATOM 416 C ILE A 30 1.398 5.619 8.194 1.00 0.00 C ATOM 417 O ILE A 30 0.844 5.529 9.289 1.00 0.00 O ATOM 418 CB ILE A 30 0.259 4.408 6.282 1.00 0.00 C ATOM 419 CG1 ILE A 30 0.149 3.115 5.451 1.00 0.00 C ATOM 420 CG2 ILE A 30 0.341 5.603 5.334 1.00 0.00 C ATOM 421 CD1 ILE A 30 -1.217 2.963 4.772 1.00 0.00 C ATOM 0 H ILE A 30 0.390 2.896 8.181 1.00 0.00 H new ATOM 0 HA ILE A 30 2.375 4.407 6.678 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.634 4.480 6.903 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.931 3.109 4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.326 2.256 6.098 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.510 5.587 4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.326 6.527 5.912 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.266 5.549 4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.238 2.035 4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.000 2.940 5.530 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.386 3.806 4.102 1.00 0.00 H new ATOM 433 N GLY A 31 1.923 6.767 7.777 1.00 0.00 N ATOM 434 CA GLY A 31 1.734 8.000 8.516 1.00 0.00 C ATOM 435 C GLY A 31 2.078 9.194 7.636 1.00 0.00 C ATOM 436 O GLY A 31 2.239 9.065 6.427 1.00 0.00 O ATOM 0 H GLY A 31 2.482 6.864 6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.701 8.075 8.856 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.364 8.000 9.406 1.00 0.00 H new ATOM 440 N ALA A 32 2.224 10.361 8.248 1.00 0.00 N ATOM 441 CA ALA A 32 2.529 11.640 7.627 1.00 0.00 C ATOM 442 C ALA A 32 1.971 11.914 6.249 1.00 0.00 C ATOM 443 O ALA A 32 2.716 11.918 5.274 1.00 0.00 O ATOM 444 CB ALA A 32 4.004 12.022 7.739 1.00 0.00 C ATOM 0 H ALA A 32 2.126 10.443 9.260 1.00 0.00 H new ATOM 0 HA ALA A 32 1.944 12.318 8.249 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.168 12.986 7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 32 4.283 12.090 8.790 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.615 11.263 7.250 1.00 0.00 H new ATOM 450 N ASN A 33 0.668 12.201 6.197 1.00 0.00 N ATOM 451 CA ASN A 33 -0.068 12.540 4.985 1.00 0.00 C ATOM 452 C ASN A 33 0.225 11.574 3.841 1.00 0.00 C ATOM 453 O ASN A 33 0.000 11.908 2.680 1.00 0.00 O ATOM 454 CB ASN A 33 0.123 14.015 4.590 1.00 0.00 C ATOM 455 CG ASN A 33 1.523 14.359 4.083 1.00 0.00 C ATOM 456 OD1 ASN A 33 2.319 14.962 4.806 1.00 0.00 O ATOM 457 ND2 ASN A 33 1.847 14.021 2.845 1.00 0.00 N ATOM 0 H ASN A 33 0.079 12.203 7.030 1.00 0.00 H new ATOM 0 HA ASN A 33 -1.128 12.420 5.211 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.602 14.268 3.816 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.101 14.641 5.454 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.767 14.259 2.476 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.176 13.522 2.260 1.00 0.00 H new ATOM 464 N VAL A 34 0.683 10.362 4.160 1.00 0.00 N ATOM 465 CA VAL A 34 0.836 9.354 3.112 1.00 0.00 C ATOM 466 C VAL A 34 -0.545 8.845 2.708 1.00 0.00 C ATOM 467 O VAL A 34 -1.254 8.242 3.516 1.00 0.00 O ATOM 468 CB VAL A 34 1.751 8.204 3.547 1.00 0.00 C ATOM 469 CG1 VAL A 34 1.685 7.006 2.589 1.00 0.00 C ATOM 470 CG2 VAL A 34 3.207 8.669 3.592 1.00 0.00 C ATOM 0 H VAL A 34 0.946 10.062 5.099 1.00 0.00 H new ATOM 0 HA VAL A 34 1.319 9.816 2.251 1.00 0.00 H new ATOM 0 HB VAL A 34 1.401 7.896 4.532 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.352 6.220 2.943 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.664 6.626 2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.992 7.320 1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.844 7.841 3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.511 9.009 2.602 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.305 9.489 4.303 1.00 0.00 H new ATOM 480 N HIS A 35 -0.903 9.058 1.442 1.00 0.00 N ATOM 481 CA HIS A 35 -2.090 8.487 0.833 1.00 0.00 C ATOM 482 C HIS A 35 -1.839 8.134 -0.628 1.00 0.00 C ATOM 483 O HIS A 35 -2.726 8.263 -1.475 1.00 0.00 O ATOM 484 CB HIS A 35 -3.297 9.408 1.041 1.00 0.00 C ATOM 485 CG HIS A 35 -3.336 10.725 0.304 1.00 0.00 C ATOM 486 ND1 HIS A 35 -4.438 11.205 -0.368 1.00 0.00 N ATOM 487 CD2 HIS A 35 -2.354 11.674 0.207 1.00 0.00 C ATOM 488 CE1 HIS A 35 -4.114 12.398 -0.894 1.00 0.00 C ATOM 489 NE2 HIS A 35 -2.847 12.718 -0.585 1.00 0.00 N ATOM 0 H HIS A 35 -0.363 9.643 0.805 1.00 0.00 H new ATOM 0 HA HIS A 35 -2.330 7.547 1.330 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -4.191 8.849 0.767 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.370 9.623 2.107 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.375 11.626 0.660 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.779 13.013 -1.482 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -2.343 13.557 -0.871 1.00 0.00 H new ATOM 497 N TRP A 36 -0.632 7.649 -0.915 1.00 0.00 N ATOM 498 CA TRP A 36 -0.245 7.210 -2.239 1.00 0.00 C ATOM 499 C TRP A 36 0.653 5.985 -2.105 1.00 0.00 C ATOM 500 O TRP A 36 1.544 5.961 -1.258 1.00 0.00 O ATOM 501 CB TRP A 36 0.448 8.358 -2.973 1.00 0.00 C ATOM 502 CG TRP A 36 -0.443 9.535 -3.220 1.00 0.00 C ATOM 503 CD1 TRP A 36 -0.738 10.508 -2.330 1.00 0.00 C ATOM 504 CD2 TRP A 36 -1.295 9.785 -4.370 1.00 0.00 C ATOM 505 NE1 TRP A 36 -1.667 11.367 -2.873 1.00 0.00 N ATOM 506 CE2 TRP A 36 -2.066 10.957 -4.127 1.00 0.00 C ATOM 507 CE3 TRP A 36 -1.530 9.097 -5.574 1.00 0.00 C ATOM 508 CZ2 TRP A 36 -3.014 11.431 -5.044 1.00 0.00 C ATOM 509 CZ3 TRP A 36 -2.436 9.594 -6.529 1.00 0.00 C ATOM 510 CH2 TRP A 36 -3.187 10.752 -6.261 1.00 0.00 C ATOM 0 H TRP A 36 0.108 7.552 -0.220 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.118 6.927 -2.827 1.00 0.00 H new ATOM 0 HB2 TRP A 36 1.311 8.682 -2.391 1.00 0.00 H new ATOM 0 HB3 TRP A 36 0.826 7.992 -3.928 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -0.310 10.598 -1.343 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -2.017 12.203 -2.405 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.007 8.173 -5.