USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 440 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 8 ASN : amide:sc= -0.146 K(o=-0.15,f=-2.1!) USER MOD Set 1.2: A 11 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 4 THR OG1 : rot 160:sc= 0.934 USER MOD Set 2.2: A 39 GLN : amide:sc= 1.12 X(o=2.1,f=1.8) USER MOD Single : A 3 THR OG1 : rot 114:sc= 0.0821 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0677 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 103:sc= -0.765! USER MOD Single : A 21 GLN : amide:sc= -1.34! K(o=-1.3!,f=-0.25) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0896 USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0.113 USER MOD Single : A 26 SER OG : rot 180:sc= 0.119 USER MOD Single : A 28 SER OG : rot 180:sc= -0.634 USER MOD Single : A 38 SER OG : rot -40:sc= 0.808 USER MOD Single : A 43 SER OG : rot 180:sc= 0.104 USER MOD Single : A 45 LYS NZ :NH3+ -111:sc= 1.09 (180deg=-1.18) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 53 ASN : amide:sc= 0.32 K(o=0.32,f=-1.7!) USER MOD Single : A 54 THR OG1 : rot 84:sc= 1.24 USER MOD Single : A 56 ASN : amide:sc= -0.0684 K(o=-0.068,f=-1.3) USER MOD Single : A 57 SER OG : rot 180:sc= 0.0387 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 14 N ALA A 2 0.114 13.210 -5.571 1.00 0.00 N ATOM 15 CA ALA A 2 1.277 12.338 -5.504 1.00 0.00 C ATOM 16 C ALA A 2 2.058 12.605 -4.226 1.00 0.00 C ATOM 17 O ALA A 2 2.393 13.749 -3.922 1.00 0.00 O ATOM 18 CB ALA A 2 2.161 12.534 -6.726 1.00 0.00 C ATOM 0 HA ALA A 2 0.938 11.302 -5.493 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.026 11.874 -6.659 1.00 0.00 H new ATOM 0 HB2 ALA A 2 1.594 12.299 -7.627 1.00 0.00 H new ATOM 0 HB3 ALA A 2 2.498 13.570 -6.769 1.00 0.00 H new ATOM 24 N THR A 3 2.336 11.554 -3.475 1.00 0.00 N ATOM 25 CA THR A 3 2.969 11.699 -2.173 1.00 0.00 C ATOM 26 C THR A 3 4.477 11.922 -2.270 1.00 0.00 C ATOM 27 O THR A 3 5.033 12.723 -1.518 1.00 0.00 O ATOM 28 CB THR A 3 2.697 10.466 -1.303 1.00 0.00 C ATOM 29 OG1 THR A 3 1.581 9.741 -1.841 1.00 0.00 O ATOM 30 CG2 THR A 3 2.405 10.870 0.135 1.00 0.00 C ATOM 0 H THR A 3 2.134 10.591 -3.743 1.00 0.00 H new ATOM 0 HA THR A 3 2.530 12.586 -1.715 1.00 0.00 H new ATOM 0 HB THR A 3 3.585 9.833 -1.306 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.886 8.871 -2.173 1.00 0.00 H new ATOM 0 HG21 THR A 3 2.215 9.978 0.732 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.262 11.405 0.544 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.528 11.517 0.160 1.00 0.00 H new ATOM 38 N THR A 4 5.128 11.222 -3.198 1.00 0.00 N ATOM 39 CA THR A 4 6.585 11.259 -3.313 1.00 0.00 C ATOM 40 C THR A 4 7.234 10.850 -1.989 1.00 0.00 C ATOM 41 O THR A 4 7.779 11.679 -1.261 1.00 0.00 O ATOM 42 CB THR A 4 7.088 12.660 -3.732 1.00 0.00 C ATOM 43 OG1 THR A 4 6.247 13.191 -4.765 1.00 0.00 O ATOM 44 CG2 THR A 4 8.527 12.600 -4.227 1.00 0.00 C ATOM 0 H THR A 4 4.668 10.621 -3.882 1.00 0.00 H new ATOM 0 HA THR A 4 6.871 10.550 -4.090 1.00 0.00 H new ATOM 0 HB THR A 4 7.051 13.309 -2.857 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.353 14.164 -4.805 1.00 0.00 H new ATOM 0 HG21 THR A 4 8.855 13.599 -4.515 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.170 12.222 -3.432 