USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 482 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 2 LYS NZ :NH3+ 172:sc= 0.416 (180deg=0) USER MOD Set 1.2: A 13 THR OG1 : rot -159:sc= 0.403 USER MOD Single : A 1 LEU N :NH3+ -141:sc= 1.37 (180deg=0.236) USER MOD Single : A 4 ASN : amide:sc= 0.309 K(o=0.31,f=-3.6!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 39:sc= 0.62 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 135:sc= 0.595 (180deg=0.208) USER MOD Single : A 19 ASN : amide:sc= 0.14 K(o=0.14,f=-1.3) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.00786 USER MOD Single : A 60 ASN : amide:sc= 0.897 K(o=0.9,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 0.843 10.797 0.355 1.00 2.00 N ATOM 2 CA LEU A 1 -0.001 11.619 -0.553 1.00 2.00 C ATOM 3 C LEU A 1 -1.513 11.192 -0.586 1.00 2.00 C ATOM 4 O LEU A 1 -1.948 10.416 0.275 1.00 2.00 O ATOM 5 CB LEU A 1 0.757 11.796 -1.902 1.00 2.00 C ATOM 6 CG LEU A 1 1.224 10.560 -2.712 1.00 2.00 C ATOM 7 CD1 LEU A 1 0.123 9.533 -2.971 1.00 2.00 C ATOM 8 CD2 LEU A 1 1.815 11.018 -4.055 1.00 2.00 C ATOM 0 H1 LEU A 1 1.530 11.409 0.840 1.00 2.00 H new ATOM 0 H2 LEU A 1 0.239 10.328 1.060 1.00 2.00 H new ATOM 0 H3 LEU A 1 1.351 10.078 -0.199 1.00 2.00 H new ATOM 0 HA LEU A 1 -0.131 12.627 -0.160 1.00 2.00 H new ATOM 0 HB2 LEU A 1 0.115 12.385 -2.557 1.00 2.00 H new ATOM 0 HB3 LEU A 1 1.642 12.399 -1.697 1.00 2.00 H new ATOM 0 HG LEU A 1 1.975 10.062 -2.099 1.00 2.00 H new ATOM 0 HD11 LEU A 1 0.530 8.699 -3.543 1.00 2.00 H new ATOM 0 HD12 LEU A 1 -0.263 9.166 -2.020 1.00 2.00 H new ATOM 0 HD13 LEU A 1 -0.685 10.000 -3.535 1.00 2.00 H new ATOM 0 HD21 LEU A 1 2.143 10.148 -4.624 1.00 2.00 H new ATOM 0 HD22 LEU A 1 1.056 11.557 -4.622 1.00 2.00 H new ATOM 0 HD23 LEU A 1 2.666 11.674 -3.873 1.00 2.00 H new ATOM 22 N LYS A 2 -2.342 11.746 -1.499 1.00 2.00 N ATOM 23 CA LYS A 2 -3.789 11.387 -1.595 1.00 2.00 C ATOM 24 C LYS A 2 -3.956 9.937 -2.154 1.00 2.00 C ATOM 25 O LYS A 2 -3.363 9.585 -3.172 1.00 2.00 O ATOM 26 CB LYS A 2 -4.557 12.431 -2.456 1.00 2.00 C ATOM 27 CG LYS A 2 -5.282 13.508 -1.627 1.00 2.00 C ATOM 28 CD LYS A 2 -5.961 14.584 -2.502 1.00 2.00 C ATOM 29 CE LYS A 2 -7.001 15.439 -1.758 1.00 2.00 C ATOM 30 NZ LYS A 2 -6.376 16.307 -0.741 1.00 2.00 N ATOM 0 H LYS A 2 -2.042 12.442 -2.181 1.00 2.00 H new ATOM 0 HA LYS A 2 -4.224 11.406 -0.596 1.00 2.00 H new ATOM 0 HB2 LYS A 2 -3.854 12.918 -3.132 1.00 2.00 H new ATOM 0 HB3 LYS A 2 -5.287 11.910 -3.076 1.00 2.00 H new ATOM 0 HG2 LYS A 2 -6.034 13.031 -0.998 1.00 2.00 H new ATOM 0 HG3 LYS A 2 -4.567 13.988 -0.959 1.00 2.00 H new ATOM 0 HD2 LYS A 2 -5.193 15.241 -2.911 1.00 2.00 H new ATOM 0 HD3 LYS A 2 -6.446 14.096 -3.347 1.00 2.00 H new ATOM 0 HE2 LYS A 2 -7.545 16.054 -2.475 1.00 2.00 H new ATOM 0 HE3 LYS A 2 -7.731 14.787 -1.279 1.00 2.00 H new ATOM 0 HZ1 LYS A 2 -7.088 16.961 -0.358 1.00 2.00 H new ATOM 0 HZ2 LYS A 2 -5.995 15.721 0.029 1.00 2.00 H new ATOM 0 HZ3 LYS A 2 -5.604 16.851 -1.176 1.00 2.00 H new ATOM 43 N CYS A 3 -4.727 9.084 -1.481 1.00 2.00 N ATOM 44 CA CYS A 3 -4.959 7.682 -1.909 1.00 2.00 C ATOM 45 C CYS A 3 -6.449 7.226 -1.757 1.00 2.00 C ATOM 46 O CYS A 3 -7.341 7.984 -1.355 1.00 2.00 O ATOM 47 CB CYS A 3 -3.950 6.844 -1.074 1.00 2.00 C ATOM 48 SG CYS A 3 -2.231 7.264 -1.433 1.00 2.00 S ATOM 0 H CYS A 3 -5.215 9.334 -0.621 1.00 2.00 H new ATOM 0 HA CYS A 3 -4.789 7.549 -2.978 1.00 2.00 H new ATOM 0 HB2 CYS A 3 -4.144 7.001 -0.013 1.00 2.00 H new ATOM 0 HB3 CYS A 3 -4.110 5.785 -1.274 1.00 2.00 H new ATOM 53 N ASN A 4 -6.697 5.948 -2.061 1.00 2.00 N ATOM 54 CA ASN A 4 -8.038 5.334 -1.979 1.00 2.00 C ATOM 55 C ASN A 4 -8.048 4.097 -1.039 1.00 2.00 C ATOM 56 O ASN A 4 -7.658 3.012 -1.478 1.00 2.00 O ATOM 57 CB ASN A 4 -8.479 4.918 -3.416 1.00 2.00 C ATOM 58 CG ASN A 4 -8.843 6.031 -4.394 1.00 2.00 C ATOM 59 OD1 ASN A 4 -9.352 7.091 -4.044 1.00 2.00 O ATOM 60 ND2 ASN A 4 -8.608 5.819 -5.661 1.00 2.00 N ATOM 0 H ASN A 4 -5.972 5.302 -2.373 1.00 2.00 H new ATOM 0 HA ASN A 4 -8.734 6.062 -1.561 1.00 2.00 H new ATOM 0 HB2 ASN A 4 -7.673 4.333 -3.858 1.00 2.00 H new ATOM 0 HB3 ASN A 4 -9.340 4.256 -3.325 1.00 2.00 H new ATOM 0 HD21 ASN A 4 -8.847 6.532 -6.350 1.00 2.00 H new ATOM 0 HD22 ASN A 4 -8.185 4.941 -5.961 1.00 2.00 H new ATOM 67 N LYS A 5 -8.457 4.216 0.243 1.00 2.00 N ATOM 68 CA LYS A 5 -8.497 3.046 1.192 1.00 2.00 C ATOM 69 C LYS A 5 -9.379 1.845 0.639 1.00 2.00 C ATOM 70 O LYS A 5 -10.134 2.060 -0.307 1.00 2.00 O ATOM 71 CB LYS A 5 -8.730 3.499 2.659 1.00 2.00 C ATOM 72 CG LYS A 5 -10.055 4.226 2.994 1.00 2.00 C ATOM 73 CD LYS A 5 -10.266 4.545 4.486 1.00 2.00 C ATOM 74 CE LYS A 5 -10.567 3.311 5.353 1.00 2.00 C ATOM 75 NZ LYS A 5 -10.929 3.752 6.714 1.00 2.00 N ATOM 0 H LYS A 5 -8.765 5.096 0.656 1.00 2.00 H new ATOM 0 HA LYS A 5 -7.508 2.590 1.240 1.00 2.00 H new ATOM 0 HB2 LYS A 5 -8.663 2.617 3.295 1.00 2.00 H new ATOM 0 HB3 LYS A 5 -7.908 4.157 2.940 1.00 2.00 H new ATOM 0 HG2 LYS A 5 -10.092 5.158 2.430 1.00 2.00 H new ATOM 0 HG3 LYS A 5 -10.886 3.611 2.649 1.00 2.00 H new ATOM 0 HD2 LYS A 5 -9.374 5.038 4.871 1.00 2.00 H new ATOM 0 HD3 LYS A 5 -11.089 5.254 4.583 1.00 2.00 H new ATOM 0 HE2 LYS A 5 -11.382 2.734 4.916 1.00 2.00 H new ATOM 0 HE3 LYS A 5 -9.697 2.656 5.389 1.00 2.00 H new ATOM 0 HZ1 LYS A 5 -11.134 2.921 7.305 1.00 2.00 H new ATOM 0 HZ2 LYS A 5 -10.138 4.285 7.128 1.00 2.00 H new ATOM 0 HZ3 LYS A 5 -11.771 4.361 6.669 1.00 2.00 H new ATOM 88 N LEU A 6 -9.312 0.597 1.151 1.00 2.00 N ATOM 89 CA LEU A 6 -10.127 -0.564 0.629 1.00 2.00 C ATOM 90 C LEU A 6 -11.553 -0.381 -0.008 1.00 2.00 C ATOM 91 O LEU A 6 -11.805 -0.879 -1.111 1.00 2.00 O ATOM 92 CB LEU A 6 -10.025 -1.764 1.618 1.00 2.00 C ATOM 93 CG LEU A 6 -10.474 -3.186 1.162 1.00 2.00 C ATOM 94 CD1 LEU A 6 -11.985 -3.440 1.296 1.00 2.00 C ATOM 95 CD2 LEU A 6 -10.030 -3.568 -0.263 1.00 2.00 C ATOM 0 H LEU A 6 -8.703 0.349 1.931 1.00 2.00 H new ATOM 0 HA LEU A 6 -9.628 -0.753 -0.321 1.00 2.00 H new ATOM 0 HB2 LEU A 6 -8.984 -1.838 1.933 1.00 2.00 H new ATOM 0 HB3 LEU A 6 -10.609 -1.507 2.502 1.00 2.00 H new ATOM 0 HG LEU A 6 -9.949 -3.831 1.867 1.00 2.00 H new ATOM 0 HD11 LEU A 6 -12.215 -4.451 0.959 1.00 2.00 H new ATOM 0 HD12 LEU A 6 -12.281 -3.329 2.339 1.00 2.00 H new ATOM 0 HD13 LEU A 6 -12.530 -2.720 0.685 1.00 2.00 H new ATOM 0 HD21 LEU A 6 -10.385 -4.572 -0.498 1.00 2.00 H new ATOM 0 HD22 LEU A 6 -10.449 -2.859 -0.977 1.00 2.00 H new ATOM 0 HD23 LEU A 6 -8.942 -3.544 -0.324 1.00 2.00 H new ATOM 107 N ILE A 7 -12.455 0.344 0.655 