USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 64 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 67 GLN : amide:sc= -4.31! C(o=-4.3!,f=-7.5!) USER MOD Set 2.1: A 12 HIS :FLIP no HD1:sc= -12.5! C(o=-23!,f=-20!) USER MOD Set 2.2: A 37 MET CE :methyl 160:sc= -7.26! (180deg=-6.33!) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.0965 (180deg=-0.582) USER MOD Single : A 1 MET N :NH3+ 145:sc= -5.11! (180deg=-8.78!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 167:sc= 0.632 USER MOD Single : A 9 SER OG : rot -49:sc= -0.48! USER MOD Single : A 10 ASN : amide:sc= 0.379 K(o=0.38,f=-4.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot 125:sc= -1.22 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 82:sc= 1.1 USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= -0.767 (180deg=-2.24) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -2.62 X(o=-2.6,f=-2.7!) USER MOD Single : A 35 ASN : amide:sc= -2.56! C(o=-2.6!,f=-10!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.588 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 MET CE :methyl -156:sc= 0 (180deg=-0.0621) USER MOD Single : A 74 SER OG : rot 180:sc= -0.671 USER MOD Single : A 75 HIS : no HE2:sc= -2.29 K(o=-2.3,f=-4.7!) USER MOD Single : A 81 GLN : amide:sc= -0.189 K(o=-0.19,f=-2.1!) USER MOD Single : A 85 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.972 -1.039 12.320 1.00 0.00 N ATOM 2 CA MET A 1 3.143 -1.822 11.372 1.00 0.00 C ATOM 3 C MET A 1 3.217 -1.256 9.959 1.00 0.00 C ATOM 4 O MET A 1 3.404 -0.055 9.768 1.00 0.00 O ATOM 5 CB MET A 1 1.704 -1.802 11.880 1.00 0.00 C ATOM 6 CG MET A 1 0.692 -2.439 10.956 1.00 0.00 C ATOM 7 SD MET A 1 -1.002 -2.007 11.391 1.00 0.00 S ATOM 8 CE MET A 1 -0.969 -2.251 13.165 1.00 0.00 C ATOM 0 H1 MET A 1 3.506 -1.013 13.249 1.00 0.00 H new ATOM 0 H2 MET A 1 4.907 -1.485 12.414 1.00 0.00 H new ATOM 0 H3 MET A 1 4.086 -0.069 11.962 1.00 0.00 H new ATOM 0 HA MET A 1 3.519 -2.844 11.322 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.667 -2.313 12.842 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.411 -0.767 12.057 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.892 -2.126 9.931 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.807 -3.522 10.987 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.987 -2.374 13.534 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.388 -3.143 13.399 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.512 -1.384 13.643 1.00 0.00 H new ATOM 20 N PHE A 2 3.064 -2.129 8.971 1.00 0.00 N ATOM 21 CA PHE A 2 3.111 -1.713 7.578 1.00 0.00 C ATOM 22 C PHE A 2 1.766 -1.160 7.135 1.00 0.00 C ATOM 23 O PHE A 2 0.718 -1.542 7.660 1.00 0.00 O ATOM 24 CB PHE A 2 3.526 -2.881 6.683 1.00 0.00 C ATOM 25 CG PHE A 2 4.977 -3.233 6.810 1.00 0.00 C ATOM 26 CD1 PHE A 2 5.955 -2.368 6.348 1.00 0.00 C ATOM 27 CD2 PHE A 2 5.364 -4.424 7.397 1.00 0.00 C ATOM 28 CE1 PHE A 2 7.294 -2.687 6.471 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.700 -4.747 7.524 1.00 0.00 C ATOM 30 CZ PHE A 2 7.666 -3.879 7.060 1.00 0.00 C ATOM 0 H PHE A 2 2.907 -3.127 9.110 1.00 0.00 H new ATOM 0 HA PHE A 2 3.855 -0.922 7.485 1.00 0.00 H new ATOM 0 HB2 PHE A 2 2.923 -3.754 6.933 1.00 0.00 H new ATOM 0 HB3 PHE A 2 3.309 -2.630 5.645 1.00 0.00 H new ATOM 0 HD1 PHE A 2 5.668 -1.434 5.887 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.612 -5.109 7.760 1.00 0.00 H new ATOM 0 HE1 PHE A 2 8.048 -2.005 6.107 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.989 -5.679 7.987 1.00 0.00 H new ATOM 0 HZ PHE A 2 8.712 -4.131 7.157 1.00 0.00 H new ATOM 40 N LYS A 3 1.803 -0.251 6.172 1.00 0.00 N ATOM 41 CA LYS A 3 0.594 0.369 5.660 1.00 0.00 C ATOM 42 C LYS A 3 0.514 0.232 4.148 1.00 0.00 C ATOM 43 O LYS A 3 1.395 0.699 3.429 1.00 0.00 O ATOM 44 CB LYS A 3 0.565 1.849 6.044 1.00 0.00 C ATOM 45 CG LYS A 3 -0.085 2.118 7.391 1.00 0.00 C ATOM 46 CD LYS A 3 0.948 2.170 8.507 1.00 0.00 C ATOM 47 CE LYS A 3 1.014 3.547 9.148 1.00 0.00 C ATOM 48 NZ LYS A 3 -0.055 3.738 10.165 1.00 0.00 N ATOM 0 H LYS A 3 2.662 0.074 5.729 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.264 -0.139 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.586 2.231 6.060 1.00 0.00 H new ATOM 0 HB3 LYS A 3 0.029 2.404 5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -0.628 3.062 7.352 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -0.816 1.338 7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.702 1.427 9.266 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.928 1.907 8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.989 3.683 9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.922 4.311 8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 0.025 4.689 10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.986 3.634 9.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.048 3.025 10.915 1.00 0.00 H new ATOM 62 N VAL A 4 -0.542 -0.409 3.663 1.00 0.00 N ATOM 63 CA VAL A 4 -0.709 -0.585 2.226 1.00 0.00 C ATOM 64 C VAL A 4 -1.846 0.265 1.680 1.00 0.00 C ATOM 65 O VAL A 4 -3.015 0.058 2.016 1.00 0.00 O ATOM 66 CB VAL A 4 -0.959 -2.056 1.837 1.00 0.00 C ATOM 67 CG1 VAL A 4 -1.624 -2.151 0.472 1.00 0.00 C ATOM 68 CG2 VAL A 4 0.342 -2.823 1.816 1.00 0.00 C ATOM 0 H VAL A 4 -1.286 -0.810 4.234 1.00 0.00 H new ATOM 0 HA VAL A 4 0.232 -0.260 1.782 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.623 -2.491 2.584 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.790 -3.198 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.580 -1.628 0.496 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.979 -1.695 -0.279 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.149 -3.860 1.540 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.018 -2.373 1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.800 -2.790 2.805 1.00 0.00 H new ATOM 78 N TYR A 5 -1.496 1.197 0.804 1.00 0.00 N ATOM 79 CA TYR A 5 -2.477 2.058 0.177 1.00 0.00 C ATOM 80 C TYR A 5 -2.866 1.496 -1.182 1.00 0.00 C ATOM 81 O TYR A 5 -2.135 1.652 -2.159 1.00 0.00 O ATOM 82 CB TYR A 5 -1.924 3.474 0.015 1.00 0.00 C ATOM 83 CG TYR A 5 -1.635 4.174 1.323 1.00 0.00 C ATOM 84 CD1 TYR A 5 -2.450 3.988 2.430 1.00 0.00 C ATOM 85 CD2 TYR A 5 -0.547 5.026 1.445 1.00 0.00 C ATOM 86 CE1 TYR A 5 -2.189 4.635 3.622 1.00 0.00 C ATOM 87 CE2 TYR A 5 -0.278 5.674 2.633 1.00 0.00 C ATOM 88 CZ TYR A 5 -1.103 5.475 3.719 1.00 0.00 C ATOM 89 OH TYR A 5 -0.840 6.121 4.906 1.00 0.00 O ATOM 0 H TYR A 5 -0.534 1.373 0.514 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.360 2.101 0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.007 3.430 -0.572 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.638 4.069 -0.554 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.301 3.327 2.359 1.00 0.00 H new ATOM 0 HD2 TYR A 5 0.101 5.185 0.595 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.834 4.482 4.474 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.574 6.333 2.711 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.038 6.675 4.806 1.00 0.00 H new ATOM 99 N GLY A 6 -4.012 0.831 -1.236 1.00 0.00 N ATOM 100 CA GLY A 6 -4.469 0.250 -2.480 1.00 0.00 C ATOM 101 C GLY A 6 -5.951 -0.067 -2.458 1.00 0.00 C ATOM 102 O GLY A 6 -6.759 0.727 -1.978 1.00 0.00 O ATOM 0 H GLY A 6 -4.633 0.684 -0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.259 0.939 -3.298 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.908 -0.663 -2.680 1.00 0.00 H new ATOM 106 N TYR A 7 -6.309 -1.227 -2.996 1.00 0.00 N ATOM 107 CA TYR A 7 -7.694 -1.652 -3.060 1.00 0.00 C ATOM 108 C TYR A 7 -7.849 -3.047 -2.457 1.00 0.00 C ATOM 109 O TYR A 7 -6.905 -3.837 -2.474 1.00 0.00 O ATOM 110 CB TYR A 7 -8.138 -1.640 -4.509 1.00 0.00 C ATOM 111 CG TYR A 7 -7.621 -0.427 -5.228 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.303 -0.380 -5.641 1.00 0.00 C ATOM 113 CD2 TYR A 7 -8.418 0.693 -5.435 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.791 0.736 -6.257 1.00 0.00 C ATOM 115 CE2 TYR A 7 -7.907 1.814 -6.042 1.00 0.00 C ATOM 116 CZ TYR A 7 -6.594 1.833 -6.457 1.00 0.00 C ATOM 117 OH TYR A 7 -6.081 2.956 -7.066 1.00 0.00 O ATOM 0 H TYR A 7 -5.649 -1.893 -3.397 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.319 -0.970 -2.484 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.781 -2.541 -5.008 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.227 -1.658 -4.558 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.665 -1.235 -5.477 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -9.450 0.681 -5.115 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -4.761 0.751 -6.583 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -8.534 2.680 -6.194 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.814 3.558 -7.313 1.00 0.00 H new ATOM 127 N ASP A 8 -9.022 -3.355 -1.914 1.00 0.00 N ATOM 128 CA ASP A 8 -9.239 -4.667 -1.308 1.00 0.00 C ATOM 129 C ASP A 8 -10.667 -5.167 -1.524 1.00 0.00 C ATOM 130 O ASP A 8 -11.259 -5.772 -0.630 1.00 0.00 O ATOM 131 CB ASP A 8 -8.929 -4.614 0.193 1.00 0.00 C ATOM 132 CG ASP A 8 -7.789 -5.537 0.581 1.00 0.00 C ATOM 133 OD1 ASP A 8 -6.769 -5.556 -0.140 1.00 0.00 O ATOM 134 OD2 ASP A 8 -7.917 -6.238 1.606 1.00 0.00 O ATOM 0 H ASP A 8 -9.825 -2.728 -1.880 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.563 -5.368 -1.798 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.676 -3.591 0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.822 -4.887 0.756 1.00 0.00 H new ATOM 139 N SER A 9 -11.226 -4.919 -2.706 1.00 0.00 N ATOM 140 CA SER A 9 -12.587 -5.365 -2.997 1.00 0.00 C ATOM 141 C SER A 9 -12.888 -5.335 -4.498 1.00 0.00 C ATOM 142 O SER A 9 -11.980 -5.280 -5.328 1.00 0.00 O ATOM 143 CB SER A 9 -13.599 -4.501 -2.236 1.00 0.00 C ATOM 144 OG SER A 9 -13.021 -3.936 -1.071 1.00 0.00 O ATOM 0 H SER A 9 -10.767 -4.420 -3.468 1.00 0.00 H new ATOM 0 HA SER A 9 -12.674 -6.400 -2.665 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.963 -3.706 -2.886 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.462 -5.107 -1.959 1.00 0.00 H new ATOM 0 HG SER A 9 -12.561 -4.636 -0.562 1.00 0.00 H new ATOM 150 N ASN A 10 -14.178 -5.376 -4.828 1.00 0.00 N ATOM 151 CA ASN A 10 -14.641 -5.357 -6.211 1.00 0.00 C ATOM 152 C ASN A 10 -14.788 -3.929 -6.720 1.00 0.00 C ATOM 153 O ASN A 10 -15.295 -3.700 -7.818 1.00 0.00 O ATOM 154 CB ASN A 10 -15.974 -6.099 -6.338 1.00 0.00 C ATOM 155 CG ASN A 10 -17.075 -5.464 -5.511 1.00 0.00 C ATOM 156 OD1 ASN A 10 -16.908 -5.220 -4.316 1.00 0.00 O ATOM 157 ND2 ASN A 10 -18.209 -5.191 -6.146 1.00 0.00 N ATOM 0 H ASN A 10 -14.931 -5.423 -4.142 1.00 0.00 H new ATOM 0 HA ASN A 10 -13.893 -5.863 -6.822 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -16.276 -6.119 -7.385 