USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 825 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 22 CYS SG : rot 162:sc= 1.04 USER MOD Set 1.2: A 43 ASN : amide:sc= 0.368 K(o=1.4,f=-3.4!) USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0.201 USER MOD Set 2.2: A 39 LYS NZ :NH3+ -110:sc= 0.209 (180deg=-0.00167) USER MOD Set 3.1: A 17 ASN : amide:sc= 0.584 K(o=1.2,f=-2.4) USER MOD Set 3.2: A 62 LYS NZ :NH3+ -157:sc= 0.66 (180deg=0) USER MOD Set 4.1: A 9 SER OG : rot 17:sc= 0.082 USER MOD Set 4.2: A 16 SER OG : rot 70:sc= -0.959 USER MOD Set 5.1: A 10 MET CE :methyl 171:sc= -1.31 (180deg=-1.51) USER MOD Set 5.2: A 24 TYR OH : rot 116:sc= 1.23 USER MOD Set 6.1: A 1 MET N :NH3+ 177:sc= -0.345 (180deg=0) USER MOD Set 6.2: A 33 ASN : amide:sc= -0.519 K(o=-0.86,f=-6!) USER MOD Single : A 1 MET CE :methyl 152:sc= -0.674 (180deg=-2.3) USER MOD Single : A 3 ASN : amide:sc= -0.675 X(o=-0.67,f=-0.19) USER MOD Single : A 4 MET CE :methyl -133:sc= -0.885 (180deg=-4.12!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 177:sc= 0.973 (180deg=0.927) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0936 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -50:sc= 0.69 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.2!) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot -160:sc= -0.375 USER MOD Single : A 63 ASN : amide:sc= -0.012 X(o=-0.012,f=-0.24) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.164 K(o=-0.16,f=-1.1!) USER MOD Single : A 69 TYR OH : rot 28:sc= 0.274 USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= 1.22 (180deg=1.17) USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0164) USER MOD Single : A 73 SER OG : rot 180:sc= -0.0712 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.323 X(o=-0.32,f=-0.086) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= 0.935 K(o=0.94,f=-6.5!) USER MOD Single : A 91 SER OG : rot 180:sc= 0.0215 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.185) USER MOD ----------------------------------------------------------------- ATOM 25 N MET A 1 15.462 -1.344 7.032 1.00 0.00 N ATOM 26 CA MET A 1 14.115 -1.876 7.118 1.00 0.00 C ATOM 27 C MET A 1 14.154 -3.317 6.652 1.00 0.00 C ATOM 28 O MET A 1 14.515 -3.594 5.507 1.00 0.00 O ATOM 29 CB MET A 1 13.064 -1.088 6.322 1.00 0.00 C ATOM 30 CG MET A 1 11.689 -1.728 6.578 1.00 0.00 C ATOM 31 SD MET A 1 11.205 -1.795 8.329 1.00 0.00 S ATOM 32 CE MET A 1 9.933 -3.078 8.288 1.00 0.00 C ATOM 0 H1 MET A 1 15.456 -0.339 7.298 1.00 0.00 H new ATOM 0 H2 MET A 1 16.085 -1.870 7.678 1.00 0.00 H new ATOM 0 H3 MET A 1 15.812 -1.442 6.058 1.00 0.00 H new ATOM 0 HA MET A 1 13.798 -1.792 8.158 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.060 -0.042 6.629 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.300 -1.107 5.258 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.933 -1.169 6.026 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.693 -2.741 6.176 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.892 -3.581 9.254 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.965 -2.624 8.074 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.173 -3.804 7.511 1.00 0.00 H new ATOM 42 N ILE A 2 13.728 -4.208 7.538 1.00 0.00 N ATOM 43 CA ILE A 2 13.689 -5.641 7.316 1.00 0.00 C ATOM 44 C ILE A 2 12.246 -6.110 7.467 1.00 0.00 C ATOM 45 O ILE A 2 11.574 -5.742 8.425 1.00 0.00 O ATOM 46 CB ILE A 2 14.591 -6.379 8.324 1.00 0.00 C ATOM 47 CG1 ILE A 2 15.954 -5.717 8.634 1.00 0.00 C ATOM 48 CG2 ILE A 2 14.759 -7.825 7.838 1.00 0.00 C ATOM 49 CD1 ILE A 2 16.922 -5.605 7.451 1.00 0.00 C ATOM 0 H ILE A 2 13.389 -3.940 8.462 1.00 0.00 H new ATOM 0 HA ILE A 2 14.058 -5.863 6.315 1.00 0.00 H new ATOM 0 HB ILE A 2 14.084 -6.335 9.288 1.00 0.00 H new ATOM 0 HG12 ILE A 2 15.771 -4.717 9.026 1.00 0.00 H new ATOM 0 HG13 ILE A 2 16.441 -6.285 9.426 1.00 0.00 H new ATOM 0 HG21 ILE A 2 15.395 -8.371 8.535 1.00 0.00 H new ATOM 0 HG22 ILE A 2 13.783 -8.306 7.784 1.00 0.00 H new ATOM 0 HG23 ILE A 2 15.219 -7.826 6.850 1.00 0.00 H new ATOM 0 HD11 ILE A 2 17.845 -5.127 7.780 1.00 0.00 H new ATOM 0 HD12 ILE A 2 17.146 -6.601 7.069 1.00 0.00 H new ATOM 0 HD13 ILE A 2 16.465 -5.008 6.662 1.00 0.00 H new ATOM 61 N ASN A 3 11.800 -6.974 6.560 1.00 0.00 N ATOM 62 CA ASN A 3 10.451 -7.513 6.483 1.00 0.00 C ATOM 63 C ASN A 3 9.347 -6.446 6.595 1.00 0.00 C ATOM 64 O ASN A 3 8.409 -6.548 7.396 1.00 0.00 O ATOM 65 CB ASN A 3 10.252 -8.695 7.445 1.00 0.00 C ATOM 66 CG ASN A 3 8.935 -9.389 7.110 1.00 0.00 C ATOM 67 OD1 ASN A 3 8.005 -9.503 7.904 1.00 0.00 O ATOM 68 ND2 ASN A 3 8.788 -9.852 5.880 1.00 0.00 N ATOM 0 H ASN A 3 12.404 -7.334 5.821 1.00 0.00 H new ATOM 0 HA ASN A 3 10.343 -7.909 5.473 1.00 0.00 H new ATOM 0 HB2 ASN A 3 11.081 -9.397 7.356 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.241 -8.344 8.477 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.912 -10.296 5.603 1.00 0.00 H new ATOM 0 HD22 ASN A 3 9.550 -9.765 5.208 1.00 0.00 H new ATOM 75 N MET A 4 9.418 -5.411 5.753 1.00 0.00 N ATOM 76 CA MET A 4 8.249 -4.554 5.551 1.00 0.00 C ATOM 77 C MET A 4 7.202 -5.365 4.784 1.00 0.00 C ATOM 78 O MET A 4 7.542 -6.244 3.982 1.00 0.00 O ATOM 79 CB MET A 4 8.582 -3.289 4.741 1.00 0.00 C ATOM 80 CG MET A 4 7.550 -2.164 4.939 1.00 0.00 C ATOM 81 SD MET A 4 8.057 -0.845 6.063 1.00 0.00 S ATOM 82 CE MET A 4 8.972 0.240 4.930 1.00 0.00 C ATOM 0 H MET A 4 10.245 -5.152 5.216 1.00 0.00 H new ATOM 0 HA MET A 4 7.886 -4.232 6.527 1.00 0.00 H new ATOM 0 HB2 MET A 4 9.568 -2.926 5.032 1.00 0.00 H new ATOM 0 HB3 MET A 4 8.635 -3.545 3.683 1.00 0.00 H new ATOM 0 HG2 MET A 4 7.324 -1.725 3.967 1.00 0.00 H new ATOM 0 HG3 MET A 4 6.625 -2.603 5.313 1.00 0.00 H new ATOM 0 HE1 MET A 4 9.921 0.524 5.385 1.00 0.00 H new ATOM 0 HE2 MET A 4 9.161 -0.287 3.995 1.00 0.00 H new ATOM 0 HE3 MET A 4 8.384 1.135 4.729 1.00 0.00 H new ATOM 92 N LYS A 5 5.938 -4.976 4.923 1.00 0.00 N ATOM 93 CA LYS A 5 4.933 -5.203 3.900 1.00 0.00 C ATOM 94 C LYS A 5 4.189 -3.899 3.690 1.00 0.00 C ATOM 95 O LYS A 5 4.131 -3.044 4.563 1.00 0.00 O ATOM 96 CB LYS A 5 3.954 -6.290 4.346 1.00 0.00 C ATOM 97 CG LYS A 5 4.325 -7.694 3.913 1.00 0.00 C ATOM 98 CD LYS A 5 3.239 -8.654 4.432 1.00 0.00 C ATOM 99 CE LYS A 5 2.956 -9.655 3.334 1.00 0.00 C ATOM 100 NZ LYS A 5 4.035 -10.660 3.219 1.00 0.00 N ATOM 0 H LYS A 5 5.586 -4.494 5.750 1.00 0.00 H new ATOM 0 HA LYS A 5 5.406 -5.533 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.879 -6.268 5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.965 -6.053 3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.397 -7.751 2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.301 -7.971 4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.576 -9.161 5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.334 -8.105 4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.010 -10.158 3.535 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.843 -9.132 2.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.806 -11.329 2.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 4.933 -10.182 3.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.126 -11.176 4.117 1.00 0.00 H new ATOM 114 N VAL A 6 3.540 -3.749 2.559 1.00 0.00 N ATOM 115 CA VAL A 6 2.758 -2.603 2.224 1.00 0.00 C ATOM 116 C VAL A 6 1.770 -3.107 1.171 1.00 0.00 C ATOM 117 O VAL A 6 2.022 -4.139 0.539 1.00 0.00 O ATOM 118 CB VAL A 6 3.704 -1.518 1.684 1.00 0.00 C ATOM 119 CG1 VAL A 6 4.383 -1.951 0.470 1.00 0.00 C ATOM 120 CG2 VAL A 6 3.083 -0.235 1.185 1.00 0.00 C ATOM 0 H VAL A 6 3.549 -4.456 1.824 1.00 0.00 H new ATOM 0 HA VAL A 6 2.220 -2.159 3.062 1.00 0.00 H new ATOM 0 HB VAL A 6 4.316 -1.351 2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.042 -1.157 0.119 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.971 -2.844 0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.644 -2.176 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.867 0.437 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.401 -0.456 0.364 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.532 0.242 1.996 1.00 0.00 H new ATOM 130 N ALA A 7 0.708 -2.364 0.904 1.00 0.00 N ATOM 131 CA ALA A 7 -0.102 -2.560 -0.276 1.00 0.00 C ATOM 132 C ALA A 7 -0.088 -1.290 -1.114 1.00 0.00 C ATOM 133 O ALA A 7 -0.459 -0.229 -0.609 1.00 0.00 O ATOM 134 CB ALA A 7 -1.506 -2.843 0.234 1.00 0.00 C ATOM 0 H ALA A 7 0.386 -1.606 1.506 1.00 0.00 H new ATOM 0 HA ALA A 7 0.265 -3.374 -0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.175 -3.002 -0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.493 -3.736 0.859 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.858 -1.994 0.821 1.00 0.00 H new ATOM 140 N ILE A 8 0.290 -1.377 -2.389 1.00 0.00 N ATOM 141 CA ILE A 8 0.146 -0.266 -3.314 1.00 0.00 C ATOM 142 C ILE A 8 -1.092 -0.582 -4.143 1.00 0.00 C ATOM 143 O ILE A 8 -1.094 -1.562 -4.891 1.00 0.00 O ATOM 144 CB ILE A 8 1.397 -0.118 -4.197 1.00 0.00 C ATOM 145 CG1 ILE A 8 2.701 -0.031 -3.381 1.00 0.00 C ATOM 146 CG2 ILE A 8 1.254 1.100 -5.119 1.00 0.00 C ATOM 147 CD1 ILE A 8 3.980 -0.051 -4.237 1.00 0.00 C ATOM 0 H ILE A 8 0.701 -2.214 -2.802 1.00 0.00 H new ATOM 0 HA ILE A 8 0.038 0.684 -2.791 1.00 0.00 H new ATOM 0 HB ILE A 8 1.469 -1.023 -4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.687 0.885 -2.790 1.00 0.00 H new ATOM 0 HG13 ILE A 8 2.734 -0.864 -2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.146 1.194 -5.739 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.380 0.972 -5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.135 2.000 -4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.853 0.014 -3.588 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.021 -0.978 -4.809 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.973 0.797 -4.922 1.00 0.00 H new ATOM 159 N SER A 9 -2.143 0.212 -3.995 1.00 0.00 N ATOM 160 CA SER A 9 -3.301 0.125 -4.856 1.00 0.00 C ATOM 161 C SER A 9 -2.847 0.325 -6.320 1.00 0.00 C ATOM 162 O SER A 9 -2.149 1.299 -6.611 1.00 0.00 O ATOM 163 CB SER A 9 -4.314 1.156 -4.336 1.00 0.00 C ATOM 164 OG SER A 9 -3.891 2.503 -4.482 1.00 0.00 O ATOM 0 H SER A 9 -2.211 0.931 -3.275 1.00 0.00 H new ATOM 0 HA SER A 9 -3.793 -0.848 -4.841 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.257 1.022 -4.865 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.509 0.959 -3.282 1.00 0.00 H new ATOM 0 HG SER A 9 -3.158 2.547 -5.131 1.00 0.00 H new ATOM 170 N MET A 10 -3.208 -0.567 -7.249 1.00 0.00 N ATOM 171 CA MET A 10 -2.925 -0.411 -8.679 1.00 0.00 C ATOM 172 C MET A 10 -4.189 -0.662 -9.504 1.00 0.00 C ATOM 173 O MET A 10 -5.101 -1.360 -9.052 1.00 0.00 O ATOM 174 CB MET A 10 -1.837 -1.395 -9.120 1.00 0.00 C ATOM 175 CG MET A 10 -0.504 -1.271 -8.372 1.00 0.00 C ATOM 176 SD MET A 10 1.044 -1.484 -9.313 1.00 0.00 S ATOM 177 CE MET A 10 0.822 -0.353 -10.717 1.00 0.00 C ATOM 0 H MET A 10 -3.710 -1.426 -7.026 1.00 0.00 H new ATOM 0 HA MET A 10 -2.580 0.609 -8.845 1.00 0.00 H new ATOM 0 HB2 MET A 10 -2.214 -2.410 -8.993 1.00 0.00 H new ATOM 0 HB3 MET A 10 -1.652 -1.255 -10.185 1.00 0.00 H new ATOM 0 HG2 MET A 10 -0.476 -0.286 -7.906 1.00 0.00 H new ATOM 0 HG3 MET A 10 -0.506 -2.005 -7.566 1.00 0.00 H new ATOM 0 HE1 MET A 10 1.757 -0.274 -11.272 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.042 -0.737 -11.374 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.534 0.632 -10.349 1.00 0.00 H new ATOM 187 N ASP A 11 -4.221 -0.127 -10.729 1.00 0.00 N ATOM 188 CA ASP A 11 -5.281 -0.342 -11.731 1.00 0.00 C ATOM 189 C ASP A 11 -4.800 -1.405 -12.724 1.00 0.00 C ATOM 190 O ASP A 11 -5.321 -2.519 -12.797 1.00 0.00 O ATOM 191 CB ASP A 11 -5.596 0.988 -12.455 1.00 0.00 C ATOM 192 CG ASP A 11 -6.974 1.013 -13.145 1.00 0.00 C ATOM 193 OD1 ASP A 11 -7.408 -0.026 -13.692 1.00 0.00 O ATOM 194 OD2 ASP A 11 -7.613 2.091 -13.188 1.00 0.00 O ATOM 0 H ASP A 11 -3.484 0.492 -11.067 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.196 -0.686 -11.249 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.547 1.803 -11.733 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.824 1.176 -13.201 1.00 0.00 H new ATOM 199 N VAL A 12 -3.727 -1.092 -13.451 1.00 0.00 N ATOM 200 CA VAL A 12 -3.076 -1.983 -14.391 1.00 0.00 C ATOM 201 C VAL A 12 -1.599 -1.655 -14.216 1.00 0.00 C ATOM 202 O VAL A 12 -0.887 -2.364 -13.503 1.00 0.00 O ATOM 203 CB VAL A 12 -3.626 -1.771 -15.829 1.00 0.00 C ATOM 204 CG1 VAL A 12 -2.990 -2.760 -16.815 1.00 0.00 C ATOM 205 CG2 VAL A 12 -5.153 -1.927 -15.922 1.00 0.00 