USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot -80:sc= 2.06 USER MOD Set 1.2: A 57 SER OG : rot -35:sc= 1.02 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.492 K(o=0.49,f=-4.4!) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= -0.0178 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 6 LYS NZ :NH3+ -108:sc= 0.307 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 175:sc= 0 (180deg=-0.0294) USER MOD Single : A 1 MET N :NH3+ 167:sc= 2.49 (180deg=2.38) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 11 LYS NZ :NH3+ 179:sc= 1.18 (180deg=1.12) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= 1.44 (180deg=1.15) USER MOD Single : A 29 LYS NZ :NH3+ 176:sc= 0.175 (180deg=0.166) USER MOD Single : A 31 GLN : amide:sc= -0.0796 X(o=-0.08,f=-0.52) USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0365 (180deg=-0.426) USER MOD Single : A 40 GLN : amide:sc= -0.0629 K(o=-0.063,f=-0.75) USER MOD Single : A 41 GLN : amide:sc= 0.456 K(o=0.46,f=-0.82) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.794 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 97:sc= 0.662 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.391 -7.294 -4.850 1.00 9.67 N ATOM 2 CA MET A 1 11.392 -7.682 -3.462 1.00 10.38 C ATOM 3 C MET A 1 10.023 -7.729 -2.863 1.00 9.62 C ATOM 4 O MET A 1 9.057 -7.146 -3.355 1.00 9.62 O ATOM 5 CB MET A 1 12.370 -6.805 -2.713 1.00 13.77 C ATOM 6 CG MET A 1 12.074 -5.270 -2.541 1.00 16.29 C ATOM 7 SD MET A 1 10.734 -4.876 -1.376 1.00 17.17 S ATOM 8 CE MET A 1 11.305 -3.165 -1.246 1.00 16.11 C ATOM 0 H1 MET A 1 12.361 -7.066 -5.148 1.00 9.67 H new ATOM 0 H2 MET A 1 11.026 -8.077 -5.429 1.00 9.67 H new ATOM 0 H3 MET A 1 10.785 -6.458 -4.976 1.00 9.67 H new ATOM 0 HA MET A 1 11.732 -8.714 -3.377 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.486 -7.227 -1.715 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.335 -6.896 -3.212 1.00 13.77 H new ATOM 0 HG2 MET A 1 12.985 -4.774 -2.206 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.823 -4.851 -3.516 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.607 -2.594 -0.634 1.00 16.11 H new ATOM 0 HE2 MET A 1 12.292 -3.145 -0.785 1.00 16.11 H new ATOM 0 HE3 MET A 1 11.360 -2.723 -2.241 1.00 16.11 H new ATOM 20 N GLN A 2 9.822 -8.534 -1.805 1.00 9.27 N ATOM 21 CA GLN A 2 8.519 -8.708 -1.243 1.00 9.07 C ATOM 22 C GLN A 2 8.159 -7.608 -0.253 1.00 8.72 C ATOM 23 O GLN A 2 8.974 -7.169 0.543 1.00 8.22 O ATOM 24 CB GLN A 2 8.527 -10.049 -0.393 1.00 14.46 C ATOM 25 CG GLN A 2 8.736 -11.391 -1.090 1.00 17.01 C ATOM 26 CD GLN A 2 8.717 -12.551 -0.119 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.710 -13.255 -0.014 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.873 -12.891 0.512 1.00 19.49 N ATOM 0 H GLN A 2 10.559 -9.063 -1.340 1.00 9.27 H new ATOM 0 HA GLN A 2 7.809 -8.707 -2.070 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.307 -9.950 0.362 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.576 -10.103 0.137 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.957 -11.534 -1.839 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.689 -11.379 -1.619 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.699 -12.300 0.417 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.914 -13.737 1.080 1.00 19.49 H new ATOM 37 N ILE A 3 6.915 -7.106 -0.333 1.00 5.87 N ATOM 38 CA ILE A 3 6.324 -6.292 0.776 1.00 5.07 C ATOM 39 C ILE A 3 5.014 -6.993 1.086 1.00 4.01 C ATOM 40 O ILE A 3 4.289 -7.494 0.191 1.00 4.61 O ATOM 41 CB ILE A 3 6.077 -4.815 0.510 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.094 -4.503 -0.612 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.496 -4.182 0.357 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.693 -3.066 -0.691 1.00 10.83 C ATOM 0 H ILE A 3 6.297 -7.239 -1.134 1.00 5.87 H new ATOM 0 HA ILE A 3 7.047 -6.253 1.591 1.00 5.07 H new ATOM 0 HB ILE A 3 5.539 -4.360 1.342 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.539 -4.797 -1.562 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.200 -5.111 -0.477 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.399 -3.114 0.163 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.063 -4.334 1.276 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.018 -4.656 -0.474 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.993 -2.928 -1.515 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.217 -2.769 0.243 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.577 -2.450 -0.859 1.00 10.83 H new ATOM 56 N PHE A 4 4.664 -7.071 2.384 1.00 4.55 N ATOM 57 CA PHE A 4 3.435 -7.651 2.857 1.00 4.68 C ATOM 58 C PHE A 4 2.434 -6.535 3.121 1.00 5.30 C ATOM 59 O PHE A 4 2.693 -5.629 3.850 1.00 5.58 O ATOM 60 CB PHE A 4 3.568 -8.477 4.188 1.00 4.83 C ATOM 61 CG PHE A 4 4.772 -9.407 4.078 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.711 -10.365 3.053 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.957 -9.287 4.814 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.751 -11.291 2.833 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.023 -10.198 4.652 1.00 10.61 C ATOM 66 CZ PHE A 4 6.956 -11.252 3.754 1.00 8.90 C ATOM 0 H PHE A 4 5.257 -6.718 3.135 1.00 4.55 H new ATOM 0 HA PHE A 4 3.117 -8.341 2.076 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.688 -7.805 5.038 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.661 -9.055 4.364 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.841 -10.393 2.414 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.058 -8.478 5.523 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.691 -12.010 2.029 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.917 -10.070 5.245 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.725 -12.009 3.712 1.00 8.90 H new ATOM 76 N VAL A 5 1.183 -6.703 2.645 1.00 4.44 N ATOM 77 CA VAL A 5 0.120 -5.680 2.843 1.00 3.87 C ATOM 78 C VAL A 5 -0.951 -6.427 3.713 1.00 4.93 C ATOM 79 O VAL A 5 -1.350 -7.600 3.477 1.00 6.84 O ATOM 80 CB VAL A 5 -0.460 -5.204 1.468 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.846 -4.625 1.630 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.431 -4.108 0.863 1.00 9.13 C ATOM 0 H VAL A 5 0.880 -7.527 2.125 1.00 4.44 H new ATOM 0 HA VAL A 5 0.478 -4.771 3.326 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.496 -6.077 0.817 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.222 -4.304 0.659 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.511 -5.383 2.044 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.807 -3.770 2.305 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.015 -3.787 -0.092 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.475 -3.258 1.544 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.436 -4.501 0.708 1.00 9.13 H new ATOM 92 N LYS A 6 -1.315 -5.777 4.792 1.00 6.04 N ATOM 93 CA LYS A 6 -2.165 -6.328 5.853 1.00 6.12 C ATOM 94 C LYS A 6 -3.425 -5.558 6.102 1.00 6.57 C ATOM 95 O LYS A 6 -3.544 -4.367 5.854 1.00 5.76 O ATOM 96 CB LYS A 6 -1.350 -6.513 7.153 1.00 7.45 C ATOM 97 CG LYS A 6 -1.791 -7.739 8.004 1.00 11.12 C ATOM 98 CD LYS A 6 -1.041 -7.914 9.332 1.00 14.54 C ATOM 99 CE LYS A 6 -1.710 -8.881 10.279 1.00 18.84 C ATOM 100 NZ LYS A 6 -1.554 -10.243 9.779 1.00 20.55 N ATOM 0 H LYS A 6 -1.025 -4.816 4.974 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.500 -7.301 5.494 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.296 -6.621 6.897 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.441 -5.611 7.759 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.857 -7.650 8.215 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -1.658 -8.642 7.408 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.029 -8.262 9.125 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.951 -6.943 9.820 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.271 -8.795 11.273 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.768 -8.637 10.376 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.468 -10.588 9.422 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.855 -10.252 9.009 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.228 -10.861 10.550 1.00 20.55 H new ATOM 114 N THR A 7 -4.516 -6.322 6.423 1.00 7.41 N ATOM 115 CA THR A 7 -5.889 -5.889 6.601 1.00 7.48 C ATOM 116 C THR A 7 -6.307 -5.802 8.056 1.00 8.75 C ATOM 117 O THR A 7 -5.633 -6.469 8.824 1.00 8.58 O ATOM 118 CB THR A 7 -7.061 -6.510 5.779 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.259 -7.899 6.095 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.775 -6.349 4.286 1.00 9.17 C ATOM 0 H THR A 7 -4.422 -7.327 6.569 1.00 7.41 H new ATOM 0 HA THR A 7 -5.767 -4.915 6.128 1.00 7.48 H new ATOM 0 HB THR A 7 -7.977 -5.981 6.042 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.002 -8.253 5.563 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.593 -6.782 3.710 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.683 -5.290 4.045 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.845 -6.860 4.037 1.00 9.17 H new ATOM 128 N LEU A 8 -7.277 -5.016 8.480 1.00 9.84 N ATOM 129 CA LEU A 8 -7.767 -4.868 9.858 1.00 14.15 C ATOM 130 C LEU A 8 -8.336 -6.108 10.396 1.00 17.37 C ATOM 131 O LEU A 8 -8.162 -6.384 11.587 1.00 17.01 O ATOM 132 CB LEU A 8 -8.844 -3.725 9.953 1.00 16.63 C ATOM 133 CG LEU A 8 -8.432 -2.292 9.613 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.661 -1.317 9.774 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.406 -1.765 10.624 1.00 18.59 C ATOM 0 H LEU A 8 -7.788 -4.416 7.832 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.896 -4.609 10.459 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.670 -3.995 9.296 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.234 -3.723 10.971 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.039 -2.318 8.596 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.353 -0.300 9.529 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.461 -1.626 9.102 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.019 -1.350 10.803 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.128 -0.744 10.362 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.841 -1.777 11.624 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.519 -2.399 10.606 1.00 18.59 H new ATOM 147 N THR A 9 -9.033 -6.883 9.508 1.00 18.33 N ATOM 148 CA THR A 9 -9.478 -8.225 9.844 1.00 19.24 C ATOM 149 C THR A 9 -8.459 -9.301 9.622 1.00 19.48 C ATOM 150 O THR A 9 -8.762 -10.468 9.479 1.00 23.14 O ATOM 151 CB THR A 9 -10.788 -8.521 9.044 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.537 -8.678 7.664 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.882 -7.448 9.231 1.00 19.70 C ATOM 0 H THR A 9 -9.285 -6.581 8.567 1.00 18.33 H new ATOM 0 HA THR A 9 -9.657 -8.244 10.919 1.00 19.24 H new ATOM 0 HB THR A 9 -11.160 -9.457 9.461 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.379 -8.863 7.197 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.761 -7.719 8.647 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.152 -7.384 10.285 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.506 -6.482 8.893 1.00 19.70 H new ATOM 161 N GLY A 10 -7.188 -8.924 9.488 1.00 19.43 N ATOM 162 CA GLY A 10 -5.977 -9.771 9.710 1.00 18.74 C ATOM 163 C GLY A 10 -5.344 -10.553 8.570 1.00 17.62 C ATOM 164 O GLY A 10 -4.351 -11.230 8.757 1.00 19.74 O ATOM 0 H GLY A 10 -6.943 -7.974 9.208 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.204 -9.120 10.118 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.230 -10.491 10.488 1.00 18.74 H new ATOM 168 N LYS A 11 -5.994 -10.497 7.415 1.00 13.56 N ATOM 169 CA LYS A 11 -5.350 -11.081 6.228 1.00 11.91 C ATOM 170 C LYS A 11 -4.044 -10.400 5.787 1.00 10.18 C ATOM 171 O LYS A 11 -3.772 -9.243 6.048 1.00 9.10 O ATOM 172 CB LYS A 11 -6.355 -11.064 5.044 1.00 13.43 C ATOM 173 CG LYS A 11 -5.905 -11.645 3.701 1.00 16.69 C ATOM 174 CD LYS A 11 -7.115 -11.785 2.771 1.00 17.92 C ATOM 175 CE LYS A 11 -6.783 -12.347 1.332 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.855 -12.188 0.319 1.00 21.93 N ATOM 0 H LYS A 11 -6.913 -10.081 7.268 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.070 -12.094 6.517 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.248 -11.605 5.358 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.653 -10.029 4.875 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.156 -10.997 3.245 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.436 -12.617 3.853 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.844 -12.443 3.243 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.588 -10.809 2.664 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.885 -11.850 0.966 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.546 -13.407 1.421 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.532 -12.572 -0.592 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.705 -12.701 0.629 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.081 -11.179 0.208 1.00 21.93 H new ATOM 190 N THR A 12 -3.136 -11.256 5.242 1.00 9.63 N ATOM 191 CA THR A 12 -1.821 -10.863 4.828 1.00 9.85 C ATOM 192 C THR A 12 -1.721 -11.248 3.404 1.00 11.66 C ATOM 193 O THR A 12 -1.742 -12.437 3.033 1.00 12.33 O ATOM 194 CB THR A 12 -0.738 -11.593 5.595 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.054 -11.605 6.948 1.00 10.91 O ATOM 196 CG2 THR A 12 0.555 -10.851 5.518 1.00 9.63 C ATOM 0 H THR A 12 -3.330 -12.246 5.089 1.00 9.63 H new ATOM 0 HA THR A 12 -1.680 -9.797 5.004 1.00 9.85 H new ATOM 0 HB THR A 12 -0.659 -12.592 5.167 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.354 -12.079 7.443 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.319 -11.393 6.076 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.861 -10.761 4.476 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.430 -9.857 5.946 1.00 9.63 H new ATOM 204 N ILE A 13 -1.560 -10.261 2.526 1.00 10.42 N ATOM 205 CA ILE A 13 -1.319 -10.526 1.115 1.00 11.84 C ATOM 206 C ILE A 13 0.064 -10.042 0.787 1.00 10.55 C ATOM 207 O ILE A 13 0.621 -9.142 1.437 1.00 11.92 O ATOM 208 CB ILE A 13 -2.293 -9.834 0.160 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.216 -8.273 0.154 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.668 -10.228 0.579 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.179 -7.562 -0.796 1.00 16.46 C ATOM 0 H ILE A 13 -1.593 -9.271 2.769 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.452 -11.599 0.973 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.028 -10.150 -0.849 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.404 -7.915 1.166 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.198 -7.979 -0.104 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.398 -9.755 -0.078 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.771 -11.311 0.516 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.842 -9.906 1.606 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.038 -6.484 -0.717 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.981 -7.880 -1.820 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.205 -7.814 -0.530 1.00 16.46 H new ATOM 223 N THR A 14 0.740 -10.756 -0.121 1.00 9.39 N ATOM 224 CA THR A 14 2.181 -10.613 -0.403 1.00 9.63 C ATOM 225 C THR A 14 2.367 -10.011 -1.800 1.00 11.20 C ATOM 226 O THR A 14 2.080 -10.762 -2.769 1.00 11.63 O ATOM 227 CB THR A 14 2.859 -11.950 -0.433 1.00 10.38 C ATOM 228 OG1 THR A 14 2.763 -12.519 0.891 1.00 16.30 O ATOM 229 CG2 THR A 14 4.371 -11.765 -0.719 1.00 11.66 C ATOM 0 H THR A 14 0.292 -11.469 -0.697 1.00 9.39 H new ATOM 0 HA THR A 14 2.607 -9.984 0.379 1.00 9.63 H new ATOM 0 HB THR A 14 2.396 -12.576 -1.196 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.198 -13.397 0.902 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.859 -12.739 -0.740 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.501 -11.273 -1.683 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.817 -11.152 0.064 1.00 11.66 H new ATOM 237 N LEU A 15 2.842 -8.776 -1.975 1.00 8.29 N ATOM 238 CA LEU A 15 3.128 -8.192 -3.254 1.00 9.03 C ATOM 239 C LEU A 15 4.590 -8.434 -3.700 1.00 8.59 C ATOM 240 O LEU A 15 5.413 -8.841 -2.881 1.00 7.79 O ATOM 241 CB LEU A 15 2.894 -6.647 -3.223 1.00 11.08 C ATOM 242 CG LEU A 15 1.441 -6.250 -2.704 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.383 -4.730 -2.911 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.231 -6.964 -3.266 1.00 15.27 C ATOM 0 H LEU A 15 3.039 -8.148 -1.195 1.00 8.29 H new ATOM 0 HA LEU A 15 2.452 -8.674 -3.961 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.643 -6.184 -2.580 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.040 -6.242 -4.225 1.00 11.08 H new ATOM 0 HG LEU A 15 1.348 -6.584 -1.671 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.414 -4.355 -2.582 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.173 -4.253 -2.331 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.521 -4.501 -3.968 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.673 -6.569 -2.802 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.184 -6.807 -4.344 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.309 -8.031 -3.058 1.00 15.27 H new ATOM 256 N GLU A 16 4.875 -8.172 -4.931 1.00 11.04 N ATOM 257 CA GLU A 16 6.204 -8.149 -5.408 1.00 11.50 C ATOM 258 C GLU A 16 6.451 -6.734 -5.926 1.00 10.13 C ATOM 259 O GLU A 16 5.782 -6.255 -6.826 1.00 9.83 O ATOM 260 CB GLU A 16 6.330 -9.314 -6.456 1.00 17.22 C ATOM 261 CG GLU A 16 7.707 -9.398 -7.095 1.00 23.33 C ATOM 262 CD GLU A 16 8.805 -9.838 -6.150 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.691 -10.905 -5.459 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.862 -9.159 -6.076 1.00 28.86 O ATOM 0 H GLU A 16 4.173 -7.965 -5.642 1.00 11.04 H new ATOM 0 HA GLU A 16 6.980 -8.337 -4.666 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.106 -10.261 -5.965 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.582 -9.174 -7.237 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.664 -10.094 -7.933 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.965 -8.421 -7.504 1.00 23.33 H new ATOM 271 N VAL A 17 7.410 -5.981 -5.318 1.00 8.99 N ATOM 272 CA VAL A 17 7.588 -4.587 -5.662 1.00 8.85 C ATOM 273 C VAL A 17 9.032 -4.231 -5.831 1.00 8.04 C ATOM 274 O VAL A 17 9.960 -4.984 -5.448 1.00 8.99 O ATOM 275 CB VAL A 17 7.110 -3.704 -4.584 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.588 -3.732 -4.489 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.838 -3.895 -3.219 1.00 10.54 C ATOM 0 H VAL A 17 8.049 -6.330 -4.603 1.00 8.99 H new ATOM 0 HA VAL A 17 7.029 -4.451 -6.588 1.00 8.85 H new ATOM 0 HB VAL A 17 7.393 -2.690 -4.867 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.261 -3.072 -3.686 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.158 -3.395 -5.433 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.255 -4.749 -4.281 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.422 -3.205 -2.485 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.700 -4.919 -2.873 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.902 -3.695 -3.343 1.00 10.54 H new ATOM 287 N GLU A 18 9.328 -3.073 -6.396 1.00 7.29 N ATOM 288 CA GLU A 18 10.713 -2.560 -6.601 1.00 7.08 C ATOM 289 C GLU A 18 10.882 -1.325 -5.820 1.00 6.45 C ATOM 290 O GLU A 18 9.908 -0.630 -5.688 1.00 5.28 O ATOM 291 CB GLU A 18 10.770 -2.154 -8.100 1.00 10.28 C ATOM 292 CG GLU A 18 12.220 -2.052 -8.615 1.00 12.65 C ATOM 293 CD GLU A 18 12.206 -1.467 -10.045 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.661 -2.096 -10.930 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.823 -0.399 -10.207 1.00 14.33 O ATOM 0 H GLU A 18 8.612 -2.434 -6.740 1.00 7.29 H new