USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=12 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 150:sc= -11.3! (180deg=-15.4!) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 1 LEU N :NH3+ -116:sc= 0.164 (180deg=0) USER MOD Set 2.2: A 19 ASN : amide:sc= -0.4 K(o=-0.24,f=-2.6) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -2.25 K(o=-2.3,f=-8.1!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 158:sc= -0.0161 (180deg=-0.316) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -124:sc= 1.11 (180deg=-0.434) 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 11:sc= 0.0534 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= -8.65! C(o=-8.6!,f=-17!) USER MOD Single : A 46 SER OG : rot -70:sc= -0.791 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.75) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.93! USER MOD Single : A 60 ASN : amide:sc= -3.29! C(o=-3.3!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.760 12.138 -1.950 1.00 0.00 N ATOM 2 CA LEU A 1 5.643 11.110 -0.930 1.00 0.00 C ATOM 3 C LEU A 1 6.505 9.907 -1.322 1.00 0.00 C ATOM 4 O LEU A 1 6.584 9.553 -2.497 1.00 0.00 O ATOM 5 CB LEU A 1 4.174 10.759 -0.688 1.00 0.00 C ATOM 6 CG LEU A 1 3.588 11.209 0.652 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.301 12.009 0.448 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.380 10.017 1.589 1.00 0.00 C ATOM 0 H1 LEU A 1 6.204 12.985 -1.540 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.346 11.785 -2.733 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.814 12.382 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 1 6.021 11.477 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.579 11.200 -1.488 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.062 9.678 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 1 4.307 11.873 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.906 12.316 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.513 12.892 -0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.565 11.389 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.963 10.365 2.534 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.693 9.308 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.336 9.528 1.773 1.00 0.00 H new ATOM 20 N LYS A 2 7.130 9.315 -0.316 1.00 0.00 N ATOM 21 CA LYS A 2 7.984 8.160 -0.541 1.00 0.00 C ATOM 22 C LYS A 2 7.236 6.891 -0.130 1.00 0.00 C ATOM 23 O LYS A 2 6.900 6.716 1.041 1.00 0.00 O ATOM 24 CB LYS A 2 9.327 8.341 0.169 1.00 0.00 C ATOM 25 CG LYS A 2 10.037 9.608 -0.313 1.00 0.00 C ATOM 26 CD LYS A 2 10.570 10.420 0.867 1.00 0.00 C ATOM 27 CE LYS A 2 11.800 9.751 1.483 1.00 0.00 C ATOM 28 NZ LYS A 2 12.992 10.615 1.331 1.00 0.00 N ATOM 0 H LYS A 2 7.063 9.613 0.657 1.00 0.00 H new ATOM 0 HA LYS A 2 8.221 8.061 -1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.168 8.396 1.246 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.960 7.473 -0.016 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.860 9.338 -0.975 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.346 10.217 -0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.827 11.426 0.534 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.791 10.524 1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.621 9.551 2.539 1.00 0.00 H new ATOM 0 HE3 LYS A 2 11.977 8.789 1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.818 10.145 1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.171 10.785 0.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.826 11.523 1.811 1.00 0.00 H new ATOM 42 N CYS A 3 6.998 6.038 -1.114 1.00 0.00 N ATOM 43 CA CYS A 3 6.296 4.789 -0.869 1.00 0.00 C ATOM 44 C CYS A 3 7.276 3.635 -1.088 1.00 0.00 C ATOM 45 O CYS A 3 8.131 3.701 -1.972 1.00 0.00 O ATOM 46 CB CYS A 3 5.052 4.656 -1.750 1.00 0.00 C ATOM 47 SG CYS A 3 4.074 6.192 -1.933 1.00 0.00 S ATOM 0 H CYS A 3 7.279 6.186 -2.083 1.00 0.00 H new ATOM 0 HA CYS A 3 5.936 4.768 0.160 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.359 4.317 -2.739 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.410 3.880 -1.333 1.00 0.00 H new ATOM 52 N ASN A 4 7.122 2.604 -0.270 1.00 0.00 N ATOM 53 CA ASN A 4 7.984 1.438 -0.365 1.00 0.00 C ATOM 54 C ASN A 4 7.262 0.339 -1.148 1.00 0.00 C ATOM 55 O ASN A 4 6.041 0.370 -1.286 1.00 0.00 O ATOM 56 CB ASN A 4 8.318 0.887 1.023 1.00 0.00 C ATOM 57 CG ASN A 4 8.849 1.992 1.938 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.975 3.144 1.556 1.00 0.00 O ATOM 59 ND2 ASN A 4 9.153 1.578 3.165 1.00 0.00 N ATOM 0 H ASN A 4 6.413 2.552 0.462 1.00 0.00 H new ATOM 0 HA ASN A 4 8.904 1.738 -0.866 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.427 0.441 1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.061 0.095 0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.516 2.240 3.851 1.00 0.00 H new ATOM 0 HD22 ASN A 4 9.023 0.599 3.420 1.00 0.00 H new ATOM 66 N LYS A 5 8.050 -0.605 -1.641 1.00 0.00 N ATOM 67 CA LYS A 5 7.503 -1.711 -2.408 1.00 0.00 C ATOM 68 C LYS A 5 7.050 -2.815 -1.450 1.00 0.00 C ATOM 69 O LYS A 5 6.914 -2.583 -0.250 1.00 0.00 O ATOM 70 CB LYS A 5 8.508 -2.184 -3.460 1.00 0.00 C ATOM 71 CG LYS A 5 8.977 -1.018 -4.332 1.00 0.00 C ATOM 72 CD LYS A 5 10.485 -0.801 -4.194 1.00 0.00 C ATOM 73 CE LYS A 5 10.871 0.630 -4.576 1.00 0.00 C ATOM 74 NZ LYS A 5 11.188 0.712 -6.019 1.00 0.00 N ATOM 0 H LYS A 5 9.063 -0.627 -1.524 1.00 0.00 H new ATOM 0 HA LYS A 5 6.623 -1.389 -2.965 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.366 -2.643 -2.968 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.051 -2.950 -4.086 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.729 -1.216 -5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.448 -0.109 -4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.793 -1.003 -3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.017 -1.507 -4.831 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.053 1.310 -4.338 1.00 0.00 H new ATOM 0 HE3 LYS A 5 11.732 0.950 -3.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.448 1.689 -6.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.983 0.078 -6.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.356 0.427 -6.574 1.00 0.00 H new ATOM 88 N LEU A 6 6.830 -3.993 -2.016 1.00 0.00 N ATOM 89 CA LEU A 6 6.395 -5.133 -1.227 1.00 0.00 C ATOM 90 C LEU A 6 7.296 -5.270 0.002 1.00 0.00 C ATOM 91 O LEU A 6 6.860 -5.758 1.043 1.00 0.00 O ATOM 92 CB LEU A 6 6.341 -6.393 -2.093 1.00 0.00 C ATOM 93 CG LEU A 6 5.492 -7.545 -1.548 1.00 0.00 C ATOM 94 CD1 LEU A 6 4.020 -7.365 -1.923 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.041 -8.896 -2.010 1.00 0.00 C ATOM 0 H LEU A 6 6.945 -4.182 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 6 5.379 -4.980 -0.863 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.958 -6.118 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.359 -6.755 -2.238 1.00 0.00 H new ATOM 0 HG LEU A 6 5.551 -7.529 -0.460 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.439 -8.196 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.650 -6.429 -1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.921 -7.341 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.420 -9.697 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.031 -8.939 -3.099 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.063 -9.015 -1.651 1.00 0.00 H new ATOM 107 N VAL A 7 8.535 -4.829 -0.159 1.00 0.00 N ATOM 108 CA VAL A 7 9.501 -4.896 0.923 1.00 0.00 C ATOM 109 C VAL A 7 9.794 -3.482 1.428 1.00 0.00 C ATOM 110 O VAL A 7 10.118 -2.594 0.642 1.00 0.00 O ATOM 111 CB VAL A 7 10.756 -5.638 0.460 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.893 -5.475 1.470 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.457 -7.117 0.207 1.00 0.00 C ATOM 0 H VAL A 7 8.892 -4.423 -1.024 1.00 0.00 H new ATOM 0 HA VAL A 7 9.096 -5.463 1.761 1.00 0.00 H new ATOM 0 HB VAL A 7 11.078 -5.195 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.773 -6.012 1.117 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.133 -4.417 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.584 -5.879 2.434 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.366 -7.621 -0.121 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.098 -7.578 1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.693 -7.207 -0.566 1.00 0.00 H new ATOM 123 N PRO A 8 9.670 -3.317 2.737 1.00 0.00 N ATOM 124 CA PRO A 8 10.256 -2.122 3.424 1.00 0.00 C ATOM 125 C PRO A 8 11.801 -1.860 3.364 1.00 0.00 C ATOM 126 O PRO A 8 12.454 -1.747 4.400 1.00 0.00 O ATOM 127 CB PRO A 8 9.737 -2.284 4.870 1.00 0.00 C ATOM 128 CG PRO A 8 8.575 -3.275 4.788 1.00 0.00 C ATOM 129 CD PRO A 8 8.965 -4.224 3.657 1.00 0.00 C ATOM 0 HA PRO A 8 9.942 -1.226 2.889 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.522 -2.656 5.528 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.407 -1.328 5.276 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.442 -3.810 5.728 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.634 -2.768 4.575 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.606 -5.034 4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.094 -4.685 3.191 1.00 0.00 H new ATOM 137 N ILE A 9 12.308 -1.774 2.143 1.00 0.00 N ATOM 138 CA ILE A 9 13.726 -1.534 1.938 1.00 0.00 C ATOM 139 C ILE A 9 13.910 -0.570 0.763 1.00 0.00 C ATOM 140 O ILE A 9 14.671 0.390 0.857 1.00 0.00 O ATOM 141 CB ILE A 9 14.475 -2.857 1.771 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.956 -2.698 2.123 1.00 0.00 C ATOM 143 CG2 ILE A 9 14.279 -3.425 0.364 1.00 0.00 C ATOM 144 CD1 ILE A 9 16.575 -1.520 1.369 1.00 0.00 C ATOM 0 H ILE A 9 11.762 -1.866 1.286 1.00 0.00 H new ATOM 0 HA ILE A 9 14.163 -1.056 2.815 1.00 0.00 H new ATOM 0 HB ILE A 9 14.053 -3.578 2.471 1.00 0.00 H new ATOM 0 HG12 ILE A 9 16.064 -2.544 3.197 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.492 -3.614 1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.822 -4.366 0.272 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.218 -3.600 0.187 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.657 -2.715 -0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.628 -1.429 1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 9 16.487 -1.688 0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.052 -0.602 1.636 1.00 0.00 H new ATOM 156 N ALA A 10 13.199 -0.862 -0.317 1.00 0.00 N ATOM 157 CA ALA A 10 13.275 -0.034 -1.508 1.00 0.00 C ATOM 158 C ALA A 10 12.005 0.813 -1.617 1.00 0.00 C ATOM 159 O ALA A 10 10.898 0.302 -1.452 1.00 0.00 O ATOM 160 CB ALA A 10 13.490 -0.922 -2.735 1.00 0.00 C ATOM 0 H ALA A 10 12.568 -1.660 -0.392 1.00 0.00 H new ATOM 0 HA ALA A 10 14.123 0.648 -1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.547 -0.300 -3.629 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.419 -1.480 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.657 -1.619 -2.830 1.00 0.00 H new ATOM 166 N TYR A 11 12.207 2.093 -1.893 1.00 0.00 N ATOM 167 CA TYR A 11 11.091 3.015 -2.026 1.00 0.00 C ATOM 168 C TYR A 11 11.474 4.216 -2.893 1.00 0.00 C ATOM 169 O TYR A 11 12.642 4.597 -2.952 1.00 0.00 O ATOM 170 CB TYR A 11 10.777 3.503 -0.610 1.00 0.00 C ATOM 171 CG TYR A 11 11.956 4.181 0.090 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.883 3.421 0.773 1.00 0.00 C ATOM 173 CD2 TYR A 11 12.090 5.554 0.041 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.993 4.060 1.433 1.00 0.00 C ATOM 175 CE2 TYR A 11 13.200 6.192 0.701 1.00 0.00 C ATOM 176 CZ TYR A 11 14.096 5.414 1.364 1.00 0.00 C ATOM 177 OH TYR A 11 15.143 6.017 1.987 1.00 0.00 O ATOM 0 H TYR A 11 13.126 2.514 -2.028 1.00 0.00 H new ATOM 0 HA TYR A 11 10.240 2.523 -2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.943 4.203 -0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.450 2.655 -0.009 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.777 2.347 0.813 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.363 6.149 -0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.726 3.477 1.970 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.318 7.265 0.670 1.00 0.00 H new ATOM 0 HH TYR A 11 15.089 6.986 1.853 1.00 0.00 H new ATOM 187 N LYS A 12 10.467 4.779 -3.544 1.00 0.00 N ATOM 188 CA LYS A 12 10.683 5.930 -4.405 1.00 0.00 C ATOM 189 C LYS A 12 9.575 6.957 -4.163 1.00 0.00 C ATOM 190 O LYS A 12 8.718 6.760 -3.305 1.00 0.00 O ATOM 191 CB LYS A 12 10.805 5.490 -5.866 1.00 0.00 C ATOM 192 CG LYS A 12 12.272 5.408 -6.292 1.00 0.00 C ATOM 193 CD LYS A 12 12.438 5.792 -7.765 1.00 0.00 C ATOM 194 CE LYS A 12 12.648 7.300 -7.918 1.00 0.00 C ATOM 195 NZ LYS A 12 13.986 7.689 -7.418 1.00 0.00 N ATOM 0 H LYS A 12 9.500 4.460 -3.493 1.00 0.00 H new ATOM 0 HA LYS A 12 11.628 6.416 -4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.329 4.518 -5.998 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.275 6.194 -6.507 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.873 6.071 -5.670 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.645 4.396 -6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.288 5.258 -8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.555 5.485 -8.326 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.548 7.583 -8.966 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.877 7.839 -7.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.267 8.594 -7.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.954 7.792 -6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.678 6.955 -7.672 1.00 0.00 H new ATOM 209 N THR A 13 9.630 8.032 -4.936 1.00 0.00 N ATOM 210 CA THR A 13 8.643 9.091 -4.817 1.00 0.00 C ATOM 211 C THR A 13 7.403 8.761 -5.649 1.00 0.00 C ATOM 212 O THR A 13 7.491 8.604 -6.867 1.00 0.00 O ATOM 213 CB THR A 13 9.311 10.408 -5.218 1.00 0.00 C ATOM 214 OG1 THR A 13 9.746 10.968 -3.982 1.00 0.00 O ATOM 215 CG2 THR A 13 8.311 11.432 -5.758 1.00 0.00 C ATOM 0 H THR A 13 10.343 8.192 -5.647 1.00 0.00 H new ATOM 0 HA THR A 13 8.290 9.188 -3.790 1.00 0.00 H new ATOM 0 HB THR A 13 10.073 10.212 -5.972 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.192 11.824 -4.150 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.837 12.348 -6.027 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.815 11.026 -6.639 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.567 11.653 -4.992 1.00 0.00 H new ATOM 223 N CYS A 14 6.275 8.665 -4.960 1.00 0.00 N ATOM 224 CA CYS A 14 5.019 8.355 -5.622 1.00 0.00 C ATOM 225 C CYS A 14 4.660 9.524 -6.542 1.00 0.00 C ATOM 226 O CYS A 14 4.225 10.576 -6.075 1.00 0.00 O ATOM 227 CB CYS A 14 3.907 8.062 -4.613 1.00 0.00 C ATOM 228 SG CYS A 14 4.195 6.593 -3.559 1.00 0.00 S ATOM 0 H CYS A 14 6.205 8.796 -3.951 1.00 