USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 487 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 24 MET CE :methyl -140:sc=-0.00769 (180deg=-0.765) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 1 LEU N :NH3+ 133:sc= 0.152 (180deg=0) USER MOD Set 2.2: A 19 ASN : amide:sc= 0.0782 K(o=0.23,f=-2.7!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -3.22 K(o=-3.2,f=-9.5!) USER MOD Single : A 5 LYS NZ :NH3+ 146:sc= -0.313 (180deg=-1.53!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -138:sc= 0.11 (180deg=-0.247) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -128:sc= 1.05 (180deg=-1.54!) USER MOD Single : A 26 MET CE :methyl 151:sc= 0 (180deg=-0.195) USER MOD Single : A 27 MET CE :methyl -148:sc= -0.286 (180deg=-1.12) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0111 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= -1.76! C(o=-1.8!,f=-9.6!) USER MOD Single : A 46 SER OG : rot -5:sc= 0.297 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.355 K(o=-0.36,f=-3.7!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -2.07! USER MOD Single : A 60 ASN : amide:sc= -2.46! C(o=-2.5!,f=-20!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.563 12.068 -2.265 1.00 0.00 N ATOM 2 CA LEU A 1 5.505 11.084 -1.199 1.00 0.00 C ATOM 3 C LEU A 1 6.412 9.902 -1.550 1.00 0.00 C ATOM 4 O LEU A 1 6.520 9.524 -2.716 1.00 0.00 O ATOM 5 CB LEU A 1 4.056 10.683 -0.917 1.00 0.00 C ATOM 6 CG LEU A 1 3.478 11.151 0.421 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.954 11.260 0.352 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.937 10.244 1.564 1.00 0.00 C ATOM 0 H1 LEU A 1 4.599 12.368 -2.514 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.111 12.893 -1.947 1.00 0.00 H new ATOM 0 H3 LEU A 1 6.021 11.649 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 1 5.881 11.510 -0.269 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.429 11.075 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.986 9.596 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 1 3.863 12.150 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.569 11.594 1.315 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.675 11.978 -0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.530 10.285 0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.512 10.599 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.601 9.224 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 1 5.025 10.262 1.628 1.00 0.00 H new ATOM 20 N LYS A 2 7.041 9.353 -0.521 1.00 0.00 N ATOM 21 CA LYS A 2 7.934 8.223 -0.708 1.00 0.00 C ATOM 22 C LYS A 2 7.234 6.943 -0.248 1.00 0.00 C ATOM 23 O LYS A 2 7.065 6.720 0.951 1.00 0.00 O ATOM 24 CB LYS A 2 9.273 8.477 -0.009 1.00 0.00 C ATOM 25 CG LYS A 2 9.978 9.698 -0.603 1.00 0.00 C ATOM 26 CD LYS A 2 11.278 9.293 -1.302 1.00 0.00 C ATOM 27 CE LYS A 2 12.347 10.374 -1.138 1.00 0.00 C ATOM 28 NZ LYS A 2 13.239 10.404 -2.319 1.00 0.00 N ATOM 0 H LYS A 2 6.950 9.670 0.444 1.00 0.00 H new ATOM 0 HA LYS A 2 8.170 8.095 -1.764 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.107 8.631 1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.912 7.599 -0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.317 10.194 -1.314 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.194 10.418 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.640 8.352 -0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.088 9.122 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.872 11.347 -1.009 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.931 10.182 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.959 11.143 -2.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.706 9.481 -2.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.680 10.609 -3.171 1.00 0.00 H new ATOM 42 N CYS A 3 6.846 6.135 -1.223 1.00 0.00 N ATOM 43 CA CYS A 3 6.167 4.884 -0.934 1.00 0.00 C ATOM 44 C CYS A 3 7.163 3.740 -1.137 1.00 0.00 C ATOM 45 O CYS A 3 8.042 3.821 -1.993 1.00 0.00 O ATOM 46 CB CYS A 3 4.913 4.707 -1.793 1.00 0.00 C ATOM 47 SG CYS A 3 3.934 6.234 -2.043 1.00 0.00 S ATOM 0 H CYS A 3 6.989 6.323 -2.215 1.00 0.00 H new ATOM 0 HA CYS A 3 5.821 4.886 0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.209 4.318 -2.767 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.275 3.955 -1.329 1.00 0.00 H new ATOM 52 N ASN A 4 6.991 2.700 -0.334 1.00 0.00 N ATOM 53 CA ASN A 4 7.864 1.541 -0.414 1.00 0.00 C ATOM 54 C ASN A 4 7.199 0.466 -1.277 1.00 0.00 C ATOM 55 O ASN A 4 6.017 0.570 -1.602 1.00 0.00 O ATOM 56 CB ASN A 4 8.118 0.945 0.972 1.00 0.00 C ATOM 57 CG ASN A 4 8.317 2.046 2.014 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.446 3.218 1.700 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.335 1.607 3.269 1.00 0.00 N ATOM 0 H ASN A 4 6.260 2.636 0.375 1.00 0.00 H new ATOM 0 HA ASN A 4 8.811 1.862 -0.847 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.277 0.314 1.260 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.000 0.305 0.941 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.463 2.265 4.038 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.221 0.612 3.463 1.00 0.00 H new ATOM 66 N LYS A 5 7.987 -0.541 -1.623 1.00 0.00 N ATOM 67 CA LYS A 5 7.489 -1.634 -2.441 1.00 0.00 C ATOM 68 C LYS A 5 6.961 -2.746 -1.532 1.00 0.00 C ATOM 69 O LYS A 5 6.613 -2.498 -0.379 1.00 0.00 O ATOM 70 CB LYS A 5 8.565 -2.101 -3.423 1.00 0.00 C ATOM 71 CG LYS A 5 9.258 -0.908 -4.086 1.00 0.00 C ATOM 72 CD LYS A 5 10.758 -0.907 -3.782 1.00 0.00 C ATOM 73 CE LYS A 5 11.547 -1.571 -4.912 1.00 0.00 C ATOM 74 NZ LYS A 5 11.243 -0.922 -6.207 1.00 0.00 N ATOM 0 H LYS A 5 8.967 -0.623 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 5 6.653 -1.300 -3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.302 -2.709 -2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.115 -2.735 -4.187 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.102 -0.945 -5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.811 0.020 -3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.104 0.117 -3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.943 -1.434 -2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.615 -1.503 -4.706 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.299 -2.631 -4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.093 -0.927 -6.