USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 441 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 4 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 SER N :NH3+ -108:sc= 0.436 (180deg=0.0233) USER MOD Single : A 1 SER OG : rot 180:sc= 0.243 USER MOD Single : A 3 THR OG1 : rot -130:sc= 0.147 USER MOD Single : A 8 ASN : amide:sc= -0.254 K(o=-0.25,f=-4.1!) USER MOD Single : A 9 THR OG1 : rot -95:sc= 0.526 USER MOD Single : A 11 SER OG : rot -120:sc= 0.265 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= -1.65! (180deg=-3.54!) USER MOD Single : A 18 TYR OH : rot 50:sc= -0.633 USER MOD Single : A 21 GLN : amide:sc= -0.484 K(o=-0.48,f=-4.2!) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 23 MET CE :methyl -155:sc= -0.0079 (180deg=-0.117) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -123:sc= 0.167 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0541 USER MOD Single : A 38 SER OG : rot -158:sc= -1.46! USER MOD Single : A 43 SER OG : rot 78:sc= 0.756 USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= 2.42 (180deg=2.34) USER MOD Single : A 48 LYS NZ :NH3+ -143:sc= 1.18 (180deg=-0.604) USER MOD Single : A 52 THR OG1 : rot -62:sc= 1.05 USER MOD Single : A 53 ASN : amide:sc= -0.003 X(o=-0.003,f=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0454 USER MOD Single : A 56 ASN : amide:sc= 0.472 K(o=0.47,f=-6.2!) USER MOD Single : A 57 SER OG : rot 180:sc= 0.013 USER MOD Single : A 62 ASN : amide:sc= -0.195 K(o=-0.2,f=-1.1) USER MOD Single : A 65 ASN : amide:sc= -2.63! K(o=-2.6!,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 16.568 6.397 4.121 1.00 0.00 N ATOM 2 CA SER A 1 15.377 5.526 4.153 1.00 0.00 C ATOM 3 C SER A 1 14.320 6.032 3.179 1.00 0.00 C ATOM 4 O SER A 1 13.323 6.637 3.578 1.00 0.00 O ATOM 5 CB SER A 1 14.820 5.483 5.575 1.00 0.00 C ATOM 6 OG SER A 1 15.809 5.887 6.512 1.00 0.00 O ATOM 0 H1 SER A 1 17.349 5.899 3.648 1.00 0.00 H new ATOM 0 H2 SER A 1 16.347 7.269 3.599 1.00 0.00 H new ATOM 0 H3 SER A 1 16.848 6.637 5.093 1.00 0.00 H new ATOM 0 HA SER A 1 15.660 4.518 3.849 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.951 6.137 5.651 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.481 4.474 5.808 1.00 0.00 H new ATOM 0 HG SER A 1 15.435 5.855 7.417 1.00 0.00 H new ATOM 14 N ALA A 2 14.553 5.785 1.898 1.00 0.00 N ATOM 15 CA ALA A 2 13.642 6.217 0.853 1.00 0.00 C ATOM 16 C ALA A 2 13.553 5.154 -0.231 1.00 0.00 C ATOM 17 O ALA A 2 14.269 5.202 -1.232 1.00 0.00 O ATOM 18 CB ALA A 2 14.094 7.546 0.267 1.00 0.00 C ATOM 0 H ALA A 2 15.373 5.283 1.557 1.00 0.00 H new ATOM 0 HA ALA A 2 12.651 6.357 1.286 1.00 0.00 H new ATOM 0 HB1 ALA A 2 13.399 7.854 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 2 14.115 8.302 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.092 7.436 -0.157 1.00 0.00 H new ATOM 24 N THR A 3 12.690 4.179 -0.009 1.00 0.00 N ATOM 25 CA THR A 3 12.513 3.080 -0.943 1.00 0.00 C ATOM 26 C THR A 3 11.915 3.560 -2.264 1.00 0.00 C ATOM 27 O THR A 3 10.935 4.310 -2.276 1.00 0.00 O ATOM 28 CB THR A 3 11.601 2.008 -0.325 1.00 0.00 C ATOM 29 OG1 THR A 3 11.461 2.254 1.081 1.00 0.00 O ATOM 30 CG2 THR A 3 12.164 0.613 -0.546 1.00 0.00 C ATOM 0 H THR A 3 12.095 4.126 0.818 1.00 0.00 H new ATOM 0 HA THR A 3 13.496 2.655 -1.148 1.00 0.00 H new ATOM 0 HB THR A 3 10.627 2.063 -0.812 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.639 1.428 1.577 1.00 0.00 H new ATOM 0 HG21 THR A 3 11.497 -0.124 -0.098 1.00 0.00 H new ATOM 0 HG22 THR A 3 12.251 0.421 -1.615 1.00 0.00 H new ATOM 0 HG23 THR A 3 13.148 0.540 -0.083 1.00 0.00 H new ATOM 38 N THR A 4 12.518 3.133 -3.368 1.00 0.00 N ATOM 39 CA THR A 4 12.014 3.455 -4.692 1.00 0.00 C ATOM 40 C THR A 4 10.838 2.547 -5.031 1.00 0.00 C ATOM 41 O THR A 4 11.006 1.346 -5.251 1.00 0.00 O ATOM 42 CB THR A 4 13.115 3.300 -5.758 1.00 0.00 C ATOM 43 OG1 THR A 4 14.384 3.696 -5.211 1.00 0.00 O ATOM 44 CG2 THR A 4 12.801 4.140 -6.985 1.00 0.00 C ATOM 0 H THR A 4 13.362 2.560 -3.368 1.00 0.00 H new ATOM 0 HA THR A 4 11.686 4.494 -4.688 1.00 0.00 H new ATOM 0 HB THR A 4 13.159 2.253 -6.057 1.00 0.00 H new ATOM 0 HG1 THR A 4 15.080 3.594 -5.893 1.00 0.00 H new ATOM 0 HG21 THR A 4 13.592 4.015 -7.724 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.851 3.819 -7.412 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.734 5.190 -6.700 1.00 0.00 H new ATOM 52 N ILE A 5 9.647 3.126 -5.056 1.00 0.00 N ATOM 53 CA ILE A 5 8.425 2.348 -5.191 1.00 0.00 C ATOM 54 C ILE A 5 8.140 1.939 -6.632 1.00 0.00 C ATOM 55 O ILE A 5 8.185 2.758 -7.555 1.00 0.00 O ATOM 56 CB ILE A 5 7.201 3.107 -4.645 1.00 0.00 C ATOM 57 CG1 ILE A 5 7.523 3.768 -3.303 1.00 0.00 C ATOM 58 CG2 ILE A 5 6.023 2.156 -4.498 1.00 0.00 C ATOM 59 CD1 ILE A 5 6.502 4.801 -2.874 1.00 0.00 C ATOM 0 H ILE A 5 9.501 4.133 -4.984 1.00 0.00 H new ATOM 0 HA ILE A 5 8.593 1.447 -4.601 1.00 0.00 H new ATOM 0 HB ILE A 5 6.937 3.892 -5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 5 7.592 2.997 -2.535 1.00 0.00 H new ATOM 0 HG13 ILE A 5 8.502 4.242 -3.367 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.162 2.701 -4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.776 1.730 -5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.286 1.355 -3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.796 5.227 -1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.449 5.593 -3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 5 5.525 4.328 -2.777 1.00 0.00 H new ATOM 71 N GLY A 6 7.856 0.653 -6.795 1.00 0.00 N ATOM 72 CA GLY A 6 7.370 0.124 -8.050 1.00 0.00 C ATOM 73 C GLY A 6 6.301 -0.920 -7.792 1.00 0.00 C ATOM 74 O GLY A 6 6.325 -1.560 -6.744 1.00 0.00 O ATOM 0 H GLY A 6 7.958 -0.046 -6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.963 0.930 -8.661 1.00 0.00 H new ATOM 0 HA3 GLY A 6 8.193 -0.317 -8.612 1.00 0.00 H new ATOM 78 N PRO A 7 5.340 -1.115 -8.711 1.00 0.00 N ATOM 79 CA PRO A 7 4.239 -2.081 -8.525 1.00 0.00 C ATOM 80 C PRO A 7 4.713 -3.535 -8.460 1.00 0.00 C ATOM 81 O PRO A 7 3.920 -4.450 -8.227 1.00 0.00 O ATOM 82 CB PRO A 7 3.361 -1.864 -9.760 1.00 0.00 C ATOM 83 CG PRO A 7 4.264 -1.246 -10.770 1.00 0.00 C ATOM 84 CD PRO A 7 5.226 -0.399 -9.991 1.00 0.00 C ATOM 0 HA PRO A 7 3.726 -1.917 -7.577 1.00 0.00 H new ATOM 0 HB2 PRO A 7 2.949 -2.806 -10.122 1.00 0.00 H new ATOM 0 HB3 PRO A 7 2.516 -1.213 -9.535 1.00 0.00 H new ATOM 0 HG2 PRO A 7 4.790 -2.009 -11.344 1.00 0.00 H new ATOM 0 HG3 PRO A 7 3.700 -0.644 -11.482 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.189 -0.317 -10.494 1.00 0.00 H new ATOM 0 HD3 PRO A 7 4.851 0.615 -9.854 1.00 0.00 H new ATOM 92 N ASN A 8 6.009 -3.740 -8.651 1.00 0.00 N ATOM 93 CA ASN A 8 6.593 -5.078 -8.637 1.00 0.00 C ATOM 94 C ASN A 8 6.872 -5.546 -7.210 1.00 0.00 C ATOM 95 O ASN