C ATOM 0 H VAL A 12 -3.278 -0.178 -13.394 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.259 -3.043 -14.213 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.365 -0.745 -16.087 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.393 -2.589 -17.813 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.910 -2.615 -16.830 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.215 -3.780 -16.503 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.473 -1.767 -16.952 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.436 -2.931 -15.606 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.634 -1.194 -15.274 1.00 0.00 H new ATOM 215 N ASP A 13 -1.179 -0.510 -14.753 1.00 0.00 N ATOM 216 CA ASP A 13 0.215 -0.136 -14.938 1.00 0.00 C ATOM 217 C ASP A 13 0.596 1.137 -14.181 1.00 0.00 C ATOM 218 O ASP A 13 1.661 1.692 -14.435 1.00 0.00 O ATOM 219 CB ASP A 13 0.524 -0.021 -16.453 1.00 0.00 C ATOM 220 CG ASP A 13 -0.279 1.068 -17.178 1.00 0.00 C ATOM 221 OD1 ASP A 13 -1.516 1.089 -17.002 1.00 0.00 O ATOM 222 OD2 ASP A 13 0.280 1.887 -17.949 1.00 0.00 O ATOM 0 H ASP A 13 -1.827 0.206 -15.082 1.00 0.00 H new ATOM 0 HA ASP A 13 0.833 -0.924 -14.507 1.00 0.00 H new ATOM 0 HB2 ASP A 13 1.587 0.181 -16.581 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.323 -0.982 -16.927 1.00 0.00 H new ATOM 227 N LYS A 14 -0.255 1.649 -13.281 1.00 0.00 N ATOM 228 CA LYS A 14 0.000 2.838 -12.458 1.00 0.00 C ATOM 229 C LYS A 14 -0.820 2.721 -11.179 1.00 0.00 C ATOM 230 O LYS A 14 -1.675 1.829 -11.080 1.00 0.00 O ATOM 231 CB LYS A 14 -0.355 4.136 -13.219 1.00 0.00 C ATOM 232 CG LYS A 14 -1.732 4.101 -13.899 1.00 0.00 C ATOM 233 CD LYS A 14 -1.615 3.613 -15.342 1.00 0.00 C ATOM 234 CE LYS A 14 -1.316 4.730 -16.326 1.00 0.00 C ATOM 235 NZ LYS A 14 -1.385 4.201 -17.701 1.00 0.00 N ATOM 0 H LYS A 14 -1.169 1.233 -13.101 1.00 0.00 H new ATOM 0 HA LYS A 14 1.062 2.891 -12.217 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.326 4.974 -12.522 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.408 4.323 -13.975 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.401 3.445 -13.342 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.176 5.096 -13.882 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.827 2.863 -15.403 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.545 3.122 -15.630 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.032 5.542 -16.200 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.327 5.145 -16.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.231 4.975 -18.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.651 3.475 -17.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.322 3.779 -17.864 1.00 0.00 H new ATOM 249 N ILE A 15 -0.566 3.610 -10.215 1.00 0.00 N ATOM 250 CA ILE A 15 -1.381 3.714 -9.012 1.00 0.00 C ATOM 251 C ILE A 15 -2.828 3.999 -9.449 1.00 0.00 C ATOM 252 O ILE A 15 -3.060 4.821 -10.338 1.00 0.00 O ATOM 253 CB ILE A 15 -0.776 4.778 -8.061 1.00 0.00 C ATOM 254 CG1 ILE A 15 0.629 4.314 -7.605 1.00 0.00 C ATOM 255 CG2 ILE A 15 -1.693 4.996 -6.848 1.00 0.00 C ATOM 256 CD1 ILE A 15 1.442 5.335 -6.806 1.00 0.00 C ATOM 0 H ILE A 15 0.208 4.273 -10.250 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.391 2.788 -8.438 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.686 5.727 -8.590 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.515 3.415 -6.999 1.00 0.00 H new ATOM 0 HG13 ILE A 15 1.202 4.033 -8.488 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.254 5.746 -6.190 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.670 5.339 -7.188 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.806 4.058 -6.304 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.407 4.904 -6.540 1.00 0.00 H new ATOM 0 HD12 ILE A 15 1.598 6.229 -7.410 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.901 5.601 -5.898 1.00 0.00 H new ATOM 268 N SER A 16 -3.780 3.276 -8.859 1.00 0.00 N ATOM 269 CA SER A 16 -5.227 3.436 -9.014 1.00 0.00 C ATOM 270 C SER A 16 -5.730 4.676 -8.279 1.00 0.00 C ATOM 271 O SER A 16 -5.100 5.113 -7.308 1.00 0.00 O ATOM 272 CB SER A 16 -5.910 2.222 -8.381 1.00 0.00 C ATOM 273 OG SER A 16 -5.190 1.763 -7.261 1.00 0.00 O ATOM 0 H SER A 16 -3.547 2.516 -8.220 1.00 0.00 H new ATOM 0 HA SER A 16 -5.452 3.532 -10.076 1.00 0.00 H new ATOM 0 HB2 SER A 16 -6.924 2.486 -8.082 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.993 1.422 -9.117 1.00 0.00 H new ATOM 0 HG SER A 16 -5.270 2.413 -6.532 1.00 0.00 H new ATOM 279 N ASN A 17 -6.907 5.193 -8.643 1.00 0.00 N ATOM 280 CA ASN A 17 -7.379 6.438 -8.045 1.00 0.00 C ATOM 281 C ASN A 17 -7.861 6.305 -6.598 1.00 0.00 C ATOM 282 O ASN A 17 -7.766 7.283 -5.859 1.00 0.00 O ATOM 283 CB ASN A 17 -8.412 7.140 -8.917 1.00 0.00 C ATOM 284 CG ASN A 17 -8.526 8.599 -8.498 1.00 0.00 C ATOM 285 OD1 ASN A 17 -7.526 9.322 -8.494 1.00 0.00 O ATOM 286 ND2 ASN A 17 -9.724 9.034 -8.146 1.00 0.00 N ATOM 0 H ASN A 17 -7.535 4.779 -9.332 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.493 7.072 -7.996 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -8.123 7.074 -9.966 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.379 6.647 -8.821 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.849 10.004 -7.856 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.523 8.400 -8.165 1.00 0.00 H new ATOM 293 N SER A 18 -8.303 5.126 -6.150 1.00 0.00 N ATOM 294 CA SER A 18 -8.557 4.893 -4.729 1.00 0.00 C ATOM 295 C SER A 18 -8.321 3.426 -4.346 1.00 0.00 C ATOM 296 O SER A 18 -8.099 2.571 -5.208 1.00 0.00 O ATOM 297 CB SER A 18 -9.972 5.372 -4.372 1.00 0.00 C ATOM 298 OG SER A 18 -10.927 4.576 -5.049 1.00 0.00 O ATOM 0 H SER A 18 -8.491 4.323 -6.750 1.00 0.00 H new ATOM 0 HA SER A 18 -7.846 5.474 -4.142 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.128 5.308 -3.295 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.094 6.419 -4.650 1.00 0.00 H new ATOM 0 HG SER A 18 -11.829 4.881 -4.819 1.00 0.00 H new ATOM 304 N PHE A 19 -8.405 3.130 -3.045 1.00 0.00 N ATOM 305 CA PHE A 19 -8.331 1.796 -2.447 1.00 0.00 C ATOM 306 C PHE A 19 -9.607 0.979 -2.721 1.00 0.00 C ATOM 307 O PHE A 19 -9.652 -0.229 -2.501 1.00 0.00 O ATOM 308 CB PHE A 19 -8.102 1.985 -0.933 1.00 0.00 C ATOM 309 CG PHE A 19 -7.945 0.713 -0.115 1.00 0.00 C ATOM 310 CD1 PHE A 19 -9.084 0.056 0.388 1.00 0.00 C ATOM 311 CD2 PHE A 19 -6.669 0.180 0.149 1.00 0.00 C ATOM 312 CE1 PHE A 19 -8.959 -1.130 1.129 1.00 0.00 C ATOM 313 CE2 PHE A 19 -6.542 -1.009 0.890 1.00 0.00 C ATOM 314 CZ PHE A 19 -7.684 -1.661 1.385 1.00 0.00 C ATOM 0 H PHE A 19 -8.534 3.858 -2.342 1.00 0.00 H new ATOM 0 HA PHE A 19 -7.511 1.231 -2.890 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.209 2.594 -0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -8.940 2.552 -0.528 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.065 0.469 0.202 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -5.787 0.684 -0.218 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -9.840 -1.632 1.501 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.562 -1.423 1.079 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.582 -2.569 1.961 1.00 0.00 H new ATOM 324 N GLU A 20 -10.672 1.632 -3.180 1.00 0.00 N ATOM 325 CA GLU A 20 -11.987 1.054 -3.429 1.00 0.00 C ATOM 326 C GLU A 20 -12.343 1.090 -4.922 1.00 0.00 C ATOM 327 O GLU A 20 -13.471 0.782 -5.295 1.00 0.00 O ATOM 328 CB GLU A 20 -12.994 1.801 -2.541 1.00 0.00 C ATOM 329 CG GLU A 20 -13.642 0.888 -1.493 1.00 0.00 C ATOM 330 CD GLU A 20 -14.861 0.132 -2.022 1.00 0.00 C ATOM 331 OE1 GLU A 20 -15.913 0.788 -2.171 1.00 0.00 O ATOM 332 OE2 GLU A 20 -14.808 -1.115 -2.133 1.00 0.00 O ATOM 0 H GLU A 20 -10.638 2.628 -3.399 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.004 -0.004 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.488 2.625 -2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.771 2.239 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -12.902 0.169 -1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.940 1.488 -0.633 1.00 0.00 H new ATOM 339 N ASP A 21 -11.391 1.466 -5.778 1.00 0.00 N ATOM 340 CA ASP A 21 -11.478 1.419 -7.244 1.00 0.00 C ATOM 341 C ASP A 21 -10.206 0.790 -7.832 1.00 0.00 C ATOM 342 O ASP A 21 -10.014 0.722 -9.049 1.00 0.00 O ATOM 343 CB ASP A 21 -11.685 2.846 -7.775 1.00 0.00 C ATOM 344 CG ASP A 21 -11.854 2.930 -9.296 1.00 0.00 C ATOM 345 OD1 ASP A 21 -12.841 2.399 -9.841 1.00 0.00 O ATOM 346 OD2 ASP A 21 -11.050 3.632 -9.957 1.00 0.00 O ATOM 0 H ASP A 21 -10.494 1.829 -5.455 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.323 0.800 -7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -12.566 3.275 -7.298 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.833 3.459 -7.481 1.00 0.00 H new ATOM 351 N CYS A 22 -9.287 0.346 -6.970 1.00 0.00 N ATOM 352 CA CYS A 22 -8.114 -0.389 -7.394 1.00 0.00 C ATOM 353 C CYS A 22 -8.521 -1.774 -7.858 1.00 0.00 C ATOM 354 O CYS A 22 -9.520 -2.337 -7.414 1.00 0.00 O ATOM 355 CB CYS A 22 -7.075 -0.440 -6.275 1.00 0.00 C ATOM 356 SG CYS A 22 -7.681 -1.220 -4.766 1.00 0.00 S ATOM 0 H CYS A 22 -9.344 0.491 -5.962 1.00 0.00 H new ATOM 0 HA CYS A 22 -7.648 0.124 -8.235 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -6.198 -0.983 -6.628 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -6.750 0.575 -6.045 1.00 0.00 H new ATOM 0 HG CYS A 22 -6.673 -1.567 -4.022 1.00 0.00 H new ATOM 362 N LYS A 23 -7.706 -2.334 -8.736 1.00 0.00 N ATOM 363 CA LYS A 23 -7.909 -3.634 -9.343 1.00 0.00 C ATOM 364 C LYS A 23 -7.025 -4.655 -8.645 1.00 0.00 C ATOM 365 O LYS A 23 -7.370 -5.833 -8.647 1.00 0.00 O ATOM 366 CB LYS A 23 -7.544 -3.521 -10.824 1.00 0.00 C ATOM 367 CG LYS A 23 -8.596 -2.861 -11.736 1.00 0.00 C ATOM 368 CD LYS A 23 -9.245 -1.555 -11.248 1.00 0.00 C ATOM 369 CE LYS A 23 -10.277 -1.013 -12.241 1.00 0.00 C ATOM 370 NZ LYS A 23 -11.533 -1.801 -12.234 1.00 0.00 N ATOM 0 H LYS A 23 -6.853 -1.876 -9.056 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.945 -3.957 -9.246 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.616 -2.955 -10.906 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.341 -4.522 -11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.128 -2.663 -12.700 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.391 -3.586 -11.911 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.726 -1.729 -10.286 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.471 -0.805 -11.087 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.501 0.026 -11.998 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.851 -1.021 -13.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.200 -1.397 -12.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.326 -2.787 -12.