1.00 2.00 N ATOM 108 CA ILE A 7 -13.845 0.599 0.163 1.00 2.00 C ATOM 109 C ILE A 7 -13.921 1.243 -1.293 1.00 2.00 C ATOM 110 O ILE A 7 -12.992 1.973 -1.658 1.00 2.00 O ATOM 111 CB ILE A 7 -14.548 1.481 1.277 1.00 2.00 C ATOM 112 CG1 ILE A 7 -14.574 0.883 2.724 1.00 2.00 C ATOM 113 CG2 ILE A 7 -15.986 1.963 0.952 1.00 2.00 C ATOM 114 CD1 ILE A 7 -15.229 -0.504 2.890 1.00 2.00 C ATOM 0 H ILE A 7 -12.258 0.781 1.555 1.00 2.00 H new ATOM 0 HA ILE A 7 -14.369 -0.346 0.022 1.00 2.00 H new ATOM 0 HB ILE A 7 -13.869 2.333 1.261 1.00 2.00 H new ATOM 0 HG12 ILE A 7 -13.547 0.819 3.084 1.00 2.00 H new ATOM 0 HG13 ILE A 7 -15.097 1.586 3.373 1.00 2.00 H new ATOM 0 HG21 ILE A 7 -16.367 2.556 1.783 1.00 2.00 H new ATOM 0 HG22 ILE A 7 -15.970 2.572 0.048 1.00 2.00 H new ATOM 0 HG23 ILE A 7 -16.633 1.099 0.796 1.00 2.00 H new ATOM 0 HD11 ILE A 7 -15.183 -0.805 3.937 1.00 2.00 H new ATOM 0 HD12 ILE A 7 -16.270 -0.455 2.572 1.00 2.00 H new ATOM 0 HD13 ILE A 7 -14.697 -1.233 2.279 1.00 2.00 H new ATOM 126 N PRO A 8 -14.955 1.015 -2.169 1.00 2.00 N ATOM 127 CA PRO A 8 -15.019 1.628 -3.537 1.00 2.00 C ATOM 128 C PRO A 8 -14.731 3.170 -3.678 1.00 2.00 C ATOM 129 O PRO A 8 -13.850 3.551 -4.451 1.00 2.00 O ATOM 130 CB PRO A 8 -16.400 1.158 -4.034 1.00 2.00 C ATOM 131 CG PRO A 8 -16.613 -0.190 -3.342 1.00 2.00 C ATOM 132 CD PRO A 8 -15.994 -0.015 -1.957 1.00 2.00 C ATOM 0 HA PRO A 8 -14.186 1.298 -4.158 1.00 2.00 H new ATOM 0 HB2 PRO A 8 -17.182 1.870 -3.768 1.00 2.00 H new ATOM 0 HB3 PRO A 8 -16.418 1.055 -5.119 1.00 2.00 H new ATOM 0 HG2 PRO A 8 -17.672 -0.438 -3.274 1.00 2.00 H new ATOM 0 HG3 PRO A 8 -16.131 -0.998 -3.892 1.00 2.00 H new ATOM 0 HD2 PRO A 8 -16.734 0.307 -1.225 1.00 2.00 H new ATOM 0 HD3 PRO A 8 -15.565 -0.947 -1.589 1.00 2.00 H new ATOM 140 N ILE A 9 -15.440 4.036 -2.928 1.00 2.00 N ATOM 141 CA ILE A 9 -15.245 5.530 -2.975 1.00 2.00 C ATOM 142 C ILE A 9 -13.937 6.042 -2.252 1.00 2.00 C ATOM 143 O ILE A 9 -13.214 6.881 -2.791 1.00 2.00 O ATOM 144 CB ILE A 9 -16.580 6.264 -2.575 1.00 2.00 C ATOM 145 CG1 ILE A 9 -16.577 7.803 -2.811 1.00 2.00 C ATOM 146 CG2 ILE A 9 -17.053 6.008 -1.118 1.00 2.00 C ATOM 147 CD1 ILE A 9 -16.401 8.242 -4.275 1.00 2.00 C ATOM 0 H ILE A 9 -16.163 3.740 -2.272 1.00 2.00 H new ATOM 0 HA ILE A 9 -15.038 5.810 -4.008 1.00 2.00 H new ATOM 0 HB ILE A 9 -17.286 5.801 -3.265 1.00 2.00 H new ATOM 0 HG12 ILE A 9 -17.514 8.214 -2.436 1.00 2.00 H new ATOM 0 HG13 ILE A 9 -15.776 8.244 -2.218 1.00 2.00 H new ATOM 0 HG21 ILE A 9 -17.979 6.554 -0.935 1.00 2.00 H new ATOM 0 HG22 ILE A 9 -17.226 4.942 -0.974 1.00 2.00 H new ATOM 0 HG23 ILE A 9 -16.287 6.349 -0.422 1.00 2.00 H new ATOM 0 HD11 ILE A 9 -16.413 9.330 -4.332 1.00 2.00 H new ATOM 0 HD12 ILE A 9 -15.450 7.869 -4.655 1.00 2.00 H new ATOM 0 HD13 ILE A 9 -17.216 7.838 -4.876 1.00 2.00 H new ATOM 159 N ALA A 10 -13.709 5.568 -1.015 1.00 2.00 N ATOM 160 CA ALA A 10 -12.560 5.881 -0.124 1.00 2.00 C ATOM 161 C ALA A 10 -11.701 7.204 -0.214 1.00 2.00 C ATOM 162 O ALA A 10 -10.985 7.465 -1.187 1.00 2.00 O ATOM 163 CB ALA A 10 -11.718 4.617 -0.252 1.00 2.00 C ATOM 0 H ALA A 10 -14.358 4.915 -0.576 1.00 2.00 H new ATOM 0 HA ALA A 10 -12.984 6.146 0.845 1.00 2.00 H new ATOM 0 HB1 ALA A 10 -10.824 4.712 0.364 1.00 2.00 H new ATOM 0 HB2 ALA A 10 -12.299 3.757 0.082 1.00 2.00 H new ATOM 0 HB3 ALA A 10 -11.428 4.477 -1.293 1.00 2.00 H new ATOM 169 N SER A 11 -11.678 7.985 0.881 1.00 2.00 N ATOM 170 CA SER A 11 -10.923 9.266 0.960 1.00 2.00 C ATOM 171 C SER A 11 -9.689 9.310 1.927 1.00 2.00 C ATOM 172 O SER A 11 -9.844 9.501 3.137 1.00 2.00 O ATOM 173 CB SER A 11 -11.956 10.366 1.325 1.00 2.00 C ATOM 174 OG SER A 11 -12.484 10.194 2.644 1.00 2.00 O ATOM 0 H SER A 11 -12.179 7.754 1.739 1.00 2.00 H new ATOM 0 HA SER A 11 -10.454 9.417 -0.012 1.00 2.00 H new ATOM 0 HB2 SER A 11 -11.484 11.345 1.249 1.00 2.00 H new ATOM 0 HB3 SER A 11 -12.773 10.349 0.603 1.00 2.00 H new ATOM 0 HG SER A 11 -11.769 9.902 3.247 1.00 2.00 H new ATOM 180 N LYS A 12 -8.467 9.180 1.387 1.00 2.00 N ATOM 181 CA LYS A 12 -7.203 9.209 2.185 1.00 2.00 C ATOM 182 C LYS A 12 -6.359 10.442 1.713 1.00 2.00 C ATOM 183 O LYS A 12 -6.115 10.600 0.516 1.00 2.00 O ATOM 184 CB LYS A 12 -6.483 7.843 2.015 1.00 2.00 C ATOM 185 CG LYS A 12 -5.166 7.632 2.807 1.00 2.00 C ATOM 186 CD LYS A 12 -5.307 7.488 4.338 1.00 2.00 C ATOM 187 CE LYS A 12 -5.957 6.168 4.788 1.00 2.00 C ATOM 188 NZ LYS A 12 -6.008 6.130 6.264 1.00 2.00 N ATOM 0 H LYS A 12 -8.313 9.051 0.387 1.00 2.00 H new ATOM 0 HA LYS A 12 -7.380 9.335 3.253 1.00 2.00 H new ATOM 0 HB2 LYS A 12 -7.180 7.056 2.303 1.00 2.00 H new ATOM 0 HB3 LYS A 12 -6.266 7.705 0.956 1.00 2.00 H new ATOM 0 HG2 LYS A 12 -4.674 6.738 2.423 1.00 2.00 H new ATOM 0 HG3 LYS A 12 -4.504 8.473 2.601 1.00 2.00 H new ATOM 0 HD2 LYS A 12 -4.319 7.567 4.792 1.00 2.00 H new ATOM 0 HD3 LYS A 12 -5.900 8.320 4.717 1.00 2.00 H new ATOM 0 HE2 LYS A 12 -6.962 6.085 4.375 1.00 2.00 H new ATOM 0 HE3 LYS A 12 -5.386 5.320 4.410 1.00 2.00 H new ATOM 0 HZ1 LYS A 12 -6.447 5.239 6.573 1.00 2.00 H new ATOM 0 HZ2 LYS A 12 -5.043 6.192 6.646 1.00 2.00 H new ATOM 0 HZ3 LYS A 12 -6.570 6.932 6.613 1.00 2.00 H new ATOM 201 N THR A 13 -5.917 11.321 2.626 1.00 2.00 N ATOM 202 CA THR A 13 -5.102 12.534 2.276 1.00 2.00 C ATOM 203 C THR A 13 -3.902 12.721 3.265 1.00 2.00 C ATOM 204 O THR A 13 -3.947 13.568 4.161 1.00 2.00 O ATOM 205 CB THR A 13 -6.015 13.788 2.070 1.00 2.00 C ATOM 206 OG1 THR A 13 -5.211 14.908 1.724 1.00 2.00 O ATOM 207 CG2 THR A 13 -6.904 14.238 3.243 1.00 2.00 C ATOM 0 H THR A 13 -6.103 11.228 3.625 1.00 2.00 H new ATOM 0 HA THR A 13 -4.626 12.384 1.307 1.00 2.00 H new ATOM 0 HB THR A 13 -6.700 13.454 1.291 1.00 2.00 H new ATOM 0 HG1 THR A 13 -5.701 15.735 1.917 1.00 2.00 H new ATOM 0 HG21 THR A 13 -7.477 15.117 2.949 1.00 2.00 H new ATOM 0 HG22 THR A 13 -7.588 13.433 3.511 1.00 2.00 H new ATOM 0 HG23 THR A 13 -6.278 14.483 4.101 1.00 2.00 H new ATOM 215 N CYS A 14 -2.810 11.948 3.089 1.00 2.00 N ATOM 216 CA CYS A 14 -1.604 12.035 3.970 1.00 2.00 C ATOM 217 C CYS A 14 -0.357 12.791 3.343 1.00 2.00 C ATOM 218 O CYS A 14 -0.363 13.044 2.135 1.00 2.00 O ATOM 219 CB CYS A 14 -1.377 10.620 4.564 1.00 2.00 C ATOM 220 SG CYS A 14 0.092 9.795 3.933 1.00 2.00 S ATOM 0 H CYS A 14 -2.729 11.253 2.347 1.00 2.00 H new ATOM 0 HA CYS A 14 -1.778 12.718 4.801 1.00 2.00 H new ATOM 0 HB2 CYS A 14 -1.300 10.699 5.648 1.00 2.00 H new ATOM 0 HB3 CYS A 14 -2.249 10.002 4.351 1.00 2.00 H new ATOM 225 N PRO A 15 0.755 13.119 4.071 1.00 2.00 N ATOM 226 CA