A 8 7.264 -6.692 -6.992 1.00 0.00 O ATOM 96 CB ASN A 8 7.890 -5.114 -9.458 1.00 0.00 C ATOM 97 CG ASN A 8 8.831 -3.962 -9.141 1.00 0.00 C ATOM 98 OD1 ASN A 8 8.751 -3.345 -8.077 1.00 0.00 O ATOM 99 ND2 ASN A 8 9.722 -3.656 -10.067 1.00 0.00 N ATOM 0 H ASN A 8 6.682 -2.992 -8.819 1.00 0.00 H new ATOM 0 HA ASN A 8 5.868 -5.756 -9.088 1.00 0.00 H new ATOM 0 HB2 ASN A 8 8.404 -6.057 -9.272 1.00 0.00 H new ATOM 0 HB3 ASN A 8 7.642 -5.091 -10.519 1.00 0.00 H new ATOM 0 HD21 ASN A 8 10.374 -2.886 -9.913 1.00 0.00 H new ATOM 0 HD22 ASN A 8 9.758 -4.189 -10.936 1.00 0.00 H new ATOM 106 N THR A 9 6.671 -4.653 -6.246 1.00 0.00 N ATOM 107 CA THR A 9 6.890 -4.972 -4.840 1.00 0.00 C ATOM 108 C THR A 9 5.891 -6.023 -4.362 1.00 0.00 C ATOM 109 O THR A 9 6.212 -7.209 -4.256 1.00 0.00 O ATOM 110 CB THR A 9 6.756 -3.710 -3.966 1.00 0.00 C ATOM 111 OG1 THR A 9 5.788 -2.824 -4.543 1.00 0.00 O ATOM 112 CG2 THR A 9 8.092 -2.997 -3.835 1.00 0.00 C ATOM 0 H THR A 9 6.355 -3.698 -6.415 1.00 0.00 H new ATOM 0 HA THR A 9 7.901 -5.368 -4.745 1.00 0.00 H new ATOM 0 HB THR A 9 6.429 -4.012 -2.971 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.244 -2.164 -5.106 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.971 -2.110 -3.214 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.818 -3.667 -3.374 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.446 -2.703 -4.823 1.00 0.00 H new ATOM 120 N CYS A 10 4.684 -5.580 -4.074 1.00 0.00 N ATOM 121 CA CYS A 10 3.613 -6.474 -3.682 1.00 0.00 C ATOM 122 C CYS A 10 2.613 -6.587 -4.825 1.00 0.00 C ATOM 123 O CYS A 10 2.172 -5.572 -5.367 1.00 0.00 O ATOM 124 CB CYS A 10 2.936 -5.955 -2.411 1.00 0.00 C ATOM 125 SG CYS A 10 3.713 -4.460 -1.709 1.00 0.00 S ATOM 0 H CYS A 10 4.419 -4.596 -4.105 1.00 0.00 H new ATOM 0 HA CYS A 10 4.017 -7.464 -3.468 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.891 -5.738 -2.632 1.00 0.00 H new ATOM 0 HB3 CYS A 10 2.946 -6.744 -1.659 1.00 0.00 H new ATOM 130 N SER A 11 2.281 -7.819 -5.211 1.00 0.00 N ATOM 131 CA SER A 11 1.419 -8.059 -6.366 1.00 0.00 C ATOM 132 C SER A 11 1.014 -9.528 -6.425 1.00 0.00 C ATOM 133 O SER A 11 1.084 -10.168 -7.473 1.00 0.00 O ATOM 134 CB SER A 11 2.129 -7.661 -7.673 1.00 0.00 C ATOM 135 OG SER A 11 3.477 -7.267 -7.442 1.00 0.00 O ATOM 0 H SER A 11 2.597 -8.666 -4.739 1.00 0.00 H new ATOM 0 HA SER A 11 0.526 -7.444 -6.256 1.00 0.00 H new ATOM 0 HB2 SER A 11 2.109 -8.501 -8.368 1.00 0.00 H new ATOM 0 HB3 SER A 11 1.587 -6.843 -8.147 1.00 0.00 H new ATOM 0 HG SER A 11 3.603 -6.342 -7.741 1.00 0.00 H new ATOM 141 N ILE A 12 0.595 -10.063 -5.287 1.00 0.00 N ATOM 142 CA ILE A 12 0.258 -11.479 -5.194 1.00 0.00 C ATOM 143 C ILE A 12 -1.140 -11.672 -4.618 1.00 0.00 C ATOM 144 O ILE A 12 -2.120 -11.752 -5.355 1.00 0.00 O ATOM 145 CB ILE A 12 1.277 -12.259 -4.327 1.00 0.00 C ATOM 146 CG1 ILE A 12 2.361 -11.327 -3.776 1.00 0.00 C ATOM 147 CG2 ILE A 12 1.906 -13.377 -5.140 1.00 0.00 C ATOM 148 CD1 ILE A 12 2.469 -11.345 -2.267 1.00 0.00 C ATOM 0 H ILE A 12 0.480 -9.542 -4.418 1.00 0.00 H new ATOM 0 HA ILE A 12 0.291 -11.875 -6.209 1.00 0.00 H new ATOM 0 HB ILE A 12 0.743 -12.691 -3.481 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.323 -11.610 -4.204 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.153 -10.309 -4.104 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.621 -13.919 -4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.129 -14.061 -5.480 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.421 -12.954 -6.003 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.257 -10.661 -1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.520 -11.033 -1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.708 -12.354 -1.931 1.00 0.00 H new ATOM 160 N ASP A 13 -1.222 -11.727 -3.296 1.00 0.00 N ATOM 161 CA ASP A 13 -2.493 -11.918 -2.598 1.00 0.00 C ATOM 162 C ASP A 13 -3.245 -10.588 -2.490 1.00 0.00 C ATOM 163 O ASP A 13 -3.611 -10.144 -1.402 1.00 0.00 O ATOM 164 CB ASP A 13 -2.219 -12.500 -1.208 1.00 0.00 C ATOM 165 CG ASP A 13 -3.475 -12.695 -0.374 1.00 0.00 C ATOM 166 OD1 ASP A 13 -4.408 -13.382 -0.837 1.00 0.00 O ATOM 167 OD2 ASP A 13 -3.534 -12.156 0.752 1.00 0.00 O ATOM 0 H ASP A 13 -0.416 -11.641 -2.677 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.118 -12.612 -3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.713 -13.459 -1.318 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.537 -11.839 -0.674 1.00 0.00 H new ATOM 172 N ASP A 14 -3.441 -9.945 -3.639 1.00 0.00 N ATOM 173 CA ASP A 14 -4.032 -8.608 -3.707 1.00 0.00 C ATOM 174 C ASP A 14 -3.282 -7.645 -2.795 1.00 0.00 C ATOM 175 O ASP A 14 -3.828 -6.644 -2.324 1.00 0.00 O ATOM 176 CB ASP A 14 -5.523 -8.628 -3.356 1.00 0.00 C ATOM 177 CG ASP A 14 -6.371 -7.971 -4.429 1.00 0.00 C ATOM 178 OD1 ASP A 14 -5.919 -6.964 -5.025 1.00 0.00 O ATOM 179 OD2 ASP A 14 -7.485 -8.469 -4.697 1.00 0.00 O ATOM 0 H ASP A 14 -3.195 -10.335 -4.549 1.00 0.00 H new ATOM 0 HA ASP A 14 -3.941 -8.261 -4.736 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -5.849 -9.659 -3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.678 -8.115 -2.407 1.00 0.00 H new ATOM 184 N TYR A 15 -2.017 -7.969 -2.556 1.00 0.00 N ATOM 185 CA TYR A 15 -1.138 -7.119 -1.782 1.00 0.00 C ATOM 186 C TYR A 15 -0.669 -5.986 -2.670 1.00 0.00 C ATOM 187 O TYR A 15 -0.137 -6.227 -3.750 1.00 0.00 O ATOM 188 CB TYR A 15 0.081 -7.902 -1.275 1.00 0.00 C ATOM 189 CG TYR A 15 -0.146 -8.702 -0.005 1.00 0.00 C ATOM 190 CD1 TYR A 15 -0.385 -8.071 1.205 1.00 0.00 C ATOM 191 CD2 TYR A 15 -0.098 -10.088 -0.017 1.00 0.00 C ATOM 192 CE1 TYR A 15 -0.573 -8.796 2.369 1.00 0.00 C ATOM 193 CE2 TYR A 15 -0.288 -10.822 1.139 1.00 0.00 C ATOM 194 CZ TYR A 15 -0.523 -10.172 2.331 1.00 0.00 C ATOM 195 OH TYR A 15 -0.703 -10.899 3.488 1.00 0.00 O ATOM 0 H TYR A 15 -1.579 -8.826 -2.894 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.681 -6.737 -0.917 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.407 -8.583 -2.061 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.897 -7.200 -1.102 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.425 -6.992 1.241 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.091 -10.604 -0.947 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.758 -8.285 3.302 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.252 -11.901 1.108 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.639 -11.856 3.286 1.00 0.00 H new ATOM 205 N LYS A 16 -0.888 -4.764 -2.242 1.00 0.00 N ATOM 206 CA LYS A 16 -0.490 -3.614 -3.028 1.00 0.00 C ATOM 207 C LYS A 16 0.509 -2.777 -2.240 1.00 0.00 C ATOM 208 O LYS A 16 0.436 -2.723 -1.012 1.00 0.00 O ATOM 209 CB LYS A 16 -1.721 -2.784 -3.416 1.00 0.00 C ATOM 210 CG LYS A 16 -2.878 -3.624 -3.948 1.00 0.00 C ATOM 211 CD LYS A 16 -4.048 -2.760 -4.394 1.00 0.00 C ATOM 212 CE LYS A 16 -5.010 -3.536 -5.287 1.00 0.00 C ATOM 213 NZ LYS A 16 -5.963 -4.367 -4.500 1.00 0.00 N ATOM 0 H LYS A 16 -1.339 -4.539 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.011 -3.952 -3.947 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.060 -2.223 -2.545 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.434 -2.055 -4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.532 -4.228 -4.787 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.211 -4.315 -3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.582 -2.389 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.674 -1.889 -4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.569 -2.837 -5.910 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.441 -4.178 -5.