USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 600 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 26 THR OG1 : rot -173:sc= 0.758 USER MOD Set 1.2: A 28 SER OG : rot -62:sc= 0.855 USER MOD Single : A 5 LYS NZ :NH3+ -177:sc= 0.937 (180deg=0.93) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= 1.2 (180deg=0.868) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -175:sc= 0.925 (180deg=0.908) USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -62:sc= 0.886 USER MOD Single : A 29 SER OG : rot 159:sc= 0.887 USER MOD Single : A 31 LYS NZ :NH3+ -173:sc= 0.865 (180deg=0.802) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 0.771 (180deg=0.59) USER MOD Single : A 35 HIS : no HE2:sc= 0.843 K(o=0.84,f=-2.6!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -158:sc= -0.117 (180deg=-0.588) USER MOD Single : A 46 GLN : amide:sc= 0.865 K(o=0.86,f=-0.008) USER MOD Single : A 48 TYR OH : rot -18:sc= 0.979 USER MOD Single : A 49 TYR OH : rot 110:sc= 0.175 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.256 X(o=-0.26,f=-0.71) USER MOD Single : A 62 ASN : amide:sc= 1.14 K(o=1.1,f=-5.9!) USER MOD Single : A 64 TYR OH : rot 50:sc= 0.38 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -57:sc= -0.27 USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 4 -6.129 14.996 8.873 1.00 0.00 N ATOM 38 CA ARG A 4 -5.812 13.612 9.207 1.00 0.00 C ATOM 39 C ARG A 4 -5.824 12.736 7.957 1.00 0.00 C ATOM 40 O ARG A 4 -6.070 11.532 8.033 1.00 0.00 O ATOM 41 CB ARG A 4 -6.727 13.057 10.288 1.00 0.00 C ATOM 42 CG ARG A 4 -6.689 13.812 11.608 1.00 0.00 C ATOM 43 CD ARG A 4 -7.655 13.320 12.623 1.00 0.00 C ATOM 44 NE ARG A 4 -7.739 14.140 13.821 1.00 0.00 N ATOM 45 CZ ARG A 4 -8.571 13.901 14.854 1.00 0.00 C ATOM 46 NH1 ARG A 4 -9.416 12.895 14.825 1.00 0.00 N ATOM 47 NH2 ARG A 4 -8.531 14.721 15.889 1.00 0.00 N ATOM 0 HA ARG A 4 -4.803 13.600 9.619 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -7.751 13.060 9.914 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -6.458 12.017 10.473 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.682 13.748 12.021 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -6.888 14.866 11.416 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -8.644 13.262 12.167 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -7.376 12.306 12.910 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.126 14.953 13.884 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.449 12.280 14.012 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.038 12.729 15.616 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.883 15.509 15.891 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.148 14.567 16.686 1.00 0.00 H new ATOM 61 N LYS A 5 -5.560 13.348 6.809 1.00 0.00 N ATOM 62 CA LYS A 5 -5.417 12.607 5.561 1.00 0.00 C ATOM 63 C LYS A 5 -3.953 12.520 5.143 1.00 0.00 C ATOM 64 O LYS A 5 -3.180 13.454 5.357 1.00 0.00 O ATOM 65 CB LYS A 5 -6.246 13.259 4.452 1.00 0.00 C ATOM 66 CG LYS A 5 -7.735 13.353 4.752 1.00 0.00 C ATOM 67 CD LYS A 5 -8.375 11.974 4.819 1.00 0.00 C ATOM 68 CE LYS A 5 -9.887 12.069 4.953 1.00 0.00 C ATOM 69 NZ LYS A 5 -10.519 10.730 5.100 1.00 0.00 N ATOM 0 H LYS A 5 -5.440 14.357 6.716 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.787 11.595 5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.861 14.262 4.269 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.108 12.692 3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.885 13.872 5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -8.226 13.947 3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.123 11.410 3.921 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.967 11.423 5.666 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.136 12.684 5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.298 12.570 4.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -11.553 10.836 5.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.261 10.133 4.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.185 10.283 5.978 1.00 0.00 H new ATOM 83 N ILE A 6 -3.579 11.394 4.545 1.00 0.00 N ATOM 84 CA ILE A 6 -2.227 11.213 4.032 1.00 0.00 C ATOM 85 C ILE A 6 -2.245 10.579 2.646 1.00 0.00 C ATOM 86 O ILE A 6 -3.147 9.809 2.315 1.00 0.00 O ATOM 87 CB ILE A 6 -1.377 10.344 4.976 1.00 0.00 C ATOM 88 CG1 ILE A 6 -2.040 8.980 5.187 1.00 0.00 C ATOM 89 CG2 ILE A 6 -1.168 11.050 6.306 1.00 0.00 C ATOM 90 CD1 ILE A 6 -1.201 8.010 5.988 1.00 0.00 C ATOM 0 H ILE A 6 -4.194 10.593 4.404 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.779 12.204 3.967 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.401 10.185 4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -2.994 9.125 5.694 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.259 8.539 4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.565 10.421 6.961 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.655 11.997 6.139 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.134 11.239 6.773 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.737 7.067 6.095 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.257 7.834 5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.003 8.429 6.975 1.00 0.00 H new ATOM 102 N HIS A 7 -1.240 10.906 1.838 1.00 0.00 N ATOM 103 CA HIS A 7 -1.092 10.299 0.520 1.00 0.00 C ATOM 104 C HIS A 7 -0.031 9.204 0.543 1.00 0.00 C ATOM 105 O HIS A 7 0.945 9.284 1.290 1.00 0.00 O ATOM 106 CB HIS A 7 -0.732 11.359 -0.527 1.00 0.00 C ATOM 107 CG HIS A 7 -1.836 12.331 -0.805 1.00 0.00 C ATOM 108 ND1 HIS A 7 -2.107 13.403 0.019 1.00 0.00 N ATOM 109 CD2 HIS A 7 -2.738 12.391 -1.812 1.00 0.00 C ATOM 110 CE1 HIS A 7 -3.129 14.082 -0.472 1.00 0.00 C ATOM 111 NE2 HIS A 7 -3.529 13.489 -1.582 1.00 0.00 N ATOM 0 H HIS A 7 -0.518 11.587 2.073 1.00 0.00 H new ATOM 0 HA HIS A 7 -2.047 9.850 0.249 1.00 0.00 H new ATOM 0 HB2 HIS A 7 0.146 11.908 -0.188 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -0.457 10.860 -1.456 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -2.820 11.704 -2.641 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -3.563 14.971 -0.039 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -4.301 13.797 -2.173 1.00 0.00 H new ATOM 118 N VAL A 8 -0.229 8.178 -0.280 1.00 0.00 N ATOM 119 CA VAL A 8 0.742 7.098 -0.403 1.00 0.00 C ATOM 120 C VAL A 8 1.196 6.930 -1.848 1.00 0.00 C ATOM 121 O VAL A 8 0.376 6.823 -2.761 1.00 0.00 O ATOM 122 CB VAL A 8 0.170 5.761 0.104 1.00 0.00 C ATOM 123 CG1 VAL A 8 1.200 4.650 -0.044 1.00 0.00 C ATOM 124 CG2 VAL A 8 -0.271 5.887 1.555 1.00 0.00 C ATOM 0 H VAL A 8 -1.054 8.073 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 8 1.597 7.372 0.215 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.700 5.507 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.779 3.713 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.472 4.543 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.088 4.898 0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.673 4.933 1.897 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.584 6.163 2.172 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.040 6.655 1.636 1.00 0.00 H new ATOM 134 N THR A 9 2.510 6.906 -2.053 1.00 0.00 N ATOM 135 CA THR A 9 3.075 6.682 -3.377 1.00 0.00 C ATOM 136 C THR A 9 3.266 5.194 -3.648 1.00 0.00 C ATOM 137 O THR A 9 4.019 4.517 -2.947 1.00 0.00 O ATOM 138 CB THR A 9 4.424 7.404 -3.545 1.00 0.00 C ATOM 139 OG1 THR A 9 4.236 8.816 -3.389 1.00 0.00 O ATOM 140 CG2 THR A 9 5.011 7.123 -4.920 1.00 0.00 C ATOM 0 H THR A 9 3.203 7.039 -1.317 1.00 0.00 H new ATOM 0 HA THR A 9 2.365 7.091 -4.096 1.00 0.00 H new ATOM 0 HB THR A 9 5.113 7.036 -2.785 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.096 9.274 -3.494 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.965 7.641 -5.021 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.167 6.051 -5.037 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.323 7.476 -5.688 1.00 0.00 H new ATOM 148 N VAL A 10 2.582 4.689 -4.670 1.00 0.00 N ATOM 149 CA VAL A 10 2.584 3.262 -4.961 1.00 0.00 C ATOM 150 C VAL A 10 3.522 2.936 -6.117 1.00 0.00 C ATOM 151 O VAL A 10 3.290 3.350 -7.254 1.00 0.00 O ATOM 152 CB VAL A 10 1.170 2.753 -5.299 1.00 0.00 C ATOM 153 CG1 VAL A 10 1.174 1.240 -5.462 1.00 0.00 C ATOM 154 CG2 VAL A 10 0.181 3.168 -4.220 1.00 0.00 C ATOM 0 H VAL A 10 2.019 5.249 -5.310 1.00 0.00 H new ATOM 0 HA VAL A 10 2.936 2.758 -4.061 1.00 0.00 H new ATOM 0 HB VAL A 10 0.859 3.202 -6.242 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.167 0.897 -5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.852 0.963 -6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.505 0.775 -4.534 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.812 2.800 -4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.489 2.747 -3.263 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.157 4.255 -4.147 1.00 0.00 H new ATOM 164 N LYS A 11 4.581 2.192 -5.821 1.00 0.00 N ATOM 165 CA LYS A 11 5.617 1.908 -6.807 1.00 0.00 C ATOM 166 C LYS A 11 5.563 0.449 -7.250 1.00 0.00 C ATOM 167 O LYS A 11 5.842 -0.460 -6.469 1.00 0.00 O ATOM 168 CB LYS A 11 7.001 2.236 -6.244 1.00 0.00 C ATOM 169 CG LYS A 11 7.210 3.707 -5.909 1.00 0.00 C ATOM 170 CD LYS A 11 8.622 3.963 -5.401 1.00 0.00 C ATOM 171 CE LYS A 11 8.802 5.413 -4.975 1.00 0.00 C ATOM 172 NZ LYS A 11 10.201 5.700 -4.557 1.00 0.00 N ATOM 0 H LYS A 11 4.745 1.774 -4.905 1.00 0.00 H new ATOM 0 HA LYS A 11 5.434 2.539 -7.677 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.163 1.644 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.756 1.930 -6.968 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.024 4.314 -6.795 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.488 4.016 -5.154 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.832 3.305 -4.558 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.342 3.719 -6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.528 6.070 -5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.124 5.636 -4.