0.00 H new ATOM 0 HA CYS A 14 5.131 7.448 -6.215 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.780 8.933 -3.971 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.971 7.925 -5.154 1.00 0.00 H new ATOM 233 N PRO A 15 4.854 9.300 -7.833 1.00 0.00 N ATOM 234 CA PRO A 15 4.830 10.423 -8.823 1.00 0.00 C ATOM 235 C PRO A 15 3.539 11.297 -8.990 1.00 0.00 C ATOM 236 O PRO A 15 2.569 11.123 -8.255 1.00 0.00 O ATOM 237 CB PRO A 15 5.240 9.717 -10.135 1.00 0.00 C ATOM 238 CG PRO A 15 4.868 8.244 -9.951 1.00 0.00 C ATOM 239 CD PRO A 15 5.108 7.976 -8.467 1.00 0.00 C ATOM 0 HA PRO A 15 5.490 11.213 -8.465 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.719 10.148 -10.990 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.308 9.830 -10.322 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.830 8.059 -10.226 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.483 7.597 -10.576 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.434 7.210 -8.083 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.124 7.629 -8.280 1.00 0.00 H new ATOM 247 N GLU A 16 3.597 12.201 -9.957 1.00 0.00 N ATOM 248 CA GLU A 16 2.472 13.083 -10.225 1.00 0.00 C ATOM 249 C GLU A 16 1.203 12.264 -10.470 1.00 0.00 C ATOM 250 O GLU A 16 1.189 11.371 -11.316 1.00 0.00 O ATOM 251 CB GLU A 16 2.767 14.003 -11.410 1.00 0.00 C ATOM 252 CG GLU A 16 1.817 15.201 -11.423 1.00 0.00 C ATOM 253 CD GLU A 16 1.693 15.787 -12.832 1.00 0.00 C ATOM 254 OE1 GLU A 16 2.674 16.426 -13.270 1.00 0.00 O ATOM 255 OE2 GLU A 16 0.619 15.583 -13.440 1.00 0.00 O ATOM 0 H GLU A 16 4.404 12.342 -10.564 1.00 0.00 H new ATOM 0 HA GLU A 16 2.312 13.712 -9.350 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.798 14.352 -11.356 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.668 13.446 -12.341 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.834 14.894 -11.065 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.181 15.966 -10.738 1.00 0.00 H new ATOM 262 N GLY A 17 0.167 12.596 -9.715 1.00 0.00 N ATOM 263 CA GLY A 17 -1.104 11.903 -9.839 1.00 0.00 C ATOM 264 C GLY A 17 -1.358 11.003 -8.628 1.00 0.00 C ATOM 265 O GLY A 17 -2.472 10.957 -8.107 1.00 0.00 O ATOM 0 H GLY A 17 0.182 13.337 -9.014 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.911 12.630 -9.932 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.108 11.304 -10.749 1.00 0.00 H new ATOM 269 N LYS A 18 -0.307 10.309 -8.215 1.00 0.00 N ATOM 270 CA LYS A 18 -0.404 9.414 -7.075 1.00 0.00 C ATOM 271 C LYS A 18 0.542 9.895 -5.972 1.00 0.00 C ATOM 272 O LYS A 18 1.755 9.716 -6.068 1.00 0.00 O ATOM 273 CB LYS A 18 -0.157 7.967 -7.509 1.00 0.00 C ATOM 274 CG LYS A 18 -1.275 7.472 -8.427 1.00 0.00 C ATOM 275 CD LYS A 18 -0.790 6.318 -9.309 1.00 0.00 C ATOM 276 CE LYS A 18 -1.035 6.619 -10.789 1.00 0.00 C ATOM 277 NZ LYS A 18 -1.291 5.367 -11.536 1.00 0.00 N ATOM 0 H LYS A 18 0.615 10.349 -8.649 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.412 9.432 -6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.800 7.897 -8.025 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.093 7.326 -6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.124 7.144 -7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.625 8.292 -9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.273 6.148 -9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.308 5.400 -9.030 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.886 7.292 -10.893 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.170 7.131 -11.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.455 5.588 -12.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.468 4.737 -11.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.130 4.894 -11.144 1.00 0.00 H new ATOM 291 N ASN A 19 -0.050 10.496 -4.951 1.00 0.00 N ATOM 292 CA ASN A 19 0.724 11.005 -3.831 1.00 0.00 C ATOM 293 C ASN A 19 0.229 10.355 -2.537 1.00 0.00 C ATOM 294 O ASN A 19 0.418 10.902 -1.452 1.00 0.00 O ATOM 295 CB ASN A 19 0.562 12.520 -3.692 1.00 0.00 C ATOM 296 CG ASN A 19 1.771 13.138 -2.987 1.00 0.00 C ATOM 297 OD1 ASN A 19 2.908 12.743 -3.187 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.463 14.127 -2.153 1.00 0.00 N ATOM 0 H ASN A 19 -1.057 10.642 -4.875 1.00 0.00 H new ATOM 0 HA ASN A 19 1.773 10.770 -4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.443 12.969 -4.678 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.345 12.742 -3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.200 14.605 -1.634 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.490 14.408 -2.032 1.00 0.00 H new ATOM 305 N LEU A 20 -0.396 9.198 -2.695 1.00 0.00 N ATOM 306 CA LEU A 20 -0.921 8.468 -1.553 1.00 0.00 C ATOM 307 C LEU A 20 -0.405 7.028 -1.594 1.00 0.00 C ATOM 308 O LEU A 20 -0.578 6.331 -2.592 1.00 0.00 O ATOM 309 CB LEU A 20 -2.446 8.574 -1.504 1.00 0.00 C ATOM 310 CG LEU A 20 -3.016 9.988 -1.376 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.533 9.987 -1.570 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.609 10.625 -0.046 1.00 0.00 C ATOM 0 H LEU A 20 -0.551 8.747 -3.597 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.565 8.909 -0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.851 8.121 -2.409 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.805 7.981 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.590 10.601 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.913 11.004 -1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.773 9.602 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.996 9.354 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.027 11.629 0.019 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.987 10.020 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.522 10.680 0.014 1.00 0.00 H new ATOM 324 N CYS A 21 0.218 6.625 -0.496 1.00 0.00 N ATOM 325 CA CYS A 21 0.760 5.281 -0.393 1.00 0.00 C ATOM 326 C CYS A 21 -0.263 4.405 0.335 1.00 0.00 C ATOM 327 O CYS A 21 -0.807 4.805 1.362 1.00 0.00 O ATOM 328 CB CYS A 21 2.120 5.271 0.307 1.00 0.00 C ATOM 329 SG CYS A 21 3.244 6.630 -0.181 1.00 0.00 S ATOM 0 H CYS A 21 0.359 7.206 0.330 1.00 0.00 H new ATOM 0 HA CYS A 21 0.936 4.880 -1.391 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.959 5.320 1.384 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.612 4.320 0.102 1.00 0.00 H new ATOM 334 N TYR A 22 -0.491 3.227 -0.228 1.00 0.00 N ATOM 335 CA TYR A 22 -1.439 2.292 0.356 1.00 0.00 C ATOM 336 C TYR A 22 -0.847 0.883 0.421 1.00 0.00 C ATOM 337 O TYR A 22 0.156 0.596 -0.229 1.00 0.00 O ATOM 338 CB TYR A 22 -2.649 2.281 -0.581 1.00 0.00 C ATOM 339 CG TYR A 22 -2.433 1.485 -1.868 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.315 0.111 -1.819 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.357 2.141 -3.080 1.00 0.00 C ATOM 342 CE1 TYR A 22 -2.111 -0.637 -3.032 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.153 1.393 -4.293 1.00 0.00 C ATOM 344 CZ TYR A 22 -2.040 0.040 -4.209 1.00 0.00 C ATOM 345 OH TYR A 22 -1.848 -0.667 -5.355 1.00 0.00 O ATOM 0 H TYR A 22 -0.037 2.899 -1.080 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.699 2.590 1.372 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.504 1.865 -0.048 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.904 3.309 -0.840 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.376 -0.403 -0.871 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.451 3.216 -3.118 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.016 -1.713 -3.008 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.091 1.894 -5.248 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.819 -0.052 -6.118 1.00 0.00 H new ATOM 355 N LYS A 23 -1.494 0.041 1.214 1.00 0.00 N ATOM 356 CA LYS A 23 -1.044 -1.332 1.374 1.00 0.00 C ATOM 357 C LYS A 23 -2.259 -2.242 1.570 1.00 0.00 C ATOM 358 O LYS A 23 -3.044 -2.043 2.496 1.00 0.00 O ATOM 359 CB LYS A 23 -0.014 -1.430 2.500 1.00 0.00 C ATOM 360 CG LYS A 23 -0.432 -0.582 3.703 1.00 0.00 C ATOM 361 CD LYS A 23 0.749 -0.349 4.646 1.00 0.00 C ATOM 362 CE LYS A 23 0.601 0.978 5.393 1.00 0.00 C ATOM 363 NZ LYS A 23 0.972 0.817 6.817 1.00 0.00 N ATOM 0 H LYS A 23 -2.326 0.283 1.752 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.531 -1.673 0.474 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.098 -2.470 2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.959 -1.098 2.137 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.822 0.376 3.359 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.239 -1.080 4.241 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.814 -1.168 5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.679 -0.348 4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.234 1.735 4.930 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.427 1.332 5.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.181 1.122 7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.187 -0.182 7.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 1.809 1.398 7.025 1.00 0.00 H new ATOM 377 N MET A 24 -2.374 -3.221 0.685 1.00 0.00 N ATOM 378 CA MET A 24 -3.479 -4.161 0.749 1.00 0.00 C ATOM 379 C MET A 24 -3.105 -5.391 1.579 1.00 0.00 C ATOM 380 O MET A 24 -2.082 -6.026 1.328 1.00 0.00 O ATOM 381 CB MET A 24 -3.861 -4.598 -0.666 1.00 0.00 C ATOM 382 CG MET A 24 -4.845 -3.611 -1.298 1.00 0.00 C ATOM 383 SD MET A 24 -4.222 -3.051 -2.874 1.00 0.00 S ATOM 384 CE MET A 24 -5.112 -1.512 -3.031 1.00 0.00 C ATOM 0 H MET A 24 -1.720 -3.383 -0.080 1.00 0.00 H new ATOM 0 HA MET A 24 -4.325 -3.666 1.227 1.00 0.00 H new ATOM 0 HB2 MET A 24 -2.965 -4.669 -1.283 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.307 -5.592 -0.636 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.816 -4.088 -1.430 1.00 0.00 H new ATOM 0 HG3 MET A 24 -4.996 -2.760 -0.634 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.517 -0.805 -3.608 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.059 -1.690 -3.540 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.304 -1.100 -2.040 1.00 0.00 H new ATOM 394 N PHE A 25 -3.954 -5.690 2.551 1.00 0.00 N ATOM 395 CA PHE A 25 -3.724 -6.831 3.420 1.00 0.00 C ATOM 396 C PHE A 25 -4.783 -7.913 3.194 1.00 0.00 C ATOM 397 O PHE A 25 -5.965 -7.694 3.456 1.00 0.00 O ATOM 398 CB PHE A 25 -3.828 -6.326 4.860 1.00 0.00 C ATOM 399 CG PHE A 25 -2.668 -5.425 5.288 1.00 0.00 C ATOM 400 CD1 PHE A 25 -1.474 -5.974 5.642 1.00 0.00 C ATOM 401 CD2 PHE A 25 -2.830 -4.075 5.316 1.00 0.00 C ATOM 402 CE1 PHE A 25 -0.398 -5.137 6.039 1.00 0.00 C ATOM 403 CE2 PHE A 25 -1.754 -3.238 5.713 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.561 -3.787 6.066 1.00 0.00 C ATOM 0 H PHE A 25 -4.802 -5.162 2.756 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.747 -7.266 3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.763 -5.777 4.975 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.876 -7.183 5.532 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.345 -7.046 5.621 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.778 -3.639 5.036 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.550 -5.572 6.319 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.883 -2.166 5.735 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.258 -3.151 6.368 1.00 0.00 H new ATOM 414 N MET A 26 -4.321 -9.057 2.712 1.00 0.00 N ATOM 415 CA MET A 26 -5.213 -10.174 2.449 1.00 0.00 C ATOM 416 C MET A 26 -5.429 -11.013 3.709 1.00 0.00 C ATOM 417 O MET A 26 -4.612 -10.980 4.628 1.00 0.00 O ATOM 418 CB MET A 26 -4.620 -11.052 1.345 1.00 0.00 C ATOM 419 CG MET A 26 -5.692 -11.459 0.332 1.00 0.00 C ATOM 420 SD MET A 26 -6.068 -13.195 0.506 1.00 0.00 S ATOM 421 CE MET A 26 -5.765 -13.746 -1.164 1.00 0.00 C ATOM 0 H MET A 26 -3.340 -9.235 2.496 1.00 0.00 H new ATOM 0 HA MET A 26 -6.177 -9.777 2.131 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.821 -10.513 0.837 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.173 -11.944 1.785 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.593 -10.866 0.486 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.344 -11.253 -0.680 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.954 -14.817 -1.234 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.428 -13.216 -1.848 1.00 0.00 H new ATOM 0 HE3 MET A 26 -4.728 -13.542 -1.432 1.00 0.00 H new ATOM 431 N MET A 27 -6.533 -11.745 3.712 1.00 0.00 N ATOM 432 CA MET A 27 -6.867 -12.591 4.846 1.00 0.00 C ATOM 433 C MET A 27 -6.966 -11.770 6.133 1.00 0.00 C ATOM 434 O MET A 27 -8.063 -11.430 6.574 1.00 0.00 O ATOM 435 CB MET A 27 -5.795 -13.671 5.010 1.00 0.00 C ATOM 436 CG MET A 27 -5.846 -14.674 3.855 1.00 0.00 C ATOM 437 SD MET A 27 -6.667 -16.169 4.381 1.00 0.00 S ATOM 438 CE MET A 27 -5.307 -17.005 5.179 1.00 0.00 C ATOM 0 H MET A 27 -7.208 -11.770 2.948 1.00 0.00 H new ATOM 0 HA MET A 27 -7.836 -13.053 4.658 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.809 -13.207 5.050 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.941 -14.192 5.956 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.374 -14.238 3.007 1.00 0.00 H new ATOM 0 HG3 MET A 27 -4.836 -14.904 3.517 1.00 0.00 H new ATOM 0 HE1 MET A 27 -5.648 -17.964 5.568 1.00 0.00 H new ATOM 0 HE2 MET A 27 -4.507 -17.170 4.457 1.00 0.00 H new ATOM 0 HE3 MET A 27 -4.934 -16.392 6.000 1.00 0.00 H new ATOM 448 N SER A 28 -5.805 -11.475 6.700 1.00 0.00 N ATOM 449 CA SER A 28 -5.748 -10.700 7.927 1.00 0.00 C ATOM 450 C SER A 28 -4.532 -9.771 7.903 1.00 0.00 C ATOM 451 O SER A 28 -3.429 -10.194 7.559 1.00 0.00 O ATOM 452 CB SER A 28 -5.691 -11.614 9.153 1.00 0.00 C ATOM 453 OG SER A 28 -6.959 -12.197 9.443 1.00 0.00 O ATOM 0 H SER A 28 -4.897 -11.759 6.332 1.00 0.00 H new ATOM 0 HA SER A 28 -6.656 -10.100 7.995 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.959 -12.404 8.983 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.349 -11.043 10.016 1.00 0.00 H new ATOM 0 HG SER A 28 -7.575 -12.026 8.700 1.00 0.00 H new ATOM 459 N ASP A 29 -4.775 -8.522 8.272 1.00 0.00 N ATOM 460 CA ASP A 29 -3.715 -7.529 8.297 1.00 0.00 C ATOM 461 C ASP A 29 -2.800 -7.797 9.493 1.00 0.00 C ATOM 462 O ASP A 29 -1.633 -7.407 9.486 1.00 0.00 O ATOM 463 CB ASP A 29 -4.285 -6.117 8.444 1.00 0.00 C ATOM 464 CG ASP A 29 -5.534 -6.013 9.323 1.00 0.00 C ATOM 465 OD1 ASP A 29 -6.570 -6.574 8.906 1.00 0.00 O ATOM 466 OD2 ASP A 29 -5.423 -5.374 10.392 1.00 0.00 O ATOM 0 H ASP A 29 -5.691 -8.175 8.556 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.165 -7.599 7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.512 -5.470 8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.524 -5.732 7.452 1.00 0.00 H new ATOM 471 N LEU A 30 -3.363 -8.459 10.492 1.00 0.00 N ATOM 472 CA LEU A 