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.343 -5.124 -5.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.468 -4.787 -3.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.744 -3.771 -4.159 1.00 0.00 H new ATOM 227 N PRO A 17 1.482 -2.154 -2.926 1.00 0.00 N ATOM 228 CA PRO A 17 2.467 -1.289 -2.276 1.00 0.00 C ATOM 229 C PRO A 17 1.813 -0.052 -1.683 1.00 0.00 C ATOM 230 O PRO A 17 1.257 0.777 -2.405 1.00 0.00 O ATOM 231 CB PRO A 17 3.427 -0.903 -3.404 1.00 0.00 C ATOM 232 CG PRO A 17 2.650 -1.110 -4.657 1.00 0.00 C ATOM 233 CD PRO A 17 1.705 -2.249 -4.378 1.00 0.00 C ATOM 0 HA PRO A 17 2.967 -1.788 -1.446 1.00 0.00 H new ATOM 0 HB2 PRO A 17 3.753 0.133 -3.308 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.324 -1.522 -3.389 1.00 0.00 H new ATOM 0 HG2 PRO A 17 2.103 -0.208 -4.930 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.311 -1.347 -5.491 1.00 0.00 H new ATOM 0 HD2 PRO A 17 0.774 -2.146 -4.936 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.139 -3.209 -4.657 1.00 0.00 H new ATOM 241 N TYR A 18 1.869 0.060 -0.370 1.00 0.00 N ATOM 242 CA TYR A 18 1.217 1.152 0.323 1.00 0.00 C ATOM 243 C TYR A 18 2.199 1.890 1.221 1.00 0.00 C ATOM 244 O TYR A 18 2.995 1.277 1.936 1.00 0.00 O ATOM 245 CB TYR A 18 0.051 0.619 1.151 1.00 0.00 C ATOM 246 CG TYR A 18 -1.180 0.285 0.342 1.00 0.00 C ATOM 247 CD1 TYR A 18 -1.819 1.249 -0.427 1.00 0.00 C ATOM 248 CD2 TYR A 18 -1.705 -0.999 0.352 1.00 0.00 C ATOM 249 CE1 TYR A 18 -2.943 0.940 -1.166 1.00 0.00 C ATOM 250 CE2 TYR A 18 -2.828 -1.316 -0.382 1.00 0.00 C ATOM 251 CZ TYR A 18 -3.443 -0.345 -1.140 1.00 0.00 C ATOM 252 OH TYR A 18 -4.559 -0.662 -1.876 1.00 0.00 O ATOM 0 H TYR A 18 2.361 -0.594 0.239 1.00 0.00 H new ATOM 0 HA TYR A 18 0.840 1.854 -0.420 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.376 -0.275 1.683 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.213 1.360 1.905 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -1.430 2.256 -0.447 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.226 -1.764 0.945 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -3.428 1.700 -1.761 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.223 -2.321 -0.363 1.00 0.00 H new ATOM 0 HH TYR A 18 -4.443 -0.348 -2.797 1.00 0.00 H new ATOM 262 N CYS A 19 2.146 3.208 1.172 1.00 0.00 N ATOM 263 CA CYS A 19 2.962 4.037 2.038 1.00 0.00 C ATOM 264 C CYS A 19 2.102 4.604 3.156 1.00 0.00 C ATOM 265 O CYS A 19 1.555 5.700 3.041 1.00 0.00 O ATOM 266 CB CYS A 19 3.618 5.167 1.242 1.00 0.00 C ATOM 267 SG CYS A 19 5.399 5.375 1.572 1.00 0.00 S ATOM 0 H CYS A 19 1.542 3.730 0.537 1.00 0.00 H new ATOM 0 HA CYS A 19 3.754 3.426 2.470 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.477 4.977 0.178 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.106 6.102 1.470 1.00 0.00 H new ATOM 272 N CYS A 20 1.965 3.834 4.225 1.00 0.00 N ATOM 273 CA CYS A 20 1.133 4.216 5.354 1.00 0.00 C ATOM 274 C CYS A 20 1.719 5.414 6.089 1.00 0.00 C ATOM 275 O CYS A 20 2.820 5.339 6.644 1.00 0.00 O ATOM 276 CB CYS A 20 0.970 3.037 6.315 1.00 0.00 C ATOM 277 SG CYS A 20 -0.606 2.144 6.122 1.00 0.00 S ATOM 0 H CYS A 20 2.426 2.930 4.333 1.00 0.00 H new ATOM 0 HA CYS A 20 0.154 4.500 4.969 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.793 2.339 6.162 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.047 3.402 7.339 1.00 0.00 H new ATOM 282 N GLN A 21 0.980 6.514 6.085 1.00 0.00 N ATOM 283 CA GLN A 21 1.402 7.725 6.766 1.00 0.00 C ATOM 284 C GLN A 21 0.851 7.753 8.186 1.00 0.00 C ATOM 285 O GLN A 21 -0.361 7.852 8.392 1.00 0.00 O ATOM 286 CB GLN A 21 0.929 8.963 6.002 1.00 0.00 C ATOM 287 CG GLN A 21 1.768 9.282 4.773 1.00 0.00 C ATOM 288 CD GLN A 21 3.091 9.936 5.118 1.00 0.00 C ATOM 289 OE1 GLN A 21 3.662 9.697 6.182 1.00 0.00 O ATOM 290 NE2 GLN A 21 3.585 10.769 4.218 1.00 0.00 N ATOM 0 H GLN A 21 0.079 6.590 5.613 1.00 0.00 H new ATOM 0 HA GLN A 21 2.491 7.732 6.807 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.107 8.816 5.696 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.944 9.821 6.674 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.956 8.363 4.219 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.203 9.941 4.114 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.079 10.939 3.349 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.472 11.242 4.393 1.00 0.00 H new ATOM 299 N SER A 22 1.741 7.643 9.157 1.00 0.00 N ATOM 300 CA SER A 22 1.364 7.699 10.559 1.00 0.00 C ATOM 301 C SER A 22 1.751 9.051 11.145 1.00 0.00 C ATOM 302 O SER A 22 2.896 9.486 11.012 1.00 0.00 O ATOM 303 CB SER A 22 2.053 6.567 11.321 1.00 0.00 C ATOM 304 OG SER A 22 2.881 5.813 10.446 1.00 0.00 O ATOM 0 H SER A 22 2.740 7.513 8.997 1.00 0.00 H new ATOM 0 HA SER A 22 0.285 7.578 10.651 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.652 6.979 12.134 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.305 5.917 11.774 1.00 0.00 H new ATOM 0 HG SER A 22 3.317 5.093 10.948 1.00 0.00 H new ATOM 310 N MET A 23 0.800 9.712 11.787 1.00 0.00 N ATOM 311 CA MET A 23 1.030 11.055 12.306 1.00 0.00 C ATOM 312 C MET A 23 1.803 10.994 13.615 1.00 0.00 C ATOM 313 O MET A 23 2.861 11.610 13.754 1.00 0.00 O ATOM 314 CB MET A 23 -0.302 11.779 12.516 1.00 0.00 C ATOM 315 CG MET A 23 -1.148 11.889 11.257 1.00 0.00 C ATOM 316 SD MET A 23 -2.655 10.903 11.349 1.00 0.00 S ATOM 317 CE MET A 23 -2.578 10.015 9.794 1.00 0.00 C ATOM 0 H MET A 23 -0.135 9.344 11.962 1.00 0.00 H new ATOM 0 HA MET A 23 1.621 11.610 11.577 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.873 11.254 13.281 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.104 12.781 12.898 1.00 0.00 H new ATOM 0 HG2 MET A 23 -1.411 12.934 11.090 1.00 0.00 H new ATOM 0 HG3 MET A 23 -0.559 11.567 10.398 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.584 9.726 9.490 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.139 10.656 9.030 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.964 9.122 9.915 1.00 0.00 H