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.955 -1.773 -11.284 1.00 0.00 H new ATOM 384 N TYR A 24 -5.916 -4.242 -8.023 1.00 0.00 N ATOM 385 CA TYR A 24 -5.110 -5.106 -7.179 1.00 0.00 C ATOM 386 C TYR A 24 -4.277 -4.292 -6.205 1.00 0.00 C ATOM 387 O TYR A 24 -4.206 -3.065 -6.296 1.00 0.00 O ATOM 388 CB TYR A 24 -4.205 -6.002 -8.030 1.00 0.00 C ATOM 389 CG TYR A 24 -3.100 -5.324 -8.794 1.00 0.00 C ATOM 390 CD1 TYR A 24 -3.421 -4.733 -10.021 1.00 0.00 C ATOM 391 CD2 TYR A 24 -1.757 -5.402 -8.383 1.00 0.00 C ATOM 392 CE1 TYR A 24 -2.409 -4.190 -10.829 1.00 0.00 C ATOM 393 CE2 TYR A 24 -0.745 -4.897 -9.184 1.00 0.00 C ATOM 394 CZ TYR A 24 -1.060 -4.273 -10.414 1.00 0.00 C ATOM 395 OH TYR A 24 -0.066 -3.788 -11.207 1.00 0.00 O ATOM 0 H TYR A 24 -5.557 -3.290 -8.097 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.787 -5.739 -6.605 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.756 -6.750 -7.376 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.832 -6.537 -8.743 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.450 -4.694 -10.347 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -1.512 -5.859 -7.436 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.660 -3.711 -11.764 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.285 -4.980 -8.869 1.00 0.00 H new ATOM 0 HH TYR A 24 0.375 -3.038 -10.757 1.00 0.00 H new ATOM 405 N PHE A 25 -3.615 -5.022 -5.316 1.00 0.00 N ATOM 406 CA PHE A 25 -2.697 -4.550 -4.304 1.00 0.00 C ATOM 407 C PHE A 25 -1.318 -5.116 -4.621 1.00 0.00 C ATOM 408 O PHE A 25 -1.081 -6.316 -4.476 1.00 0.00 O ATOM 409 CB PHE A 25 -3.211 -4.982 -2.931 1.00 0.00 C ATOM 410 CG PHE A 25 -4.579 -4.407 -2.636 1.00 0.00 C ATOM 411 CD1 PHE A 25 -4.730 -3.022 -2.440 1.00 0.00 C ATOM 412 CD2 PHE A 25 -5.709 -5.244 -2.626 1.00 0.00 C ATOM 413 CE1 PHE A 25 -5.996 -2.488 -2.152 1.00 0.00 C ATOM 414 CE2 PHE A 25 -6.976 -4.708 -2.333 1.00 0.00 C ATOM 415 CZ PHE A 25 -7.117 -3.331 -2.084 1.00 0.00 C ATOM 0 H PHE A 25 -3.719 -6.036 -5.287 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.623 -3.463 -4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.257 -6.070 -2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.508 -4.661 -2.162 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.872 -2.370 -2.511 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.604 -6.297 -2.843 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.108 -1.427 -1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.841 -5.354 -2.299 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.087 -2.922 -1.841 1.00 0.00 H new ATOM 425 N LEU A 26 -0.426 -4.274 -5.138 1.00 0.00 N ATOM 426 CA LEU A 26 0.972 -4.600 -5.375 1.00 0.00 C ATOM 427 C LEU A 26 1.658 -4.568 -4.003 1.00 0.00 C ATOM 428 O LEU A 26 1.806 -3.511 -3.397 1.00 0.00 O ATOM 429 CB LEU A 26 1.571 -3.620 -6.396 1.00 0.00 C ATOM 430 CG LEU A 26 2.921 -3.963 -7.034 1.00 0.00 C ATOM 431 CD1 LEU A 26 3.989 -4.439 -6.046 1.00 0.00 C ATOM 432 CD2 LEU A 26 2.833 -5.067 -8.100 1.00 0.00 C ATOM 0 H LEU A 26 -0.666 -3.321 -5.410 1.00 0.00 H new ATOM 0 HA LEU A 26 1.111 -5.588 -5.815 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.846 -3.496 -7.201 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.673 -2.652 -5.906 1.00 0.00 H new ATOM 0 HG LEU A 26 3.207 -3.007 -7.472 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.911 -4.659 -6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.177 -3.658 -5.309 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.641 -5.339 -5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.825 -5.258 -8.509 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.445 -5.980 -7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.166 -4.747 -8.901 1.00 0.00 H new ATOM 444 N ILE A 27 2.009 -5.720 -3.452 1.00 0.00 N ATOM 445 CA ILE A 27 2.690 -5.855 -2.181 1.00 0.00 C ATOM 446 C ILE A 27 4.177 -5.575 -2.381 1.00 0.00 C ATOM 447 O ILE A 27 4.790 -6.127 -3.301 1.00 0.00 O ATOM 448 CB ILE A 27 2.429 -7.264 -1.611 1.00 0.00 C ATOM 449 CG1 ILE A 27 0.938 -7.689 -1.623 1.00 0.00 C ATOM 450 CG2 ILE A 27 3.112 -7.452 -0.250 1.00 0.00 C ATOM 451 CD1 ILE A 27 -0.072 -6.698 -1.033 1.00 0.00 C ATOM 0 H ILE A 27 1.819 -6.618 -3.897 1.00 0.00 H new ATOM 0 HA ILE A 27 2.311 -5.134 -1.457 1.00 0.00 H new ATOM 0 HB ILE A 27 2.899 -7.964 -2.301 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.651 -7.891 -2.655 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.849 -8.629 -1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.908 -8.455 0.124 1.00 0.00 H new ATOM 0 HG22 ILE A 27 4.188 -7.318 -0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.726 -6.717 0.456 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.076 -7.117 -1.103 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.171 -6.510 0.013 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.030 -5.761 -1.589 1.00 0.00 H new ATOM 463 N VAL A 28 4.752 -4.751 -1.502 1.00 0.00 N ATOM 464 CA VAL A 28 6.197 -4.452 -1.519 1.00 0.00 C ATOM 465 C VAL A 28 6.820 -5.209 -0.338 1.00 0.00 C ATOM 466 O VAL A 28 6.579 -4.850 0.815 1.00 0.00 O ATOM 467 CB VAL A 28 6.510 -2.925 -1.516 1.00 0.00 C ATOM 468 CG1 VAL A 28 7.901 -2.642 -2.122 1.00 0.00 C ATOM 469 CG2 VAL A 28 5.510 -2.059 -2.269 1.00 0.00 C ATOM 0 H VAL A 28 4.239 -4.273 -0.761 1.00 0.00 H new ATOM 0 HA VAL A 28 6.642 -4.791 -2.454 1.00 0.00 H new ATOM 0 HB VAL A 28 6.458 -2.655 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.093 -1.569 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.664 -3.155 -1.537 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.930 -3.002 -3.151 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.815 -1.014 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.476 -2.367 -3.314 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.521 -2.174 -1.824 1.00 0.00 H new ATOM 479 N ARG A 29 7.536 -6.313 -0.599 1.00 0.00 N ATOM 480 CA ARG A 29 8.189 -7.108 0.438 1.00 0.00 C ATOM 481 C ARG A 29 9.655 -6.685 0.467 1.00 0.00 C ATOM 482 O ARG A 29 10.420 -7.008 -0.447 1.00 0.00 O ATOM 483 CB ARG A 29 8.004 -8.617 0.179 1.00 0.00 C ATOM 484 CG ARG A 29 7.948 -9.378 1.517 1.00 0.00 C ATOM 485 CD ARG A 29 8.122 -10.890 1.303 1.00 0.00 C ATOM 486 NE ARG A 29 8.198 -11.657 2.560 1.00 0.00 N ATOM 487 CZ ARG A 29 9.235 -11.718 3.409 1.00 0.00 C ATOM 488 NH1 ARG A 29 10.320 -10.970 3.196 1.00 0.00 N ATOM 489 NH2 ARG A 29 9.142 -12.498 4.482 1.00 0.00 N ATOM 0 H ARG A 29 7.676 -6.677 -1.542 1.00 0.00 H new ATOM 0 HA ARG A 29 7.741 -6.929 1.415 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.087 -8.788 -0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.827 -8.994 -0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.730 -9.010 2.181 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.995 -9.185 2.009 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.288 -11.263 0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 29 9.029 -11.065 0.724 1.00 0.00 H new ATOM 0 HE ARG A 29 7.372 -12.200 2.811 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.362 -10.351 2.387 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.107 -11.018 3.843 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.292 -13.037 4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.920 -12.557 5.139 1.00 0.00 H new ATOM 503 N ILE A 30 10.024 -5.897 1.469 1.00 0.00 N ATOM 504 CA ILE A 30 11.342 -5.280 1.585 1.00 0.00 C ATOM 505 C ILE A 30 12.093 -6.047 2.668 1.00 0.00 C ATOM 506 O ILE A 30 11.502 -6.342 3.709 1.00 0.00 O ATOM 507 CB ILE A 30 11.163 -3.789 1.944 1.00 0.00 C ATOM 508 CG1 ILE A 30 10.491 -3.009 0.789 1.00 0.00 C ATOM 509 CG2 ILE A 30 12.482 -3.108 2.334 1.00 0.00 C ATOM 510 CD1 ILE A 30 9.710 -1.786 1.282 1.00 0.00 C ATOM 0 H ILE A 30 9.402 -5.663 2.242 1.00 0.00 H new ATOM 0 HA ILE A 30 11.909 -5.323 0.655 1.00 0.00 H new ATOM 0 HB ILE A 30 10.511 -3.768 2.817 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.254 -2.687 0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.816 -3.674 0.250 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.294 -2.062 2.576 1.00 0.00 H new ATOM 0 HG22 ILE A 30 12.908 -3.610 3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 30 13.182 -3.168 1.501 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.259 -1.275 0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.927 -2.107 1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.388 -1.105 1.796 1.00 0.00 H new ATOM 522 N ASP A 31 13.379 -6.336 2.450 1.00 0.00 N ATOM 523 CA ASP A 31 14.211 -7.092 3.395 1.00 0.00 C ATOM 524 C ASP A 31 15.485 -6.348 3.783 1.00 0.00 C ATOM 525 O ASP A 31 16.203 -6.815 4.665 1.00 0.00 O ATOM 526 CB ASP A 31 14.551 -8.482 2.819 1.00 0.00 C ATOM 527 CG ASP A 31 13.426 -9.519 2.900 1.00 0.00 C ATOM 528 OD1 ASP A 31 12.743 -9.651 3.945 1.00 0.00 O ATOM 529 OD2 ASP A 31 13.242 -10.275 1.914 1.00 0.00 O ATOM 0 H ASP A 31 13.877 -6.051 1.607 1.00 0.00 H new ATOM 0 HA ASP A 31 13.626 -7.213 4.307 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.839 -8.363 1.774 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.421 -8.873 3.347 1.00 0.00 H new ATOM 534 N ASP A 32 15.758 -5.201 3.166 1.00 0.00 N ATOM 535 CA ASP A 32 16.972 -4.410 3.371 1.00 0.00 C ATOM 536 C ASP A 32 16.837 -3.099 2.616 1.00 0.00 C ATOM 537 O ASP A 32 17.716 -2.682 1.865 1.00 0.00 O ATOM 538 CB ASP A 32 18.259 -5.166 2.955 1.00 0.00 C ATOM 539 CG ASP A 32 18.170 -5.774 1.551 1.00 0.00 C ATOM 540 OD1 ASP A 32 17.407 -6.764 1.426 1.00 0.00 O ATOM 541 OD2 ASP A 32 18.866 -5.326 0.612 1.00 0.00 O ATOM 0 H ASP A 32 15.121 -4.782 2.488 1.00 0.00 H new ATOM 0 HA ASP A 32 17.076 -4.215 4.438 1.00 0.00 H new ATOM 0 HB2 ASP A 32 19.105 -4.480 2.995 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.457 -5.959 3.676 1.00 0.00 H new ATOM 546 N ASN A 33 15.687 -2.444 2.802 1.00 0.00 N ATOM 547 CA ASN A 33 15.373 -1.158 2.170 1.00 0.00 C ATOM 548 C ASN A 33 15.405 -1.242 0.640 1.00 0.00 C ATOM 549 O ASN A 33 15.479 -0.219 -0.036 1.00 0.00 O ATOM 550 CB ASN A 33 16.289 -0.048 2.709 1.00 0.00 C ATOM 551 CG ASN A 33 16.261 -0.002 4.217 1.00 0.00 C ATOM 552 OD1 ASN A 33 17.051 -0.675 4.857 1.00 0.00 O ATOM 553 ND2 ASN A 33 15.307 0.680 4.835 1.00 0.00 N ATOM 0 H ASN A 33 14.940 -2.795 3.402 1.00 0.00 H new ATOM 0 HA ASN A 33 14.348 -0.900 2.437 1.00 0.00 H new ATOM 0 HB2 ASN A 33 17.310 -0.217 2.367 1.00 0.00 H new ATOM 0 HB3 ASN A 33 15.973 0.915 2.307 1.00 0.00 H new ATOM 0 HD21 ASN A 33 15.231 0.644 5.851 1.00 0.00 H new ATOM 0 HD22 ASN A 33 14.649 1.241 4.294 1.00 0.00 H new ATOM 560 N GLU A 34 15.319 -2.451 0.088 1.00 0.00 N ATOM 561 CA GLU A 34 15.283 -2.733 -1.331 1.00 0.00 C ATOM 562 C GLU A 34 14.082 -3.615 -1.623 1.00 0.00 C ATOM 563 O GLU A 34 13.647 -4.417 -0.783 1.00 0.00 O ATOM 564 CB GLU A 34 16.553 -3.481 -1.750 1.00 0.00 C ATOM 565 CG GLU A 34 17.818 -2.624 -1.669 1.00 0.00 C ATOM 566 CD GLU A 34 18.834 -2.858 -2.788 1.00 0.00 C ATOM 567 OE1 GLU A 34 18.615 -3.673 -3.722 1.00 0.00 O ATOM 568 OE2 GLU A 34 19.896 -2.204 -2.707 1.00 0.00 O ATOM 0 H GLU A 34 15.271 -3.298 0.654 1.00 0.00 H new ATOM 0 HA GLU A 34 15.216 -1.796 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 34 16.676 -4.358 -1.114 1.00 0.00 H new ATOM 0 HB3 GLU A 34 16.433 -3.842 -2.771 1.00 0.00 H new ATOM 0 HG2 GLU A 34 17.527 -1.573 -1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 34 18.305 -2.812 -0.712 1.00 0.00 H new ATOM 575 N VAL A 35 13.579 -3.516 -2.848 1.00 0.00 N ATOM 576 CA VAL A 35 12.638 -4.466 -3.393 1.00 0.00 C ATOM 577 C VAL A 35 13.403 -5.758 -3.711 1.00 0.00 C ATOM 578 O VAL A 35 13.953 -5.953 -4.797 1.00 0.00 O ATOM 579 CB VAL A 35 11.874 -3.822 -4.568 1.00 0.00 C ATOM 580 CG1 VAL A 35 12.751 -3.275 -5.703 1.00 0.00 C ATOM 581 CG2 VAL A 35 10.851 -4.811 -5.123 1.00 0.00 C ATOM 0 H VAL A 35 13.821 -2.763 -3.492 1.00 0.00 H new ATOM 0 HA VAL A 35 11.856 -4.745 -2.687 1.00 0.00 H new ATOM 0 HB VAL A 35 11.383 -2.945 -4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.117 -2.844 -6.478 1.00 0.00 H new ATOM 0 HG12 VAL A 35 13.417 -2.506 -5.310 1.00 0.00 H new ATOM 0 HG13 VAL A 35 13.343 -4.085 -6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.314 -4.352 -5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.364 -5.706 -5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.144 -5.082 -4.339 1.00 0.00 H new ATOM 591 N LYS A 36 13.469 -6.670 -2.740 1.00 0.00 N ATOM 592 CA LYS A 36 13.940 -8.017 -3.044 1.00 0.00 C ATOM 593 C LYS A 36 12.880 -8.780 -3.829 1.00 0.00 C ATOM 594 O LYS A 36 13.251 -9.539 -4.720 1.00 0.00 O ATOM 595 CB LYS A 36 14.446 -8.767 -1.802 1.00 0.00 C ATOM 596 CG LYS A 36 15.548 -8.022 -1.024 1.00 0.00 C ATOM 597 CD LYS A 36 16.696 -7.454 -1.881 1.00 0.00 C ATOM 598 CE LYS A 36 18.094 -7.659 -1.283 1.00 0.00 C ATOM 599 NZ LYS A 36 18.859 -8.750 -1.924 1.00 0.00 N ATOM 0 H LYS A 36 13.211 -6.507 -1.767 1.00 0.00 H new ATOM 0 HA LYS A 36 14.819 -7.933 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.605 -8.951 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.828 -9.741 -2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 36 15.088 -7.201 -0.473 1.00 0.00 H new ATOM 0 HG3 LYS A 36 15.971 -8.703 -0.286 1.00 0.00 H new ATOM 0 HD2 LYS A 36 16.663 -7.920 -2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 36 16.530 -6.387 -2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.658 -6.730 -1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 36 17.997 -7.872 -0.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 19.792 -8.832 -1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 18.342 -9.646 -1.