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.480 -1.442 -6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.942 0.060 -6.041 1.00 0.00 H new ATOM 88 N LEU A 6 6.919 -3.949 -2.087 1.00 0.00 N ATOM 89 CA LEU A 6 6.438 -5.100 -1.341 1.00 0.00 C ATOM 90 C LEU A 6 7.144 -5.154 0.015 1.00 0.00 C ATOM 91 O LEU A 6 6.531 -5.498 1.025 1.00 0.00 O ATOM 92 CB LEU A 6 6.597 -6.378 -2.168 1.00 0.00 C ATOM 93 CG LEU A 6 5.690 -7.547 -1.776 1.00 0.00 C ATOM 94 CD1 LEU A 6 5.393 -8.439 -2.982 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.289 -8.338 -0.612 1.00 0.00 C ATOM 0 H LEU A 6 7.210 -4.151 -3.043 1.00 0.00 H new ATOM 0 HA LEU A 6 5.370 -5.007 -1.142 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.412 -6.135 -3.214 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.633 -6.708 -2.095 1.00 0.00 H new ATOM 0 HG LEU A 6 4.738 -7.141 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.747 -9.262 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.894 -7.853 -3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.327 -8.839 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.625 -9.163 -0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.262 -8.733 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.407 -7.682 0.251 1.00 0.00 H new ATOM 107 N VAL A 7 8.423 -4.808 -0.006 1.00 0.00 N ATOM 108 CA VAL A 7 9.219 -4.813 1.211 1.00 0.00 C ATOM 109 C VAL A 7 9.414 -3.375 1.692 1.00 0.00 C ATOM 110 O VAL A 7 9.765 -2.495 0.908 1.00 0.00 O ATOM 111 CB VAL A 7 10.540 -5.547 0.968 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.521 -5.302 2.116 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.305 -7.044 0.757 1.00 0.00 C ATOM 0 H VAL A 7 8.928 -4.523 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 7 8.703 -5.354 2.004 1.00 0.00 H new ATOM 0 HB VAL A 7 10.984 -5.147 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.452 -5.834 1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.724 -4.234 2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.087 -5.663 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.260 -7.542 0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.829 -7.466 1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.659 -7.192 -0.108 1.00 0.00 H new ATOM 123 N PRO A 8 9.177 -3.179 2.981 1.00 0.00 N ATOM 124 CA PRO A 8 9.677 -1.952 3.680 1.00 0.00 C ATOM 125 C PRO A 8 11.215 -1.661 3.758 1.00 0.00 C ATOM 126 O PRO A 8 11.767 -1.508 4.846 1.00 0.00 O ATOM 127 CB PRO A 8 9.026 -2.079 5.076 1.00 0.00 C ATOM 128 CG PRO A 8 7.902 -3.105 4.922 1.00 0.00 C ATOM 129 CD PRO A 8 8.419 -4.076 3.863 1.00 0.00 C ATOM 0 HA PRO A 8 9.401 -1.080 3.087 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.754 -2.406 5.818 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.635 -1.119 5.414 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.698 -3.615 5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.972 -2.632 4.607 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.049 -4.854 4.294 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.607 -4.578 3.337 1.00 0.00 H new ATOM 137 N ILE A 9 11.833 -1.600 2.587 1.00 0.00 N ATOM 138 CA ILE A 9 13.260 -1.338 2.507 1.00 0.00 C ATOM 139 C ILE A 9 13.540 -0.433 1.306 1.00 0.00 C ATOM 140 O ILE A 9 14.260 0.559 1.425 1.00 0.00 O ATOM 141 CB ILE A 9 14.046 -2.650 2.485 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.461 -2.451 3.033 1.00 0.00 C ATOM 143 CG2 ILE A 9 14.054 -3.261 1.082 1.00 0.00 C ATOM 144 CD1 ILE A 9 16.213 -1.386 2.232 1.00 0.00 C ATOM 0 H ILE A 9 11.372 -1.728 1.686 1.00 0.00 H new ATOM 0 HA ILE A 9 13.600 -0.805 3.395 1.00 0.00 H new ATOM 0 HB ILE A 9 13.544 -3.360 3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 9 15.411 -2.155 4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.006 -3.394 2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.619 -4.193 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.030 -3.462 0.767 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.518 -2.564 0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.216 -1.263 2.641 1.00 0.00 H new ATOM 0 HD12 ILE A 9 16.282 -1.696 1.189 1.00 0.00 H new ATOM 0 HD13 ILE A 9 15.678 -0.439 2.294 1.00 0.00 H new ATOM 156 N ALA A 10 12.959 -0.806 0.175 1.00 0.00 N ATOM 157 CA ALA A 10 13.138 -0.040 -1.047 1.00 0.00 C ATOM 158 C ALA A 10 11.875 0.780 -1.319 1.00 0.00 C ATOM 159 O ALA A 10 10.773 0.233 -1.368 1.00 0.00 O ATOM 160 CB ALA A 10 13.477 -0.988 -2.199 1.00 0.00 C ATOM 0 H ALA A 10 12.364 -1.629 0.079 1.00 0.00 H new ATOM 0 HA ALA A 10 13.969 0.658 -0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.611 -0.413 -3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.397 -1.525 -1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.664 -1.702 -2.334 1.00 0.00 H new ATOM 166 N TYR A 11 12.076 2.078 -1.489 1.00 0.00 N ATOM 167 CA TYR A 11 10.968 2.979 -1.755 1.00 0.00 C ATOM 168 C TYR A 11 11.388 4.101 -2.707 1.00 0.00 C ATOM 169 O TYR A 11 12.569 4.431 -2.798 1.00 0.00 O ATOM 170 CB TYR A 11 10.586 3.588 -0.405 1.00 0.00 C ATOM 171 CG TYR A 11 11.742 4.288 0.311 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.587 3.565 1.128 1.00 0.00 C ATOM 173 CD2 TYR A 11 11.941 5.643 0.139 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.675 4.224 1.803 1.00 0.00 C ATOM 175 CE2 TYR A 11 13.029 6.302 0.813 1.00 0.00 C ATOM 176 CZ TYR A 11 13.843 5.560 1.612 1.00 0.00 C ATOM 177 OH TYR A 11 14.871 6.183 2.248 1.00 0.00 O ATOM 0 H TYR A 11 12.991 2.528 -1.448 1.00 0.00 H new ATOM 0 HA TYR A 11 10.141 2.442 -2.221 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.779 4.305 -0.557 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.196 2.801 0.240 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.432 2.504 1.261 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.280 6.209 -0.501 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.342 3.670 2.446 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.195 7.362 0.687 1.00 0.00 H new ATOM 0 HH TYR A 11 14.869 7.135 2.017 1.00 0.00 H new ATOM 187 N LYS A 12 10.399 4.656 -3.391 1.00 0.00 N ATOM 188 CA LYS A 12 10.651 5.732 -4.332 1.00 0.00 C ATOM 189 C LYS A 12 9.567 6.802 -4.181 1.00 0.00 C ATOM 190 O LYS A 12 8.693 6.687 -3.323 1.00 0.00 O ATOM 191 CB LYS A 12 10.779 5.183 -5.754 1.00 0.00 C ATOM 192 CG LYS A 12 12.240 5.174 -6.210 1.00 0.00 C ATOM 193 CD LYS A 12 12.665 6.553 -6.718 1.00 0.00 C ATOM 194 CE LYS A 12 12.219 6.766 -8.165 1.00 0.00 C ATOM 195 NZ LYS A 12 11.737 8.151 -8.362 1.00 0.00 N ATOM 0 H LYS A 12 9.420 4.380 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 12 11.605 6.212 -4.114 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.376 4.171 -5.795 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.185 5.791 -6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.881 4.874 -5.381 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.374 4.435 -7.000 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.234 7.327 -6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 12 13.748 6.652 -6.649 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.050 6.565 -8.841 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.427 6.060 -8.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.438 8.277 -9.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.930 8.331 -7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.503 8.820 -8.144 1.00 0.00 H new ATOM 209 N THR A 13 9.659 7.817 -5.027 1.00 0.00 N ATOM 210 CA THR A 13 8.697 8.905 -4.999 1.00 0.00 C ATOM 211 C THR A 13 7.470 8.555 -5.844 1.00 0.00 C ATOM 212 O THR A 13 7.593 8.282 -7.037 1.00 0.00 O ATOM 213 CB THR A 13 9.409 10.178 -5.458 1.00 0.00 C ATOM 214 OG1 THR A 13 9.825 10.801 -4.245 1.00 0.00 O ATOM 215 CG2 THR A 13 8.450 11.192 -6.087 1.00 0.00 C ATOM 0 H THR A 13 10.386 7.909 -5.737 1.00 0.00 H new ATOM 0 HA THR A 13 8.320 9.073 -3.990 1.00 0.00 H new ATOM 0 HB THR A 13 10.186 9.919 -6.177 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.298 11.634 -4.451 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.007 12.077 -6.395 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.968 10.746 -6.957 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.692 11.477 -5.358 1.00 0.00 H new ATOM 223 N CYS A 14 6.317 8.576 -5.194 1.00 0.00 N ATOM 224 CA CYS A 14 5.069 8.264 -5.871 1.00 0.00 C ATOM 225 C CYS A 14 4.733 9.421 -6.813 1.00 0.00 C