ATOM 0 HA GLU A 18 11.466 -3.294 -6.314 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.224 -2.886 -8.695 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.269 -1.196 -8.236 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.810 -1.417 -7.954 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.690 -3.036 -8.615 1.00 12.65 H new ATOM 302 N PRO A 19 11.986 -0.916 -5.201 1.00 7.24 N ATOM 303 CA PRO A 19 12.105 0.217 -4.242 1.00 7.07 C ATOM 304 C PRO A 19 11.910 1.618 -4.900 1.00 6.65 C ATOM 305 O PRO A 19 11.492 2.588 -4.307 1.00 6.37 O ATOM 306 CB PRO A 19 13.506 0.010 -3.663 1.00 7.61 C ATOM 307 CG PRO A 19 14.207 -0.996 -4.594 1.00 8.16 C ATOM 308 CD PRO A 19 13.107 -1.844 -5.083 1.00 7.49 C ATOM 0 HA PRO A 19 11.321 0.215 -3.484 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.054 0.951 -3.623 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.454 -0.373 -2.644 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.720 -0.493 -5.414 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.956 -1.581 -4.060 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.350 -2.303 -6.041 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.886 -2.654 -4.388 1.00 7.49 H new ATOM 316 N SER A 20 12.064 1.643 -6.241 1.00 6.80 N ATOM 317 CA SER A 20 11.754 2.744 -7.154 1.00 6.28 C ATOM 318 C SER A 20 10.264 2.760 -7.625 1.00 8.45 C ATOM 319 O SER A 20 9.797 3.753 -8.155 1.00 7.26 O ATOM 320 CB SER A 20 12.463 2.883 -8.567 1.00 8.57 C ATOM 321 OG SER A 20 13.871 2.988 -8.390 1.00 11.13 O ATOM 0 H SER A 20 12.434 0.834 -6.741 1.00 6.80 H new ATOM 0 HA SER A 20 12.105 3.523 -6.478 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.229 2.019 -9.189 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.086 3.763 -9.089 1.00 8.57 H new ATOM 0 HG SER A 20 14.305 3.072 -9.265 1.00 11.13 H new ATOM 327 N ASP A 21 9.498 1.649 -7.430 1.00 7.50 N ATOM 328 CA ASP A 21 8.028 1.743 -7.628 1.00 7.70 C ATOM 329 C ASP A 21 7.346 2.731 -6.656 1.00 7.08 C ATOM 330 O ASP A 21 7.742 2.874 -5.481 1.00 8.11 O ATOM 331 CB ASP A 21 7.397 0.332 -7.412 1.00 11.00 C ATOM 332 CG ASP A 21 7.739 -0.668 -8.506 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.252 -0.144 -9.513 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.541 -1.868 -8.317 1.00 14.36 O ATOM 0 H ASP A 21 9.849 0.732 -7.153 1.00 7.50 H new ATOM 0 HA ASP A 21 7.867 2.112 -8.641 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.733 -0.063 -6.453 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.313 0.434 -7.352 1.00 11.00 H new ATOM 339 N THR A 22 6.276 3.406 -7.135 1.00 5.37 N ATOM 340 CA THR A 22 5.589 4.351 -6.271 1.00 6.01 C ATOM 341 C THR A 22 4.424 3.757 -5.529 1.00 8.01 C ATOM 342 O THR A 22 4.051 2.596 -5.763 1.00 8.11 O ATOM 343 CB THR A 22 5.080 5.572 -6.936 1.00 8.92 C ATOM 344 OG1 THR A 22 4.176 5.247 -7.944 1.00 10.22 O ATOM 345 CG2 THR A 22 6.306 6.252 -7.698 1.00 9.65 C ATOM 0 H THR A 22 5.894 3.311 -8.076 1.00 5.37 H new ATOM 0 HA THR A 22 6.392 4.625 -5.587 1.00 6.01 H new ATOM 0 HB THR A 22 4.615 6.206 -6.181 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.851 6.068 -8.369 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.965 7.157 -8.201 1.00 9.65 H new ATOM 0 HG22 THR A 22 7.085 6.507 -6.979 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.707 5.557 -8.436 1.00 9.65 H new ATOM 353 N ILE A 23 3.902 4.498 -4.515 1.00 8.32 N ATOM 354 CA ILE A 23 2.687 4.136 -3.720 1.00 9.92 C ATOM 355 C ILE A 23 1.443 3.829 -4.565 1.00 10.01 C ATOM 356 O ILE A 23 0.630 2.998 -4.164 1.00 8.71 O ATOM 357 CB ILE A 23 2.440 5.167 -2.648 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.598 5.272 -1.658 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.056 5.026 -1.991 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.688 4.087 -0.672 1.00 12.30 C ATOM 0 H ILE A 23 4.318 5.381 -4.218 1.00 8.32 H new ATOM 0 HA ILE A 23 2.900 3.184 -3.234 1.00 9.92 H new ATOM 0 HB ILE A 23 2.409 6.135 -3.147 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.533 5.341 -2.214 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.495 6.197 -1.091 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.936 5.795 -1.228 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.280 5.142 -2.748 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.970 4.042 -1.531 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.535 4.235 -0.002 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.769 4.029 -0.088 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.823 3.160 -1.229 1.00 12.30 H new ATOM 372 N GLU A 24 1.333 4.484 -5.732 1.00 9.54 N ATOM 373 CA GLU A 24 0.306 4.168 -6.713 1.00 11.81 C ATOM 374 C GLU A 24 0.382 2.678 -7.206 1.00 11.14 C ATOM 375 O GLU A 24 -0.592 1.968 -7.497 1.00 10.62 O ATOM 376 CB GLU A 24 0.382 5.148 -7.888 1.00 19.24 C ATOM 377 CG GLU A 24 -0.767 5.009 -8.922 1.00 27.76 C ATOM 378 CD GLU A 24 -0.867 6.213 -9.835 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.117 6.878 -10.258 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.049 6.562 -10.206 1.00 36.51 O ATOM 0 H GLU A 24 1.955 5.242 -6.012 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.662 4.278 -6.224 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.379 6.165 -7.496 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.333 5.007 -8.401 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.607 4.113 -9.522 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.712 4.875 -8.396 1.00 27.76 H new ATOM 387 N ASN A 25 1.606 2.170 -7.488 1.00 9.43 N ATOM 388 CA ASN A 25 1.794 0.843 -7.985 1.00 10.96 C ATOM 389 C ASN A 25 1.400 -0.197 -6.943 1.00 9.68 C ATOM 390 O ASN A 25 0.933 -1.324 -7.220 1.00 9.33 O ATOM 391 CB ASN A 25 3.283 0.623 -8.412 1.00 16.78 C ATOM 392 CG ASN A 25 3.800 1.514 -9.498 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.742 2.288 -9.349 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.099 1.421 -10.691 1.00 24.70 N ATOM 0 H ASN A 25 2.473 2.693 -7.367 1.00 9.43 H new ATOM 0 HA ASN A 25 1.149 0.722 -8.856 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.914 0.754 -7.533 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.397 -0.412 -8.735 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.360 2.008 -11.483 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.322 0.766 -10.776 1.00 24.70 H new ATOM 401 N VAL A 26 1.571 0.188 -5.676 1.00 6.52 N ATOM 402 CA VAL A 26 1.150 -0.669 -4.627 1.00 5.53 C ATOM 403 C VAL A 26 -0.385 -0.814 -4.617 1.00 4.42 C ATOM 404 O VAL A 26 -0.972 -1.909 -4.447 1.00 3.40 O ATOM 405 CB VAL A 26 1.592 -0.157 -3.351 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.291 -1.188 -2.210 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.096 0.182 -3.368 1.00 8.12 C ATOM 0 H VAL A 26 1.990 1.070 -5.382 1.00 6.52 H new ATOM 0 HA VAL A 26 1.595 -1.649 -4.798 1.00 5.53 H new ATOM 0 HB VAL A 26 1.039 0.762 -3.158 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.631 -0.785 -1.256 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.218 -1.376 -2.163 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.814 -2.122 -2.416 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.394 0.565 -2.392 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.669 -0.717 -3.596 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.290 0.938 -4.129 1.00 8.12 H new ATOM 417 N LYS A 27 -1.139 0.279 -4.773 1.00 2.64 N ATOM 418 CA LYS A 27 -2.597 0.289 -4.801 1.00 4.14 C ATOM 419 C LYS A 27 -3.118 -0.514 -6.016 1.00 5.58 C ATOM 420 O LYS A 27 -4.080 -1.272 -5.892 1.00 4.11 O ATOM 421 CB LYS A 27 -3.240 1.669 -4.813 1.00 3.97 C ATOM 422 CG LYS A 27 -2.778 2.355 -3.491 1.00 7.45 C ATOM 423 CD LYS A 27 -3.293 3.742 -3.324 1.00 9.02 C ATOM 424 CE LYS A 27 -3.073 4.287 -1.909 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.516 5.722 -1.809 1.00 15.47 N ATOM 0 H LYS A 27 -0.734 1.208 -4.886 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.890 -0.174 -3.859 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.923 2.242 -5.684 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.327 1.595 -4.858 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.106 1.751 -2.645 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.689 2.376 -3.465 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.800 4.397 -4.042 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.358 3.760 -3.555 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.627 3.681 -1.192 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.018 4.209 -1.645 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.888 6.235 -1.158 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.475 6.164 -2.749 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.492 5.760 -1.451 1.00 15.47 H new ATOM 439 N ALA A 28 -2.442 -0.415 -7.181 1.00 6.61 N ATOM 440 CA ALA A 28 -2.662 -1.148 -8.411 1.00 7.74 C ATOM 441 C ALA A 28 -2.556 -2.651 -8.234 1.00 9.17 C ATOM 442 O ALA A 28 -3.465 -3.381 -8.721 1.00 11.45 O ATOM 443 CB ALA A 28 -1.650 -0.717 -9.390 1.00 7.68 C ATOM 0 H ALA A 28 -1.666 0.240 -7.275 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.677 -0.934 -8.747 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.796 -1.257 -10.326 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.750 0.354 -9.569 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.654 -0.929 -9.001 1.00 7.68 H new ATOM 449 N LYS A 29 -1.493 -3.124 -7.550 1.00 8.96 N ATOM 450 CA LYS A 29 -1.246 -4.544 -7.275 1.00 7.90 C ATOM 451 C LYS A 29 -2.299 -5.154 -6.354 1.00 6.92 C ATOM 452 O LYS A 29 -2.794 -6.289 -6.510 1.00 6.87 O ATOM 453 CB LYS A 29 0.132 -4.624 -6.561 1.00 10.28 C ATOM 454 CG LYS A 29 1.295 -4.463 -7.626 1.00 14.94 C ATOM 455 CD LYS A 29 2.661 -4.163 -6.963 1.00 19.69 C ATOM 456 CE LYS A 29 3.670 -3.568 -8.012 1.00 22.63 C ATOM 457 NZ LYS