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 18.982 -8.540 -2.935 1.00 0.00 H new ATOM 613 N SER A 37 11.580 -8.574 -3.568 1.00 0.00 N ATOM 614 CA SER A 37 10.554 -9.067 -4.474 1.00 0.00 C ATOM 615 C SER A 37 9.227 -8.347 -4.208 1.00 0.00 C ATOM 616 O SER A 37 8.777 -8.258 -3.064 1.00 0.00 O ATOM 617 CB SER A 37 10.400 -10.585 -4.280 1.00 0.00 C ATOM 618 OG SER A 37 9.868 -11.213 -5.434 1.00 0.00 O ATOM 0 H SER A 37 11.227 -8.077 -2.750 1.00 0.00 H new ATOM 0 HA SER A 37 10.845 -8.868 -5.505 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.371 -11.021 -4.044 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.748 -10.778 -3.428 1.00 0.00 H new ATOM 0 HG SER A 37 9.786 -12.176 -5.274 1.00 0.00 H new ATOM 624 N THR A 38 8.573 -7.862 -5.259 1.00 0.00 N ATOM 625 CA THR A 38 7.174 -7.433 -5.233 1.00 0.00 C ATOM 626 C THR A 38 6.220 -8.629 -5.238 1.00 0.00 C ATOM 627 O THR A 38 6.652 -9.780 -5.360 1.00 0.00 O ATOM 628 CB THR A 38 6.914 -6.511 -6.438 1.00 0.00 C ATOM 629 OG1 THR A 38 7.664 -6.908 -7.578 1.00 0.00 O ATOM 630 CG2 THR A 38 7.303 -5.092 -6.038 1.00 0.00 C ATOM 0 H THR A 38 9.009 -7.753 -6.175 1.00 0.00 H new ATOM 0 HA THR A 38 6.986 -6.886 -4.309 1.00 0.00 H new ATOM 0 HB THR A 38 5.859 -6.569 -6.707 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.472 -6.301 -8.323 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.128 -4.417 -6.876 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.701 -4.776 -5.186 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.358 -5.067 -5.766 1.00 0.00 H new ATOM 638 N LYS A 39 4.919 -8.347 -5.105 1.00 0.00 N ATOM 639 CA LYS A 39 3.798 -9.267 -5.258 1.00 0.00 C ATOM 640 C LYS A 39 2.552 -8.513 -5.654 1.00 0.00 C ATOM 641 O LYS A 39 2.517 -7.309 -5.568 1.00 0.00 O ATOM 642 CB LYS A 39 3.475 -9.898 -3.893 1.00 0.00 C ATOM 643 CG LYS A 39 3.796 -11.366 -3.721 1.00 0.00 C ATOM 644 CD LYS A 39 5.229 -11.507 -3.179 1.00 0.00 C ATOM 645 CE LYS A 39 6.072 -12.422 -4.062 1.00 0.00 C ATOM 646 NZ LYS A 39 7.517 -12.245 -3.810 1.00 0.00 N ATOM 0 H LYS A 39 4.606 -7.405 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 39 4.072 -10.008 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.014 -9.341 -3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.411 -9.759 -3.699 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.087 -11.828 -3.034 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.702 -11.886 -4.674 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.696 -10.524 -3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.198 -11.905 -2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.795 -13.460 -3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.857 -12.215 -5.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.958 -11.781 -4.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.652 -11.655 -2.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.959 -13.174 -3.659 1.00 0.00 H new ATOM 660 N VAL A 40 1.513 -9.210 -6.059 1.00 0.00 N ATOM 661 CA VAL A 40 0.162 -8.785 -6.329 1.00 0.00 C ATOM 662 C VAL A 40 -0.989 -9.667 -5.779 1.00 0.00 C ATOM 663 O VAL A 40 -0.880 -10.880 -5.651 1.00 0.00 O ATOM 664 CB VAL A 40 0.140 -8.152 -7.701 1.00 0.00 C ATOM 665 CG1 VAL A 40 0.931 -8.674 -8.881 1.00 0.00 C ATOM 666 CG2 VAL A 40 -1.299 -8.364 -8.264 1.00 0.00 C ATOM 0 H VAL A 40 1.611 -10.211 -6.226 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.164 -7.982 -5.668 1.00 0.00 H new ATOM 0 HB VAL A 40 0.558 -7.177 -7.449 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.744 -8.045 -9.751 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.994 -8.657 -8.642 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.625 -9.697 -9.100 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.369 -7.923 -9.258 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.513 -9.431 -8.324 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.022 -7.886 -7.603 1.00 0.00 H new ATOM 676 N ILE A 41 -2.090 -9.039 -5.355 1.00 0.00 N ATOM 677 CA ILE A 41 -3.329 -9.636 -4.879 1.00 0.00 C ATOM 678 C ILE A 41 -4.473 -8.880 -5.565 1.00 0.00 C ATOM 679 O ILE A 41 -4.627 -7.686 -5.306 1.00 0.00 O ATOM 680 CB ILE A 41 -3.421 -9.490 -3.339 1.00 0.00 C ATOM 681 CG1 ILE A 41 -2.191 -10.078 -2.625 1.00 0.00 C ATOM 682 CG2 ILE A 41 -4.708 -10.131 -2.799 1.00 0.00 C ATOM 683 CD1 ILE A 41 -2.218 -9.901 -1.107 1.00 0.00 C ATOM 0 H ILE A 41 -2.135 -8.020 -5.337 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.378 -10.700 -5.113 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.446 -8.421 -3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.121 -11.141 -2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.292 -9.606 -3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.746 -10.014 -1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.573 -9.643 -3.248 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.719 -11.192 -3.050 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.319 -10.340 -0.673 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.256 -8.839 -0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -3.098 -10.398 -0.698 1.00 0.00 H new ATOM 695 N PHE A 42 -5.253 -9.528 -6.438 1.00 0.00 N ATOM 696 CA PHE A 42 -6.389 -8.878 -7.095 1.00 0.00 C ATOM 697 C PHE A 42 -7.421 -8.420 -6.064 1.00 0.00 C ATOM 698 O PHE A 42 -7.764 -9.158 -5.135 1.00 0.00 O ATOM 699 CB PHE A 42 -7.071 -9.825 -8.099 1.00 0.00 C ATOM 700 CG PHE A 42 -6.265 -10.222 -9.324 1.00 0.00 C ATOM 701 CD1 PHE A 42 -5.350 -9.321 -9.889 1.00 0.00 C ATOM 702 CD2 PHE A 42 -6.460 -11.473 -9.937 1.00 0.00 C ATOM 703 CE1 PHE A 42 -4.606 -9.663 -11.025 1.00 0.00 C ATOM 704 CE2 PHE A 42 -5.738 -11.810 -11.098 1.00 0.00 C ATOM 705 CZ PHE A 42 -4.806 -10.909 -11.639 1.00 0.00 C ATOM 0 H PHE A 42 -5.117 -10.503 -6.705 1.00 0.00 H new ATOM 0 HA PHE A 42 -5.999 -8.013 -7.631 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.354 -10.735 -7.569 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.993 -9.353 -8.438 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -5.217 -8.348 -9.440 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.164 -12.176 -9.517 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.881 -8.971 -11.427 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.902 -12.765 -11.575 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.246 -11.174 -12.524 1.00 0.00 H new ATOM 715 N ASN A 43 -7.919 -7.202 -6.252 1.00 0.00 N ATOM 716 CA ASN A 43 -8.930 -6.583 -5.415 1.00 0.00 C ATOM 717 C ASN A 43 -10.303 -7.068 -5.873 1.00 0.00 C ATOM 718 O ASN A 43 -10.942 -6.416 -6.696 1.00 0.00 O ATOM 719 CB ASN A 43 -8.839 -5.045 -5.473 1.00 0.00 C ATOM 720 CG ASN A 43 -9.941 -4.437 -4.608 1.00 0.00 C ATOM 721 OD1 ASN A 43 -10.241 -4.980 -3.553 1.00 0.00 O ATOM 722 ND2 ASN A 43 -10.567 -3.341 -5.007 1.00 0.00 N ATOM 0 H ASN A 43 -7.616 -6.602 -7.019 1.00 0.00 H new ATOM 0 HA ASN A 43 -8.767 -6.871 -4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.862 -4.714 -5.121 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.940 -4.703 -6.503 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -11.309 -2.940 -4.433 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.308 -2.898 -5.888 1.00 0.00 H new ATOM 729 N ASP A 44 -10.747 -8.220 -5.365 1.00 0.00 N ATOM 730 CA ASP A 44 -12.123 -8.678 -5.570 1.00 0.00 C ATOM 731 C ASP A 44 -12.672 -9.070 -4.195 1.00 0.00 C ATOM 732 O ASP A 44 -13.249 -8.240 -3.490 1.00 0.00 O ATOM 733 CB ASP A 44 -12.210 -9.837 -6.589 1.00 0.00 C ATOM 734 CG ASP A 44 -12.064 -9.456 -8.074 1.00 0.00 C ATOM 735 OD1 ASP A 44 -12.921 -8.718 -8.611 1.00 0.00 O ATOM 736 OD2 ASP A 44 -11.131 -10.001 -8.720 1.00 0.00 O ATOM 0 H ASP A 44 -10.173 -8.853 -4.808 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.726 -7.881 -6.005 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.436 -10.565 -6.345 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.170 -10.336 -6.457 1.00 0.00 H new ATOM 741 N GLU A 45 -12.423 -10.309 -3.752 1.00 0.00 N ATOM 742 CA GLU A 45 -13.016 -10.856 -2.533 1.00 0.00 C ATOM 743 C GLU A 45 -11.968 -11.515 -1.644 1.00 0.00 C ATOM 744 O GLU A 45 -11.682 -11.009 -0.553 1.00 0.00 O ATOM 745 CB GLU A 45 -14.177 -11.798 -2.859 1.00 0.00 C ATOM 746 CG GLU A 45 -13.933 -12.882 -3.919 1.00 0.00 C ATOM 747 CD GLU A 45 -15.171 -13.764 -4.077 1.00 0.00 C ATOM 748 OE1 GLU A 45 -15.894 -13.987 -3.076 1.00 0.00 O ATOM 749 OE2 GLU A 45 -15.395 -14.228 -5.218 1.00 0.00 O ATOM 0 H GLU A 45 -11.802 -10.959 -4.233 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.429 -10.025 -1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.479 -12.292 -1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.021 -11.191 -3.186 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -13.686 -12.417 -4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -13.078 -13.494 -3.632 1.00 0.00 H new ATOM 756 N SER A 46 -11.338 -12.593 -2.125 1.00 0.00 N ATOM 757 CA SER A 46 -10.235 -13.239 -1.427 1.00 0.00 C ATOM 758 C SER A 46 -9.111 -12.243 -1.199 1.00 0.00 C ATOM 759 O SER A 46 -8.371 -12.423 -0.242 1.00 0.00 O ATOM 760 CB SER A 46 -9.687 -14.426 -2.223 1.00 0.00 C ATOM 761 OG SER A 46 -9.876 -15.646 -1.532 1.00 0.00 O ATOM 0 H SER A 46 -11.583 -13.037 -3.010 1.00 0.00 H new ATOM 0 HA SER A 46 -10.618 -13.603 -0.473 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.183 -14.475 -3.192 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.625 -14.277 -2.416 1.00 0.00 H new ATOM 0 HG SER A 46 -9.517 -16.384 -2.067 1.00 0.00 H new ATOM 767 N GLY A 47 -9.031 -11.190 -2.022 1.00 0.00 N ATOM 768 CA GLY A 47 -8.084 -10.116 -1.865 1.00 0.00 C ATOM 769 C GLY A 47 -8.215 -9.506 -0.483 1.00 0.00 C ATOM 770 O GLY A 47 -7.398 -9.787 0.377 1.00 0.00 O ATOM 0 H GLY A 47 -9.644 -11.073 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.071 -10.490 -2.012 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.256 -9.354 -2.625 1.00 0.00 H new ATOM 774 N LYS A 48 -9.266 -8.727 -0.223 1.00 0.00 N ATOM 775 CA LYS A 48 -9.426 -8.021 1.049 1.00 0.00 C ATOM 776 C LYS A 48 -9.420 -8.989 2.233 1.00 0.00 C ATOM 777 O LYS A 48 -8.980 -8.606 3.316 1.00 0.00 O ATOM 778 CB LYS A 48 -10.704 -7.159 0.998 1.00 0.00 C ATOM 779 CG LYS A 48 -10.496 -5.898 0.136 1.00 0.00 C ATOM 780 CD LYS A 48 -11.713 -5.464 -0.695 1.00 0.00 C ATOM 781 CE LYS A 48 -12.795 -4.590 -0.043 1.00 0.00 C ATOM 782 NZ LYS A 48 -13.597 -3.907 -1.088 1.00 0.00 N ATOM 0 H LYS A 48 -10.026 -8.568 -0.884 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.574 -7.358 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.526 -7.748 0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.989 -6.868 2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.210 -5.074 0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.659 -6.074 -0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.340 -4.927 -1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.199 -6.368 -1.061 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.444 -5.205 0.580 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.332 -3.852 0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.326 -3.318 -0.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.975 -3.306 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.053 -4.617 -1.695 1.00 0.00 H new ATOM 796 N LYS A 49 -9.826 -10.254 2.047 1.00 0.00 N ATOM 797 CA LYS A 49 -9.660 -11.249 3.091 1.00 0.00 C ATOM 798 C LYS A 49 -8.183 -11.533 3.376 1.00 0.00 C ATOM 799 O LYS A 49 -7.815 -11.561 4.555 1.00 0.00 O ATOM 800 CB LYS A 49 -10.345 -12.567 2.729 1.00 0.00 C ATOM 801 CG LYS A 49 -11.863 -12.603 2.936 1.00 0.00 C ATOM 802 CD LYS A 49 -12.314 -14.070 2.900 1.00 0.00 C ATOM 803 CE LYS A 49 -13.817 -14.250 2.693 1.00 0.00 C ATOM 804 NZ LYS A 49 -14.608 -14.479 3.917 1.00 0.00 N ATOM 0 H LYS A 49 -10.264 -10.599 1.193 1.00 0.00 H new ATOM 0 HA LYS A 49 -10.126 -10.829 3.983 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -10.134 -12.790 1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -9.896 -13.364 3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -12.128 -12.146 3.890 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.367 -12.030 2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.783 -14.584 2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -12.025 -14.552 3.834 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -14.205 -13.363 2.192 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -13.974 -15.091 2.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -15.612 -14.588 3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -14.274 -15.343 4.