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.841 -7.135 -6.025 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.985 -4.762 -5.642 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -18.304 -5.410 -7.138 1.00 0.00 H new ATOM 164 N ILE A 11 -14.321 -2.973 -5.926 1.00 0.00 N ATOM 165 CA ILE A 11 -14.379 -1.575 -6.311 1.00 0.00 C ATOM 166 C ILE A 11 -13.141 -1.230 -7.111 1.00 0.00 C ATOM 167 O ILE A 11 -13.028 -0.134 -7.663 1.00 0.00 O ATOM 168 CB ILE A 11 -14.436 -0.626 -5.090 1.00 0.00 C ATOM 169 CG1 ILE A 11 -14.993 -1.335 -3.857 1.00 0.00 C ATOM 170 CG2 ILE A 11 -15.255 0.611 -5.414 1.00 0.00 C ATOM 171 CD1 ILE A 11 -16.272 -2.103 -4.118 1.00 0.00 C ATOM 0 H ILE A 11 -13.899 -3.144 -5.013 1.00 0.00 H new ATOM 0 HA ILE A 11 -15.290 -1.439 -6.894 1.00 0.00 H new ATOM 0 HB ILE A 11 -13.416 -0.317 -4.860 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.239 -2.023 -3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.177 -0.596 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -15.284 1.266 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.800 1.140 -6.251 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -16.270 0.316 -5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.605 -2.579 -3.196 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.042 -1.418 -4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.090 -2.866 -4.875 1.00 0.00 H new ATOM 183 N HIS A 12 -12.200 -2.168 -7.160 1.00 0.00 N ATOM 184 CA HIS A 12 -10.968 -1.930 -7.887 1.00 0.00 C ATOM 185 C HIS A 12 -10.146 -3.205 -8.016 1.00 0.00 C ATOM 186 O HIS A 12 -10.110 -4.035 -7.108 1.00 0.00 O ATOM 187 CB HIS A 12 -10.173 -0.856 -7.159 1.00 0.00 C ATOM 188 CG HIS A 12 -9.205 -0.109 -8.013 1.00 0.00 C ATOM 189 ND1 HIS A 12 -9.370 1.053 -8.670 1.00 0.00 N flip ATOM 190 CD2 HIS A 12 -7.918 -0.503 -8.253 1.00 0.00 C flip ATOM 191 CE1 HIS A 12 -8.189 1.385 -9.328 1.00 0.00 C flip ATOM 192 NE2 HIS A 12 -7.345 0.414 -9.043 1.00 0.00 N flip ATOM 0 H HIS A 12 -12.268 -3.082 -6.712 1.00 0.00 H new ATOM 0 HA HIS A 12 -11.208 -1.596 -8.897 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.870 -0.145 -6.717 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.628 -1.321 -6.338 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.446 -1.397 -7.872 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -8.004 2.254 -9.942 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -6.383 0.367 -9.379 1.00 0.00 H new ATOM 200 N LYS A 13 -9.488 -3.344 -9.153 1.00 0.00 N ATOM 201 CA LYS A 13 -8.658 -4.513 -9.426 1.00 0.00 C ATOM 202 C LYS A 13 -7.289 -4.387 -8.764 1.00 0.00 C ATOM 203 O LYS A 13 -6.816 -3.281 -8.499 1.00 0.00 O ATOM 204 CB LYS A 13 -8.498 -4.707 -10.935 1.00 0.00 C ATOM 205 CG LYS A 13 -8.936 -6.082 -11.419 1.00 0.00 C ATOM 206 CD LYS A 13 -7.902 -6.716 -12.340 1.00 0.00 C ATOM 207 CE LYS A 13 -7.379 -8.030 -11.777 1.00 0.00 C ATOM 208 NZ LYS A 13 -7.311 -9.094 -12.817 1.00 0.00 N ATOM 0 H LYS A 13 -9.510 -2.660 -9.909 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.157 -5.385 -9.005 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.079 -3.945 -11.455 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.454 -4.551 -11.205 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.105 -6.732 -10.561 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.887 -5.996 -11.945 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.346 -6.891 -13.320 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.071 -6.025 -12.485 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.387 -7.874 -11.353 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.025 -8.359 -10.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.950 -9.972 -12.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.261 -9.262 -13.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.674 -8.792 -13.582 1.00 0.00 H new ATOM 222 N CYS A 14 -6.658 -5.531 -8.505 1.00 0.00 N ATOM 223 CA CYS A 14 -5.336 -5.568 -7.881 1.00 0.00 C ATOM 224 C CYS A 14 -4.973 -6.990 -7.452 1.00 0.00 C ATOM 225 O CYS A 14 -5.144 -7.361 -6.291 1.00 0.00 O ATOM 226 CB CYS A 14 -5.278 -4.630 -6.669 1.00 0.00 C ATOM 227 SG CYS A 14 -4.058 -3.305 -6.826 1.00 0.00 S ATOM 0 H CYS A 14 -7.044 -6.451 -8.719 1.00 0.00 H new ATOM 0 HA CYS A 14 -4.612 -5.231 -8.623 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -6.263 -4.188 -6.517 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.051 -5.216 -5.779 1.00 0.00 H new ATOM 0 HG CYS A 14 -4.083 -2.564 -5.758 1.00 0.00 H new ATOM 233 N VAL A 15 -4.470 -7.779 -8.398 1.00 0.00 N ATOM 234 CA VAL A 15 -4.080 -9.159 -8.118 1.00 0.00 C ATOM 235 C VAL A 15 -2.782 -9.208 -7.319 1.00 0.00 C ATOM 236 O VAL A 15 -2.640 -10.005 -6.392 1.00 0.00 O ATOM 237 CB VAL A 15 -3.903 -9.971 -9.417 1.00 0.00 C ATOM 238 CG1 VAL A 15 -5.219 -10.060 -10.175 1.00 0.00 C ATOM 239 CG2 VAL A 15 -2.814 -9.363 -10.290 1.00 0.00 C ATOM 0 H VAL A 15 -4.323 -7.487 -9.364 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.884 -9.603 -7.531 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.595 -10.982 -9.150 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.074 -10.637 -11.089 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.966 -10.550 -9.551 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.561 -9.057 -10.429 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.707 -9.952 -11.201 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.085 -8.340 -10.550 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.870 -9.361 -9.745 1.00 0.00 H new ATOM 249 N TYR A 16 -1.838 -8.348 -7.689 1.00 0.00 N ATOM 250 CA TYR A 16 -0.551 -8.286 -7.009 1.00 0.00 C ATOM 251 C TYR A 16 -0.726 -7.959 -5.528 1.00 0.00 C ATOM 252 O TYR A 16 0.164 -8.217 -4.717 1.00 0.00 O ATOM 253 CB TYR A 16 0.347 -7.241 -7.672 1.00 0.00 C ATOM 254 CG TYR A 16 1.406 -7.846 -8.565 1.00 0.00 C ATOM 255 CD1 TYR A 16 1.090 -8.296 -9.838 1.00 0.00 C ATOM 256 CD2 TYR A 16 2.718 -7.972 -8.130 1.00 0.00 C ATOM 257 CE1 TYR A 16 2.053 -8.854 -10.658 1.00 0.00 C ATOM 258 CE2 TYR A 16 3.688 -8.529 -8.943 1.00 0.00 C ATOM 259 CZ TYR A 16 3.351 -8.968 -10.205 1.00 0.00 C ATOM 260 OH TYR A 16 4.313 -9.523 -11.019 1.00 0.00 O ATOM 0 H TYR A 16 -1.941 -7.684 -8.457 1.00 0.00 H new ATOM 0 HA TYR A 16 -0.080 -9.266 -7.089 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.270 -6.562 -8.260 1.00 0.00 H new ATOM 0 HB3 TYR A 16 0.831 -6.644 -6.899 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.074 -8.209 -10.195 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.985 -7.630 -7.141 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.791 -9.199 -11.647 1.00 0.00 H new ATOM 0 HE2 TYR A 16 4.705 -8.620 -8.591 1.00 0.00 H new ATOM 0 HH TYR A 16 5.174 -9.529 -10.551 1.00 0.00 H new ATOM 270 N CYS A 17 -1.876 -7.385 -5.181 1.00 0.00 N ATOM 271 CA CYS A 17 -2.163 -7.021 -3.799 1.00 0.00 C ATOM 272 C CYS A 17 -2.296 -8.266 -2.928 1.00 0.00 C ATOM 273 O CYS A 17 -1.539 -8.453 -1.975 1.00 0.00 O ATOM 274 CB CYS A 17 -3.445 -6.188 -3.730 1.00 0.00 C ATOM 275 SG CYS A 17 -3.990 -5.795 -2.050 1.00 0.00 S ATOM 0 H CYS A 17 -2.623 -7.163 -5.839 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.332 -6.426 -3.420 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.289 -5.257 -4.276 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -4.243 -6.727 -4.241 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.130 -4.508 -1.929 1.00 0.00 H new ATOM 281 N ASP A 18 -3.256 -9.121 -3.265 1.00 0.00 N ATOM 282 CA ASP A 18 -3.488 -10.350 -2.511 1.00 0.00 C ATOM 283 C ASP A 18 -2.182 -11.113 -2.312 1.00 0.00 C ATOM 284 O ASP A 18 -1.925 -11.662 -1.239 1.00 0.00 O ATOM 285 CB ASP A 18 -4.509 -11.231 -3.238 1.00 0.00 C ATOM 286 CG ASP A 18 -5.835 -11.296 -2.505 1.00 0.00 C ATOM 287 OD1 ASP A 18 -6.670 -10.388 -2.704 1.00 0.00 O ATOM 288 OD2 ASP A 18 -6.037 -12.255 -1.730 1.00 0.00 O ATOM 0 H ASP A 18 -3.887 -8.986 -4.055 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.885 -10.084 -1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.670 -10.843 -4.244 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.106 -12.238 -3.346 1.00 0.00 H new ATOM 293 N ASN A 19 -1.357 -11.133 -3.353 1.00 0.00 N ATOM 294 CA ASN A 19 -0.071 -11.818 -3.295 1.00 0.00 C ATOM 295 C ASN A 19 0.854 -11.137 -2.293 1.00 0.00 C ATOM 296 O ASN A 19 1.529 -11.801 -1.504 1.00 0.00 O ATOM 297 CB ASN A 19 0.581 -11.842 -4.681 1.00 0.00 C ATOM 298 CG ASN A 19 0.230 -13.093 -5.462 1.00 0.00 C ATOM 299 OD1 ASN A 19 0.624 -14.201 -5.093 1.00 0.00 O ATOM 300 ND2 ASN A 19 -0.513 -12.922 -6.548 1.00 0.00 N ATOM 0 H ASN A 19 -1.556 -10.683 -4.247 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.242 -12.844 -2.968 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.264 -10.964 -5.244 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.664 -11.777 -4.572 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.780 -13.727 -7.115 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.817 -11.986 -6.816 1.00 0.00 H new ATOM 307 N ALA A 20 0.886 -9.809 -2.333 1.00 0.00 N ATOM 308 CA ALA A 20 1.728 -9.047 -1.424 1.00 0.00 C ATOM 309 C ALA A 20 1.236 -9.177 0.012 1.00 0.00 C ATOM 310 O ALA A 20 2.032 -9.187 0.954 1.00 0.00 O ATOM 311 CB ALA A 20 1.779 -7.584 -1.841 1.00 0.00 C ATOM 0 H ALA A 20 0.341 -9.242 -2.983 1.00 0.00 H new ATOM 0 HA ALA A 20 2.737 -9.456 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.414 -7.030 -1.149 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.187 -7.507 -2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.773 -7.166 -1.824 1.00 0.00 H new ATOM 317 N LYS A 21 -0.078 -9.295 0.176 1.00 0.00 N ATOM 318 CA LYS A 21 -0.667 -9.441 1.501 1.00 0.00 C ATOM 319 C LYS A 21 -0.068 -10.654 2.203 1.00 0.00 C ATOM 320 O LYS A 21 0.297 -10.590 3.377 1.00 0.00 O ATOM 321 CB LYS A 21 -2.185 -9.589 1.395 1.00 0.00 C ATOM 322 CG LYS A 21 -2.893 -9.569 2.740 1.00 0.00 C ATOM 323 CD LYS A 21 -4.168 -10.393 2.705 1.00 0.00 C ATOM 324 CE LYS A 21 -3.911 -11.833 3.117 1.00 0.00 C ATOM 325 NZ LYS A 21 -5.096 -12.440 3.783 1.00 0.00 N ATOM 0 H LYS A 21 -0.752 -9.292 -0.589 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.446 -8.547 2.085 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.578 -8.783 0.775 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.416 -10.525 0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.227 -9.959 3.510 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.129 -8.541 3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.908 -9.949 3.371 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.590 -10.371 1.700 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.648 -12.421 2.237 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.056 -11.870 3.