A 29 4.086 -4.576 -8.901 1.00 24.98 N ATOM 0 H LYS A 29 -0.771 -2.512 -7.168 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.276 -5.098 -8.213 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.207 -3.842 -5.805 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.229 -5.578 -6.043 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.373 -5.376 -8.216 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.044 -3.658 -8.316 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.525 -3.459 -6.142 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.071 -5.077 -6.535 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.197 -2.756 -8.565 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.533 -3.144 -7.499 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.699 -4.163 -9.632 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.613 -5.304 -8.378 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.253 -5.007 -9.351 1.00 24.98 H new ATOM 471 N ILE A 30 -2.727 -4.364 -5.367 1.00 4.57 N ATOM 472 CA ILE A 30 -3.748 -4.772 -4.511 1.00 5.58 C ATOM 473 C ILE A 30 -5.104 -4.855 -5.236 1.00 7.26 C ATOM 474 O ILE A 30 -5.885 -5.736 -4.926 1.00 9.46 O ATOM 475 CB ILE A 30 -3.892 -3.726 -3.304 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.581 -3.716 -2.337 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.149 -3.830 -2.480 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.506 -2.572 -1.380 1.00 2.00 C ATOM 0 H ILE A 30 -2.353 -3.435 -5.172 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.484 -5.763 -4.141 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.972 -2.770 -3.822 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.561 -4.646 -1.769 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.688 -3.705 -2.962 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.134 -3.073 -1.696 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -6.017 -3.672 -3.120 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.207 -4.820 -2.028 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.598 -2.656 -0.782 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.489 -1.634 -1.935 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.376 -2.589 -0.723 1.00 2.00 H new ATOM 490 N GLN A 31 -5.384 -3.965 -6.234 1.00 7.06 N ATOM 491 CA GLN A 31 -6.653 -3.946 -7.007 1.00 8.67 C ATOM 492 C GLN A 31 -6.645 -5.241 -7.859 1.00 10.90 C ATOM 493 O GLN A 31 -7.627 -5.946 -7.887 1.00 9.63 O ATOM 494 CB GLN A 31 -6.576 -2.675 -7.903 1.00 9.12 C ATOM 495 CG GLN A 31 -7.785 -2.509 -8.866 1.00 10.76 C ATOM 496 CD GLN A 31 -7.820 -1.238 -9.656 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.893 -0.587 -9.593 1.00 14.48 O ATOM 498 NE2 GLN A 31 -6.736 -0.903 -10.351 1.00 14.76 N ATOM 0 H GLN A 31 -4.728 -3.239 -6.522 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.560 -3.914 -6.403 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.510 -1.795 -7.263 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.659 -2.712 -8.490 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.788 -3.348 -9.562 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.703 -2.577 -8.282 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -5.913 -1.505 -10.334 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -6.728 -0.044 -10.901 1.00 14.76 H new ATOM 507 N ASP A 32 -5.487 -5.581 -8.436 1.00 10.93 N ATOM 508 CA ASP A 32 -5.218 -6.768 -9.264 1.00 14.01 C ATOM 509 C ASP A 32 -5.468 -8.126 -8.570 1.00 14.04 C ATOM 510 O ASP A 32 -6.134 -8.993 -9.119 1.00 13.39 O ATOM 511 CB ASP A 32 -3.755 -6.607 -9.705 1.00 18.01 C ATOM 512 CG ASP A 32 -3.325 -7.652 -10.752 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.089 -7.747 -11.733 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.356 -8.448 -10.572 1.00 25.17 O ATOM 0 H ASP A 32 -4.657 -4.998 -8.332 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.918 -6.805 -10.099 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.613 -5.608 -10.117 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.107 -6.687 -8.832 1.00 18.01 H new ATOM 519 N LYS A 33 -5.052 -8.297 -7.340 1.00 14.22 N ATOM 520 CA LYS A 33 -5.472 -9.384 -6.493 1.00 14.00 C ATOM 521 C LYS A 33 -6.872 -9.263 -5.805 1.00 12.37 C ATOM 522 O LYS A 33 -7.657 -10.160 -5.917 1.00 12.17 O ATOM 523 CB LYS A 33 -4.437 -9.578 -5.347 1.00 18.62 C ATOM 524 CG LYS A 33 -3.022 -9.848 -5.784 1.00 24.00 C ATOM 525 CD LYS A 33 -2.156 -10.377 -4.623 1.00 27.61 C ATOM 526 CE LYS A 33 -0.710 -10.566 -5.063 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.627 -11.440 -6.248 1.00 30.06 N ATOM 0 H LYS A 33 -4.392 -7.664 -6.888 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.545 -10.220 -7.188 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.441 -8.684 -4.724 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.768 -10.405 -4.720 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.025 -10.575 -6.596 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.582 -8.932 -6.178 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.197 -9.679 -3.787 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.559 -11.325 -4.267 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.266 -9.597 -5.290 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.132 -10.999 -4.247 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.355 -11.759 -6.376 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.245 -12.266 -6.114 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.932 -10.912 -7.091 1.00 30.06 H new ATOM 541 N GLU A 34 -7.223 -8.137 -5.173 1.00 10.11 N ATOM 542 CA GLU A 34 -8.329 -8.096 -4.194 1.00 10.07 C ATOM 543 C GLU A 34 -9.576 -7.261 -4.746 1.00 9.32 C ATOM 544 O GLU A 34 -10.594 -7.171 -4.070 1.00 11.61 O ATOM 545 CB GLU A 34 -7.832 -7.350 -2.885 1.00 14.77 C ATOM 546 CG GLU A 34 -6.848 -8.136 -1.946 1.00 18.75 C ATOM 547 CD GLU A 34 -7.351 -9.416 -1.364 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.506 -10.373 -2.120 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.744 -9.496 -0.174 1.00 21.95 O ATOM 0 H GLU A 34 -6.761 -7.239 -5.318 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.630 -9.125 -3.999 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.344 -6.424 -3.188 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.709 -7.072 -2.300 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.941 -8.353 -2.510 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.564 -7.478 -1.125 1.00 18.75 H new ATOM 556 N GLY A 35 -9.448 -6.638 -5.931 1.00 7.22 N ATOM 557 CA GLY A 35 -10.556 -5.823 -6.497 1.00 6.29 C ATOM 558 C GLY A 35 -10.939 -4.555 -5.826 1.00 6.93 C ATOM 559 O GLY A 35 -12.122 -4.157 -5.919 1.00 7.41 O ATOM 0 H GLY A 35 -8.610 -6.676 -6.511 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.293 -5.583 -7.527 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.443 -6.456 -6.534 1.00 6.29 H new ATOM 563 N ILE A 36 -10.040 -3.803 -5.068 1.00 5.86 N ATOM 564 CA ILE A 36 -10.462 -2.566 -4.365 1.00 6.07 C ATOM 565 C ILE A 36 -9.951 -1.454 -5.196 1.00 6.36 C ATOM 566 O ILE A 36 -8.730 -1.352 -5.472 1.00 6.18 O ATOM 567 CB ILE A 36 -9.858 -2.556 -2.933 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.203 -3.863 -2.145 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.355 -1.292 -2.171 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.455 -3.965 -0.754 1.00 9.49 C ATOM 0 H ILE A 36 -9.056 -4.043 -4.946 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.542 -2.486 -4.244 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.772 -2.521 -3.017 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.279 -3.905 -1.976 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.942 -4.728 -2.755 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.932 -1.283 -1.166 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.038 -0.397 -2.706 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.443 -1.310 -2.107 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.736 -4.893 -0.257 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.378 -3.954 -0.919 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.735 -3.118 -0.127 1.00 9.49 H new ATOM 582 N PRO A 37 -10.773 -0.582 -5.729 1.00 8.65 N ATOM 583 CA PRO A 37 -10.272 0.543 -6.467 1.00 9.18 C ATOM 584 C PRO A 37 -9.246 1.480 -5.781 1.00 9.85 C ATOM 585 O PRO A 37 -9.605 1.748 -4.640 1.00 8.51 O ATOM 586 CB PRO A 37 -11.486 1.371 -6.885 1.00 11.42 C ATOM 587 CG PRO A 37 -12.582 0.323 -6.919 1.00 9.27 C ATOM 588 CD PRO A 37 -12.243 -0.669 -5.752 1.00 8.33 C ATOM 0 HA PRO A 37 -9.696 0.109 -7.284 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.703 2.166 -6.172 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.343 1.844 -7.856 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.563 0.776 -6.778 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.604 -0.192 -7.879 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.689 -0.361 -4.806 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.593 -1.681 -5.956 1.00 8.33 H new ATOM 596 N PRO A 38 -8.096 1.889 -6.287 1.00 8.71 N ATOM 597 CA PRO A 38 -7.171 2.826 -5.620 1.00 9.08 C ATOM 598 C PRO A 38 -7.713 3.970 -4.790 1.00 9.28 C ATOM 599 O PRO A 38 -7.050 4.381 -3.824 1.00 6.50 O ATOM 600 CB PRO A 38 -6.244 3.316 -6.753 1.00 10.31 C ATOM 601 CG PRO A 38 -6.109 2.027 -7.595 1.00 10.81 C ATOM 602 CD PRO A 38 -7.481 1.380 -7.446 1.00 12.00 C ATOM 0 HA PRO A 38 -6.686 2.273 -4.816 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.683 4.136 -7.321 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.283 3.667 -6.378 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.877 2.247 -8.637 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.315 1.381 -7.221 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.095 1.589 -8.322 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.383 