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.588 11.936 -5.089 1.00 0.00 H new ATOM 52 N ILE A 5 7.152 9.563 -1.681 1.00 0.00 N ATOM 53 CA ILE A 5 7.645 9.043 -0.412 1.00 0.00 C ATOM 54 C ILE A 5 9.125 8.677 -0.494 1.00 0.00 C ATOM 55 O ILE A 5 9.707 8.633 -1.582 1.00 0.00 O ATOM 56 CB ILE A 5 6.855 7.788 0.026 1.00 0.00 C ATOM 57 CG1 ILE A 5 6.956 6.700 -1.043 1.00 0.00 C ATOM 58 CG2 ILE A 5 5.397 8.129 0.299 1.00 0.00 C ATOM 59 CD1 ILE A 5 7.227 5.324 -0.487 1.00 0.00 C ATOM 0 H ILE A 5 6.747 8.857 -2.295 1.00 0.00 H new ATOM 0 HA ILE A 5 7.508 9.837 0.321 1.00 0.00 H new ATOM 0 HB ILE A 5 7.294 7.415 0.951 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.027 6.675 -1.612 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.751 6.963 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.864 7.229 0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.340 8.873 1.094 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.941 8.530 -0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.285 4.606 -1.305 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.171 5.331 0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 5 6.421 5.039 0.189 1.00 0.00 H new ATOM 71 N GLY A 6 9.730 8.438 0.663 1.00 0.00 N ATOM 72 CA GLY A 6 11.075 7.904 0.705 1.00 0.00 C ATOM 73 C GLY A 6 11.047 6.389 0.696 1.00 0.00 C ATOM 74 O GLY A 6 9.976 5.806 0.591 1.00 0.00 O ATOM 0 H GLY A 6 9.309 8.606 1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 6 11.644 8.268 -0.151 1.00 0.00 H new ATOM 0 HA3 GLY A 6 11.585 8.259 1.601 1.00 0.00 H new ATOM 78 N PRO A 7 12.190 5.714 0.854 1.00 0.00 N ATOM 79 CA PRO A 7 12.254 4.252 0.758 1.00 0.00 C ATOM 80 C PRO A 7 11.750 3.547 2.019 1.00 0.00 C ATOM 81 O PRO A 7 11.898 2.334 2.160 1.00 0.00 O ATOM 82 CB PRO A 7 13.745 3.991 0.559 1.00 0.00 C ATOM 83 CG PRO A 7 14.419 5.116 1.266 1.00 0.00 C ATOM 84 CD PRO A 7 13.512 6.310 1.119 1.00 0.00 C ATOM 0 HA PRO A 7 11.619 3.868 -0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 7 14.038 3.028 0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 7 14.007 3.973 -0.499 1.00 0.00 H new ATOM 0 HG2 PRO A 7 14.578 4.875 2.317 1.00 0.00 H new ATOM 0 HG3 PRO A 7 15.399 5.316 0.833 1.00 0.00 H new ATOM 0 HD2 PRO A 7 13.503 6.919 2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 7 13.831 6.957 0.302 1.00 0.00 H new ATOM 92 N ASN A 8 11.154 4.315 2.927 1.00 0.00 N ATOM 93 CA ASN A 8 10.590 3.764 4.154 1.00 0.00 C ATOM 94 C ASN A 8 9.760 4.814 4.885 1.00 0.00 C ATOM 95 O ASN A 8 10.259 5.501 5.772 1.00 0.00 O ATOM 96 CB ASN A 8 11.702 3.253 5.078 1.00 0.00 C ATOM 97 CG ASN A 8 11.268 2.060 5.907 1.00 0.00 C ATOM 98 OD1 ASN A 8 10.298 1.378 5.579 1.00 0.00 O ATOM 99 ND2 ASN A 8 11.986 1.799 6.988 1.00 0.00 N ATOM 0 H ASN A 8 11.049 5.325 2.835 1.00 0.00 H new ATOM 0 HA ASN A 8 9.944 2.930 3.880 1.00 0.00 H new ATOM 0 HB2 ASN A 8 12.570 2.978 4.479 1.00 0.00 H new ATOM 0 HB3 ASN A 8 12.016 4.058 5.743 1.00 0.00 H new ATOM 0 HD21 ASN A 8 11.742 1.008 7.584 1.00 0.00 H new ATOM 0 HD22 ASN A 8 12.783 2.389 7.225 1.00 0.00 H new ATOM 106 N THR A 9 8.499 4.951 4.503 1.00 0.00 N ATOM 107 CA THR A 9 7.610 5.913 5.145 1.00 0.00 C ATOM 108 C THR A 9 7.076 5.382 6.477 1.00 0.00 C ATOM 109 O THR A 9 6.953 6.128 7.449 