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.880 -13.422 4.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.332 -11.895 4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.905 -12.428 3.130 1.00 0.00 H new ATOM 339 N ARG A 22 0.046 -11.754 1.465 1.00 0.00 N ATOM 340 CA ARG A 22 0.619 -12.980 2.004 1.00 0.00 C ATOM 341 C ARG A 22 2.123 -12.817 2.209 1.00 0.00 C ATOM 342 O ARG A 22 2.721 -13.490 3.049 1.00 0.00 O ATOM 343 CB ARG A 22 0.345 -14.157 1.065 1.00 0.00 C ATOM 344 CG ARG A 22 0.933 -15.473 1.550 1.00 0.00 C ATOM 345 CD ARG A 22 -0.043 -16.624 1.363 1.00 0.00 C ATOM 346 NE ARG A 22 0.155 -17.309 0.088 1.00 0.00 N ATOM 347 CZ ARG A 22 -0.421 -18.467 -0.229 1.00 0.00 C ATOM 348 NH1 ARG A 22 -1.230 -19.072 0.631 1.00 0.00 N ATOM 349 NH2 ARG A 22 -0.189 -19.020 -1.412 1.00 0.00 N ATOM 0 H ARG A 22 -0.251 -11.820 0.492 1.00 0.00 H new ATOM 0 HA ARG A 22 0.151 -13.183 2.967 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.732 -14.272 0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.752 -13.928 0.080 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.854 -15.684 1.006 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.198 -15.387 2.604 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.076 -17.336 2.179 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.064 -16.246 1.416 1.00 0.00 H new ATOM 0 HE ARG A 22 0.771 -16.875 -0.600 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.414 -18.650 1.541 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.668 -19.959 0.382 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.430 -18.558 -2.078 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.630 -19.907 -1.656 1.00 0.00 H new ATOM 363 N LEU A 23 2.726 -11.908 1.442 1.00 0.00 N ATOM 364 CA LEU A 23 4.157 -11.642 1.544 1.00 0.00 C ATOM 365 C LEU A 23 4.530 -11.312 2.982 1.00 0.00 C ATOM 366 O LEU A 23 5.371 -11.976 3.587 1.00 0.00 O ATOM 367 CB LEU A 23 4.536 -10.474 0.625 1.00 0.00 C ATOM 368 CG LEU A 23 6.018 -10.375 0.242 1.00 0.00 C ATOM 369 CD1 LEU A 23 6.319 -9.003 -0.339 1.00 0.00 C ATOM 370 CD2 LEU A 23 6.915 -10.643 1.440 1.00 0.00 C ATOM 0 H LEU A 23 2.243 -11.344 0.743 1.00 0.00 H new ATOM 0 HA LEU A 23 4.704 -12.533 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.949 -10.552 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.244 -9.544 1.113 1.00 0.00 H new ATOM 0 HG LEU A 23 6.223 -11.136 -0.511 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.374 -8.945 -0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.709 -8.843 -1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.090 -8.236 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.959 -10.566 1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.708 -9.911 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.721 -11.645 1.823 1.00 0.00 H new ATOM 382 N LEU A 24 3.886 -10.287 3.521 1.00 0.00 N ATOM 383 CA LEU A 24 4.138 -9.866 4.895 1.00 0.00 C ATOM 384 C LEU A 24 3.727 -10.959 5.872 1.00 0.00 C ATOM 385 O LEU A 24 4.430 -11.234 6.844 1.00 0.00 O ATOM 386 CB LEU A 24 3.382 -8.574 5.208 1.00 0.00 C ATOM 387 CG LEU A 24 3.432 -7.510 4.109 1.00 0.00 C ATOM 388 CD1 LEU A 24 2.755 -6.229 4.574 1.00 0.00 C ATOM 389 CD2 LEU A 24 4.869 -7.229 3.697 1.00 0.00 C ATOM 0 H LEU A 24 3.186 -9.731 3.030 1.00 0.00 H new ATOM 0 HA LEU A 24 5.207 -9.682 5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.339 -8.821 5.406 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.788 -8.147 6.125 1.00 0.00 H new ATOM 0 HG LEU A 24 2.894 -7.892 3.242 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.801 -5.484 3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.713 -6.436 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.266 -5.848 5.458 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.881 -6.470 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.431 -6.871 4.559 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.325 -8.145 3.321 1.00 0.00 H new ATOM 401 N THR A 25 2.588 -11.587 5.601 1.00 0.00 N ATOM 402 CA THR A 25 2.086 -12.657 6.451 1.00 0.00 C ATOM 403 C THR A 25 3.088 -13.808 6.501 1.00 0.00 C ATOM 404 O THR A 25 3.243 -14.469 7.528 1.00 0.00 O ATOM 405 CB THR A 25 0.738 -13.160 5.934 1.00 0.00 C ATOM 406 OG1 THR A 25 -0.134 -12.077 5.671 1.00 0.00 O ATOM 407 CG2 THR A 25 0.037 -14.092 6.899 1.00 0.00 C ATOM 0 H THR A 25 1.996 -11.372 4.799 1.00 0.00 H new ATOM 0 HA THR A 25 1.951 -12.263 7.458 1.00 0.00 H new ATOM 0 HB THR A 25 0.966 -13.712 5.022 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.070 -11.699 4.790 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.913 -14.412 6.471 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.664 -14.964 7.083 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.146 -13.572 7.839 1.00 0.00 H new ATOM 415 N VAL A 26 3.769 -14.031 5.381 1.00 0.00 N ATOM 416 CA VAL A 26 4.762 -15.094 5.282 1.00 0.00 C ATOM 417 C VAL A 26 6.020 -14.741 6.073 1.00 0.00 C ATOM 418 O VAL A 26 6.580 -15.585 6.773 1.00 0.00 O ATOM 419 CB VAL A 26 5.139 -15.365 3.808 1.00 0.00 C ATOM 420 CG1 VAL A 26 6.319 -16.322 3.707 1.00 0.00 C ATOM 421 CG2 VAL A 26 3.942 -15.912 3.045 1.00 0.00 C ATOM 0 H VAL A 26 3.650 -13.487 4.526 1.00 0.00 H new ATOM 0 HA VAL A 26 4.318 -15.995 5.705 1.00 0.00 H new ATOM 0 HB VAL A 26 5.437 -14.418 3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.560 -16.493 2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.183 -15.889 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.060 -17.270 4.179 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.225 -16.097 2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.613 -16.845 3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.129 -15.187 3.075 1.00 0.00 H new ATOM 431 N LYS A 27 6.459 -13.492 5.956 1.00 0.00 N ATOM 432 CA LYS A 27 7.652 -13.034 6.659 1.00 0.00 C ATOM 433 C LYS A 27 7.386 -12.879 8.158 1.00 0.00 C ATOM 434 O LYS A 27 8.318 -12.866 8.961 1.00 0.00 O ATOM 435 CB LYS A 27 8.148 -11.712 6.066 1.00 0.00 C ATOM 436 CG LYS A 27 9.308 -11.884 5.094 1.00 0.00 C ATOM 437 CD LYS A 27 8.863 -11.699 3.651 1.00 0.00 C ATOM 438 CE LYS A 27 9.520 -12.716 2.731 1.00 0.00 C ATOM 439 NZ LYS A 27 8.545 -13.318 1.779 1.00 0.00 N ATOM 0 H LYS A 27 6.007 -12.780 5.382 1.00 0.00 H new ATOM 0 HA LYS A 27 8.427 -13.789 6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.322 -11.220 5.552 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.457 -11.052 6.876 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.090 -11.162 5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 27 9.742 -12.876 5.217 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.779 -11.796 3.588 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.112 -10.691 3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 27 10.322 -12.234 2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 27 9.977 -13.504 3.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.893 -14.247 1.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.625 -13.433 2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.435 -12.695 0.954 1.00 0.00 H new ATOM 453 N LYS A 28 6.107 -12.770 8.528 1.00 0.00 N ATOM 454 CA LYS A 28 5.711 -12.627 9.931 1.00 0.00 C ATOM 455 C LYS A 28 5.887 -11.191 10.415 1.00 0.00 C ATOM 456 O LYS A 28 6.772 -10.898 11.220 1.00 0.00 O ATOM 457 CB LYS A 28 6.513 -13.582 10.823 1.00 0.00 C ATOM 458 CG LYS A 28 5.712 -14.143 11.987 1.00 0.00 C ATOM 459 CD LYS A 28 4.835 -15.305 11.551 1.00 0.00 C ATOM 460 CE LYS A 28 5.656 -16.556 11.285 1.00 0.00 C ATOM 461 NZ LYS A 28 4.824 -17.658 10.728 1.00 0.00 N ATOM 0 H LYS A 28 5.326 -12.778 7.872 1.00 0.00 H new ATOM 0 HA LYS A 28 4.654 -12.884 9.999 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.884 -14.408 10.216 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.385 -13.056 11.212 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.392 -14.474 12.772 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.090 -13.357 12.414 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.094 -15.512 12.323 1.00 0.00 H new ATOM 0 HD3 LYS A 28 4.287 -15.030 10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 28 6.461 -16.321 10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.124 -16.887 12.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 5.421 -18.493 10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.071 -17.900 11.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.398 -17.352 9.830 1.00 0.00 H new ATOM 475 N GLN A 29 5.031 -10.301 9.928 1.00 0.00 N ATOM 476 CA GLN A 29 5.086 -8.897 10.316 1.00 0.00 C ATOM 477 C GLN A 29 3.683 -8.304 10.425 1.00 0.00 C ATOM 478 O GLN A 29 2.800 -8.637 9.636 1.00 0.00 O ATOM 479 CB GLN A 29 5.914 -8.100 9.307 1.00 0.00 C ATOM 480 CG GLN A 29 7.395 -8.445 9.323 1.00 0.00 C ATOM 481 CD GLN A 29 7.994 -8.392 10.716 1.00 0.00 C ATOM 482 OE1 GLN A 29 8.721 -9.298 11.126 1.00 0.00 O ATOM 483 NE2 GLN A 29 7.694 -7.327 11.449 1.00 0.00 N ATOM 0 H GLN A 29 4.291 -10.526 9.264 1.00 0.00 H new ATOM 0 HA GLN A 29 5.561 -8.835 11.295 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.520 -8.277 8.306 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.796 -7.036 9.513 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.536 -9.444 8.909 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.932 -7.753 8.675 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.087 -6.600 11.069 1.00 0.00 H new ATOM 0 HE22 GLN A 29 8.070 -7.235 12.393 1.00 0.00 H new ATOM 492 N PRO A 30 3.460 -7.407 11.403 1.00 0.00 N ATOM 493 CA PRO A 30 2.157 -6.765 11.600 1.00 0.00 C ATOM 494 C PRO A 30 1.901 -5.671 10.575 1.00 0.00 C ATOM 495 O PRO A 30 2.746 -4.801 10.361 1.00 0.00 O ATOM 496 CB PRO A 30 2.281 -6.161 12.995 1.00 0.00 C ATOM 497 CG PRO A 30 3.728 -5.834 13.115 1.00 0.00 C ATOM 498 CD PRO A 30 4.455 -6.935 12.388 1.00 0.00 C ATOM 0 HA PRO A 30 1.329 -7.465 11.490 1.00 0.00 H new ATOM 0 HB2 PRO A 30 1.660 -5.272 13.102 1.00 0.00 H new ATOM 0 HB3 PRO A 30 1.965 -6.865 13.765 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.948 -4.862 12.674 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.034 -5.786 14.160 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.359 -6.568 11.902 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.759 -7.732 13.066 1.00 0.00 H new ATOM 506 N PHE A 31 0.737 -5.714 9.941 1.00 0.00 N ATOM 507 CA PHE A 31 0.391 -4.718 8.940 1.00 0.00 C ATOM 508 C PHE A 31 -1.118 -4.501 8.848 1.00 0.00 C ATOM 509 O PHE A 31 -1.903 -5.286 9.380 1.00 0.00 O ATOM 510 CB PHE A 31 0.963 -5.115 7.592 1.00 0.00 C ATOM 511 CG PHE A 31 0.133 -6.134 6.877 1.00 0.00 C ATOM 512 CD1 PHE A 31 -1.000 -5.754 6.186 1.00 0.00 C ATOM 513 CD2 PHE A 31 0.474 -7.473 6.922 1.00 0.00 C ATOM 514 CE1 PHE A 31 -1.780 -6.691 5.546 1.00 0.00 C ATOM 515 CE2 PHE A 31 -0.302 -8.419 6.287 1.00 0.00 C ATOM 516 CZ PHE A 31 -1.434 -8.028 5.596 1.00 0.00 C ATOM 0 H PHE A 31 0.022 -6.423 10.101 1.00 0.00 H new ATOM 0 HA PHE A 31 0.831 -3.769 9.247 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.054 -4.227 6.967 1.00 0.00 H new ATOM 0 HB3 PHE A 31 1.969 -5.510 7.733 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.278 -4.711 6.147 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.358 -7.781 7.461 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.662 -6.381 5.005 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.027 -9.462 6.329 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.046 -8.765 5.097 1.00 0.00 H new ATOM 526 N GLU A 32 -1.514 -3.430 8.163 1.00 0.00 N ATOM 527 CA GLU A 32 -2.926 -3.109 7.996 1.00 0.00 C ATOM 528 C GLU A 32 -3.192 -2.535 6.611 1.00 0.00 C ATOM 529 O GLU A 32 -2.437 -1.696 6.118 1.00 0.00 O ATOM 530 CB GLU A 32 -3.383 -2.116 9.065 1.00 0.00 C ATOM 531 CG GLU A 32 -3.885 -2.781 10.336 1.00 0.00 C ATOM 532 CD GLU A 32 -5.178 -3.545 10.123 1.00 0.00 C ATOM 533 OE1 GLU A 32 -5.118 -4.675 9.593 1.00 0.00 O ATOM 534 OE2 GLU A 32 -6.249 -3.013 10.484 1.00 0.00 O ATOM 0 H GLU A 32 -0.876 -2.772 7.716 1.00 0.00 H new ATOM 0 HA GLU A 32 -3.493 -4.033 8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.553 -1.455 9.314 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.176 -1.491 8.654 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -3.122 -3.463 10.711 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -4.038 -2.022 11.103 1.00 0.00 H new ATOM 541 N PHE A 33 -4.267 -3.000 5.988 1.00 0.00 N ATOM 542 CA PHE A 33 -4.644 -2.550 4.660 1.00 0.00 C ATOM 543 C PHE A 33 -5.564 -1.337 4.729 1.00 0.00 C ATOM 544 O PHE A 33 -6.205 -1.084 5.749 1.00 0.00 O ATOM 545 CB PHE A 33 -5.350 -3.683 3.923 1.00 0.00 C ATOM 546 CG PHE A 33 -5.297 -3.543 2.438 1.00 0.00 C ATOM 547 CD1 PHE A 33 -4.159 -3.908 1.747 1.00 0.00 C ATOM 548 CD2 PHE A 33 -6.378 -3.045 1.737 1.00 0.00 C ATOM 549 CE1 PHE A 33 -4.099 -3.779 0.374 1.00 0.00 C ATOM 550 CE2 PHE A 33 -6.325 -2.911 0.363 1.00 0.00 C ATOM 551 CZ PHE A 33 -5.182 -3.280 -0.320 1.00 0.00 C ATOM 0 H PHE A 33 -4.897 -3.695 6.388 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.739 -2.262 4.125 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.895 -4.632 4.208 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.392 -3.720 4.241 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.308 -4.298 2.286 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.273 -2.758 2.268 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.204 -4.069 -0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.175 -2.519 -0.176 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.136 -3.178 -1.394 1.00 0.00 H new ATOM 561 N ILE A 34 -5.635 -0.599 3.626 1.00 0.00 N ATOM 562 CA ILE A 34 -6.484 0.577 3.538 1.00 0.00 C ATOM 563 C ILE A 34 -6.950 0.779 2.107 1.00 0.00 C ATOM 564 O ILE A 34 -6.144 0.833 1.177 1.00 0.00 O ATOM 565 CB ILE A 34 -5.764 1.851 4.014 1.00 0.00 C ATOM 566 CG1 ILE A 34 -5.060 1.603 5.347 1.00 0.00 C ATOM 567 CG2 ILE A 34 -6.750 3.003 4.137 1.00 0.00 C ATOM 568 CD1 ILE A 34 -4.128 2.722 5.753 1.00 0.00 C ATOM 0 H ILE A 34 -5.109 -0.800 2.776 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.337 0.403 4.194 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.011 2.119 3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -5.811 1.465 6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.493 0.674 5.283 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.225 3.897 4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.207 3.196 3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.525 2.743 4.858 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.663 2.479 6.708 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.356 2.846 4.994 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.693 3.649 5.850 1.00 0.00 H new ATOM 580 N ASN A 35 -8.254 0.880 1.941 1.00 0.00 N ATOM 581 CA ASN A 35 -8.848 1.068 0.625 1.00 0.00 C ATOM 582 C ASN A 35 -8.910 2.541 0.256 1.00 0.00 C ATOM 583 O ASN A 35 -9.680 3.304 0.840 1.00 0.00 O ATOM 584 CB ASN A 35 -10.257 0.472 0.583 1.00 0.00 C ATOM 585 CG ASN A 35 -10.269 -1.014 0.872 1.00 0.00 C ATOM 586 OD1 ASN A 35 -9.786 -1.815 0.074 1.00 0.00 O ATOM 587 ND2 ASN A 35 -10.828 -1.390 2.017 1.00 0.00 N ATOM 0 H ASN A 35 -8.929 0.835 2.704 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.216 0.553 -0.099 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.886 0.985 1.310 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.694 0.651 -0.399 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -10.869 -2.379 2.264 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.216 -0.690 2.649 1.00 0.00 H new ATOM 594 N ILE A 36 -8.111 2.937 -0.729 1.00 0.00 N ATOM 595 CA ILE A 36 -8.107 4.320 -1.181 1.00 0.00 C ATOM 596 C ILE A 36 -9.349 4.612 -2.021 1.00 0.00 C ATOM 597 O ILE A 36 -9.597 5.754 -2.401 1.00 0.00 O ATOM 598 CB ILE A 36 -6.843 4.660 -1.995 1.00 0.00 C ATOM 599 CG1 ILE A 36 -6.744 3.775 -3.239 1.00 0.00 C ATOM 600 CG2 ILE A 36 -5.601 4.507 -1.129 1.00 0.00 C ATOM 601 CD1 ILE A 36 -5.492 4.016 -4.053 1.00 0.00 C ATOM 0 H ILE A 36 -7.464 2.324 -1.225 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.112 4.946 -0.289 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.913 5.697 -2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.774 2.729 -2.934 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.616 3.949 -3.869 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.716 4.750 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.667 5.182 -0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.530 3.479 -0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.488 3.355 -4.919 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.470 5.053 -4.388 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.614 3.814 -3.439 1.00 0.00 H new ATOM 613 N MET A 37 -10.135 3.572 -2.296 1.00 0.00 N ATOM 614 CA MET A 37 -11.350 3.719 -3.077 1.00 0.00 C ATOM 615 C MET A 37 -12.498 2.946 -2.429 1.00 0.00 C ATOM 616 O MET A 37 -12.949 1.929 -2.956 1.00 0.00 O ATOM 617 CB MET A 37 -11.130 3.240 -4.514 1.00 0.00 C ATOM 618 CG MET A 37 -12.410 3.159 -5.338 1.00 0.00 C ATOM 619 SD MET A 37 -12.219 3.718 -7.050 1.00 0.00 S ATOM 620 CE MET A 37 -10.455 3.546 -7.314 1.00 0.00 C ATOM 0 H MET A 37 -9.947 2.619 -1.986 1.00 0.00 H new ATOM 0 HA MET A 37 -11.614 4.776 -3.104 1.00 0.00 H new ATOM 0 HB2 MET A 37 -10.432 3.915 -5.009 1.00 0.00 H new ATOM 0 HB3 MET A 37 -10.661 2.257 -4.491 1.00 0.00 H new ATOM 0 HG2 MET A 37 -12.764 2.128 -5.340 1.00 0.00 H new ATOM 0 HG3 MET A 37 -13.180 3.759 -4.854 1.00 0.00 H new ATOM 0 HE1 MET A 37 -10.249 3.507 -8.384 1.00 0.00 H new ATOM 0 HE2 MET A 37 -9.937 4.399 -6.875 1.00 0.00 H new ATOM 0 HE3 MET A 37 -10.105 2.627 -6.844 1.00 0.00 H new ATOM 630 N PRO A 38 -12.983 3.419 -1.267 1.00 0.00 N ATOM 631 CA PRO A 38 -14.083 2.768 -0.546 1.00 0.00 C ATOM 632 C PRO A 38 -15.376 2.755 -1.359 1.00 0.00 C ATOM 633 O PRO A 38 -16.321 2.041 -1.029 1.00 0.00 O ATOM 634 CB PRO A 38 -14.256 3.625 0.715 1.00 0.00 C ATOM 635 CG PRO A 38 -12.987 4.400 0.839 1.00 0.00 C ATOM 636 CD PRO A 38 -12.500 4.616 -0.564 1.00 0.00 C ATOM 0 HA PRO A 38 -13.862 1.722 -0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -15.116 4.289 0.625 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -14.425 3.003 1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.157 5.351 1.344 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -12.251 3.853 1.428 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.907 5.530 -0.997 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.414 4.699 -0.606 1.00 0.00 H new ATOM 644 N GLU A 39 -15.406 3.551 -2.424 1.00 0.00 N ATOM 645 CA GLU A 39 -16.575 3.634 -3.288 1.00 0.00 C ATOM 646 C GLU A 39 -16.151 3.695 -4.747 1.00 0.00 C ATOM 647 O GLU A 39 -15.226 4.424 -5.103 1.00 0.00 O ATOM 648 CB GLU A 39 -17.416 4.861 -2.933 1.00 0.00 C ATOM 649 CG GLU A 39 -18.868 4.748 -3.369 1.00 0.00 C ATOM 650 CD GLU A 39 -19.572 6.090 -3.411 1.00 0.00 C ATOM 651 OE1 GLU A 39 -19.410 6.813 -4.417 1.00 0.00 O ATOM 652 OE2 GLU A 39 -20.286 6.417 -2.441 1.00 0.00 O ATOM 0 H GLU A 39 -14.630 4.149 -2.708 1.00 0.00 H new ATOM 0 HA GLU A 39 -17.180 2.740 -3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.380 5.017 -1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -16.973 5.742 -3.397 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -18.912 4.288 -4.356 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.398 4.085 -2.685 1.00 0.00 H new ATOM 659 N LYS A 40 -16.833 2.929 -5.593 1.00 0.00 N ATOM 660 CA LYS A 40 -16.513 2.903 -7.016 1.00 0.00 C ATOM 661 C LYS A 40 -16.682 4.274 -7.648 1.00 0.00 C ATOM 662 O LYS A 40 -16.299 4.501 -8.796 1.00 0.00 O ATOM 663 CB LYS A 40 -17.367 1.867 -7.748 1.00 0.00 C ATOM 664 CG LYS A 40 -18.842 2.229 -7.818 1.00 0.00 C ATOM 665 CD LYS A 40 -19.127 3.181 -8.968 1.00 0.00 C ATOM 666 CE LYS A 40 -20.476 2.896 -9.607 1.00 0.00 C ATOM 667 NZ LYS A 40 -20.335 2.196 -10.913 1.00 0.00 N ATOM 0 H LYS A 40 -17.606 2.322 -5.320 1.00 0.00 H new ATOM 0 HA LYS A 40 -15.466 2.617 -7.111 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -16.984 1.744 -8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -17.262 0.904 -7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -19.435 1.322 -7.939 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.150 2.688 -6.879 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -19.105 4.208 -8.605 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.342 3.092 -9.719 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.076 2.286 -8.931 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -21.013 3.833 -9.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -21.277 2.020 -11.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.784 2.788 -11.