30 -2.613 -8.783 11.694 1.00 0.00 C ATOM 473 C LEU A 30 -1.220 -9.280 11.300 1.00 0.00 C ATOM 474 O LEU A 30 -0.268 -9.139 12.066 1.00 0.00 O ATOM 475 CB LEU A 30 -3.394 -9.768 12.565 1.00 0.00 C ATOM 476 CG LEU A 30 -4.613 -9.198 13.294 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.594 -10.309 13.672 1.00 0.00 C ATOM 478 CD2 LEU A 30 -4.188 -8.370 14.508 1.00 0.00 C ATOM 0 H LEU A 30 -4.331 -8.781 10.494 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.474 -7.893 12.308 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.725 -10.595 11.937 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.713 -10.185 13.307 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.135 -8.526 12.613 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.451 -9.877 14.189 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.933 -10.818 12.770 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.098 -11.025 14.328 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.073 -7.977 15.008 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.630 -9.000 15.201 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.558 -7.543 14.182 1.00 0.00 H new ATOM 490 N THR A 31 -1.146 -9.853 10.108 1.00 0.00 N ATOM 491 CA THR A 31 0.114 -10.372 9.604 1.00 0.00 C ATOM 492 C THR A 31 0.669 -9.458 8.509 1.00 0.00 C ATOM 493 O THR A 31 0.033 -8.473 8.138 1.00 0.00 O ATOM 494 CB THR A 31 -0.121 -11.809 9.135 1.00 0.00 C ATOM 495 OG1 THR A 31 -1.035 -11.675 8.050 1.00 0.00 O ATOM 496 CG2 THR A 31 -0.883 -12.645 10.165 1.00 0.00 C ATOM 0 H THR A 31 -1.938 -9.969 9.476 1.00 0.00 H new ATOM 0 HA THR A 31 0.875 -10.389 10.384 1.00 0.00 H new ATOM 0 HB THR A 31 0.838 -12.282 8.923 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.241 -12.561 7.685 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.023 -13.656 9.782 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.314 -12.685 11.094 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.856 -12.191 10.354 1.00 0.00 H new ATOM 504 N ILE A 32 1.847 -9.817 8.023 1.00 0.00 N ATOM 505 CA ILE A 32 2.494 -9.042 6.979 1.00 0.00 C ATOM 506 C ILE A 32 1.547 -8.914 5.784 1.00 0.00 C ATOM 507 O ILE A 32 0.722 -9.795 5.546 1.00 0.00 O ATOM 508 CB ILE A 32 3.854 -9.648 6.625 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.995 -8.809 7.203 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.991 -9.841 5.114 1.00 0.00 C ATOM 511 CD1 ILE A 32 5.163 -9.068 8.700 1.00 0.00 C ATOM 0 H ILE A 32 2.371 -10.635 8.333 1.00 0.00 H new ATOM 0 HA ILE A 32 2.704 -8.031 7.330 1.00 0.00 H new ATOM 0 HB ILE A 32 3.918 -10.635 7.082 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.924 -9.045 6.683 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.795 -7.751 7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.966 -10.273 4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.207 -10.511 4.760 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.897 -8.877 4.614 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.981 -8.459 9.085 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.241 -8.808 9.220 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.387 -10.122 8.864 1.00 0.00 H new ATOM 523 N PRO A 33 1.699 -7.812 5.064 1.00 0.00 N ATOM 524 CA PRO A 33 0.852 -7.558 3.855 1.00 0.00 C ATOM 525 C PRO A 33 0.965 -8.496 2.605 1.00 0.00 C ATOM 526 O PRO A 33 1.703 -9.480 2.626 1.00 0.00 O ATOM 527 CB PRO A 33 1.184 -6.085 3.524 1.00 0.00 C ATOM 528 CG PRO A 33 2.592 -5.841 4.069 1.00 0.00 C ATOM 529 CD PRO A 33 2.670 -6.716 5.319 1.00 0.00 C ATOM 0 HA PRO A 33 -0.185 -7.783 4.104 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.145 -5.908 2.449 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.464 -5.409 3.985 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.354 -6.119 3.341 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.749 -4.789 4.309 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.677 -7.105 5.470 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.408 -6.153 6.215 1.00 0.00 H new ATOM 537 N VAL A 34 0.219 -8.141 1.569 1.00 0.00 N ATOM 538 CA VAL A 34 0.223 -8.917 0.342 1.00 0.00 C ATOM 539 C VAL A 34 0.698 -8.035 -0.814 1.00 0.00 C ATOM 540 O VAL A 34 1.491 -8.472 -1.648 1.00 0.00 O ATOM 541 CB VAL A 34 -1.162 -9.524 0.101 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.413 -10.704 1.041 1.00 0.00 C ATOM 543 CG2 VAL A 34 -2.256 -8.464 0.244 1.00 0.00 C ATOM 0 H VAL A 34 -0.393 -7.325 1.555 1.00 0.00 H new ATOM 0 HA VAL A 34 0.920 -9.751 0.421 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.192 -9.899 -0.922 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.403 -11.117 0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.660 -11.473 0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.355 -10.364 2.075 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.230 -8.920 0.068 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.228 -8.045 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.091 -7.670 -0.484 1.00 0.00 H new ATOM 553 N LYS A 35 0.194 -6.810 -0.827 1.00 0.00 N ATOM 554 CA LYS A 35 0.558 -5.863 -1.867 1.00 0.00 C ATOM 555 C LYS A 35 0.493 -4.442 -1.302 1.00 0.00 C ATOM 556 O LYS A 35 -0.201 -4.193 -0.318 1.00 0.00 O ATOM 557 CB LYS A 35 -0.311 -6.071 -3.109 1.00 0.00 C ATOM 558 CG LYS A 35 0.318 -7.099 -4.053 1.00 0.00 C ATOM 559 CD LYS A 35 0.330 -6.585 -5.494 1.00 0.00 C ATOM 560 CE LYS A 35 -0.410 -7.548 -6.425 1.00 0.00 C ATOM 561 NZ LYS A 35 0.128 -7.455 -7.800 1.00 0.00 N ATOM 0 H LYS A 35 -0.463 -6.451 -0.134 1.00 0.00 H new ATOM 0 HA LYS A 35 1.585 -6.031 -2.193 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.304 -6.406 -2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.438 -5.123 -3.631 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.337 -7.317 -3.732 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.239 -8.034 -4.001 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.137 -5.601 -5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.359 -6.465 -5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.309 -8.569 -6.057 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.475 -7.314 -6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.385 -8.115 -8.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.009 -6.484 -8.