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.226 6.586 -4.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.554 4.920 -3.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.803 5.794 -5.400 1.00 0.00 H new ATOM 186 N PHE A 12 5.202 0.232 -8.511 1.00 0.00 N ATOM 187 CA PHE A 12 5.465 -1.041 -9.173 1.00 0.00 C ATOM 188 C PHE A 12 6.773 -0.987 -9.956 1.00 0.00 C ATOM 189 O PHE A 12 7.337 0.080 -10.197 1.00 0.00 O ATOM 190 CB PHE A 12 4.309 -1.399 -10.111 1.00 0.00 C ATOM 191 CG PHE A 12 3.080 -1.878 -9.393 1.00 0.00 C ATOM 192 CD1 PHE A 12 2.226 -0.975 -8.778 1.00 0.00 C ATOM 193 CD2 PHE A 12 2.777 -3.228 -9.335 1.00 0.00 C ATOM 194 CE1 PHE A 12 1.096 -1.413 -8.116 1.00 0.00 C ATOM 195 CE2 PHE A 12 1.646 -3.671 -8.676 1.00 0.00 C ATOM 196 CZ PHE A 12 0.804 -2.763 -8.065 1.00 0.00 C ATOM 0 H PHE A 12 4.727 0.921 -9.094 1.00 0.00 H new ATOM 0 HA PHE A 12 5.554 -1.810 -8.406 1.00 0.00 H new ATOM 0 HB2 PHE A 12 4.053 -0.524 -10.709 1.00 0.00 H new ATOM 0 HB3 PHE A 12 4.640 -2.173 -10.804 1.00 0.00 H new ATOM 0 HD1 PHE A 12 2.447 0.081 -8.817 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.432 -3.943 -9.810 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.440 -0.700 -7.638 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.421 -4.727 -8.639 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.080 -3.107 -7.549 1.00 0.00 H new ATOM 206 N PRO A 13 7.267 -2.165 -10.361 1.00 0.00 N ATOM 207 CA PRO A 13 8.544 -2.285 -11.074 1.00 0.00 C ATOM 208 C PRO A 13 8.529 -1.556 -12.413 1.00 0.00 C ATOM 209 O PRO A 13 9.568 -1.107 -12.897 1.00 0.00 O ATOM 210 CB PRO A 13 8.728 -3.796 -11.251 1.00 0.00 C ATOM 211 CG PRO A 13 7.358 -4.360 -11.078 1.00 0.00 C ATOM 212 CD PRO A 13 6.694 -3.484 -10.050 1.00 0.00 C ATOM 0 HA PRO A 13 9.365 -1.824 -10.525 1.00 0.00 H new ATOM 0 HB2 PRO A 13 9.134 -4.034 -12.234 1.00 0.00 H new ATOM 0 HB3 PRO A 13 9.420 -4.201 -10.513 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.807 -4.350 -12.018 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.399 -5.397 -10.744 1.00 0.00 H new ATOM 0 HD2 PRO A 13 5.608 -3.491 -10.147 1.00 0.00 H new ATOM 0 HD3 PRO A 13 6.925 -3.800 -9.033 1.00 0.00 H new ATOM 220 N SER A 14 7.346 -1.443 -13.008 1.00 0.00 N ATOM 221 CA SER A 14 7.210 -0.846 -14.330 1.00 0.00 C ATOM 222 C SER A 14 6.064 0.162 -14.355 1.00 0.00 C ATOM 223 O SER A 14 5.633 0.604 -15.420 1.00 0.00 O ATOM 224 CB SER A 14 6.989 -1.925 -15.373 1.00 0.00 C ATOM 225 OG SER A 14 5.836 -2.677 -15.117 1.00 0.00 O ATOM 0 H SER A 14 6.468 -1.757 -12.595 1.00 0.00 H new ATOM 0 HA SER A 14 8.133 -0.316 -14.564 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.910 -1.465 -16.358 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.855 -2.587 -15.398 1.00 0.00 H new ATOM 0 HG SER A 14 5.729 -3.359 -15.812 1.00 0.00 H new ATOM 231 N LYS A 15 5.575 0.523 -13.174 1.00 0.00 N ATOM 232 CA LYS A 15 4.463 1.459 -13.057 1.00 0.00 C ATOM 233 C LYS A 15 4.498 2.180 -11.714 1.00 0.00 C ATOM 234 O LYS A 15 4.957 1.628 -10.714 1.00 0.00 O ATOM 235 CB LYS A 15 3.128 0.732 -13.232 1.00 0.00 C ATOM 236 CG LYS A 15 1.907 1.639 -13.183 1.00 0.00 C ATOM 237 CD LYS A 15 0.621 0.844 -13.351 1.00 0.00 C ATOM 238 CE LYS A 15 -0.599 1.755 -13.350 1.00 0.00 C ATOM 239 NZ LYS A 15 -1.869 0.985 -13.420 1.00 0.00 N ATOM 0 H LYS A 15 5.932 0.181 -12.282 1.00 0.00 H new ATOM 0 HA LYS A 15 4.563 2.202 -13.848 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.137 0.206 -14.187 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.035 -0.024 -12.453 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.886 2.173 -12.233 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.978 2.391 -13.969 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.657 0.283 -14.285 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.534 0.116 -12.545 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.595 2.366 -12.447 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.542 2.438 -14.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.670 1.643 -13.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.849 0.358 -14.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.977 0.415 -12.557 1.00 0.00 H new ATOM 253 N GLN A 16 4.008 3.416 -11.700 1.00 0.00 N ATOM 254 CA GLN A 16 3.860 4.163 -10.455 1.00 0.00 C ATOM 255 C GLN A 16 2.552 4.947 -10.444 1.00 0.00 C ATOM 256 O GLN A 16 2.097 5.430 -11.481 1.00 0.00 O ATOM 257 CB GLN A 16 5.040 5.120 -10.258 1.00 0.00 C ATOM 258 CG GLN A 16 6.365 4.427 -9.993 1.00 0.00 C ATOM 259 CD GLN A 16 7.487 5.410 -9.718 1.00 0.00 C ATOM 260 OE1 GLN A 16 7.266 6.623 -9.649 1.00 0.00 O ATOM 261 NE2 GLN A 16 8.701 4.895 -9.563 1.00 0.00 N ATOM 0 H GLN A 16 3.707 3.920 -12.534 1.00 0.00 H new ATOM 0 HA GLN A 16 3.844 3.446 -9.634 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.140 5.744 -11.146 1.00 0.00 H new ATOM 0 HB3 GLN A 16 4.818 5.786 -9.424 1.00 0.00 H new ATOM 0 HG2 GLN A 16 6.257 3.756 -9.141 1.00 0.00 H new ATOM 0 HG3 GLN A 16 6.628 3.811 -10.853 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.839 3.886 -9.628 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.495 5.508 -9.379 1.00 0.00 H new ATOM 270 N PHE A 17 1.951 5.069 -9.265 1.00 0.00 N ATOM 271 CA PHE A 17 0.788 5.931 -9.085 1.00 0.00 C ATOM 272 C PHE A 17 0.575 6.254 -7.609 1.00 0.00 C ATOM 273 O PHE A 17 1.107 5.577 -6.730 1.00 0.00 O ATOM 274 CB PHE A 17 -0.463 5.271 -9.668 1.00 0.00 C ATOM 275 CG PHE A 17 -0.831 3.975 -9.001 1.00 0.00 C ATOM 276 CD1 PHE A 17 -1.679 3.960 -7.903 1.00 0.00 C ATOM 277 CD2 PHE A 17 -0.331 2.771 -9.471 1.00 0.00 C ATOM 278 CE1 PHE A 17 -2.019 2.769 -7.290 1.00 0.00 C ATOM 279 CE2 PHE A 17 -0.669 1.578 -8.860 1.00 0.00 C ATOM 280 CZ PHE A 17 -1.515 1.578 -7.768 1.00 0.00 C ATOM 0 H PHE A 17 2.250 4.582 -8.420 1.00 0.00 H new ATOM 0 HA PHE A 17 0.972 6.864 -9.618 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.301 5.963 -9.583 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.305 5.090 -10.731 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.078 4.889 -7.523 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.331 2.765 -10.325 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.680 2.771 -6.436 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.272 0.647 -9.236 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.781 0.647 -7.290 1.00 0.00 H new ATOM 290 N THR A 18 -0.207 7.297 -7.346 1.00 0.00 N ATOM 291 CA THR A 18 -0.434 7.757 -5.982 1.00 0.00 C ATOM 292 C THR A 18 -1.879 7.526 -5.555 1.00 0.00 C ATOM 293 O THR A 18 -2.791 7.546 -6.383 1.00 0.00 O ATOM 294 CB THR A 18 -0.095 9.251 -5.826 1.00 0.00 C ATOM 295 OG1 THR A 18 -0.917 10.024 -6.709 1.00 0.00 O ATOM 296 CG2 THR A 18 1.369 9.504 -6.150 1.00 0.00 C ATOM 0 H THR A 18 -0.694 7.839 -8.060 1.00 0.00 H new ATOM 0 HA THR A 18 0.228 7.175 -5.340 1.00 0.00 H new ATOM 0 HB THR A 18 -0.282 9.544 -4.793 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.702 10.975 -6.608 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.589 10.565 -6.034 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.997 8.927 -5.471 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.572 9.202 -7.177 1.00 0.00 H new ATOM 304 N VAL A 19 -2.082 7.305 -4.260 1.00 0.00 N ATOM 305 CA VAL A 19 -3.423 7.137 -3.715 1.00 0.00 C ATOM 306 C VAL A 19 -3.629 8.014 -2.484 1.00 0.00 C ATOM 307 O VAL A 19 -2.668 8.424 -1.835 1.00 0.00 O ATOM 308 CB VAL A 19 -3.702 5.669 -3.342 1.00 0.00 C ATOM 309 CG1 VAL A 19 -3.643 4.786 -4.579 1.00 0.00 C ATOM 310 CG2 VAL A 19 -2.709 5.187 -2.296 1.00 0.00 C ATOM 0 H VAL A 19 -1.335 7.238 -3.569 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.121 7.441 -4.495 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.705 5.605 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.842 3.752 -4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.392 5.117 -5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.652 4.855 -5.028 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.921 4.148 -2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.697 5.265 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.797 5.802 -1.400 1.00 0.00 H new ATOM 320 N GLU A 20 -4.889 8.295 -2.170 