new ATOM 327 N SER A 24 1.270 10.243 14.565 1.00 0.00 N ATOM 328 CA SER A 24 1.910 10.059 15.859 1.00 0.00 C ATOM 329 C SER A 24 1.362 8.805 16.532 1.00 0.00 C ATOM 330 O SER A 24 1.901 7.710 16.363 1.00 0.00 O ATOM 331 CB SER A 24 1.681 11.290 16.740 1.00 0.00 C ATOM 332 OG SER A 24 0.502 11.981 16.355 1.00 0.00 O ATOM 0 H SER A 24 0.385 9.745 14.463 1.00 0.00 H new ATOM 0 HA SER A 24 2.983 9.937 15.715 1.00 0.00 H new ATOM 0 HB2 SER A 24 1.603 10.985 17.784 1.00 0.00 H new ATOM 0 HB3 SER A 24 2.539 11.959 16.666 1.00 0.00 H new ATOM 0 HG SER A 24 0.377 12.762 16.934 1.00 0.00 H new ATOM 338 N GLY A 25 0.268 8.964 17.266 1.00 0.00 N ATOM 339 CA GLY A 25 -0.380 7.828 17.887 1.00 0.00 C ATOM 340 C GLY A 25 -1.464 7.258 16.996 1.00 0.00 C ATOM 341 O GLY A 25 -2.628 7.190 17.383 1.00 0.00 O ATOM 0 H GLY A 25 -0.182 9.862 17.442 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.360 7.057 18.102 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.812 8.130 18.841 1.00 0.00 H new ATOM 345 N SER A 26 -1.080 6.861 15.794 1.00 0.00 N ATOM 346 CA SER A 26 -2.027 6.353 14.817 1.00 0.00 C ATOM 347 C SER A 26 -2.134 4.833 14.889 1.00 0.00 C ATOM 348 O SER A 26 -1.157 4.119 14.655 1.00 0.00 O ATOM 349 CB SER A 26 -1.605 6.795 13.412 1.00 0.00 C ATOM 350 OG SER A 26 -1.280 8.177 13.395 1.00 0.00 O ATOM 0 H SER A 26 -0.113 6.881 15.471 1.00 0.00 H new ATOM 0 HA SER A 26 -3.011 6.764 15.043 1.00 0.00 H new ATOM 0 HB2 SER A 26 -0.745 6.210 13.085 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.412 6.598 12.706 1.00 0.00 H new ATOM 0 HG SER A 26 -1.833 8.635 12.728 1.00 0.00 H new ATOM 356 N ALA A 27 -3.317 4.347 15.235 1.00 0.00 N ATOM 357 CA ALA A 27 -3.581 2.920 15.243 1.00 0.00 C ATOM 358 C ALA A 27 -3.995 2.482 13.849 1.00 0.00 C ATOM 359 O ALA A 27 -3.400 1.580 13.261 1.00 0.00 O ATOM 360 CB ALA A 27 -4.665 2.581 16.257 1.00 0.00 C ATOM 0 H ALA A 27 -4.110 4.924 15.514 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.675 2.387 15.533 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.849 1.507 16.248 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.340 2.885 17.252 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.583 3.108 15.998 1.00 0.00 H new ATOM 366 N SER A 28 -5.016 3.141 13.322 1.00 0.00 N ATOM 367 CA SER A 28 -5.418 2.948 11.944 1.00 0.00 C ATOM 368 C SER A 28 -4.518 3.785 11.039 1.00 0.00 C ATOM 369 O SER A 28 -4.391 4.998 11.224 1.00 0.00 O ATOM 370 CB SER A 28 -6.885 3.338 11.773 1.00 0.00 C ATOM 371 OG SER A 28 -7.496 3.565 13.035 1.00 0.00 O ATOM 0 H SER A 28 -5.582 3.817 13.835 1.00 0.00 H new ATOM 0 HA SER A 28 -5.314 1.899 11.668 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.958 4.237 11.161 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.417 2.548 11.243 1.00 0.00 H new ATOM 0 HG SER A 28 -8.434 3.815 12.904 1.00 0.00 H new ATOM 377 N LEU A 29 -3.884 3.138 10.078 1.00 0.00 N ATOM 378 CA LEU A 29 -2.885 3.799 9.253 1.00 0.00 C ATOM 379 C LEU A 29 -3.428 4.117 7.864 1.00 0.00 C ATOM 380 O LEU A 29 -4.127 3.303 7.259 1.00 0.00 O ATOM 381 CB LEU A 29 -1.629 2.931 9.141 1.00 0.00 C ATOM 382 CG LEU A 29 -1.720 1.548 9.794 1.00 0.00 C ATOM 383 CD1 LEU A 29 -2.175 0.505 8.784 1.00 0.00 C ATOM 384 CD2 LEU A 29 -0.377 1.160 10.391 1.00 0.00 C ATOM 0 H LEU A 29 -4.042 2.157 9.848 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.627 4.741 9.736 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.393 2.800 8.085 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.795 3.471 9.589 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.459 1.592 10.594 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.233 -0.470 9.268 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.157 0.777 8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.461 0.459 7.961 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.455 0.175 10.852 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.377 1.134 9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.089 1.892 11.145 1.00 0.00 H new ATOM 396 N GLY A 30 -3.109 5.308 7.372 1.00 0.00 N ATOM 397 CA GLY A 30 -3.521 5.700 6.039 1.00 0.00 C ATOM 398 C GLY A 30 -2.498 5.292 4.999 1.00 0.00 C ATOM 399 O GLY A 30 -1.469 5.948 4.837 1.00 0.00 O ATOM 0 H GLY A 30 -2.570 6.012 7.876 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.482 5.242 5.805 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.666 6.780 6.005 1.00 0.00 H new ATOM 403 N CYS A 31 -2.770 4.202 4.308 1.00 0.00 N ATOM 404 CA CYS A 31 -1.851 3.662 3.325 1.00 0.00 C ATOM 405 C CYS A 31 -2.189 4.158 1.924 1.00 0.00 C ATOM 406 O CYS A 31 -3.130 3.678 1.294 1.00 0.00 O ATOM 407 CB CYS A 31 -1.898 2.136 3.371 1.00 0.00 C ATOM 408 SG CYS A 31 -0.498 1.368 4.255 1.00 0.00 S ATOM 0 H CYS A 31 -3.632 3.667 4.412 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.844 4.004 3.565 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.828 1.827 3.849 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.922 1.754 2.350 1.00 0.00 H new ATOM 413 N VAL A 32 -1.429 5.134 1.447 1.00 0.00 N ATOM 414 CA VAL A 32 -1.595 5.625 0.088 1.00 0.00 C ATOM 415 C VAL A 32 -0.836 4.730 -0.881 1.00 0.00 C ATOM 416 O VAL A 32 0.164 4.114 -0.506 1.00 0.00 O ATOM 417 CB VAL A 32 -1.113 7.085 -0.078 1.00 0.00 C ATOM 418 CG1 VAL A 32 -2.301 8.029 -0.183 1.00 0.00 C ATOM 419 CG2 VAL A 32 -0.200 7.501 1.069 1.00 0.00 C ATOM 0 H VAL A 32 -0.694 5.600 1.980 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.662 5.604 -0.132 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.537 7.144 -1.001 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.944 9.052 -0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.907 7.756 -1.047 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.905 7.956 0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.121 8.532 0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.741 7.420 2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.673 6.849 1.094 1.00 0.00 H new ATOM 429 N VAL A 33 -1.318 4.653 -2.116 1.00 0.00 N ATOM 430 CA VAL A 33 -0.720 3.784 -3.124 1.00 0.00 C ATOM 431 C VAL A 33 0.705 4.213 -3.438 1.00 0.00 C ATOM 432 O VAL A 33 0.978 5.403 -3.619 1.00 0.00 O ATOM 433 CB VAL A 33 -1.543 3.779 -4.431 1.00 0.00 C ATOM 434 CG1 VAL A 33 -0.982 2.768 -5.426 1.00 0.00 C ATOM 435 CG2 VAL A 33 -3.009 3.491 -4.140 1.00 0.00 C ATOM 0 H VAL A 33 -2.124 5.184 -2.445 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.713 2.777 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.470 4.769 -4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.580 2.784 -6.337 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.050 3.026 -5.664 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.015 1.770 -4.989 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.572 