1.00 0.00 O ATOM 110 CB THR A 9 6.430 6.259 4.224 1.00 0.00 C ATOM 111 OG1 THR A 9 6.777 5.949 2.868 1.00 0.00 O ATOM 112 CG2 THR A 9 6.059 7.730 4.338 1.00 0.00 C ATOM 0 H THR A 9 8.067 4.410 3.754 1.00 0.00 H new ATOM 0 HA THR A 9 8.194 6.812 5.340 1.00 0.00 H new ATOM 0 HB THR A 9 5.567 5.667 4.530 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.024 6.168 2.280 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.221 7.946 3.675 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.776 7.955 5.366 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.914 8.344 4.054 1.00 0.00 H new ATOM 120 N CYS A 10 6.774 4.092 6.521 1.00 0.00 N ATOM 121 CA CYS A 10 6.248 3.477 7.730 1.00 0.00 C ATOM 122 C CYS A 10 7.180 2.375 8.208 1.00 0.00 C ATOM 123 O CYS A 10 7.462 1.431 7.472 1.00 0.00 O ATOM 124 CB CYS A 10 4.850 2.906 7.481 1.00 0.00 C ATOM 125 SG CYS A 10 3.610 4.146 6.976 1.00 0.00 S ATOM 0 H CYS A 10 6.884 3.452 5.734 1.00 0.00 H new ATOM 0 HA CYS A 10 6.179 4.244 8.502 1.00 0.00 H new ATOM 0 HB2 CYS A 10 4.916 2.140 6.708 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.505 2.413 8.390 1.00 0.00 H new ATOM 130 N SER A 11 7.657 2.502 9.438 1.00 0.00 N ATOM 131 CA SER A 11 8.584 1.534 10.005 1.00 0.00 C ATOM 132 C SER A 11 8.247 1.269 11.470 1.00 0.00 C ATOM 133 O SER A 11 9.133 1.157 12.315 1.00 0.00 O ATOM 134 CB SER A 11 10.024 2.042 9.871 1.00 0.00 C ATOM 135 OG SER A 11 10.078 3.235 9.101 1.00 0.00 O ATOM 0 H SER A 11 7.416 3.270 10.065 1.00 0.00 H new ATOM 0 HA SER A 11 8.491 0.597 9.456 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.441 2.226 10.861 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.641 1.275 9.402 1.00 0.00 H new ATOM 0 HG SER A 11 11.007 3.538 9.032 1.00 0.00 H new ATOM 141 N ILE A 12 6.956 1.175 11.762 1.00 0.00 N ATOM 142 CA ILE A 12 6.489 0.924 13.122 1.00 0.00 C ATOM 143 C ILE A 12 6.898 -0.475 13.580 1.00 0.00 C ATOM 144 O ILE A 12 7.522 -0.646 14.630 1.00 0.00 O ATOM 145 CB ILE A 12 4.952 1.058 13.220 1.00 0.00 C ATOM 146 CG1 ILE A 12 4.500 2.413 12.679 1.00 0.00 C ATOM 147 CG2 ILE A 12 4.485 0.879 14.657 1.00 0.00 C ATOM 148 CD1 ILE A 12 3.578 2.308 11.486 1.00 0.00 C ATOM 0 H ILE A 12 6.210 1.269 11.073 1.00 0.00 H new ATOM 0 HA ILE A 12 6.951 1.671 13.768 1.00 0.00 H new ATOM 0 HB ILE A 12 4.502 0.272 12.614 1.00 0.00 H new ATOM 0 HG12 ILE A 12 3.993 2.962 13.473 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.378 2.995 12.400 1.00 0.00 H new ATOM 0 HG21 ILE A 12 3.400 0.977 14.702 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.775 -0.110 15.013 1.00 0.00 H new ATOM 0 HG23 ILE A 12 4.945 1.641 15.287 1.00 0.00 H new ATOM 0 HD11 ILE A 12 3.297 3.308 11.154 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.089 1.787 10.676 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.682 1.753 11.766 1.00 0.00 H new ATOM 160 N ASP A 13 6.560 -1.461 12.764 1.00 0.00 N ATOM 161 CA ASP A 13 6.841 -2.858 13.071 1.00 0.00 C ATOM 162 C ASP A 13 6.850 -3.661 11.779 1.00 0.00 C ATOM 163 O ASP A 13 7.746 -3.509 10.954 1.00 0.00 O ATOM 164 CB ASP A 13 5.786 -3.412 14.041 1.00 0.00 C ATOM 165 CG ASP A 13 6.200 -4.717 14.701 1.00 0.00 C ATOM 166 OD1 ASP A 13 7.053 -5.436 14.143 1.00 0.00 O ATOM 167 OD2 ASP A 13 5.659 -5.027 