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.604 12.307 -4.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.555 9.083 -7.473 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.895 11.118 -6.989 1.00 0.00 H new ATOM 521 N MET A 37 0.394 4.958 -2.907 1.00 0.00 N ATOM 522 CA MET A 37 1.300 3.843 -3.131 1.00 0.00 C ATOM 523 C MET A 37 1.738 3.936 -4.585 1.00 0.00 C ATOM 524 O MET A 37 0.883 4.034 -5.460 1.00 0.00 O ATOM 525 CB MET A 37 0.573 2.527 -2.850 1.00 0.00 C ATOM 526 CG MET A 37 1.479 1.297 -2.913 1.00 0.00 C ATOM 527 SD MET A 37 0.574 -0.270 -2.953 1.00 0.00 S ATOM 528 CE MET A 37 -0.179 -0.261 -1.312 1.00 0.00 C ATOM 0 H MET A 37 -0.477 4.878 -3.433 1.00 0.00 H new ATOM 0 HA MET A 37 2.166 3.878 -2.470 1.00 0.00 H new ATOM 0 HB2 MET A 37 0.115 2.579 -1.862 1.00 0.00 H new ATOM 0 HB3 MET A 37 -0.236 2.408 -3.571 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.109 1.366 -3.800 1.00 0.00 H new ATOM 0 HG3 MET A 37 2.143 1.301 -2.049 1.00 0.00 H new ATOM 0 HE1 MET A 37 -0.700 -1.204 -1.145 1.00 0.00 H new ATOM 0 HE2 MET A 37 0.597 -0.136 -0.556 1.00 0.00 H new ATOM 0 HE3 MET A 37 -0.889 0.563 -1.242 1.00 0.00 H new ATOM 538 N VAL A 38 3.040 3.929 -4.852 1.00 0.00 N ATOM 539 CA VAL A 38 3.547 4.078 -6.216 1.00 0.00 C ATOM 540 C VAL A 38 4.427 2.873 -6.526 1.00 0.00 C ATOM 541 O VAL A 38 5.616 2.872 -6.205 1.00 0.00 O ATOM 542 CB VAL A 38 4.266 5.424 -6.386 1.00 0.00 C ATOM 543 CG1 VAL A 38 4.511 5.658 -7.878 1.00 0.00 C ATOM 544 CG2 VAL A 38 3.428 6.596 -5.851 1.00 0.00 C ATOM 0 H VAL A 38 3.765 3.822 -4.143 1.00 0.00 H new ATOM 0 HA VAL A 38 2.731 4.097 -6.938 1.00 0.00 H new ATOM 0 HB VAL A 38 5.198 5.382 -5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.022 6.611 -8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.129 4.853 -8.276 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.557 5.677 -8.405 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.975 7.528 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.483 6.644 -6.392 1.00 0.00 H new ATOM 0 HG23 VAL A 38 3.231 6.448 -4.789 1.00 0.00 H new ATOM 554 N THR A 39 3.829 1.823 -7.085 1.00 0.00 N ATOM 555 CA THR A 39 4.389 0.485 -7.031 1.00 0.00 C ATOM 556 C THR A 39 4.924 0.047 -8.394 1.00 0.00 C ATOM 557 O THR A 39 4.490 0.530 -9.446 1.00 0.00 O ATOM 558 CB THR A 39 3.334 -0.455 -6.423 1.00 0.00 C ATOM 559 OG1 THR A 39 3.889 -1.686 -6.041 1.00 0.00 O ATOM 560 CG2 THR A 39 2.189 -0.762 -7.367 1.00 0.00 C ATOM 0 H THR A 39 2.943 1.881 -7.587 1.00 0.00 H new ATOM 0 HA THR A 39 5.265 0.456 -6.383 1.00 0.00 H new ATOM 0 HB THR A 39 2.956 0.089 -5.557 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.855 -1.674 -6.205 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.481 -1.430 -6.876 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.684 0.165 -7.640 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.577 -1.242 -8.265 1.00 0.00 H new ATOM 568 N GLY A 40 5.874 -0.886 -8.354 1.00 0.00 N ATOM 569 CA GLY A 40 6.609 -1.399 -9.494 1.00 0.00 C ATOM 570 C GLY A 40 7.093 -0.301 -10.423 1.00 0.00 C ATOM 571 O GLY A 40 7.326 0.827 -9.990 1.00 0.00 O ATOM 0 H GLY A 40 6.161 -1.322 -7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.465 -1.973 -9.140 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.973 -2.086 -10.052 1.00 0.00 H new ATOM 626 N LYS A 46 2.539 -7.463 -13.794 1.00 0.00 N ATOM 627 CA LYS A 46 2.015 -8.267 -12.706 1.00 0.00 C ATOM 628 C LYS A 46 1.887 -7.391 -11.462 1.00 0.00 C ATOM 629 O LYS A 46 2.885 -7.071 -10.812 1.00 0.00 O ATOM 630 CB LYS A 46 2.919 -9.471 -12.445 1.00 0.00 C ATOM 631 CG LYS A 46 3.065 -10.316 -13.718 1.00 0.00 C ATOM 632 CD LYS A 46 3.599 -11.727 -13.438 1.00 0.00 C ATOM 633 CE LYS A 46 4.978 -11.660 -12.773 1.00 0.00 C ATOM 634 NZ LYS A 46 5.568 -12.991 -12.551 1.00 0.00 N ATOM 0 HA LYS A 46 1.031 -8.652 -12.973 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.900 -9.132 -12.111 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.502 -10.080 -11.643 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.096 -10.391 -14.212 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.737 -9.809 -14.410 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.904 -12.263 -12.792 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.666 -12.288 -14.370 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.649 -11.069 -13.397 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.891 -11.142 -11.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.499 -12.887 -12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.944 -13.549 -11.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.678 -13.478 -13.463 1.00 0.00 H new ATOM 648 N GLN A 47 0.651 -7.029 -11.135 1.00 0.00 N ATOM 649 CA GLN A 47 0.303 -6.160 -10.023 1.00 0.00 C ATOM 650 C GLN A 47 0.809 -6.682 -8.673 1.00 0.00 C ATOM 651 O GLN A 47 1.268 -7.821 -8.555 1.00 0.00 O ATOM 652 CB GLN A 47 -1.215 -5.902 -10.043 1.00 0.00 C ATOM 653 CG GLN A 47 -2.090 -7.140 -9.805 1.00 0.00 C ATOM 654 CD GLN A 47 -3.570 -6.841 -10.050 1.00 0.00 C ATOM 655 OE1 GLN A 47 -3.955 -5.755 -10.484 1.00 0.00 O ATOM 656 NE2 GLN A 47 -4.446 -7.788 -9.762 1.00 0.00 N ATOM 0 H GLN A 47 -0.165 -7.346 -11.659 1.00 0.00 H new ATOM 0 HA GLN A 47 0.818 -5.207 -10.150 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.451 -5.158 -9.282 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.481 -5.468 -11.007 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.767 -7.946 -10.464 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.954 -7.491 -8.782 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.125 -8.687 -9.403 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.443 -7.620 -9.899 1.00 0.00 H new ATOM 665 N GLY A 48 0.715 -5.841 -7.646 1.00 0.00 N ATOM 666 CA GLY