3.492 -5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.100 2.516 -3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.406 4.259 -3.476 1.00 0.00 H new ATOM 445 N GLY A 34 1.606 3.242 -3.480 1.00 0.00 N ATOM 446 CA GLY A 34 2.984 3.506 -3.830 1.00 0.00 C ATOM 447 C GLY A 34 3.121 4.041 -5.239 1.00 0.00 C ATOM 448 O GLY A 34 2.789 3.355 -6.207 1.00 0.00 O ATOM 0 H GLY A 34 1.402 2.264 -3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.405 4.225 -3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.564 2.588 -3.733 1.00 0.00 H new ATOM 452 N VAL A 35 3.610 5.264 -5.352 1.00 0.00 N ATOM 453 CA VAL A 35 3.764 5.908 -6.645 1.00 0.00 C ATOM 454 C VAL A 35 5.021 5.407 -7.345 1.00 0.00 C ATOM 455 O VAL A 35 6.119 5.457 -6.783 1.00 0.00 O ATOM 456 CB VAL A 35 3.836 7.446 -6.528 1.00 0.00 C ATOM 457 CG1 VAL A 35 3.124 8.103 -7.701 1.00 0.00 C ATOM 458 CG2 VAL A 35 3.246 7.926 -5.208 1.00 0.00 C ATOM 0 H VAL A 35 3.908 5.833 -4.560 1.00 0.00 H new ATOM 0 HA VAL A 35 2.881 5.650 -7.229 1.00 0.00 H new ATOM 0 HB VAL A 35 4.886 7.736 -6.551 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.184 9.187 -7.603 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.599 7.796 -8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.078 7.797 -7.709 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.311 9.013 -5.154 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.201 7.621 -5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.803 7.488 -4.380 1.00 0.00 H new ATOM 468 N ILE A 36 4.847 4.915 -8.563 1.00 0.00 N ATOM 469 CA ILE A 36 5.953 4.395 -9.356 1.00 0.00 C ATOM 470 C ILE A 36 6.924 5.511 -9.724 1.00 0.00 C ATOM 471 O ILE A 36 6.576 6.429 -10.471 1.00 0.00 O ATOM 472 CB ILE A 36 5.454 3.720 -10.651 1.00 0.00 C ATOM 473 CG1 ILE A 36 4.135 2.982 -10.401 1.00 0.00 C ATOM 474 CG2 ILE A 36 6.509 2.767 -11.195 1.00 0.00 C ATOM 475 CD1 ILE A 36 2.968 3.542 -11.184 1.00 0.00 C ATOM 0 H ILE A 36 3.941 4.865 -9.028 1.00 0.00 H new ATOM 0 HA ILE A 36 6.462 3.651 -8.744 1.00 0.00 H new ATOM 0 HB ILE A 36 5.274 4.495 -11.396 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.263 1.930 -10.658 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.901 3.024 -9.337 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.141 2.300 -12.108 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.422 3.321 -11.414 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.721 1.997 -10.453 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.069 2.970 -10.956 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.813 4.585 -10.910 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.180 3.475 -12.251 1.00 0.00 H new ATOM 487 N GLY A 37 8.135 5.430 -9.199 1.00 0.00 N ATOM 488 CA GLY A 37 9.115 6.465 -9.446 1.00 0.00 C ATOM 489 C GLY A 37 9.116 7.509 -8.351 1.00 0.00 C ATOM 490 O GLY A 37 9.452 8.669 -8.584 1.00 0.00 O ATOM 0 H GLY A 37 8.458 4.666 -8.606 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.106 6.017 -9.522 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.906 6.942 -10.403 1.00 0.00 H new ATOM 494 N SER A 38 8.697 7.104 -7.163 1.00 0.00 N ATOM 495 CA SER A 38 8.701 7.980 -6.005 1.00 0.00 C ATOM 496 C SER A 38 9.282 7.246 -4.802 1.00 0.00 C ATOM 497 O SER A 38 9.614 6.057 -4.890 1.00 0.00 O ATOM 498 CB SER A 38 7.284 8.473 -5.717 1.00 0.00 C ATOM 499 OG SER A 38 6.647 8.905 -6.912 1.00 0.00 O ATOM 0 H SER A 38 8.347 6.164 -6.976 1.00 0.00 H new ATOM 0 HA SER A 38 9.327 8.849 -6.210 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.702 7.674 -5.258 1.00 0.00 H new ATOM 0 HB3 SER A 38 7.318 9.294 -5.001 1.00 0.00 H new ATOM 0 HG SER A 38 5.917 9.520 -6.690 1.00 0.00 H new ATOM 505 N GLN A 39 9.408 7.945 -3.683 1.00 0.00 N ATOM 506 CA GLN A 39 10.057 7.384 -2.508 1.00 0.00 C ATOM 507 C GLN A 39 9.073 7.194 -1.358 1.00 0.00 C ATOM 508 O GLN A 39 8.257 8.072 -1.070 1.00 0.00 O ATOM 509 CB GLN A 39 11.204 8.289 -2.065 1.00 0.00 C ATOM 510 CG GLN A 39 12.020 8.849 -3.220 1.00 0.00 C ATOM 511 CD GLN A 39 13.333 8.118 -3.415 1.00 0.00 C ATOM 512 OE1 GLN A 39 14.398 8.643 -3.094 1.00 0.00 O ATOM 513 NE2 GLN A 39 13.267 6.906 -3.946 1.00 0.00 N ATOM 0 H GLN A 39 9.070 8.900 -3.565 1.00 0.00 H new ATOM 0 HA GLN A 39 10.447 6.403 -2.780 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.798 9.117 -1.483 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.864 7.727 -1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 39 11.434 8.787 -4.137 1.00 0.00 H new ATOM 0 HG3 GLN A 39 12.220 9.905 -3.040 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.362 6.508 -4.198 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.121 6.371 -4.103 1.00 0.00 H new ATOM 522 N CYS A 40 9.154 6.038 -0.711 1.00 0.00 N ATOM 523 CA CYS A 40 8.343 5.754 0.466 1.00 0.00 C ATOM 524 C CYS A 40 9.078 6.216 1.720 1.00 0.00 C ATOM 525 O CYS A 40 9.964 5.522 2.219 1.00 0.00 O ATOM 526 CB CYS A 40 8.042 4.254 0.556 1.00 0.00 C ATOM 527 SG CYS A 40 6.266 3.839 0.566 1.00 0.00 S ATOM 0 H CYS A 40 9.777 5.278 -0.984 1.00 0.00 H new ATOM 0 HA CYS A 40 7.399 6.293 0.384 1.00 0.00 H new ATOM 0 HB2 CYS A 40 8.515 3.750 -0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.500 3.858 1.462 1.00 0.00 H new ATOM 532 N GLY A 41 8.715 7.390 2.216 1.00 0.00 N ATOM 533 CA GLY A 41 9.400 7.953 3.363 1.00 0.00 C ATOM 534 C GLY A 41 8.624 7.781 4.653 1.00 0.00 C ATOM 535 O GLY A 41 8.943 8.411 5.662 1.00 0.00 O ATOM 0 H GLY A 41 7.958 7.964 1.845 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.376 7.479 3.466 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.577 9.014 3.190 1.00 0.00 H new ATOM 539 N ALA A 42 7.602 6.936 4.628 1.00 0.00 N ATOM 540 CA ALA A 42 6.797 6.690 5.814 1.00 0.00 C ATOM 541 C ALA A 42 6.960 5.246 6.275 1.00 0.00 C ATOM 542 O ALA A 42 8.006 4.868 6.803 1.00 0.00 O ATOM 543 CB ALA A 42 5.337 7.014 5.538 1.00 0.00 C ATOM 0 H ALA A 42 7.313 6.412 3.802 1.00 0.00 H new ATOM 0 HA ALA A 42 7.143 7.342 6.616 1.00 0.00 H new ATOM 0 HB1 ALA A 42 4.747 6.825 6.435 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.244 8.063 5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.973 6.387 4.725 1.00 0.00 H new ATOM 549 N SER A 43 5.929 4.443 6.069 1.00 0.00 N ATOM 550 CA SER A 43 5.984 3.032 6.400 1.00 0.00 C ATOM 551 C SER A 43 5.665 2.198 5.162 1.00 0.00 C ATOM 552 O SER A 43 4.575 2.314 4.594 1.00 0.00 O ATOM 553 CB SER A 43 4.996 2.710 7.526 1.00 0.00 C ATOM 554 OG SER A 43 4.689 3.868 8.292 1.00 0.00 O ATOM 0 H SER A 43 5.040 4.748 5.672 1.00 0.00 H new ATOM 0 HA SER A 43 6.989 2.788 6.743 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.080 2.299 7.102 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.419 1.944 8.175 1.00 0.00 H new ATOM 0 HG SER A 43 4.043 4.420 7.805 1.00 0.00 H new ATOM 560 N VAL