1.00 0.00 N ATOM 321 CA GLU A 20 -5.222 9.118 -1.012 1.00 0.00 C ATOM 322 C GLU A 20 -5.944 8.295 0.050 1.00 0.00 C ATOM 323 O GLU A 20 -6.974 7.676 -0.220 1.00 0.00 O ATOM 324 CB GLU A 20 -6.083 10.312 -1.431 1.00 0.00 C ATOM 325 CG GLU A 20 -6.456 11.248 -0.291 1.00 0.00 C ATOM 326 CD GLU A 20 -7.312 12.385 -0.776 1.00 0.00 C ATOM 327 OE1 GLU A 20 -7.616 12.419 -1.944 1.00 0.00 O ATOM 328 OE2 GLU A 20 -7.757 13.159 0.040 1.00 0.00 O ATOM 0 H GLU A 20 -5.696 7.966 -2.700 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.291 9.491 -0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.549 10.881 -2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.997 9.941 -1.894 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.989 10.691 0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -5.550 11.643 0.170 1.00 0.00 H new ATOM 335 N VAL A 21 -5.397 8.293 1.262 1.00 0.00 N ATOM 336 CA VAL A 21 -5.934 7.474 2.342 1.00 0.00 C ATOM 337 C VAL A 21 -6.017 8.266 3.643 1.00 0.00 C ATOM 338 O VAL A 21 -5.477 9.369 3.746 1.00 0.00 O ATOM 339 CB VAL A 21 -5.080 6.213 2.574 1.00 0.00 C ATOM 340 CG1 VAL A 21 -5.089 5.330 1.336 1.00 0.00 C ATOM 341 CG2 VAL A 21 -3.655 6.595 2.944 1.00 0.00 C ATOM 0 H VAL A 21 -4.582 8.850 1.520 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.936 7.171 2.039 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.512 5.652 3.402 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.481 4.444 1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.112 5.029 1.112 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.680 5.884 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.066 5.692 3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.213 7.178 2.136 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.663 7.190 3.858 1.00 0.00 H new ATOM 351 N ASP A 22 -6.697 7.698 4.631 1.00 0.00 N ATOM 352 CA ASP A 22 -6.815 8.330 5.941 1.00 0.00 C ATOM 353 C ASP A 22 -5.676 7.896 6.858 1.00 0.00 C ATOM 354 O ASP A 22 -5.227 6.751 6.807 1.00 0.00 O ATOM 355 CB ASP A 22 -8.165 7.997 6.580 1.00 0.00 C ATOM 356 CG ASP A 22 -8.550 8.899 7.744 1.00 0.00 C ATOM 357 OD1 ASP A 22 -7.849 8.899 8.728 1.00 0.00 O ATOM 358 OD2 ASP A 22 -9.445 9.693 7.582 1.00 0.00 O ATOM 0 H ASP A 22 -7.176 6.801 4.551 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.752 9.409 5.801 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.940 8.060 5.816 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.143 6.964 6.928 1.00 0.00 H new ATOM 363 N ARG A 23 -5.214 8.819 7.696 1.00 0.00 N ATOM 364 CA ARG A 23 -4.091 8.548 8.586 1.00 0.00 C ATOM 365 C ARG A 23 -4.457 7.482 9.615 1.00 0.00 C ATOM 366 O ARG A 23 -3.611 6.693 10.036 1.00 0.00 O ATOM 367 CB ARG A 23 -3.567 9.812 9.251 1.00 0.00 C ATOM 368 CG ARG A 23 -2.368 9.605 10.164 1.00 0.00 C ATOM 369 CD ARG A 23 -1.787 10.859 10.707 1.00 0.00 C ATOM 370 NE ARG A 23 -0.775 10.661 11.731 1.00 0.00 N ATOM 371 CZ ARG A 23 -0.148 11.655 12.389 1.00 0.00 C ATOM 372 NH1 ARG A 23 -0.395 12.916 12.109 1.00 0.00 N ATOM 373 NH2 ARG A 23 0.743 11.329 13.310 1.00 0.00 N ATOM 0 H ARG A 23 -5.600 9.760 7.777 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.278 8.159 7.974 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.295 10.528 8.475 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.373 10.261 9.831 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -2.666 8.967 10.996 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.595 9.070 9.613 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.349 11.427 9.886 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.591 11.467 11.122 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.522 9.702 11.968 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.071 13.154 11.383 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.089 13.656 12.618 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.939 10.347 13.505 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.234 12.059 13.825 1.00 0.00 H new ATOM 387 N THR A 24 -5.725 7.467 10.018 1.00 0.00 N ATOM 388 CA THR A 24 -6.170 6.602 11.103 1.00 0.00 C ATOM 389 C THR A 24 -6.625 5.247 10.575 1.00 0.00 C ATOM 390 O THR A 24 -6.943 4.344 11.349 1.00 0.00 O ATOM 391 CB THR A 24 -7.321 7.243 11.902 1.00 0.00 C ATOM 392 OG1 THR A 24 -8.467 7.397 11.054 1.00 0.00 O ATOM 393 CG2 THR A 24 -6.905 8.605 12.436 1.00 0.00 C ATOM 0 H THR A 24 -6.460 8.044 9.609 1.00 0.00 H new ATOM 0 HA THR A 24 -5.315 6.463 11.764 1.00 0.00 H new ATOM 0 HB THR A 24 -7.566 6.593 12.742 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.247 7.999 10.313 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.730 9.043 12.998 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.041 8.491 13.090 1.00 0.00 H new ATOM 0 HG23 THR A 24 -6.646 9.259 11.603 1.00 0.00 H new ATOM 401 N GLU A 25 -6.654 5.110 9.253 1.00 0.00 N ATOM 402 CA GLU A 25 -7.058 3.859 8.624 1.00 0.00 C ATOM 403 C GLU A 25 -5.908 2.857 8.614 1.00 0.00 C ATOM 404 O GLU A 25 -4.740 3.233 8.723 1.00 0.00 O ATOM 405 CB GLU A 25 -7.551 4.112 7.197 1.00 0.00 C ATOM 406 CG GLU A 25 -8.974 4.647 7.109 1.00 0.00 C ATOM 407 CD GLU A 25 -9.980 3.578 7.435 1.00 0.00 C ATOM 408 OE1 GLU A 25 -9.606 2.431 7.483 1.00 0.00 O ATOM 409 OE2 GLU A 25 -11.097 3.918 7.748 1.00 0.00 O ATOM 0 H GLU A 25 -6.403 5.850 8.598 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.875 3.436 9.208 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.879 4.821 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.490 3.181 6.634 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -9.093 5.484 7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -9.159 5.030 6.106 1.00 0.00 H new ATOM 416 N THR A 26 -6.247 1.578 8.487 1.00 0.00 N ATOM 417 CA THR A 26 -5.244 0.521 8.451 1.00 0.00 C ATOM 418 C THR A 26 -4.766 0.263 7.027 1.00 0.00 C ATOM 419 O THR A 26 -5.343 0.771 6.067 1.00 0.00 O ATOM 420 CB THR A 26 -5.784 -0.792 9.048 1.00 0.00 C ATOM 421 OG1 THR A 26 -6.906 -1.243 8.278 1.00 0.00 O ATOM 422 CG2 THR A 26 -6.215 -0.584 10.492 1.00 0.00 C ATOM 0 H THR A 26 -7.209 1.249 8.407 1.00 0.00 H new ATOM 0 HA THR A 26 -4.404 0.864 9.055 1.00 0.00 H new ATOM 0 HB THR A 26 -4.991 -1.540 9.021 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.317 -2.015 8.720 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.594 -1.522 10.897 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.361 -0.252 11.082 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.000 0.172 10.532 1.00 0.00 H new ATOM 430 N VAL A 27 -3.708 -0.533 6.898 1.00 0.00 N ATOM 431 CA VAL A 27 -3.116 -0.810 5.595 1.00 0.00 C ATOM 432 C VAL A 27 -4.078 -1.595 4.710 1.00 0.00 C ATOM 433 O VAL A 27 -3.958 -1.586 3.485 1.00 0.00 O ATOM 434 CB VAL A 27 -1.798 -1.596 5.730 1.00 0.00 C ATOM 435 CG1 VAL A 27 -0.780 -0.795 6.528 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.046 -2.945 6.387 1.00 0.00 C ATOM 0 H VAL A 27 -3.244 -0.996 7.679 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.906 0.154 5.132 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.396 -1.768 4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.145 -1.365 6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.579 0.148 6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.175 -0.593 7.524 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.104 -3.486 6.474 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.471 -2.794 7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.742 -3.523 5.779 1.00 0.00 H new ATOM 446 N SER A 28 -5.033 -2.274 5.339 1.00 0.00 N ATOM 447 CA SER A 28 -6.008 -3.076 4.609 1.00 0.00 C ATOM 448 C SER A 28 -6.895 -2.192 3.738 1.00 0.00 C ATOM 449 O SER A 28 -7.372 -2.618 2.685 1.00 0.00 O ATOM 450 CB SER A 28 -6.851 -3.884 5.576 1.00 0.00 C ATOM 451 OG SER A 28 -7.726 -3.076 6.315 1.00 0.00 O ATOM 0 H SER A 28 -5.152 -2.284 6.352 1.00 0.00 H new ATOM 0 HA SER A 28 -5.469 -3.762 3.956 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.425 -4.627 5.022 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.198 -4.429 6.258 1.00 0.00 H new ATOM 0 HG SER A 28 -7.209 -2.444 6.856 1.00 0.00 H new ATOM 457 N SER A 29 -7.110 -0.959 4.182 1.00 0.00 N ATOM 458 CA SER A 29 -7.805 0.036 3.372 1.00 0.00 C ATOM 459 C SER A 29 -6.920 0.514 2.224 1.00 0.00 C ATOM 460 O SER A 29 -7.398 0.748 1.112 1.00 0.00 O ATOM 461 CB SER A 29 -8.235 1.206 4.234 1.00 0.00 C ATOM 462 OG SER A 29 -9.207 0.838 5.173 1.00 0.00 O ATOM 0 H SER A 29 -6.813 -0.624 5.098 1.00 0.00 H new ATOM 0 HA SER A 29 -8.694 -0.428 2.944 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.367 1.613 4.752 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.628 2.000 3.598 1.00 0.00 H new ATOM 0 HG SER A 29 -9.216 1.488 5.906 1.00 0.00 H new ATOM 468 N LEU A 30 -5.628 0.658 2.500 1.00 0.00 N ATOM 469 CA LEU A 30 -4.671 1.081 1.484 1.00 0.00 C ATOM 470 C LEU A 30 -4.593 0.063 0.352 1.00 0.00 C ATOM 471 O LEU A 30 -4.651 0.421 -0.824 1.00 0.00 O ATOM 472 CB LEU A 30 -3.288 1.292 2.112 1.00 0.00 C ATOM 473 CG LEU A 30 -2.158 1.587 1.118 1.00 0.00 C ATOM 474 CD1 LEU A 30 -2.447 2.879 0.367 1.00 0.00 C ATOM 475 