ATOM 226 O CYS A 14 4.362 10.504 -6.364 1.00 0.00 O ATOM 227 CB CYS A 14 3.940 7.990 -4.878 1.00 0.00 C ATOM 228 SG CYS A 14 4.294 6.675 -3.654 1.00 0.00 S ATOM 0 H CYS A 14 6.220 8.804 -4.205 1.00 0.00 H new ATOM 0 HA CYS A 14 5.185 7.347 -6.449 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.714 8.913 -4.344 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.044 7.716 -5.435 1.00 0.00 H new ATOM 233 N PRO A 15 4.875 9.153 -8.103 1.00 0.00 N ATOM 234 CA PRO A 15 4.831 10.244 -9.127 1.00 0.00 C ATOM 235 C PRO A 15 3.554 11.144 -9.264 1.00 0.00 C ATOM 236 O PRO A 15 2.612 11.013 -8.484 1.00 0.00 O ATOM 237 CB PRO A 15 5.164 9.486 -10.433 1.00 0.00 C ATOM 238 CG PRO A 15 4.773 8.029 -10.181 1.00 0.00 C ATOM 239 CD PRO A 15 5.082 7.804 -8.702 1.00 0.00 C ATOM 0 HA PRO A 15 5.524 11.029 -8.825 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.611 9.899 -11.277 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.224 9.570 -10.675 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.719 7.857 -10.397 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.343 7.349 -10.814 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.418 7.061 -8.260 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.102 7.449 -8.553 1.00 0.00 H new ATOM 247 N GLU A 16 3.589 12.019 -10.258 1.00 0.00 N ATOM 248 CA GLU A 16 2.475 12.918 -10.504 1.00 0.00 C ATOM 249 C GLU A 16 1.181 12.122 -10.685 1.00 0.00 C ATOM 250 O GLU A 16 1.117 11.215 -11.512 1.00 0.00 O ATOM 251 CB GLU A 16 2.746 13.809 -11.718 1.00 0.00 C ATOM 252 CG GLU A 16 1.668 14.884 -11.861 1.00 0.00 C ATOM 253 CD GLU A 16 0.579 14.443 -12.844 1.00 0.00 C ATOM 254 OE1 GLU A 16 0.960 14.006 -13.951 1.00 0.00 O ATOM 255 OE2 GLU A 16 -0.606 14.554 -12.464 1.00 0.00 O ATOM 0 H GLU A 16 4.372 12.124 -10.903 1.00 0.00 H new ATOM 0 HA GLU A 16 2.360 13.568 -9.637 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.723 14.281 -11.616 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.779 13.199 -12.621 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.223 15.089 -10.888 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.120 15.814 -12.207 1.00 0.00 H new ATOM 262 N GLY A 17 0.182 12.492 -9.897 1.00 0.00 N ATOM 263 CA GLY A 17 -1.107 11.824 -9.960 1.00 0.00 C ATOM 264 C GLY A 17 -1.346 10.974 -8.711 1.00 0.00 C ATOM 265 O GLY A 17 -2.436 10.995 -8.140 1.00 0.00 O ATOM 0 H GLY A 17 0.239 13.245 -9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.900 12.565 -10.057 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.150 11.193 -10.848 1.00 0.00 H new ATOM 269 N LYS A 18 -0.310 10.247 -8.321 1.00 0.00 N ATOM 270 CA LYS A 18 -0.393 9.392 -7.150 1.00 0.00 C ATOM 271 C LYS A 18 0.517 9.948 -6.053 1.00 0.00 C ATOM 272 O LYS A 18 1.725 9.719 -6.068 1.00 0.00 O ATOM 273 CB LYS A 18 -0.088 7.940 -7.524 1.00 0.00 C ATOM 274 CG LYS A 18 -0.670 7.593 -8.896 1.00 0.00 C ATOM 275 CD LYS A 18 -2.200 7.571 -8.853 1.00 0.00 C ATOM 276 CE LYS A 18 -2.748 6.308 -9.522 1.00 0.00 C ATOM 277 NZ LYS A 18 -4.225 6.273 -9.427 1.00 0.00 N ATOM 0 H LYS A 18 0.593 10.233 -8.796 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.408 9.388 -6.752 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.990 7.782 -7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.503 7.272 -6.769 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.334 8.323 -9.633 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.298 6.620 -9.218 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.539 7.615 -7.818 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.595 8.454 -9.356 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.444 6.282 -10.568 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.325 5.424 -9.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.535 5.309 -9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.541 6.929 -8.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.638 6.557 -10.338 1.00 0.00 H new ATOM 291 N ASN A 19 -0.100 10.666 -5.126 1.00 0.00 N ATOM 292 CA ASN A 19 0.639 11.256 -4.022 1.00 0.00 C ATOM 293 C ASN A 19 0.191 10.609 -2.710 1.00 0.00 C ATOM 294 O ASN A 19 0.215 11.247 -1.659 1.00 0.00 O ATOM 295 CB ASN A 19 0.373 12.759 -3.923 1.00 0.00 C ATOM 296 CG ASN A 19 1.552 13.483 -3.270 1.00 0.00 C ATOM 297 OD1 ASN A 19 2.653 12.967 -3.174 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.262 14.704 -2.830 1.00 0.00 N ATOM 0 H ASN A 19 -1.103 10.853 -5.116 1.00 0.00 H new ATOM 0 HA ASN A 19 1.701 11.088 -4.199 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.197 13.167 -4.918 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.533 12.934 -3.342 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.983 15.269 -2.380 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.319 15.076 -2.942 1.00 0.00 H new ATOM 305 N LEU A 20 -0.206 9.349 -2.814 1.00 0.00 N ATOM 306 CA LEU A 20 -0.659 8.609 -1.649 1.00 0.00 C ATOM 307 C LEU A 20 -0.108 7.183 -1.710 1.00 0.00 C ATOM 308 O LEU A 20 0.050 6.620 -2.792 1.00 0.00 O ATOM 309 CB LEU A 20 -2.184 8.674 -1.531 1.00 0.00 C ATOM 310 CG LEU A 20 -2.777 10.056 -1.255 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.272 10.087 -1.578 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.492 10.498 0.182 1.00 0.00 C ATOM 0 H LEU A 20 -0.223 8.822 -3.687 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.272 9.063 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.617 8.293 -2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.496 8.001 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.291 10.774 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.668 11.081 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.422 9.847 -2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.793 9.355 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.925 11.484 0.352 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.933 9.783 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.415 10.542 0.342 1.00 0.00 H new ATOM 324 N CYS A 21 0.171 6.640 -0.534 1.00 0.00 N ATOM 325 CA CYS A 21 0.702 5.290 -0.440 1.00 0.00 C ATOM 326 C CYS A 21 -0.322 4.420 0.291 1.00 0.00 C ATOM 327 O CYS A 21 -0.894 4.842 1.295 1.00 0.00 O ATOM 328 CB CYS A 21 2.068 5.266 0.249 1.00 0.00 C ATOM 329 SG CYS A 21 3.198 6.622 -0.236 1.00 0.00 S ATOM 0 H CYS A 21 0.039 7.110 0.362 1.00 0.00 H new ATOM 0 HA CYS A 21 0.867 4.891 -1.441 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.916 5.307 1.328 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.552 4.314 0.032 1.00 0.00 H new ATOM 334 N TYR A 22 -0.522 3.224 -0.240 1.00 0.00 N ATOM 335 CA TYR A 22 -1.468 2.292 0.349 1.00 0.00 C ATOM 336 C TYR A 22 -0.874 0.884 0.424 1.00 0.00 C ATOM 337 O TYR A 22 0.092 0.575 -0.272 1.00 0.00 O ATOM 338 CB TYR A 22 -2.679 2.272 -0.585 1.00 0.00 C ATOM 339 CG TYR A 22 -2.460 1.475 -1.873 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.380 0.098 -1.827 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.342 2.134 -3.080 1.00 0.00 C ATOM 342 CE1 TYR A 22 -2.174 -0.651 -3.039 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.137 1.384 -4.291 1.00 0.00 C ATOM 344 CZ TYR A 22 -2.062 0.028 -4.211 1.00 0.00 C ATOM 345 OH TYR A 22 -1.867 -0.680 -5.356 1.00 0.00 O ATOM 0 H TYR A 22 -0.045 2.878 -1.073 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.728 2.598 1.363 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.530 