A 48 0.933 -6.220 -6.261 1.00 0.00 C ATOM 667 C GLY A 48 -0.251 -5.712 -5.459 1.00 0.00 C ATOM 668 O GLY A 48 -0.980 -4.832 -5.922 1.00 0.00 O ATOM 0 H GLY A 48 0.479 -4.855 -7.761 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.023 -7.302 -6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.862 -5.790 -5.887 1.00 0.00 H new ATOM 672 N CYS A 49 -0.500 -6.286 -4.289 1.00 0.00 N ATOM 673 CA CYS A 49 -1.686 -5.985 -3.532 1.00 0.00 C ATOM 674 C CYS A 49 -1.349 -5.992 -2.063 1.00 0.00 C ATOM 675 O CYS A 49 -0.403 -6.649 -1.627 1.00 0.00 O ATOM 676 CB CYS A 49 -2.754 -7.045 -3.790 1.00 0.00 C ATOM 677 SG CYS A 49 -3.298 -7.363 -5.489 1.00 0.00 S ATOM 0 H CYS A 49 0.117 -6.968 -3.849 1.00 0.00 H new ATOM 0 HA CYS A 49 -2.061 -5.007 -3.833 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -2.386 -7.987 -3.383 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -3.635 -6.770 -3.210 1.00 0.00 H new ATOM 682 N ALA A 50 -2.149 -5.271 -1.289 1.00 0.00 N ATOM 683 CA ALA A 50 -1.971 -5.155 0.136 1.00 0.00 C ATOM 684 C ALA A 50 -3.320 -5.183 0.828 1.00 0.00 C ATOM 685 O ALA A 50 -4.314 -4.690 0.298 1.00 0.00 O ATOM 686 CB ALA A 50 -1.230 -3.855 0.448 1.00 0.00 C ATOM 0 H ALA A 50 -2.948 -4.747 -1.646 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.381 -5.995 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.093 -3.764 1.526 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.256 -3.865 -0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.811 -3.008 0.083 1.00 0.00 H new ATOM 692 N THR A 51 -3.337 -5.727 2.036 1.00 0.00 N ATOM 693 CA THR A 51 -4.423 -5.507 2.964 1.00 0.00 C ATOM 694 C THR A 51 -4.107 -4.187 3.661 1.00 0.00 C ATOM 695 O THR A 51 -2.932 -3.891 3.884 1.00 0.00 O ATOM 696 CB THR A 51 -4.437 -6.649 3.986 1.00 0.00 C ATOM 697 OG1 THR A 51 -4.291 -7.903 3.349 1.00 0.00 O ATOM 698 CG2 THR A 51 -5.698 -6.639 4.849 1.00 0.00 C ATOM 0 H THR A 51 -2.598 -6.331 2.395 1.00 0.00 H new ATOM 0 HA THR A 51 -5.395 -5.474 2.471 1.00 0.00 H new ATOM 0 HB THR A 51 -3.585 -6.488 4.646 1.00 0.00 H new ATOM 0 HG1 THR A 51 -4.301 -8.615 4.022 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.661 -7.467 5.557 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.758 -5.697 5.395 1.00 0.00 H new ATOM 0 HG23 THR A 51 -6.576 -6.746 4.212 1.00 0.00 H new ATOM 706 N ILE A 52 -5.125 -3.391 3.979 1.00 0.00 N ATOM 707 CA ILE A 52 -4.978 -2.043 4.498 1.00 0.00 C ATOM 708 C ILE A 52 -5.801 -1.947 5.796 1.00 0.00 C ATOM 709 O ILE A 52 -6.779 -2.684 5.919 1.00 0.00 O ATOM 710 CB ILE A 52 -5.482 -1.052 3.430 1.00 0.00 C ATOM 711 CG1 ILE A 52 -5.173 -1.409 1.961 1.00 0.00 C ATOM 712 CG2 ILE A 52 -4.924 0.336 3.728 1.00 0.00 C ATOM 713 CD1 ILE A 52 -3.690 -1.380 1.587 1.00 0.00 C ATOM 0 H ILE A 52 -6.099 -3.678 3.878 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.939 -1.802 4.722 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.568 -1.096 3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.565 -2.405 1.755 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.709 -0.715 1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -5.278 1.040 2.975 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.260 0.659 4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.835 0.302 3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.575 -1.644 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.292 -0.379 1.755 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.145 -2.095 2.203 1.00 0.00 H new ATOM 725 N TRP A 53 -5.445 -1.085 6.758 1.00 0.00 N ATOM 726 CA TRP A 53 -6.156 -0.924 8.032 1.00 0.00 C ATOM 727 C TRP A 53 -6.402 0.539 8.395 1.00 0.00 C ATOM 728 O TRP A 53 -5.577 1.405 8.092 1.00 0.00 O ATOM 729 CB TRP A 53 -5.369 -1.547 9.186 1.00 0.00 C ATOM 730 CG TRP A 53 -5.337 -3.037 9.274 1.00 0.00 C ATOM 731 CD1 TRP A 53 -6.108 -3.804 10.077 1.00 0.00 C ATOM 732 CD2 TRP A 53 -4.502 -3.961 8.530 1.00 0.00 C ATOM 733 NE1 TRP A 53 -5.786 -5.134 9.907 1.00 0.00 N ATOM 734 CE2 TRP A 53 -4.808 -5.289 8.950 1.00 0.00 C ATOM 735 CE3 TRP A 53 -3.520 -3.808 7.535 1.00 0.00 C ATOM 736 CZ2 TRP A 53 -4.169 -6.412 8.412 1.00 0.00 C ATOM 737 CZ3 TRP A 53 -2.886 -4.929 6.984 1.00 0.00 C ATOM 738 CH2 TRP A 53 -3.194 -6.227 7.423 1.00 0.00 C ATOM 0 H TRP A 53 -4.638 -0.468 6.670 1.00 0.00 H new ATOM 0 HA TRP A 53 -7.112 -1.427 7.890 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.340 -1.192 9.122 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.781 -1.164 10.120 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.864 -3.430 10.752 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.216 -5.902 10.422 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.253 -2.819 7.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -4.423 -7.405 8.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -2.147 -4.793 6.208 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -2.682 -7.079 7.000 1.00 0.00 H new ATOM 749 N GLU A 54 -7.500 0.780 9.119 1.00 0.00 N ATOM 750 CA GLU A 54 -7.765 2.018 9.830 1.00 0.00 C ATOM 751 C GLU A 54 -6.757 2.166 10.966 1.00 0.00 C ATOM 752 O GLU A 54 -6.104 3.197 11.077 1.00 0.00 O ATOM 753 CB GLU A 54 -9.219 1.996 10.338 1.00 0.00 C ATOM 754 CG GLU A 54 -9.550 3.041 11.421 1.00 0.00 C ATOM 755 CD GLU A 54 -9.179 2.562 12.820 1.00 0.00 C ATOM 756 OE1 GLU A 54 -9.591 1.431 13.147 1.00 0.00 O ATOM 757 OE2 GLU A 54 -8.429 3.288 13.513 1.00 0.00 O ATOM 0 H GLU A 54 -8.246 0.093 9.224 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.652 2.881 9.174 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.886 2.151 9.490 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.434 1.004 10.735 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.018 3.967 11.204 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.615 3.270 11.388 1.00 0.00 H new ATOM 764 N GLY A 55 -6.647 1.172 11.840 1.00 0.00 N