CD2 LEU A 30 -0.835 1.682 1.864 1.00 0.00 C ATOM 0 H LEU A 30 -5.219 0.488 3.419 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.013 2.027 1.065 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.351 2.117 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.026 0.401 2.682 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.093 0.777 0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.639 3.080 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.386 2.781 -0.178 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.523 3.703 1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.033 1.892 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.889 2.484 2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.634 0.738 2.371 1.00 0.00 H new ATOM 487 N LYS A 31 -4.464 -1.208 0.715 1.00 0.00 N ATOM 488 CA LYS A 31 -4.268 -2.268 -0.267 1.00 0.00 C ATOM 489 C LYS A 31 -5.529 -2.477 -1.100 1.00 0.00 C ATOM 490 O LYS A 31 -5.455 -2.821 -2.279 1.00 0.00 O ATOM 491 CB LYS A 31 -3.867 -3.573 0.422 1.00 0.00 C ATOM 492 CG LYS A 31 -5.008 -4.280 1.142 1.00 0.00 C ATOM 493 CD LYS A 31 -4.512 -5.508 1.891 1.00 0.00 C ATOM 494 CE LYS A 31 -5.664 -6.267 2.534 1.00 0.00 C ATOM 495 NZ LYS A 31 -5.188 -7.434 3.325 1.00 0.00 N ATOM 0 H LYS A 31 -4.492 -1.530 1.683 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.461 -1.964 -0.934 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.449 -4.250 -0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -3.075 -3.362 1.141 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.482 -3.591 1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.769 -4.575 0.420 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.980 -6.165 1.204 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.800 -5.205 2.659 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.225 -5.594 3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.350 -6.609 1.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.005 -7.991 3.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.575 -8.029 2.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.651 -7.098 4.150 1.00 0.00 H new ATOM 509 N ASP A 32 -6.685 -2.268 -0.479 1.00 0.00 N ATOM 510 CA ASP A 32 -7.958 -2.356 -1.183 1.00 0.00 C ATOM 511 C ASP A 32 -8.027 -1.332 -2.313 1.00 0.00 C ATOM 512 O ASP A 32 -8.441 -1.649 -3.428 1.00 0.00 O ATOM 513 CB ASP A 32 -9.125 -2.153 -0.213 1.00 0.00 C ATOM 514 CG ASP A 32 -9.416 -3.351 0.681 1.00 0.00 C ATOM 515 OD1 ASP A 32 -8.873 -4.401 0.429 1.00 0.00 O ATOM 516 OD2 ASP A 32 -10.051 -3.171 1.693 1.00 0.00 O ATOM 0 H ASP A 32 -6.766 -2.036 0.511 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.034 -3.353 -1.617 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.912 -1.289 0.416 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.021 -1.917 -0.787 1.00 0.00 H new ATOM 521 N LYS A 33 -7.620 -0.103 -2.015 1.00 0.00 N ATOM 522 CA LYS A 33 -7.633 0.967 -3.004 1.00 0.00 C ATOM 523 C LYS A 33 -6.622 0.696 -4.113 1.00 0.00 C ATOM 524 O LYS A 33 -6.884 0.971 -5.284 1.00 0.00 O ATOM 525 CB LYS A 33 -7.341 2.315 -2.342 1.00 0.00 C ATOM 526 CG LYS A 33 -8.477 2.852 -1.482 1.00 0.00 C ATOM 527 CD LYS A 33 -8.063 4.117 -0.744 1.00 0.00 C ATOM 528 CE LYS A 33 -9.227 4.712 0.034 1.00 0.00 C ATOM 529 NZ LYS A 33 -8.786 5.796 0.954 1.00 0.00 N ATOM 0 H LYS A 33 -7.277 0.176 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.628 1.003 -3.447 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.449 2.217 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.112 3.045 -3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.343 3.062 -2.110 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.782 2.092 -0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.245 3.890 -0.061 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.688 4.850 -1.458 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.966 5.107 -0.664 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.719 3.927 0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.619 6.298 1.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.251 5.384 1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.180 6.465 0.437 1.00 0.00 H new ATOM 543 N ILE A 34 -5.468 0.153 -3.737 1.00 0.00 N ATOM 544 CA ILE A 34 -4.485 -0.301 -4.712 1.00 0.00 C ATOM 545 C ILE A 34 -5.051 -1.418 -5.583 1.00 0.00 C ATOM 546 O ILE A 34 -4.798 -1.470 -6.787 1.00 0.00 O ATOM 547 CB ILE A 34 -3.198 -0.795 -4.029 1.00 0.00 C ATOM 548 CG1 ILE A 34 -2.477 0.368 -3.342 1.00 0.00 C ATOM 549 CG2 ILE A 34 -2.284 -1.471 -5.039 1.00 0.00 C ATOM 550 CD1 ILE A 34 -1.377 -0.065 -2.401 1.00 0.00 C ATOM 0 H ILE A 34 -5.192 0.017 -2.765 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.243 0.557 -5.339 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.469 -1.528 -3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.053 1.021 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.206 0.958 -2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.379 -1.814 -4.538 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.799 -2.324 -5.482 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.018 -0.761 -5.822 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.914 0.814 -1.953 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.797 -0.694 -1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.626 -0.629 -2.954 1.00 0.00 H new ATOM 562 N HIS A 35 -5.818 -2.310 -4.966 1.00 0.00 N ATOM 563 CA HIS A 35 -6.463 -3.397 -5.695 1.00 0.00 C ATOM 564 C HIS A 35 -7.506 -2.857 -6.667 1.00 0.00 C ATOM 565 O HIS A 35 -7.674 -3.384 -7.768 1.00 0.00 O ATOM 566 CB HIS A 35 -7.112 -4.391 -4.725 1.00 0.00 C ATOM 567 CG HIS A 35 -7.959 -5.424 -5.400 1.00 0.00 C ATOM 568 ND1 HIS A 35 -7.432 -6.393 -6.228 1.00 0.00 N ATOM 569 CD2 HIS A 35 -9.295 -5.640 -5.372 1.00 0.00 C ATOM 570 CE1 HIS A 35 -8.409 -7.161 -6.679 1.00 0.00 C ATOM 571 NE2 HIS A 35 -9.548 -6.724 -6.174 1.00 0.00 N ATOM 0 H HIS A 35 -6.008 -2.302 -3.964 1.00 0.00 H new ATOM 0 HA HIS A 35 -5.695 -3.918 -6.266 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.330 -4.892 -4.154 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -7.725 -3.841 -4.011 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -6.444 -6.500 -6.456 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -10.025 -5.066 -4.821 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -8.295 -8.002 -7.347 1.00 0.00 H new ATOM 578 N ILE A 36 -8.204 -1.804 -6.254 1.00 0.00 N ATOM 579 CA ILE A 36 -9.191 -1.158 -7.111 1.00 0.00 C ATOM 580 C ILE A 36 -8.529 -0.531 -8.333 1.00 0.00 C ATOM 581 O ILE A 36 -9.060 -0.598 -9.443 1.00 0.00 O ATOM 582 CB ILE A 36 -9.977 -0.076 -6.350 1.00 0.00 C ATOM 583 CG1 ILE A 36 -10.887 -0.717 -5.299 1.00 0.00 C ATOM 584 CG2 ILE A 36 -10.790 0.771 -7.317 1.00 0.00 C ATOM 585 CD1 ILE A 36 -11.472 0.269 -4.313 1.00 0.00 C ATOM 0 H ILE A 36 -8.104 -1.380 -5.332 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.885 -1.934 -7.436 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.266 0.574 -5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.701 -1.236 -5.805 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.320 -1.470 -4.752 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.340 1.531 -6.762 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.121 1.255 -8.029 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.493 0.135 -7.855 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.105 -0.261 -3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.666 0.771 -3.779 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.068 1.008 -4.848 1.00 0.00 H new ATOM 597 N VAL A 37 -7.367 0.078 -8.124 1.00 0.00 N ATOM 598 CA VAL A 37 -6.611 0.681 -9.215 1.00 0.00 C ATOM 599 C VAL A 37 -6.073 -0.383 -10.164 1.00 0.00 C ATOM 600 O VAL A 37 -6.080 -0.203 -11.381 1.00 0.00 O ATOM 601 CB VAL A 37 -5.435 1.523 -8.685 1.00 0.00 C ATOM 602 CG1 VAL A 37 -4.531 1.956 -9.830 1.00 0.00 C ATOM 603 CG2 VAL A 37 -5.947 2.730 -7.915 1.00 0.00 C ATOM 0 H VAL A 37 -6.928 0.167 -7.208 1.00 0.00 H new ATOM 0 HA VAL A 37 -7.299 1.331 -9.755 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.849 0.908 -8.002 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.706 2.550 -9.437 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.136 1.075 -10.335 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.103 2.554 -10.539 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.102 3.313 -7.548 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -6.557 3.349 -8.573 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.550 2.394 -7.071 1.00 0.00 H new ATOM 613 N GLU A 38 -5.610 -1.493 -9.599 1.00 0.00 N ATOM 614 CA GLU A 38 -5.042 -2.575 -10.394 1.00 0.00 C ATOM 615 C GLU A 38 -6.096 -3.636 -10.702 1.00 0.00 C ATOM 616 O GLU A 38 -7.264 -3.485 -10.347 1.00 0.00 O ATOM 617 CB GLU A 38 -3.852 -3.207 -9.669 1.00 0.00 C ATOM 618 CG GLU A 38 -2.675 -2.266 -9.452 1.00 0.00 C ATOM 619 CD GLU A 38 -2.105 -1.795 -10.760 1.00 0.00 C ATOM 620 OE1 GLU A 38 -1.740 -2.622 -11.560 1.00 0.00 O ATOM 621 OE2 GLU A 38 -2.138 -0.612 -11.008 1.00 0.00 O ATOM 0 H GLU A 