1.851 -0.050 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.941 3.298 -0.845 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.472 -0.417 -0.882 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.403 3.212 -3.116 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.110 -1.729 -3.017 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.045 1.887 -5.242 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.807 -0.064 -6.115 1.00 0.00 H new ATOM 355 N LYS A 23 -1.477 0.066 1.275 1.00 0.00 N ATOM 356 CA LYS A 23 -1.021 -1.302 1.450 1.00 0.00 C ATOM 357 C LYS A 23 -2.224 -2.205 1.729 1.00 0.00 C ATOM 358 O LYS A 23 -2.890 -2.058 2.753 1.00 0.00 O ATOM 359 CB LYS A 23 0.063 -1.372 2.527 1.00 0.00 C ATOM 360 CG LYS A 23 -0.255 -0.426 3.687 1.00 0.00 C ATOM 361 CD LYS A 23 0.963 -0.242 4.595 1.00 0.00 C ATOM 362 CE LYS A 23 0.907 1.103 5.321 1.00 0.00 C ATOM 363 NZ LYS A 23 1.476 0.981 6.683 1.00 0.00 N ATOM 0 H LYS A 23 -2.278 0.325 1.851 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.553 -1.667 0.536 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.146 -2.393 2.898 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.028 -1.110 2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.571 0.541 3.296 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.088 -0.823 4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.003 -1.051 5.324 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.876 -0.301 4.002 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.461 1.852 4.755 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.125 1.448 5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.800 1.359 7.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.663 -0.020 6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.365 1.518 6.737 1.00 0.00 H new ATOM 377 N MET A 24 -2.466 -3.118 0.801 1.00 0.00 N ATOM 378 CA MET A 24 -3.577 -4.045 0.934 1.00 0.00 C ATOM 379 C MET A 24 -3.131 -5.342 1.613 1.00 0.00 C ATOM 380 O MET A 24 -2.119 -5.928 1.236 1.00 0.00 O ATOM 381 CB MET A 24 -4.145 -4.363 -0.451 1.00 0.00 C ATOM 382 CG MET A 24 -5.182 -3.318 -0.871 1.00 0.00 C ATOM 383 SD MET A 24 -4.478 -2.216 -2.086 1.00 0.00 S ATOM 384 CE MET A 24 -4.927 -3.079 -3.583 1.00 0.00 C ATOM 0 H MET A 24 -1.911 -3.236 -0.047 1.00 0.00 H new ATOM 0 HA MET A 24 -4.343 -3.578 1.553 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.337 -4.393 -1.182 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.603 -5.352 -0.442 1.00 0.00 H new ATOM 0 HG2 MET A 24 -6.062 -3.812 -1.282 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.512 -2.751 -0.001 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.101 -3.031 -4.292 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.146 -4.121 -3.350 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.809 -2.612 -4.022 1.00 0.00 H new ATOM 394 N PHE A 25 -3.910 -5.751 2.604 1.00 0.00 N ATOM 395 CA PHE A 25 -3.610 -6.967 3.338 1.00 0.00 C ATOM 396 C PHE A 25 -4.705 -8.016 3.137 1.00 0.00 C ATOM 397 O PHE A 25 -5.881 -7.745 3.379 1.00 0.00 O ATOM 398 CB PHE A 25 -3.547 -6.592 4.820 1.00 0.00 C ATOM 399 CG PHE A 25 -2.561 -5.464 5.134 1.00 0.00 C ATOM 400 CD1 PHE A 25 -2.927 -4.167 4.945 1.00 0.00 C ATOM 401 CD2 PHE A 25 -1.319 -5.758 5.603 1.00 0.00 C ATOM 402 CE1 PHE A 25 -2.012 -3.121 5.236 1.00 0.00 C ATOM 403 CE2 PHE A 25 -0.404 -4.711 5.895 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.770 -3.415 5.705 1.00 0.00 C ATOM 0 H PHE A 25 -4.749 -5.261 2.915 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.670 -7.390 2.984 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.542 -6.294 5.152 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.270 -7.475 5.396 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.914 -3.933 4.574 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.028 -6.787 5.754 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.302 -2.092 5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.582 -4.944 6.268 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.074 -2.619 5.927 1.00 0.00 H new ATOM 414 N MET A 26 -4.281 -9.192 2.696 1.00 0.00 N ATOM 415 CA MET A 26 -5.212 -10.282 2.459 1.00 0.00 C ATOM 416 C MET A 26 -5.511 -11.039 3.756 1.00 0.00 C ATOM 417 O MET A 26 -4.690 -11.056 4.672 1.00 0.00 O ATOM 418 CB MET A 26 -4.619 -11.245 1.429 1.00 0.00 C ATOM 419 CG MET A 26 -5.687 -11.717 0.441 1.00 0.00 C ATOM 420 SD MET A 26 -6.119 -13.417 0.773 1.00 0.00 S ATOM 421 CE MET A 26 -7.809 -13.424 0.197 1.00 0.00 C ATOM 0 H MET A 26 -3.305 -9.413 2.497 1.00 0.00 H new ATOM 0 HA MET A 26 -6.145 -9.863 2.082 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.811 -10.752 0.888 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.184 -12.105 1.938 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.572 -11.086 0.521 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.318 -11.620 -0.580 1.00 0.00 H new ATOM 0 HE1 MET A 26 -8.069 -14.422 -0.155 1.00 0.00 H new ATOM 0 HE2 MET A 26 -8.473 -13.143 1.014 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.918 -12.711 -0.620 1.00 0.00 H new ATOM 431 N MET A 27 -6.687 -11.647 3.790 1.00 0.00 N ATOM 432 CA MET A 27 -7.104 -12.404 4.958 1.00 0.00 C ATOM 433 C MET A 27 -7.204 -11.501 6.190 1.00 0.00 C ATOM 434 O MET A 27 -8.294 -11.277 6.712 1.00 0.00 O ATOM 435 CB MET A 27 -6.098 -13.525 5.227 1.00 0.00 C ATOM 436 CG MET A 27 -6.383 -14.742 4.344 1.00 0.00 C ATOM 437 SD MET A 27 -7.695 -15.718 5.056 1.00 0.00 S ATOM 438 CE MET A 27 -6.862 -16.348 6.504 1.00 0.00 C ATOM 0 H MET A 27 -7.364 -11.631 3.028 1.00 0.00 H new ATOM 0 HA MET A 27 -8.089 -12.828 4.760 1.00 0.00 H new ATOM 0 HB2 MET A 27 -5.087 -13.164 5.039 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.143 -13.815 6.277 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.663 -14.417 3.342 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.482 -15.347 4.243 1.00 0.00 H new ATOM 0 HE1 MET A 27 -7.247 -17.339 6.743 1.00 0.00 H new ATOM 0 HE2 MET A 27 -5.792 -16.412 6.309 1.00 0.00 H new ATOM 0 HE3 MET A 27 -7.038 -15.678 7.345 1.00 0.00 H new ATOM 448 N SER A 28 -6.051 -11.009 6.617 1.00 0.00 N ATOM 449 CA SER A 28 -5.995 -10.136 7.778 1.00 0.00 C ATOM 450 C SER A 28 -4.899 -9.084 7.589 1.00 0.00 C ATOM 451 O SER A 28 -3.995 -9.264 6.775 1.00 0.00 O ATOM 452 CB SER A 28 -5.747 -10.936 9.058 1.00 0.00 C ATOM 453 OG SER A 28 -6.240 -10.262 10.212 1.00 0.00 O ATOM 0 H SER A 28 -5.149 -11.198 6.181 1.00 0.00 H new ATOM 0 HA SER A 28 -6.958 -9.635 7.876 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.227 -11.911 8.975 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.678 -11.116 9.172 1.00 0.00 H new ATOM 0 HG SER A 28 -6.064 -10.805 11.008 1.00 0.00 H new ATOM 459 N ASP A 29 -5.017 -8.010 8.354 1.00 0.00 N ATOM 460 CA ASP A 29 -4.048 -6.929 8.282 1.00 0.00 C ATOM 461 C ASP A 29 -3.090 -7.028 9.471 1.00 0.00 C ATOM 462 O ASP A 29 -1.917 -6.675 9.359 1.00 0.00 O ATOM 463 CB ASP A 29 -4.738 -5.565 8.343 1.00 0.00 C ATOM 464 CG ASP A 29 -6.147 -5.580 8.937 1.00 0.00 C ATOM 465 OD1 ASP A 29 -7.029 -6.188 8.294 1.00 0.00 O ATOM 466 OD2 ASP A 29 -6.311 -4.982 10.023 1.00 0.00 O ATOM 0 H ASP A 29 -5.769 -7.864 9.027 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.512 -7.020 7.337 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -4.119 -4.887 8.931 