A 44 6.617 1.374 4.741 1.00 0.00 N ATOM 561 CA VAL A 44 6.432 0.526 3.570 1.00 0.00 C ATOM 562 C VAL A 44 5.598 -0.690 3.943 1.00 0.00 C ATOM 563 O VAL A 44 6.095 -1.638 4.557 1.00 0.00 O ATOM 564 CB VAL A 44 7.780 0.062 2.977 1.00 0.00 C ATOM 565 CG1 VAL A 44 7.567 -0.660 1.655 1.00 0.00 C ATOM 566 CG2 VAL A 44 8.717 1.246 2.792 1.00 0.00 C ATOM 0 H VAL A 44 7.526 1.275 5.194 1.00 0.00 H new ATOM 0 HA VAL A 44 5.917 1.117 2.812 1.00 0.00 H new ATOM 0 HB VAL A 44 8.239 -0.636 3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.530 -0.978 1.255 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.934 -1.533 1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.084 0.013 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.662 0.900 2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.262 1.968 2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 44 8.899 1.720 3.757 1.00 0.00 H new ATOM 576 N LYS A 45 4.325 -0.646 3.594 1.00 0.00 N ATOM 577 CA LYS A 45 3.406 -1.702 3.957 1.00 0.00 C ATOM 578 C LYS A 45 2.821 -2.381 2.727 1.00 0.00 C ATOM 579 O LYS A 45 2.076 -1.773 1.965 1.00 0.00 O ATOM 580 CB LYS A 45 2.278 -1.139 4.821 1.00 0.00 C ATOM 581 CG LYS A 45 2.571 -1.158 6.314 1.00 0.00 C ATOM 582 CD LYS A 45 3.412 -2.361 6.699 1.00 0.00 C ATOM 583 CE LYS A 45 4.531 -1.969 7.645 1.00 0.00 C ATOM 584 NZ LYS A 45 5.855 -2.464 7.184 1.00 0.00 N ATOM 0 H LYS A 45 3.906 0.114 3.058 1.00 0.00 H new ATOM 0 HA LYS A 45 3.963 -2.449 4.522 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.077 -0.113 4.514 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.370 -1.712 4.632 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.092 -0.243 6.595 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.634 -1.175 6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.780 -3.113 7.171 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.833 -2.815 5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.563 -0.883 7.737 1.00 0.00 H new ATOM 0 HE3 LYS A 45 4.322 -2.367 8.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.599 -2.102 7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.862 -3.504 7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.031 -2.133 6.214 1.00 0.00 H new ATOM 598 N CYS A 46 3.183 -3.636 2.529 1.00 0.00 N ATOM 599 CA CYS A 46 2.527 -4.465 1.533 1.00 0.00 C ATOM 600 C CYS A 46 1.240 -5.009 2.133 1.00 0.00 C ATOM 601 O CYS A 46 1.250 -6.025 2.823 1.00 0.00 O ATOM 602 CB CYS A 46 3.435 -5.618 1.096 1.00 0.00 C ATOM 603 SG CYS A 46 4.736 -5.142 -0.092 1.00 0.00 S ATOM 0 H CYS A 46 3.928 -4.104 3.045 1.00 0.00 H new ATOM 0 HA CYS A 46 2.307 -3.865 0.650 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.906 -6.049 1.980 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.820 -6.400 0.650 1.00 0.00 H new ATOM 608 N CYS A 47 0.145 -4.314 1.903 1.00 0.00 N ATOM 609 CA CYS A 47 -1.122 -4.677 2.513 1.00 0.00 C ATOM 610 C CYS A 47 -2.071 -5.246 1.480 1.00 0.00 C ATOM 611 O CYS A 47 -2.068 -4.825 0.320 1.00 0.00 O ATOM 612 CB CYS A 47 -1.763 -3.461 3.179 1.00 0.00 C ATOM 613 SG CYS A 47 -0.668 -2.575 4.336 1.00 0.00 S ATOM 0 H CYS A 47 0.105 -3.494 1.298 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.924 -5.437 3.269 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -2.091 -2.768 2.404 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.655 -3.784 3.716 1.00 0.00 H new ATOM 618 N LYS A 48 -2.870 -6.217 1.893 1.00 0.00 N ATOM 619 CA LYS A 48 -3.875 -6.774 1.016 1.00 0.00 C ATOM 620 C LYS A 48 -5.107 -5.890 1.054 1.00 0.00 C ATOM 621 O LYS A 48 -5.656 -5.607 2.122 1.00 0.00 O ATOM 622 CB LYS A 48 -4.218 -8.218 1.396 1.00 0.00 C ATOM 623 CG LYS A 48 -4.521 -8.428 2.873 1.00 0.00 C ATOM 624 CD LYS A 48 -4.991 -9.851 3.143 1.00 0.00 C ATOM 625 CE LYS A 48 -6.244 -10.192 2.351 1.00 0.00 C ATOM 626 NZ LYS A 48 -5.968 -11.177 1.273 1.00 0.00 N ATOM 0 H LYS A 48 -2.839 -6.630 2.825 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.481 -6.804 -0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.081 -8.539 0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.385 -8.862 1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.629 -8.219 3.463 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.287 -7.722 3.193 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.196 -10.551 2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.190 -9.972 4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.001 -10.594 3.025 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.656 -9.282 1.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.541 -10.946 0.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -4.959 -11.143 1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.210 -12.132 1.605 1.00 0.00 H new ATOM 640 N ASP A 49 -5.510 -5.428 -0.111 1.00 0.00 N ATOM 641 CA ASP A 49 -6.601 -4.479 -0.223 1.00 0.00 C ATOM 642 C ASP A 49 -7.943 -5.184 -0.050 1.00 0.00 C ATOM 643 O ASP A 49 -8.555 -5.649 -1.012 1.00 0.00 O ATOM 644 CB ASP A 49 -6.504 -3.761 -1.570 1.00 0.00 C ATOM 645 CG ASP A 49 -7.740 -2.971 -1.942 1.00 0.00 C ATOM 646 OD1 ASP A 49 -8.412 -2.428 -1.041 1.00 0.00 O ATOM 647 OD2 ASP A 49 -8.029 -2.882 -3.156 1.00 0.00 O ATOM 0 H ASP A 49 -5.094 -5.697 -1.003 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.528 -3.735 0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.648 -3.086 -1.549 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.310 -4.498 -2.349 1.00 0.00 H new ATOM 652 N ASP A 50 -8.357 -5.302 1.205 1.00 0.00 N ATOM 653 CA ASP A 50 -9.639 -5.907 1.550 1.00 0.00 C ATOM 654 C ASP A 50 -10.561 -4.856 2.154 1.00 0.00 C ATOM 655 O ASP A 50 -11.668 -5.152 2.600 1.00 0.00 O ATOM 656 CB ASP A 50 -9.433 -7.051 2.548 1.00 0.00 C ATOM 657 CG ASP A 50 -10.194 -8.305 2.170 1.00 0.00 C ATOM 658 OD1 ASP A 50 -9.786 -8.982 1.206 1.00 0.00 O ATOM 659 OD2 ASP A 50 -11.188 -8.637 2.850 1.00 0.00 O ATOM 0 H ASP A 50 -7.817 -4.983 2.010 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.094 -6.307 0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.370 -7.283 2.613 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.750 -6.724 3.538 1.00 0.00 H new ATOM 664 N VAL A 51 -10.091 -3.616 2.145 1.00 0.00 N ATOM 665 CA VAL A 51 -10.815 -2.510 2.750 1.00 0.00 C ATOM 666 C VAL A 51 -11.320 -1.552 1.664 1.00 0.00 C ATOM 667 O VAL A 51 -11.534 -0.354 1.891 1.00 0.00 O ATOM 668 CB VAL A 51 -9.926 -1.774 3.787 1.00 0.00 C ATOM 669 CG1 VAL A 51 -8.846 -0.944 3.108 1.00 0.00 C ATOM 670 CG2 VAL A 51 -10.772 -0.915 4.717 1.00 0.00 C ATOM 0 H VAL A 51 -9.202 -3.351 1.720 1.00 0.00 H new ATOM 0 HA VAL A 51 -11.681 -2.905 3.282 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.426 -2.533 4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.243 -0.443 