38 -5.617 -1.667 -8.594 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.694 -2.153 -11.337 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.188 -3.578 -8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.511 -4.070 -10.241 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.997 -1.407 -8.863 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.901 -2.775 -8.878 1.00 0.00 H new ATOM 628 N ASN A 39 -5.672 -4.707 -11.364 1.00 0.00 N ATOM 629 CA ASN A 39 -6.557 -5.834 -11.637 1.00 0.00 C ATOM 630 C ASN A 39 -5.967 -7.133 -11.097 1.00 0.00 C ATOM 631 O ASN A 39 -6.237 -8.216 -11.617 1.00 0.00 O ATOM 632 CB ASN A 39 -6.850 -5.965 -13.120 1.00 0.00 C ATOM 633 CG ASN A 39 -7.622 -4.807 -13.689 1.00 0.00 C ATOM 634 OD1 ASN A 39 -8.822 -4.650 -13.436 1.00 0.00 O ATOM 635 ND2 ASN A 39 -6.961 -4.042 -14.521 1.00 0.00 N ATOM 0 H ASN A 39 -4.723 -4.819 -11.721 1.00 0.00 H new ATOM 0 HA ASN A 39 -7.499 -5.640 -11.124 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -5.908 -6.063 -13.660 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.412 -6.883 -13.290 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.436 -3.274 -14.995 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -5.971 -4.214 -14.695 1.00 0.00 H new ATOM 642 N THR A 40 -5.159 -7.018 -10.047 1.00 0.00 N ATOM 643 CA THR A 40 -4.497 -8.177 -9.461 1.00 0.00 C ATOM 644 C THR A 40 -5.003 -8.440 -8.047 1.00 0.00 C ATOM 645 O THR A 40 -5.050 -7.547 -7.203 1.00 0.00 O ATOM 646 CB THR A 40 -2.969 -7.997 -9.424 1.00 0.00 C ATOM 647 OG1 THR A 40 -2.472 -7.835 -10.758 1.00 0.00 O ATOM 648 CG2 THR A 40 -2.304 -9.205 -8.782 1.00 0.00 C ATOM 0 H THR A 40 -4.947 -6.133 -9.585 1.00 0.00 H new ATOM 0 HA THR A 40 -4.736 -9.031 -10.095 1.00 0.00 H new ATOM 0 HB THR A 40 -2.737 -7.111 -8.832 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.499 -7.719 -10.733 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.224 -9.059 -8.765 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.671 -9.323 -7.762 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.540 -10.100 -9.358 1.00 0.00 H new ATOM 656 N PRO A 41 -5.388 -9.697 -7.780 1.00 0.00 N ATOM 657 CA PRO A 41 -5.928 -10.100 -6.477 1.00 0.00 C ATOM 658 C PRO A 41 -5.006 -9.719 -5.324 1.00 0.00 C ATOM 659 O PRO A 41 -3.783 -9.814 -5.439 1.00 0.00 O ATOM 660 CB PRO A 41 -6.088 -11.619 -6.599 1.00 0.00 C ATOM 661 CG PRO A 41 -6.302 -11.854 -8.055 1.00 0.00 C ATOM 662 CD PRO A 41 -5.439 -10.839 -8.755 1.00 0.00 C ATOM 0 HA PRO A 41 -6.867 -9.595 -6.248 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.202 -12.142 -6.238 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.932 -11.978 -6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.020 -12.869 -8.335 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.351 -11.729 -8.323 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.445 -11.233 -8.965 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.869 -10.534 -9.709 1.00 0.00 H new ATOM 670 N ILE A 42 -5.599 -9.288 -4.216 1.00 0.00 N ATOM 671 CA ILE A 42 -4.830 -8.907 -3.038 1.00 0.00 C ATOM 672 C ILE A 42 -4.026 -10.088 -2.502 1.00 0.00 C ATOM 673 O ILE A 42 -2.919 -9.919 -1.990 1.00 0.00 O ATOM 674 CB ILE A 42 -5.741 -8.367 -1.920 1.00 0.00 C ATOM 675 CG1 ILE A 42 -6.339 -7.018 -2.324 1.00 0.00 C ATOM 676 CG2 ILE A 42 -4.966 -8.242 -0.618 1.00 0.00 C ATOM 677 CD1 ILE A 42 -7.443 -6.540 -1.409 1.00 0.00 C ATOM 0 H ILE A 42 -6.609 -9.194 -4.109 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.146 -8.117 -3.348 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.558 -9.072 -1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -5.546 -6.271 -2.342 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.729 -7.094 -3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.624 -7.859 0.162 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.587 -9.221 -0.325 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.130 -7.556 -0.756 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.816 -5.578 -1.761 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.256 -7.266 -1.409 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.055 -6.430 -0.396 1.00 0.00 H new ATOM 689 N LYS A 43 -4.590 -11.285 -2.624 1.00 0.00 N ATOM 690 CA LYS A 43 -3.935 -12.492 -2.134 1.00 0.00 C ATOM 691 C LYS A 43 -2.652 -12.769 -2.909 1.00 0.00 C ATOM 692 O LYS A 43 -1.754 -13.452 -2.417 1.00 0.00 O ATOM 693 CB LYS A 43 -4.880 -13.691 -2.230 1.00 0.00 C ATOM 694 CG LYS A 43 -6.061 -13.642 -1.269 1.00 0.00 C ATOM 695 CD LYS A 43 -6.962 -14.856 -1.436 1.00 0.00 C ATOM 696 CE LYS A 43 -8.127 -14.820 -0.459 1.00 0.00 C ATOM 697 NZ LYS A 43 -9.030 -15.990 -0.626 1.00 0.00 N ATOM 0 H LYS A 43 -5.499 -11.445 -3.058 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.675 -12.333 -1.087 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.260 -13.758 -3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.312 -14.602 -2.041 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.696 -13.596 -0.243 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.637 -12.733 -1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.342 -14.891 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.382 -15.766 -1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.744 -14.800 0.561 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.694 -13.901 -0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.810 -15.927 0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.416 -15.995 -1.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.496 -16.867 -0.462 1.00 0.00 H new ATOM 711 N ARG A 44 -2.572 -12.234 -4.123 1.00 0.00 N ATOM 712 CA ARG A 44 -1.393 -12.414 -4.962 1.00 0.00 C ATOM 713 C ARG A 44 -0.467 -11.207 -4.865 1.00 0.00 C ATOM 714 O ARG A 44 0.756 -11.347 -4.891 1.00 0.00 O ATOM 715 CB ARG A 44 -1.758 -12.727 -6.406 1.00 0.00 C ATOM 716 CG ARG A 44 -2.602 -13.977 -6.596 1.00 0.00 C ATOM 717 CD ARG A 44 -1.899 -15.246 -6.276 1.00 0.00 C ATOM 718 NE ARG A 44 -2.706 -16.442 -6.452 1.00 0.00 N ATOM 719 CZ ARG A 44 -2.285 -17.694 -6.184 1.00 0.00 C ATOM 720 NH1 ARG A 44 -1.059 -17.923 -5.768 1.00 0.00 N ATOM 721 NH2 ARG A 44 -3.132 -18.691 -6.377 1.00 0.00 N ATOM 0 H ARG A 44 -3.310 -11.672 -4.548 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.854 -13.282 -4.583 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.297 -11.876 -6.822 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.839 -12.835 -6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.490 -13.900 -5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.944 -14.016 -7.630 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.013 -15.325 -6.906 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.553 -15.205 -5.243 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.657 -16.326 -6.803 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -0.409 -17.147 -5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.758 -18.877 -5.570 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -4.074 -18.501 -6.719 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.843 -19.650 -6.183 1.00 0.00 H new ATOM 735 N MET A 45 -1.059 -10.022 -4.754 1.00 0.00 N ATOM 736 CA MET A 45 -0.285 -8.785 -4.701 1.00 0.00 C ATOM 737 C MET A 45 0.480 -8.678 -3.387 1.00 0.00 C ATOM 738 O MET A 45 -0.078 -8.904 -2.313 1.00 0.00 O ATOM 739 CB MET A 45 -1.204 -7.578 -4.880 1.00 0.00 C ATOM 740 CG MET A 45 -0.478 -6.245 -4.999 1.00 0.00 C ATOM 741 SD MET A 45 -1.608 -4.851 -5.175 1.00 0.00 S ATOM 742 CE MET A 45 -2.235 -5.129 -6.828 1.00 0.00 C ATOM 0 H MET A 45 -2.069 -9.891 -4.699 1.00 0.00 H new ATOM 0 HA MET A 45 0.439 -8.800 -5.516 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.811 -7.728 -5.773 1.00 0.00 H new ATOM 0 HB3 MET A 45 -1.889 -7.530 -4.034 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.144 -6.094 -4.116 1.00 0.00 H new ATOM 0 HG3 MET A 45 0.191 -6.276 -5.859 1.00 0.00 H new ATOM 0 HE1 MET A 45 -2.620 -4.193 -7.233 1.00 0.00 H new ATOM 0 HE2 MET A 45 -1.431 -5.497 -7.465 1.00 0.00 H new ATOM 0 HE3 MET A 45 -3.037 -5.867 -6.794 1.00 0.00 H new ATOM 752 N GLN A 46 1.760 -8.332 -3.479 1.00 0.00 N ATOM 753 CA GLN A 46 2.603 -8.198 -2.296 1.00 0.00 C ATOM 754 C GLN A 46 2.839 -6.731 -1.961 1.00 0.00 C ATOM 755 O GLN A 46 3.104 -5.915 -2.847 1.00 0.00 O ATOM 756 CB GLN A 46 3.944 -8.905 -2.509 1.00 0.00 C ATOM 757 CG GLN A 46 3.821 -10.344 -2.979 1.00 0.00 C ATOM 758 CD GLN A 46 3.131 -11.230 -1.960 1.00 0.00 C ATOM 759 OE1 GLN A 46 3.565 -11.330 -0.809 1.00 0.00 O ATOM 760 NE2 GLN A 46 2.053 -11.882 -2.378 1.00 0.00 N ATOM 0 H GLN A 46 2.236 -8.139 -4.360 1.00 0.00 H new ATOM 0 HA GLN A 46 2.084 -8.667 -1.460 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.526 -8.344 -3.241 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.504 -8.886 -1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.264 -10.371 -3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.814 -10.741 -3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.730 -11.769 -3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.548 -12.495 -1.738 1.00 0.00 H new ATOM 769 