15.779 1.00 0.00 O ATOM 0 H ASP A 13 6.085 -1.318 11.873 1.00 0.00 H new ATOM 0 HA ASP A 13 7.817 -2.936 13.550 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.588 -2.669 14.814 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.852 -3.567 13.501 1.00 0.00 H new ATOM 172 N ASP A 14 5.831 -4.485 11.595 1.00 0.00 N ATOM 173 CA ASP A 14 5.680 -5.258 10.369 1.00 0.00 C ATOM 174 C ASP A 14 4.990 -4.414 9.309 1.00 0.00 C ATOM 175 O ASP A 14 4.989 -4.748 8.124 1.00 0.00 O ATOM 176 CB ASP A 14 4.861 -6.521 10.641 1.00 0.00 C ATOM 177 CG ASP A 14 5.554 -7.784 10.176 1.00 0.00 C ATOM 178 OD1 ASP A 14 6.782 -7.898 10.355 1.00 0.00 O ATOM 179 OD2 ASP A 14 4.868 -8.679 9.645 1.00 0.00 O ATOM 0 H ASP A 14 5.092 -4.637 12.281 1.00 0.00 H new ATOM 0 HA ASP A 14 6.668 -5.548 10.010 1.00 0.00 H new ATOM 0 HB2 ASP A 14 4.661 -6.595 11.710 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.896 -6.437 10.141 1.00 0.00 H new ATOM 184 N TYR A 15 4.413 -3.309 9.759 1.00 0.00 N ATOM 185 CA TYR A 15 3.656 -2.416 8.898 1.00 0.00 C ATOM 186 C TYR A 15 4.585 -1.508 8.102 1.00 0.00 C ATOM 187 O TYR A 15 5.282 -0.663 8.667 1.00 0.00 O ATOM 188 CB TYR A 15 2.683 -1.581 9.734 1.00 0.00 C ATOM 189 CG TYR A 15 2.027 -2.366 10.849 1.00 0.00 C ATOM 190 CD1 TYR A 15 1.042 -3.304 10.573 1.00 0.00 C ATOM 191 CD2 TYR A 15 2.402 -2.178 12.173 1.00 0.00 C ATOM 192 CE1 TYR A 15 0.447 -4.032 11.584 1.00 0.00 C ATOM 193 CE2 TYR A 15 1.814 -2.904 13.191 1.00 0.00 C ATOM 194 CZ TYR A 15 0.836 -3.830 12.891 1.00 0.00 C ATOM 195 OH TYR A 15 0.252 -4.561 13.900 1.00 0.00 O ATOM 0 H TYR A 15 4.457 -3.007 10.732 1.00 0.00 H new ATOM 0 HA TYR A 15 3.088 -3.021 8.191 1.00 0.00 H new ATOM 0 HB2 TYR A 15 3.218 -0.733 10.162 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.910 -1.175 9.082 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.736 -3.467 9.550 1.00 0.00 H new ATOM 0 HD2 TYR A 15 3.166 -1.452 12.411 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.320 -4.756 11.352 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.118 -2.748 14.215 1.00 0.00 H new ATOM 0 HH TYR A 15 0.639 -4.298 14.761 1.00 0.00 H new ATOM 205 N LYS A 16 4.578 -1.698 6.792 1.00 0.00 N ATOM 206 CA LYS A 16 5.418 -0.934 5.881 1.00 0.00 C ATOM 207 C LYS A 16 4.587 0.165 5.213 1.00 0.00 C ATOM 208 O LYS A 16 3.380 0.244 5.446 1.00 0.00 O ATOM 209 CB LYS A 16 6.011 -1.878 4.828 1.00 0.00 C ATOM 210 CG LYS A 16 7.194 -2.688 5.331 1.00 0.00 C ATOM 211 CD LYS A 16 8.220 -1.812 6.033 1.00 0.00 C ATOM 212 CE LYS A 16 9.587 -2.479 6.075 1.00 0.00 C ATOM 213 NZ LYS A 16 9.682 -3.492 7.162 1.00 0.00 N ATOM 0 H LYS A 16 3.988 -2.389 6.328 1.00 0.00 H new ATOM 0 HA LYS A 16 6.232 -0.465 6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.233 -2.561 4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.324 -1.293 3.963 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.842 -3.457 6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 16 7.666 -3.201 4.493 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.297 -0.855 5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.886 -1.601 7.049 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.786 -2.957 5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.356 -1.720 