ATOM 765 CA GLY A 55 -5.910 1.320 13.079 1.00 0.00 C ATOM 766 C GLY A 55 -4.419 1.385 12.810 1.00 0.00 C ATOM 767 O GLY A 55 -3.857 0.490 12.178 1.00 0.00 O ATOM 0 H GLY A 55 -7.064 0.251 11.707 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.232 2.225 13.594 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.129 0.482 13.741 1.00 0.00 H new ATOM 771 N SER A 56 -3.821 2.465 13.305 1.00 0.00 N ATOM 772 CA SER A 56 -2.524 3.036 12.976 1.00 0.00 C ATOM 773 C SER A 56 -1.354 2.146 13.433 1.00 0.00 C ATOM 774 O SER A 56 -0.592 2.503 14.332 1.00 0.00 O ATOM 775 CB SER A 56 -2.485 4.428 13.630 1.00 0.00 C ATOM 776 OG SER A 56 -3.355 4.483 14.758 1.00 0.00 O ATOM 0 H SER A 56 -4.286 3.019 14.024 1.00 0.00 H new ATOM 0 HA SER A 56 -2.403 3.111 11.895 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.466 4.661 13.940 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.778 5.185 12.902 1.00 0.00 H new ATOM 0 HG SER A 56 -3.314 5.376 15.160 1.00 0.00 H new ATOM 782 N GLY A 57 -1.212 0.984 12.814 1.00 0.00 N ATOM 783 CA GLY A 57 -0.126 0.032 12.964 1.00 0.00 C ATOM 784 C GLY A 57 -0.413 -1.156 12.049 1.00 0.00 C ATOM 785 O GLY A 57 0.389 -1.485 11.181 1.00 0.00 O ATOM 0 H GLY A 57 -1.907 0.659 12.142 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.826 0.494 12.702 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.046 -0.295 14.001 1.00 0.00 H new ATOM 789 N CYS A 58 -1.598 -1.747 12.230 1.00 0.00 N ATOM 790 CA CYS A 58 -2.316 -2.715 11.398 1.00 0.00 C ATOM 791 C CYS A 58 -3.412 -3.367 12.242 1.00 0.00 C ATOM 792 O CYS A 58 -3.538 -4.590 12.318 1.00 0.00 O ATOM 793 CB CYS A 58 -1.439 -3.762 10.700 1.00 0.00 C ATOM 794 SG CYS A 58 -0.670 -5.011 11.750 1.00 0.00 S ATOM 0 H CYS A 58 -2.142 -1.531 13.066 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.747 -2.156 10.568 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -2.049 -4.273 9.955 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.649 -3.239 10.161 1.00 0.00 H new ATOM 799 N VAL A 59 -4.208 -2.540 12.914 1.00 0.00 N ATOM 800 CA VAL A 59 -5.285 -2.929 13.802 1.00 0.00 C ATOM 801 C VAL A 59 -6.559 -2.225 13.346 1.00 0.00 C ATOM 802 O VAL A 59 -6.531 -1.486 12.368 1.00 0.00 O ATOM 803 CB VAL A 59 -4.884 -2.652 15.258 1.00 0.00 C ATOM 804 CG1 VAL A 59 -3.905 -3.724 15.743 1.00 0.00 C ATOM 805 CG2 VAL A 59 -4.247 -1.277 15.477 1.00 0.00 C ATOM 0 H VAL A 59 -4.109 -1.527 12.846 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.484 -4.000 13.759 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.812 -2.672 15.829 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.625 -3.520 16.777 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -4.379 -4.704 15.681 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.013 -3.712 15.117 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.992 -1.158 16.530 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.343 -1.194 14.873 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.952 -0.499 15.184 1.00 0.00 H new ATOM 815 N GLY A 60 -7.692 -2.491 13.981 1.00 0.00 N ATOM 816 CA GLY A 60 -8.926 -1.824 13.609 1.00 0.00 C ATOM 817 C GLY A 60 -9.453 -2.377 12.290 1.00 0.00 C ATOM 818 O GLY A 60 -9.139 -3.513 11.927 1.00 0.00 O ATOM 0 H GLY A 60 -7.780 -3.157 14.748 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.672 -1.962 14.392 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -8.754 -0.752 13.518 1.00 0.00 H new ATOM 822 N ARG A 61 -10.276 -1.609 11.583 1.00 0.00 N ATOM 823 CA ARG A 61 -11.069 -2.127 10.475 1.00 0.00 C ATOM 824 C ARG A 61 -10.220 -2.140 9.226 1.00 0.00 C ATOM 825 O ARG A 61 -9.548 -1.149 8.951 1.00 0.00 O ATOM 826 CB ARG A 61 -12.354 -1.304 10.331 1.00 0.00 C ATOM 827 CG ARG A 61 -13.430 -1.985 9.470 1.00 0.00 C ATOM 828 CD ARG A 61 -13.303 -1.669 7.972 1.00 0.00 C ATOM 829 NE ARG A 61 -14.494 -2.114 7.231 1.00 0.00 N ATOM 830 CZ ARG A 61 -14.747 -3.370 6.824 1.00 0.00 C ATOM 831 NH1 ARG A 61 -13.830 -4.327 6.910 1.00 0.00 N ATOM 832 NH2 ARG A 61 -15.945 -3.691 6.336 1.00 0.00 N ATOM 0 H ARG A 61 -10.411 -0.614 11.761 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.380 -3.155 10.662 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.764 -1.110 11.322 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.108 -0.337 9.892 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -13.370 -3.064 9.613 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -14.415 -1.672 9.818 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.166 -0.596 7.834 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.417 -2.158 7.568 1.00 0.00 H new ATOM 0 HE ARG A 61 -15.191 -1.405 7.006 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.908 -4.117 7.292 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.048 -5.272 6.594 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -16.675 -2.982 6.270 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.131 -4.646 6.029 1.00 0.00 H new ATOM 846 N SER A 62 -10.224 -3.259 8.492 1.00 0.00 N ATOM 847 CA SER A 62 -9.359 -3.399 7.340 1.00 0.00 C ATOM 848 C SER A 62 -10.135 -3.476 6.040 1.00 0.00 C ATOM 849 O SER A 62 -11.294 -3.895 6.016 1.00 0.00 O ATOM 850 CB SER A 62 -8.413 -4.590 7.492 1.00 0.00 C ATOM 851 OG SER A 62 -9.093 -5.741 7.943 1.00 0.00 O ATOM 0 H SER A 62 -10.815 -4.068 8.682 1.00 0.00 H new ATOM 0 HA SER A 62 -8.753 -2.494 7.293 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.936 -4.801 6.535 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.619 -4.337 8.195 1.00 0.00 H new ATOM 0 HG SER A 62 -8.459 -6.483 8.027 1.00 0.00 H new ATOM 857 N THR A 63 -9.455 -3.136 4.958 1.00 0.00 N ATOM 858 CA THR A 63 -9.894 -3.225 3.579 1.00 0.00 C ATOM 859 C THR A 63 -8.766 -3.902 2.797 1.00 0.00 C ATOM 860 O THR A 63 -7.767 -4.318 3.387 1.00 0.00 O ATOM 861 CB THR A 63 -10.234 -1.808 3.078 1.00 0.00 C ATOM 862 OG1 THR A 63 -9.510 -0.839 3.822 1.00 0.00 O ATOM 863 CG2 THR A 63 -11.732 -1.560 3.269 1.00 0.00 C ATOM 0 H THR A 63 -8.509 -2.762 5.029 1.00 0.00 H new ATOM 0 HA THR A 63 -10.799 -3.820 3.452 1.00 0.00 H new ATOM 0 HB THR A 63 -9.965 -1.727 2.025 1.00 0.00 H new ATOM 0 HG1 THR A 63 -10.123 -0.357 4.415 1.00 0.00 H new ATOM 0 HG21 THR A 63 -11.983 -0.559 2.917 1.00 0.00 H new ATOM 0 HG22 THR A 63 -12.298 -2.297 2.700 1.00 0.00 H new ATOM 0 HG23 THR A 63 -11.983 -1.647 4.326 1.00 0.00 H new ATOM 871 N THR A 64 -8.928 -4.051 1.488 1.00 0.00 N ATOM 872 CA THR A 64 -7.959 -4.706 0.633 1.00 0.00 C ATOM 873 C THR A 64 -7.804 -3.835 -0.606 1.00 0.00 C ATOM 874 O THR A 64 -8.797 -3.293 -1.094 1.00 0.00 O ATOM 875 CB THR A 64 -8.417 -6.146 0.353 1.00 0.00 C ATOM 876 OG1 THR A 64 -7.577 -6.749 -0.607 1.00 0.00 O ATOM 877 CG2 THR A 64 -9.876 -6.235 -0.113 1.00 0.00 C ATOM 0 H THR A 64 -9.750 -3.713 0.988 1.00 0.00 H new ATOM 0 HA THR A 64 -6.976 -4.805 1.094 1.00 0.00 H new ATOM 0 HB THR A 64 -8.349 -6.680 1.301 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.878 -7.666 -0.775 1.00 0.00 H new ATOM 0 HG21 THR A 64 -10.137 -7.278 -0.294 1.00 0.00 H new ATOM 0 HG22 THR A 64 -10.530 -5.825 0.657 1.00 0.00 H new ATOM 0 HG23 THR A 64 -9.999 -5.665 -1.034 1.00 0.00 H new ATOM 885 N MET A 65 -6.572 -3.632 -1.062 1.00 0.00 N ATOM 886 CA MET A 65 -6.270 -2.717 -2.156 1.00 0.00 C ATOM 887 C MET A 65 -5.161 -3.301 -3.037 1.00 0.00 C ATOM 888 O MET A 65 -4.031 -3.489 -2.586 1.00 0.00 O ATOM 889 CB MET A 65 -5.934 -1.336 -1.571 1.00 0.00 C ATOM 890 CG MET A 65 -6.004 -0.186 -2.585 1.00 0.00 C ATOM 891 SD MET A 65 -4.714 -0.096 -3.852 1.00 0.00 S ATOM 892 CE MET A 65 -3.241 0.058 -2.824 1.00 0.00 C ATOM 0 H MET A 65 -5.751 -4.101 -0.680 1.00 0.00 H new ATOM 0 HA MET A 65 -7.133 -2.587 -2.809 1.00 0.00 H new ATOM 0 HB2 MET A 65 -6.621 -1.125 -0.752 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.931 -1.369 -1.145 1.00 0.00 H new ATOM 0 HG2 MET A 65 -6.967 -0.245 -3.092 1.00 0.00 H new ATOM 0 HG3 MET A 65 -5.993 0.752 -2.029 1.00 0.00 H new ATOM 0 HE1 MET A 65 -2.402 0.388 -3.437 1.00 0.00 H new ATOM 0 HE2 MET A 65 -3.423 0.787 -2.035 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.006 -0.908 -2.378 1.00 0.00 H new ATOM 902 N CYS A 66 -5.498 -3.613 -4.288 1.00 0.00 N ATOM 903 CA CYS A 66 -4.562 -4.040 -5.320 1.00 0.00 C ATOM 904 C CYS A 66 -4.160 -2.846 -6.167 1.00 0.00 C ATOM 905 O CYS A 66 -4.991 -1.984 -6.457 1.00 0.00 O ATOM 906 CB CYS A 66 -5.183 -5.087 -6.236 1.00 0.00 C ATOM 907 SG CYS A 66 -5.296 -6.757 -5.570 1.00 0.00 S ATOM 0 H CYS A 66 -6.462 -3.573 -4.619 1.00 0.00 H new ATOM 0 HA CYS A 66 -3.695 -4.473 -4.822 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.186 -4.756 -6.504 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.602 -5.124 -7.158 1.00 0.00 H new ATOM 912 N CYS A 67 -2.900 -2.810 -6.586 1.00 0.00 N ATOM 913 CA CYS A 67 -2.303 -1.733 -7.358 1.00 0.00 C ATOM 914 C CYS A 67 -1.335 -2.296 -8.407 1.00 0.00 C ATOM 915 O CYS A 67 -0.434 -3.055 -8.042 1.00 0.00 O ATOM 916 CB CYS A 67 -1.526 -0.839 -6.406 1.00 0.00 C ATOM 917 SG CYS A 67 -0.858 0.598 -7.265 1.00 0.00 S ATOM 0 H CYS A 67 -2.242 -3.563 -6.387 1.00 0.00 H new ATOM 0 HA CYS A 67 -3.089 -1.175 -7.867 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.178 -0.512 -5.596 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -0.713 -1.406 -5.952 1.00 0.00 H new ATOM 922 N PRO A 68 -1.508 -1.991 -9.702 1.00 0.00 N ATOM 923 CA PRO A 68 -0.571 -2.411 -10.728 1.00 0.00 C ATOM 924 C PRO A 68 0.844 -1.941 -10.418 1.00 0.00 C ATOM 925 O PRO A 68 1.037 -0.817 -9.966 1.00 0.00 O ATOM 926 CB PRO A 68 -1.057 -1.795 -12.038 1.00 0.00 C ATOM 927 CG PRO A 68 -2.532 -1.526 -11.787 1.00 0.00 C ATOM 928 CD PRO A 68 -2.611 -1.253 -10.287 1.00 0.00 C ATOM 0 HA PRO A 68 -0.533 -3.499 -10.785 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.517 -0.878 -12.273 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.912 -2.474 -12.878 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.886 -0.673 -12.366 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.147 -2.381 -12.070 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.526 -0.187 -10.077 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -3.566 -1.583 -9.877 1.00 0.00 H new ATOM 936 N ALA A 69 1.832 -2.749 -10.782 1.00 0.00 N ATOM 937 CA ALA A 69 3.194 -2.282 -10.910 1.00 0.00 C ATOM 938 C ALA A 69 3.212 -1.447 -12.181 1.00 0.00 C ATOM 939 O ALA A 69 2.567 -1.813 -13.162 1.00 0.00 O ATOM 940 CB ALA A 69 4.145 -3.470 -11.072 1.00 0.00 C ATOM 0 H ALA A 69 1.707 -3.739 -10.994 1.00 0.00 H new ATOM 0 HA ALA A 69 3.511 -1.717 -10.034 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.168 -3.107 -11.168 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.070 -4.118 -10.199 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.875 -4.033 -11.965 1.00 0.00 H new ATOM 946 N ASN A 70 3.930 -0.326 -12.155 1.00 0.00 N ATOM 947 CA ASN A 70 3.896 0.688 -13.202 1.00 0.00 C ATOM 948 C ASN A 70 2.576 1.446 -13.071 1.00 0.00 C ATOM 949 O ASN A 70 1.889 1.682 -14.065 1.00 0.00 O ATOM 950 CB ASN A 70 4.104 0.137 -14.637 1.00 0.00 C ATOM 951 CG ASN A 70 5.366 -0.702 -14.819 1.00 0.00 C ATOM 952 OD1 ASN A 70 6.365 -0.233 -15.360 1.00 0.00 O ATOM 953 ND2 ASN A 70 5.365 -1.949 -14.366 1.00 0.00 N ATOM 0 H ASN A 70 4.563 -0.094 -11.390 1.00 0.00 H new ATOM 0 HA ASN A 70 4.746 1.355 -13.056 1.00 0.00 H new ATOM 0 HB2 ASN A 70 3.239 -0.468 -14.909 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.138 0.975 -15.333 1.00 0.00 H new ATOM 0 HD21 ASN A 70 6.199 -2.528 -14.465 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.531 -2.328 -13.919 1.00 0.00 H new ATOM 960 N THR A 71 2.193 1.828 -11.849 1.00 0.00 N ATOM 961 CA THR A 71 1.059 2.705 -11.599 1.00 0.00 C ATOM 962 C THR A 71 1.279 3.420 -10.264 1.00 0.00 C ATOM 963 O THR