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.789 -5.155 7.334 1.00 0.00 H new ATOM 471 N LEU A 30 -3.626 -7.509 10.583 1.00 0.00 N ATOM 472 CA LEU A 30 -2.833 -7.659 11.792 1.00 0.00 C ATOM 473 C LEU A 30 -1.490 -8.301 11.440 1.00 0.00 C ATOM 474 O LEU A 30 -0.501 -8.105 12.143 1.00 0.00 O ATOM 475 CB LEU A 30 -3.620 -8.425 12.857 1.00 0.00 C ATOM 476 CG LEU A 30 -4.596 -7.597 13.696 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.722 -8.472 14.250 1.00 0.00 C ATOM 478 CD2 LEU A 30 -3.860 -6.840 14.803 1.00 0.00 C ATOM 0 H LEU A 30 -4.600 -7.800 10.673 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.616 -6.684 12.228 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.180 -9.220 12.365 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.910 -8.905 13.530 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.057 -6.852 13.048 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.401 -7.859 14.842 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.270 -8.926 13.424 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.298 -9.255 14.879 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.576 -6.259 15.385 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.354 -7.551 15.456 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.125 -6.169 14.358 1.00 0.00 H new ATOM 490 N THR A 31 -1.498 -9.055 10.350 1.00 0.00 N ATOM 491 CA THR A 31 -0.292 -9.727 9.896 1.00 0.00 C ATOM 492 C THR A 31 0.494 -8.826 8.942 1.00 0.00 C ATOM 493 O THR A 31 0.346 -7.604 8.974 1.00 0.00 O ATOM 494 CB THR A 31 -0.702 -11.063 9.271 1.00 0.00 C ATOM 495 OG1 THR A 31 -1.510 -10.691 8.156 1.00 0.00 O ATOM 496 CG2 THR A 31 -1.649 -11.862 10.167 1.00 0.00 C ATOM 0 H THR A 31 -2.320 -9.215 9.768 1.00 0.00 H new ATOM 0 HA THR A 31 0.382 -9.933 10.727 1.00 0.00 H new ATOM 0 HB THR A 31 0.189 -11.656 9.065 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.818 -11.497 7.692 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.909 -12.800 9.677 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.159 -12.073 11.118 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.555 -11.283 10.346 1.00 0.00 H new ATOM 504 N ILE A 32 1.311 -9.461 8.116 1.00 0.00 N ATOM 505 CA ILE A 32 2.120 -8.732 7.155 1.00 0.00 C ATOM 506 C ILE A 32 1.382 -8.669 5.817 1.00 0.00 C ATOM 507 O ILE A 32 0.640 -9.586 5.469 1.00 0.00 O ATOM 508 CB ILE A 32 3.519 -9.346 7.057 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.556 -8.459 7.750 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.890 -9.633 5.601 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.296 -8.384 9.255 1.00 0.00 C ATOM 0 H ILE A 32 1.430 -10.474 8.092 1.00 0.00 H new ATOM 0 HA ILE A 32 2.270 -7.704 7.486 1.00 0.00 H new ATOM 0 HB ILE A 32 3.511 -10.302 7.581 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.556 -8.854 7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.527 -7.457 7.322 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.888 -10.069 5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.171 -10.332 5.173 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.876 -8.704 5.032 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.047 -7.748 9.723 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.305 -7.966 9.433 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.350 -9.385 9.684 1.00 0.00 H new ATOM 523 N PRO A 33 1.610 -7.578 5.102 1.00 0.00 N ATOM 524 CA PRO A 33 0.866 -7.320 3.828 1.00 0.00 C ATOM 525 C PRO A 33 1.048 -8.280 2.602 1.00 0.00 C ATOM 526 O PRO A 33 1.866 -9.198 2.644 1.00 0.00 O ATOM 527 CB PRO A 33 1.263 -5.861 3.503 1.00 0.00 C ATOM 528 CG PRO A 33 2.629 -5.644 4.157 1.00 0.00 C ATOM 529 CD PRO A 33 2.579 -6.495 5.425 1.00 0.00 C ATOM 0 HA PRO A 33 -0.193 -7.513 4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.315 -5.701 2.426 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.526 -5.159 3.894 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.439 -5.958 3.499 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.796 -4.592 4.390 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.561 -6.900 5.672 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.250 -5.910 6.284 1.00 0.00 H new ATOM 537 N VAL A 34 0.270 -8.016 1.563 1.00 0.00 N ATOM 538 CA VAL A 34 0.331 -8.825 0.358 1.00 0.00 C ATOM 539 C VAL A 34 0.753 -7.945 -0.820 1.00 0.00 C ATOM 540 O VAL A 34 1.591 -8.344 -1.628 1.00 0.00 O ATOM 541 CB VAL A 34 -1.010 -9.526 0.130 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.224 -10.645 1.150 1.00 0.00 C ATOM 543 CG2 VAL A 34 -2.166 -8.524 0.163 1.00 0.00 C ATOM 0 H VAL A 34 -0.406 -7.253 1.531 1.00 0.00 H new ATOM 0 HA VAL A 34 1.080 -9.610 0.462 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.987 -9.977 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.184 -11.127 0.966 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.425 -11.381 1.056 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.215 -10.226 2.156 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.107 -9.049 -0.002 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.191 -8.030 1.134 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.024 -7.779 -0.620 1.00 0.00 H new ATOM 553 N LYS A 35 0.154 -6.765 -0.881 1.00 0.00 N ATOM 554 CA LYS A 35 0.459 -5.825 -1.946 1.00 0.00 C ATOM 555 C LYS A 35 0.337 -4.396 -1.412 1.00 0.00 C ATOM 556 O LYS A 35 -0.505 -4.119 -0.558 1.00 0.00 O ATOM 557 CB LYS A 35 -0.418 -6.101 -3.170 1.00 0.00 C ATOM 558 CG LYS A 35 -0.095 -5.129 -4.307 1.00 0.00 C ATOM 559 CD LYS A 35 0.614 -5.848 -5.457 1.00 0.00 C ATOM 560 CE LYS A 35 0.706 -4.949 -6.691 1.00 0.00 C ATOM 561 NZ LYS A 35 0.310 -5.696 -7.906 1.00 0.00 N ATOM 0 H LYS A 35 -0.541 -6.438 -0.210 1.00 0.00 H new ATOM 0 HA LYS A 35 1.488 -5.952 -2.283 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.264 -7.126 -3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.469 -6.010 -2.897 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.015 -4.671 -4.671 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.536 -4.323 -3.933 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.615 -6.145 -5.143 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.075 -6.761 -5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.060 -4.080 -6.564 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.724 -4.576 -6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.378 -5.072 -8.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.943 -6.511 -8.