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.845 1.290 -10.770 1.00 0.00 H new ATOM 681 N GLY A 41 -17.249 5.176 -6.882 1.00 0.00 N ATOM 682 CA GLY A 41 -17.469 6.527 -7.344 1.00 0.00 C ATOM 683 C GLY A 41 -16.183 7.319 -7.440 1.00 0.00 C ATOM 684 O GLY A 41 -15.810 7.778 -8.520 1.00 0.00 O ATOM 0 H GLY A 41 -17.568 4.997 -5.930 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -17.950 6.500 -8.322 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -18.155 7.033 -6.665 1.00 0.00 H new ATOM 688 N VAL A 42 -15.500 7.491 -6.308 1.00 0.00 N ATOM 689 CA VAL A 42 -14.252 8.250 -6.295 1.00 0.00 C ATOM 690 C VAL A 42 -13.303 7.800 -5.187 1.00 0.00 C ATOM 691 O VAL A 42 -13.724 7.238 -4.175 1.00 0.00 O ATOM 692 CB VAL A 42 -14.522 9.758 -6.128 1.00 0.00 C ATOM 693 CG1 VAL A 42 -13.241 10.557 -6.318 1.00 0.00 C ATOM 694 CG2 VAL A 42 -15.596 10.223 -7.100 1.00 0.00 C ATOM 0 H VAL A 42 -15.785 7.121 -5.401 1.00 0.00 H new ATOM 0 HA VAL A 42 -13.776 8.059 -7.257 1.00 0.00 H new ATOM 0 HB VAL A 42 -14.884 9.930 -5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.453 11.619 -6.196 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -12.505 10.247 -5.576 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.846 10.378 -7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -15.771 11.290 -6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.267 10.035 -8.122 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -16.520 9.677 -6.910 1.00 0.00 H new ATOM 704 N PHE A 43 -12.015 8.077 -5.387 1.00 0.00 N ATOM 705 CA PHE A 43 -10.981 7.740 -4.415 1.00 0.00 C ATOM 706 C PHE A 43 -11.258 8.410 -3.070 1.00 0.00 C ATOM 707 O PHE A 43 -12.125 9.277 -2.961 1.00 0.00 O ATOM 708 CB PHE A 43 -9.620 8.213 -4.928 1.00 0.00 C ATOM 709 CG PHE A 43 -8.943 7.251 -5.858 1.00 0.00 C ATOM 710 CD1 PHE A 43 -8.358 6.095 -5.373 1.00 0.00 C ATOM 711 CD2 PHE A 43 -8.885 7.510 -7.218 1.00 0.00 C ATOM 712 CE1 PHE A 43 -7.727 5.211 -6.227 1.00 0.00 C ATOM 713 CE2 PHE A 43 -8.256 6.632 -8.077 1.00 0.00 C ATOM 714 CZ PHE A 43 -7.677 5.480 -7.581 1.00 0.00 C ATOM 0 H PHE A 43 -11.662 8.540 -6.225 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.981 6.658 -4.281 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.749 9.166 -5.441 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.967 8.396 -4.075 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.395 5.881 -4.315 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -9.337 8.409 -7.610 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -7.274 4.312 -5.837 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.216 6.845 -9.135 1.00 0.00 H new ATOM 0 HZ PHE A 43 -7.186 4.790 -8.251 1.00 0.00 H new ATOM 724 N ASP A 44 -10.494 8.016 -2.053 1.00 0.00 N ATOM 725 CA ASP A 44 -10.634 8.580 -0.714 1.00 0.00 C ATOM 726 C ASP A 44 -9.557 9.634 -0.458 1.00 0.00 C ATOM 727 O ASP A 44 -8.370 9.318 -0.387 1.00 0.00 O ATOM 728 CB ASP A 44 -10.541 7.470 0.337 1.00 0.00 C ATOM 729 CG ASP A 44 -11.136 7.884 1.668 1.00 0.00 C ATOM 730 OD1 ASP A 44 -10.510 8.707 2.367 1.00 0.00 O ATOM 731 OD2 ASP A 44 -12.230 7.385 2.011 1.00 0.00 O ATOM 0 H ASP A 44 -9.768 7.304 -2.133 1.00 0.00 H new ATOM 0 HA ASP A 44 -11.611 9.058 -0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.058 6.583 -0.029 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.496 7.194 0.479 1.00 0.00 H new ATOM 736 N ASP A 45 -9.979 10.887 -0.329 1.00 0.00 N ATOM 737 CA ASP A 45 -9.052 11.992 -0.098 1.00 0.00 C ATOM 738 C ASP A 45 -8.490 11.983 1.325 1.00 0.00 C ATOM 739 O ASP A 45 -7.468 12.613 1.594 1.00 0.00 O ATOM 740 CB ASP A 45 -9.752 13.324 -0.364 1.00 0.00 C ATOM 741 CG ASP A 45 -11.046 13.461 0.416 1.00 0.00 C ATOM 742 OD1 ASP A 45 -11.071 13.057 1.598 1.00 0.00 O ATOM 743 OD2 ASP A 45 -12.032 13.972 -0.154 1.00 0.00 O ATOM 0 H ASP A 45 -10.959 11.165 -0.380 1.00 0.00 H new ATOM 0 HA ASP A 45 -8.217 11.866 -0.787 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.083 14.143 -0.100 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -9.962 13.415 -1.430 1.00 0.00 H new ATOM 748 N GLU A 46 -9.160 11.280 2.234 1.00 0.00 N ATOM 749 CA GLU A 46 -8.711 11.215 3.623 1.00 0.00 C ATOM 750 C GLU A 46 -7.420 10.413 3.747 1.00 0.00 C ATOM 751 O GLU A 46 -6.382 10.944 4.145 1.00 0.00 O ATOM 752 CB GLU A 46 -9.796 10.599 4.509 1.00 0.00 C ATOM 753 CG GLU A 46 -11.174 11.205 4.295 1.00 0.00 C ATOM 754 CD GLU A 46 -11.900 11.478 5.598 1.00 0.00 C ATOM 755 OE1 GLU A 46 -11.224 11.613 6.640 1.00 0.00 O ATOM 756 OE2 GLU A 46 -13.147 11.558 5.577 1.00 0.00 O ATOM 0 H GLU A 46 -10.009 10.751 2.037 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.515 12.234 3.958 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.846 9.527 4.316 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.513 10.722 5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.075 12.136 3.737 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.773 10.530 3.684 1.00 0.00 H new ATOM 763 N LYS A 47 -7.493 9.133 3.407 1.00 0.00 N ATOM 764 CA LYS A 47 -6.328 8.261 3.479 1.00 0.00 C ATOM 765 C LYS A 47 -5.254 8.721 2.500 1.00 0.00 C ATOM 766 O LYS A 47 -4.065 8.712 2.815 1.00 0.00 O ATOM 767 CB LYS A 47 -6.727 6.815 3.187 1.00 0.00 C ATOM 768 CG LYS A 47 -7.664 6.222 4.225 1.00 0.00 C ATOM 769 CD LYS A 47 -6.964 6.022 5.560 1.00 0.00 C ATOM 770 CE LYS A 47 -7.921 6.211 6.725 1.00 0.00 C ATOM 771 NZ LYS A 47 -7.288 5.860 8.027 1.00 0.00 N ATOM 0 H LYS A 47 -8.344 8.676 3.079 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.921 8.314 4.489 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.206 6.769 2.209 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.827 6.203 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.523 6.879 4.359 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.047 5.266 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.534 5.021 5.600 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.138 6.728 5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.258 7.247 6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.805 5.592 6.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.974 6.003 8.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.989 4.864 8.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.459 6.468 8.185 1.00 0.00 H new ATOM 785 N ILE A 48 -5.687 9.134 1.313 1.00 0.00 N ATOM 786 CA ILE A 48 -4.772 9.611 0.288 1.00 0.00 C ATOM 787 C ILE A 48 -4.100 10.910 0.728 1.00 0.00 C ATOM 788 O ILE A 48 -2.977 11.207 0.322 1.00 0.00 O ATOM 789 CB ILE A 48 -5.513 9.833 -1.051 1.00 0.00 C ATOM 790 CG1 ILE A 48 -5.875 8.489 -1.686 1.00 0.00 C ATOM 791 CG2 ILE A 48 -4.678 10.668 -2.014 1.00 0.00 C ATOM 792 CD1 ILE A 48 -7.049 8.570 -2.633 1.00 0.00 C ATOM 0 H ILE A 48 -6.669 9.147 1.039 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.007 8.848 0.143 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.430 10.383 -0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.009 8.105 -2.225 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -6.103 7.772 -0.897 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.227 10.806 -2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.471 11.640 -1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.738 10.156 -2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -7.251 7.582 -3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -7.928 8.924 -2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.817 9.262 -3.442 1.00 0.00 H new ATOM 804 N ALA A 49 -4.793 11.680 1.563 1.00 0.00 N ATOM 805 CA ALA A 49 -4.255 12.941 2.057 1.00 0.00 C ATOM 806 C ALA A 49 -3.017 12.700 2.911 1.00 0.00 C ATOM 807 O ALA A 49 -1.979 13.329 2.707 1.00 0.00 O ATOM 808 CB ALA A 49 -5.309 13.696 2.852 1.00 0.00 C ATOM 0 H ALA A 49 -5.725 11.453 1.910 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.967 13.549 1.199 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.889 14.635 3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.167 13.904 2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.627 13.091 3.701 1.00 0.00 H new ATOM 814 N GLU A 50 -3.134 11.781 3.865 1.00 0.00 N ATOM 815 CA GLU A 50 -2.019 11.451 4.746 1.00 0.00 C ATOM 816 C GLU A 50 -0.825 10.962 3.933 1.00 0.00 C ATOM 817 O GLU A 50 0.324 11.269 4.250 1.00 0.00 O ATOM 818 CB GLU A 50 -2.441 10.383 5.761 1.00 0.00 C ATOM 819 CG GLU A 50 -1.278 9.776 6.533 1.00 0.00 C ATOM 820 CD GLU A 50 -1.486 9.818 8.034 1.00 0.00 C ATOM 821 OE1 GLU A 50 -1.427 10.924 8.610 1.00 0.00 O ATOM 822 OE2 GLU A 50 -1.706 8.744 8.634 1.00 0.00 O ATOM 0 H GLU A 50 -3.987 11.253 4.047 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.727 12.351 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.143 10.824 6.468 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.972 9.588 5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.139 8.742 6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.362 10.311 6.282 1.00 0.00 H new ATOM 829 N LEU A 51 -1.108 10.205 2.879 1.00 0.00 N ATOM 830 CA LEU A 51 -0.063 9.672 2.016 1.00 0.00 C ATOM 831 C LEU A 51 0.792 10.799 1.446 1.00 0.00 C ATOM 832 O LEU A 51 2.020 10.765 1.529 1.00 0.00 O ATOM 833 CB LEU A 51 -0.688 8.857 0.879 1.00 0.00 C ATOM 834 CG LEU A 51 0.254 8.502 -0.272 1.00 0.00 C ATOM 835 CD1 LEU A 51 1.592 8.015 0.260 1.00 0.00 C ATOM 836 CD2 LEU A 51 -0.380 7.447 -1.167 1.00 0.00 C ATOM 0 H LEU A 51 -2.055 9.947 2.602 1.00 0.00 H new ATOM 0 HA LEU A 51 0.579 9.021 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.089 7.933 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.532 9.417 0.475 1.00 0.00 H new ATOM 0 HG LEU A 51 0.429 9.401 -0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.247 7.768 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.051 8.799 0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.438 7.128 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.302 7.204 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.583 6.549 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.314 7.831 -1.577 1.00 0.00 H new ATOM 848 N LEU A 52 0.133 11.799 0.871 1.00 0.00 N ATOM 849 CA LEU A 52 0.822 12.941 0.290 1.00 0.00 C ATOM 850 C LEU A 52 1.786 13.575 1.282 1.00 0.00 C ATOM 851 O LEU A 52 2.933 13.876 0.950 1.00 0.00 O ATOM 852 CB LEU A 52 -0.196 13.944 -0.171 1.00 0.00 C ATOM 853 CG LEU A 52 -0.981 13.468 -1.374 1.00 0.00 C ATOM 854 CD1 LEU A 52 -2.045 14.465 -1.695 1.00 0.00 C ATOM 855 CD2 LEU A 52 -0.061 13.252 -2.564 1.00 0.00 C ATOM 0 H LEU A 52 -0.883 11.840 0.796 1.00 0.00 H new ATOM 0 HA LEU A 52 1.413 12.599 -0.559 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.885 14.158 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.307 14.879 -0.417 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.450 12.511 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.613 14.125 -2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.714 14.570 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.586 15.428 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.645 12.910 -3.418 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.435 14.190 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.688 12.501 -2.313 1.00 0.00 H new ATOM 867 N THR A 53 1.309 13.769 2.506 1.00 0.00 N ATOM 868 CA THR A 53 2.121 14.363 3.561 1.00 0.00 C ATOM 869 C THR A 53 3.322 