3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.209 -1.595 2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.312 -0.199 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.125 -0.410 5.434 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -11.315 -0.173 4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.482 -1.547 5.251 1.00 0.00 H new ATOM 680 N THR A 52 -11.546 -2.109 0.482 1.00 0.00 N ATOM 681 CA THR A 52 -12.014 -1.348 -0.671 1.00 0.00 C ATOM 682 C THR A 52 -13.500 -0.992 -0.557 1.00 0.00 C ATOM 683 O THR A 52 -14.257 -1.087 -1.525 1.00 0.00 O ATOM 684 CB THR A 52 -11.779 -2.151 -1.959 1.00 0.00 C ATOM 685 OG1 THR A 52 -10.954 -3.290 -1.667 1.00 0.00 O ATOM 686 CG2 THR A 52 -11.116 -1.289 -3.021 1.00 0.00 C ATOM 0 H THR A 52 -11.410 -3.102 0.294 1.00 0.00 H new ATOM 0 HA THR A 52 -11.446 -0.418 -0.701 1.00 0.00 H new ATOM 0 HB THR A 52 -12.742 -2.485 -2.345 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.082 -2.987 -1.337 1.00 0.00 H new ATOM 0 HG21 THR A 52 -10.960 -1.880 -3.924 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.757 -0.438 -3.251 1.00 0.00 H new ATOM 0 HG23 THR A 52 -10.155 -0.931 -2.651 1.00 0.00 H new ATOM 694 N ASN A 53 -13.909 -0.578 0.632 1.00 0.00 N ATOM 695 CA ASN A 53 -15.282 -0.162 0.871 1.00 0.00 C ATOM 696 C ASN A 53 -15.355 1.357 0.904 1.00 0.00 C ATOM 697 O ASN A 53 -16.422 1.948 0.733 1.00 0.00 O ATOM 698 CB ASN A 53 -15.797 -0.753 2.184 1.00 0.00 C ATOM 699 CG ASN A 53 -17.285 -1.040 2.152 1.00 0.00 C ATOM 700 OD1 ASN A 53 -18.076 -0.348 2.790 1.00 0.00 O ATOM 701 ND2 ASN A 53 -17.678 -2.065 1.410 1.00 0.00 N ATOM 0 H ASN A 53 -13.305 -0.521 1.452 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.914 -0.530 0.063 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.258 -1.676 2.399 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.582 -0.061 2.998 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.668 -2.304 1.354 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.991 -2.615 0.895 1.00 0.00 H new ATOM 708 N THR A 54 -14.205 1.979 1.125 1.00 0.00 N ATOM 709 CA THR A 54 -14.093 3.427 1.098 1.00 0.00 C ATOM 710 C THR A 54 -14.091 3.933 -0.341 1.00 0.00 C ATOM 711 O THR A 54 -13.210 3.579 -1.128 1.00 0.00 O ATOM 712 CB THR A 54 -12.802 3.887 1.802 1.00 0.00 C ATOM 713 OG1 THR A 54 -12.343 2.860 2.696 1.00 0.00 O ATOM 714 CG2 THR A 54 -13.032 5.176 2.574 1.00 0.00 C ATOM 0 H THR A 54 -13.330 1.496 1.327 1.00 0.00 H new ATOM 0 HA THR A 54 -14.953 3.840 1.626 1.00 0.00 H new ATOM 0 HB THR A 54 -12.045 4.074 1.041 1.00 0.00 H new ATOM 0 HG1 THR A 54 -11.521 3.156 3.140 1.00 0.00 H new ATOM 0 HG21 THR A 54 -12.105 5.479 3.061 1.00 0.00 H new ATOM 0 HG22 THR A 54 -13.353 5.959 1.887 1.00 0.00 H new ATOM 0 HG23 THR A 54 -13.803 5.016 3.328 1.00 0.00 H new ATOM 722 N GLY A 55 -15.073 4.758 -0.685 1.00 0.00 N ATOM 723 CA GLY A 55 -15.187 5.253 -2.046 1.00 0.00 C ATOM 724 C GLY A 55 -14.303 6.457 -2.308 1.00 0.00 C ATOM 725 O GLY A 55 -14.783 7.499 -2.754 1.00 0.00 O ATOM 0 H GLY A 55 -15.793 5.094 -0.046 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.923 4.456 -2.741 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.225 5.519 -2.245 1.00 0.00 H new ATOM 729 N ASN A 56 -13.016 6.314 -2.025 1.00 0.00 N ATOM 730 CA ASN A 56 -12.041 7.372 -2.262 1.00 0.00 C ATOM 731 C ASN A 56 -10.629 6.824 -2.082 1.00 0.00 C ATOM 732 O ASN A 56 -10.455 5.697 -1.620 1.00 0.00 O ATOM 733 CB ASN A 56 -12.280 8.576 -1.333 1.00 0.00 C ATOM 734 CG ASN A 56 -12.219 8.229 0.143 1.00 0.00 C ATOM 735 OD1 ASN A 56 -11.157 7.935 0.684 1.00 0.00 O ATOM 736 ND2 ASN A 56 -13.358 8.283 0.811 1.00 0.00 N ATOM 0 H ASN A 56 -12.618 5.464 -1.626 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.159 7.723 -3.287 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.536 9.343 -1.548 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.256 9.007 -1.556 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.374 8.077 1.810 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.221 8.531 0.328 1.00 0.00 H new ATOM 743 N SER A 57 -9.628 7.619 -2.440 1.00 0.00 N ATOM 744 CA SER A 57 -8.240 7.165 -2.412 1.00 0.00 C ATOM 745 C SER A 57 -7.632 7.245 -1.008 1.00 0.00 C ATOM 746 O SER A 57 -6.429 7.046 -0.831 1.00 0.00 O ATOM 747 CB SER A 57 -7.411 7.991 -3.397 1.00 0.00 C ATOM 748 OG SER A 57 -8.240 8.550 -4.406 1.00 0.00 O ATOM 0 H SER A 57 -9.750 8.582 -2.753 1.00 0.00 H new ATOM 0 HA SER A 57 -8.227 6.116 -2.706 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.891 8.787 -2.864 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.647 7.362 -3.854 1.00 0.00 H new ATOM 0 HG SER A 57 -7.692 9.076 -5.025 1.00 0.00 H new ATOM 754 N GLY A 58 -8.461 7.528 -0.012 1.00 0.00 N ATOM 755 CA GLY A 58 -7.994 7.560 1.358 1.00 0.00 C ATOM 756 C GLY A 58 -8.071 6.190 1.995 1.00 0.00 C ATOM 757 O GLY A 58 -8.920 5.944 2.856 1.00 0.00 O ATOM 0 H GLY A 58 -9.452 7.737 -0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.965 7.919 1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.594 8.265 1.933 1.00 0.00 H new ATOM 761 N LEU A 59 -7.189 5.297 1.562 1.00 0.00 N ATOM 762 CA LEU A 59 -7.214 3.912 1.997 1.00 0.00 C ATOM 763 C LEU A 59 -6.620 3.750 3.389 1.00 0.00 C ATOM 764 O LEU A 59 -5.457 3.373 3.551 1.00 0.00 O ATOM 765 CB LEU A 59 -6.463 3.040 0.992 1.00 0.00 C ATOM 766 CG LEU A 59 -7.274 1.888 0.398 1.00 0.00 C ATOM 767 CD1 LEU A 59 -8.737 2.268 0.247 1.00 0.00 C ATOM 768 CD2 LEU A 59 -6.698 1.468 -0.942 1.00 0.00 C ATOM 0 H LEU A 59 -6.441 5.514 0.903 1.00 0.00 H new ATOM 0 HA LEU A 59 -8.255 3.592 2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.110 3.673 0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.580 2.628 1.481 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.212 1.045 1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -9.289 1.429 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.151 2.517 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.823 3.131 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -7.288 0.647 -1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.726 2.312 -1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.666 1.142 -0.809 1.00 0.00 H new ATOM 780 N ILE A 60 -7.427 4.045 4.392 1.00 0.00 N ATOM 781 CA ILE A 60 -7.038 3.826 5.770 1.00 0.00 C ATOM 782 C ILE A 60 -7.287 2.363 6.139 1.00 0.00 C ATOM 783 O ILE A 60 -8.417 1.876 6.096 1.00 0.00 O ATOM 784 CB ILE A 60 -7.794 4.776 6.732 1.00 0.00 C ATOM 785 CG1 ILE A 60 -7.481 4.438 8.189 1.00 0.00 C ATOM 786 CG2 ILE A 60 -9.293 4.734 6.477 1.00 0.00 C ATOM 787 CD1 ILE A 60 -7.097 5.651 9.011 1.00 0.00 C ATOM 0 H ILE A 60 -8.361 4.439 4.275 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.976 4.048 5.873 1.00 0.00 H new ATOM 0 HB ILE A 60 -7.449 5.792 6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.351 