PRO A 15 1.937 13.841 3.492 1.00 2.00 C ATOM 227 C PRO A 15 2.775 13.393 2.252 1.00 2.00 C ATOM 228 O PRO A 15 2.671 12.267 1.758 1.00 2.00 O ATOM 229 CB PRO A 15 2.850 13.959 4.737 1.00 2.00 C ATOM 230 CG PRO A 15 1.909 13.987 5.935 1.00 2.00 C ATOM 231 CD PRO A 15 0.820 12.995 5.547 1.00 2.00 C ATOM 0 HA PRO A 15 1.511 14.712 2.993 1.00 2.00 H new ATOM 0 HB2 PRO A 15 3.539 13.116 4.799 1.00 2.00 H new ATOM 0 HB3 PRO A 15 3.456 14.864 4.694 1.00 2.00 H new ATOM 0 HG2 PRO A 15 2.417 13.689 6.852 1.00 2.00 H new ATOM 0 HG3 PRO A 15 1.503 14.984 6.105 1.00 2.00 H new ATOM 0 HD2 PRO A 15 1.072 11.980 5.855 1.00 2.00 H new ATOM 0 HD3 PRO A 15 -0.134 13.242 6.014 1.00 2.00 H new ATOM 239 N ALA A 16 3.581 14.340 1.717 1.00 2.00 N ATOM 240 CA ALA A 16 4.473 14.109 0.536 1.00 2.00 C ATOM 241 C ALA A 16 5.655 13.159 0.951 1.00 2.00 C ATOM 242 O ALA A 16 5.797 12.826 2.138 1.00 2.00 O ATOM 243 CB ALA A 16 4.914 15.508 0.068 1.00 2.00 C ATOM 0 H ALA A 16 3.638 15.289 2.086 1.00 2.00 H new ATOM 0 HA ALA A 16 3.982 13.601 -0.294 1.00 2.00 H new ATOM 0 HB1 ALA A 16 5.571 15.412 -0.796 1.00 2.00 H new ATOM 0 HB2 ALA A 16 4.036 16.093 -0.207 1.00 2.00 H new ATOM 0 HB3 ALA A 16 5.447 16.010 0.875 1.00 2.00 H new ATOM 249 N GLY A 17 6.563 12.723 0.049 1.00 2.00 N ATOM 250 CA GLY A 17 7.678 11.790 0.486 1.00 2.00 C ATOM 251 C GLY A 17 7.084 10.348 0.467 1.00 2.00 C ATOM 252 O GLY A 17 7.629 9.446 -0.171 1.00 2.00 O ATOM 0 H GLY A 17 6.568 12.974 -0.940 1.00 2.00 H new ATOM 0 HA2 GLY A 17 8.533 11.866 -0.186 1.00 2.00 H new ATOM 0 HA3 GLY A 17 8.033 12.050 1.483 1.00 2.00 H new ATOM 256 N LYS A 18 5.934 10.167 1.169 1.00 2.00 N ATOM 257 CA LYS A 18 5.165 8.908 1.289 1.00 2.00 C ATOM 258 C LYS A 18 4.332 8.859 -0.079 1.00 2.00 C ATOM 259 O LYS A 18 3.100 8.975 -0.125 1.00 2.00 O ATOM 260 CB LYS A 18 4.251 9.012 2.551 1.00 2.00 C ATOM 261 CG LYS A 18 4.917 9.154 3.946 1.00 2.00 C ATOM 262 CD LYS A 18 5.020 7.845 4.757 1.00 2.00 C ATOM 263 CE LYS A 18 5.659 8.020 6.148 1.00 2.00 C ATOM 264 NZ LYS A 18 7.134 8.117 6.078 1.00 2.00 N ATOM 0 H LYS A 18 5.502 10.931 1.688 1.00 2.00 H new ATOM 0 HA LYS A 18 5.761 8.005 1.418 1.00 2.00 H new ATOM 0 HB2 LYS A 18 3.591 9.868 2.411 1.00 2.00 H new ATOM 0 HB3 LYS A 18 3.619 8.124 2.575 1.00 2.00 H new ATOM 0 HG2 LYS A 18 5.919 9.561 3.813 1.00 2.00 H new ATOM 0 HG3 LYS A 18 4.352 9.881 4.529 1.00 2.00 H new ATOM 0 HD2 LYS A 18 4.022 7.424 4.877 1.00 2.00 H new ATOM 0 HD3 LYS A 18 5.604 7.122 4.188 1.00 2.00 H new ATOM 0 HE2 LYS A 18 5.260 8.918 6.619 1.00 2.00 H new ATOM 0 HE3 LYS A 18 5.382 7.178 6.782 1.00 2.00 H new ATOM 0 HZ1 LYS A 18 7.460 8.895 6.687 1.00 2.00 H new ATOM 0 HZ2 LYS A 18 7.556 7.224 6.402 1.00 2.00 H new ATOM 0 HZ3 LYS A 18 7.424 8.301 5.096 1.00 2.00 H new ATOM 277 N ASN A 19 5.076 8.719 -1.196 1.00 2.00 N ATOM 278 CA ASN A 19 4.591 8.654 -2.595 1.00 2.00 C ATOM 279 C ASN A 19 3.702 7.477 -3.070 1.00 2.00 C ATOM 280 O ASN A 19 2.790 7.661 -3.876 1.00 2.00 O ATOM 281 CB ASN A 19 5.831 8.878 -3.517 1.00 2.00 C ATOM 282 CG ASN A 19 6.872 7.751 -3.605 1.00 2.00 C ATOM 283 OD1 ASN A 19 6.756 6.838 -4.410 1.00 2.00 O ATOM 284 ND2 ASN A 19 7.898 7.751 -2.793 1.00 2.00 N ATOM 0 H ASN A 19 6.092 8.644 -1.145 1.00 2.00 H new ATOM 0 HA ASN A 19 3.839 9.440 -2.659 1.00 2.00 H new ATOM 0 HB2 ASN A 19 5.467 9.077 -4.525 1.00 2.00 H new ATOM 0 HB3 ASN A 19 6.341 9.780 -3.178 1.00 2.00 H new ATOM 0 HD21 ASN A 19 8.584 6.998 -2.838 1.00 2.00 H new ATOM 0 HD22 ASN A 19 8.012 8.504 -2.115 1.00 2.00 H new ATOM 291 N LEU A 20 4.010 6.281 -2.598 1.00 2.00 N ATOM 292 CA LEU A 20 3.286 5.055 -2.940 1.00 2.00 C ATOM 293 C LEU A 20 1.875 4.911 -2.315 1.00 2.00 C ATOM 294 O LEU A 20 1.705 4.868 -1.090 1.00 2.00 O ATOM 295 CB LEU A 20 4.166 3.855 -2.488 1.00 2.00 C ATOM 296 CG LEU A 20 5.597 3.681 -3.063 1.00 2.00 C ATOM 297 CD1 LEU A 20 6.306 2.484 -2.435 1.00 2.00 C ATOM 298 CD2 LEU A 20 5.640 3.488 -4.574 1.00 2.00 C ATOM 0 H LEU A 20 4.785 6.125 -1.953 1.00 2.00 H new ATOM 0 HA LEU A 20 3.112 5.087 -4.016 1.00 2.00 H new ATOM 0 HB2 LEU A 20 4.257 3.911 -1.403 1.00 2.00 H new ATOM 0 HB3 LEU A 20 3.613 2.944 -2.715 1.00 2.00 H new ATOM 0 HG LEU A 20 6.100 4.616 -2.818 1.00 2.00 H new ATOM 0 HD11 LEU A 20 7.306 2.390 -2.859 1.00 2.00 H new ATOM 0 HD12 LEU A 20 6.381 2.630 -1.357 1.00 2.00 H new ATOM 0 HD13 LEU A 20 5.738 1.576 -2.639 1.00 2.00 H new ATOM 0 HD21 LEU A 20 6.675 3.374 -4.897 1.00 2.00 H new ATOM 0 HD22 LEU A 20 5.075 2.595 -4.843 1.00 2.00 H new ATOM 0 HD23 LEU A 20 5.201 4.357 -5.064 1.00 2.00 H new ATOM 310 N CYS A 21 0.844 4.862 -3.170 1.00 2.00 N ATOM 311 CA CYS A 21 -0.562 4.706 -2.723 1.00 2.00 C ATOM 312 C CYS A 21 -0.606 3.135 -2.600 1.00 2.00 C ATOM 313 O CYS A 21 -0.833 2.416 -3.578 1.00 2.00 O ATOM 314 CB CYS A 21 -1.499 5.332 -3.776 1.00 2.00 C ATOM 315 SG CYS A 21 -1.845 7.053 -3.389 1.00 2.00 S ATOM 0 H CYS A 21 0.951 4.928 -4.182 1.00 2.00 H new ATOM 0 HA CYS A 21 -0.879 5.199 -1.804 1.00 2.00 H new ATOM 0 HB2 CYS A 21 -1.041 5.262 -4.763 1.00 2.00 H new ATOM 0 HB3 CYS A 21 -2.432 4.770 -3.817 1.00 2.00 H new ATOM 320 N TYR A 22 -0.307 2.601 -1.398 1.00 2.00 N ATOM 321 CA TYR A 22 -0.298 1.141 -1.152 1.00 2.00 C ATOM 322 C TYR A 22 -1.620 0.341 -1.240 1.00 2.00 C ATOM 323 O TYR A 22 -2.714 0.828 -0.966 1.00 2.00 O ATOM 324 CB TYR A 22 0.572 0.784 0.094 1.00 2.00 C ATOM 325 CG TYR A 22 -0.021 0.909 1.513 1.00 2.00 C ATOM 326 CD1 TYR A 22 -0.855 -0.080 2.051 1.00 2.00 C ATOM 327 CD2 TYR A 22 0.364 1.979 2.319 1.00 2.00 C ATOM 328 CE1 TYR A 22 -1.305 0.015 3.369 1.00 2.00 C ATOM 329 CE2 TYR A 22 -0.066 2.064 3.641 1.00 2.00 C ATOM 330 CZ TYR A 22 -0.906 1.087 4.161 1.00 2.00 C ATOM 331 OH TYR A 22 -1.348 1.200 5.450 1.00 2.00 O ATOM 0 H TYR A 22 -0.068 3.160 -0.579 1.00 2.00 H new ATOM 0 HA TYR A 22 0.178 0.763 -2.057 1.00 2.00 H new ATOM 0 HB2 TYR A 22 0.905 -0.247 -0.028 1.00 2.00 H new ATOM 0 HB3 TYR A 22 1.462 1.413 0.058 1.00 2.00 H new ATOM 0 HD1 TYR A 22 -1.152 -0.921 1.442 1.00 2.00 H new ATOM 0 HD2 TYR A 22 1.002 2.750 1.914 1.00 2.00 H new ATOM 0 HE1 TYR A 22 -1.961 -0.742 3.773 1.00 2.00 H new ATOM 0 HE2 TYR A 22 0.253 2.888 4.261 1.00 2.00 H new ATOM 0 HH TYR A 22 -0.969 2.008 5.856 1.00 2.00 H new ATOM 341 N LYS A 23 -1.458 -0.941 -1.551 1.00 2.00 N ATOM 342 CA LYS A 23 -2.547 -1.920 -1.695 1.00 2.00 C ATOM 343 C LYS A 23 -2.066 -3.152 -0.864 1.00 2.00 C ATOM 344 O LYS A 23 -1.221 -3.942 -1.289 1.00 2.00 O ATOM 345 CB LYS A 23 -2.782 -2.082 -3.221 1.00 2.00 C ATOM 346 CG LYS A 23 -4.061 -2.809 -3.644 