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.139 -7.700 -7.795 1.00 0.00 H new ATOM 575 N ARG A 36 1.223 -3.548 -1.951 1.00 0.00 N ATOM 576 CA ARG A 36 1.258 -2.158 -1.526 1.00 0.00 C ATOM 577 C ARG A 36 1.908 -1.290 -2.603 1.00 0.00 C ATOM 578 O ARG A 36 2.899 -1.688 -3.214 1.00 0.00 O ATOM 579 CB ARG A 36 2.034 -2.002 -0.217 1.00 0.00 C ATOM 580 CG ARG A 36 3.448 -2.573 -0.347 1.00 0.00 C ATOM 581 CD ARG A 36 4.429 -1.813 0.548 1.00 0.00 C ATOM 582 NE ARG A 36 5.110 -2.753 1.466 1.00 0.00 N ATOM 583 CZ ARG A 36 4.622 -3.129 2.655 1.00 0.00 C ATOM 584 NH1 ARG A 36 3.445 -2.646 3.079 1.00 0.00 N ATOM 585 NH2 ARG A 36 5.308 -3.987 3.421 1.00 0.00 N ATOM 0 H ARG A 36 1.795 -3.758 -2.769 1.00 0.00 H new ATOM 0 HA ARG A 36 0.230 -1.834 -1.366 1.00 0.00 H new ATOM 0 HB2 ARG A 36 2.087 -0.948 0.055 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.504 -2.513 0.587 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.445 -3.629 -0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.775 -2.512 -1.385 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.165 -1.293 -0.065 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.897 -1.053 1.121 1.00 0.00 H new ATOM 0 HE ARG A 36 6.008 -3.139 1.175 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.922 -1.993 2.496 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.073 -2.932 3.985 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.203 -4.355 3.099 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.935 -4.273 4.326 1.00 0.00 H new ATOM 599 N GLY A 37 1.324 -0.117 -2.806 1.00 0.00 N ATOM 600 CA GLY A 37 1.834 0.812 -3.799 1.00 0.00 C ATOM 601 C GLY A 37 1.254 2.211 -3.591 1.00 0.00 C ATOM 602 O GLY A 37 0.664 2.494 -2.548 1.00 0.00 O ATOM 0 H GLY A 37 0.502 0.210 -2.299 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.922 0.853 -3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.583 0.456 -4.798 1.00 0.00 H new ATOM 606 N CYS A 38 1.440 3.052 -4.598 1.00 0.00 N ATOM 607 CA CYS A 38 0.943 4.416 -4.538 1.00 0.00 C ATOM 608 C CYS A 38 -0.420 4.461 -5.229 1.00 0.00 C ATOM 609 O CYS A 38 -0.794 3.523 -5.934 1.00 0.00 O ATOM 610 CB CYS A 38 1.931 5.406 -5.157 1.00 0.00 C ATOM 611 SG CYS A 38 3.690 5.074 -4.780 1.00 0.00 S ATOM 0 H CYS A 38 1.929 2.814 -5.461 1.00 0.00 H new ATOM 0 HA CYS A 38 0.831 4.720 -3.497 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.799 5.401 -6.239 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.683 6.409 -4.811 1.00 0.00 H new ATOM 616 N ILE A 39 -1.127 5.559 -5.006 1.00 0.00 N ATOM 617 CA ILE A 39 -2.441 5.737 -5.598 1.00 0.00 C ATOM 618 C ILE A 39 -2.854 7.206 -5.478 1.00 0.00 C ATOM 619 O ILE A 39 -2.139 8.009 -4.880 1.00 0.00 O ATOM 620 CB ILE A 39 -3.445 4.763 -4.980 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.696 4.638 -5.854 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.786 5.166 -3.544 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.241 3.209 -5.827 1.00 0.00 C ATOM 0 H ILE A 39 -0.814 6.335 -4.423 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.415 5.498 -6.661 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.983 3.777 -4.936 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.461 5.330 -5.502 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.458 4.921 -6.879 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.502 4.457 -3.127 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.879 5.163 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.221 6.165 -3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.129 3.146 -6.455 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.482 2.523 -6.203 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.501 2.938 -4.804 1.00 0.00 H new ATOM 635 N ASP A 40 -4.007 7.512 -6.055 1.00 0.00 N ATOM 636 CA ASP A 40 -4.525 8.869 -6.020 1.00 0.00 C ATOM 637 C ASP A 40 -5.802 8.902 -5.179 1.00 0.00 C ATOM 638 O ASP A 40 -6.051 9.868 -4.459 1.00 0.00 O ATOM 639 CB ASP A 40 -4.871 9.364 -7.425 1.00 0.00 C ATOM 640 CG ASP A 40 -5.475 10.768 -7.487 1.00 0.00 C ATOM 641 OD1 ASP A 40 -6.488 10.981 -6.786 1.00 0.00 O ATOM 642 OD2 ASP A 40 -4.912 11.597 -8.233 1.00 0.00 O ATOM 0 H ASP A 40 -4.597 6.843 -6.550 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.756 9.511 -5.591 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.966 9.347 -8.033 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.572 8.663 -7.878 1.00 0.00 H new ATOM 647 N VAL A 41 -6.578 7.835 -5.299 1.00 0.00 N ATOM 648 CA VAL A 41 -7.824 7.730 -4.559 1.00 0.00 C ATOM 649 C VAL A 41 -7.920 6.340 -3.925 1.00 0.00 C ATOM 650 O VAL A 41 -7.721 5.331 -4.600 1.00 0.00 O ATOM 651 CB VAL A 41 -9.006 8.051 -5.476 1.00 0.00 C ATOM 652 CG1 VAL A 41 -9.209 6.947 -6.516 1.00 0.00 C ATOM 653 CG2 VAL A 41 -10.283 8.281 -4.664 1.00 0.00 C ATOM 0 H VAL A 41 -6.368 7.036 -5.897 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.850 8.460 -3.750 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.776 8.974 -6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -10.055 7.200 -7.155 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.310 6.851 -7.125 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.406 6.002 -6.010 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -11.108 8.507 -5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -10.518 7.383 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -10.134 9.117 -3.981 1.00 0.00 H new ATOM 663 N CYS A 42 -8.225 6.332 -2.636 1.00 0.00 N ATOM 664 CA CYS A 42 -8.349 5.084 -1.904 1.00 0.00 C ATOM 665 C CYS A 42 -9.574 4.335 -2.435 1.00 0.00 C ATOM 666 O CYS A 42 -10.693 4.841 -2.369 1.00 0.00 O ATOM 667 CB CYS A 42 -8.436 5.319 -0.395 1.00 0.00 C ATOM 668 SG CYS A 42 -7.994 3.872 0.635 1.00 0.00 S ATOM 0 H CYS A 42 -8.390 7.171 -2.080 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.457 4.478 -2.061 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.779 6.148 -0.132 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.452 5.626 -0.148 1.00 0.00 H new ATOM 673 N PRO A 43 -9.319 3.142 -2.953 1.00 0.00 N ATOM 674 CA PRO A 43 -10.419 2.154 -3.193 1.00 0.00 C ATOM 675 C PRO A 43 -11.210 1.548 -1.983 1.00 0.00 C ATOM 676 O PRO A 43 -10.746 1.602 -0.844 1.00 0.00 O ATOM 677 CB PRO A 43 -9.713 1.073 -4.041 1.00 0.00 C ATOM 678 CG PRO A 43 -8.390 1.694 -4.494 1.00 0.00 C ATOM 679 CD PRO A 43 -8.008 2.638 -3.356 1.00 0.00 C ATOM 0 HA PRO A 43 -11.256 2.674 -3.660 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.541 0.169 -3.457 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.324 0.787 -4.897 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.627 0.932 -4.652 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.504 2.231 -5.435 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.499 2.119 -2.544 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.345 3.436 -3.689 1.00 0.00 H new ATOM 687 N LYS A 44 -12.373 0.996 -2.294 1.00 0.00 N ATOM 688 CA LYS A 44 -13.214 0.395 -1.272 1.00 0.00 C ATOM 689 C LYS A 44 -12.622 -0.955 -0.861 1.00 0.00 C ATOM 690 O LYS A 44 -12.352 -1.803 -1.709 1.00 0.00 O ATOM 691 CB LYS A 44 -14.664 0.309 -1.754 1.00 0.00 C ATOM 692 CG LYS A 44 -15.140 1.655 -2.303 1.00 0.00 C ATOM 693 CD LYS A 44 -16.039 1.462 -3.525 1.00 0.00 C ATOM 694 CE LYS A 44 -15.206 1.215 -4.785 1.00 0.00 C ATOM 695 NZ LYS A 44 -15.989 0.453 -5.783 1.00 0.00 N ATOM 0 H LYS A 44 -12.753 0.952 -3.239 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.235 1.020 -0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.749 -0.454 -2.528 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.307 0.000 -0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.684 2.196 -1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.279 2.266 -2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.710 0.620 -3.358 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.663 2.344 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.890 2.167 -5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.301 0.665 -4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.409 0.294 -6.