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.669 -6.031 -7.804 1.00 0.00 H new ATOM 575 N ARG A 36 1.189 -3.528 -1.935 1.00 0.00 N ATOM 576 CA ARG A 36 1.187 -2.135 -1.520 1.00 0.00 C ATOM 577 C ARG A 36 1.883 -1.268 -2.572 1.00 0.00 C ATOM 578 O ARG A 36 2.896 -1.671 -3.143 1.00 0.00 O ATOM 579 CB ARG A 36 1.895 -1.960 -0.176 1.00 0.00 C ATOM 580 CG ARG A 36 3.316 -2.525 -0.225 1.00 0.00 C ATOM 581 CD ARG A 36 3.814 -2.883 1.176 1.00 0.00 C ATOM 582 NE ARG A 36 4.355 -4.261 1.185 1.00 0.00 N ATOM 583 CZ ARG A 36 3.655 -5.346 0.829 1.00 0.00 C ATOM 584 NH1 ARG A 36 2.380 -5.220 0.435 1.00 0.00 N ATOM 585 NH2 ARG A 36 4.228 -6.556 0.868 1.00 0.00 N ATOM 0 H ARG A 36 1.886 -3.761 -2.642 1.00 0.00 H new ATOM 0 HA ARG A 36 0.148 -1.821 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.930 -0.902 0.085 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.327 -2.463 0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.337 -3.411 -0.859 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.986 -1.794 -0.677 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.585 -2.179 1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.998 -2.799 1.893 1.00 0.00 H new ATOM 0 HE ARG A 36 5.322 -4.393 1.481 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.944 -4.298 0.406 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.846 -6.046 0.164 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.198 -6.652 1.169 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.694 -7.382 0.597 1.00 0.00 H new ATOM 599 N GLY A 37 1.311 -0.093 -2.797 1.00 0.00 N ATOM 600 CA GLY A 37 1.864 0.834 -3.769 1.00 0.00 C ATOM 601 C GLY A 37 1.359 2.256 -3.519 1.00 0.00 C ATOM 602 O GLY A 37 0.969 2.593 -2.401 1.00 0.00 O ATOM 0 H GLY A 37 0.471 0.237 -2.323 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.953 0.816 -3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.589 0.518 -4.775 1.00 0.00 H new ATOM 606 N CYS A 38 1.383 3.053 -4.576 1.00 0.00 N ATOM 607 CA CYS A 38 0.932 4.431 -4.486 1.00 0.00 C ATOM 608 C CYS A 38 -0.436 4.535 -5.161 1.00 0.00 C ATOM 609 O CYS A 38 -0.846 3.628 -5.885 1.00 0.00 O ATOM 610 CB CYS A 38 1.946 5.400 -5.098 1.00 0.00 C ATOM 611 SG CYS A 38 3.698 4.995 -4.757 1.00 0.00 S ATOM 0 H CYS A 38 1.708 2.771 -5.501 1.00 0.00 H new ATOM 0 HA CYS A 38 0.841 4.718 -3.438 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.797 5.425 -6.177 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.740 6.403 -4.724 1.00 0.00 H new ATOM 616 N ILE A 39 -1.106 5.648 -4.902 1.00 0.00 N ATOM 617 CA ILE A 39 -2.421 5.882 -5.475 1.00 0.00 C ATOM 618 C ILE A 39 -2.791 7.356 -5.307 1.00 0.00 C ATOM 619 O ILE A 39 -2.053 8.119 -4.686 1.00 0.00 O ATOM 620 CB ILE A 39 -3.446 4.918 -4.877 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.698 4.833 -5.753 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.783 5.301 -3.434 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.227 3.399 -5.817 1.00 0.00 C ATOM 0 H ILE A 39 -0.763 6.398 -4.303 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.412 5.676 -6.545 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.002 3.923 -4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.470 5.492 -5.355 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.467 5.184 -6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.514 4.599 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.878 5.268 -2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.198 6.309 -3.412 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.117 3.367 -6.446 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.462 2.747 -6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.480 3.059 -4.813 1.00 0.00 H new ATOM 635 N ASP A 40 -3.935 7.715 -5.871 1.00 0.00 N ATOM 636 CA ASP A 40 -4.413 9.085 -5.791 1.00 0.00 C ATOM 637 C ASP A 40 -5.660 9.135 -4.907 1.00 0.00 C ATOM 638 O ASP A 40 -5.829 10.062 -4.117 1.00 0.00 O ATOM 639 CB ASP A 40 -4.792 9.618 -7.174 1.00 0.00 C ATOM 640 CG ASP A 40 -6.057 9.005 -7.778 1.00 0.00 C ATOM 641 OD1 ASP A 40 -6.256 7.789 -7.567 1.00 0.00 O ATOM 642 OD2 ASP A 40 -6.797 9.766 -8.438 1.00 0.00 O ATOM 0 H ASP A 40 -4.545 7.080 -6.386 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.613 9.697 -5.376 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.926 10.698 -7.107 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.960 9.442 -7.855 1.00 0.00 H new ATOM 647 N VAL A 41 -6.502 8.124 -5.069 1.00 0.00 N ATOM 648 CA VAL A 41 -7.729 8.042 -4.294 1.00 0.00 C ATOM 649 C VAL A 41 -7.894 6.619 -3.758 1.00 0.00 C ATOM 650 O VAL A 41 -7.814 5.653 -4.516 1.00 0.00 O ATOM 651 CB VAL A 41 -8.916 8.501 -5.144 1.00 0.00 C ATOM 652 CG1 VAL A 41 -9.231 7.482 -6.242 1.00 0.00 C ATOM 653 CG2 VAL A 41 -10.145 8.766 -4.272 1.00 0.00 C ATOM 0 H VAL A 41 -6.359 7.356 -5.725 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.683 8.711 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.640 9.438 -5.627 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.078 7.832 -6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.362 7.365 -6.890 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.477 6.522 -5.788 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.974 9.091 -4.901 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.423 7.852 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -9.914 9.545 -3.545 1.00 0.00 H new ATOM 663 N CYS A 42 -8.119 6.534 -2.455 1.00 0.00 N ATOM 664 CA CYS A 42 -8.295 5.245 -1.809 1.00 0.00 C ATOM 665 C CYS A 42 -9.564 4.597 -2.365 1.00 0.00 C ATOM 666 O CYS A 42 -10.658 5.143 -2.222 1.00 0.00 O ATOM 667 CB CYS A 42 -8.343 5.378 -0.285 1.00 0.00 C ATOM 668 SG CYS A 42 -7.951 3.844 0.633 1.00 0.00 S ATOM 0 H CYS A 42 -8.183 7.337 -1.829 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.438 4.607 -2.026 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.643 6.156 0.020 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.339 5.714 0.005 1.00 0.00 H new ATOM 673 N PRO A 43 -9.377 3.443 -2.989 1.00 0.00 N ATOM 674 CA PRO A 43 -10.528 2.535 -3.293 1.00 0.00 C ATOM 675 C PRO A 43 -11.358 1.898 -2.124 1.00 0.00 C ATOM 676 O PRO A 43 -10.996 2.032 -0.957 1.00 0.00 O ATOM 677 CB PRO A 43 -9.879 1.471 -4.207 1.00 0.00 C ATOM 678 CG PRO A 43 -8.538 2.062 -4.646 1.00 0.00 C ATOM 679 CD PRO A 43 -8.093 2.915 -3.461 1.00 0.00 C ATOM 0 HA PRO A 43 -11.332 3.130 -3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.736 0.531 -3.673 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.512 1.256 -5.068 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.812 1.279 -4.867 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.645 2.662 -5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.585 2.325 -2.698 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.407 3.708 -3.760 1.00 0.00 H new ATOM 687 N LYS A 44 -12.438 1.230 -2.504 1.00 0.00 N ATOM 688 CA LYS A 44 -13.302 0.588 -1.528 1.00 0.00 C ATOM 689 C LYS A 44 -12.625 -0.686 -1.015 1.00 0.00 C ATOM 690 O LYS A 44 -12.210 -1.534 -1.804 1.00 0.00 O ATOM 691 CB LYS A 44 -14.692 0.348 -2.118 1.00 0.00 C ATOM 692 CG LYS A 44 -15.237 1.621 -2.769 1.00 0.00 C ATOM 693 CD LYS A 44 -16.143 1.286 -3.956 1.00 0.00 C ATOM 694 CE LYS A 44 -15.317 0.871 -5.175 1.00 0.00 C ATOM 695 NZ LYS A 44 -15.138 2.017 -6.094 1.00 0.00 N ATOM 0 H LYS A 44 -12.734 1.120 -3.474 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.454 1.240 -0.668 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.644 -0.451 -2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.372 0.016 -1.333 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.795 2.200 -2.033 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.409 2.246 -3.104 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.824 0.480 -3.682 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.757 2.152 -4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.344 0.500 -4.853 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.814 0.053 -5.