1.00 2.00 C ATOM 347 CD LYS A 23 -4.584 -2.422 -5.044 1.00 2.00 C ATOM 348 CE LYS A 23 -3.643 -2.804 -6.196 1.00 2.00 C ATOM 349 NZ LYS A 23 -4.232 -2.359 -7.475 1.00 2.00 N ATOM 0 H LYS A 23 -0.537 -1.348 -1.717 1.00 2.00 H new ATOM 0 HA LYS A 23 -3.534 -1.669 -1.306 1.00 2.00 H new ATOM 0 HB2 LYS A 23 -2.789 -1.090 -3.672 1.00 2.00 H new ATOM 0 HB3 LYS A 23 -1.931 -2.617 -3.642 1.00 2.00 H new ATOM 0 HG2 LYS A 23 -3.877 -3.883 -3.623 1.00 2.00 H new ATOM 0 HG3 LYS A 23 -4.840 -2.604 -2.910 1.00 2.00 H new ATOM 0 HD2 LYS A 23 -5.549 -2.902 -5.204 1.00 2.00 H new ATOM 0 HD3 LYS A 23 -4.755 -1.346 -5.071 1.00 2.00 H new ATOM 0 HE2 LYS A 23 -2.666 -2.342 -6.052 1.00 2.00 H new ATOM 0 HE3 LYS A 23 -3.486 -3.883 -6.210 1.00 2.00 H new ATOM 0 HZ1 LYS A 23 -3.597 -2.616 -8.258 1.00 2.00 H new ATOM 0 HZ2 LYS A 23 -5.154 -2.820 -7.611 1.00 2.00 H new ATOM 0 HZ3 LYS A 23 -4.360 -1.327 -7.458 1.00 2.00 H new ATOM 362 N MET A 24 -2.525 -3.232 0.395 1.00 2.00 N ATOM 363 CA MET A 24 -2.184 -4.318 1.350 1.00 2.00 C ATOM 364 C MET A 24 -2.772 -5.720 0.971 1.00 2.00 C ATOM 365 O MET A 24 -3.855 -6.111 1.410 1.00 2.00 O ATOM 366 CB MET A 24 -2.668 -3.809 2.752 1.00 2.00 C ATOM 367 CG MET A 24 -2.179 -4.582 3.992 1.00 2.00 C ATOM 368 SD MET A 24 -3.077 -4.185 5.500 1.00 2.00 S ATOM 369 CE MET A 24 -2.244 -5.321 6.623 1.00 2.00 C ATOM 0 H MET A 24 -3.155 -2.535 0.792 1.00 2.00 H new ATOM 0 HA MET A 24 -1.111 -4.507 1.339 1.00 2.00 H new ATOM 0 HB2 MET A 24 -2.358 -2.769 2.859 1.00 2.00 H new ATOM 0 HB3 MET A 24 -3.758 -3.819 2.757 1.00 2.00 H new ATOM 0 HG2 MET A 24 -2.267 -5.651 3.799 1.00 2.00 H new ATOM 0 HG3 MET A 24 -1.121 -4.372 4.145 1.00 2.00 H new ATOM 0 HE1 MET A 24 -2.668 -5.221 7.622 1.00 2.00 H new ATOM 0 HE2 MET A 24 -2.379 -6.344 6.272 1.00 2.00 H new ATOM 0 HE3 MET A 24 -1.180 -5.086 6.655 1.00 2.00 H new ATOM 379 N PHE A 25 -2.045 -6.466 0.130 1.00 2.00 N ATOM 380 CA PHE A 25 -2.454 -7.824 -0.326 1.00 2.00 C ATOM 381 C PHE A 25 -2.025 -8.792 0.832 1.00 2.00 C ATOM 382 O PHE A 25 -0.826 -8.974 1.067 1.00 2.00 O ATOM 383 CB PHE A 25 -1.699 -8.159 -1.650 1.00 2.00 C ATOM 384 CG PHE A 25 -2.281 -7.836 -3.042 1.00 2.00 C ATOM 385 CD1 PHE A 25 -3.288 -6.893 -3.278 1.00 2.00 C ATOM 386 CD2 PHE A 25 -1.765 -8.560 -4.126 1.00 2.00 C ATOM 387 CE1 PHE A 25 -3.784 -6.704 -4.569 1.00 2.00 C ATOM 388 CE2 PHE A 25 -2.274 -8.381 -5.409 1.00 2.00 C ATOM 389 CZ PHE A 25 -3.281 -7.449 -5.628 1.00 2.00 C ATOM 0 H PHE A 25 -1.155 -6.156 -0.260 1.00 2.00 H new ATOM 0 HA PHE A 25 -3.522 -7.907 -0.529 1.00 2.00 H new ATOM 0 HB2 PHE A 25 -0.732 -7.659 -1.593 1.00 2.00 H new ATOM 0 HB3 PHE A 25 -1.504 -9.231 -1.635 1.00 2.00 H new ATOM 0 HD1 PHE A 25 -3.682 -6.310 -2.459 1.00 2.00 H new ATOM 0 HD2 PHE A 25 -0.963 -9.265 -3.964 1.00 2.00 H new ATOM 0 HE1 PHE A 25 -4.562 -5.976 -4.745 1.00 2.00 H new ATOM 0 HE2 PHE A 25 -1.888 -8.965 -6.232 1.00 2.00 H new ATOM 0 HZ PHE A 25 -3.673 -7.304 -6.624 1.00 2.00 H new ATOM 399 N MET A 26 -2.972 -9.349 1.606 1.00 2.00 N ATOM 400 CA MET A 26 -2.645 -10.279 2.731 1.00 2.00 C ATOM 401 C MET A 26 -1.836 -11.546 2.291 1.00 2.00 C ATOM 402 O MET A 26 -2.153 -12.128 1.254 1.00 2.00 O ATOM 403 CB MET A 26 -3.980 -10.653 3.430 1.00 2.00 C ATOM 404 CG MET A 26 -3.836 -11.349 4.801 1.00 2.00 C ATOM 405 SD MET A 26 -5.460 -11.748 5.472 1.00 2.00 S ATOM 406 CE MET A 26 -4.945 -12.365 7.084 1.00 2.00 C ATOM 0 H MET A 26 -3.970 -9.180 1.484 1.00 2.00 H new ATOM 0 HA MET A 26 -1.976 -9.770 3.425 1.00 2.00 H new ATOM 0 HB2 MET A 26 -4.568 -9.745 3.562 1.00 2.00 H new ATOM 0 HB3 MET A 26 -4.547 -11.307 2.767 1.00 2.00 H new ATOM 0 HG2 MET A 26 -3.245 -12.259 4.695 1.00 2.00 H new ATOM 0 HG3 MET A 26 -3.299 -10.699 5.492 1.00 2.00 H new ATOM 0 HE1 MET A 26 -5.823 -12.666 7.656 1.00 2.00 H new ATOM 0 HE2 MET A 26 -4.286 -13.223 6.952 1.00 2.00 H new ATOM 0 HE3 MET A 26 -4.414 -11.580 7.621 1.00 2.00 H new ATOM 416 N MET A 27 -0.808 -11.982 3.053 1.00 2.00 N ATOM 417 CA MET A 27 0.015 -13.194 2.695 1.00 2.00 C ATOM 418 C MET A 27 -0.811 -14.480 2.303 1.00 2.00 C ATOM 419 O MET A 27 -0.422 -15.218 1.397 1.00 2.00 O ATOM 420 CB MET A 27 1.039 -13.489 3.835 1.00 2.00 C ATOM 421 CG MET A 27 2.465 -12.971 3.572 1.00 2.00 C ATOM 422 SD MET A 27 3.165 -13.782 2.119 1.00 2.00 S ATOM 423 CE MET A 27 4.814 -13.060 2.140 1.00 2.00 C ATOM 0 H MET A 27 -0.518 -11.526 3.918 1.00 2.00 H new ATOM 0 HA MET A 27 0.542 -12.938 1.776 1.00 2.00 H new ATOM 0 HB2 MET A 27 0.671 -13.044 4.759 1.00 2.00 H new ATOM 0 HB3 MET A 27 1.083 -14.566 3.995 1.00 2.00 H new ATOM 0 HG2 MET A 27 2.446 -11.892 3.421 1.00 2.00 H new ATOM 0 HG3 MET A 27 3.095 -13.160 4.442 1.00 2.00 H new ATOM 0 HE1 MET A 27 5.393 -13.451 1.304 1.00 2.00 H new ATOM 0 HE2 MET A 27 4.738 -11.976 2.053 1.00 2.00 H new ATOM 0 HE3 MET A 27 5.311 -13.315 3.076 1.00 2.00 H new ATOM 433 N SER A 28 -1.923 -14.747 3.008 1.00 2.00 N ATOM 434 CA SER A 28 -2.803 -15.915 2.745 1.00 2.00 C ATOM 435 C SER A 28 -3.802 -15.676 1.539 1.00 2.00 C ATOM 436 O SER A 28 -4.105 -16.617 0.804 1.00 2.00 O ATOM 437 CB SER A 28 -3.558 -16.271 4.050 1.00 2.00 C ATOM 438 OG SER A 28 -2.666 -16.623 5.112 1.00 2.00 O ATOM 0 H SER A 28 -2.244 -14.162 3.780 1.00 2.00 H new ATOM 0 HA SER A 28 -2.179 -16.754 2.439 1.00 2.00 H new ATOM 0 HB2 SER A 28 -4.169 -15.422 4.357 1.00 2.00 H new ATOM 0 HB3 SER A 28 -4.238 -17.101 3.859 1.00 2.00 H new ATOM 0 HG SER A 28 -3.183 -16.838 5.916 1.00 2.00 H new ATOM 444 N ASP A 29 -4.376 -14.461 1.388 1.00 2.00 N ATOM 445 CA ASP A 29 -5.326 -14.101 0.298 1.00 2.00 C ATOM 446 C ASP A 29 -4.838 -12.725 -0.286 1.00 2.00 C ATOM 447 O ASP A 29 -5.154 -11.651 0.235 1.00 2.00 O ATOM 448 CB ASP A 29 -6.772 -14.095 0.855 1.00 2.00 C ATOM 449 CG ASP A 29 -7.872 -13.889 -0.186 1.00 2.00 C ATOM 450 OD1 ASP A 29 -7.694 -13.848 -1.401 1.00 2.00 O ATOM 451 OD2 ASP A 29 -9.094 -13.766 0.395 1.00 2.00 O ATOM 0 H ASP A 29 -4.193 -13.688 2.027 1.00 2.00 H new ATOM 0 HA ASP A 29 -5.343 -14.824 -0.518 1.00 2.00 H new ATOM 0 HB2 ASP A 29 -6.951 -15.041 1.366 1.00 2.00 H new ATOM 0 HB3 ASP A 29 -6.852 -13.308 1.605 1.00 2.00 H new ATOM 457 N LEU A 30 -4.123 -12.781 -1.417 1.00 2.00 N ATOM 458 CA LEU A 30 -3.571 -11.587 -2.112 1.00 2.00 C ATOM 459 C LEU A 30 -4.572 -10.703 -2.953 1.00 2.00 C ATOM 460 O LEU A 30 -4.951 -9.622 -2.502 1.00 2.00 O ATOM 461 CB LEU A 30 -2.367 -12.124 -2.983 1.00 2.00 C ATOM 462 CG LEU A 30 -1.051 -12.715 -2.393 1.00 2.00 C ATOM 463 CD1 LEU A 30 -0.241 -11.713 -1.560 1.00 2.00 C ATOM 464 CD2 LEU A 30 -1.227 -14.034 -1.621 1.00 2.00 C ATOM 0 H LEU A 30 -3.904 -13.659 -1.888 1.00 2.00 H new ATOM 0 HA LEU A 30 -3.271 -10.868 -1.350 1.00 2.00 H new ATOM 0 HB2 LEU A 30 -2.782 -12.896 -3.630 1.00 2.00 H new ATOM 0 HB3 LEU A 30 -2.066 -11.297 -3.626 1.00 2.00 H new ATOM 0 HG LEU A 30 -0.473 -12.950 -3.287 1.00 2.00 H new ATOM 0 HD11 LEU A 30 0.660 -12.197 -1.183 1.00 2.00 H new ATOM 0 HD12 LEU A 30 0.037 -10.863 -2.183 1.00 2.00 H new ATOM 0 HD13 LEU A 30 -0.844 -11.366 -0.721 1.00 2.00 H new ATOM 0 HD21 LEU A 30 -0.259 -14.369 -1.248 1.00 2.00 H new ATOM 0 HD22 LEU A 30 -1.905 -13.877 -0.782 1.00 2.00 H new ATOM 0 HD23 LEU A 30 -1.642 -14.792 -2.286 1.00 2.00 H new ATOM 476 N THR A 31 -4.951 -11.160 -4.169 1.00 2.00 N ATOM 477 CA THR A 31 -5.887 -10.500 -5.154 1.00 2.00 C ATOM 478 C THR A 31 -6.808 -9.307 -4.723 1.00 2.00 C ATOM 479 O THR A 31 -6.637 -8.184 -5.207 1.00 2.00 O ATOM 480 CB THR A 31 -6.672 -11.607 -5.941 1.00 2.00 C ATOM 481 OG1 THR A 31 -7.531 -12.345 -5.074 1.00 2.00 O ATOM 482 CG2 THR A 31 -5.830 -12.642 -6.702 1.00 2.00 C ATOM 0 H THR A 31 -4.601 -12.049 -4.525 1.00 2.00 H new ATOM 0 HA THR A 31 -5.196 -9.937 -5.782 1.00 2.00 H new ATOM 0 HB THR A 31 -7.212 -11.020 -6.684 1.00 2.00 H new ATOM 0 HG1 THR A 31 -8.009 -13.027 -5.590 1.00 2.00 H new ATOM 0 HG21 THR A 31 -6.490 -13.350 -7.203 1.00 2.00 H new ATOM 0 HG22 THR A 31 -5.212 -12.135 -7.443 1.00 2.00 H new ATOM 0 HG23 THR A 31 -5.189 -13.177 -6.001 1.00 2.00 H new ATOM 490 N ILE A 32 -7.828 -9.568 -3.891 1.00 2.00 N ATOM 491 CA ILE A 32 -8.782 -8.534 -3.387 1.00 2.00 C ATOM 492 C ILE A 32 -8.008 -8.077 -2.077 1.00 2.00 C ATOM 493 O ILE A 32 -7.886 -8.887 -1.146 1.00 2.00 O ATOM 494 CB ILE A 32 -10.223 -9.113 -3.138 1.00 2.00 C ATOM 495 CG1 ILE A 32 -11.058 -9.421 -4.420 1.00 2.00 C ATOM 496 CG2 ILE A 32 -11.093 -8.159 -2.275 1.00 2.00 C ATOM 497 CD1 ILE A 32 -10.556 -10.561 -5.322 1.00 2.00 C ATOM 0 H ILE A 32 -8.026 -10.505 -3.539 1.00 2.00 H new ATOM 0 HA ILE A 32 -9.004 -7.715 -4.071 1.00 2.00 H new ATOM 0 HB ILE A 32 -10.009 -10.053 -2.630 1.00 2.00 H new ATOM 0 HG12 ILE A 32 -12.077 -9.656 -4.112 1.00 2.00 H new ATOM 0 HG13 ILE A 32 -11.107 -8.512 -5.019 1.00 2.00 H new ATOM 0 HG21 ILE A 32 -12.079 -8.599 -2.128 1.00 2.00 H new ATOM 0 HG22 ILE A 32 -10.616 -8.007 -1.307 1.00 2.00 H new ATOM 0 HG23 ILE A 32 -11.195 -7.200 -2.783 1.00 2.00 H new ATOM 0 HD11 ILE A 32 -11.225 -10.671 -6.176 1.00 2.00 H new ATOM 0 HD12 ILE A 32 -9.551 -10.330 -5.675 1.00 2.00 H new ATOM 0 HD13 ILE A 32 -10.536 -11.492 -4.755 1.00 2.00 H new ATOM 509 N PRO A 33 -7.463 -6.835 -1.948 1.00 2.00 N ATOM 510 CA PRO A 33 -6.730 -6.424 -0.722 1.00 2.00 C ATOM 511 C PRO A 33 -7.498 -6.275 0.621 1.00 2.00 C ATOM 512 O PRO A 33 -8.711 -6.077 0.667 1.00 2.00 O ATOM 513 CB PRO A 33 -6.146 -5.045 -1.122 1.00 2.00 C ATOM 514 CG PRO A 33 -6.520 -4.790 -2.580 1.00 2.00 C ATOM 515 CD PRO A 33 -7.557 -5.809 -2.991 1.00 2.00 C ATOM 0 HA PRO A 33 -6.037 -7.228 -0.474 1.00 2.00 H new ATOM 0 HB2 PRO A 33 -6.546 -4.259 -0.481 1.00 2.00 H new ATOM 0 HB3 PRO A 33 -5.063 -5.037 -0.998 1.00 2.00 H new ATOM 0 HG2 PRO A 33 -6.912 -3.780 -2.700 1.00 2.00 H new ATOM 0 HG3 PRO A 33 -5.639 -4.867 -3.217 1.00 2.00 H new ATOM 0 HD2 PRO A 33 -8.554 -5.371 -3.034 1.00 2.00 H new ATOM 0 HD3 PRO A 33 -7.346 -6.220 -3.978 1.00 2.00 H new ATOM 523 N VAL A 34 -6.753 -6.354 1.729 1.00 2.00 N ATOM 524 CA VAL A 34 -7.333 -6.211 3.107 1.00 2.00 C ATOM 525 C VAL A 34 -7.420 -4.677 3.497 1.00 2.00 C ATOM 526 O VAL A 34 -8.361 -4.230 4.154 1.00 2.00 O ATOM 527 CB VAL A 34 -6.694 -7.121 4.206 1.00 2.00 C ATOM 528 CG1 VAL A 34 -7.078 -8.603 4.016 1.00 2.00 C ATOM 529 CG2 VAL A 34 -5.165 -7.001 4.381 1.00 2.00 C ATOM 0 H VAL A 34 -5.746 -6.516 1.719 1.00 2.00 H new ATOM 0 HA VAL A 34 -8.347 -6.609 3.064 1.00 2.00 H new ATOM 0 HB VAL A 34 -7.125 -6.732 5.128 1.00 2.00 H new ATOM 0 HG11 VAL A 34 -6.614 -9.202 4.799 1.00 2.00 H new ATOM 0 HG12 VAL A 34 -8.161 -8.708 4.072 1.00 2.00 H new ATOM 0 HG13 VAL A 34 -6.730 -8.947 3.042 1.00 2.00 H new ATOM 0 HG21 VAL A 34 -4.835 -7.677 5.169 1.00 2.00 H new ATOM 0 HG22 VAL A 34 -4.670 -7.264 3.446 1.00 2.00 H new ATOM 0 HG23 VAL A 34 -4.909 -5.977 4.651 1.00 2.00 H new ATOM 539 N LYS A 35 -6.417 -3.878 3.087 1.00 2.00 N ATOM 540 CA LYS A 35 -6.308 -2.422 3.335 1.00 2.00 C ATOM 541 C LYS A 35 -5.621 -1.736 2.102 1.00 2.00 C ATOM 542 O LYS A 35 -5.067 -2.358 1.194 1.00 2.00 O ATOM 543 CB LYS A 35 -5.614 -2.167 4.709 1.00 2.00 C ATOM 544 CG LYS A 35 -5.713 -0.728 5.280 1.00 2.00 C ATOM 545 CD LYS A 35 -5.156 -0.575 6.711 1.00 2.00 C ATOM 546 CE LYS A 35 -6.115 -1.077 7.803 1.00 2.00 C ATOM 547 NZ LYS A 35 -5.514 -0.840 9.130 1.00 2.00 N ATOM 0 H LYS A 35 -5.627 -4.240 2.552 1.00 2.00 H new ATOM 0 HA LYS A 35 -7.290 -1.958 3.423 1.00 2.00 H new ATOM 0 HB2 LYS A 35 -6.042 -2.854 5.439 1.00 2.00 H new ATOM 0 HB3 LYS A 35 -4.559 -2.423 4.611 1.00 2.00 H new ATOM 0 HG2 LYS A 35 -5.175 -0.049 4.618 1.00 2.00 H new ATOM 0 HG3 LYS A 35 -6.758 -0.418 5.274 1.00 2.00 H new ATOM 0 HD2 LYS A 35 -4.216 -1.121 6.786 1.00 2.00 H new ATOM 0 HD3 LYS A 35 -4.930 0.476 6.893 1.00 2.00 H new ATOM 0 HE2 LYS A 35 -7.072 -0.561 7.728 1.00 2.00 H new ATOM 0 HE3 LYS A 35 -6.315 -2.140 7.667 1.00 2.00 H new ATOM 0 HZ1 LYS A 35 -6.161 -1.179 9.870 1.00 2.00 H new ATOM 0 HZ2 LYS A 35 -4.611 -1.352 9.199 1.00 2.00 H new ATOM 0 HZ3 LYS A 35 -5.345 0.178 9.258 1.00 2.00 H new ATOM 560 N ARG A 36 -5.742 -0.419 2.012 1.00 2.00 N ATOM 561 CA ARG A 36 -5.154 0.409 0.922 1.00 2.00 C ATOM 562 C ARG A 36 -4.769 1.744 1.666 1.00 2.00 C ATOM 563 O ARG A 36 -5.567 2.294 2.438 1.00 2.00 O ATOM 564 CB ARG A 36 -6.079 0.577 -0.312 1.00 2.00 C ATOM 565 CG ARG A 36 -6.054 -0.497 -1.434 1.00 2.00 C ATOM 566 CD ARG A 36 -7.345 -0.760 -2.253 1.00 2.00 C ATOM 567 NE ARG A 36 -8.146 0.452 -2.597 1.00 2.00 N ATOM 568 CZ ARG A 36 -9.371 0.444 -3.119 1.00 2.00 C ATOM 569 NH1 ARG A 36 -9.912 -0.592 -3.687 1.00 2.00 N ATOM 570 NH2 ARG A 36 -10.078 1.523 -3.051 1.00 2.00 N ATOM 0 H ARG A 36 -6.258 0.132 2.698 1.00 2.00 H new ATOM 0 HA ARG A 36 -4.288 -0.054 0.449 1.00 2.00 H new ATOM 0 HB2 ARG A 36 -7.104 0.645 0.054 1.00 2.00 H new ATOM 0 HB3 ARG A 36 -5.841 1.536 -0.772 1.00 2.00 H new ATOM 0 HG2 ARG A 36 -5.269 -0.220 -2.137 1.00 2.00 H new ATOM 0 HG3 ARG A 36 -5.755 -1.441 -0.979 1.00 2.00 H new ATOM 0 HD2 ARG A 36 -7.071 -1.267 -3.178 1.00 2.00 H new ATOM 0 HD3 ARG A 36 -7.979 -1.445 -1.690 1.00 2.00 H new ATOM 0 HE ARG A 36 -7.720 1.361 -2.417 1.00 2.00 H new ATOM 0 HH11 ARG A 36 -9.392 -1.467 -3.753 1.00 2.00 H new ATOM 0 HH12 ARG A 36 -10.856 -0.530 -4.067 1.00 2.00 H new ATOM 0 HH21 ARG A 36 -9.695 2.356 -2.605 1.00 2.00 H new ATOM 0 HH22 ARG A 36 -11.019 1.542 -3.444 1.00 2.00 H new ATOM 584 N GLY A 37 -3.553 2.272 1.479 1.00 2.00 N ATOM 585 CA GLY A 37 -3.139 3.528 2.162 1.00 2.00 C ATOM 586 C GLY A 37 -2.066 4.394 1.475 1.00 2.00 C ATOM 587 O GLY A 37 -2.039 4.519 0.252 1.00 2.00 O ATOM 0 H GLY A 37 -2.841 1.865 0.873 1.00 2.00 H new ATOM 0 HA2 GLY A 37 -4.028 4.143 2.302 1.00 2.00 H new ATOM 0 HA3 GLY A 37 -2.774 3.266 3.155 1.00 2.00 H new ATOM 591 N CYS A 38 -1.226 5.053 2.287 1.00 2.00 N ATOM 592 CA CYS A 38 -0.130 5.933 1.801 1.00 2.00 C ATOM 593 C CYS A 38 1.241 5.571 2.477 1.00 2.00 C ATOM 594 O CYS A 38 1.328 5.435 3.702 1.00 2.00 O ATOM 595 CB CYS A 38 -0.540 7.400 2.059 1.00 2.00 C ATOM 596 SG CYS A 38 -0.275 7.837 3.791 1.00 2.00 S ATOM 0 H CYS A 38 -1.280 4.997 3.304 1.00 2.00 H new ATOM 0 HA CYS A 38 0.020 5.786 0.731 1.00 2.00 H new ATOM 0 HB2 CYS A 38 0.040 8.064 1.418 1.00 2.00 H new ATOM 0 HB3 CYS A 38 -1.589 7.542 1.799 1.00 2.00 H new ATOM 601 N ILE A 39 2.323 5.440 1.695 1.00 2.00 N ATOM 602 CA ILE A 39 3.688 5.092 2.219 1.00 2.00 C ATOM 603 C ILE A 39 4.849 5.503 1.238 1.00 2.00 C ATOM 604 O ILE A 39 4.614 5.899 0.103 1.00 2.00 O ATOM 605 CB ILE A 39 3.737 3.541 2.502 1.00 2.00 C ATOM 606 CG1 ILE A 39 4.882 3.101 3.460 1.00 2.00 C ATOM 607 CG2 ILE A 39 3.745 2.729 1.168 1.00 2.00 C ATOM 608 CD1 ILE A 39 4.774 3.668 4.888 1.00 2.00 C ATOM 0 H ILE A 39 2.296 5.568 0.683 1.00 2.00 H new ATOM 0 HA ILE A 39 3.850 5.660 3.135 1.00 2.00 H new ATOM 0 HB ILE A 39 2.820 3.308 3.042 1.00 2.00 H new ATOM 0 HG12 ILE A 39 4.894 2.012 3.515 1.00 2.00 H new ATOM 0 HG13 ILE A 39 5.836 3.409 3.031 1.00 2.00 H new ATOM 0 HG21 ILE A 39 3.779 1.663 1.391 1.00 2.00 H new ATOM 0 HG22 ILE A 39 2.841 2.952 0.601 1.00 2.00 H new ATOM 0 HG23 ILE A 39 4.620 3.005 0.580 1.00 2.00 H new ATOM 0 HD11 ILE A 39 5.612 3.310 5.486 1.00 2.00 H new ATOM 0 HD12 ILE A 39 4.795 4.757 4.850 1.00 2.00 H new ATOM 0 HD13 ILE A 39 3.839 3.339 5.341 1.00 2.00 H new ATOM 620 N ASP A 40 6.116 5.383 1.653 1.00 2.00 N ATOM 621 CA ASP A 40 7.311 5.732 0.820 1.00 2.00 C ATOM 622 C ASP A 40 7.941 4.515 0.060 1.00 2.00 C ATOM 623 O ASP A 40 8.221 4.649 -1.131 1.00 2.00 O ATOM 624 CB ASP A 40 8.414 6.547 1.582 1.00 2.00 C ATOM 625 CG ASP A 40 8.212 6.918 3.050 1.00 2.00 C ATOM 626 OD1 ASP A 40 8.109 6.087 3.945 1.00 2.00 O ATOM 627 OD2 ASP A 40 8.092 8.258 3.245 1.00 2.00 O ATOM 0 H ASP A 40 6.360 5.039 2.582 1.00 2.00 H new ATOM 0 HA ASP A 40 6.894 6.397 0.064 1.00 2.00 H new ATOM 0 HB2 ASP A 40 9.341 5.978 1.516 1.00 2.00 H new ATOM 0 HB3 ASP A 40 8.570 7.475 1.032 1.00 2.00 H new ATOM 633 N VAL A 41 8.154 3.355 0.722 1.00 2.00 N ATOM 634 CA VAL A 41 8.764 2.131 0.078 1.00 2.00 C ATOM 635 C VAL A 41 7.975 0.789 0.322 1.00 2.00 C ATOM 636 O VAL A 41 8.555 -0.273 0.106 1.00 2.00 O ATOM 637 CB VAL A 41 10.287 2.107 0.559 1.00 2.00 C ATOM 638 CG1 VAL A 41 11.174 0.936 0.058 1.00 2.00 C ATOM 639 CG2 VAL A 41 11.126 3.366 0.190 1.00 2.00 C ATOM 0 H VAL A 41 7.917 3.224 1.705 1.00 2.00 H new ATOM 0 HA VAL A 41 8.703 2.201 -1.008 1.00 2.00 H new ATOM 0 HB VAL A 41 10.092 2.021 1.628 1.00 2.00 H new ATOM 0 HG11 VAL A 41 12.181 1.045 0.460 1.00 2.00 H new ATOM 0 HG12 VAL A 41 10.750 -0.011 0.393 1.00 2.00 H new ATOM 0 HG13 VAL A 41 11.215 0.951 -1.031 1.00 2.00 H new ATOM 0 HG21 VAL A 41 12.143 3.247 0.563 1.00 2.00 H new ATOM 0 HG22 VAL A 41 11.148 3.484 -0.893 1.00 2.00 H new ATOM 0 HG23 VAL A 41 10.675 4.249 0.642 1.00 2.00 H new ATOM 649 N CYS A 42 6.629 0.764 0.584 1.00 2.00 N ATOM 650 CA CYS A 42 5.840 -0.516 0.843 1.00 2.00 C ATOM 651 C CYS A 42 6.249 -0.667 2.384 1.00 2.00 C ATOM 652 O CYS A 42 7.448 -0.832 2.629 1.00 2.00 O ATOM 653 CB CYS A 42 6.052 -1.634 -0.206 1.00 2.00 C ATOM 654 SG CYS A 42 6.268 -0.888 -1.851 1.00 2.00 S ATOM 0 H CYS A 42 6.057 1.608 0.624 1.00 2.00 H new ATOM 0 HA CYS A 42 4.759 -0.542 0.707 1.00 2.00 H new ATOM 0 HB2 CYS A 42 6.928 -2.229 0.053 1.00 2.00 H new ATOM 0 HB3 CYS A 42 5.197 -2.310 -0.211 1.00 2.00 H new ATOM 659 N PRO A 43 5.410 -0.571 3.465 1.00 2.00 N ATOM 660 CA PRO A 43 5.897 -0.703 4.870 1.00 2.00 C ATOM 661 C PRO A 43 7.062 -1.656 5.297 1.00 2.00 C ATOM 662 O PRO A 43 8.240 -1.295 5.260 1.00 2.00 O ATOM 663 CB PRO A 43 4.596 -0.693 5.712 1.00 2.00 C ATOM 664 CG PRO A 43 3.529 -0.046 4.832 1.00 2.00 C ATOM 665 CD PRO A 43 3.951 -0.384 3.399 1.00 2.00 C ATOM 0 HA PRO A 43 6.576 0.126 5.071 1.00 2.00 H new ATOM 0 HB2 PRO A 43 4.307 -1.705 5.995 1.00 2.00 H new ATOM 0 HB3 PRO A 43 4.733 -0.131 6.636 1.00 2.00 H new ATOM 0 HG2 PRO A 43 2.538 -0.440 5.057 1.00 2.00 H new ATOM 0 HG3 PRO A 43 3.486 1.032 4.989 1.00 2.00 H new ATOM 0 HD2 PRO A 43 3.453 -1.286 3.043 1.00 2.00 H new ATOM 0 HD3 PRO A 43 3.687 0.418 2.710 1.00 2.00 H new ATOM 673 N LYS A 44 6.699 -2.830 5.769 1.00 2.00 N ATOM 674 CA LYS A 44 7.620 -3.893 6.227 1.00 2.00 C ATOM 675 C LYS A 44 6.650 -5.112 6.112 1.00 2.00 C ATOM 676 O LYS A 44 5.787 -5.355 6.965 1.00 2.00 O ATOM 677 CB LYS A 44 8.232 -3.707 7.646 1.00 2.00 C ATOM 678 CG LYS A 44 9.470 -2.778 7.700 1.00 2.00 C ATOM 679 CD LYS A 44 10.341 -2.973 8.961 1.00 2.00 C ATOM 680 CE LYS A 44 11.526 -1.997 9.073 1.00 2.00 C ATOM 681 NZ LYS A 44 12.559 -2.255 8.049 1.00 2.00 N ATOM 0 H LYS A 44 5.719 -3.098 5.855 1.00 2.00 H new ATOM 0 HA LYS A 44 8.544 -3.956 5.653 1.00 2.00 H new ATOM 0 HB2 LYS A 44 7.465 -3.306 8.308 1.00 2.00 H new ATOM 0 HB3 LYS A 44 8.511 -4.685 8.037 1.00 2.00 H new ATOM 0 HG2 LYS A 44 10.083 -2.953 6.816 1.00 2.00 H new ATOM 0 HG3 LYS A 44 9.137 -1.741 7.657 1.00 2.00 H new ATOM 0 HD2 LYS A 44 9.711 -2.863 9.843 1.00 2.00 H new ATOM 0 HD3 LYS A 44 10.725 -3.993 8.969 1.00 2.00 H new ATOM 0 HE2 LYS A 44 11.163 -0.974 8.971 1.00 2.00 H new ATOM 0 HE3 LYS A 44 11.971 -2.080 10.065 1.00 2.00 H new ATOM 0 HZ1 LYS A 44 13.337 -1.575 8.162 1.00 2.00 H new ATOM 0 HZ2 LYS A 44 12.925 -3.222 8.161 1.00 2.00 H new ATOM 0 HZ3 LYS A 44 12.143 -2.150 7.102 1.00 2.00 H new ATOM 694 N ASN A 45 6.733 -5.819 4.981 1.00 2.00 N ATOM 695 CA ASN A 45 5.884 -7.000 4.699 1.00 2.00 C ATOM 696 C ASN A 45 6.192 -8.328 5.482 1.00 2.00 C ATOM 697 O ASN A 45 6.914 -8.352 6.479 1.00 2.00 O ATOM 698 CB ASN A 45 5.864 -7.083 3.133 1.00 2.00 C ATOM 699 CG ASN A 45 7.112 -7.634 2.438 1.00 2.00 C ATOM 700 OD1 ASN A 45 8.140 -6.977 2.367 1.00 2.00 O ATOM 701 ND2 ASN A 45 7.072 -8.823 1.897 1.00 2.00 N ATOM 0 H ASN A 45 