N LEU A 47 2.745 -6.399 -0.678 1.00 0.00 N ATOM 770 CA LEU A 47 2.773 -5.007 -0.243 1.00 0.00 C ATOM 771 C LEU A 47 3.927 -4.762 0.724 1.00 0.00 C ATOM 772 O LEU A 47 3.982 -5.352 1.803 1.00 0.00 O ATOM 773 CB LEU A 47 1.438 -4.627 0.410 1.00 0.00 C ATOM 774 CG LEU A 47 1.400 -3.237 1.057 1.00 0.00 C ATOM 775 CD1 LEU A 47 1.609 -2.162 -0.001 1.00 0.00 C ATOM 776 CD2 LEU A 47 0.069 -3.043 1.768 1.00 0.00 C ATOM 0 H LEU A 47 2.649 -7.075 0.080 1.00 0.00 H new ATOM 0 HA LEU A 47 2.926 -4.378 -1.120 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.654 -4.680 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.199 -5.371 1.170 1.00 0.00 H new ATOM 0 HG LEU A 47 2.203 -3.155 1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.580 -1.179 0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.577 -2.307 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.819 -2.230 -0.749 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.043 -2.055 2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.744 -3.130 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.046 -3.805 2.539 1.00 0.00 H new ATOM 788 N TYR A 48 4.847 -3.888 0.331 1.00 0.00 N ATOM 789 CA TYR A 48 5.956 -3.504 1.196 1.00 0.00 C ATOM 790 C TYR A 48 6.043 -1.986 1.327 1.00 0.00 C ATOM 791 O TYR A 48 5.793 -1.253 0.369 1.00 0.00 O ATOM 792 CB TYR A 48 7.274 -4.063 0.657 1.00 0.00 C ATOM 793 CG TYR A 48 8.495 -3.596 1.417 1.00 0.00 C ATOM 794 CD1 TYR A 48 8.793 -4.108 2.672 1.00 0.00 C ATOM 795 CD2 TYR A 48 9.349 -2.645 0.877 1.00 0.00 C ATOM 796 CE1 TYR A 48 9.906 -3.685 3.371 1.00 0.00 C ATOM 797 CE2 TYR A 48 10.465 -2.214 1.567 1.00 0.00 C ATOM 798 CZ TYR A 48 10.741 -2.736 2.814 1.00 0.00 C ATOM 799 OH TYR A 48 11.852 -2.311 3.505 1.00 0.00 O ATOM 0 H TYR A 48 4.847 -3.432 -0.581 1.00 0.00 H new ATOM 0 HA TYR A 48 5.774 -3.925 2.185 1.00 0.00 H new ATOM 0 HB2 TYR A 48 7.234 -5.152 0.687 1.00 0.00 H new ATOM 0 HB3 TYR A 48 7.378 -3.776 -0.389 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.143 -4.851 3.110 1.00 0.00 H new ATOM 0 HD2 TYR A 48 9.137 -2.235 -0.099 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.122 -4.094 4.347 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.119 -1.472 1.133 1.00 0.00 H new ATOM 0 HH TYR A 48 11.756 -2.542 4.453 1.00 0.00 H new ATOM 809 N TYR A 49 6.401 -1.520 2.518 1.00 0.00 N ATOM 810 CA TYR A 49 6.613 -0.098 2.752 1.00 0.00 C ATOM 811 C TYR A 49 8.073 0.185 3.096 1.00 0.00 C ATOM 812 O TYR A 49 8.689 -0.539 3.877 1.00 0.00 O ATOM 813 CB TYR A 49 5.700 0.404 3.874 1.00 0.00 C ATOM 814 CG TYR A 49 6.139 1.719 4.479 1.00 0.00 C ATOM 815 CD1 TYR A 49 6.105 2.892 3.738 1.00 0.00 C ATOM 816 CD2 TYR A 49 6.585 1.784 5.790 1.00 0.00 C ATOM 817 CE1 TYR A 49 6.504 4.096 4.285 1.00 0.00 C ATOM 818 CE2 TYR A 49 6.987 2.982 6.349 1.00 0.00 C ATOM 819 CZ TYR A 49 6.945 4.136 5.593 1.00 0.00 C ATOM 820 OH TYR A 49 7.343 5.332 6.145 1.00 0.00 O ATOM 0 H TYR A 49 6.551 -2.108 3.338 1.00 0.00 H new ATOM 0 HA TYR A 49 6.366 0.435 1.834 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.688 0.515 3.484 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.658 -0.350 4.660 1.00 0.00 H new ATOM 0 HD1 TYR A 49 5.760 2.863 2.715 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.619 0.883 6.384 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.471 4.999 3.694 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.332 3.015 7.372 1.00 0.00 H new ATOM 0 HH TYR A 49 6.685 5.619 6.812 1.00 0.00 H new ATOM 830 N SER A 50 8.619 1.243 2.507 1.00 0.00 N ATOM 831 CA SER A 50 9.975 1.681 2.824 1.00 0.00 C ATOM 832 C SER A 50 10.326 1.352 4.271 1.00 0.00 C ATOM 833 O SER A 50 9.886 2.031 5.198 1.00 0.00 O ATOM 834 CB SER A 50 10.118 3.169 2.566 1.00 0.00 C ATOM 835 OG SER A 50 11.412 3.628 2.843 1.00 0.00 O ATOM 0 H SER A 50 8.144 1.814 1.807 1.00 0.00 H new ATOM 0 HA SER A 50 10.671 1.146 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 50 9.873 3.382 1.525 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.401 3.714 3.180 1.00 0.00 H new ATOM 0 HG SER A 50 11.463 4.590 2.663 1.00 0.00 H new ATOM 841 N GLY A 51 11.125 0.307 4.457 1.00 0.00 N ATOM 842 CA GLY A 51 11.525 -0.094 5.793 1.00 0.00 C ATOM 843 C GLY A 51 10.692 -1.244 6.327 1.00 0.00 C ATOM 844 O GLY A 51 11.101 -2.402 6.251 1.00 0.00 O ATOM 0 H GLY A 51 11.503 -0.270 3.706 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.576 -0.384 5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 51 11.437 0.758 6.467 1.00 0.00 H new ATOM 848 N ILE A 52 9.524 -0.922 6.871 1.00 0.00 N ATOM 849 CA ILE A 52 8.674 -1.923 7.505 1.00 0.00 C ATOM 850 C ILE A 52 7.631 -2.457 6.527 1.00 0.00 C ATOM 851 O ILE A 52 6.947 -1.688 5.855 1.00 0.00 O ATOM 852 CB ILE A 52 7.962 -1.358 8.746 1.00 0.00 C ATOM 853 CG1 ILE A 52 8.986 -0.892 9.785 1.00 0.00 C ATOM 854 CG2 ILE A 52 7.027 -2.397 9.344 1.00 0.00 C ATOM 855 CD1 ILE A 52 8.384 -0.108 10.928 1.00 0.00 C ATOM 0 H ILE A 52 9.144 0.024 6.886 1.00 0.00 H new ATOM 0 HA ILE A 52 9.327 -2.739 7.816 1.00 0.00 H new ATOM 0 HB ILE A 52 7.367 -0.498 8.440 1.00 0.00 H new ATOM 0 HG12 ILE A 52 9.503 -1.763 10.187 1.00 0.00 H new ATOM 0 HG13 ILE A 52 9.737 -0.276 9.290 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.532 -1.979 10.221 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.278 -2.680 8.605 1.00 0.00 H new ATOM 0 HG23 ILE A 52 7.600 -3.277 9.635 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.171 0.187 11.622 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.891 0.783 10.538 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.654 -0.727 11.450 1.00 0.00 H new ATOM 867 N GLU A 53 7.517 -3.780 6.457 1.00 0.00 N ATOM 868 CA GLU A 53 6.535 -4.416 5.586 1.00 0.00 C ATOM 869 C GLU A 53 5.129 -4.284 6.163 1.00 0.00 C ATOM 870 O GLU A 53 4.914 -4.499 7.357 1.00 0.00 O ATOM 871 CB GLU A 53 6.883 -5.891 5.372 1.00 0.00 C ATOM 872 CG GLU A 53 5.960 -6.620 4.406 1.00 0.00 C ATOM 873 CD GLU A 53 6.379 -8.052 4.226 1.00 0.00 C ATOM 874 OE1 GLU A 53 7.333 -8.455 4.847 1.00 0.00 O ATOM 875 OE2 GLU A 53 5.680 -8.776 3.555 1.00 0.00 O ATOM 0 H GLU A 53 8.092 -4.431 6.992 1.00 0.00 H new ATOM 0 HA GLU A 53 6.559 -3.907 4.622 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.906 -5.961 5.001 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.858 -6.401 6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.937 -6.582 4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.966 -6.113 3.441 1.00 0.00 H new ATOM 882 N LEU A 54 4.176 -3.929 5.309 1.00 0.00 N ATOM 883 CA LEU A 54 2.802 -3.707 5.745 1.00 0.00 C ATOM 884 C LEU A 54 2.026 -5.019 5.794 1.00 0.00 C ATOM 885 O LEU A 54 1.048 -5.200 5.068 1.00 0.00 O ATOM 886 CB LEU A 54 2.104 -2.705 4.816 1.00 0.00 C ATOM 887 CG LEU A 54 2.836 -1.371 4.627 1.00 0.00 C ATOM 888 CD1 LEU A 54 2.038 -0.464 3.699 1.00 0.00 C ATOM 889 CD2 LEU A 54 3.045 -0.709 5.980 1.00 0.00 C ATOM 0 H LEU A 54 4.329 -3.789 4.310 1.00 0.00 H new ATOM 0 HA LEU A 54 2.827 -3.292 6.753 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.972 -3.170 3.839 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.108 -2.502 5.209 1.00 0.00 H new ATOM 0 HG LEU A 54 3.810 -1.552 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.566 0.481 3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.921 -0.948 2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.056 -0.275 4.131 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.565 0.239 5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.078 -0.528 6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.641 -1.363 6.617 1.00 0.00 H new ATOM 901 N ALA A 55 2.468 -5.931 6.652 1.00 0.00 N ATOM 902 CA ALA A 55 1.947 -7.293 6.656 1.00 0.00 C ATOM 903 C ALA A 55 0.738 -7.416 7.577 1.00 0.00 C ATOM 904 O ALA A 55 -0.083 -8.320 7.423 1.00 0.00 O ATOM 905 CB ALA A 55 3.034 -8.272 7.076 1.00 0.00 C ATOM 0 H ALA A 55 3.186 -5.752 7.354 1.00 0.00 H new ATOM 0 HA ALA A 55 1.625 -7.536 5.643 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.632 -9.285 7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.868 -8.212 6.377 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.382 -8.021 8.078 1.00 0.00 H new ATOM 911 N ASP A 56 0.635 -6.502 8.536 1.00 0.00 N ATOM 912 CA ASP A 56 -0.413 -6.569 9.547 1.00 0.00 C ATOM 913 C ASP A 56 -1.634 -5.760 9.120 1.00 0.00 C ATOM 914 O ASP A 56 -1.580 -4.533 9.043 1.00 0.00 O ATOM 915 CB ASP A 56 0.110 -6.067 10.896 1.00 0.00 C ATOM 916 CG ASP A 56 -0.892 -6.175 12.037 1.00 0.00 C ATOM 917 OD1 ASP A 56 -2.032 -6.478 11.776 1.00 0.00 O ATOM 918 OD2 ASP A 56 -0.479 -6.111 13.171 1.00 0.00 O ATOM 0 H ASP A 56 1.265 -5.706 8.634 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.713 -7.611 9.654 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.004 -6.632 11.159 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.411 -5.025 10.790 1.00 0.00 H new ATOM 923 N ASP A 57 -2.730 -6.456 8.842 1.00 0.00 N ATOM 924 CA ASP A 57 -3.933 -5.814 8.325 1.00 0.00 C ATOM 925 C ASP A 57 -4.523 -4.856 9.355 1.00 0.00 C ATOM 926 O ASP A 57 -5.123 -3.841 9.002 1.00 0.00 O ATOM 927 CB ASP A 57 -4.973 -6.862 7.921 1.00 0.00 C ATOM 928 CG ASP A 57 -4.662 -7.587 6.619 1.00 0.00 C ATOM 929 OD1 ASP A 57 -3.868 -7.086 5.858 1.00 0.00 O ATOM 930 OD2 ASP A 57 -5.098 -8.702 6.465 1.00 0.00 O ATOM 0 H ASP A 57 -2.811 -7.465 8.966 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.654 -5.240 7.441 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.059 -7.598 8.721 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.944 -6.376 7.829 1.00 0.00 H new ATOM 935 N TYR A 58 -4.349 -5.186 10.630 1.00 0.00 N ATOM 936 CA TYR A 58 -5.048 -4.487 11.703 1.00 0.00 C ATOM 937 C TYR A 58 -4.187 -3.365 12.273 1.00 0.00 C ATOM 938 O TYR A 58 -4.648 -2.565 13.085 1.00 0.00 O ATOM 939 CB TYR A 58 -5.441 -5.465 12.813 1.00 0.00 C ATOM 940 CG TYR A 58 -6.429 -6.524 12.376 1.00 0.00 C ATOM 941 CD1 TYR A 58 -7.788 -6.253 12.328 1.00 0.00 C ATOM 942 CD2 TYR A 58 -5.999 -7.792 12.014 1.00 0.00 C ATOM 943 CE1 TYR A 58 -8.694 -7.216 11.931 1.00 0.00 C ATOM 944 CE2 TYR A 58 -6.896 -8.763 11.612 1.00 0.00 C ATOM 945 CZ TYR A 58 -8.244 -8.470 11.573 1.00 0.00 C ATOM 946 OH TYR A 58 -9.144 -9.434 11.176 1.00 0.00 O ATOM 0 H TYR A 58 -3.730 -5.933 10.946 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.953 -4.047 11.285 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.542 -5.954 13.188 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.869 -4.904 13.644 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.144 -5.272 12.606 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.945 -8.024 12.047 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.749 -6.989 11.901 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -6.545 -9.745 11.330 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.664 -10.260 10.957 1.00 0.00 H new ATOM 956 N ARG A 59 -2.931 -3.313 11.839 1.00 0.00 N ATOM 957 CA ARG A 59 -2.027 -2.242 12.240 1.00 0.00 C ATOM 958 C ARG A 59 -2.258 -0.991 11.399 1.00 0.00 C ATOM 959 O ARG A 59 -2.374 -1.066 10.176 1.00 0.00 O ATOM 960 CB ARG A 59 -0.570 -2.676 12.209 1.00 0.00 C ATOM 961 CG ARG A 59 0.422 -1.627 12.686 1.00 0.00 C ATOM 962 CD ARG A 59 1.817 -2.116 12.820 1.00 0.00 C ATOM 963 NE ARG A 59 2.798 -1.079 13.091 1.00 0.00 N ATOM 964 CZ ARG A 59 4.120 -1.292 13.230 1.00 0.00 C ATOM 965 NH1 ARG A 59 4.621 -2.507 13.164 1.00 0.00 N ATOM 966 NH2 ARG A 59 4.902 -0.251 13.459 1.00 0.00 N ATOM 0 H ARG A 59 -2.517 -4.001 11.210 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.256 -1.997 13.277 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.459 -3.567 12.826 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -0.313 -2.961 11.189 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.409 -0.789 11.989 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.090 -1.244 13.651 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.855 -2.852 13.623 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.097 -2.632 11.902 1.00 0.00 H new ATOM 0 HE ARG A 59 2.461 -0.121 13.183 1.00 0.00 H new ATOM 0 HH11 ARG A 59 4.005 -3.305 13.005 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.625 -2.651 13.271 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.500 0.684 13.526 1.00 0.00 H new ATOM 0 HH22 ARG A 59 5.908 -0.383 13.569 1.00 0.00 H new ATOM 980 N ASN A 60 -2.326 0.159 12.063 1.00 0.00 N ATOM 981 CA ASN A 60 -2.760 1.391 11.416 1.00 0.00 C ATOM 982 C ASN A 60 -1.627 2.004 10.599 1.00 0.00 C ATOM 983 O ASN A 60 -0.450 1.751 10.861 1.00 0.00 O ATOM 984 CB ASN A 60 -3.286 2.395 12.425 1.00 0.00 C ATOM 985 CG ASN A 60 -4.589 1.992 13.058 1.00 0.00 C ATOM 986 OD1 ASN A 60 -5.608 1.828 12.379 1.00 0.00 O ATOM 987 ND2 ASN A 60 -4.580 1.909 14.364 1.00 0.00 N ATOM 0 H ASN A 60 -2.086 0.263 13.049 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.577 1.134 10.741 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.540 2.535 13.208 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.415 3.359 11.932 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.442 1.700 14.868 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.711 2.053 14.878 1.00 0.00 H new ATOM 994 N LEU A 61 -1.989 2.814 9.609 1.00 0.00 N ATOM 995 CA LEU A 61 -1.003 3.530 8.807 1.00 0.00 C ATOM 996 C LEU A 61 -0.152 4.447 9.681 1.00 0.00 C ATOM 997 O LEU A 61 1.061 4.540 9.501 1.00 0.00 O ATOM 998 CB LEU A 61 -1.699 4.336 7.703 1.00 0.00 C ATOM 999 CG LEU A 61 -2.360 3.497 6.602 1.00 0.00 C ATOM 1000 CD1 LEU A 61 -3.236 4.384 5.727 1.00 0.00 C ATOM 1001 CD2 LEU A 61 -1.286 2.813 5.770 1.00 0.00 C ATOM 0 H LEU A 61 -2.958 2.991 9.343 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.343 2.797 8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.459 4.969 8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.967 4.999 7.242 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.991 2.733 7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.702 3.780 4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.010 4.847 6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.624 5.160 5.268 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.756 2.217 4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.643 3.567 5.315 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.688 2.165 6.410 1.00 0.00 H new ATOM 1013 N ASN A 62 -0.798 5.120 10.628 1.00 0.00 N ATOM 1014 CA ASN A 62 -0.089 5.947 11.597 1.00 0.00 C ATOM 1015 C ASN A 62 0.886 5.109 12.418 1.00 0.00 C ATOM 1016 O ASN A 62 2.012 5.531 12.683 1.00 0.00 O ATOM 1017 CB ASN A 62 -1.051 6.685 12.509 1.00 0.00 C ATOM 1018 CG ASN A 62 -0.371 7.550 13.534 1.00 0.00 C ATOM 1019 OD1 ASN A 62 0.368 8.482 13.197 1.00 0.00 O ATOM 1020 ND2 ASN A 62 -0.551 7.195 14.780 1.00 0.00 N ATOM 0 H ASN A 62 -1.811 5.109 10.745 1.00 0.00 H new ATOM 0 HA ASN A 62 0.479 6.690 11.037 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.709 7.306 11.901 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.682 5.958 13.021 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.070 7.695 15.527 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.172 6.418 15.004 1.00 0.00 H new ATOM 1027 N GLU A 63 0.444 3.921 12.817 1.00 0.00 N ATOM 1028 CA GLU A 63 1.267 3.035 13.633 1.00 0.00 C ATOM 1029 C GLU A 63 2.479 2.541 12.847 1.00 0.00 C ATOM 1030 O GLU A 63 3.536 2.273 13.416 1.00 0.00 O ATOM 1031 CB GLU A 63 0.444 1.848 14.136 1.00 0.00 C ATOM 1032 CG GLU A 63 -0.539 2.191 15.247 1.00 0.00 C ATOM 1033 CD GLU A 63 -1.440 1.028 15.556 1.00 0.00 C ATOM 1034 OE1 GLU A 63 -1.445 0.087 14.801 1.00 0.00 O ATOM 1035 OE2 GLU A 63 -2.040 1.029 16.606 1.00 0.00 O ATOM 0 H GLU A 63 -0.478 3.550 12.589 1.00 0.00 H new ATOM 0 HA GLU A 63 1.623 3.603 14.493 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.108 1.423 13.298 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.124 1.076 14.495 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.009 2.478 16.145 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.140 3.051 14.951 1.00 0.00 H new ATOM 1042 N TYR A 64 2.314 2.422 11.533 1.00 0.00 N ATOM 1043 CA TYR A 64 3.403 1.990 10.664 1.00 0.00 C ATOM 1044 C TYR A 64 4.384 3.131 10.412 1.00 0.00 C ATOM 1045 O TYR A 64 5.531 2.906 10.027 1.00 0.00 O ATOM 1046 CB TYR A 64 2.853 1.466 9.336 1.00 0.00 C ATOM 1047 CG TYR A 64 2.608 -0.027 9.321 1.00 0.00 C ATOM 1048 CD1 TYR A 64 3.662 -0.921 9.428 1.00 0.00 C ATOM 1049 CD2 TYR A 64 1.324 -0.538 9.197 1.00 0.00 C ATOM 1050 CE1 TYR A 64 3.445 -2.286 9.415 1.00 0.00 C ATOM 1051 CE2 TYR A 64 1.095 -1.899 9.183 1.00 0.00 C ATOM 1052 CZ TYR A 64 2.160 -2.771 9.292 1.00 0.00 C ATOM 1053 OH TYR A 64 1.937 -4.129 9.277 1.00 0.00 O ATOM 0 H TYR A 64 1.439 2.618 11.048 1.00 0.00 H new ATOM 0 HA TYR A 64 3.936 1.183 11.167 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.918 1.980 9.113 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.553 1.718 8.539 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.670 -0.545 9.523 1.00 0.00 H new ATOM 0 HD2 TYR A 64 0.489 0.141 9.110 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.277 -2.969 9.501 1.00 0.00 H new ATOM 0 HE2 TYR A 64 0.089 -2.280 9.087 1.00 0.00 H new ATOM 0 HH TYR A 64 2.399 -4.545 10.035 1.00 0.00 H new ATOM 1063 N GLY A 65 3.924 4.359 10.634 1.00 0.00 N ATOM 1064 CA GLY A 65 4.737 5.522 10.330 1.00 0.00 C ATOM 1065 C GLY A 65 4.528 6.021 8.914 1.00 0.00 C ATOM 1066 O GLY A 65 5.439 6.582 8.305 1.00 0.00 O ATOM 0 H GLY A 65 3.003 4.569 11.019 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.500 6.321 11.032 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.789 5.274 10.473 1.00 0.00 H new ATOM 1070 N ILE A 66 3.323 5.818 8.388 1.00 0.00 N ATOM 1071 CA ILE A 66 3.016 6.199 7.014 1.00 0.00 C ATOM 1072 C ILE A 66 2.684 7.683 6.917 1.00 0.00 C ATOM 1073 O ILE A 66 1.677 8.143 7.455 1.00 0.00 O ATOM 1074 CB ILE A 66 1.841 5.379 6.451 1.00 0.00 C ATOM 1075 CG1 ILE A 66 2.114 3.880 6.600 1.00 0.00 C ATOM 1076 CG2 ILE A 66 1.595 5.736 4.994 1.00 0.00 C ATOM 1077 CD1 ILE A 66 3.329 3.403 5.838 1.00 0.00 C ATOM 0 H ILE A 66 2.545 5.393 8.892 1.00 0.00 H new ATOM 0 HA ILE A 66 3.907 5.991 6.421 1.00 0.00 H new ATOM 0 HB ILE A 66 0.944 5.622 7.021 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.245 