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -14.575 1.718 -6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.068 2.353 -6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -14.644 2.786 -5.598 1.00 0.00 H new ATOM 709 N ASN A 45 -12.533 -0.779 0.303 1.00 0.00 N ATOM 710 CA ASN A 45 -11.914 -1.933 0.931 1.00 0.00 C ATOM 711 C ASN A 45 -12.868 -3.127 0.848 1.00 0.00 C ATOM 712 O ASN A 45 -14.051 -2.961 0.555 1.00 0.00 O ATOM 713 CB ASN A 45 -11.619 -1.666 2.408 1.00 0.00 C ATOM 714 CG ASN A 45 -10.998 -2.895 3.075 1.00 0.00 C ATOM 715 OD1 ASN A 45 -10.262 -3.656 2.470 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.336 -3.045 4.353 1.00 0.00 N ATOM 0 H ASN A 45 -12.877 -0.073 0.954 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.980 -2.139 0.409 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.941 -0.817 2.499 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.541 -1.395 2.923 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.974 -3.835 4.887 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.957 -2.370 4.799 1.00 0.00 H new ATOM 723 N SER A 46 -12.318 -4.303 1.111 1.00 0.00 N ATOM 724 CA SER A 46 -13.106 -5.524 1.069 1.00 0.00 C ATOM 725 C SER A 46 -13.170 -6.152 2.463 1.00 0.00 C ATOM 726 O SER A 46 -12.720 -5.554 3.438 1.00 0.00 O ATOM 727 CB SER A 46 -12.525 -6.520 0.064 1.00 0.00 C ATOM 728 OG SER A 46 -11.190 -6.896 0.395 1.00 0.00 O ATOM 0 H SER A 46 -11.336 -4.437 1.354 1.00 0.00 H new ATOM 0 HA SER A 46 -14.115 -5.270 0.745 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.154 -7.409 0.030 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.541 -6.080 -0.933 1.00 0.00 H new ATOM 0 HG SER A 46 -10.884 -6.372 1.164 1.00 0.00 H new ATOM 734 N LEU A 47 -13.734 -7.350 2.510 1.00 0.00 N ATOM 735 CA LEU A 47 -13.863 -8.066 3.769 1.00 0.00 C ATOM 736 C LEU A 47 -12.719 -9.074 3.896 1.00 0.00 C ATOM 737 O LEU A 47 -12.300 -9.405 5.005 1.00 0.00 O ATOM 738 CB LEU A 47 -15.253 -8.695 3.886 1.00 0.00 C ATOM 739 CG LEU A 47 -16.367 -8.017 3.086 1.00 0.00 C ATOM 740 CD1 LEU A 47 -17.536 -8.975 2.850 1.00 0.00 C ATOM 741 CD2 LEU A 47 -16.817 -6.721 3.764 1.00 0.00 C ATOM 0 H LEU A 47 -14.106 -7.843 1.698 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.777 -7.378 4.610 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.187 -9.736 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.540 -8.700 4.938 1.00 0.00 H new ATOM 0 HG LEU A 47 -15.969 -7.749 2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.313 -8.467 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.187 -9.845 2.293 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.942 -9.297 3.809 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -17.609 -6.259 3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -17.190 -6.944 4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -15.972 -6.036 3.837 1.00 0.00 H new ATOM 753 N LEU A 48 -12.246 -9.534 2.747 1.00 0.00 N ATOM 754 CA LEU A 48 -11.159 -10.496 2.718 1.00 0.00 C ATOM 755 C LEU A 48 -9.823 -9.753 2.791 1.00 0.00 C ATOM 756 O LEU A 48 -8.887 -10.214 3.442 1.00 0.00 O ATOM 757 CB LEU A 48 -11.287 -11.412 1.499 1.00 0.00 C ATOM 758 CG LEU A 48 -12.090 -12.698 1.706 1.00 0.00 C ATOM 759 CD1 LEU A 48 -11.343 -13.669 2.623 1.00 0.00 C ATOM 760 CD2 LEU A 48 -13.497 -12.388 2.224 1.00 0.00 C ATOM 0 H LEU A 48 -12.596 -9.258 1.830 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.207 -11.151 3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -11.749 -10.845 0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.285 -11.683 1.166 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.203 -13.190 0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.935 -14.575 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.382 -13.925 2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.179 -13.200 3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.047 -13.319 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -13.427 -11.863 3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.021 -11.761 1.502 1.00 0.00 H new ATOM 772 N VAL A 49 -9.778 -8.615 2.114 1.00 0.00 N ATOM 773 CA VAL A 49 -8.572 -7.804 2.094 1.00 0.00 C ATOM 774 C VAL A 49 -8.781 -6.567 2.971 1.00 0.00 C ATOM 775 O VAL A 49 -9.903 -6.274 3.379 1.00 0.00 O ATOM 776 CB VAL A 49 -8.198 -7.459 0.651 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.753 -6.961 0.565 1.00 0.00 C ATOM 778 CG2 VAL A 49 -8.422 -8.656 -0.275 1.00 0.00 C ATOM 0 H VAL A 49 -10.557 -8.235 1.575 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.731 -8.358 2.509 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.851 -6.653 0.318 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.511 -6.722 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.639 -6.068 1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.078 -7.738 0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.148 -8.384 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.805 -9.492 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.472 -8.947 -0.247 1.00 0.00 H new ATOM 788 N LYS A 50 -7.682 -5.875 3.233 1.00 0.00 N ATOM 789 CA LYS A 50 -7.731 -4.676 4.052 1.00 0.00 C ATOM 790 C LYS A 50 -6.931 -3.565 3.370 1.00 0.00 C ATOM 791 O LYS A 50 -5.711 -3.660 3.243 1.00 0.00 O ATOM 792 CB LYS A 50 -7.265 -4.983 5.477 1.00 0.00 C ATOM 793 CG LYS A 50 -7.522 -3.794 6.405 1.00 0.00 C ATOM 794 CD LYS A 50 -8.932 -3.856 6.998 1.00 0.00 C ATOM 795 CE LYS A 50 -9.035 -2.995 8.258 1.00 0.00 C ATOM 796 NZ LYS A 50 -10.243 -2.142 8.205 1.00 0.00 N ATOM 0 H LYS A 50 -6.753 -6.122 2.893 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.757 -4.319 4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.788 -5.862 5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.202 -5.222 5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.786 -3.789 7.209 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.397 -2.863 5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.657 -3.514 6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.185 -4.889 7.237 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.072 -3.634 9.140 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.146 -2.371 8.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.298 -1.564 9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.192 -1.519 7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -11.089 -2.743 8.136 1.00 0.00 H new ATOM 810 N TYR A 51 -7.651 -2.535 2.947 1.00 0.00 N ATOM 811 CA TYR A 51 -7.023 -1.406 2.282 1.00 0.00 C ATOM 812 C TYR A 51 -6.578 -0.349 3.295 1.00 0.00 C ATOM 813 O TYR A 51 -7.409 0.256 3.971 1.00 0.00 O ATOM 814 CB TYR A 51 -8.096 -0.804 1.373 1.00 0.00 C ATOM 815 CG TYR A 51 -8.169 -1.447 -0.014 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.294 -2.816 -0.134 1.00 0.00 C ATOM 817 CD2 TYR A 51 -8.112 -0.657 -1.145 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.362 -3.421 -1.439 1.00 0.00 C ATOM 819 CE2 TYR A 51 -8.181 -1.261 -2.449 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.302 -2.614 -2.533 1.00 0.00 C ATOM 821 OH TYR A 51 -8.368 -3.185 -3.765 1.00 0.00 O ATOM 0 H TYR A 51 -8.663 -2.459 3.052 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.139 -1.728 1.731 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -9.067 -0.902 1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.904 0.263 1.258 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.341 -3.434 0.751 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.016 0.415 -1.051 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.458 -4.491 -1.547 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.138 -0.654 -3.341 