7.387 -5.596 4.231 1.00 2.00 H new ATOM 0 HA ASN A 45 4.883 -6.867 5.109 1.00 2.00 H new ATOM 0 HB2 ASN A 45 5.015 -7.701 2.840 1.00 2.00 H new ATOM 0 HB3 ASN A 45 5.678 -6.081 2.745 1.00 2.00 H new ATOM 0 HD21 ASN A 45 7.894 -9.195 1.421 1.00 2.00 H new ATOM 0 HD22 ASN A 45 6.219 -9.379 1.951 1.00 2.00 H new ATOM 708 N SER A 46 5.576 -9.436 5.037 1.00 2.00 N ATOM 709 CA SER A 46 5.717 -10.802 5.618 1.00 2.00 C ATOM 710 C SER A 46 4.886 -11.152 6.883 1.00 2.00 C ATOM 711 O SER A 46 4.373 -12.272 6.935 1.00 2.00 O ATOM 712 CB SER A 46 7.185 -11.296 5.692 1.00 2.00 C ATOM 713 OG SER A 46 7.244 -12.719 5.832 1.00 2.00 O ATOM 0 H SER A 46 4.943 -9.416 4.237 1.00 2.00 H new ATOM 0 HA SER A 46 5.208 -11.399 4.861 1.00 2.00 H new ATOM 0 HB2 SER A 46 7.719 -10.994 4.791 1.00 2.00 H new ATOM 0 HB3 SER A 46 7.689 -10.823 6.535 1.00 2.00 H new ATOM 0 HG SER A 46 8.180 -13.005 5.875 1.00 2.00 H new ATOM 719 N LEU A 47 4.750 -10.259 7.889 1.00 2.00 N ATOM 720 CA LEU A 47 3.952 -10.535 9.139 1.00 2.00 C ATOM 721 C LEU A 47 2.507 -11.101 8.839 1.00 2.00 C ATOM 722 O LEU A 47 2.101 -12.146 9.347 1.00 2.00 O ATOM 723 CB LEU A 47 4.062 -9.307 10.091 1.00 2.00 C ATOM 724 CG LEU A 47 3.470 -7.938 9.631 1.00 2.00 C ATOM 725 CD1 LEU A 47 2.089 -7.675 10.255 1.00 2.00 C ATOM 726 CD2 LEU A 47 4.400 -6.772 10.007 1.00 2.00 C ATOM 0 H LEU A 47 5.178 -9.333 7.874 1.00 2.00 H new ATOM 0 HA LEU A 47 4.380 -11.370 9.694 1.00 2.00 H new ATOM 0 HB2 LEU A 47 3.580 -9.575 11.031 1.00 2.00 H new ATOM 0 HB3 LEU A 47 5.119 -9.152 10.308 1.00 2.00 H new ATOM 0 HG LEU A 47 3.371 -7.998 8.547 1.00 2.00 H new ATOM 0 HD11 LEU A 47 1.711 -6.713 9.910 1.00 2.00 H new ATOM 0 HD12 LEU A 47 1.399 -8.464 9.956 1.00 2.00 H new ATOM 0 HD13 LEU A 47 2.177 -7.662 11.341 1.00 2.00 H new ATOM 0 HD21 LEU A 47 3.959 -5.833 9.673 1.00 2.00 H new ATOM 0 HD22 LEU A 47 4.532 -6.746 11.089 1.00 2.00 H new ATOM 0 HD23 LEU A 47 5.369 -6.910 9.526 1.00 2.00 H new ATOM 738 N LEU A 48 1.791 -10.389 7.962 1.00 2.00 N ATOM 739 CA LEU A 48 0.412 -10.691 7.485 1.00 2.00 C ATOM 740 C LEU A 48 0.219 -10.016 6.060 1.00 2.00 C ATOM 741 O LEU A 48 -0.925 -9.748 5.678 1.00 2.00 O ATOM 742 CB LEU A 48 -0.658 -10.152 8.497 1.00 2.00 C ATOM 743 CG LEU A 48 -0.766 -10.787 9.907 1.00 2.00 C ATOM 744 CD1 LEU A 48 -1.702 -9.952 10.793 1.00 2.00 C ATOM 745 CD2 LEU A 48 -1.267 -12.239 9.858 1.00 2.00 C ATOM 0 H LEU A 48 2.165 -9.541 7.536 1.00 2.00 H new ATOM 0 HA LEU A 48 0.277 -11.770 7.409 1.00 2.00 H new ATOM 0 HB2 LEU A 48 -0.471 -9.087 8.632 1.00 2.00 H new ATOM 0 HB3 LEU A 48 -1.634 -10.247 8.021 1.00 2.00 H new ATOM 0 HG LEU A 48 0.239 -10.797 10.330 1.00 2.00 H new ATOM 0 HD11 LEU A 48 -1.770 -10.408 11.781 1.00 2.00 H new ATOM 0 HD12 LEU A 48 -1.308 -8.940 10.886 1.00 2.00 H new ATOM 0 HD13 LEU A 48 -2.693 -9.915 10.341 1.00 2.00 H new ATOM 0 HD21 LEU A 48 -1.325 -12.638 10.871 1.00 2.00 H new ATOM 0 HD22 LEU A 48 -2.255 -12.268 9.399 1.00 2.00 H new ATOM 0 HD23 LEU A 48 -0.576 -12.843 9.269 1.00 2.00 H new ATOM 757 N VAL A 49 1.266 -9.785 5.209 1.00 2.00 N ATOM 758 CA VAL A 49 1.108 -9.131 3.865 1.00 2.00 C ATOM 759 C VAL A 49 2.330 -9.142 2.860 1.00 2.00 C ATOM 760 O VAL A 49 3.477 -9.436 3.184 1.00 2.00 O ATOM 761 CB VAL A 49 0.778 -7.610 4.234 1.00 2.00 C ATOM 762 CG1 VAL A 49 1.907 -6.841 4.966 1.00 2.00 C ATOM 763 CG2 VAL A 49 0.281 -6.705 3.093 1.00 2.00 C ATOM 0 H VAL A 49 2.229 -10.041 5.428 1.00 2.00 H new ATOM 0 HA VAL A 49 0.357 -9.700 3.317 1.00 2.00 H new ATOM 0 HB VAL A 49 -0.054 -7.791 4.914 1.00 2.00 H new ATOM 0 HG11 VAL A 49 1.580 -5.821 5.169 1.00 2.00 H new ATOM 0 HG12 VAL A 49 2.138 -7.342 5.906 1.00 2.00 H new ATOM 0 HG13 VAL A 49 2.798 -6.818 4.338 1.00 2.00 H new ATOM 0 HG21 VAL A 49 0.095 -5.703 3.478 1.00 2.00 H new ATOM 0 HG22 VAL A 49 1.038 -6.658 2.310 1.00 2.00 H new ATOM 0 HG23 VAL A 49 -0.642 -7.113 2.681 1.00 2.00 H new ATOM 773 N LYS A 50 2.029 -8.764 1.613 1.00 2.00 N ATOM 774 CA LYS A 50 2.956 -8.650 0.452 1.00 2.00 C ATOM 775 C LYS A 50 2.339 -7.437 -0.352 1.00 2.00 C ATOM 776 O LYS A 50 1.711 -7.592 -1.398 1.00 2.00 O ATOM 777 CB LYS A 50 3.185 -9.985 -0.291 1.00 2.00 C ATOM 778 CG LYS A 50 4.200 -9.878 -1.460 1.00 2.00 C ATOM 779 CD LYS A 50 5.015 -11.157 -1.740 1.00 2.00 C ATOM 780 CE LYS A 50 4.192 -12.360 -2.226 1.00 2.00 C ATOM 781 NZ LYS A 50 5.120 -13.471 -2.522 1.00 2.00 N ATOM 0 H LYS A 50 1.074 -8.511 1.358 1.00 2.00 H new ATOM 0 HA LYS A 50 3.996 -8.442 0.705 1.00 2.00 H new ATOM 0 HB2 LYS A 50 3.540 -10.731 0.420 1.00 2.00 H new ATOM 0 HB3 LYS A 50 2.232 -10.343 -0.680 1.00 2.00 H new ATOM 0 HG2 LYS A 50 3.659 -9.605 -2.366 1.00 2.00 H new ATOM 0 HG3 LYS A 50 4.893 -9.064 -1.245 1.00 2.00 H new ATOM 0 HD2 LYS A 50 5.774 -10.929 -2.489 1.00 2.00 H new ATOM 0 HD3 LYS A 50 5.541 -11.441 -0.829 1.00 2.00 H new ATOM 0 HE2 LYS A 50 3.472 -12.660 -1.464 1.00 2.00 H new ATOM 0 HE3 LYS A 50 3.622 -12.095 -3.116 1.00 2.00 H new ATOM 0 HZ1 LYS A 50 4.580 -14.296 -2.853 1.00 2.00 H new ATOM 0 HZ2 LYS A 50 5.790 -13.176 -3.261 1.00 2.00 H new ATOM 0 HZ3 LYS A 50 5.645 -13.724 -1.660 1.00 2.00 H new ATOM 794 N TYR A 51 2.536 -6.207 0.176 1.00 2.00 N ATOM 795 CA TYR A 51 2.035 -4.931 -0.404 1.00 2.00 C ATOM 796 C TYR A 51 2.345 -4.568 -1.902 1.00 2.00 C ATOM 797 O TYR A 51 3.501 -4.499 -2.328 1.00 2.00 O ATOM 798 CB TYR A 51 2.578 -3.732 0.436 1.00 2.00 C ATOM 799 CG TYR A 51 2.391 -3.671 1.958 1.00 2.00 C ATOM 800 CD1 TYR A 51 1.259 -3.087 2.532 1.00 2.00 C ATOM 801 CD2 TYR A 51 3.446 -4.073 2.783 1.00 2.00 C ATOM 802 CE1 TYR A 51 1.182 -2.918 3.915 1.00 2.00 C ATOM 803 CE2 TYR A 51 3.364 -3.913 4.163 1.00 2.00 C ATOM 804 CZ TYR A 51 2.229 -3.341 4.728 1.00 2.00 C ATOM 805 OH TYR A 51 2.139 -3.191 6.085 1.00 2.00 O ATOM 0 H TYR A 51 3.061 -6.067 1.039 1.00 2.00 H new ATOM 0 HA TYR A 51 0.959 -5.104 -0.373 1.00 2.00 H new ATOM 0 HB2 TYR A 51 3.649 -3.671 0.246 1.00 2.00 H new ATOM 0 HB3 TYR A 51 2.129 -2.828 0.025 1.00 2.00 H new ATOM 0 HD1 TYR A 51 0.441 -2.766 1.904 1.00 2.00 H new ATOM 0 HD2 TYR A 51 4.331 -4.511 2.346 1.00 2.00 H new ATOM 0 HE1 TYR A 51 0.309 -2.459 4.355 1.00 2.00 H new ATOM 0 HE2 TYR A 51 4.180 -4.232 4.794 1.00 2.00 H new ATOM 0 HH TYR A 51 2.953 -3.538 6.507 1.00 2.00 H new ATOM 815 N VAL A 52 1.286 -4.264 -2.666 1.00 2.00 N ATOM 816 CA VAL A 52 1.378 -3.880 -4.109 1.00 2.00 C ATOM 817 C VAL A 52 1.252 -2.321 -4.017 1.00 2.00 C ATOM 818 O VAL A 52 0.207 -1.758 -3.698 1.00 2.00 O ATOM 819 CB VAL A 52 0.303 -4.604 -4.982 1.00 2.00 C ATOM 820 CG1 VAL A 52 0.198 -4.046 -6.423 