0.297 -7.377 1.00 12.00 H new ATOM 610 N ASP A 39 -8.851 4.640 -5.183 1.00 11.20 N ATOM 611 CA ASP A 39 -9.346 5.788 -4.405 1.00 14.96 C ATOM 612 C ASP A 39 -10.085 5.272 -3.164 1.00 13.99 C ATOM 613 O ASP A 39 -10.375 5.991 -2.180 1.00 13.75 O ATOM 614 CB ASP A 39 -10.260 6.670 -5.357 1.00 24.16 C ATOM 615 CG ASP A 39 -9.405 7.318 -6.433 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.423 8.003 -6.047 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.673 7.089 -7.660 1.00 34.22 O ATOM 0 H ASP A 39 -9.409 4.402 -6.003 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.533 6.419 -4.046 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.030 6.049 -5.816 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.773 7.437 -4.776 1.00 24.16 H new ATOM 622 N GLN A 40 -10.248 3.948 -3.034 1.00 11.60 N ATOM 623 CA GLN A 40 -10.909 3.319 -1.829 1.00 10.76 C ATOM 624 C GLN A 40 -9.816 2.691 -0.998 1.00 8.01 C ATOM 625 O GLN A 40 -10.103 1.862 -0.177 1.00 8.96 O ATOM 626 CB GLN A 40 -11.877 2.115 -2.199 1.00 11.14 C ATOM 627 CG GLN A 40 -13.011 2.750 -2.893 1.00 14.85 C ATOM 628 CD GLN A 40 -14.110 1.706 -3.099 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.481 1.282 -4.207 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.736 1.257 -1.982 1.00 18.16 N ATOM 0 H GLN A 40 -9.940 3.274 -3.734 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.480 4.103 -1.332 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.378 1.387 -2.839 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.206 1.582 -1.307 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.391 3.587 -2.308 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.688 3.153 -3.853 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.445 1.594 -1.064 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.497 0.583 -2.060 1.00 18.16 H new ATOM 639 N GLN A 41 -8.576 3.174 -1.171 1.00 6.52 N ATOM 640 CA GLN A 41 -7.456 2.695 -0.320 1.00 3.87 C ATOM 641 C GLN A 41 -6.543 3.778 0.241 1.00 4.79 C ATOM 642 O GLN A 41 -5.920 4.463 -0.540 1.00 6.34 O ATOM 643 CB GLN A 41 -6.447 1.864 -1.168 1.00 4.20 C ATOM 644 CG GLN A 41 -7.095 0.598 -1.861 1.00 3.20 C ATOM 645 CD GLN A 41 -6.099 -0.159 -2.689 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.997 -0.452 -2.224 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.367 -0.393 -3.986 1.00 7.13 N ATOM 0 H GLN A 41 -8.319 3.874 -1.867 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.980 2.164 0.475 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.014 2.506 -1.935 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.628 1.538 -0.527 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.508 -0.062 -1.098 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.925 0.915 -2.492 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.280 -0.150 -4.370 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.657 -0.814 -4.586 1.00 7.13 H new ATOM 656 N ARG A 42 -6.465 3.829 1.626 1.00 5.73 N ATOM 657 CA ARG A 42 -5.378 4.449 2.323 1.00 6.97 C ATOM 658 C ARG A 42 -4.323 3.433 2.686 1.00 7.15 C ATOM 659 O ARG A 42 -4.715 2.355 3.204 1.00 7.33 O ATOM 660 CB ARG A 42 -5.844 5.024 3.667 1.00 13.23 C ATOM 661 CG ARG A 42 -6.948 6.079 3.525 1.00 21.27 C ATOM 662 CD ARG A 42 -7.894 6.162 4.805 1.00 26.14 C ATOM 663 NE ARG A 42 -8.657 7.439 4.533 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.939 7.599 4.732 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.750 6.568 4.949 1.00 35.30 N ATOM 666 NH2 ARG A 42 -10.487 8.824 4.607 1.00 36.39 N ATOM 0 H ARG A 42 -7.174 3.430 2.241 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.994 5.222 1.657 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.207 4.211 4.296 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.991 5.468 4.180 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.492 7.054 3.352 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.552 5.850 2.647 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.554 5.298 4.884 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.325 6.214 5.733 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.133 8.234 4.167 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -10.376 5.619 4.964 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.746 6.726 5.101 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.902 9.621 4.358 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.487 8.954 4.761 1.00 36.39 H new ATOM 680 N LEU A 43 -2.953 3.702 2.423 1.00 4.65 N ATOM 681 CA LEU A 43 -1.935 2.823 2.920 1.00 3.51 C ATOM 682 C LEU A 43 -1.132 3.469 4.035 1.00 5.56 C ATOM 683 O LEU A 43 -0.857 4.670 4.014 1.00 4.19 O ATOM 684 CB LEU A 43 -0.911 2.358 1.752 1.00 3.74 C ATOM 685 CG LEU A 43 -1.609 1.773 0.559 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.544 1.451 -0.472 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.571 0.556 0.859 1.00 6.41 C ATOM 0 H LEU A 43 -2.611 4.500 1.888 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.459 1.949 3.307 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.317 3.215 1.434 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.217 1.622 2.157 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.309 2.516 0.177 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.013 1.022 -1.358 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.016 2.364 -0.747 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.163 0.735 -0.053 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.022 0.211 -0.071 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.000 -0.257 1.308 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.355 0.873 1.547 1.00 6.41 H new ATOM 699 N ILE A 44 -0.857 2.672 5.120 1.00 4.58 N ATOM 700 CA ILE A 44 -0.167 3.191 6.343 1.00 5.55 C ATOM 701 C ILE A 44 0.981 2.328 6.745 1.00 5.46 C ATOM 702 O ILE A 44 0.893 1.110 6.772 1.00 6.04 O ATOM 703 CB ILE A 44 -1.171 3.296 7.519 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.523 3.935 6.958 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.595 3.959 8.723 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.526 4.571 7.966 1.00 13.90 C ATOM 0 H ILE A 44 -1.100 1.683 5.169 1.00 4.58 H new ATOM 0 HA ILE A 44 0.224 4.179 6.099 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.410 2.305 7.904 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.250 4.703 6.235 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.054 3.156 6.411 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.348 4.001 9.510 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.266 3.390 9.074 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.281 4.971 8.466 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.389 4.958 7.425 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.854 3.815 8.679 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.037 5.386 8.500 1.00 13.90 H new ATOM 718 N PHE A 45 2.105 2.925 7.078 1.00 6.75 N ATOM 719 CA PHE A 45 3.346 2.229 7.530 1.00 4.70 C ATOM 720 C PHE A 45 3.993 3.144 8.551 1.00 6.34 C ATOM 721 O PHE A 45 3.934 4.333 8.364 1.00 5.45 O ATOM 722 CB PHE A 45 4.301 2.111 6.336 1.00 5.51 C ATOM 723 CG PHE A 45 5.539 1.315 6.588 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.639 -0.034 6.985 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.728 2.037 6.331 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.913 -0.578 7.216 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.924 1.457 6.482 1.00 6.64 C ATOM 728 CZ PHE A 45 8.045 0.123 6.863 1.00 6.84 C ATOM 0 H PHE A 45 2.210 3.939 7.049 1.00 6.75 H new ATOM 0 HA PHE A 45 3.129 1.241 7.936 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.762 1.660 5.503 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.591 3.114 6.022 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.752 -0.638 7.109 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.670 3.066 6.010 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.006 -1.552 7.673 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.817 2.037 6.304 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.013 -0.355 6.881 1.00 6.84 H new ATOM 738 N ALA A 46 4.590 2.628 9.631 1.00 6.53 N ATOM 739 CA ALA A 46 5.156 3.415 10.702 1.00 7.15 C ATOM 740 C ALA A 46 4.183 4.315 11.481 1.00 9.00 C ATOM 741 O ALA A 46 4.574 5.129 12.325 1.00 11.15 O ATOM 742 CB ALA A 46 6.382 4.311 10.258 1.00 8.99 C ATOM 0 H ALA A 46 4.689 1.623 9.776 1.00 6.53 H new ATOM 0 HA ALA A 46 5.482 2.622 11.375 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.752 4.872 11.116 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.177 3.674 9.871 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.063 5.005 9.481 1.00 8.99 H new ATOM 748 N GLY A 47 2.900 4.074 11.262 1.00 9.35 N ATOM 749 CA GLY A 47 1.875 4.939 11.696 1.00 11.68 C ATOM 750 C GLY A 47 1.593 6.121 10.764 1.00 11.14 C ATOM 751 O GLY A 47 0.843 6.998 11.099 1.00 13.93 O ATOM 0 H GLY A 47 2.561 3.250 10.766 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.958 4.362 11.815 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.138 5.326 12.681 1.00 11.68 H new ATOM 755 N LYS A 48 2.233 6.185 9.544 1.00 10.47 N ATOM 756 CA LYS A 48 2.273 7.362 8.666 1.00 8.82 C ATOM 757 C LYS A 48 1.621 6.974 7.368 1.00 7.68 C ATOM 758 O LYS A 48 1.935 5.976 6.697 1.00 6.47 O ATOM 759 CB LYS A 48 3.689 7.919 8.680 1.00 9.74 C ATOM 760 CG LYS A 48 4.233 8.303 10.078 1.00 14.14 C ATOM 761 CD LYS A 48 5.497 9.191 9.977 1.00 16.32 C ATOM 762 CE LYS A 48 6.688 8.352 9.637 1.00 20.04 C ATOM 763 NZ LYS A 48 7.856 9.183 9.658 1.00 23.92 N ATOM 0 H LYS A 48 2.740 5.389 9.157 1.00 10.47 H new ATOM 0 HA LYS A 48 1.688 8.225 8.985 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.357 7.180 8.238 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.722 8.801 8.040 