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -16.269 -0.463 -5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.840 0.992 -6.041 1.00 0.00 H new ATOM 709 N ASN A 45 -12.437 -1.111 0.442 1.00 0.00 N ATOM 710 CA ASN A 45 -11.882 -2.342 0.977 1.00 0.00 C ATOM 711 C ASN A 45 -12.950 -3.436 0.939 1.00 0.00 C ATOM 712 O ASN A 45 -14.131 -3.151 0.744 1.00 0.00 O ATOM 713 CB ASN A 45 -11.440 -2.163 2.431 1.00 0.00 C ATOM 714 CG ASN A 45 -10.815 -3.447 2.978 1.00 0.00 C ATOM 715 OD1 ASN A 45 -10.107 -4.164 2.291 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.117 -3.697 4.249 1.00 0.00 N ATOM 0 H ASN A 45 -12.662 -0.405 1.143 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.019 -2.614 0.370 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.720 -1.347 2.498 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.297 -1.883 3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.749 -4.532 4.706 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.716 -3.054 4.767 1.00 0.00 H new ATOM 723 N SER A 46 -12.498 -4.668 1.130 1.00 0.00 N ATOM 724 CA SER A 46 -13.401 -5.806 1.121 1.00 0.00 C ATOM 725 C SER A 46 -13.349 -6.526 2.470 1.00 0.00 C ATOM 726 O SER A 46 -12.698 -6.058 3.403 1.00 0.00 O ATOM 727 CB SER A 46 -13.054 -6.775 -0.011 1.00 0.00 C ATOM 728 OG SER A 46 -11.828 -7.461 0.231 1.00 0.00 O ATOM 0 H SER A 46 -11.518 -4.902 1.292 1.00 0.00 H new ATOM 0 HA SER A 46 -14.413 -5.438 0.951 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.859 -7.501 -0.127 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.983 -6.226 -0.950 1.00 0.00 H new ATOM 0 HG SER A 46 -11.080 -6.833 0.151 1.00 0.00 H new ATOM 734 N LEU A 47 -14.045 -7.652 2.531 1.00 0.00 N ATOM 735 CA LEU A 47 -14.087 -8.441 3.751 1.00 0.00 C ATOM 736 C LEU A 47 -13.007 -9.523 3.691 1.00 0.00 C ATOM 737 O LEU A 47 -12.777 -10.230 4.670 1.00 0.00 O ATOM 738 CB LEU A 47 -15.495 -8.991 3.985 1.00 0.00 C ATOM 739 CG LEU A 47 -16.634 -8.229 3.304 1.00 0.00 C ATOM 740 CD1 LEU A 47 -16.424 -6.718 3.408 1.00 0.00 C ATOM 741 CD2 LEU A 47 -16.809 -8.686 1.854 1.00 0.00 C ATOM 0 H LEU A 47 -14.584 -8.037 1.755 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.866 -7.816 4.616 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.521 -10.026 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.684 -9.005 5.058 1.00 0.00 H new ATOM 0 HG LEU A 47 -17.561 -8.460 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -17.248 -6.201 2.916 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -16.389 -6.427 4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.485 -6.447 2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -17.625 -8.129 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.887 -8.504 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -17.040 -9.751 1.834 1.00 0.00 H new ATOM 753 N LEU A 48 -12.373 -9.616 2.532 1.00 0.00 N ATOM 754 CA LEU A 48 -11.322 -10.600 2.331 1.00 0.00 C ATOM 755 C LEU A 48 -9.964 -9.894 2.321 1.00 0.00 C ATOM 756 O LEU A 48 -8.924 -10.541 2.433 1.00 0.00 O ATOM 757 CB LEU A 48 -11.595 -11.426 1.073 1.00 0.00 C ATOM 758 CG LEU A 48 -11.164 -12.894 1.128 1.00 0.00 C ATOM 759 CD1 LEU A 48 -9.665 -13.015 1.411 1.00 0.00 C ATOM 760 CD2 LEU A 48 -12.004 -13.674 2.142 1.00 0.00 C ATOM 0 H LEU A 48 -12.566 -9.027 1.722 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.305 -11.313 3.155 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.664 -11.389 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.089 -10.950 0.233 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.344 -13.340 0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.385 -14.068 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.104 -12.516 0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.437 -12.548 2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.678 -14.714 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.879 -13.236 3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -13.055 -13.629 1.856 1.00 0.00 H new ATOM 772 N VAL A 49 -10.018 -8.577 2.184 1.00 0.00 N ATOM 773 CA VAL A 49 -8.806 -7.777 2.157 1.00 0.00 C ATOM 774 C VAL A 49 -8.993 -6.545 3.045 1.00 0.00 C ATOM 775 O VAL A 49 -10.109 -6.244 3.469 1.00 0.00 O ATOM 776 CB VAL A 49 -8.443 -7.424 0.713 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.943 -7.158 0.574 1.00 0.00 C ATOM 778 CG2 VAL A 49 -8.897 -8.522 -0.250 1.00 0.00 C ATOM 0 H VAL A 49 -10.883 -8.044 2.091 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.966 -8.343 2.559 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.971 -6.508 0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.712 -6.909 -0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.660 -6.326 1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.387 -8.049 0.866 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.627 -8.246 -1.269 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.410 -9.461 0.013 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.978 -8.642 -0.181 1.00 0.00 H new ATOM 788 N LYS A 50 -7.885 -5.866 3.301 1.00 0.00 N ATOM 789 CA LYS A 50 -7.913 -4.673 4.131 1.00 0.00 C ATOM 790 C LYS A 50 -7.003 -3.608 3.516 1.00 0.00 C ATOM 791 O LYS A 50 -5.779 -3.729 3.564 1.00 0.00 O ATOM 792 CB LYS A 50 -7.563 -5.020 5.580 1.00 0.00 C ATOM 793 CG LYS A 50 -8.707 -5.780 6.253 1.00 0.00 C ATOM 794 CD LYS A 50 -9.039 -5.174 7.618 1.00 0.00 C ATOM 795 CE LYS A 50 -10.186 -4.167 7.506 1.00 0.00 C ATOM 796 NZ LYS A 50 -10.995 -4.164 8.745 1.00 0.00 N ATOM 0 H LYS A 50 -6.962 -6.119 2.949 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.919 -4.254 4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.656 -5.624 5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.352 -4.106 6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.590 -5.754 5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.431 -6.828 6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.312 -5.966 8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.156 -4.681 8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.786 -3.170 7.323 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.817 -4.418 6.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.769 -3.475 8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -11.392 -5.112 8.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.393 -3.902 9.552 1.00 0.00 H new ATOM 810 N TYR A 51 -7.635 -2.589 2.953 1.00 0.00 N ATOM 811 CA TYR A 51 -6.898 -1.503 2.330 1.00 0.00 C ATOM 812 C TYR A 51 -6.481 -0.457 3.367 1.00 0.00 C ATOM 813 O TYR A 51 -7.297 -0.023 4.178 1.00 0.00 O ATOM 814 CB TYR A 51 -7.859 -0.858 1.332 1.00 0.00 C ATOM 815 CG TYR A 51 -7.908 -1.559 -0.027 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.056 -2.930 -0.092 1.00 0.00 C ATOM 817 CD2 TYR A 51 -7.804 -0.821 -1.189 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.101 -3.589 -1.372 1.00 0.00 C ATOM 819 CE2 TYR A 51 -7.849 -1.480 -2.468 1.00 0.00 C ATOM 820 CZ TYR A 51 -7.996 -2.833 -2.497 1.00 0.00 C ATOM 821 OH TYR A 51 -8.038 -3.456 -3.704 1.00 0.00 O ATOM 0 H TYR A 51 -8.650 -2.492 2.915 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.992 -1.878 1.855 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.861 -0.850 1.761 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.568 0.182 1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.138 -3.508 0.816 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.689 0.252 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.216 -4.661 -1.437 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -7.768 -0.914 -3.384 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.952 -2.791 -4.419 1.00 0.00 H new ATOM 831 N VAL A 52 -5.212 -0.082 3.306 1.00 0.00 N ATOM 832 CA VAL A 52 -4.677 0.903 4.229 1.00 0.00 C ATOM 833 C VAL A 52 -3.984 2.015 3.436 1.00 0.00 C ATOM 834 O VAL A 52 -2.838 1.861 3.018 1.00 0.00 O ATOM 835 CB VAL A 52 -3.751 0.226 5.241 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.476 1.145 6.433 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.331 -1.112 5.703 1.00 0.00 C ATOM 0 H VAL A 52 -4.538 -0.443 2.631 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.481 1.364 4.803 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.801 0.027 4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.815 0.640 7.137 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.001 2.062 6.084 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.416 1.389 6.928 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.654 -1.573 6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.300 -0.946 6.173 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.453 -1.772 4.844 1.00 0.00 H new ATOM 847 N CYS A 53 -4.709 3.109 3.255 1.00 0.00 N ATOM 848 CA CYS A 53 -4.180 4.245 2.520 1.00 0.00 C ATOM 849 C CYS A 53 -3.567 5.222 3.524 1.00 0.00 C ATOM 850 O CYS A 53 -4.026 5.319 4.662 1.00 0.00 O ATOM 851 CB CYS A 53 -5.253 4.911 1.656 1.00 0.00 C ATOM 852 SG CYS A 53 -5.916 3.860 0.312 1.00 0.00 S ATOM 0 H CYS A 53 -5.659 3.233 3.605 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.410 3.906 1.827 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.078 5.218 2.299 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.836 5.817 1.217 1.00 0.00 H new ATOM 857 N CYS A 54 -2.541 5.924 3.068 1.00 0.00 N ATOM 858 CA CYS A 54 -1.861 6.891 3.912 1.00 0.00 C ATOM 859 C CYS A 54 -1.207 7.941 3.011 1.00 0.00 C ATOM 860 O CYS A 54 -1.166 7.780 1.792 1.00 0.00 O ATOM 861 CB CYS A 54 -0.842 6.219 4.836 1.00 0.00 C ATOM 862 SG CYS A 54 -0.329 4.541 4.320 1.00 0.00 S ATOM 0 H CYS A 54 -2.164 5.842 2.124 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.584 7.376 4.568 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.044 6.851 4.898 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.264 6.162 5.839 1.00 0.00 H new ATOM 867 N ASN A 55 -0.712 8.994 3.645 1.00 0.00 N ATOM 868 CA ASN A 55 -0.062 10.070 2.916 1.00 0.00 C ATOM 869 C ASN A 55 1.255 10.426 3.607 1.00 0.00 C ATOM 870 O ASN A 55 1.762 11.537 3.450 1.00 0.00 O ATOM 871 CB ASN A 55 -0.937 11.325 2.889 1.00 0.00 C ATOM 872 CG ASN A 55 -0.946 12.016 4.254 1.00 0.00 C ATOM 873 OD1 ASN A 55 -0.217 12.962 4.504 1.00 0.00 O ATOM 874 ND2 ASN A 55 -1.809 11.493 5.120 1.00 0.00 N ATOM 0 H ASN A 55 -0.748 9.125 4.656 1.00 0.00 H new ATOM 0 HA ASN A 55 0.110 9.729 1.895 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.567 12.015 2.131 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.955 11.057 2.606 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.890 11.884 6.059 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.390 10.701 4.846 1.00 0.00 H new ATOM 881 N THR A 56 1.772 9.464 4.358 1.00 0.00 N ATOM 882 CA THR A 56 3.021 9.663 5.074 1.00 0.00 C ATOM 883 C THR A 56 4.156 8.901 4.388 1.00 0.00 C ATOM 884 O THR A 56 3.976 7.759 3.968 1.00 0.00 O ATOM 885 CB THR A 56 2.802 9.247 6.529 1.00 0.00 C ATOM 886 OG1 THR A 56 2.095 8.014 6.436 1.00 0.00 O ATOM 887 CG2 THR A 56 1.834 10.176 7.265 1.00 0.00 C ATOM 0 H THR A 56 1.349 8.545 4.486 1.00 0.00 H new ATOM 0 HA THR A 56 3.322 10.711 5.062 1.00 0.00 H new ATOM 0 HB THR A 56 3.760 9.234 7.050 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.913 7.672 7.336 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.714 9.836 8.293 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.231 11.191 7.263 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.866 10.164 6.764 1.00 0.00 H new ATOM 895 N ASP A 57 5.299 9.563 4.295 1.00 0.00 N ATOM 896 CA ASP A 57 6.463 8.963 3.667 1.00 0.00 C ATOM 897 C ASP A 57 6.873 7.714 4.451 1.00 0.00 C ATOM 898 O ASP A 57 7.192 7.798 5.636 1.00 0.00 O ATOM 899 CB ASP A 57 7.650 9.930 3.666 1.00 0.00 C ATOM 900 CG ASP A 57 7.345 11.326 3.119 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.142 11.422 1.889 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.321 12.265 3.943 1.00 0.00 O ATOM 0 H ASP A 57 5.444 10.510 4.644 1.00 0.00 H new ATOM 0 HA ASP A 57 6.200 8.714 2.639 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.020 10.029 4.687 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.455 9.493 3.076 1.00 0.00 H new ATOM 907 N ARG A 58 6.851 6.585 3.759 1.00 0.00 N ATOM 908 CA ARG A 58 7.216 5.321 4.374 1.00 0.00 C ATOM 909 C ARG A 58 6.106 4.852 5.319 1.00 0.00 C ATOM 910 O ARG A 58 6.385 4.295 6.380 1.00 0.00 O ATOM 911 CB ARG A 58 8.524 5.448 5.158 1.00 0.00 C ATOM 912 CG ARG A 58 9.462 6.461 4.500 1.00 0.00 C ATOM 913 CD ARG A 58 10.922 6.158 4.839 1.00 0.00 C ATOM 914 NE ARG A 58 11.593 7.382 5.330 1.00 0.00 N ATOM 915 CZ ARG A 58 11.483 7.848 6.582 1.00 0.00 C ATOM 916 NH1 ARG A 58 10.728 7.196 7.476 1.00 0.00 N ATOM 917 NH2 ARG A 58 12.128 8.967 6.939 1.00 0.00 N ATOM 0 H ARG A 58 6.585 6.519 2.776 1.00 0.00 H new ATOM 0 HA ARG A 58 7.353 4.590 3.577 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.310 5.757 6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.014 4.476 5.214 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.324 6.440 3.419 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.209 7.467 4.834 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.973 5.377 5.597 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.438 5.780 3.956 1.00 0.00 H new ATOM 0 HE ARG A 58 12.175 7.904 4.675 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.237 6.345 7.204 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.645 7.551 8.429 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.702 9.464 6.258 1.00 0.00 H new ATOM 0 HH22 ARG A 58 12.045 9.322 7.892 1.00 0.00 H new ATOM 931 N CYS A 59 4.873 5.093 4.898 1.00 0.00 N ATOM 932 CA CYS A 59 3.722 4.701 5.693 1.00 0.00 C ATOM 933 C CYS A 59 3.536 3.189 5.557 1.00 0.00 C ATOM 934 O CYS A 59 3.090 2.528 6.493 1.00 0.00 O ATOM 935 CB CYS A 59 2.464 5.470 5.282 1.00 0.00 C ATOM 936 SG CYS A 59 1.591 4.790 3.824 1.00 0.00 S ATOM 0 H CYS A 59 4.646 5.555 4.017 1.00 0.00 H new ATOM 0 HA CYS A 59 3.897 4.951 6.739 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.774 5.487 6.126 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.739 6.504 5.074 1.00 0.00 H new ATOM 941 N ASN A 60 3.888 2.685 4.383 1.00 0.00 N ATOM 942 CA ASN A 60 3.766 1.262 4.113 1.00 0.00 C ATOM 943 C ASN A 60 5.132 0.595 4.289 1.00 0.00 C ATOM 944 O ASN A 60 5.371 -0.487 3.755 1.00 0.00 O ATOM 945 CB ASN A 60 3.299 1.013 2.678 1.00 0.00 C ATOM 946 CG ASN A 60 4.411 1.333 1.676 1.00 0.00 C ATOM 947 OD1 ASN A 60 5.501 1.749 2.031 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.075 1.114 0.407 1.00 0.00 N ATOM 0 H ASN A 60 4.257 3.236 3.608 1.00 0.00 H new ATOM 0 HA ASN A 60 3.035 0.848 4.807 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.993 -0.027 2.567 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.424 1.627 2.465 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.748 1.295 -0.337 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.144 0.765 0.179 1.00 0.00 H new TER 955 ASN A 60