1.00 2.00 C ATOM 821 CG2 VAL A 52 0.604 -6.114 -5.107 1.00 2.00 C ATOM 0 H VAL A 52 0.330 -4.273 -2.312 1.00 2.00 H new ATOM 0 HA VAL A 52 2.292 -4.183 -4.621 1.00 2.00 H new ATOM 0 HB VAL A 52 -0.637 -4.426 -4.460 1.00 2.00 H new ATOM 0 HG11 VAL A 52 -0.567 -4.596 -6.971 1.00 2.00 H new ATOM 0 HG12 VAL A 52 -0.070 -2.990 -6.386 1.00 2.00 H new ATOM 0 HG13 VAL A 52 1.157 -4.159 -6.928 1.00 2.00 H new ATOM 0 HG21 VAL A 52 -0.162 -6.588 -5.720 1.00 2.00 H new ATOM 0 HG22 VAL A 52 1.579 -6.253 -5.573 1.00 2.00 H new ATOM 0 HG23 VAL A 52 0.608 -6.568 -4.116 1.00 2.00 H new ATOM 831 N CYS A 53 2.325 -1.599 -4.305 1.00 2.00 N ATOM 832 CA CYS A 53 2.363 -0.118 -4.246 1.00 2.00 C ATOM 833 C CYS A 53 2.785 0.670 -5.536 1.00 2.00 C ATOM 834 O CYS A 53 3.755 0.306 -6.204 1.00 2.00 O ATOM 835 CB CYS A 53 3.409 0.009 -3.086 1.00 2.00 C ATOM 836 SG CYS A 53 4.757 -1.244 -3.122 1.00 2.00 S ATOM 0 H CYS A 53 3.211 -2.015 -4.591 1.00 2.00 H new ATOM 0 HA CYS A 53 1.379 0.331 -4.115 1.00 2.00 H new ATOM 0 HB2 CYS A 53 3.855 1.003 -3.125 1.00 2.00 H new ATOM 0 HB3 CYS A 53 2.885 -0.069 -2.133 1.00 2.00 H new ATOM 841 N CYS A 54 2.064 1.770 -5.866 1.00 2.00 N ATOM 842 CA CYS A 54 2.353 2.621 -7.062 1.00 2.00 C ATOM 843 C CYS A 54 2.465 4.139 -6.647 1.00 2.00 C ATOM 844 O CYS A 54 1.581 4.725 -6.020 1.00 2.00 O ATOM 845 CB CYS A 54 1.471 2.257 -8.268 1.00 2.00 C ATOM 846 SG CYS A 54 -0.295 2.283 -7.952 1.00 2.00 S ATOM 0 H CYS A 54 1.268 2.097 -5.318 1.00 2.00 H new ATOM 0 HA CYS A 54 3.344 2.398 -7.458 1.00 2.00 H new ATOM 0 HB2 CYS A 54 1.690 2.950 -9.081 1.00 2.00 H new ATOM 0 HB3 CYS A 54 1.748 1.261 -8.614 1.00 2.00 H new ATOM 851 N ASN A 55 3.607 4.745 -7.004 1.00 2.00 N ATOM 852 CA ASN A 55 4.010 6.165 -6.747 1.00 2.00 C ATOM 853 C ASN A 55 3.203 7.470 -7.090 1.00 2.00 C ATOM 854 O ASN A 55 3.828 8.513 -7.325 1.00 2.00 O ATOM 855 CB ASN A 55 5.484 6.233 -7.282 1.00 2.00 C ATOM 856 CG ASN A 55 5.695 6.180 -8.804 1.00 2.00 C ATOM 857 OD1 ASN A 55 5.239 5.274 -9.491 1.00 2.00 O ATOM 858 ND2 ASN A 55 6.421 7.101 -9.381 1.00 2.00 N ATOM 0 H ASN A 55 4.330 4.237 -7.513 1.00 2.00 H new ATOM 0 HA ASN A 55 3.782 6.273 -5.687 1.00 2.00 H new ATOM 0 HB2 ASN A 55 5.932 7.156 -6.913 1.00 2.00 H new ATOM 0 HB3 ASN A 55 6.041 5.408 -6.837 1.00 2.00 H new ATOM 0 HD21 ASN A 55 6.598 7.056 -10.385 1.00 2.00 H new ATOM 0 HD22 ASN A 55 6.810 7.864 -8.828 1.00 2.00 H new ATOM 865 N THR A 56 1.862 7.498 -7.068 1.00 2.00 N ATOM 866 CA THR A 56 1.089 8.743 -7.394 1.00 2.00 C ATOM 867 C THR A 56 -0.289 8.855 -6.659 1.00 2.00 C ATOM 868 O THR A 56 -0.764 7.937 -5.980 1.00 2.00 O ATOM 869 CB THR A 56 1.055 8.975 -8.948 1.00 2.00 C ATOM 870 OG1 THR A 56 0.591 10.286 -9.244 1.00 2.00 O ATOM 871 CG2 THR A 56 0.199 8.012 -9.782 1.00 2.00 C ATOM 0 H THR A 56 1.281 6.693 -6.833 1.00 2.00 H new ATOM 0 HA THR A 56 1.627 9.592 -6.973 1.00 2.00 H new ATOM 0 HB THR A 56 2.092 8.798 -9.233 1.00 2.00 H new ATOM 0 HG1 THR A 56 0.577 10.417 -10.215 1.00 2.00 H new ATOM 0 HG21 THR A 56 0.265 8.285 -10.835 1.00 2.00 H new ATOM 0 HG22 THR A 56 0.562 6.993 -9.648 1.00 2.00 H new ATOM 0 HG23 THR A 56 -0.839 8.073 -9.456 1.00 2.00 H new ATOM 879 N ASP A 57 -0.915 10.041 -6.758 1.00 2.00 N ATOM 880 CA ASP A 57 -2.229 10.344 -6.130 1.00 2.00 C ATOM 881 C ASP A 57 -3.400 9.454 -6.653 1.00 2.00 C ATOM 882 O ASP A 57 -3.739 9.476 -7.839 1.00 2.00 O ATOM 883 CB ASP A 57 -2.555 11.847 -6.323 1.00 2.00 C ATOM 884 CG ASP A 57 -1.649 12.817 -5.569 1.00 2.00 C ATOM 885 OD1 ASP A 57 -1.632 12.931 -4.346 1.00 2.00 O ATOM 886 OD2 ASP A 57 -0.859 13.538 -6.408 1.00 2.00 O ATOM 0 H ASP A 57 -0.526 10.827 -7.279 1.00 2.00 H new ATOM 0 HA ASP A 57 -2.136 10.109 -5.070 1.00 2.00 H new ATOM 0 HB2 ASP A 57 -2.501 12.079 -7.387 1.00 2.00 H new ATOM 0 HB3 ASP A 57 -3.585 12.021 -6.010 1.00 2.00 H new ATOM 892 N ARG A 58 -4.022 8.683 -5.745 1.00 2.00 N ATOM 893 CA ARG A 58 -5.162 7.765 -6.063 1.00 2.00 C ATOM 894 C ARG A 58 -4.863 6.536 -7.002 1.00 2.00 C ATOM 895 O ARG A 58 -5.801 5.909 -7.500 1.00 2.00 O ATOM 896 CB ARG A 58 -6.426 8.605 -6.443 1.00 2.00 C ATOM 897 CG ARG A 58 -7.088 9.338 -5.249 1.00 2.00 C ATOM 898 CD ARG A 58 -8.387 10.082 -5.628 1.00 2.00 C ATOM 899 NE ARG A 58 -9.364 9.954 -4.511 1.00 2.00 N ATOM 900 CZ ARG A 58 -9.651 10.857 -3.589 1.00 2.00 C ATOM 901 NH1 ARG A 58 -9.169 12.069 -3.576 1.00 2.00 N ATOM 902 NH2 ARG A 58 -10.462 10.502 -2.648 1.00 2.00 N ATOM 0 H ARG A 58 -3.757 8.669 -4.760 1.00 2.00 H new ATOM 0 HA ARG A 58 -5.372 7.222 -5.142 1.00 2.00 H new ATOM 0 HB2 ARG A 58 -6.145 9.342 -7.196 1.00 2.00 H new ATOM 0 HB3 ARG A 58 -7.162 7.945 -6.902 1.00 2.00 H new ATOM 0 HG2 ARG A 58 -7.309 8.613 -4.465 1.00 2.00 H new ATOM 0 HG3 ARG A 58 -6.378 10.052 -4.832 1.00 2.00 H new ATOM 0 HD2 ARG A 58 -8.175 11.133 -5.824 1.00 2.00 H new ATOM 0 HD3 ARG A 58 -8.806 9.665 -6.544 1.00 2.00 H new ATOM 0 HE ARG A 58 -9.869 9.070 -4.451 1.00 2.00 H new ATOM 0 HH11 ARG A 58 -8.527 12.371 -4.309 1.00 2.00 H new ATOM 0 HH12 ARG A 58 -9.434 12.715 -2.832 1.00 2.00 H new ATOM 0 HH21 ARG A 58 -10.851 9.559 -2.639 1.00 2.00 H new ATOM 0 HH22 ARG A 58 -10.713 11.165 -1.914 1.00 2.00 H new ATOM 916 N CYS A 59 -3.588 6.132 -7.170 1.00 2.00 N ATOM 917 CA CYS A 59 -3.201 4.982 -8.033 1.00 2.00 C ATOM 918 C CYS A 59 -3.734 3.563 -7.598 1.00 2.00 C ATOM 919 O CYS A 59 -3.982 2.704 -8.446 1.00 2.00 O ATOM 920 CB CYS A 59 -1.666 5.036 -8.131 1.00 2.00 C ATOM 921 SG CYS A 59 -1.121 3.655 -9.146 1.00 2.00 S ATOM 0 H CYS A 59 -2.796 6.587 -6.716 1.00 2.00 H new ATOM 0 HA CYS A 59 -3.689 5.095 -9.001 1.00 2.00 H new ATOM 0 HB2 CYS A 59 -1.346 5.981 -8.570 1.00 2.00 H new ATOM 0 HB3 CYS A 59 -1.219 4.978 -7.138 1.00 2.00 H new ATOM 926 N ASN A 60 -3.889 3.307 -6.288 1.00 2.00 N ATOM 927 CA ASN A 60 -4.384 2.017 -5.741 1.00 2.00 C ATOM 928 C ASN A 60 -5.885 1.707 -6.061 1.00 2.00 C ATOM 929 O ASN A 60 -6.848 2.311 -5.586 1.00 2.00 O ATOM 930 CB ASN A 60 -4.091 1.940 -4.216 1.00 2.00 C ATOM 931 CG ASN A 60 -4.476 3.111 -3.288 1.00 2.00 C ATOM 932 OD1 ASN A 60 -5.061 4.123 -3.654 1.00 2.00 O ATOM 933 ND2 ASN A 60 -4.073 3.059 -2.050 1.00 2.00 N ATOM 934 OXT ASN A 60 -6.023 0.647 -6.910 1.00 0.00 O ATOM 0 H ASN A 60 -3.674 3.993 -5.565 1.00 2.00 H new ATOM 0 HA ASN A 60 -3.831 1.232 -6.257 1.00 2.00 H new ATOM 0 HB2 ASN A 60 -4.592 1.049 -3.836 1.00 2.00 H new ATOM 0 HB3 ASN A 60 -3.019 1.777 -4.101 1.00 2.00 H new ATOM 0 HD21 ASN A 60 -4.248 3.844 -1.423 1.00 2.00 H new ATOM 0 HD22 ASN A 60 -3.582 2.233 -1.708 1.00 2.00 H new TER 942 ASN A 60