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -14.497 -13.668 4.559 1.00 0.00 H new ATOM 818 N SER A 50 -7.388 -11.824 2.340 1.00 0.00 N ATOM 819 CA SER A 50 -6.003 -12.264 2.430 1.00 0.00 C ATOM 820 C SER A 50 -5.157 -11.194 3.115 1.00 0.00 C ATOM 821 O SER A 50 -4.316 -11.531 3.938 1.00 0.00 O ATOM 822 CB SER A 50 -5.460 -12.637 1.033 1.00 0.00 C ATOM 823 OG SER A 50 -5.102 -11.530 0.248 1.00 0.00 O ATOM 0 H SER A 50 -7.713 -11.754 1.376 1.00 0.00 H new ATOM 0 HA SER A 50 -5.949 -13.164 3.042 1.00 0.00 H new ATOM 0 HB2 SER A 50 -4.589 -13.282 1.153 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.216 -13.217 0.503 1.00 0.00 H new ATOM 0 HG SER A 50 -5.838 -10.883 0.239 1.00 0.00 H new ATOM 829 N ILE A 51 -5.431 -9.914 2.853 1.00 0.00 N ATOM 830 CA ILE A 51 -4.732 -8.752 3.405 1.00 0.00 C ATOM 831 C ILE A 51 -4.672 -8.825 4.937 1.00 0.00 C ATOM 832 O ILE A 51 -3.637 -8.573 5.558 1.00 0.00 O ATOM 833 CB ILE A 51 -5.473 -7.473 2.928 1.00 0.00 C ATOM 834 CG1 ILE A 51 -5.385 -7.371 1.393 1.00 0.00 C ATOM 835 CG2 ILE A 51 -4.937 -6.193 3.577 1.00 0.00 C ATOM 836 CD1 ILE A 51 -5.980 -6.113 0.764 1.00 0.00 C ATOM 0 H ILE A 51 -6.184 -9.647 2.219 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.701 -8.732 3.051 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.513 -7.565 3.240 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.336 -7.434 1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.886 -8.238 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.495 -5.334 3.203 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.052 -6.258 4.659 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -3.882 -6.075 3.331 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.859 -6.155 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -7.040 -6.051 1.008 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -5.466 -5.234 1.153 1.00 0.00 H new ATOM 848 N VAL A 52 -5.790 -9.160 5.579 1.00 0.00 N ATOM 849 CA VAL A 52 -5.861 -9.344 7.023 1.00 0.00 C ATOM 850 C VAL A 52 -4.861 -10.424 7.469 1.00 0.00 C ATOM 851 O VAL A 52 -4.166 -10.231 8.466 1.00 0.00 O ATOM 852 CB VAL A 52 -7.316 -9.653 7.430 1.00 0.00 C ATOM 853 CG1 VAL A 52 -7.477 -9.727 8.953 1.00 0.00 C ATOM 854 CG2 VAL A 52 -8.284 -8.574 6.909 1.00 0.00 C ATOM 0 H VAL A 52 -6.680 -9.312 5.104 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.572 -8.428 7.538 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.554 -10.620 6.986 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.516 -9.946 9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.836 -10.515 9.349 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.193 -8.772 9.396 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -9.301 -8.821 7.212 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.006 -7.605 7.324 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.230 -8.532 5.821 1.00 0.00 H new ATOM 864 N LYS A 53 -4.756 -11.537 6.735 1.00 0.00 N ATOM 865 CA LYS A 53 -3.827 -12.614 7.064 1.00 0.00 C ATOM 866 C LYS A 53 -2.390 -12.248 6.703 1.00 0.00 C ATOM 867 O LYS A 53 -1.459 -12.734 7.343 1.00 0.00 O ATOM 868 CB LYS A 53 -4.199 -13.922 6.338 1.00 0.00 C ATOM 869 CG LYS A 53 -5.326 -14.700 7.026 1.00 0.00 C ATOM 870 CD LYS A 53 -6.729 -14.250 6.608 1.00 0.00 C ATOM 871 CE LYS A 53 -7.718 -14.936 7.549 1.00 0.00 C ATOM 872 NZ LYS A 53 -9.109 -14.860 7.069 1.00 0.00 N ATOM 0 H LYS A 53 -5.313 -11.713 5.899 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.901 -12.763 8.141 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.499 -13.689 5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.316 -14.557 6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.213 -15.761 6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.225 -14.590 8.106 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -6.822 -13.166 6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.929 -14.524 5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.435 -15.982 7.666 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.653 -14.476 8.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.736 -15.341 7.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.392 -13.863 6.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.182 -15.322 6.140 1.00 0.00 H new ATOM 886 N GLU A 54 -2.181 -11.432 5.669 1.00 0.00 N ATOM 887 CA GLU A 54 -0.852 -11.092 5.191 1.00 0.00 C ATOM 888 C GLU A 54 -0.191 -10.110 6.174 1.00 0.00 C ATOM 889 O GLU A 54 1.034 -10.000 6.181 1.00 0.00 O ATOM 890 CB GLU A 54 -0.910 -10.554 3.749 1.00 0.00 C ATOM 891 CG GLU A 54 -0.936 -9.044 3.567 1.00 0.00 C ATOM 892 CD GLU A 54 -0.841 -8.717 2.082 1.00 0.00 C ATOM 893 OE1 GLU A 54 0.215 -9.060 1.495 1.00 0.00 O ATOM 894 OE2 GLU A 54 -1.753 -8.046 1.556 1.00 0.00 O ATOM 0 H GLU A 54 -2.934 -10.990 5.142 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.231 -11.987 5.153 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.047 -10.944 3.209 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.798 -10.966 3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.854 -8.631 3.985 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.107 -8.586 4.106 1.00 0.00 H new ATOM 901 N ASN A 55 -1.006 -9.436 7.000 1.00 0.00 N ATOM 902 CA ASN A 55 -0.656 -8.491 8.060 1.00 0.00 C ATOM 903 C ASN A 55 0.303 -7.400 7.573 1.00 0.00 C ATOM 904 O ASN A 55 1.375 -7.173 8.136 1.00 0.00 O ATOM 905 CB ASN A 55 -0.206 -9.240 9.324 1.00 0.00 C ATOM 906 CG ASN A 55 -0.482 -8.489 10.626 1.00 0.00 C ATOM 907 OD1 ASN A 55 -1.398 -7.675 10.761 1.00 0.00 O ATOM 908 ND2 ASN A 55 0.270 -8.823 11.659 1.00 0.00 N ATOM 0 H ASN A 55 -2.017 -9.553 6.933 1.00 0.00 H new ATOM 0 HA ASN A 55 -1.549 -7.937 8.349 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.711 -10.206 9.360 1.00 0.00 H new ATOM 0 HB3 ASN A 55 0.863 -9.441 9.253 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.094 -8.407 12.574 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.027 -9.497 11.542 1.00 0.00 H new ATOM 915 N VAL A 56 -0.144 -6.719 6.510 1.00 0.00 N ATOM 916 CA VAL A 56 0.487 -5.540 5.912 1.00 0.00 C ATOM 917 C VAL A 56 0.943 -4.541 6.983 1.00 0.00 C ATOM 918 O VAL A 56 0.236 -4.344 7.968 1.00 0.00 O ATOM 919 CB VAL A 56 -0.505 -4.811 4.972 1.00 0.00 C ATOM 920 CG1 VAL A 56 0.237 -4.010 3.922 1.00 0.00 C ATOM 921 CG2 VAL A 56 -1.494 -5.686 4.206 1.00 0.00 C ATOM 0 H VAL A 56 -0.997 -6.990 6.021 1.00 0.00 H new ATOM 0 HA VAL A 56 1.353 -5.895 5.353 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.077 -4.200 5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.481 -3.507 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.868 -3.267 4.410 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.858 -4.679 3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.131 -5.057 3.585 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.947 -6.385 3.573 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.111 -6.242 4.912 1.00 0.00 H new ATOM 931 N ASN A 57 2.080 -3.881 6.736 1.00 0.00 N ATOM 932 CA ASN A 57 2.617 -2.794 7.555 1.00 0.00 C ATOM 933 C ASN A 57 1.991 -1.451 7.170 1.00 0.00 C ATOM 934 O ASN A 57 1.714 -0.615 8.028 1.00 0.00 O ATOM 935 CB ASN A 57 4.138 -2.688 7.329 1.00 0.00 C ATOM 936 CG ASN A 57 4.881 -2.490 8.622 1.00 0.00 C ATOM 937 OD1 ASN A 57 5.332 -3.457 9.235 1.00 0.00 O ATOM 938 ND2 ASN A 57 5.026 -1.260 9.052 1.00 0.00 N ATOM 0 H ASN A 57 2.670 -4.098 5.933 1.00 0.00 H new ATOM 0 HA ASN A 57 2.388 -3.015 8.597 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.497 -3.593 6.838 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.349 -1.856 6.657 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.527 -1.080 9.922 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.638 -0.483 8.516 1.00 0.00 H new ATOM 945 N ALA A 58 1.799 -1.232 5.862 1.00 0.00 N ATOM 946 CA ALA A 58 1.480 0.063 5.286 1.00 0.00 C ATOM 947 C ALA A 58 0.512 -0.032 4.090 1.00 0.00 C ATOM 948 O ALA A 58 0.397 -1.083 3.469 1.00 0.00 O ATOM 949 CB ALA A 58 2.807 0.692 4.867 1.00 0.00 C ATOM 0 H ALA A 58 1.865 -1.975 5.166 1.00 0.00 H new ATOM 0 HA ALA A 58 0.960 0.674 6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.622 1.672 4.426 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.449 0.803 5.741 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.298 0.051 4.135 1.00 0.00 H new ATOM 955 N ILE A 59 -0.165 1.045 3.702 1.00 0.00 N ATOM 956 CA ILE A 59 -1.002 1.120 2.495 1.00 0.00 C ATOM 957 C ILE A 59 -0.655 2.403 1.726 1.00 0.00 C ATOM 958 O ILE A 59 -1.075 3.472 2.150 1.00 0.00 O ATOM 959 CB ILE A 59 -2.509 1.072 2.867 1.00 0.00 C ATOM 960 CG1 ILE A 59 -2.853 -0.164 3.724 1.00 0.00 C ATOM 961 CG2 ILE A 59 -3.418 1.102 1.627 1.00 0.00 C ATOM 962 CD1 ILE A 59 -4.342 -0.355 4.029 1.00 0.00 C ATOM 0 H ILE A 59 -0.150 1.918 4.230 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.802 0.260 1.856 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.696 1.971 3.454 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.487 -1.054 3.212 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.312 -0.094 4.668 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.462 1.067 1.940 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -3.238 2.019 1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.199 0.241 0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.477 -1.250 4.636 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.716 0.512 4.573 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -4.894 -0.463 3.095 1.00 0.00 H new ATOM 974 N ILE A 60 0.068 2.344 0.604 1.00 0.00 N ATOM 975 CA ILE A 60 0.211 3.499 -0.289 1.00 0.00 C ATOM 976 C ILE A 60 -1.091 3.576 -1.090 1.00 0.00 C ATOM 977 O ILE A 60 -1.450 2.575 -1.717 1.00 0.00 O ATOM 978 CB ILE A 60 1.443 3.368 -1.229 1.00 0.00 C ATOM 979 CG1 ILE A 60 2.735 3.111 -0.423 1.00 0.00 C ATOM 980 CG2 ILE A 60 1.603 4.657 -2.060 1.00 0.00 C ATOM 981 CD1 ILE A 60 4.045 3.104 -1.210 1.00 0.00 C ATOM 0 H ILE A 60 0.564 1.509 0.292 1.00 0.00 H new ATOM 0 HA ILE A 60 0.384 4.409 0.286 1.00 0.00 H new ATOM 0 HB ILE A 60 1.276 2.518 -1.891 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.809 3.872 0.354 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.636 2.150 0.081 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.467 4.561 -2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.707 4.817 -2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.748 5.505 -1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.876 2.913 -0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.009 2.322 -1.969 1.00 0.00 H new ATOM 0 HD13 ILE A 60 4.185 4.071 -1.692 1.00 0.00 H new ATOM 993 N CYS A 61 -1.762 4.731 -1.150 1.00 0.00 N ATOM 994 CA CYS A 61 -2.876 4.984 -2.069 1.00 0.00 C ATOM 995 C CYS A 61 -2.969 6.474 -2.432 1.00 0.00 C ATOM 996 O CYS A 61 -2.328 7.315 -1.802 1.00 0.00 O ATOM 997 CB CYS A 61 -4.198 4.437 -1.498 1.00 0.00 C ATOM 998 SG CYS A 61 -4.472 4.897 0.238 1.00 0.00 S ATOM 0 H CYS A 61 -1.543 5.528 -0.552 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.682 4.445 -2.997 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.027 4.807 -2.101 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.202 3.350 -1.584 1.00 0.00 H new ATOM 0 HG CYS A 61 -5.342 4.090 0.769 1.00 0.00 H new ATOM 1004 N LYS A 62 -3.777 6.801 -3.445 1.00 0.00 N ATOM 1005 CA LYS A 62 -4.246 8.146 -3.777 1.00 0.00 C ATOM 1006 C LYS A 62 -5.438 8.493 -2.898 1.00 0.00 C ATOM 1007 O LYS A 62 -5.466 9.585 -2.352 1.00 0.00 O ATOM 1008 CB LYS A 62 -4.649 8.227 -5.263 1.00 0.00 C ATOM 1009 CG LYS A 62 -3.407 8.351 -6.149 1.00 0.00 C ATOM 1010 CD LYS A 62 -3.674 8.171 -7.654 1.00 0.00 C ATOM 1011 CE LYS A 62 -3.541 9.447 -8.480 1.00 0.00 C ATOM 1012 NZ LYS A 62 -4.763 10.290 -8.476 1.00 0.00 N ATOM 0 H LYS A 62 -4.139 6.097 -4.088 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.439 8.857 -3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.214 7.338 -5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.304 9.084 -5.422 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.958 9.331 -5.988 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -2.675 7.609 -5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.981 7.426 -8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.680 7.772 -7.786 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -2.705 10.032 -8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.298 9.180 -9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.767 10.900 -9.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -5.605 9.680 -8.