6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.629 -3.921 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.518 -3.032 8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.966 -4.231 7.012 1.00 0.00 H new ATOM 227 N PRO A 17 5.197 1.031 4.378 1.00 0.00 N ATOM 228 CA PRO A 17 4.448 2.076 3.680 1.00 0.00 C ATOM 229 C PRO A 17 3.661 1.518 2.498 1.00 0.00 C ATOM 230 O PRO A 17 4.221 0.913 1.586 1.00 0.00 O ATOM 231 CB PRO A 17 5.539 3.028 3.192 1.00 0.00 C ATOM 232 CG PRO A 17 6.752 2.176 3.037 1.00 0.00 C ATOM 233 CD PRO A 17 6.646 1.096 4.081 1.00 0.00 C ATOM 0 HA PRO A 17 3.708 2.552 4.323 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.261 3.495 2.247 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.710 3.832 3.907 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.800 1.746 2.036 1.00 0.00 H new ATOM 0 HG3 PRO A 17 7.660 2.763 3.176 1.00 0.00 H new ATOM 0 HD2 PRO A 17 7.021 0.142 3.709 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.226 1.342 4.971 1.00 0.00 H new ATOM 241 N TYR A 18 2.355 1.707 2.536 1.00 0.00 N ATOM 242 CA TYR A 18 1.471 1.174 1.521 1.00 0.00 C ATOM 243 C TYR A 18 0.691 2.297 0.841 1.00 0.00 C ATOM 244 O TYR A 18 -0.175 2.921 1.455 1.00 0.00 O ATOM 245 CB TYR A 18 0.500 0.185 2.172 1.00 0.00 C ATOM 246 CG TYR A 18 0.926 -1.266 2.086 1.00 0.00 C ATOM 247 CD1 TYR A 18 2.208 -1.663 2.444 1.00 0.00 C ATOM 248 CD2 TYR A 18 0.035 -2.239 1.656 1.00 0.00 C ATOM 249 CE1 TYR A 18 2.589 -2.989 2.370 1.00 0.00 C ATOM 250 CE2 TYR A 18 0.408 -3.565 1.580 1.00 0.00 C ATOM 251 CZ TYR A 18 1.685 -3.935 1.938 1.00 0.00 C ATOM 252 OH TYR A 18 2.059 -5.255 1.860 1.00 0.00 O ATOM 0 H TYR A 18 1.880 2.233 3.270 1.00 0.00 H new ATOM 0 HA TYR A 18 2.066 0.664 0.763 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.379 0.453 3.222 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.477 0.292 1.701 1.00 0.00 H new ATOM 0 HD1 TYR A 18 2.918 -0.924 2.785 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.968 -1.953 1.376 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.590 -3.283 2.649 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -0.298 -4.309 1.241 1.00 0.00 H new ATOM 0 HH TYR A 18 1.685 -5.746 2.621 1.00 0.00 H new ATOM 262 N CYS A 19 1.008 2.562 -0.421 1.00 0.00 N ATOM 263 CA CYS A 19 0.264 3.539 -1.207 1.00 0.00 C ATOM 264 C CYS A 19 -1.022 2.897 -1.714 1.00 0.00 C ATOM 265 O CYS A 19 -1.021 2.191 -2.722 1.00 0.00 O ATOM 266 CB CYS A 19 1.103 4.051 -2.386 1.00 0.00 C ATOM 267 SG CYS A 19 2.686 4.818 -1.901 1.00 0.00 S ATOM 0 H CYS A 19 1.775 2.114 -0.922 1.00 0.00 H new ATOM 0 HA CYS A 19 0.024 4.393 -0.574 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.307 3.219 -3.060 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.516 4.779 -2.946 1.00 0.00 H new ATOM 272 N CYS A 20 -2.112 3.136 -1.005 1.00 0.00 N ATOM 273 CA CYS A 20 -3.355 2.422 -1.255 1.00 0.00 C ATOM 274 C CYS A 20 -4.267 3.184 -2.203 1.00 0.00 C ATOM 275 O CYS A 20 -4.765 4.261 -1.874 1.00 0.00 O ATOM 276 CB CYS A 20 -4.085 2.159 0.063 1.00 0.00 C ATOM 277 SG CYS A 20 -3.577 0.626 0.911 1.00 0.00 S ATOM 0 H CYS A 20 -2.163 3.820 -0.250 1.00 0.00 H new ATOM 0 HA CYS A 20 -3.097 1.475 -1.729 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -3.917 3.003 0.732 