A 71 1.795 2.841 -9.303 1.00 0.00 O ATOM 964 CB THR A 71 -0.265 1.911 -11.613 1.00 0.00 C ATOM 965 OG1 THR A 71 -0.651 1.595 -12.943 1.00 0.00 O ATOM 966 CG2 THR A 71 -1.437 2.657 -10.977 1.00 0.00 C ATOM 0 H THR A 71 2.672 1.530 -10.999 1.00 0.00 H new ATOM 0 HA THR A 71 0.984 3.450 -12.391 1.00 0.00 H new ATOM 0 HB THR A 71 -0.057 1.016 -11.027 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.140 1.594 -13.522 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.332 2.036 -11.024 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.204 2.880 -9.936 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.612 3.588 -11.517 1.00 0.00 H new ATOM 974 N CYS A 72 0.837 4.674 -10.216 1.00 0.00 N ATOM 975 CA CYS A 72 0.628 5.446 -9.006 1.00 0.00 C ATOM 976 C CYS A 72 -0.823 5.251 -8.563 1.00 0.00 C ATOM 977 O CYS A 72 -1.747 5.424 -9.363 1.00 0.00 O ATOM 978 CB CYS A 72 0.909 6.914 -9.307 1.00 0.00 C ATOM 979 SG CYS A 72 0.216 8.005 -8.074 1.00 0.00 S ATOM 0 H CYS A 72 0.606 5.198 -11.060 1.00 0.00 H new ATOM 0 HA CYS A 72 1.295 5.120 -8.208 1.00 0.00 H new ATOM 0 HB2 CYS A 72 1.986 7.071 -9.363 1.00 0.00 H new ATOM 0 HB3 CYS A 72 0.498 7.167 -10.284 1.00 0.00 H new ATOM 984 N CYS A 73 -1.036 4.821 -7.321 1.00 0.00 N ATOM 985 CA CYS A 73 -2.342 4.496 -6.764 1.00 0.00 C ATOM 986 C CYS A 73 -2.649 5.449 -5.625 1.00 0.00 C ATOM 987 O CYS A 73 -1.769 5.726 -4.810 1.00 0.00 O ATOM 988 CB CYS A 73 -2.394 3.048 -6.266 1.00 0.00 C ATOM 989 SG CYS A 73 -2.521 1.816 -7.578 1.00 0.00 S ATOM 0 H CYS A 73 -0.276 4.686 -6.654 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.090 4.602 -7.550 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -1.498 2.846 -5.679 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.246 2.937 -5.596 1.00 0.00 H new ATOM 994 N ASN A 74 -3.884 5.951 -5.567 1.00 0.00 N ATOM 995 CA ASN A 74 -4.323 6.933 -4.583 1.00 0.00 C ATOM 996 C ASN A 74 -5.060 6.227 -3.452 1.00 0.00 C ATOM 997 O ASN A 74 -6.147 5.684 -3.649 1.00 0.00 O ATOM 998 CB ASN A 74 -5.241 7.969 -5.232 1.00 0.00 C ATOM 999 CG ASN A 74 -5.719 9.018 -4.231 1.00 0.00 C ATOM 1000 OD1 ASN A 74 -6.834 9.521 -4.351 1.00 0.00 O ATOM 1001 ND2 ASN A 74 -4.937 9.380 -3.217 1.00 0.00 N ATOM 0 H ASN A 74 -4.620 5.678 -6.218 1.00 0.00 H new ATOM 0 HA ASN A 74 -3.448 7.446 -4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -4.712 8.461 -6.048 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -6.103 7.466 -5.669 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -5.264 10.072 -2.543 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.011 8.965 -3.114 1.00 0.00 H new ATOM 1008 N ILE A 75 -4.456 6.199 -2.269 1.00 0.00 N ATOM 1009 CA ILE A 75 -4.895 5.379 -1.158 1.00 0.00 C ATOM 1010 C ILE A 75 -6.026 6.106 -0.426 1.00 0.00 C ATOM 1011 O ILE A 75 -5.808 6.963 0.430 1.00 0.00 O ATOM 1012 CB ILE A 75 -3.663 4.986 -0.311 1.00 0.00 C ATOM 1013 CG1 ILE A 75 -2.976 3.742 -0.889 1.00 0.00 C ATOM 1014 CG2 ILE A 75 -3.966 4.628 1.136 1.00 0.00 C ATOM 1015 CD1 ILE A 75 -2.640 3.910 -2.360 1.00 0.00 C ATOM 0 H ILE A 75 -3.631 6.759 -2.057 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.331 4.430 -1.471 1.00 0.00 H new ATOM 0 HB ILE A 75 -3.043 5.882 -0.341 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.063 3.539 -0.329 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.627 2.877 -0.762 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.040 4.367 1.648 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.427 5.481 1.633 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.649 3.779 1.165 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.155 3.006 -2.728 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.556 4.086 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.968 4.759 -2.485 1.00 0.00 H new ATOM 1027 N ASN A 76 -7.259 5.752 -0.770 1.00 0.00 N ATOM 1028 CA ASN A 76 -8.461 6.037 -0.001 1.00 0.00 C ATOM 1029 C ASN A 76 -9.340 4.802 -0.122 1.00 0.00 C ATOM 1030 O ASN A 76 -9.165 3.998 -1.043 1.00 0.00 O ATOM 1031 CB ASN A 76 -9.224 7.297 -0.454 1.00 0.00 C ATOM 1032 CG ASN A 76 -8.841 7.812 -1.835 1.00 0.00 C ATOM 1033 OD1 ASN A 76 -9.257 7.278 -2.857 1.00 0.00 O ATOM 1034 ND2 ASN A 76 -8.046 8.872 -1.886 1.00 0.00 N ATOM 0 H ASN A 76 -7.455 5.237 -1.629 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.179 6.254 1.029 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.292 7.081 -0.445 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.053 8.090 0.274 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -7.769 9.259 -2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -7.711 9.301 -1.023 1.00 0.00 H new ATOM 1041 N THR A 77 -10.257 4.630 0.824 1.00 0.00 N ATOM 1042 CA THR A 77 -11.342 3.675 0.722 1.00 0.00 C ATOM 1043 C THR A 77 -12.608 4.434 1.129 1.00 0.00 C ATOM 1044 O THR A 77 -12.651 5.656 1.000 1.00 0.00 O ATOM 1045 CB THR A 77 -11.038 2.446 1.599 1.00 0.00 C ATOM 1046 OG1 THR A 77 -11.140 2.753 2.976 1.00 0.00 O ATOM 1047 CG2 THR A 77 -9.646 1.871 1.324 1.00 0.00 C ATOM 0 H THR A 77 -10.263 5.161 1.695 1.00 0.00 H new ATOM 0 HA THR A 77 -11.475 3.278 -0.285 1.00 0.00 H new ATOM 0 HB THR A 77 -11.786 1.698 1.336 1.00 0.00 H new ATOM 0 HG1 THR A 77 -10.757 3.640 3.143 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.476 1.006 1.965 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.578 1.567 0.279 1.00 0.00 H new ATOM 0 HG23 THR A 77 -8.891 2.630 1.531 1.00 0.00 H new ATOM 1055 N GLY A 78 -13.595 3.748 1.702 1.00 0.00 N ATOM 1056 CA GLY A 78 -14.669 4.424 2.409 1.00 0.00 C ATOM 1057 C GLY A 78 -14.117 5.241 3.580 1.00 0.00 C ATOM 1058 O GLY A 78 -14.724 6.227 3.983 1.00 0.00 O ATOM 0 H GLY A 78 -13.669 2.731 1.688 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -15.206 5.079 1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -15.387 3.691 2.777 1.00 0.00 H new ATOM 1062 N PHE A 79 -12.990 4.817 4.159 1.00 0.00 N ATOM 1063 CA PHE A 79 -12.339 5.487 5.263 1.00 0.00 C ATOM 1064 C PHE A 79 -10.892 5.770 4.919 1.00 0.00 C ATOM 1065 O PHE A 79 -10.346 5.241 3.946 1.00 0.00 O ATOM 1066 CB PHE A 79 -12.468 4.629 6.525 1.00 0.00 C ATOM 1067 CG PHE A 79 -12.049 3.175 6.378 1.00 0.00 C ATOM 1068 CD1 PHE A 79 -12.933 2.234 5.817 1.00 0.00 C ATOM 1069 CD2 PHE A 79 -10.782 2.757 6.828 1.00 0.00 C ATOM 1070 CE1 PHE A 79 -12.529 0.898 5.653 1.00 0.00 C ATOM 1071 CE2 PHE A 79 -10.400 1.410 6.711 1.00 0.00 C ATOM 1072 CZ PHE A 79 -11.265 0.484 6.110 1.00 0.00 C ATOM 0 H PHE A 79 -12.501 3.975 3.857 1.00 0.00 H new ATOM 0 HA PHE A 79 -12.822 6.445 5.454 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.868 5.083 7.314 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -13.506 4.657 6.857 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.923 2.539 5.512 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -10.102 3.474 7.264 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -13.189 0.189 5.176 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -9.439 1.087 7.084 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.961 -0.546 5.998 1.00 0.00 H new ATOM 1082 N TYR A 80 -10.298 6.648 5.725 1.00 0.00 N ATOM 1083 CA TYR A 80 -8.898 6.976 5.629 1.00 0.00 C ATOM 1084 C TYR A 80 -8.122 5.872 6.338 1.00 0.00 C ATOM 1085 O TYR A 80 -8.545 5.417 7.399 1.00 0.00 O ATOM 1086 CB TYR A 80 -8.623 8.346 6.248 1.00 0.00 C ATOM 1087 CG TYR A 80 -7.177 8.797 6.164 1.00 0.00 C ATOM 1088 CD1 TYR A 80 -6.276 8.477 7.196 1.00 0.00 C ATOM 1089 CD2 TYR A 80 -6.744 9.580 5.078 1.00 0.00 C ATOM 1090 CE1 TYR A 80 -4.947 8.927 7.134 1.00 0.00 C ATOM 1091 CE2 TYR A 80 -5.417 10.042 5.024 1.00 0.00 C ATOM 1092 CZ TYR A 80 -4.512 9.704 6.046 1.00 0.00 C ATOM 1093 OH TYR A 80 -3.207 10.080 5.951 1.00 0.00 O ATOM 0 H TYR A 80 -10.789 7.150 6.465 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.584 7.038 4.587 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -9.250 9.087 5.752 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.923 8.324 7.296 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.607 7.885 8.037 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.433 9.827 4.284 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -4.256 8.675 7.925 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.093 10.657 4.197 1.00 0.00 H new ATOM 0 HH TYR A 80 -3.078 10.612 5.138 1.00 0.00 H new ATOM 1103 N ILE A 81 -7.019 5.430 5.747 1.00 0.00 N ATOM 1104 CA ILE A 81 -6.278 4.268 6.180 1.00 0.00 C ATOM 1105 C ILE A 81 -4.906 4.689 6.700 1.00 0.00 C ATOM 1106 O ILE A 81 -4.340 5.681 6.237 1.00 0.00 O ATOM 1107 CB ILE A 81 -6.156 3.270 5.038 1.00 0.00 C ATOM 1108 CG1 ILE A 81 -6.004 3.987 3.694 1.00 0.00 C ATOM 1109 CG2 ILE A 81 -7.318 2.261 5.069 1.00 0.00 C ATOM 1110 CD1 ILE A 81 -7.303 4.493 3.069 1.00 0.00 C ATOM 0 H ILE A 81 -6.610 5.887 4.932 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.813 3.781 6.995 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.244 2.689 5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.331 4.834 3.828 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -5.524 3.306 2.991 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.211 1.557 4.244 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.303 1.718 6.014 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.264 2.793 4.971 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -7.083 4.985 2.121 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.975 3.652 2.895 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -7.779 5.204 3.745 1.00 0.00 H new ATOM 1122 N ARG A 82 -4.385 3.938 7.667 1.00 0.00 N ATOM 1123 CA ARG A 82 -3.192 4.289 8.430 1.00 0.00 C ATOM 1124 C ARG A 82 -2.226 3.137 8.595 1.00 0.00 C ATOM 1125 O ARG A 82 -1.169 3.317 9.185 1.00 0.00 O ATOM 1126 CB ARG A 82 -3.593 4.721 9.825 1.00 0.00 C ATOM 1127 CG ARG A 82 -4.709 5.738 9.692 1.00 0.00 C ATOM 1128 CD ARG A 82 -4.891 6.461 11.000 1.00 0.00 C ATOM 1129 NE ARG A 82 -5.740 5.709 11.926 1.00 0.00 N ATOM 1130 CZ ARG A 82 -5.778 5.890 13.248 1.00 0.00 C ATOM 1131 NH1 ARG A 82 -5.096 6.898 13.791 1.00 0.00 N ATOM 1132 NH2 ARG A 82 -6.483 5.044 13.992 1.00 0.00 N ATOM 0 H ARG A 82 -4.792 3.046 7.948 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.700 5.083 7.868 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.925 3.863 10.410 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -2.742 5.154 10.350 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -4.474 6.450 8.901 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.636 5.241 9.408 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -3.917 6.633 11.458 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.333 7.440 10.815 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.349 4.992 11.531 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -4.551 7.523 13.197 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -5.119 7.044 14.800 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -6.983 4.272 13.551 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.524 5.166 15.004 1.00 0.00 H new ATOM 1146 N SER A 83 -2.595 1.963 8.112 1.00 0.00 N ATOM 1147 CA SER A 83 -1.627 0.876 7.923 1.00 0.00 C ATOM 1148 C SER A 83 -1.839 0.065 6.655 1.00 0.00 C ATOM 1149 O SER A 83 -2.939 0.074 6.106 1.00 0.00 O ATOM 1150 CB SER A 83 -1.616 -0.075 9.109 1.00 0.00 C ATOM 1151 OG SER A 83 -2.040 0.588 10.279 1.00 0.00 O ATOM 0 H SER A 83 -3.551 1.731 7.842 1.00 0.00 H new ATOM 0 HA SER A 83 -0.667 1.384 7.832 1.00 0.00 H new ATOM 0 HB2 SER A 83 -2.270 -0.924 8.908 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.612 -0.473 9.254 1.00 0.00 H new ATOM 0 HG SER A 83 -2.831 0.138 10.642 1.00 0.00 H new ATOM 1157 N TYR A 84 -0.824 -0.708 6.260 1.00 0.00 N ATOM 1158 CA TYR A 84 -0.938 -1.751 5.259 1.00 0.00 