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.774 10.881 -7.620 1.00 0.00 H new ATOM 1026 N ASN A 63 -6.409 7.593 -2.726 1.00 0.00 N ATOM 1027 CA ASN A 63 -7.566 7.864 -1.876 1.00 0.00 C ATOM 1028 C ASN A 63 -8.039 6.580 -1.222 1.00 0.00 C ATOM 1029 O ASN A 63 -7.673 5.481 -1.640 1.00 0.00 O ATOM 1030 CB ASN A 63 -8.703 8.531 -2.674 1.00 0.00 C ATOM 1031 CG ASN A 63 -8.514 10.037 -2.711 1.00 0.00 C ATOM 1032 OD1 ASN A 63 -8.428 10.675 -1.669 1.00 0.00 O ATOM 1033 ND2 ASN A 63 -8.408 10.640 -3.880 1.00 0.00 N ATOM 0 H ASN A 63 -6.415 6.672 -3.164 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.265 8.563 -1.096 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.723 8.136 -3.690 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.664 8.290 -2.220 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -8.253 11.647 -3.922 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -8.481 10.099 -4.741 1.00 0.00 H new ATOM 1040 N ILE A 64 -8.861 6.718 -0.189 1.00 0.00 N ATOM 1041 CA ILE A 64 -9.351 5.637 0.645 1.00 0.00 C ATOM 1042 C ILE A 64 -10.685 6.118 1.226 1.00 0.00 C ATOM 1043 O ILE A 64 -10.803 7.284 1.586 1.00 0.00 O ATOM 1044 CB ILE A 64 -8.262 5.295 1.698 1.00 0.00 C ATOM 1045 CG1 ILE A 64 -8.699 4.105 2.577 1.00 0.00 C ATOM 1046 CG2 ILE A 64 -7.822 6.510 2.546 1.00 0.00 C ATOM 1047 CD1 ILE A 64 -7.544 3.482 3.376 1.00 0.00 C ATOM 0 H ILE A 64 -9.218 7.629 0.100 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.538 4.706 0.110 1.00 0.00 H new ATOM 0 HB ILE A 64 -7.375 4.997 1.140 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -9.472 4.439 3.269 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.147 3.340 1.943 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.060 6.198 3.260 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.413 7.281 1.893 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.682 6.909 3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.921 2.651 3.972 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.780 3.118 2.688 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.110 4.234 4.035 1.00 0.00 H new ATOM 1059 N SER A 65 -11.700 5.256 1.277 1.00 0.00 N ATOM 1060 CA SER A 65 -13.019 5.625 1.791 1.00 0.00 C ATOM 1061 C SER A 65 -12.986 5.763 3.308 1.00 0.00 C ATOM 1062 O SER A 65 -12.134 5.159 3.953 1.00 0.00 O ATOM 1063 CB SER A 65 -14.041 4.595 1.297 1.00 0.00 C ATOM 1064 OG SER A 65 -14.276 4.960 -0.054 1.00 0.00 O ATOM 0 H SER A 65 -11.632 4.287 0.965 1.00 0.00 H new ATOM 0 HA SER A 65 -13.320 6.602 1.413 1.00 0.00 H new ATOM 0 HB2 SER A 65 -13.652 3.580 1.374 1.00 0.00 H new ATOM 0 HB3 SER A 65 -14.958 4.630 1.885 1.00 0.00 H new ATOM 0 HG SER A 65 -14.926 4.343 -0.451 1.00 0.00 H new ATOM 1070 N GLU A 66 -13.908 6.538 3.881 1.00 0.00 N ATOM 1071 CA GLU A 66 -13.872 6.892 5.293 1.00 0.00 C ATOM 1072 C GLU A 66 -14.100 5.664 6.184 1.00 0.00 C ATOM 1073 O GLU A 66 -13.500 5.578 7.261 1.00 0.00 O ATOM 1074 CB GLU A 66 -14.830 8.069 5.584 1.00 0.00 C ATOM 1075 CG GLU A 66 -14.717 8.514 7.055 1.00 0.00 C ATOM 1076 CD GLU A 66 -15.306 9.886 7.390 1.00 0.00 C ATOM 1077 OE1 GLU A 66 -15.210 10.816 6.567 1.00 0.00 O ATOM 1078 OE2 GLU A 66 -15.739 10.074 8.556 1.00 0.00 O ATOM 0 H GLU A 66 -14.699 6.936 3.375 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.873 7.247 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.595 8.906 4.927 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.856 7.771 5.367 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -15.210 7.768 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -13.663 8.516 7.333 1.00 0.00 H new ATOM 1085 N GLU A 67 -14.884 4.673 5.739 1.00 0.00 N ATOM 1086 CA GLU A 67 -15.006 3.431 6.489 1.00 0.00 C ATOM 1087 C GLU A 67 -13.716 2.616 6.412 1.00 0.00 C ATOM 1088 O GLU A 67 -13.186 2.205 7.445 1.00 0.00 O ATOM 1089 CB GLU A 67 -16.223 2.601 6.057 1.00 0.00 C ATOM 1090 CG GLU A 67 -16.802 1.928 7.325 1.00 0.00 C ATOM 1091 CD GLU A 67 -17.603 0.657 7.035 1.00 0.00 C ATOM 1092 OE1 GLU A 67 -18.618 0.731 6.313 1.00 0.00 O ATOM 1093 OE2 GLU A 67 -17.165 -0.431 7.483 1.00 0.00 O ATOM 0 H GLU A 67 -15.431 4.711 4.879 1.00 0.00 H new ATOM 0 HA GLU A 67 -15.173 3.703 7.531 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.972 3.236 5.584 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -15.933 1.849 5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -15.983 1.684 8.002 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.443 2.641 7.843 1.00 0.00 H new ATOM 1100 N ASN A 68 -13.198 2.392 5.197 1.00 0.00 N ATOM 1101 CA ASN A 68 -11.952 1.652 4.992 1.00 0.00 C ATOM 1102 C ASN A 68 -10.813 2.295 5.767 1.00 0.00 C ATOM 1103 O ASN A 68 -10.036 1.585 6.400 1.00 0.00 O ATOM 1104 CB ASN A 68 -11.547 1.605 3.507 1.00 0.00 C ATOM 1105 CG ASN A 68 -12.099 0.409 2.750 1.00 0.00 C ATOM 1106 OD1 ASN A 68 -12.308 -0.666 3.308 1.00 0.00 O ATOM 1107 ND2 ASN A 68 -12.332 0.564 1.460 1.00 0.00 N ATOM 0 H ASN A 68 -13.631 2.719 4.333 1.00 0.00 H new ATOM 0 HA ASN A 68 -12.134 0.638 5.347 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -11.888 2.518 3.020 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -10.459 1.594 3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -12.691 -0.216 0.909 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -12.153 1.464 1.014 1.00 0.00 H new ATOM 1114 N TYR A 69 -10.713 3.621 5.727 1.00 0.00 N ATOM 1115 CA TYR A 69 -9.652 4.383 6.352 1.00 0.00 C ATOM 1116 C TYR A 69 -9.574 4.022 7.830 1.00 0.00 C ATOM 1117 O TYR A 69 -8.566 3.471 8.253 1.00 0.00 O ATOM 1118 CB TYR A 69 -9.856 5.890 6.147 1.00 0.00 C ATOM 1119 CG TYR A 69 -8.801 6.686 6.883 1.00 0.00 C ATOM 1120 CD1 TYR A 69 -7.483 6.698 6.395 1.00 0.00 C ATOM 1121 CD2 TYR A 69 -9.099 7.308 8.110 1.00 0.00 C ATOM 1122 CE1 TYR A 69 -6.453 7.280 7.147 1.00 0.00 C ATOM 1123 CE2 TYR A 69 -8.081 7.942 8.838 1.00 0.00 C ATOM 1124 CZ TYR A 69 -6.749 7.901 8.381 1.00 0.00 C ATOM 1125 OH TYR A 69 -5.755 8.392 9.170 1.00 0.00 O ATOM 0 H TYR A 69 -11.393 4.207 5.242 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.703 4.128 5.880 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -9.817 6.124 5.083 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -10.846 6.178 6.501 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -7.262 6.256 5.435 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -10.110 7.297 8.490 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -5.436 7.254 6.784 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.320 8.464 9.753 1.00 0.00 H new ATOM 0 HH TYR A 69 -4.992 8.651 8.612 1.00 0.00 H new ATOM 1135 N LYS A 70 -10.651 4.257 8.592 1.00 0.00 N ATOM 1136 CA LYS A 70 -10.682 4.028 10.048 1.00 0.00 C ATOM 1137 C LYS A 70 -10.512 2.553 10.415 1.00 0.00 C ATOM 1138 O LYS A 70 -10.278 2.226 11.581 1.00 0.00 O ATOM 1139 CB LYS A 70 -11.968 4.588 10.679 1.00 0.00 C ATOM 1140 CG LYS A 70 -12.113 6.078 10.372 1.00 0.00 C ATOM 1141 CD LYS A 70 -13.379 6.625 11.039 1.00 0.00 C ATOM 1142 CE LYS A 70 -13.923 7.756 10.162 1.00 0.00 C ATOM 1143 NZ LYS A 70 -15.042 8.515 10.746 1.00 0.00 N ATOM 0 H LYS A 70 -11.530 4.613 8.217 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.828 4.568 10.457 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.833 4.046 10.296 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.947 4.434 11.758 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.238 6.620 10.732 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.163 6.233 9.294 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.123 5.836 11.149 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.154 6.993 12.040 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.110 8.448 9.943 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.248 7.334 9.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.537 9.037 9.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.705 7.858 11.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -14.676 9.187 11.450 1.00 0.00 H new ATOM 1157 N LYS A 71 -10.708 1.649 9.457 1.00 0.00 N ATOM 1158 CA LYS A 71 -10.612 0.214 9.633 1.00 0.00 C ATOM 1159 C LYS A 71 -9.172 -0.246 9.453 1.00 0.00 C ATOM 1160 O LYS A 71 -8.639 -0.974 10.298 1.00 0.00 O ATOM 1161 CB LYS A 71 -11.600 -0.426 8.654 1.00 0.00 C ATOM 1162 CG LYS A 71 -11.582 -1.950 8.756 1.00 0.00 C ATOM 1163 CD LYS A 71 -12.955 -2.560 8.439 1.00 0.00 C ATOM 1164 CE LYS A 71 -13.360 -3.527 9.546 1.00 0.00 C ATOM 1165 NZ LYS A 71 -12.476 -4.708 9.594 1.00 0.00 N ATOM 0 H LYS A 71 -10.947 1.914 8.502 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.881 -0.096 10.643 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.606 -0.059 8.858 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.351 -0.126 7.636 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -10.838 -2.351 8.067 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -11.277 -2.243 9.761 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -13.700 -1.770 8.343 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -12.919 -3.082 7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -13.331 -3.012 10.506 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -14.389 -3.850 9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -12.834 -5.381 10.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.457 -5.165 8.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.514 -4.411 9.854 1.00 0.00 H new ATOM 1179 N PHE A 72 -8.545 0.137 8.345 1.00 0.00 N ATOM 1180 CA PHE A 72 -7.180 -0.251 8.042 1.00 0.00 C ATOM 1181 C PHE A 72 -6.173 0.561 8.866 1.00 0.00 C ATOM 1182 O PHE A 72 -5.149 0.005 9.263 1.00 0.00 O ATOM 1183 CB PHE A 72 -6.948 -0.167 6.528 1.00 0.00 C ATOM 1184 CG PHE A 72 -7.556 -1.350 5.782 1.00 0.00 C ATOM 1185 CD1 PHE A 72 -6.875 -2.579 5.779 1.00 0.00 C ATOM 1186 CD2 PHE A 72 -8.807 -1.270 5.141 1.00 0.00 C ATOM 1187 CE1 PHE A 72 -7.415 -3.711 5.147 1.00 0.00 C ATOM 1188 CE2 PHE A 72 -9.370 -2.410 4.533 1.00 0.00 C ATOM 1189 CZ PHE A 72 -8.676 -3.636 4.536 1.00 0.00 C ATOM 0 H PHE A 72 -8.975 0.727 7.632 1.00 0.00 H new ATOM 0 HA PHE A 72 -7.018 -1.288 8.335 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -7.379 0.759 6.148 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -5.877 -0.126 6.329 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.917 -2.655 6.272 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -9.338 -0.330 5.115 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.861 -4.638 5.131 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -10.340 -2.343 4.062 1.00 0.00 H new ATOM 0 HZ PHE A 72 -9.110 -4.510 4.073 1.00 0.00 H new ATOM 1199 N SER A 73 -6.482 1.811 9.229 1.00 0.00 N ATOM 1200 CA SER A 73 -5.611 2.679 10.028 1.00 0.00 C ATOM 1201 C SER A 73 -5.337 2.153 11.439 1.00 0.00 C ATOM 1202 O SER A 73 -4.534 2.724 12.170 1.00 0.00 O ATOM 1203 CB SER A 73 -6.201 4.095 10.107 1.00 0.00 C ATOM 1204 OG SER A 73 -7.413 4.127 10.843 1.00 0.00 O ATOM 0 H SER A 73 -7.363 2.256 8.970 1.00 0.00 H new ATOM 0 HA SER A 73 -4.650 2.695 9.513 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.477 4.764 10.572 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.379 4.470 9.099 1.00 0.00 H new ATOM 0 HG SER A 73 -7.755 5.045 10.871 1.00 0.00 H new ATOM 1210 N LYS A 74 -6.011 1.084 11.864 1.00 0.00 N ATOM 1211 CA LYS A 74 -5.926 0.606 13.233 1.00 0.00 C ATOM 1212 C LYS A 74 -4.681 -0.259 13.455 1.00 0.00 C ATOM 1213 O LYS A 74 -4.274 -0.409 14.608 1.00 0.00 O ATOM 1214 CB LYS A 74 -7.265 -0.064 13.584 1.00 0.00 C ATOM 1215 CG LYS A 74 -7.521 -0.123 15.096 1.00 0.00 C ATOM 1216 CD LYS A 74 -7.136 -1.464 15.727 1.00 0.00 C ATOM 1217 CE LYS A 74 -8.155 -2.551 15.388 1.00 0.00 C ATOM 1218 NZ LYS A 74 -9.119 -2.750 16.486 1.00 0.00 N ATOM 0 H LYS A 74 -6.627 0.531 11.268 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.783 1.430 13.932 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -8.077 0.482 13.104 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.278 -1.076 13.178 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -6.959 0.674 15.583 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.577 0.069 15.286 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.150 -1.765 15.374 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -7.067 -1.352 16.809 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.690 -2.279 14.478 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -7.635 -3.487 15.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.796 -3.494 16.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.610 -3.034 17.