3.961 8.640 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.668 3.713 8.221 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -9.798 5.410 7.166 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.496 5.042 5.452 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -9.660 3.719 6.630 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.887 5.344 10.036 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -6.209 6.115 8.582 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -7.918 6.368 9.008 1.00 0.00 H new ATOM 799 N ILE A 61 -6.221 1.656 6.466 1.00 0.00 N ATOM 800 CA ILE A 61 -6.308 0.226 6.710 1.00 0.00 C ATOM 801 C ILE A 61 -6.321 -0.073 8.206 1.00 0.00 C ATOM 802 O ILE A 61 -5.711 0.644 9.000 1.00 0.00 O ATOM 803 CB ILE A 61 -5.147 -0.530 6.019 1.00 0.00 C ATOM 804 CG1 ILE A 61 -5.046 -0.097 4.553 1.00 0.00 C ATOM 805 CG2 ILE A 61 -5.346 -2.039 6.114 1.00 0.00 C ATOM 806 CD1 ILE A 61 -3.884 -0.717 3.807 1.00 0.00 C ATOM 0 H ILE A 61 -5.285 2.047 6.569 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.246 -0.125 6.281 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.217 -0.281 6.531 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.973 -0.358 4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.954 0.988 4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.517 -2.547 5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.382 -2.336 7.162 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.281 -2.314 5.627 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.881 -0.361 2.777 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.949 -0.435 4.291 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.984 -1.802 3.815 1.00 0.00 H new ATOM 818 N ASN A 62 -7.014 -1.145 8.576 1.00 0.00 N ATOM 819 CA ASN A 62 -7.190 -1.523 9.977 1.00 0.00 C ATOM 820 C ASN A 62 -5.955 -2.246 10.527 1.00 0.00 C ATOM 821 O ASN A 62 -6.042 -2.957 11.529 1.00 0.00 O ATOM 822 CB ASN A 62 -8.427 -2.416 10.119 1.00 0.00 C ATOM 823 CG ASN A 62 -8.942 -2.488 11.543 1.00 0.00 C ATOM 824 OD1 ASN A 62 -8.874 -1.515 12.296 1.00 0.00 O ATOM 825 ND2 ASN A 62 -9.465 -3.644 11.920 1.00 0.00 N ATOM 0 H ASN A 62 -7.469 -1.776 7.916 1.00 0.00 H new ATOM 0 HA ASN A 62 -7.326 -0.611 10.558 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -9.218 -2.039 9.471 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.185 -3.421 9.774 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.831 -3.754 12.866 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -9.502 -4.425 11.265 1.00 0.00 H new ATOM 832 N ALA A 63 -4.818 -2.071 9.844 1.00 0.00 N ATOM 833 CA ALA A 63 -3.518 -2.619 10.269 1.00 0.00 C ATOM 834 C ALA A 63 -3.435 -4.142 10.119 1.00 0.00 C ATOM 835 O ALA A 63 -2.423 -4.664 9.656 1.00 0.00 O ATOM 836 CB ALA A 63 -3.185 -2.201 11.699 1.00 0.00 C ATOM 0 H ALA A 63 -4.770 -1.541 8.974 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.773 -2.194 9.597 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.220 -2.620 11.985 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.141 -1.114 11.759 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.956 -2.571 12.375 1.00 0.00 H new ATOM 842 N ALA A 64 -4.495 -4.844 10.504 1.00 0.00 N ATOM 843 CA ALA A 64 -4.528 -6.303 10.460 1.00 0.00 C ATOM 844 C ALA A 64 -4.240 -6.842 9.061 1.00 0.00 C ATOM 845 O ALA A 64 -3.549 -7.844 8.907 1.00 0.00 O ATOM 846 CB ALA A 64 -5.874 -6.809 10.951 1.00 0.00 C ATOM 0 H ALA A 64 -5.354 -4.420 10.855 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.740 -6.669 11.118 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.889 -7.898 10.914 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.035 -6.478 11.977 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.666 -6.414 10.314 1.00 0.00 H new ATOM 852 N ASN A 65 -4.749 -6.160 8.044 1.00 0.00 N ATOM 853 CA ASN A 65 -4.578 -6.608 6.663 1.00 0.00 C ATOM 854 C ASN A 65 -3.245 -6.141 6.086 1.00 0.00 C ATOM 855 O ASN A 65 -3.070 -6.083 4.868 1.00 0.00 O ATOM 856 CB ASN A 65 -5.725 -6.095 5.791 1.00 0.00 C ATOM 857 CG ASN A 65 -6.905 -7.049 5.734 1.00 0.00 C ATOM 858 OD1 ASN A 65 -8.024 -6.638 5.436 1.00 0.00 O ATOM 859 ND2 ASN A 65 -6.671 -8.320 6.017 1.00 0.00 N ATOM 0 H ASN A 65 -5.283 -5.297 8.146 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.586 -7.698 6.667 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.062 -5.132 6.175 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.356 -5.923 4.780 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.434 -8.997 5.992 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.728 -8.623 6.260 1.00 0.00 H new ATOM 866 N CYS A 66 -2.307 -5.816 6.959 1.00 0.00 N ATOM 867 CA CYS A 66 -1.006 -5.334 6.537 1.00 0.00 C ATOM 868 C CYS A 66 0.092 -6.254 7.047 1.00 0.00 C ATOM 869 O CYS A 66 -0.144 -7.095 7.916 1.00 0.00 O ATOM 870 CB CYS A 66 -0.780 -3.911 7.051 1.00 0.00 C ATOM 871 SG CYS A 66 -1.667 -2.633 6.103 1.00 0.00 S ATOM 0 H CYS A 66 -2.425 -5.878 7.970 1.00 0.00 H new ATOM 0 HA CYS A 66 -0.975 -5.326 5.447 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.093 -3.858 8.094 1.00 0.00 H new ATOM 0 HB3 CYS A 66 0.287 -3.692 7.027 1.00 0.00 H new ATOM 876 N VAL A 67 1.283 -6.103 6.490 1.00 0.00 N ATOM 877 CA VAL A 67 2.434 -6.884 6.921 1.00 0.00 C ATOM 878 C VAL A 67 3.216 -6.133 7.992 1.00 0.00 C ATOM 879 O VAL A 67 2.891 -4.990 8.322 1.00 0.00 O ATOM 880 CB VAL A 67 3.376 -7.210 5.741 1.00 0.00 C ATOM 881 CG1 VAL A 67 2.714 -8.192 4.783 1.00 0.00 C ATOM 882 CG2 VAL A 67 3.798 -5.936 5.018 1.00 0.00 C ATOM 0 H VAL A 67 1.479 -5.445 5.736 1.00 0.00 H new ATOM 0 HA VAL A 67 2.053 -7.820 7.330 1.00 0.00 H new ATOM 0 HB VAL A 67 4.275 -7.681 6.138 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.393 -8.409 3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.479 -9.115 5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.795 -7.755 4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.461 -6.190 4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.915 -5.427 4.632 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.320 -5.279 5.713 1.00 0.00 H new ATOM 892 N ALA A 68 4.241 -6.777 8.530 1.00 0.00 N ATOM 893 CA ALA A 68 5.084 -6.160 9.544 1.00 0.00 C ATOM 894 C ALA A 68 6.226 -5.383 8.897 1.00 0.00 C ATOM 895 O ALA A 68 7.229 -5.109 9.586 1.00 0.00 O ATOM 896 CB ALA A 68 5.632 -7.217 10.491 1.00 0.00 C ATOM 897 OXT ALA A 68 6.123 -5.054 7.695 1.00 0.00 O ATOM 0 H ALA A 68 4.510 -7.729 8.281 1.00 0.00 H new ATOM 0 HA ALA A 68 4.475 -5.460 10.116 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.260 -6.741 11.244 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.805 -7.730 10.981 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.224 -7.938 9.928 1.00 0.00 H new TER 903 ALA A 68