13.478 3.879 1.00 0.00 C ATOM 870 O THR A 53 4.408 13.972 4.181 1.00 0.00 O ATOM 871 CB THR A 53 1.279 14.577 4.820 1.00 0.00 C ATOM 872 OG1 THR A 53 0.166 15.409 4.543 1.00 0.00 O ATOM 873 CG2 THR A 53 2.051 15.207 5.959 1.00 0.00 C ATOM 0 H THR A 53 0.362 13.523 2.793 1.00 0.00 H new ATOM 0 HA THR A 53 2.486 15.329 3.210 1.00 0.00 H new ATOM 0 HB THR A 53 0.962 13.580 5.127 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.361 15.533 5.360 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.394 15.330 6.820 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.888 14.564 6.231 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.428 16.181 5.648 1.00 0.00 H new ATOM 881 N LYS A 54 3.118 12.166 3.808 1.00 0.00 N ATOM 882 CA LYS A 54 4.183 11.210 4.087 1.00 0.00 C ATOM 883 C LYS A 54 5.289 11.311 3.041 1.00 0.00 C ATOM 884 O LYS A 54 6.472 11.205 3.363 1.00 0.00 O ATOM 885 CB LYS A 54 3.625 9.786 4.120 1.00 0.00 C ATOM 886 CG LYS A 54 2.724 9.512 5.314 1.00 0.00 C ATOM 887 CD LYS A 54 3.528 9.083 6.531 1.00 0.00 C ATOM 888 CE LYS A 54 3.490 7.575 6.720 1.00 0.00 C ATOM 889 NZ LYS A 54 3.506 7.194 8.159 1.00 0.00 N ATOM 0 H LYS A 54 2.225 11.741 3.560 1.00 0.00 H new ATOM 0 HA LYS A 54 4.605 11.448 5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 54 3.065 9.603 3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.455 9.080 4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.151 10.408 5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 54 2.006 8.733 5.058 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.562 9.411 6.420 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.132 9.572 7.421 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.594 7.173 6.248 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.345 7.125 6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.479 6.158 8.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.374 7.556 8.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.677 7.602 8.635 1.00 0.00 H new ATOM 903 N LEU A 55 4.894 11.518 1.790 1.00 0.00 N ATOM 904 CA LEU A 55 5.850 11.637 0.696 1.00 0.00 C ATOM 905 C LEU A 55 6.808 12.800 0.935 1.00 0.00 C ATOM 906 O LEU A 55 7.992 12.600 1.204 1.00 0.00 O ATOM 907 CB LEU A 55 5.114 11.836 -0.630 1.00 0.00 C ATOM 908 CG LEU A 55 4.238 10.665 -1.085 1.00 0.00 C ATOM 909 CD1 LEU A 55 4.348 10.481 -2.587 1.00 0.00 C ATOM 910 CD2 LEU A 55 4.620 9.374 -0.371 1.00 0.00 C ATOM 0 H LEU A 55 3.918 11.607 1.508 1.00 0.00 H new ATOM 0 HA LEU A 55 6.429 10.715 0.650 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.487 12.724 -0.547 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.851 12.038 -1.407 1.00 0.00 H new ATOM 0 HG LEU A 55 3.206 10.900 -0.826 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.721 9.646 -2.898 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.018 11.390 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.385 10.275 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.979 8.563 -0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.660 9.132 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.494 9.502 0.704 1.00 0.00 H new ATOM 922 N GLY A 56 6.280 14.016 0.836 1.00 0.00 N ATOM 923 CA GLY A 56 7.093 15.200 1.042 1.00 0.00 C ATOM 924 C GLY A 56 6.265 16.471 1.032 1.00 0.00 C ATOM 925 O GLY A 56 5.531 16.746 1.980 1.00 0.00 O ATOM 0 H GLY A 56 5.302 14.202 0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 56 7.618 15.117 1.994 1.00 0.00 H new ATOM 0 HA3 GLY A 56 7.853 15.257 0.263 1.00 0.00 H new ATOM 929 N ARG A 57 6.381 17.246 -0.042 1.00 0.00 N ATOM 930 CA ARG A 57 5.631 18.491 -0.169 1.00 0.00 C ATOM 931 C ARG A 57 5.339 18.807 -1.630 1.00 0.00 C ATOM 932 O ARG A 57 5.272 19.971 -2.025 1.00 0.00 O ATOM 933 CB ARG A 57 6.400 19.646 0.474 1.00 0.00 C ATOM 934 CG ARG A 57 6.731 19.415 1.938 1.00 0.00 C ATOM 935 CD ARG A 57 7.536 20.568 2.516 1.00 0.00 C ATOM 936 NE ARG A 57 6.705 21.745 2.764 1.00 0.00 N ATOM 937 CZ ARG A 57 7.181 22.907 3.204 1.00 0.00 C ATOM 938 NH1 ARG A 57 8.478 23.053 3.448 1.00 0.00 N ATOM 939 NH2 ARG A 57 6.358 23.928 3.402 1.00 0.00 N ATOM 0 H ARG A 57 6.986 17.034 -0.836 1.00 0.00 H new ATOM 0 HA ARG A 57 4.681 18.365 0.351 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.326 19.807 -0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 57 5.811 20.559 0.383 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.809 19.293 2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.295 18.488 2.043 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.005 20.252 3.448 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.340 20.830 1.828 1.00 0.00 H new ATOM 0 HE ARG A 57 5.703 21.671 2.590 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.116 22.272 3.298 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.836 23.947 3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.361 23.822 3.217 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.723 24.819 3.739 1.00 0.00 H new ATOM 953 N ASP A 58 5.161 17.760 -2.425 1.00 0.00 N ATOM 954 CA ASP A 58 4.870 17.912 -3.845 1.00 0.00 C ATOM 955 C ASP A 58 3.533 17.249 -4.189 1.00 0.00 C ATOM 956 O ASP A 58 2.605 17.258 -3.381 1.00 0.00 O ATOM 957 CB ASP A 58 6.010 17.313 -4.678 1.00 0.00 C ATOM 958 CG ASP A 58 7.377 17.744 -4.183 1.00 0.00 C ATOM 959 OD1 ASP A 58 7.692 18.948 -4.282 1.00 0.00 O ATOM 960 OD2 ASP A 58 8.132 16.876 -3.697 1.00 0.00 O ATOM 0 H ASP A 58 5.213 16.792 -2.109 1.00 0.00 H new ATOM 0 HA ASP A 58 4.790 18.973 -4.081 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.943 16.225 -4.651 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.892 17.614 -5.719 1.00 0.00 H new ATOM 965 N THR A 59 3.438 16.676 -5.386 1.00 0.00 N ATOM 966 CA THR A 59 2.214 16.011 -5.822 1.00 0.00 C ATOM 967 C THR A 59 2.479 14.540 -6.129 1.00 0.00 C ATOM 968 O THR A 59 3.627 14.103 -6.176 1.00 0.00 O ATOM 969 CB THR A 59 1.637 16.708 -7.057 1.00 0.00 C ATOM 970 OG1 THR A 59 0.678 15.883 -7.694 1.00 0.00 O ATOM 971 CG2 THR A 59 2.685 17.072 -8.086 1.00 0.00 C ATOM 0 H THR A 59 4.194 16.659 -6.071 1.00 0.00 H new ATOM 0 HA THR A 59 1.488 16.072 -5.011 1.00 0.00 H new ATOM 0 HB THR A 59 1.185 17.627 -6.684 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.319 16.346 -8.480 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.207 17.562 -8.934 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.414 17.748 -7.639 1.00 0.00 H new ATOM 0 HG23 THR A 59 3.190 16.168 -8.427 1.00 0.00 H new ATOM 979 N GLN A 60 1.407 13.782 -6.340 1.00 0.00 N ATOM 980 CA GLN A 60 1.526 12.366 -6.645 1.00 0.00 C ATOM 981 C GLN A 60 2.107 12.172 -8.035 1.00 0.00 C ATOM 982 O GLN A 60 1.403 12.249 -9.040 1.00 0.00 O ATOM 983 CB GLN A 60 0.165 11.679 -6.549 1.00 0.00 C ATOM 984 CG GLN A 60 -0.917 12.351 -7.379 1.00 0.00 C ATOM 985 CD GLN A 60 -2.190 12.596 -6.592 1.00 0.00 C ATOM 986 OE1 GLN A 60 -2.206 13.380 -5.644 1.00 0.00 O ATOM 987 NE2 GLN A 60 -3.266 11.924 -6.983 1.00 0.00 N ATOM 0 H GLN A 60 0.448 14.127 -6.305 1.00 0.00 H new ATOM 0 HA GLN A 60 2.197 11.915 -5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.267 10.643 -6.871 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -0.149 11.659 -5.506 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.541 13.301 -7.759 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.144 11.729 -8.245 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.208 11.284 -7.775 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.151 12.048 -6.492 1.00 0.00 H new ATOM 996 N ILE A 61 3.402 11.920 -8.071 1.00 0.00 N ATOM 997 CA ILE A 61 4.116 11.712 -9.325 1.00 0.00 C ATOM 998 C ILE A 61 3.907 10.300 -9.854 1.00 0.00 C ATOM 999 O ILE A 61 4.715 9.406 -9.604 1.00 0.00 O ATOM 1000 CB ILE A 61 5.628 11.967 -9.163 1.00 0.00 C ATOM 1001 CG1 ILE A 61 5.868 13.286 -8.424 1.00 0.00 C ATOM 1002 CG2 ILE A 61 6.310 11.983 -10.522 1.00 0.00 C ATOM 1003 CD1 ILE A 61 7.333 13.600 -8.215 1.00 0.00 C ATOM 0 H ILE A 61 3.989 11.853 -7.240 1.00 0.00 H new ATOM 0 HA ILE A 61 3.708 12.428 -10.039 1.00 0.00 H new ATOM 0 HB ILE A 61 6.058 11.158 -8.572 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.407 14.098 -8.986 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.371 13.247 -7.455 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.377 12.164 -10.392 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.163 11.022 -11.014 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.880 12.775 -11.136 1.00 0.00 H new ATOM 0 HD11 ILE A 61 7.430 14.548 -7.686 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.795 12.807 -7.627 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.831 13.672 -9.182 1.00 0.00 H new ATOM 1015 N GLY A 62 2.818 10.106 -10.588 1.00 0.00 N ATOM 1016 CA GLY A 62 2.520 8.800 -11.145 1.00 0.00 C ATOM 1017 C GLY A 62 2.451 7.720 -10.085 1.00 0.00 C ATOM 1018 O GLY A 62 2.728 6.553 -10.358 1.00 0.00 O ATOM 0 H GLY A 62 2.135 10.831 -10.808 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.570 8.844 -11.677 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.284 8.538 -11.877 1.00 0.00 H new ATOM 1022 N LEU A 63 2.086 8.116 -8.869 1.00 0.00 N ATOM 1023 CA LEU A 63 1.981 7.177 -7.753 1.00 0.00 C ATOM 1024 C LEU A 63 1.223 5.916 -8.163 1.00 0.00 C ATOM 1025 O LEU A 63 0.086 5.985 -8.630 1.00 0.00 O ATOM 1026 CB LEU A 63 1.286 7.845 -6.564 1.00 0.00 C ATOM 1027 CG LEU A 63 2.222 8.395 -5.484 1.00 0.00 C ATOM 1028 CD1 LEU A 63 2.710 7.274 -4.579 1.00 0.00 C ATOM 1029 CD2 LEU A 63 3.402 9.123 -6.114 1.00 0.00 C ATOM 0 H LEU A 63 1.858 9.081 -8.630 1.00 0.00 H new ATOM 0 HA LEU A 63 2.990 6.886 -7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.669 8.662 -6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.613 7.121 -6.104 1.00 0.00 H new ATOM 0 HG LEU A 63 1.663 9.109 -4.879 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.374 7.684 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.856 6.797 -4.097 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.250 6.536 -5.172 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.054 9.506 -5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.961 8.432 -6.745 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.037 9.953 -6.719 1.00 0.00 H new ATOM 1041 N THR A 64 1.867 4.768 -7.988 1.00 0.00 N ATOM 1042 CA THR A 64 1.261 3.490 -8.342 1.00 0.00 C ATOM 1043 C THR A 64 0.801 2.738 -7.098 1.00 0.00 C ATOM 1044 O THR A 64 1.513 2.679 -6.097 1.00 0.00 O ATOM 1045 CB THR A 64 2.250 2.633 -9.134 1.00 0.00 C ATOM 1046 OG1 THR A 64 3.498 2.565 -8.468 1.00 0.00 O ATOM 1047 CG2 THR A 64 2.504 3.149 -10.534 1.00 0.00 C ATOM 0 H THR A 64 2.809 4.696 -7.603 1.00 0.00 H new ATOM 0 HA THR A 64 0.388 3.693 -8.963 1.00 0.00 