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.632 -1.863 16.663 1.00 0.00 H new ATOM 1232 N LYS A 75 -4.061 -0.820 12.408 1.00 0.00 N ATOM 1233 CA LYS A 75 -2.793 -1.557 12.527 1.00 0.00 C ATOM 1234 C LYS A 75 -1.894 -1.361 11.303 1.00 0.00 C ATOM 1235 O LYS A 75 -0.866 -2.022 11.201 1.00 0.00 O ATOM 1236 CB LYS A 75 -3.086 -3.057 12.738 1.00 0.00 C ATOM 1237 CG LYS A 75 -1.944 -3.857 13.406 1.00 0.00 C ATOM 1238 CD LYS A 75 -2.240 -4.197 14.871 1.00 0.00 C ATOM 1239 CE LYS A 75 -1.090 -5.028 15.457 1.00 0.00 C ATOM 1240 NZ LYS A 75 -1.484 -5.718 16.704 1.00 0.00 N ATOM 0 H LYS A 75 -4.423 -0.777 11.455 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.255 -1.159 13.388 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.983 -3.154 13.349 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.308 -3.508 11.771 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.778 -4.779 12.849 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.021 -3.280 13.350 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.369 -3.281 15.447 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.175 -4.753 14.943 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.764 -5.765 14.723 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.238 -4.378 15.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.679 -6.267 17.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.771 -5.015 17.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -2.280 -6.358 16.510 1.00 0.00 H new ATOM 1254 N ILE A 76 -2.307 -0.543 10.333 1.00 0.00 N ATOM 1255 CA ILE A 76 -1.628 -0.406 9.052 1.00 0.00 C ATOM 1256 C ILE A 76 -1.516 1.082 8.735 1.00 0.00 C ATOM 1257 O ILE A 76 -2.499 1.825 8.803 1.00 0.00 O ATOM 1258 CB ILE A 76 -2.357 -1.178 7.927 1.00 0.00 C ATOM 1259 CG1 ILE A 76 -2.969 -2.525 8.374 1.00 0.00 C ATOM 1260 CG2 ILE A 76 -1.353 -1.403 6.790 1.00 0.00 C ATOM 1261 CD1 ILE A 76 -3.560 -3.310 7.201 1.00 0.00 C ATOM 0 H ILE A 76 -3.133 0.049 10.420 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.633 -0.846 9.116 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.206 -0.574 7.607 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -2.202 -3.127 8.862 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.748 -2.340 9.114 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.838 -1.947 5.979 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.999 -0.440 6.421 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.507 -1.982 7.161 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.978 -4.249 7.565 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.347 -2.721 6.729 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.777 -3.520 6.472 1.00 0.00 H new ATOM 1273 N GLU A 77 -0.310 1.523 8.406 1.00 0.00 N ATOM 1274 CA GLU A 77 0.064 2.914 8.193 1.00 0.00 C ATOM 1275 C GLU A 77 -0.254 3.317 6.753 1.00 0.00 C ATOM 1276 O GLU A 77 0.386 2.843 5.820 1.00 0.00 O ATOM 1277 CB GLU A 77 1.559 3.062 8.505 1.00 0.00 C ATOM 1278 CG GLU A 77 1.845 2.804 9.997 1.00 0.00 C ATOM 1279 CD GLU A 77 3.308 2.460 10.285 1.00 0.00 C ATOM 1280 OE1 GLU A 77 4.192 3.126 9.703 1.00 0.00 O ATOM 1281 OE2 GLU A 77 3.564 1.584 11.144 1.00 0.00 O ATOM 0 H GLU A 77 0.476 0.886 8.273 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.501 3.575 8.850 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.131 2.362 7.896 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.892 4.065 8.236 1.00 0.00 H new ATOM 0 HG2 GLU A 77 1.568 3.688 10.571 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.212 1.987 10.345 1.00 0.00 H new ATOM 1288 N ILE A 78 -1.279 4.132 6.522 1.00 0.00 N ATOM 1289 CA ILE A 78 -1.679 4.490 5.160 1.00 0.00 C ATOM 1290 C ILE A 78 -0.858 5.712 4.715 1.00 0.00 C ATOM 1291 O ILE A 78 -0.769 6.683 5.468 1.00 0.00 O ATOM 1292 CB ILE A 78 -3.209 4.699 5.112 1.00 0.00 C ATOM 1293 CG1 ILE A 78 -3.990 3.427 5.542 1.00 0.00 C ATOM 1294 CG2 ILE A 78 -3.671 5.065 3.696 1.00 0.00 C ATOM 1295 CD1 ILE A 78 -5.038 3.746 6.604 1.00 0.00 C ATOM 0 H ILE A 78 -1.847 4.557 7.255 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.465 3.692 4.449 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.420 5.510 5.809 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.475 2.985 4.672 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.293 2.684 5.929 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.752 5.206 3.691 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.183 5.987 3.381 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.407 4.262 3.008 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.565 2.833 6.881 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.549 4.164 7.484 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.750 4.470 6.207 1.00 0.00 H new ATOM 1307 N TYR A 79 -0.262 5.690 3.514 1.00 0.00 N ATOM 1308 CA TYR A 79 0.538 6.765 2.942 1.00 0.00 C ATOM 1309 C TYR A 79 -0.091 7.292 1.651 1.00 0.00 C ATOM 1310 O TYR A 79 -0.677 6.528 0.881 1.00 0.00 O ATOM 1311 CB TYR A 79 1.965 6.272 2.702 1.00 0.00 C ATOM 1312 CG TYR A 79 2.789 6.059 3.960 1.00 0.00 C ATOM 1313 CD1 TYR A 79 2.622 4.929 4.783 1.00 0.00 C ATOM 1314 CD2 TYR A 79 3.775 7.002 4.282 1.00 0.00 C ATOM 1315 CE1 TYR A 79 3.493 4.715 5.869 1.00 0.00 C ATOM 1316 CE2 TYR A 79 4.654 6.795 5.356 1.00 0.00 C ATOM 1317 CZ TYR A 79 4.527 5.636 6.151 1.00 0.00 C ATOM 1318 OH TYR A 79 5.369 5.396 7.192 1.00 0.00 O ATOM 0 H TYR A 79 -0.332 4.884 2.893 1.00 0.00 H new ATOM 0 HA TYR A 79 0.569 7.595 3.648 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.921 5.333 2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.480 6.992 2.066 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.827 4.227 4.582 1.00 0.00 H new ATOM 0 HD2 TYR A 79 3.860 7.903 3.693 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.370 3.841 6.491 1.00 0.00 H new ATOM 0 HE2 TYR A 79 5.425 7.520 5.573 1.00 0.00 H new ATOM 0 HH TYR A 79 6.026 6.120 7.255 1.00 0.00 H new ATOM 1328 N HIS A 80 0.023 8.601 1.425 1.00 0.00 N ATOM 1329 CA HIS A 80 -0.485 9.302 0.259 1.00 0.00 C ATOM 1330 C HIS A 80 0.586 9.231 -0.824 1.00 0.00 C ATOM 1331 O HIS A 80 1.754 9.492 -0.537 1.00 0.00 O ATOM 1332 CB HIS A 80 -0.809 10.778 0.584 1.00 0.00 C ATOM 1333 CG HIS A 80 -1.826 11.419 -0.348 1.00 0.00 C ATOM 1334 ND1 HIS A 80 -2.128 12.768 -0.430 1.00 0.00 N ATOM 1335 CD2 HIS A 80 -2.615 10.779 -1.271 1.00 0.00 C ATOM 1336 CE1 HIS A 80 -3.072 12.921 -1.385 1.00 0.00 C ATOM 1337 NE2 HIS A 80 -3.343 11.745 -1.959 1.00 0.00 N ATOM 0 H HIS A 80 0.493 9.223 2.082 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.411 8.834 -0.074 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.183 10.838 1.606 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.114 11.356 0.547 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.662 9.713 -1.435 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -3.540 13.859 -1.647 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.965 11.586 -2.751 1.00 0.00 H new ATOM 1345 N ALA A 81 0.204 8.878 -2.050 1.00 0.00 N ATOM 1346 CA ALA A 81 1.133 8.830 -3.172 1.00 0.00 C ATOM 1347 C ALA A 81 1.377 10.232 -3.726 1.00 0.00 C ATOM 1348 O ALA A 81 0.413 10.969 -3.946 1.00 0.00 O ATOM 1349 CB ALA A 81 0.565 7.920 -4.261 1.00 0.00 C ATOM 0 H ALA A 81 -0.753 8.619 -2.290 1.00 0.00 H new ATOM 0 HA ALA A 81 2.087 8.430 -2.829 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.258 7.882 -5.102 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.426 6.916 -3.860 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.394 8.312 -4.599 1.00 0.00 H new ATOM 1355 N GLU A 82 2.630 10.590 -4.018 1.00 0.00 N ATOM 1356 CA GLU A 82 3.032 11.918 -4.495 1.00 0.00 C ATOM 1357 C GLU A 82 2.679 12.208 -5.954 1.00 0.00 C ATOM 1358 O GLU A 82 2.753 13.357 -6.393 1.00 0.00 O ATOM 1359 CB GLU A 82 4.539 12.116 -4.260 1.00 0.00 C ATOM 1360 CG GLU A 82 5.463 11.308 -5.187 1.00 0.00 C ATOM 1361 CD GLU A 82 6.474 12.201 -5.953 1.00 0.00 C ATOM 1362 OE1 GLU A 82 7.409 12.735 -5.319 1.00 0.00 O ATOM 1363 OE2 GLU A 82 6.389 12.365 -7.199 1.00 0.00 O ATOM 0 H GLU A 82 3.416 9.946 -3.927 1.00 0.00 H new ATOM 0 HA GLU A 82 2.452 12.634 -3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.772 13.175 -4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 82 4.766 11.851 -3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.009 10.572 -4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.857 10.755 -5.905 1.00 0.00 H new ATOM 1370 N GLY A 83 2.299 11.163 -6.675 1.00 0.00 N ATOM 1371 CA GLY A 83 2.220 11.083 -8.117 1.00 0.00 C ATOM 1372 C GLY A 83 1.957 9.632 -8.501 1.00 0.00 C ATOM 1373 O GLY A 83 1.991 8.743 -7.648 1.00 0.00 O ATOM 0 H GLY A 83 2.019 10.289 -6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 83 1.422 11.725 -8.490 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.148 11.433 -8.568 1.00 0.00 H new ATOM 1377 N ASP A 84 1.643 9.398 -9.771 1.00 0.00 N ATOM 1378 CA ASP A 84 1.257 8.121 -10.374 1.00 0.00 C ATOM 1379 C ASP A 84 2.432 7.145 -10.411 1.00 0.00 C ATOM 1380 O ASP A 84 2.242 5.953 -10.675 1.00 0.00 O ATOM 1381 CB ASP A 84 0.836 8.327 -11.848 1.00 0.00 C ATOM 1382 CG ASP A 84 -0.180 9.439 -12.131 1.00 0.00 C ATOM 1383 OD1 ASP A 84 0.132 10.611 -11.820 1.00 0.00 O ATOM 1384 OD2 ASP A 84 -1.257 9.150 -12.712 1.00 0.00 O ATOM 0 H ASP A 84 1.651 10.151 -10.460 1.00 0.00 H new ATOM 0 HA ASP A 84 0.441 7.728 -9.768 1.00 0.00 H new ATOM 0 HB2 ASP A 84 1.734 8.531 -12.432 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.423 7.388 -12.217 1.00 0.00 H new ATOM 1389 N ASP A 85 3.650 7.668 -10.245 1.00 0.00 N ATOM 1390 CA ASP A 85 4.893 6.940 -10.490 1.00 0.00 C ATOM 1391 C ASP A 85 5.105 5.958 -9.348 1.00 0.00 C ATOM 1392 O ASP A 85 5.581 6.347 -8.277 1.00 0.00 O ATOM 1393 CB ASP A 85 6.101 7.881 -10.584 1.00 0.00 C ATOM 1394 CG ASP A 85 7.267 7.322 -11.364 1.00 0.00 C ATOM 1395 OD1 ASP A 85 7.874 6.359 -10.856 1.00 0.00 O ATOM 1396 OD2 ASP A 85 7.633 7.930 -12.394 1.00 0.00 O ATOM 0 H ASP A 85 3.800 8.627 -9.931 1.00 0.00 H new ATOM 0 HA ASP A 85 4.808 6.421 -11.445 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.784 8.815 -11.048 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.437 8.124 -9.576 1.00 0.00 H new ATOM 1401 N VAL A 86 4.726 4.697 -9.537 1.00 0.00 N ATOM 1402 CA VAL A 86 4.944 3.662 -8.534 1.00 0.00 C ATOM 1403 C VAL A 86 6.410 3.698 -8.088 1.00 0.00 C ATOM 1404 O VAL A 86 6.672 3.616 -6.887 1.00 0.00 O ATOM 1405 CB VAL A 86 4.558 2.279 -9.105 1.00 0.00 C ATOM 1406 CG1 VAL A 86 5.093 1.106 -8.259 1.00 0.00 C ATOM 1407 CG2 VAL A 86 3.037 2.144 -9.244 1.00 0.00 C ATOM 0 H VAL A 86 4.263 4.367 -10.384 1.00 0.00 H new ATOM 0 HA VAL A 86 4.312 3.845 -7.665 1.00 0.00 H new ATOM 0 HB VAL A 86 5.027 2.224 -10.087 1.00 0.00 H new ATOM 0 HG11 VAL A 86 4.789 0.162 -8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 86 6.181 1.154 -8.217 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.688 1.171 -7.249 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.794 1.161 -9.648 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.571 2.259 -8.266 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.663 2.915 -9.917 1.00 0.00 H new ATOM 1417 N ASP A 87 7.343 3.850 -9.031 1.00 0.00 N ATOM 1418 CA ASP A 87 8.768 3.731 -8.773 1.00 0.00 C ATOM 1419 C ASP A 87 9.212 4.874 -7.867 1.00 0.00 C ATOM 1420 O ASP A 87 9.903 4.626 -6.875 1.00 0.00 O ATOM 1421 CB ASP A 87 9.586 3.661 -10.078 1.00 0.00 C ATOM 1422 CG ASP A 87 9.265 2.466 -10.979 1.00 0.00 C ATOM 1423 OD1 ASP A 87 8.874 1.398 -10.456 1.00 0.00 O ATOM 1424 OD2 ASP A 87 9.380 2.587 -12.223 1.00 0.00 O ATOM 0 H ASP A 87 7.121 4.061 -10.004 1.00 0.00 H new ATOM 0 HA ASP A 87 8.958 2.789 -8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 87 9.420 4.578 -10.643 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.646 3.631 -9.824 1.00 0.00 H new ATOM 1429 N LYS A 88 8.775 6.116 -8.127 1.00 0.00 N ATOM 1430 CA LYS A 88 9.059 7.244 -7.227 1.00 0.00 C ATOM 1431 C LYS A 88 8.528 6.978 -5.818 1.00 0.00 C ATOM 1432 O LYS A 88 9.176 7.265 -4.816 1.00 0.00 O ATOM 1433 CB LYS A 88 8.446 8.524 -7.821 1.00 0.00 C ATOM 1434 CG LYS A 88 8.712 9.839 -7.072 1.00 0.00 C ATOM 1435 CD LYS A 88 10.085 9.965 -6.406 1.00 0.00 C ATOM 1436 CE LYS A 88 10.451 11.423 -6.115 1.00 0.00 C ATOM 1437 NZ LYS A 88 11.220 12.006 -7.230 1.00 0.00 N ATOM 0 H LYS A 88 8.226 6.364 -8.950 1.00 0.00 H new ATOM 0 HA LYS A 88 10.138 7.369 -7.139 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.815 8.635 -8.841 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.367 8.384 -7.886 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.593 10.664 -7.774 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.946 9.959 -6.306 1.00 0.00 H new ATOM 0 HD2 LYS A 88 10.090 9.398 -5.475 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.843 9.523 -7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.543 12.004 -5.951 1.00 0.00 H new ATOM 0 HE3 LYS A 88 11.035 11.479 -5.