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.157 2.115 -0.132 1.00 0.00 H new ATOM 282 N GLN A 21 -4.480 2.621 -3.384 1.00 0.00 N ATOM 283 CA GLN A 21 -5.455 3.158 -4.314 1.00 0.00 C ATOM 284 C GLN A 21 -6.824 2.574 -3.991 1.00 0.00 C ATOM 285 O GLN A 21 -7.093 1.403 -4.269 1.00 0.00 O ATOM 286 CB GLN A 21 -5.071 2.838 -5.764 1.00 0.00 C ATOM 287 CG GLN A 21 -3.572 2.876 -6.028 1.00 0.00 C ATOM 288 CD GLN A 21 -3.090 4.234 -6.495 1.00 0.00 C ATOM 289 OE1 GLN A 21 -2.003 4.680 -6.130 1.00 0.00 O ATOM 290 NE2 GLN A 21 -3.887 4.900 -7.316 1.00 0.00 N ATOM 0 H GLN A 21 -3.989 1.792 -3.718 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.482 4.243 -4.210 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.450 1.849 -6.020 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.565 3.550 -6.426 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.041 2.601 -5.117 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.322 2.129 -6.781 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.781 4.498 -7.597 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.607 5.815 -7.668 1.00 0.00 H new ATOM 299 N SER A 22 -7.679 3.382 -3.388 1.00 0.00 N ATOM 300 CA SER A 22 -8.984 2.919 -2.953 1.00 0.00 C ATOM 301 C SER A 22 -9.942 2.827 -4.134 1.00 0.00 C ATOM 302 O SER A 22 -10.140 3.800 -4.863 1.00 0.00 O ATOM 303 CB SER A 22 -9.537 3.872 -1.890 1.00 0.00 C ATOM 304 OG SER A 22 -8.578 4.867 -1.554 1.00 0.00 O ATOM 0 H SER A 22 -7.491 4.365 -3.188 1.00 0.00 H new ATOM 0 HA SER A 22 -8.881 1.923 -2.523 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.446 4.347 -2.259 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.811 3.309 -0.998 1.00 0.00 H new ATOM 0 HG SER A 22 -8.952 5.466 -0.875 1.00 0.00 H new ATOM 310 N MET A 23 -10.518 1.649 -4.329 1.00 0.00 N ATOM 311 CA MET A 23 -11.454 1.431 -5.422 1.00 0.00 C ATOM 312 C MET A 23 -12.822 1.980 -5.051 1.00 0.00 C ATOM 313 O MET A 23 -13.609 1.315 -4.370 1.00 0.00 O ATOM 314 CB MET A 23 -11.556 -0.057 -5.763 1.00 0.00 C ATOM 315 CG MET A 23 -10.235 -0.675 -6.198 1.00 0.00 C ATOM 316 SD MET A 23 -9.679 -0.087 -7.808 1.00 0.00 S ATOM 317 CE MET A 23 -7.933 -0.489 -7.724 1.00 0.00 C ATOM 0 H MET A 23 -10.353 0.830 -3.744 1.00 0.00 H new ATOM 0 HA MET A 23 -11.085 1.957 -6.302 1.00 0.00 H new ATOM 0 HB2 MET A 23 -11.930 -0.596 -4.892 1.00 0.00 H new ATOM 0 HB3 MET A 23 -12.289 -0.189 -6.559 1.00 0.00 H new ATOM 0 HG2 MET A 23 -9.472 -0.451 -5.452 1.00 0.00 H new ATOM 0 HG3 MET A 23 -10.341 -1.759 -6.230 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.445 -0.186 -8.650 1.00 0.00 H new ATOM 0 HE2 MET A 23 -7.478 0.038 -6.885 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.813 -1.564 -7.586 1.00 0.00 H new ATOM 327 N SER A 24 -13.078 3.206 -5.490 1.00 0.00 N ATOM 328 CA SER A 24 -14.313 3.911 -5.184 1.00 0.00 C ATOM 329 C SER A 24 -15.533 3.112 -5.628 1.00 0.00 C ATOM 330 O SER A 24 -15.751 2.889 -6.823 1.00 0.00 O ATOM 331 CB SER A 24 -14.293 5.279 -5.864 1.00 0.00 C ATOM 332 OG SER A 24 -12.981 5.597 -6.308 1.00 0.00 O ATOM 0 H SER A 24 -12.431 3.740 -6.070 1.00 0.00 H new ATOM 0 HA SER A 24 -14.384 4.040 -4.104 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.980 5.281 -6.710 1.00 0.00 H new ATOM 0 HB3 SER A 24 -14.643 