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.461 8.832 10.636 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.468 7.398 10.638 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.353 9.957 9.215 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.664 9.708 10.922 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.792 7.536 10.352 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.563 7.900 8.653 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.693 8.612 9.423 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.751 9.947 8.960 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.973 9.594 10.606 1.00 23.92 H new ATOM 777 N GLN A 49 0.609 7.727 6.986 1.00 8.89 N ATOM 778 CA GLN A 49 -0.125 7.501 5.823 1.00 7.18 C ATOM 779 C GLN A 49 0.618 7.965 4.560 1.00 8.23 C ATOM 780 O GLN A 49 1.343 8.969 4.553 1.00 9.70 O ATOM 781 CB GLN A 49 -1.517 8.181 5.939 1.00 11.67 C ATOM 782 CG GLN A 49 -2.531 7.836 4.836 1.00 15.82 C ATOM 783 CD GLN A 49 -3.846 8.501 5.079 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.859 7.911 5.547 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.843 9.834 4.778 1.00 20.67 N ATOM 0 H GLN A 49 0.288 8.536 7.518 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.261 6.425 5.719 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.952 7.911 6.902 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.372 9.261 5.946 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.138 8.146 3.868 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.670 6.756 4.792 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.001 10.270 4.401 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.683 10.393 4.930 1.00 20.67 H new ATOM 794 N LEU A 50 0.553 7.301 3.429 1.00 6.51 N ATOM 795 CA LEU A 50 1.539 7.439 2.368 1.00 7.41 C ATOM 796 C LEU A 50 0.799 7.987 1.168 1.00 8.27 C ATOM 797 O LEU A 50 -0.296 7.586 0.786 1.00 8.34 O ATOM 798 CB LEU A 50 2.197 6.025 2.025 1.00 7.13 C ATOM 799 CG LEU A 50 2.653 5.219 3.247 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.357 3.858 2.811 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.671 5.966 4.046 1.00 9.11 C ATOM 0 H LEU A 50 -0.193 6.640 3.212 1.00 6.51 H new ATOM 0 HA LEU A 50 2.350 8.103 2.668 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.477 5.431 1.463 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.055 6.187 1.373 1.00 7.13 H new ATOM 0 HG LEU A 50 1.752 5.032 3.832 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.669 3.309 3.699 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.655 3.252 2.238 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.230 4.080 2.197 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.972 5.365 4.904 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.542 6.172 3.424 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.243 6.906 4.393 1.00 9.11 H new ATOM 813 N GLU A 51 1.429 8.921 0.498 1.00 9.43 N ATOM 814 CA GLU A 51 0.878 9.611 -0.708 1.00 11.90 C ATOM 815 C GLU A 51 1.388 8.974 -1.994 1.00 11.49 C ATOM 816 O GLU A 51 2.539 8.693 -2.074 1.00 9.88 O ATOM 817 CB GLU A 51 1.088 11.169 -0.706 1.00 16.56 C ATOM 818 CG GLU A 51 0.668 11.889 0.601 1.00 26.06 C ATOM 819 CD GLU A 51 0.722 13.409 0.533 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.167 14.085 0.000 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.738 14.050 1.013 1.00 33.44 O ATOM 0 H GLU A 51 2.359 9.250 0.757 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.202 9.468 -0.661 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.141 11.378 -0.895 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.524 11.597 -1.535 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.347 11.586 0.857 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.315 11.551 1.410 1.00 26.06 H new ATOM 828 N ASP A 52 0.472 8.796 -2.910 1.00 12.71 N ATOM 829 CA ASP A 52 0.626 8.054 -4.127 1.00 16.56 C ATOM 830 C ASP A 52 1.836 8.354 -5.086 1.00 15.83 C ATOM 831 O ASP A 52 2.406 7.388 -5.610 1.00 17.21 O ATOM 832 CB ASP A 52 -0.722 8.189 -4.963 1.00 21.05 C ATOM 833 CG ASP A 52 -1.972 8.031 -4.055 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.211 9.005 -3.274 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.688 6.979 -4.102 1.00 25.82 O ATOM 0 H ASP A 52 -0.463 9.194 -2.816 1.00 12.71 H new ATOM 0 HA ASP A 52 0.859 7.052 -3.766 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.750 9.160 -5.457 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.743 7.432 -5.747 1.00 21.05 H new ATOM 840 N GLY A 53 2.201 9.595 -5.268 1.00 15.00 N ATOM 841 CA GLY A 53 3.194 10.032 -6.188 1.00 11.77 C ATOM 842 C GLY A 53 4.665 9.875 -5.812 1.00 11.10 C ATOM 843 O GLY A 53 5.526 10.154 -6.578 1.00 11.25 O ATOM 0 H GLY A 53 1.784 10.365 -4.744 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.034 9.498 -7.125 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.016 11.088 -6.389 1.00 11.77 H new ATOM 847 N ARG A 54 4.949 9.213 -4.658 1.00 8.53 N ATOM 848 CA ARG A 54 6.208 9.081 -3.951 1.00 9.05 C ATOM 849 C ARG A 54 6.692 7.657 -4.083 1.00 8.96 C ATOM 850 O ARG A 54 5.877 6.745 -4.221 1.00 11.60 O ATOM 851 CB ARG A 54 6.131 9.504 -2.487 1.00 7.97 C ATOM 852 CG ARG A 54 5.570 10.886 -2.140 1.00 9.62 C ATOM 853 CD ARG A 54 6.397 12.069 -2.643 1.00 12.20 C ATOM 854 NE ARG A 54 5.731 13.357 -2.168 1.00 18.23 N ATOM 855 CZ ARG A 54 5.875 14.598 -2.745 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.782 14.843 -3.663 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.166 15.626 -2.239 1.00 23.38 N ATOM 0 H ARG A 54 4.208 8.713 -4.166 1.00 8.53 H new ATOM 0 HA ARG A 54 6.921 9.766 -4.409 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.528 8.763 -1.962 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.138 9.445 -2.074 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.564 10.966 -2.551 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.478 10.962 -1.056 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.417 12.007 -2.264 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.460 12.053 -3.731 1.00 12.20 H new ATOM 0 HE ARG A 54 5.125 13.292 -1.350 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.410 14.100 -3.971 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.859 15.776 -4.068 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.541 15.474 -1.447 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.254 16.556 -2.648 1.00 23.38 H new ATOM 871 N THR A 55 7.994 7.299 -4.085 1.00 9.05 N ATOM 872 CA THR A 55 8.535 5.966 -4.208 1.00 9.03 C ATOM 873 C THR A 55 8.431 5.203 -2.922 1.00 8.15 C ATOM 874 O THR A 55 8.196 5.750 -1.832 1.00 5.91 O ATOM 875 CB THR A 55 9.939 5.875 -4.787 1.00 11.15 C ATOM 876 OG1 THR A 55 10.913 6.377 -3.919 1.00 11.95 O ATOM 877 CG2 THR A 55 9.958 6.596 -6.175 1.00 11.71 C ATOM 0 H THR A 55 8.731 7.998 -3.993 1.00 9.05 H new ATOM 0 HA THR A 55 7.898 5.495 -4.956 1.00 9.03 H new ATOM 0 HB THR A 55 10.194 4.824 -4.923 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.933 7.355 -3.980 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.959 6.538 -6.601 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.249 6.111 -6.846 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.679 7.642 -6.046 1.00 11.71 H new ATOM 885 N LEU A 56 8.661 3.911 -2.938 1.00 6.91 N ATOM 886 CA LEU A 56 8.938 3.124 -1.810 1.00 8.29 C ATOM 887 C LEU A 56 10.164 3.443 -1.026 1.00 8.05 C ATOM 888 O LEU A 56 10.160 3.455 0.187 1.00 10.17 O ATOM 889 CB LEU A 56 8.957 1.627 -2.221 1.00 6.60 C ATOM 890 CG LEU A 56 7.513 1.077 -2.668 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.741 -0.286 -3.215 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.461 0.924 -1.492 1.00 8.64 C ATOM 0 H LEU A 56 8.654 3.370 -3.803 1.00 6.91 H new ATOM 0 HA LEU A 56 8.128 3.364 -1.121 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.661 1.491 -3.042 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.323 1.031 -1.385 1.00 6.60 H new ATOM 0 HG LEU A 56 7.096 1.800 -3.369 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.791 -0.713 -3.537 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.419 -0.228 -4.066 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.180 -0.919 -2.444 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.520 0.548 -1.893 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.845 0.225 -0.749 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.294 1.894 -1.025 1.00 8.64 H new ATOM 904 N SER A 57 11.279 3.752 -1.795 1.00 8.92 N ATOM 905 CA SER A 57 12.495 4.287 -1.289 1.00 9.00 C ATOM 906 C SER A 57 12.416 5.591 -0.505 1.00 9.44 C ATOM 907 O SER A 57 13.061 5.754 0.565 1.00 10.91 O ATOM 908 CB SER A 57 13.623 4.382 -2.323 1.00 10.32 C ATOM 909 OG SER A 57 13.467 5.535 -3.157 1.00 13.59 O ATOM 0 H SER A 57 11.299 3.611 -2.805 1.00 8.92 H new ATOM 0 HA SER A 57 12.739 3.518 -0.556 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.585 4.427 -1.812 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.631 3.483 -2.939 1.00 10.32 H new ATOM 0 HG SER A 57 12.514 5.698 -3.315 1.00 13.59 H new ATOM 915 N ASP A 58 11.569 6.517 -0.915 1.00 9.11 N ATOM 916 CA ASP A 58 11.269 7.774 -0.217 1.00 7.91 C ATOM 917 C ASP A 58 10.731 7.654 1.195 1.00 9.12 C ATOM 918 O ASP A 58 10.963 8.509 2.089 1.00 8.61 O ATOM 919 CB ASP A 58 10.237 8.486 -1.087 1.00 8.41 C ATOM 920 CG ASP A 58 10.757 9.092 -2.343 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.736 9.819 -2.260 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.190 8.778 -3.410 1.00 11.70 O ATOM 0 H ASP A 58 11.042 6.418 -1.783 1.00 9.11 H new ATOM 0 HA ASP A 58 12.211 8.307 -0.087 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.454 7.773 -1.347 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.769 9.271 -0.494 1.00 8.41 H new ATOM 927 N TYR A 59 9.927 6.679 