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.456 12.994 -7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.096 11.463 -7.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.651 11.972 -8.100 1.00 0.00 H new ATOM 1451 N ASN A 89 7.325 6.433 -5.722 1.00 0.00 N ATOM 1452 CA ASN A 89 6.647 6.285 -4.440 1.00 0.00 C ATOM 1453 C ASN A 89 7.282 5.205 -3.583 1.00 0.00 C ATOM 1454 O ASN A 89 7.203 5.270 -2.358 1.00 0.00 O ATOM 1455 CB ASN A 89 5.182 5.985 -4.724 1.00 0.00 C ATOM 1456 CG ASN A 89 4.480 7.309 -4.964 1.00 0.00 C ATOM 1457 OD1 ASN A 89 4.007 7.965 -4.049 1.00 0.00 O ATOM 1458 ND2 ASN A 89 4.488 7.768 -6.192 1.00 0.00 N ATOM 0 H ASN A 89 6.795 6.084 -6.520 1.00 0.00 H new ATOM 0 HA ASN A 89 6.737 7.208 -3.867 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.086 5.337 -5.595 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.729 5.458 -3.884 1.00 0.00 H new ATOM 0 HD21 ASN A 89 4.095 8.687 -6.396 1.00 0.00 H new ATOM 0 HD22 ASN A 89 4.887 7.206 -6.944 1.00 0.00 H new ATOM 1465 N ILE A 90 7.914 4.211 -4.204 1.00 0.00 N ATOM 1466 CA ILE A 90 8.556 3.133 -3.476 1.00 0.00 C ATOM 1467 C ILE A 90 9.738 3.708 -2.689 1.00 0.00 C ATOM 1468 O ILE A 90 9.807 3.484 -1.478 1.00 0.00 O ATOM 1469 CB ILE A 90 8.954 1.997 -4.439 1.00 0.00 C ATOM 1470 CG1 ILE A 90 7.755 1.207 -5.008 1.00 0.00 C ATOM 1471 CG2 ILE A 90 9.894 0.990 -3.754 1.00 0.00 C ATOM 1472 CD1 ILE A 90 8.154 0.477 -6.289 1.00 0.00 C ATOM 0 H ILE A 90 7.992 4.135 -5.218 1.00 0.00 H new ATOM 0 HA ILE A 90 7.868 2.686 -2.758 1.00 0.00 H new ATOM 0 HB ILE A 90 9.453 2.503 -5.266 1.00 0.00 H new ATOM 0 HG12 ILE A 90 7.401 0.489 -4.268 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.928 1.887 -5.213 1.00 0.00 H new ATOM 0 HG21 ILE A 90 10.157 0.201 -4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.799 1.502 -3.427 1.00 0.00 H new ATOM 0 HG23 ILE A 90 9.392 0.553 -2.890 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.297 -0.074 -6.676 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.485 1.202 -7.033 1.00 0.00 H new ATOM 0 HD13 ILE A 90 8.965 -0.218 -6.074 1.00 0.00 H new ATOM 1484 N SER A 91 10.649 4.419 -3.358 1.00 0.00 N ATOM 1485 CA SER A 91 11.864 4.957 -2.750 1.00 0.00 C ATOM 1486 C SER A 91 11.534 5.946 -1.624 1.00 0.00 C ATOM 1487 O SER A 91 12.175 5.921 -0.568 1.00 0.00 O ATOM 1488 CB SER A 91 12.744 5.573 -3.849 1.00 0.00 C ATOM 1489 OG SER A 91 11.974 6.391 -4.702 1.00 0.00 O ATOM 0 H SER A 91 10.560 4.639 -4.350 1.00 0.00 H new ATOM 0 HA SER A 91 12.427 4.152 -2.278 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.542 6.161 -3.396 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.220 4.781 -4.428 1.00 0.00 H new ATOM 0 HG SER A 91 12.551 6.776 -5.394 1.00 0.00 H new ATOM 1495 N LEU A 92 10.501 6.774 -1.810 1.00 0.00 N ATOM 1496 CA LEU A 92 10.021 7.694 -0.784 1.00 0.00 C ATOM 1497 C LEU A 92 9.431 6.929 0.401 1.00 0.00 C ATOM 1498 O LEU A 92 9.719 7.269 1.548 1.00 0.00 O ATOM 1499 CB LEU A 92 8.973 8.642 -1.377 1.00 0.00 C ATOM 1500 CG LEU A 92 9.511 9.630 -2.428 1.00 0.00 C ATOM 1501 CD1 LEU A 92 8.312 10.334 -3.059 1.00 0.00 C ATOM 1502 CD2 LEU A 92 10.483 10.675 -1.868 1.00 0.00 C ATOM 0 H LEU A 92 9.974 6.822 -2.682 1.00 0.00 H new ATOM 0 HA LEU A 92 10.867 8.279 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.182 8.046 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.518 9.210 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 92 10.085 9.056 -3.155 1.00 0.00 H new ATOM 0 HD11 LEU A 92 8.660 11.043 -3.810 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.663 9.596 -3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.756 10.867 -2.288 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.815 11.331 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.981 11.265 -1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.346 10.172 -1.431 1.00 0.00 H new ATOM 1514 N PHE A 93 8.612 5.897 0.164 1.00 0.00 N ATOM 1515 CA PHE A 93 8.014 5.102 1.232 1.00 0.00 C ATOM 1516 C PHE A 93 9.079 4.432 2.098 1.00 0.00 C ATOM 1517 O PHE A 93 8.915 4.355 3.315 1.00 0.00 O ATOM 1518 CB PHE A 93 7.076 4.048 0.632 1.00 0.00 C ATOM 1519 CG PHE A 93 6.640 2.976 1.613 1.00 0.00 C ATOM 1520 CD1 PHE A 93 5.830 3.299 2.717 1.00 0.00 C ATOM 1521 CD2 PHE A 93 7.118 1.661 1.464 1.00 0.00 C ATOM 1522 CE1 PHE A 93 5.465 2.297 3.634 1.00 0.00 C ATOM 1523 CE2 PHE A 93 6.708 0.651 2.344 1.00 0.00 C ATOM 1524 CZ PHE A 93 5.868 0.965 3.421 1.00 0.00 C ATOM 0 H PHE A 93 8.348 5.594 -0.774 1.00 0.00 H new ATOM 0 HA PHE A 93 7.443 5.773 1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 93 6.190 4.547 0.239 1.00 0.00 H new ATOM 0 HB3 PHE A 93 7.575 3.572 -0.212 1.00 0.00 H new ATOM 0 HD1 PHE A 93 5.489 4.314 2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 93 7.806 1.428 0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 93 4.875 2.550 4.503 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.038 -0.366 2.193 1.00 0.00 H new ATOM 0 HZ PHE A 93 5.530 0.185 4.087 1.00 0.00 H new ATOM 1534 N ILE A 94 10.158 3.944 1.487 1.00 0.00 N ATOM 1535 CA ILE A 94 11.239 3.277 2.205 1.00 0.00 C ATOM 1536 C ILE A 94 11.872 4.258 3.201 1.00 0.00 C ATOM 1537 O ILE A 94 12.119 3.863 4.342 1.00 0.00 O ATOM 1538 CB ILE A 94 12.229 2.676 1.185 1.00 0.00 C ATOM 1539 CG1 ILE A 94 11.566 1.443 0.527 1.00 0.00 C ATOM 1540 CG2 ILE A 94 13.561 2.247 1.823 1.00 0.00 C ATOM 1541 CD1 ILE A 94 12.173 1.079 -0.826 1.00 0.00 C ATOM 0 H ILE A 94 10.306 4.001 0.479 1.00 0.00 H new ATOM 0 HA ILE A 94 10.869 2.442 2.800 1.00 0.00 H new ATOM 0 HB ILE A 94 12.459 3.450 0.452 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.656 0.589 1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.501 1.637 0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 94 14.215 1.832 1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 94 14.041 3.112 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 94 13.372 1.492 2.586 1.00 0.00 H new ATOM 0 HD11 ILE A 94 11.662 0.206 -1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 94 12.059 1.917 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 94 13.232 0.853 -0.701 1.00 0.00 H new ATOM 1553 N GLU A 95 12.105 5.518 2.809 1.00 0.00 N ATOM 1554 CA GLU A 95 12.618 6.544 3.717 1.00 0.00 C ATOM 1555 C GLU A 95 11.533 7.113 4.637 1.00 0.00 C ATOM 1556 O GLU A 95 11.865 7.759 5.636 1.00 0.00 O ATOM 1557 CB GLU A 95 13.329 7.665 2.936 1.00 0.00 C ATOM 1558 CG GLU A 95 14.674 7.179 2.395 1.00 0.00 C ATOM 1559 CD GLU A 95 15.566 8.303 1.856 1.00 0.00 C ATOM 1560 OE1 GLU A 95 15.288 8.834 0.756 1.00 0.00 O ATOM 1561 OE2 GLU A 95 16.538 8.699 2.549 1.00 0.00 O ATOM 0 H GLU A 95 11.943 5.850 1.858 1.00 0.00 H new ATOM 0 HA GLU A 95 13.349 6.057 4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 95 12.698 7.997 2.111 1.00 0.00 H new ATOM 0 HB3 GLU A 95 13.483 8.526 3.586 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.206 6.654 3.188 1.00 0.00 H new ATOM 0 HG3 GLU A 95 14.495 6.456 1.599 1.00 0.00 H new ATOM 1568 N GLY A 96 10.257 6.835 4.363 1.00 0.00 N ATOM 1569 CA GLY A 96 9.122 7.304 5.140 1.00 0.00 C ATOM 1570 C GLY A 96 8.675 8.697 4.711 1.00 0.00 C ATOM 1571 O GLY A 96 7.804 9.257 5.365 1.00 0.00 O ATOM 0 H GLY A 96 9.983 6.258 3.568 1.00 0.00 H new ATOM 0 HA2 GLY A 96 8.292 6.606 5.028 1.00 0.00 H new ATOM 0 HA3 GLY A 96 9.387 7.317 6.197 1.00 0.00 H new ATOM 1575 N GLU A 97 9.244 9.241 3.635 1.00 0.00 N ATOM 1576 CA GLU A 97 9.068 10.614 3.173 1.00 0.00 C ATOM 1577 C GLU A 97 7.620 10.911 2.744 1.00 0.00 C ATOM 1578 O GLU A 97 7.132 12.017 2.981 1.00 0.00 O ATOM 1579 CB GLU A 97 10.084 10.863 2.031 1.00 0.00 C ATOM 1580 CG GLU A 97 10.996 12.086 2.250 1.00 0.00 C ATOM 1581 CD GLU A 97 10.658 13.248 1.313 1.00 0.00 C ATOM 1582 OE1 GLU A 97 9.500 13.728 1.325 1.00 0.00 O ATOM 1583 OE2 GLU A 97 11.555 13.662 0.541 1.00 0.00 O ATOM 0 H GLU A 97 9.871 8.707 3.033 1.00 0.00 H new ATOM 0 HA GLU A 97 9.261 11.304 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 97 10.707 9.976 1.915 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.538 10.994 1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 97 10.907 12.420 3.284 1.00 0.00 H new ATOM 0 HG3 GLU A 97 12.035 11.792 2.098 1.00 0.00 H new ATOM 1590 N LEU A 98 6.906 9.929 2.168 1.00 0.00 N ATOM 1591 CA LEU A 98 5.502 10.106 1.759 1.00 0.00 C ATOM 1592 C LEU A 98 4.681 10.568 2.968 1.00 0.00 C ATOM 1593 O LEU A 98 4.836 10.060 4.081 1.00 0.00 O ATOM 1594 CB LEU A 98 4.892 8.796 1.223 1.00 0.00 C ATOM 1595 CG LEU A 98 5.385 8.271 -0.137 1.00 0.00 C ATOM 1596 CD1 LEU A 98 4.588 7.014 -0.509 1.00 0.00 C ATOM 1597 CD2 LEU A 98 5.247 9.294 -1.268 1.00 0.00 C ATOM 0 H LEU A 98 7.280 9.000 1.974 1.00 0.00 H new ATOM 0 HA LEU A 98 5.478 10.848 0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.069 8.018 1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 98 3.813 8.933 1.156 1.00 0.00 H new ATOM 0 HG LEU A 98 6.447 8.054 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 98 4.932 6.637 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.736 6.250 0.254 1.00 0.00 H new ATOM 0 HD13 LEU A 98 3.528 7.261 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.613 8.859 -2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 98 4.199 9.570 -1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.831 10.182 -1.028 1.00 0.00 H new ATOM 1609 N SER A 99 3.748 11.490 2.750 1.00 0.00 N ATOM 1610 CA SER A 99 2.795 11.907 3.764 1.00 0.00 C ATOM 1611 C SER A 99 1.949 10.706 4.172 1.00 0.00 C ATOM 1612 O SER A 99 1.371 10.049 3.309 1.00 0.00 O ATOM 1613 CB SER A 99 1.878 12.956 3.139 1.00 0.00 C ATOM 1614 OG SER A 99 2.382 14.274 3.225 1.00 0.00 O ATOM 0 H SER A 99 3.634 11.970 1.857 1.00 0.00 H new ATOM 0 HA SER A 99 3.313 12.309 4.635 1.00 0.00 H new ATOM 0 HB2 SER A 99 1.716 12.706 2.091 1.00 0.00 H new ATOM 0 HB3 SER A 99 0.906 12.915 3.630 1.00 0.00 H new ATOM 0 HG SER A 99 1.749 14.894 2.806 1.00 0.00 H new ATOM 1620 N LYS A 100 1.802 10.427 5.466 1.00 0.00 N ATOM 1621 CA LYS A 100 0.770 9.495 5.911 1.00 0.00 C ATOM 1622 C LYS A 100 -0.590 10.145 5.709 1.00 0.00 C ATOM 1623 O LYS A 100 -0.775 11.293 6.114 1.00 0.00 O ATOM 1624 CB LYS A 100 0.999 9.053 7.354 1.00 0.00 C ATOM 1625 CG LYS A 100 2.210 8.108 7.384 1.00 0.00 C ATOM 1626 CD LYS A 100 2.520 7.510 8.758 1.00 0.00 C ATOM 1627 CE LYS A 100 1.348 6.709 9.331 1.00 0.00 C ATOM 1628 NZ LYS A 100 0.538 7.520 10.265 1.00 0.00 N ATOM 0 H LYS A 100 2.373 10.825 6.212 1.00 0.00 H new ATOM 0 HA LYS A 100 0.814 8.584 5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.177 9.918 7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 100 0.114 8.548 7.741 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.037 7.295 6.679 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.087 8.652 7.033 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.393 6.863 8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.779 8.312 9.449 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.717 6.353 8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.727 5.828 9.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.442 7.173 10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.933 7.444 11.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.552 8.515 9.963 1.00 0.00 H new ATOM 1642 N ILE A 101 -1.534 9.426 5.102 1.00 0.00 N ATOM 1643 CA ILE A 101 -2.909 9.882 4.944 1.00 0.00 C ATOM 1644 C ILE A 101 -3.452 10.093 6.352 1.00 0.00 C ATOM 1645 O ILE A 101 -3.601 9.123 7.097 1.00 0.00 O ATOM 1646 CB ILE A 101 -3.747 8.872 4.120 1.00 0.00 C ATOM 1647 CG1 ILE A 101 -3.204 8.807 2.677 1.00 0.00 C ATOM 1648 CG2 ILE A 101 -5.231 9.257 4.100 1.00 0.00 C ATOM 1649 CD1 ILE A 101 -4.100 8.146 1.619 1.00 0.00 C ATOM 0 H ILE A 101 -1.361 8.503 4.704 1.00 0.00 H new ATOM 0 HA ILE A 101 -2.961 10.813 4.380 1.00 0.00 H new ATOM 0 HB ILE A 101 -3.662 7.894 4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.990 9.825 2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -2.254 8.272 2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -5.788 8.527 3.513 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -5.616 9.274 5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -5.345 10.245 3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -3.598 8.168 0.652 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -4.296 7.112 1.903 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -5.043 8.688 1.551 1.00 0.00 H new