6.042 -5.169 1.00 0.00 H new ATOM 0 HG SER A 24 -12.987 6.475 -6.743 1.00 0.00 H new ATOM 338 N GLY A 25 -16.315 2.670 -4.657 1.00 0.00 N ATOM 339 CA GLY A 25 -17.496 1.893 -4.951 1.00 0.00 C ATOM 340 C GLY A 25 -17.411 0.498 -4.376 1.00 0.00 C ATOM 341 O GLY A 25 -18.261 0.091 -3.583 1.00 0.00 O ATOM 0 H GLY A 25 -16.150 2.838 -3.664 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.373 2.399 -4.548 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.631 1.833 -6.031 1.00 0.00 H new ATOM 345 N SER A 26 -16.370 -0.226 -4.758 1.00 0.00 N ATOM 346 CA SER A 26 -16.199 -1.607 -4.330 1.00 0.00 C ATOM 347 C SER A 26 -15.509 -1.687 -2.969 1.00 0.00 C ATOM 348 O SER A 26 -15.578 -2.715 -2.294 1.00 0.00 O ATOM 349 CB SER A 26 -15.394 -2.367 -5.377 1.00 0.00 C ATOM 350 OG SER A 26 -14.860 -1.476 -6.350 1.00 0.00 O ATOM 0 H SER A 26 -15.628 0.121 -5.366 1.00 0.00 H new ATOM 0 HA SER A 26 -17.184 -2.061 -4.227 1.00 0.00 H new ATOM 0 HB2 SER A 26 -14.584 -2.912 -4.893 1.00 0.00 H new ATOM 0 HB3 SER A 26 -16.029 -3.106 -5.864 1.00 0.00 H new ATOM 0 HG SER A 26 -14.346 -1.984 -7.011 1.00 0.00 H new ATOM 356 N ALA A 27 -14.831 -0.603 -2.591 1.00 0.00 N ATOM 357 CA ALA A 27 -14.165 -0.492 -1.288 1.00 0.00 C ATOM 358 C ALA A 27 -12.977 -1.450 -1.168 1.00 0.00 C ATOM 359 O ALA A 27 -12.550 -1.797 -0.064 1.00 0.00 O ATOM 360 CB ALA A 27 -15.152 -0.721 -0.149 1.00 0.00 C ATOM 0 H ALA A 27 -14.727 0.225 -3.178 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.777 0.524 -1.214 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.633 -0.633 0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.946 0.024 -0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -15.584 -1.718 -0.237 1.00 0.00 H new ATOM 366 N SER A 28 -12.449 -1.877 -2.305 1.00 0.00 N ATOM 367 CA SER A 28 -11.259 -2.709 -2.326 1.00 0.00 C ATOM 368 C SER A 28 -10.014 -1.830 -2.299 1.00 0.00 C ATOM 369 O SER A 28 -9.972 -0.782 -2.948 1.00 0.00 O ATOM 370 CB SER A 28 -11.264 -3.592 -3.573 1.00 0.00 C ATOM 371 OG SER A 28 -12.579 -3.715 -4.092 1.00 0.00 O ATOM 0 H SER A 28 -12.828 -1.660 -3.227 1.00 0.00 H new ATOM 0 HA SER A 28 -11.252 -3.351 -1.445 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.607 -3.165 -4.330 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.870 -4.578 -3.328 1.00 0.00 H new ATOM 0 HG SER A 28 -12.564 -4.282 -4.891 1.00 0.00 H new ATOM 377 N LEU A 29 -9.012 -2.242 -1.545 1.00 0.00 N ATOM 378 CA LEU A 29 -7.798 -1.455 -1.422 1.00 0.00 C ATOM 379 C LEU A 29 -6.729 -1.959 -2.381 1.00 0.00 C ATOM 380 O LEU A 29 -6.032 -2.932 -2.096 1.00 0.00 O ATOM 381 CB LEU A 29 -7.285 -1.495 0.020 1.00 0.00 C ATOM 382 CG LEU A 29 -6.933 -0.134 0.627 1.00 0.00 C ATOM 383 CD1 LEU A 29 -7.937 0.929 0.203 1.00 0.00 C ATOM 384 CD2 LEU A 29 -6.868 -0.228 2.142 1.00 0.00 C ATOM 0 H LEU A 29 -9.013 -3.111 -1.011 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.029 -0.422 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.043 -1.968 0.645 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.400 -2.130 0.056 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.952 0.159 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.664 1.886 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.934 1.020 