1.432 1.00 7.97 N ATOM 928 CA TYR A 59 9.289 6.405 2.669 1.00 8.45 C ATOM 929 C TYR A 59 10.118 5.355 3.364 1.00 10.98 C ATOM 930 O TYR A 59 9.799 4.891 4.429 1.00 12.95 O ATOM 931 CB TYR A 59 7.883 5.796 2.337 1.00 7.94 C ATOM 932 CG TYR A 59 6.974 6.882 1.945 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.762 7.977 2.811 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.290 6.908 0.757 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.866 9.001 2.533 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.316 7.863 0.485 1.00 6.52 C ATOM 937 CZ TYR A 59 5.072 8.899 1.356 1.00 6.76 C ATOM 938 OH TYR A 59 4.079 9.878 1.161 1.00 7.63 O ATOM 0 H TYR A 59 9.680 6.001 0.711 1.00 7.97 H new ATOM 0 HA TYR A 59 9.186 7.295 3.290 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.969 5.067 1.531 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.487 5.267 3.204 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.323 8.020 3.733 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.515 6.163 0.008 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.774 9.852 3.192 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.741 7.790 -0.426 1.00 6.52 H new ATOM 0 HH TYR A 59 4.363 10.719 1.576 1.00 7.63 H new ATOM 948 N ASN A 60 11.299 4.899 2.789 1.00 12.38 N ATOM 949 CA ASN A 60 12.210 3.963 3.379 1.00 13.94 C ATOM 950 C ASN A 60 11.648 2.554 3.654 1.00 14.16 C ATOM 951 O ASN A 60 11.939 1.898 4.639 1.00 14.26 O ATOM 952 CB ASN A 60 12.912 4.493 4.600 1.00 19.23 C ATOM 953 CG ASN A 60 13.474 5.902 4.516 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.045 6.811 5.218 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.602 6.065 3.734 1.00 24.09 N ATOM 0 H ASN A 60 11.607 5.215 1.869 1.00 12.38 H new ATOM 0 HA ASN A 60 12.944 3.837 2.583 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.213 4.457 5.435 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.731 3.815 4.840 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.097 6.957 3.733 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.939 5.293 3.158 1.00 24.09 H new ATOM 962 N ILE A 61 10.734 2.080 2.717 1.00 11.08 N ATOM 963 CA ILE A 61 10.037 0.797 2.815 1.00 11.78 C ATOM 964 C ILE A 61 11.007 -0.216 2.179 1.00 13.74 C ATOM 965 O ILE A 61 11.233 -0.347 0.955 1.00 14.60 O ATOM 966 CB ILE A 61 8.642 0.815 2.168 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.700 1.902 2.839 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.042 -0.617 2.139 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.733 2.483 1.801 1.00 11.42 C ATOM 0 H ILE A 61 10.484 2.608 1.881 1.00 11.08 H new ATOM 0 HA ILE A 61 9.809 0.533 3.848 1.00 11.78 H new ATOM 0 HB ILE A 61 8.734 1.129 1.128 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.138 1.451 3.657 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.304 2.700 3.270 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.055 -0.588 1.678 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.693 -1.273 1.561 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.956 -0.996 3.157 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.093 3.227 2.276 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.301 2.952 0.997 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.116 1.683 1.391 1.00 11.42 H new ATOM 981 N GLN A 62 11.649 -1.048 3.050 1.00 13.97 N ATOM 982 CA GLN A 62 12.668 -2.082 2.625 1.00 15.52 C ATOM 983 C GLN A 62 11.920 -3.318 2.416 1.00 13.94 C ATOM 984 O GLN A 62 10.716 -3.329 2.608 1.00 12.15 O ATOM 985 CB GLN A 62 13.803 -2.191 3.637 1.00 19.53 C ATOM 986 CG GLN A 62 14.781 -0.989 3.496 1.00 26.38 C ATOM 987 CD GLN A 62 15.836 -0.910 4.587 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.699 -1.560 5.633 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.865 -0.079 4.519 1.00 32.71 N ATOM 0 H GLN A 62 11.485 -1.030 4.057 1.00 13.97 H new ATOM 0 HA GLN A 62 13.177 -1.811 1.700 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.395 -2.218 4.647 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.343 -3.126 3.486 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.279 -1.053 2.529 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.204 -0.064 3.497 1.00 26.38 H new ATOM 0 HE21 GLN A 62 17.017 0.476 3.677 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.505 0.005 5.308 1.00 32.71 H new ATOM 998 N LYS A 63 12.588 -4.378 2.040 1.00 11.73 N ATOM 999 CA LYS A 63 12.035 -5.705 1.876 1.00 11.97 C ATOM 1000 C LYS A 63 11.602 -6.428 3.135 1.00 10.41 C ATOM 1001 O LYS A 63 12.222 -6.377 4.165 1.00 9.59 O ATOM 1002 CB LYS A 63 12.850 -6.761 1.040 1.00 13.73 C ATOM 1003 CG LYS A 63 14.235 -6.970 1.563 1.00 16.98 C ATOM 1004 CD LYS A 63 14.968 -8.040 0.660 1.00 20.19 C ATOM 1005 CE LYS A 63 16.466 -8.249 1.071 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.014 -9.179 0.110 1.00 25.97 N ATOM 0 H LYS A 63 13.585 -4.341 1.828 1.00 11.73 H new ATOM 0 HA LYS A 63 11.172 -5.380 1.295 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.317 -7.712 1.046 1.00 13.73 H new ATOM 0 HB3 LYS A 63 12.904 -6.432 0.002 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.786 -6.030 1.556 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.200 -7.311 2.598 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.440 -8.991 0.729 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.921 -7.724 -0.382 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.011 -7.305 1.056 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.542 -8.644 2.084 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.014 -9.359 0.332 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.484 -10.073 0.151 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.939 -8.775 -0.846 1.00 25.97 H new ATOM 1020 N GLU A 64 10.494 -7.188 2.932 1.00 10.04 N ATOM 1021 CA GLU A 64 9.791 -8.007 3.867 1.00 10.94 C ATOM 1022 C GLU A 64 9.163 -7.172 4.953 1.00 9.74 C ATOM 1023 O GLU A 64 8.939 -7.669 6.050 1.00 9.42 O ATOM 1024 CB GLU A 64 10.653 -9.242 4.391 1.00 18.31 C ATOM 1025 CG GLU A 64 11.155 -10.205 3.276 1.00 24.16 C ATOM 1026 CD GLU A 64 11.860 -11.353 3.933 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.197 -11.813 4.893 1.00 31.72 O ATOM 1028 OE2 GLU A 64 12.975 -11.789 3.535 1.00 32.61 O ATOM 0 H GLU A 64 10.055 -7.223 2.012 1.00 10.04 H new ATOM 0 HA GLU A 64 8.964 -8.481 3.338 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.515 -8.860 4.937 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.053 -9.811 5.101 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.317 -10.565 2.679 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.829 -9.683 2.597 1.00 24.16 H new ATOM 1035 N SER A 65 8.797 -5.922 4.630 1.00 6.85 N ATOM 1036 CA SER A 65 8.048 -5.008 5.452 1.00 6.90 C ATOM 1037 C SER A 65 6.592 -5.298 5.398 1.00 4.72 C ATOM 1038 O SER A 65 6.073 -5.811 4.445 1.00 3.91 O ATOM 1039 CB SER A 65 8.114 -3.546 4.878 1.00 7.28 C ATOM 1040 OG SER A 65 9.302 -2.928 5.128 1.00 10.56 O ATOM 0 H SER A 65 9.040 -5.514 3.727 1.00 6.85 H new ATOM 0 HA SER A 65 8.476 -5.110 6.449 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.946 -3.577 3.801 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.306 -2.955 5.310 1.00 7.28 H new ATOM 0 HG SER A 65 9.885 -3.011 4.345 1.00 10.56 H new ATOM 1046 N THR A 66 5.826 -4.918 6.443 1.00 4.48 N ATOM 1047 CA THR A 66 4.401 -5.194 6.488 1.00 3.80 C ATOM 1048 C THR A 66 3.681 -3.843 6.577 1.00 4.60 C ATOM 1049 O THR A 66 4.046 -2.994 7.328 1.00 5.33 O ATOM 1050 CB THR A 66 4.002 -5.983 7.709 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.614 -7.260 7.794 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.470 -6.239 7.710 1.00 3.40 C ATOM 0 H THR A 66 6.184 -4.421 7.259 1.00 4.48 H new ATOM 0 HA THR A 66 4.140 -5.773 5.603 1.00 3.80 H new ATOM 0 HB THR A 66 4.328 -5.374 8.552 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.312 -7.714 8.608 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.197 -6.810 8.598 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.942 -5.286 7.715 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.195 -6.802 6.818 1.00 3.40 H new ATOM 1060 N LEU A 67 2.764 -3.520 5.681 1.00 4.17 N ATOM 1061 CA LEU A 67 2.097 -2.202 5.534 1.00 3.85 C ATOM 1062 C LEU A 67 0.584 -2.301 5.622 1.00 3.80 C ATOM 1063 O LEU A 67 -0.053 -3.286 5.220 1.00 5.54 O ATOM 1064 CB LEU A 67 2.447 -1.576 4.129 1.00 7.18 C ATOM 1065 CG LEU A 67 3.984 -1.399 3.950 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.680 -2.548 3.235 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.319 -0.079 3.238 1.00 11.66 C ATOM 0 H LEU A 67 2.435 -4.195 4.991 1.00 4.17 H new ATOM 0 HA LEU A 67 2.460 -1.581 6.353 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.059 -2.217 3.337 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.954 -0.609 4.027 1.00 7.18 H new ATOM 0 HG LEU A 67 4.372 -1.387 4.969 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.746 -2.336 3.157 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.534 -3.469 3.799 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.259 -2.663 2.236 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.400 0.012 3.130 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.853 -0.069 2.252 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.942 0.758 3.826 1.00 11.66 H new ATOM 1079 N HIS A 68 0.001 -1.353 6.179 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.346 -1.471 6.642 1.00 4.17 C ATOM 1081 C HIS A 68 -2.303 -0.870 5.695 1.00 5.32 C ATOM 1082 O HIS A 68 -2.184 0.320 5.430 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.586 -0.945 8.055 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.562 -1.524 9.017 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.702 -1.043 9.201 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.640 -2.691 