H new ATOM 0 HB THR A 64 1.786 1.649 -9.207 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.117 2.011 -8.989 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.214 2.495 -11.040 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.567 3.167 -11.091 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.914 4.158 -10.481 1.00 0.00 H new ATOM 1055 N MET A 65 -0.394 2.164 -7.170 1.00 0.00 N ATOM 1056 CA MET A 65 -0.954 1.413 -6.056 1.00 0.00 C ATOM 1057 C MET A 65 -0.836 -0.086 -6.303 1.00 0.00 C ATOM 1058 O MET A 65 -0.812 -0.530 -7.451 1.00 0.00 O ATOM 1059 CB MET A 65 -2.420 1.795 -5.848 1.00 0.00 C ATOM 1060 CG MET A 65 -2.648 3.294 -5.740 1.00 0.00 C ATOM 1061 SD MET A 65 -1.986 3.990 -4.215 1.00 0.00 S ATOM 1062 CE MET A 65 -2.310 5.732 -4.472 1.00 0.00 C ATOM 0 H MET A 65 -0.995 2.206 -7.993 1.00 0.00 H new ATOM 0 HA MET A 65 -0.390 1.661 -5.157 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.010 1.405 -6.678 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.787 1.314 -4.942 1.00 0.00 H new ATOM 0 HG2 MET A 65 -2.184 3.790 -6.592 1.00 0.00 H new ATOM 0 HG3 MET A 65 -3.717 3.500 -5.794 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.618 6.323 -3.872 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.175 5.976 -5.526 1.00 0.00 H new ATOM 0 HE3 MET A 65 -3.334 5.959 -4.175 1.00 0.00 H new ATOM 1072 N PRO A 66 -0.754 -0.894 -5.230 1.00 0.00 N ATOM 1073 CA PRO A 66 -0.776 -0.426 -3.842 1.00 0.00 C ATOM 1074 C PRO A 66 0.597 0.029 -3.353 1.00 0.00 C ATOM 1075 O PRO A 66 1.617 -0.562 -3.704 1.00 0.00 O ATOM 1076 CB PRO A 66 -1.223 -1.668 -3.052 1.00 0.00 C ATOM 1077 CG PRO A 66 -1.414 -2.756 -4.063 1.00 0.00 C ATOM 1078 CD PRO A 66 -0.640 -2.346 -5.280 1.00 0.00 C ATOM 0 HA PRO A 66 -1.427 0.440 -3.723 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.474 -1.950 -2.313 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.148 -1.473 -2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.055 -3.711 -3.678 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.470 -2.885 -4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.398 -2.677 -5.235 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.067 -2.758 -6.194 1.00 0.00 H new ATOM 1086 N GLN A 67 0.612 1.061 -2.514 1.00 0.00 N ATOM 1087 CA GLN A 67 1.859 1.565 -1.955 1.00 0.00 C ATOM 1088 C GLN A 67 1.981 1.116 -0.509 1.00 0.00 C ATOM 1089 O GLN A 67 0.977 0.858 0.148 1.00 0.00 O ATOM 1090 CB GLN A 67 1.918 3.092 -2.039 1.00 0.00 C ATOM 1091 CG GLN A 67 2.004 3.623 -3.460 1.00 0.00 C ATOM 1092 CD GLN A 67 3.306 3.254 -4.148 1.00 0.00 C ATOM 1093 OE1 GLN A 67 4.023 2.355 -3.707 1.00 0.00 O ATOM 1094 NE2 GLN A 67 3.618 3.946 -5.237 1.00 0.00 N ATOM 0 H GLN A 67 -0.222 1.562 -2.208 1.00 0.00 H new ATOM 0 HA GLN A 67 2.691 1.163 -2.534 1.00 0.00 H new ATOM 0 HB2 GLN A 67 1.033 3.508 -1.558 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.782 3.445 -1.476 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.168 3.232 -4.040 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.901 4.708 -3.444 1.00 0.00 H new ATOM 0 HE21 GLN A 67 2.996 4.683 -5.569 1.00 0.00 H new ATOM 0 HE22 GLN A 67 4.480 3.741 -5.742 1.00 0.00 H new ATOM 1103 N VAL A 68 3.203 1.008 -0.010 1.00 0.00 N ATOM 1104 CA VAL A 68 3.401 0.571 1.363 1.00 0.00 C ATOM 1105 C VAL A 68 4.198 1.592 2.163 1.00 0.00 C ATOM 1106 O VAL A 68 4.908 2.422 1.598 1.00 0.00 O ATOM 1107 CB VAL A 68 4.115 -0.796 1.428 1.00 0.00 C ATOM 1108 CG1 VAL A 68 3.854 -1.468 2.767 1.00 0.00 C ATOM 1109 CG2 VAL A 68 3.677 -1.694 0.279 1.00 0.00 C ATOM 0 H VAL A 68 4.059 1.213 -0.525 1.00 0.00 H new ATOM 0 HA VAL A 68 2.409 0.471 1.803 1.00 0.00 H new ATOM 0 HB VAL A 68 5.187 -0.626 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.364 -2.431 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.228 -0.834 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.782 -1.621 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.194 -2.651 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.601 -1.858 0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 68 3.922 -1.216 -0.670 1.00 0.00 H new ATOM 1119 N PHE A 69 4.078 1.518 3.484 1.00 0.00 N ATOM 1120 CA PHE A 69 4.790 2.437 4.366 1.00 0.00 C ATOM 1121 C PHE A 69 5.274 1.721 5.623 1.00 0.00 C ATOM 1122 O PHE A 69 4.528 0.973 6.255 1.00 0.00 O ATOM 1123 CB PHE A 69 3.891 3.613 4.743 1.00 0.00 C ATOM 1124 CG PHE A 69 3.907 4.716 3.726 1.00 0.00 C ATOM 1125 CD1 PHE A 69 4.837 5.738 3.813 1.00 0.00 C ATOM 1126 CD2 PHE A 69 3.000 4.725 2.678 1.00 0.00 C ATOM 1127 CE1 PHE A 69 4.862 6.751 2.873 1.00 0.00 C ATOM 1128 CE2 PHE A 69 3.020 5.735 1.737 1.00 0.00 C ATOM 1129 CZ PHE A 69 3.951 6.750 1.833 1.00 0.00 C ATOM 0 H PHE A 69 3.496 0.833 3.967 1.00 0.00 H new ATOM 0 HA PHE A 69 5.661 2.815 3.831 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.869 3.256 4.867 1.00 0.00 H new ATOM 0 HB3 PHE A 69 4.209 4.011 5.707 1.00 0.00 H new ATOM 0 HD1 PHE A 69 5.550 5.744 4.624 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.270 3.933 2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.593 7.543 2.951 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.307 5.731 0.926 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.968 7.541 1.098 1.00 0.00 H new ATOM 1139 N ALA A 70 6.540 1.945 5.965 1.00 0.00 N ATOM 1140 CA ALA A 70 7.152 1.313 7.128 1.00 0.00 C ATOM 1141 C ALA A 70 6.518 1.776 8.438 1.00 0.00 C ATOM 1142 O ALA A 70 6.039 2.904 8.547 1.00 0.00 O ATOM 1143 CB ALA A 70 8.648 1.589 7.145 1.00 0.00 C ATOM 0 H ALA A 70 7.165 2.564 5.449 1.00 0.00 H new ATOM 0 HA ALA A 70 6.978 0.240 7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.096 1.113 8.017 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.102 1.188 6.239 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.819 2.665 7.191 1.00 0.00 H new ATOM 1149 N PRO A 71 6.519 0.896 9.458 1.00 0.00 N ATOM 1150 CA PRO A 71 5.956 1.197 10.781 1.00 0.00 C ATOM 1151 C PRO A 71 6.378 2.567 11.304 1.00 0.00 C ATOM 1152 O PRO A 71 5.565 3.310 11.855 1.00 0.00 O ATOM 1153 CB PRO A 71 6.552 0.090 11.649 1.00 0.00 C ATOM 1154 CG PRO A 71 6.672 -1.065 10.723 1.00 0.00 C ATOM 1155 CD PRO A 71 7.081 -0.470 9.403 1.00 0.00 C ATOM 0 HA PRO A 71 4.867 1.230 10.770 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.521 0.379 12.055 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.908 -0.143 12.497 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.413 -1.780 11.079 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.727 -1.601 10.638 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.165 -0.455 9.287 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.678 -1.037 8.564 1.00 0.00 H new ATOM 1163 N ASP A 72 7.654 2.893 11.132 1.00 0.00 N ATOM 1164 CA ASP A 72 8.187 4.171 11.591 1.00 0.00 C ATOM 1165 C ASP A 72 7.681 5.321 10.726 1.00 0.00 C ATOM 1166 O ASP A 72 7.555 6.453 11.196 1.00 0.00 O ATOM 1167 CB ASP A 72 9.715 4.139 11.582 1.00 0.00 C ATOM 1168 CG ASP A 72 10.306 4.312 12.967 1.00 0.00 C ATOM 1169 OD1 ASP A 72 9.667 4.984 13.805 1.00 0.00 O ATOM 1170 OD2 ASP A 72 11.406 3.777 13.215 1.00 0.00 O ATOM 0 H ASP A 72 8.339 2.290 10.678 1.00 0.00 H new ATOM 0 HA ASP A 72 7.839 4.335 12.611 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.053 3.192 11.162 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.088 4.929 10.930 1.00 0.00 H new ATOM 1175 N GLY A 73 7.398 5.030 9.461 1.00 0.00 N ATOM 1176 CA GLY A 73 6.914 6.055 8.557 1.00 0.00 C ATOM 1177 C GLY A 73 7.886 6.339 7.430 1.00 0.00 C ATOM 1178 O GLY A 73 8.633 7.316 7.476 1.00 0.00 O ATOM 0 H GLY A 73 7.495 4.103 9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.957 5.743 8.138 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.733 6.973 9.117 1.00 0.00 H new ATOM 1182 N SER A 74 7.881 5.481 6.415 1.00 0.00 N ATOM 1183 CA SER A 74 8.770 5.646 5.270 1.00 0.00 C ATOM 1184 C SER A 74 8.280 4.830 4.077 1.00 0.00 C ATOM 1185 O SER A 74 8.031 3.629 4.193 1.00 0.00 O ATOM 1186 CB SER A 74 10.194 5.225 5.639 1.00 0.00 C ATOM 1187 OG SER A 74 10.360 5.163 7.046 1.00 0.00 O ATOM 0 H SER A 74 7.272 4.665 6.362 1.00 0.00 H new ATOM 0 HA SER A 74 8.770 6.700 4.991 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.414 4.252 5.201 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.907 5.933 5.217 1.00 0.00 H new ATOM 0 HG SER A 74 11.278 4.890 7.255 1.00 0.00 H new ATOM 1193 N HIS A 75 8.141 5.490 2.931 1.00 0.00 N ATOM 1194 CA HIS A 75 7.679 4.828 1.716 1.00 0.00 C ATOM 1195 C HIS A 75 8.602 3.673 1.341 1.00 0.00 C ATOM 1196 O HIS A 75 9.735 3.886 0.909 1.00 0.00 O ATOM 1197 CB HIS A 75 7.605 5.830 0.562 1.00 0.00 C ATOM 1198 CG HIS A 75 6.574 5.485 -0.467 1.00 0.00 C ATOM 1199 ND1 HIS A 75 6.662 5.846 -1.794 1.00 0.00 N ATOM 1200 CD2 HIS A 75 5.411 4.795 -0.344 1.00 0.00 C ATOM 1201 CE1 HIS A 75 5.575 5.376 -2.420 1.00 0.00 C ATOM 1202 NE2 HIS A 75 4.785 4.729 -1.586 1.00 0.00 N ATOM 0 H HIS A 75 8.342 6.484 2.819 1.00 0.00 H new ATOM 0 HA HIS A 75 6.683 4.427 1.907 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.387 6.819 0.964 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.581 5.889 0.080 1.00 0.00 H new ATOM 0 HD1 HIS A 75 7.420 6.377 -2.223 1.00 0.00 H new ATOM 0 HD2 HIS A 75 5.032 4.366 0.572 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.372 5.510 -3.472 1.00 0.00 H new ATOM 1210 N ILE A 76 8.110 2.449 1.509 1.00 0.00 N ATOM 1211 CA ILE A 76 8.892 1.262 1.186 1.00 0.00 C ATOM 1212 C ILE A 76 8.838 0.964 -0.308 1.00 0.00 C ATOM 1213 O ILE A 76 9.847 0.606 -0.917 1.00 0.00 O ATOM 1214 CB ILE A 76 8.391 0.024 1.956 1.00 0.00 C ATOM 1215 CG1 ILE A 76 8.262 0.333 3.449 1.00 0.00 C ATOM 1216 CG2 ILE A 76 9.326 -1.155 1.731 1.00 0.00 C ATOM 1217 CD1 ILE A 76 6.999 -0.222 4.069 1.00 0.00 C ATOM 0 H ILE A 76 7.175 2.254 1.866 1.00 0.00 H new ATOM 0 HA ILE A 76 9.919 1.473 1.483 1.00 0.00 H new ATOM 0 HB ILE A 76 7.404 -0.242 1.577 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.126 -0.076 3.973 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.284 1.413 3.592 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.958 -2.021 2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 76 9.365 -1.391 0.667 1.00 0.00 H new ATOM 0 HG23 ILE A 76 10.325 -0.899 2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 76 6.971 0.033 5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.130 0.206 3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.984 -1.306 3.956 1.00 0.00 H new ATOM 1229 N GLY A 77 7.653 1.104 -0.891 1.00 0.00 N ATOM 1230 CA GLY A 77 7.490 0.838 -2.306 1.00 0.00 C ATOM 1231 C GLY A 77 6.396 -0.167 -2.583 1.00 0.00 C ATOM 1232 O GLY A 77 5.416 -0.257 -1.842 1.00 0.00 O ATOM 0 H GLY A 77 6.803 