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.314 -2.488 -4.452 1.00 0.00 H new ATOM 831 N VAL A 52 -5.269 -0.161 3.369 1.00 0.00 N ATOM 832 CA VAL A 52 -4.704 0.812 4.288 1.00 0.00 C ATOM 833 C VAL A 52 -3.995 1.909 3.492 1.00 0.00 C ATOM 834 O VAL A 52 -2.855 1.732 3.063 1.00 0.00 O ATOM 835 CB VAL A 52 -3.784 0.112 5.291 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.467 1.027 6.475 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.394 -1.209 5.765 1.00 0.00 C ATOM 0 H VAL A 52 -4.583 -0.666 2.808 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.493 1.290 4.869 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.846 -0.116 4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.812 0.505 7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.970 1.928 6.116 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.393 1.300 6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.720 -1.686 6.477 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.353 -1.015 6.246 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.544 -1.868 4.910 1.00 0.00 H new ATOM 847 N CYS A 53 -4.699 3.018 3.316 1.00 0.00 N ATOM 848 CA CYS A 53 -4.152 4.143 2.579 1.00 0.00 C ATOM 849 C CYS A 53 -3.514 5.108 3.579 1.00 0.00 C ATOM 850 O CYS A 53 -3.914 5.158 4.741 1.00 0.00 O ATOM 851 CB CYS A 53 -5.218 4.830 1.722 1.00 0.00 C ATOM 852 SG CYS A 53 -5.869 3.814 0.348 1.00 0.00 S ATOM 0 H CYS A 53 -5.644 3.161 3.672 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.392 3.790 1.882 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.049 5.122 2.365 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.797 5.747 1.310 1.00 0.00 H new ATOM 857 N CYS A 54 -2.532 5.853 3.091 1.00 0.00 N ATOM 858 CA CYS A 54 -1.835 6.814 3.928 1.00 0.00 C ATOM 859 C CYS A 54 -1.263 7.911 3.027 1.00 0.00 C ATOM 860 O CYS A 54 -1.298 7.794 1.803 1.00 0.00 O ATOM 861 CB CYS A 54 -0.749 6.147 4.773 1.00 0.00 C ATOM 862 SG CYS A 54 -0.237 4.488 4.193 1.00 0.00 S ATOM 0 H CYS A 54 -2.203 5.810 2.126 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.535 7.255 4.637 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.127 6.796 4.792 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.107 6.063 5.799 1.00 0.00 H new ATOM 867 N ASN A 55 -0.751 8.951 3.666 1.00 0.00 N ATOM 868 CA ASN A 55 -0.172 10.067 2.937 1.00 0.00 C ATOM 869 C ASN A 55 1.144 10.478 3.602 1.00 0.00 C ATOM 870 O ASN A 55 1.548 11.637 3.524 1.00 0.00 O ATOM 871 CB ASN A 55 -1.107 11.279 2.953 1.00 0.00 C ATOM 872 CG ASN A 55 -1.112 11.951 4.326 1.00 0.00 C ATOM 873 OD1 ASN A 55 -0.949 11.317 5.357 1.00 0.00 O ATOM 874 ND2 ASN A 55 -1.308 13.266 4.285 1.00 0.00 N ATOM 0 H ASN A 55 -0.725 9.045 4.681 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.009 9.749 1.907 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.792 11.996 2.195 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.118 10.966 2.694 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.329 13.806 5.150 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.438 13.735 3.388 1.00 0.00 H new ATOM 881 N THR A 56 1.776 9.504 4.240 1.00 0.00 N ATOM 882 CA THR A 56 3.038 9.750 4.918 1.00 0.00 C ATOM 883 C THR A 56 4.174 9.005 4.214 1.00 0.00 C ATOM 884 O THR A 56 4.012 7.854 3.813 1.00 0.00 O ATOM 885 CB THR A 56 2.870 9.354 6.387 1.00 0.00 C ATOM 886 OG1 THR A 56 2.501 7.979 6.337 1.00 0.00 O ATOM 887 CG2 THR A 56 1.671 10.039 7.045 1.00 0.00 C ATOM 0 H THR A 56 1.438 8.544 4.302 1.00 0.00 H new ATOM 0 HA THR A 56 3.310 10.805 4.880 1.00 0.00 H new ATOM 0 HB THR A 56 3.777 9.606 6.936 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.374 7.641 7.248 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.598 9.723 8.086 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.801 11.120 7.002 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.759 9.762 6.517 1.00 0.00 H new ATOM 895 N ASP A 57 5.300 9.693 4.088 1.00 0.00 N ATOM 896 CA ASP A 57 6.463 9.111 3.439 1.00 0.00 C ATOM 897 C ASP A 57 6.918 7.881 4.226 1.00 0.00 C ATOM 898 O ASP A 57 7.260 7.983 5.404 1.00 0.00 O ATOM 899 CB ASP A 57 7.626 10.104 3.402 1.00 0.00 C ATOM 900 CG ASP A 57 7.286 11.478 2.819 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.081 11.536 1.586 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.237 12.437 3.617 1.00 0.00 O ATOM 0 H ASP A 57 5.431 10.647 4.424 1.00 0.00 H new ATOM 0 HA ASP A 57 6.183 8.844 2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.001 10.239 4.417 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.437 9.669 2.818 1.00 0.00 H new ATOM 907 N ARG A 58 6.907 6.745 3.545 1.00 0.00 N ATOM 908 CA ARG A 58 7.314 5.495 4.166 1.00 0.00 C ATOM 909 C ARG A 58 6.234 5.007 5.132 1.00 0.00 C ATOM 910 O ARG A 58 6.544 4.499 6.208 1.00 0.00 O ATOM 911 CB ARG A 58 8.631 5.662 4.925 1.00 0.00 C ATOM 912 CG ARG A 58 9.537 6.684 4.235 1.00 0.00 C ATOM 913 CD ARG A 58 11.007 6.431 4.573 1.00 0.00 C ATOM 914 NE ARG A 58 11.392 7.208 5.773 1.00 0.00 N ATOM 915 CZ ARG A 58 11.188 6.798 7.032 1.00 0.00 C ATOM 916 NH1 ARG A 58 10.602 5.615 7.264 1.00 0.00 N ATOM 917 NH2 ARG A 58 11.570 7.569 8.058 1.00 0.00 N ATOM 0 H ARG A 58 6.623 6.663 2.569 1.00 0.00 H new ATOM 0 HA ARG A 58 7.455 4.760 3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.428 5.983 5.947 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.143 4.702 4.988 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.394 6.631 3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.257 7.691 4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.170 5.368 4.750 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.637 6.714 3.729 1.00 0.00 H new ATOM 0 HE ARG A 58 11.841 8.113 5.632 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.312 5.028 6.482 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.446 5.302 8.222 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.016 8.469 7.881 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.414 7.256 9.016 1.00 0.00 H new ATOM 931 N CYS A 59 4.989 5.176 4.713 1.00 0.00 N ATOM 932 CA CYS A 59 3.861 4.759 5.528 1.00 0.00 C ATOM 933 C CYS A 59 3.739 3.236 5.436 1.00 0.00 C ATOM 934 O CYS A 59 3.412 2.575 6.420 1.00 0.00 O ATOM 935 CB CYS A 59 2.568 5.461 5.109 1.00 0.00 C ATOM 936 SG CYS A 59 1.687 4.676 3.710 1.00 0.00 S ATOM 0 H CYS A 59 4.736 5.596 3.819 1.00 0.00 H new ATOM 0 HA CYS A 59 4.033 5.048 6.565 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.897 5.499 5.967 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.801 6.492 4.841 1.00 0.00 H new ATOM 941 N ASN A 60 4.009 2.724 4.244 1.00 0.00 N ATOM 942 CA ASN A 60 3.934 1.292 4.010 1.00 0.00 C ATOM 943 C ASN A 60 5.327 0.680 4.172 1.00 0.00 C ATOM 944 O ASN A 60 5.954 0.820 5.221 1.00 0.00 O ATOM 945 CB ASN A 60 3.446 0.990 2.592 1.00 0.00 C ATOM 946 CG ASN A 60 4.527 1.318 1.559 1.00 0.00 C ATOM 947 OD1 ASN A 60 5.610 1.780 1.881 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.173 1.055 0.305 1.00 0.00 N ATOM 0 H ASN A 60 4.280 3.276 3.430 1.00 0.00 H new ATOM 0 HA ASN A 60 3.233 0.869 4.730 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.171 -0.062 2.514 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.548 1.571 2.381 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.824 1.239 -0.458 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.250 0.669 0.106 1.00 0.00 H new