9.738 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.366 -1.935 9.970 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.622 -2.896 10.326 1.00 16.30 N ATOM 0 H HIS A 68 0.426 -0.441 6.345 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.521 -2.546 6.694 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.524 0.143 8.060 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.592 -1.209 8.382 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -1.505 -3.330 9.835 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.405 -1.840 10.247 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.888 -3.675 10.928 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.301 -1.617 5.200 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.234 -1.081 4.290 1.00 3.97 C ATOM 1098 C LEU A 69 -5.441 -0.699 5.007 1.00 5.07 C ATOM 1099 O LEU A 69 -6.070 -1.455 5.763 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.460 -2.272 3.220 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.715 -2.355 2.227 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.874 -1.262 1.194 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.569 -3.675 1.508 1.00 9.96 C ATOM 0 H LEU A 69 -3.454 -2.597 5.437 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.907 -0.173 3.783 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.571 -2.288 2.590 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.462 -3.200 3.792 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.605 -2.241 2.846 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.766 -1.453 0.597 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.972 -0.299 1.695 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.999 -1.245 0.544 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.396 -3.802 0.809 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.626 -3.689 0.962 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.580 -4.488 2.234 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.897 0.631 4.933 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.182 1.026 5.476 1.00 6.26 C ATOM 1117 C VAL A 70 -8.040 1.470 4.307 1.00 9.22 C ATOM 1118 O VAL A 70 -7.663 2.338 3.468 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.980 2.117 6.501 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.398 2.535 6.998 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.249 1.595 7.739 1.00 8.54 C ATOM 0 H VAL A 70 -5.369 1.391 4.503 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.683 0.207 5.991 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.407 2.924 6.045 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.304 3.325 7.744 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.986 2.899 6.156 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.896 1.674 7.443 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.121 2.407 8.455 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.833 0.796 8.196 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.272 1.210 7.449 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.288 0.941 4.302 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.336 1.202 3.389 1.00 16.06 C ATOM 1133 C LEU A 71 -10.893 2.621 3.448 1.00 18.09 C ATOM 1134 O LEU A 71 -10.809 3.379 4.434 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.520 0.145 3.519 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.369 -1.061 2.598 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.737 -0.738 1.120 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.017 -1.809 2.795 1.00 19.57 C ATOM 0 H LEU A 71 -9.572 0.268 5.014 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.867 1.097 2.411 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.574 -0.202 4.551 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.465 0.642 3.300 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.119 -1.790 2.906 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.611 -1.632 0.510 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.774 -0.406 1.067 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -11.084 0.051 0.746 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.968 -2.657 2.112 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.191 -1.128 2.588 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.945 -2.165 3.823 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.392 3.013 2.211 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.692 4.398 1.972 1.00 25.83 C ATOM 1152 C ARG A 72 -13.014 4.522 1.152 1.00 27.74 C ATOM 1153 O ARG A 72 -13.385 3.654 0.391 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.547 5.234 1.303 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.838 6.726 1.066 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.645 7.612 0.726 1.00 34.05 C ATOM 1157 NE ARG A 72 -10.100 9.034 0.747 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.424 10.002 0.197 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.254 9.925 -0.430 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.977 11.210 0.240 1.00 35.02 N ATOM 0 H ARG A 72 -11.572 2.385 1.427 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.808 4.840 2.962 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.657 5.155 1.927 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.306 4.776 0.344 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.563 6.807 0.256 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.314 7.126 1.961 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.841 7.459 1.446 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.247 7.354 -0.256 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.979 9.257 1.213 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -7.783 9.025 -0.521 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.828 10.766 -0.820 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -10.884 11.340 0.687 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.494 12.007 -0.174 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.797 5.653 1.386 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.045 5.917 0.630 1.00 30.76 C ATOM 1176 C LEU A 73 -15.011 7.410 0.201 1.00 32.18 C ATOM 1177 O LEU A 73 -14.284 8.255 0.753 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.366 5.683 1.410 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.737 4.233 1.812 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.902 4.175 2.838 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.001 3.298 0.653 1.00 29.11 C ATOM 0 H LEU A 73 -13.570 6.365 2.081 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.059 5.207 -0.197 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.324 6.280 2.321 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.183 6.080 0.807 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.832 3.863 2.294 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.119 3.135 3.083 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.616 4.710 3.744 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.789 4.639 2.408 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.252 2.308 1.034 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.831 3.680 0.059 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.110 3.231 0.029 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.833 7.848 -0.771 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.923 9.326 -0.974 1.00 35.33 C ATOM 1195 C ARG A 74 -16.304 10.167 0.248 1.00 36.22 C ATOM 1196 O ARG A 74 -15.662 11.189 0.525 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.835 9.795 -2.138 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.513 9.056 -3.468 1.00 38.62 C ATOM 1199 CD ARG A 74 -15.101 9.234 -4.088 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.256 8.541 -5.422 1.00 41.13 N ATOM 1201 CZ ARG A 74 -14.355 8.416 -6.367 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.199 9.009 -6.349 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -14.670 7.636 -7.417 1.00 41.93 N ATOM 0 H ARG A 74 -16.404 7.268 -1.386 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.878 9.511 -1.221 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.878 9.624 -1.872 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.715 10.869 -2.282 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -16.671 7.990 -3.302 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.244 9.375 -4.211 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -14.835 10.285 -4.202 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -14.325 8.773 -3.476 1.00 39.75 H new ATOM 0 HE ARG A 74 -16.167 8.122 -5.609 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -12.948 9.614 -5.567 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -12.542 8.869 -7.117 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -15.578 7.172 -7.454 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -14.001 7.509 -8.177 1.00 41.93 H new ATOM 1217 N GLY A 75 -17.299 9.681 1.052 1.00 36.31 N ATOM 1218 CA GLY A 75 -17.767 10.221 2.338 1.00 36.07 C ATOM 1219 C GLY A 75 -17.007 9.617 3.474 1.00 36.16 C ATOM 1220 O GLY A 75 -17.245 9.869 4.674 1.00 36.26 O ATOM 0 H GLY A 75 -17.821 8.845 0.787 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -17.646 11.304 2.349 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -18.831 10.018 2.457 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.049 8.707 3.225 1.00 36.05 N ATOM 1225 CA GLY A 76 -15.383 7.904 4.277 1.00 36.19 C ATOM 1226 C GLY A 76 -13.865 7.961 4.188 1.00 36.20 C ATOM 1227 O GLY A 76 -13.241 8.998 4.598 1.00 0.00 O ATOM 1228 OXT GLY A 76 -13.264 6.885 3.805 1.00 0.00 O ATOM 0 H GLY A 76 -15.710 8.504 2.285 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -15.699 8.263 5.257 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -15.709 6.867 4.197 1.00 36.19 H new TER 1232 GLY A 76