3.647 7.657 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.241 3.325 6.257 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.761 5.148 4.611 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.357 6.797 4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.490 5.520 4.410 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.458 2.332 5.992 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.194 3.603 4.775 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.213 3.930 6.196 1.00 0.00 H new ATOM 1089 N THR A 67 3.539 8.430 6.223 1.00 0.00 N ATOM 1090 CA THR A 67 3.426 9.882 6.184 1.00 0.00 C ATOM 1091 C THR A 67 2.765 10.349 4.892 1.00 0.00 C ATOM 1092 O THR A 67 2.416 9.537 4.036 1.00 0.00 O ATOM 1093 CB THR A 67 4.803 10.559 6.319 1.00 0.00 C ATOM 1094 OG1 THR A 67 5.593 10.275 5.157 1.00 0.00 O ATOM 1095 CG2 THR A 67 5.528 10.054 7.556 1.00 0.00 C ATOM 0 H THR A 67 4.316 8.052 5.681 1.00 0.00 H new ATOM 0 HA THR A 67 2.804 10.172 7.031 1.00 0.00 H new ATOM 0 HB THR A 67 4.654 11.635 6.413 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.468 10.707 5.243 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.499 10.544 7.634 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.935 10.280 8.443 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.671 8.976 7.479 1.00 0.00 H new ATOM 1103 N GLU A 68 2.596 11.660 4.759 1.00 0.00 N ATOM 1104 CA GLU A 68 1.975 12.232 3.570 1.00 0.00 C ATOM 1105 C GLU A 68 2.777 11.887 2.318 1.00 0.00 C ATOM 1106 O GLU A 68 2.228 11.812 1.219 1.00 0.00 O ATOM 1107 CB GLU A 68 1.842 13.750 3.711 1.00 0.00 C ATOM 1108 CG GLU A 68 1.188 14.437 2.520 1.00 0.00 C ATOM 1109 CD GLU A 68 1.051 15.916 2.751 1.00 0.00 C ATOM 1110 OE1 GLU A 68 1.443 16.374 3.798 1.00 0.00 O ATOM 1111 OE2 GLU A 68 0.661 16.606 1.838 1.00 0.00 O ATOM 0 H GLU A 68 2.880 12.346 5.459 1.00 0.00 H new ATOM 0 HA GLU A 68 0.979 11.801 3.469 1.00 0.00 H new ATOM 0 HB2 GLU A 68 1.260 13.970 4.606 1.00 0.00 H new ATOM 0 HB3 GLU A 68 2.833 14.177 3.862 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.783 14.260 1.624 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.205 14.002 2.341 1.00 0.00 H new ATOM 1118 N PHE A 69 4.077 11.679 2.494 1.00 0.00 N ATOM 1119 CA PHE A 69 4.973 11.440 1.368 1.00 0.00 C ATOM 1120 C PHE A 69 5.465 9.997 1.361 1.00 0.00 C ATOM 1121 O PHE A 69 6.493 9.682 0.761 1.00 0.00 O ATOM 1122 CB PHE A 69 6.160 12.403 1.413 1.00 0.00 C ATOM 1123 CG PHE A 69 5.765 13.853 1.388 1.00 0.00 C ATOM 1124 CD1 PHE A 69 5.406 14.468 0.198 1.00 0.00 C ATOM 1125 CD2 PHE A 69 5.751 14.602 2.554 1.00 0.00 C ATOM 1126 CE1 PHE A 69 5.043 15.801 0.173 1.00 0.00 C ATOM 1127 CE2 PHE A 69 5.388 15.936 2.532 1.00 0.00 C ATOM 1128 CZ PHE A 69 5.034 16.536 1.342 1.00 0.00 C ATOM 0 H PHE A 69 4.534 11.671 3.406 1.00 0.00 H new ATOM 0 HA PHE A 69 4.414 11.616 0.449 1.00 0.00 H new ATOM 0 HB2 PHE A 69 6.739 12.209 2.316 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.814 12.199 0.565 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.410 13.899 -0.720 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.027 14.139 3.490 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.766 16.268 -0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 69 5.382 16.509 3.448 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.750 17.578 1.324 1.00 0.00 H new ATOM 1138 N SER A 70 4.725 9.122 2.035 1.00 0.00 N ATOM 1139 CA SER A 70 5.133 7.730 2.187 1.00 0.00 C ATOM 1140 C SER A 70 5.335 7.071 0.824 1.00 0.00 C ATOM 1141 O SER A 70 4.620 7.369 -0.131 1.00 0.00 O ATOM 1142 CB SER A 70 4.104 6.968 2.999 1.00 0.00 C ATOM 1143 OG SER A 70 2.867 6.896 2.345 1.00 0.00 O ATOM 0 H SER A 70 3.839 9.353 2.485 1.00 0.00 H new ATOM 0 HA SER A 70 6.085 7.707 2.718 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.470 5.960 3.194 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.975 7.453 3.967 1.00 0.00 H new ATOM 0 HG SER A 70 2.549 7.801 2.146 1.00 0.00 H new ATOM 1149 N GLU A 71 6.314 6.176 0.748 1.00 0.00 N ATOM 1150 CA GLU A 71 6.578 5.440 -0.483 1.00 0.00 C ATOM 1151 C GLU A 71 6.545 3.935 -0.235 1.00 0.00 C ATOM 1152 O GLU A 71 7.315 3.411 0.571 1.00 0.00 O ATOM 1153 CB GLU A 71 7.929 5.848 -1.074 1.00 0.00 C ATOM 1154 CG GLU A 71 8.000 7.295 -1.541 1.00 0.00 C ATOM 1155 CD GLU A 71 9.405 7.682 -1.910 1.00 0.00 C ATOM 1156 OE1 GLU A 71 10.271 7.570 -1.075 1.00 0.00 O ATOM 1157 OE2 GLU A 71 9.636 7.981 -3.058 1.00 0.00 O ATOM 0 H GLU A 71 6.936 5.943 1.522 1.00 0.00 H new ATOM 0 HA GLU A 71 5.794 5.688 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.704 5.682 -0.326 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.155 5.195 -1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.345 7.434 -2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.635 7.952 -0.752 1.00 0.00 H new ATOM 1164 N ILE A 72 5.648 3.245 -0.932 1.00 0.00 N ATOM 1165 CA ILE A 72 5.498 1.805 -0.768 1.00 0.00 C ATOM 1166 C ILE A 72 5.837 1.067 -2.058 1.00 0.00 C ATOM 1167 O ILE A 72 5.541 1.543 -3.155 1.00 0.00 O ATOM 1168 CB ILE A 72 4.068 1.432 -0.333 1.00 0.00 C ATOM 1169 CG1 ILE A 72 3.065 1.787 -1.434 1.00 0.00 C ATOM 1170 CG2 ILE A 72 3.707 2.133 0.966 1.00 0.00 C ATOM 1171 CD1 ILE A 72 1.686 1.209 -1.214 1.00 0.00 C ATOM 0 H ILE A 72 5.015 3.660 -1.615 1.00 0.00 H new ATOM 0 HA ILE A 72 6.195 1.502 0.014 1.00 0.00 H new ATOM 0 HB ILE A 72 4.027 0.356 -0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.987 2.872 -1.505 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.449 1.432 -2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.694 1.858 1.258 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.404 1.832 1.748 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.764 3.212 0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.033 1.504 -2.035 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.749 0.122 -1.174 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.280 1.584 -0.274 1.00 0.00 H new ATOM 1183 N VAL A 73 6.458 -0.100 -1.921 1.00 0.00 N ATOM 1184 CA VAL A 73 6.751 -0.950 -3.069 1.00 0.00 C ATOM 1185 C VAL A 73 5.746 -2.092 -3.176 1.00 0.00 C ATOM 1186 O VAL A 73 5.552 -2.854 -2.231 1.00 0.00 O ATOM 1187 CB VAL A 73 8.173 -1.535 -2.991 1.00 0.00 C ATOM 1188 CG1 VAL A 73 8.444 -2.438 -4.185 1.00 0.00 C ATOM 1189 CG2 VAL A 73 9.205 -0.420 -2.924 1.00 0.00 C ATOM 0 H VAL A 73 6.768 -0.479 -1.026 1.00 0.00 H new ATOM 0 HA VAL A 73 6.678 -0.320 -3.955 1.00 0.00 H new ATOM 0 HB VAL A 73 8.250 -2.132 -2.082 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.454 -2.843 -4.113 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.725 -3.257 -4.193 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.348 -1.862 -5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.204 -0.852 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.127 0.202 -3.816 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.025 0.190 -2.039 1.00 0.00 H new ATOM 1199 N VAL A 74 5.110 -2.204 -4.339 1.00 0.00 N ATOM 1200 CA VAL A 74 4.062 -3.199 -4.544 1.00 0.00 C ATOM 1201 C VAL A 74 4.382 -4.093 -5.736 1.00 0.00 C ATOM 1202 O VAL A 74 4.700 -3.609 -6.823 1.00 0.00 O ATOM 1203 CB VAL A 74 2.689 -2.537 -4.764 1.00 0.00 C ATOM 1204 CG1 VAL A 74 1.613 -3.595 -4.956 1.00 0.00 C ATOM 1205 CG2 VAL A 74 2.340 -1.632 -3.591 1.00 0.00 C ATOM 0 H VAL A 74 5.302 -1.619 -5.152 1.00 0.00 H new ATOM 0 HA VAL A 74 4.020 -3.805 -3.639 1.00 0.00 H new ATOM 0 HB VAL A 74 2.741 -1.928 -5.667 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.649 -3.110 -5.110 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.855 -4.206 -5.825 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.563 -4.228 -4.070 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.367 -1.172 -3.763 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.306 -2.221 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.097 -0.854 -3.494 1.00 0.00 H new ATOM 1215 N PHE A 75 4.293 -5.402 -5.527 1.00 0.00 N ATOM 1216 CA PHE A 75 4.777 -6.369 -6.505 1.00 0.00 C ATOM 1217 C PHE A 75 3.617 -6.992 -7.276 1.00 0.00 C ATOM 1218 O PHE A 75 2.588 -7.341 -6.695 1.00 0.00 O ATOM 1219 CB PHE A 75 5.602 -7.460 -5.820 1.00 0.00 C ATOM 1220 CG PHE A 75 6.820 -6.941 -5.109 1.00 0.00 C ATOM 1221 CD1 PHE A 75 8.034 -6.837 -5.770 1.00 0.00 C ATOM 1222 CD2 PHE A 75 6.754 -6.556 -3.779 1.00 0.00 C ATOM 1223 CE1 PHE A 75 9.156 -6.362 -5.120 1.00 0.00 C ATOM 1224 CE2 PHE A 75 7.874 -6.078 -3.125 1.00 0.00 C ATOM 1225 CZ PHE A 75 9.075 -5.981 -3.795 1.00 0.00 C ATOM 0 H PHE A 75 3.889 -5.818 -4.688 1.00 0.00 H new ATOM 0 HA PHE A 75 5.415 -5.840 -7.213 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.970 -7.985 -5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 75 5.912 -8.191 -6.567 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.103 -7.131 -6.807 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.817 -6.630 -3.248 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.096 -6.289 -5.647 1.00 0.00 H new ATOM 0 HE2 PHE A 75 7.808 -5.780 -2.089 1.00 0.00 H new ATOM 0 HZ PHE A 75 9.951 -5.608 -3.285 1.00 0.00 H new