1.397 -0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.263 1.770 -2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.431 0.468 -2.714 1.00 0.00 H new ATOM 1236 N GLY A 78 6.565 -0.921 -3.659 1.00 0.00 N ATOM 1237 CA GLY A 78 5.585 -1.923 -4.029 1.00 0.00 C ATOM 1238 C GLY A 78 5.981 -3.314 -3.569 1.00 0.00 C ATOM 1239 O GLY A 78 6.373 -3.503 -2.419 1.00 0.00 O ATOM 0 H GLY A 78 7.367 -0.857 -4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 78 4.620 -1.661 -3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.460 -1.923 -5.112 1.00 0.00 H new ATOM 1243 N PHE A 79 5.885 -4.287 -4.468 1.00 0.00 N ATOM 1244 CA PHE A 79 6.243 -5.663 -4.143 1.00 0.00 C ATOM 1245 C PHE A 79 7.746 -5.878 -4.272 1.00 0.00 C ATOM 1246 O PHE A 79 8.436 -6.055 -3.271 1.00 0.00 O ATOM 1247 CB PHE A 79 5.480 -6.640 -5.032 1.00 0.00 C ATOM 1248 CG PHE A 79 5.233 -7.956 -4.359 1.00 0.00 C ATOM 1249 CD1 PHE A 79 6.274 -8.625 -3.750 1.00 0.00 C ATOM 1250 CD2 PHE A 79 3.971 -8.521 -4.332 1.00 0.00 C ATOM 1251 CE1 PHE A 79 6.069 -9.839 -3.127 1.00 0.00 C ATOM 1252 CE2 PHE A 79 3.757 -9.734 -3.709 1.00 0.00 C ATOM 1253 CZ PHE A 79 4.808 -10.394 -3.108 1.00 0.00 C ATOM 0 H PHE A 79 5.563 -4.149 -5.426 1.00 0.00 H new ATOM 0 HA PHE A 79 5.963 -5.851 -3.107 1.00 0.00 H new ATOM 0 HB2 PHE A 79 4.526 -6.197 -5.318 1.00 0.00 H new ATOM 0 HB3 PHE A 79 6.043 -6.805 -5.951 1.00 0.00 H new ATOM 0 HD1 PHE A 79 7.264 -8.193 -3.761 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.145 -8.008 -4.803 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.894 -10.352 -2.656 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.767 -10.166 -3.692 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.643 -11.345 -2.623 1.00 0.00 H new ATOM 1263 N ASP A 80 8.257 -5.849 -5.498 1.00 0.00 N ATOM 1264 CA ASP A 80 9.688 -6.037 -5.726 1.00 0.00 C ATOM 1265 C ASP A 80 10.499 -5.126 -4.809 1.00 0.00 C ATOM 1266 O ASP A 80 11.494 -5.543 -4.213 1.00 0.00 O ATOM 1267 CB ASP A 80 10.036 -5.747 -7.188 1.00 0.00 C ATOM 1268 CG ASP A 80 11.396 -6.297 -7.574 1.00 0.00 C ATOM 1269 OD1 ASP A 80 11.463 -7.467 -8.005 1.00 0.00 O ATOM 1270 OD2 ASP A 80 12.394 -5.557 -7.443 1.00 0.00 O ATOM 0 H ASP A 80 7.708 -5.698 -6.344 1.00 0.00 H new ATOM 0 HA ASP A 80 9.938 -7.074 -5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.274 -6.182 -7.834 1.00 0.00 H new ATOM 0 HB3 ASP A 80 10.020 -4.670 -7.357 1.00 0.00 H new ATOM 1275 N GLN A 81 10.054 -3.879 -4.700 1.00 0.00 N ATOM 1276 CA GLN A 81 10.723 -2.896 -3.858 1.00 0.00 C ATOM 1277 C GLN A 81 10.650 -3.300 -2.389 1.00 0.00 C ATOM 1278 O GLN A 81 11.629 -3.177 -1.652 1.00 0.00 O ATOM 1279 CB GLN A 81 10.093 -1.515 -4.054 1.00 0.00 C ATOM 1280 CG GLN A 81 11.100 -0.433 -4.412 1.00 0.00 C ATOM 1281 CD GLN A 81 10.515 0.628 -5.324 1.00 0.00 C ATOM 1282 OE1 GLN A 81 9.546 0.381 -6.043 1.00 0.00 O ATOM 1283 NE2 GLN A 81 11.102 1.819 -5.299 1.00 0.00 N ATOM 0 H GLN A 81 9.230 -3.525 -5.186 1.00 0.00 H new ATOM 0 HA GLN A 81 11.772 -2.853 -4.152 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.342 -1.576 -4.842 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.574 -1.228 -3.140 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.462 0.038 -3.498 1.00 0.00 H new ATOM 0 HG3 GLN A 81 11.962 -0.890 -4.898 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.903 1.980 -4.688 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.752 2.573 -5.891 1.00 0.00 H new ATOM 1292 N LEU A 82 9.482 -3.778 -1.965 1.00 0.00 N ATOM 1293 CA LEU A 82 9.291 -4.191 -0.582 1.00 0.00 C ATOM 1294 C LEU A 82 10.029 -5.484 -0.273 1.00 0.00 C ATOM 1295 O LEU A 82 10.657 -5.602 0.777 1.00 0.00 O ATOM 1296 CB LEU A 82 7.821 -4.341 -0.251 1.00 0.00 C ATOM 1297 CG LEU A 82 7.571 -4.666 1.212 1.00 0.00 C ATOM 1298 CD1 LEU A 82 6.564 -3.711 1.816 1.00 0.00 C ATOM 1299 CD2 LEU A 82 7.128 -6.102 1.349 1.00 0.00 C ATOM 0 H LEU A 82 8.659 -3.887 -2.558 1.00 0.00 H new ATOM 0 HA LEU A 82 9.710 -3.403 0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.301 -3.418 -0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.394 -5.129 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 82 8.501 -4.541 1.766 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.404 -3.966 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.942 -2.691 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.621 -3.787 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.950 -6.329 2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.208 -6.254 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.905 -6.761 0.962 1.00 0.00 H new ATOM 1311 N ARG A 83 9.989 -6.445 -1.190 1.00 0.00 N ATOM 1312 CA ARG A 83 10.702 -7.700 -0.979 1.00 0.00 C ATOM 1313 C ARG A 83 12.141 -7.381 -0.601 1.00 0.00 C ATOM 1314 O ARG A 83 12.744 -8.054 0.234 1.00 0.00 O ATOM 1315 CB ARG A 83 10.658 -8.572 -2.235 1.00 0.00 C ATOM 1316 CG ARG A 83 10.882 -10.048 -1.955 1.00 0.00 C ATOM 1317 CD ARG A 83 10.335 -10.917 -3.075 1.00 0.00 C ATOM 1318 NE ARG A 83 10.670 -12.326 -2.889 1.00 0.00 N ATOM 1319 CZ ARG A 83 10.047 -13.325 -3.510 1.00 0.00 C ATOM 1320 NH1 ARG A 83 9.058 -13.073 -4.359 1.00 0.00 N ATOM 1321 NH2 ARG A 83 10.415 -14.579 -3.284 1.00 0.00 N ATOM 0 H ARG A 83 9.480 -6.382 -2.072 1.00 0.00 H new ATOM 0 HA ARG A 83 10.223 -8.260 -0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.691 -8.445 -2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 83 11.416 -8.224 -2.936 1.00 0.00 H new ATOM 0 HG2 ARG A 83 11.948 -10.238 -1.833 1.00 0.00 H new ATOM 0 HG3 ARG A 83 10.400 -10.318 -1.015 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.252 -10.806 -3.124 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.734 -10.572 -4.029 1.00 0.00 H new ATOM 0 HE ARG A 83 11.426 -12.558 -2.245 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.772 -12.110 -4.538 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.584 -13.842 -4.832 1.00 0.00 H new ATOM 0 HH21 ARG A 83 11.176 -14.778 -2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.937 -15.344 -3.760 1.00 0.00 H new ATOM 1335 N GLU A 84 12.664 -6.311 -1.199 1.00 0.00 N ATOM 1336 CA GLU A 84 14.012 -5.854 -0.904 1.00 0.00 C ATOM 1337 C GLU A 84 14.053 -5.304 0.517 1.00 0.00 C ATOM 1338 O GLU A 84 15.037 -5.473 1.238 1.00 0.00 O ATOM 1339 CB GLU A 84 14.445 -4.776 -1.900 1.00 0.00 C ATOM 1340 CG GLU A 84 14.982 -5.332 -3.208 1.00 0.00 C ATOM 1341 CD GLU A 84 14.641 -4.454 -4.396 1.00 0.00 C ATOM 1342 OE1 GLU A 84 14.423 -3.241 -4.195 1.00 0.00 O ATOM 1343 OE2 GLU A 84 14.592 -4.979 -5.528 1.00 0.00 O ATOM 0 H GLU A 84 12.170 -5.747 -1.891 1.00 0.00 H new ATOM 0 HA GLU A 84 14.702 -6.693 -0.992 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.595 -4.128 -2.113 1.00 0.00 H new ATOM 0 HB3 GLU A 84 15.212 -4.154 -1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.065 -5.437 -3.137 1.00 0.00 H new ATOM 0 HG3 GLU A 84 14.575 -6.330 -3.369 1.00 0.00 H new ATOM 1350 N TYR A 85 12.953 -4.662 0.920 1.00 0.00 N ATOM 1351 CA TYR A 85 12.828 -4.106 2.258 1.00 0.00 C ATOM 1352 C TYR A 85 12.852 -5.233 3.284 1.00 0.00 C ATOM 1353 O TYR A 85 13.351 -5.073 4.397 1.00 0.00 O ATOM 1354 CB TYR A 85 11.521 -3.315 2.359 1.00 0.00 C ATOM 1355 CG TYR A 85 11.334 -2.580 3.665 1.00 0.00 C ATOM 1356 CD1 TYR A 85 10.697 -3.187 4.737 1.00 0.00 C ATOM 1357 CD2 TYR A 85 11.780 -1.274 3.818 1.00 0.00 C ATOM 1358 CE1 TYR A 85 10.513 -2.516 5.928 1.00 0.00 C ATOM 1359 CE2 TYR A 85 11.598 -0.594 5.007 1.00 0.00 C ATOM 1360 CZ TYR A 85 10.964 -1.219 6.059 1.00 0.00 C ATOM 1361 OH TYR A 85 10.781 -0.547 7.245 1.00 0.00 O ATOM 0 H TYR A 85 12.134 -4.517 0.329 1.00 0.00 H new ATOM 0 HA TYR A 85 13.663 -3.434 2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 85 11.483 -2.594 1.542 1.00 0.00 H new ATOM 0 HB3 TYR A 85 10.685 -4.000 2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.339 -4.201 4.638 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.277 -0.782 2.995 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.018 -3.004 6.754 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.951 0.421 5.111 1.00 0.00 H new ATOM 0 HH TYR A 85 11.157 0.355 7.171 1.00 0.00 H new ATOM 1371 N PHE A 86 12.319 -6.383 2.880 1.00 0.00 N ATOM 1372 CA PHE A 86 12.275 -7.566 3.727 1.00 0.00 C ATOM 1373 C PHE A 86 13.527 -8.418 3.544 1.00 0.00 C ATOM 1374 O PHE A 86 13.940 -9.137 4.455 1.00 0.00 O ATOM 1375 CB PHE A 86 11.021 -8.383 3.408 1.00 0.00 C ATOM 1376 CG PHE A 86 9.794 -7.895 4.124 1.00 0.00 C ATOM 1377 CD1 PHE A 86 9.081 -6.802 3.655 1.00 0.00 C ATOM 1378 CD2 PHE A 86 9.358 -8.530 5.275 1.00 0.00 C ATOM 1379 CE1 PHE A 86 7.956 -6.356 4.325 1.00 0.00 C ATOM 1380 CE2 PHE A 86 8.236 -8.089 5.946 1.00 0.00 C ATOM 1381 CZ PHE A 86 7.535 -7.002 5.471 1.00 0.00 C ATOM 0 H PHE A 86 11.907 -6.518 1.957 1.00 0.00 H new ATOM 0 HA PHE A 86 12.239 -7.246 4.768 1.00 0.00 H new ATOM 0 HB2 PHE A 86 10.841 -8.354 2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 86 11.198 -9.425 3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.407 -6.295 2.759 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.904 -9.382 5.652 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.407 -5.504 3.952 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.908 -8.595 6.842 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.656 -6.655 5.995 1.00 0.00 H new ATOM 1391 N LYS A 87 14.135 -8.327 2.364 1.00 0.00 N ATOM 1392 CA LYS A 87 15.344 -9.085 2.066 1.00 0.00 C ATOM 1393 C LYS A 87 16.514 -8.588 2.910 1.00 0.00 C ATOM 1394 O LYS A 87 16.418 -7.465 3.450 1.00 0.00 O ATOM 1395 CB LYS A 87 15.686 -8.970 0.577 1.00 0.00 C ATOM 1396 CG LYS A 87 15.691 -10.303 -0.152 1.00 0.00 C ATOM 1397 CD LYS A 87 16.695 -11.269 0.456 1.00 0.00 C ATOM 1398 CE LYS A 87 16.596 -12.645 -0.180 1.00 0.00 C ATOM 1399 NZ LYS A 87 17.608 -13.587 0.373 1.00 0.00 N ATOM 1400 OXT LYS A 87 17.516 -9.324 3.025 1.00 0.00 O ATOM 0 H LYS A 87 13.809 -7.736 1.600 1.00 0.00 H new ATOM 0 HA LYS A 87 15.161 -10.132 2.310 1.00 0.00 H new ATOM 0 HB2 LYS A 87 14.966 -8.306 0.098 1.00 0.00 H new ATOM 0 HB3 LYS A 87 16.666 -8.505 0.473 1.00 0.00 H new ATOM 0 HG2 LYS A 87 14.694 -10.742 -0.115 1.00 0.00 H new ATOM 0 HG3 LYS A 87 15.930 -10.143 -1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 87 17.704 -10.878 0.325 1.00 0.00 H new ATOM 0 HD3 LYS A 87 16.521 -11.349 1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.597 -13.049 -0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.733 -12.557 -1.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 17.507 -14.514 -0.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 18.563 -13.215 0.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 17.462 -13.691 1.397 1.00 0.00 H new