C ATOM 1159 C TYR A 84 -0.056 -2.954 5.575 1.00 0.00 C ATOM 1160 O TYR A 84 0.759 -2.931 6.497 1.00 0.00 O ATOM 1161 CB TYR A 84 -0.673 -1.203 3.851 1.00 0.00 C ATOM 1162 CG TYR A 84 0.785 -1.086 3.431 1.00 0.00 C ATOM 1163 CD1 TYR A 84 1.579 -0.002 3.850 1.00 0.00 C ATOM 1164 CD2 TYR A 84 1.335 -2.041 2.556 1.00 0.00 C ATOM 1165 CE1 TYR A 84 2.860 0.188 3.297 1.00 0.00 C ATOM 1166 CE2 TYR A 84 2.625 -1.865 2.034 1.00 0.00 C ATOM 1167 CZ TYR A 84 3.372 -0.727 2.363 1.00 0.00 C ATOM 1168 OH TYR A 84 4.580 -0.535 1.760 1.00 0.00 O ATOM 0 H TYR A 84 0.118 -0.617 6.641 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.968 -2.108 5.284 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.184 -1.845 3.133 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -1.129 -0.216 3.778 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.206 0.684 4.596 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.761 -2.914 2.285 1.00 0.00 H new ATOM 0 HE1 TYR A 84 3.452 1.042 3.593 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.044 -2.611 1.375 1.00 0.00 H new ATOM 0 HH TYR A 84 5.171 -0.038 2.363 1.00 0.00 H new ATOM 1178 N ARG A 85 -0.251 -4.004 4.785 1.00 0.00 N ATOM 1179 CA ARG A 85 0.584 -5.193 4.703 1.00 0.00 C ATOM 1180 C ARG A 85 0.488 -5.675 3.264 1.00 0.00 C ATOM 1181 O ARG A 85 -0.622 -5.937 2.805 1.00 0.00 O ATOM 1182 CB ARG A 85 0.026 -6.275 5.641 1.00 0.00 C ATOM 1183 CG ARG A 85 0.647 -7.660 5.465 1.00 0.00 C ATOM 1184 CD ARG A 85 -0.414 -8.602 4.885 1.00 0.00 C ATOM 1185 NE ARG A 85 0.216 -9.793 4.327 1.00 0.00 N ATOM 1186 CZ ARG A 85 -0.082 -11.068 4.635 1.00 0.00 C ATOM 1187 NH1 ARG A 85 -1.173 -11.376 5.335 1.00 0.00 N ATOM 1188 NH2 ARG A 85 0.728 -12.046 4.251 1.00 0.00 N ATOM 0 H ARG A 85 -1.045 -4.049 4.147 1.00 0.00 H new ATOM 0 HA ARG A 85 1.614 -4.983 4.991 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.175 -5.954 6.672 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -1.050 -6.352 5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.509 -7.606 4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.006 -8.038 6.422 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -1.121 -8.888 5.664 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.983 -8.087 4.111 1.00 0.00 H new ATOM 0 HE ARG A 85 0.953 -9.645 3.637 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -1.803 -10.638 5.649 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.379 -12.350 5.557 1.00 0.00 H new ATOM 0 HH21 ARG A 85 1.574 -11.830 3.724 1.00 0.00 H new ATOM 0 HH22 ARG A 85 0.505 -13.014 4.483 1.00 0.00 H new ATOM 1202 N ARG A 86 1.604 -5.824 2.553 1.00 0.00 N ATOM 1203 CA ARG A 86 1.556 -6.422 1.227 1.00 0.00 C ATOM 1204 C ARG A 86 1.241 -7.915 1.364 1.00 0.00 C ATOM 1205 O ARG A 86 1.758 -8.578 2.273 1.00 0.00 O ATOM 1206 CB ARG A 86 2.864 -6.143 0.484 1.00 0.00 C ATOM 1207 CG ARG A 86 2.932 -6.819 -0.889 1.00 0.00 C ATOM 1208 CD ARG A 86 4.294 -6.545 -1.527 1.00 0.00 C ATOM 1209 NE ARG A 86 4.494 -7.402 -2.703 1.00 0.00 N ATOM 1210 CZ ARG A 86 5.685 -7.708 -3.233 1.00 0.00 C ATOM 1211 NH1 ARG A 86 6.765 -7.023 -2.860 1.00 0.00 N ATOM 1212 NH2 ARG A 86 5.785 -8.708 -4.097 1.00 0.00 N ATOM 0 H ARG A 86 2.533 -5.544 2.867 1.00 0.00 H new ATOM 0 HA ARG A 86 0.761 -5.978 0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.981 -5.067 0.358 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.701 -6.486 1.093 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.777 -7.893 -0.785 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.136 -6.443 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.361 -5.497 -1.818 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.086 -6.725 -0.800 1.00 0.00 H new ATOM 0 HE ARG A 86 3.664 -7.793 -3.149 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.681 -6.272 -2.175 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.676 -7.250 -3.259 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.956 -9.242 -4.357 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.691 -8.943 -4.502 1.00 0.00 H new ATOM 1226 N VAL A 87 0.380 -8.425 0.480 1.00 0.00 N ATOM 1227 CA VAL A 87 -0.010 -9.827 0.405 1.00 0.00 C ATOM 1228 C VAL A 87 0.669 -10.519 -0.778 1.00 0.00 C ATOM 1229 O VAL A 87 1.133 -11.652 -0.632 1.00 0.00 O ATOM 1230 CB VAL A 87 -1.545 -9.992 0.376 1.00 0.00 C ATOM 1231 CG1 VAL A 87 -2.172 -9.491 1.679 1.00 0.00 C ATOM 1232 CG2 VAL A 87 -2.254 -9.291 -0.787 1.00 0.00 C ATOM 0 H VAL A 87 -0.078 -7.849 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 87 0.336 -10.321 1.313 1.00 0.00 H new ATOM 0 HB VAL A 87 -1.691 -11.064 0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.254 -9.618 1.635 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -1.774 -10.062 2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -1.936 -8.436 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -3.327 -9.467 -0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -2.058 -8.220 -0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.882 -9.687 -1.732 1.00 0.00 H new ATOM 1242 N GLU A 88 0.731 -9.851 -1.929 1.00 0.00 N ATOM 1243 CA GLU A 88 1.293 -10.378 -3.154 1.00 0.00 C ATOM 1244 C GLU A 88 2.016 -9.213 -3.821 1.00 0.00 C ATOM 1245 CB GLU A 88 0.180 -10.904 -4.065 1.00 0.00 C ATOM 1246 CG GLU A 88 0.745 -11.951 -5.035 1.00 0.00 C ATOM 1247 CD GLU A 88 0.569 -13.357 -4.500 1.00 0.00 C ATOM 1248 OE1 GLU A 88 -0.603 -13.745 -4.315 1.00 0.00 O ATOM 1249 OE2 GLU A 88 1.586 -14.071 -4.355 1.00 0.00 O ATOM 0 H GLU A 88 0.378 -8.899 -2.029 1.00 0.00 H new ATOM 0 HA GLU A 88 1.971 -11.208 -2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.615 -11.345 -3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.263 -10.080 -4.624 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.245 -11.862 -5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 88 1.804 -11.756 -5.206 1.00 0.00 H new