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.933 0.644 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.617 0.748 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.836 -0.548 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.105 -0.952 2.429 1.00 0.00 H new ATOM 396 N GLY A 30 -6.610 -1.293 -3.519 1.00 0.00 N ATOM 397 CA GLY A 30 -5.587 -1.639 -4.486 1.00 0.00 C ATOM 398 C GLY A 30 -4.273 -0.985 -4.127 1.00 0.00 C ATOM 399 O GLY A 30 -3.873 0.005 -4.731 1.00 0.00 O ATOM 0 H GLY A 30 -7.208 -0.513 -3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.463 -2.721 -4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.898 -1.321 -5.481 1.00 0.00 H new ATOM 403 N CYS A 31 -3.615 -1.531 -3.126 1.00 0.00 N ATOM 404 CA CYS A 31 -2.438 -0.906 -2.559 1.00 0.00 C ATOM 405 C CYS A 31 -1.170 -1.302 -3.298 1.00 0.00 C ATOM 406 O CYS A 31 -1.069 -2.396 -3.855 1.00 0.00 O ATOM 407 CB CYS A 31 -2.317 -1.284 -1.086 1.00 0.00 C ATOM 408 SG CYS A 31 -1.848 0.102 -0.009 1.00 0.00 S ATOM 0 H CYS A 31 -3.878 -2.413 -2.685 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.554 0.173 -2.660 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -3.269 -1.690 -0.745 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.577 -2.078 -0.984 1.00 0.00 H new ATOM 413 N VAL A 32 -0.214 -0.390 -3.317 1.00 0.00 N ATOM 414 CA VAL A 32 1.111 -0.667 -3.842 1.00 0.00 C ATOM 415 C VAL A 32 2.143 -0.398 -2.757 1.00 0.00 C ATOM 416 O VAL A 32 2.096 0.643 -2.100 1.00 0.00 O ATOM 417 CB VAL A 32 1.449 0.195 -5.082 1.00 0.00 C ATOM 418 CG1 VAL A 32 2.496 -0.497 -5.941 1.00 0.00 C ATOM 419 CG2 VAL A 32 0.200 0.498 -5.900 1.00 0.00 C ATOM 0 H VAL A 32 -0.334 0.561 -2.970 1.00 0.00 H new ATOM 0 HA VAL A 32 1.129 -1.712 -4.151 1.00 0.00 H new ATOM 0 HB VAL A 32 1.857 1.143 -4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.722 0.123 -6.809 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.404 -0.648 -5.357 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.114 -1.462 -6.274 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.470 1.105 -6.764 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.249 -0.436 -6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.516 1.042 -5.284 1.00 0.00 H new ATOM 429 N VAL A 33 3.050 -1.341 -2.553 1.00 0.00 N ATOM 430 CA VAL A 33 4.091 -1.188 -1.544 1.00 0.00 C ATOM 431 C VAL A 33 4.996 -0.017 -1.893 1.00 0.00 C ATOM 432 O VAL A 33 5.571 0.032 -2.982 1.00 0.00 O ATOM 433 CB VAL A 33 4.944 -2.469 -1.397 1.00 0.00 C ATOM 434 CG1 VAL A 33 5.771 -2.427 -0.119 1.00 0.00 C ATOM 435 CG2 VAL A 33 4.062 -3.709 -1.422 1.00 0.00 C ATOM 0 H VAL A 33 3.088 -2.219 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 33 3.593 -1.000 -0.593 1.00 0.00 H new ATOM 0 HB VAL A 33 5.629 -2.517 -2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.362 -3.339 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.436 -1.564 -0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.107 -2.348 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.682 -4.599 -1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.349 -3.665 -0.599 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.522 -3.752 -2.368 1.00 0.00 H new ATOM 445 N GLY A 34 5.103 0.928 -0.973 1.00 0.00 N ATOM 446 CA GLY A 34 5.912 2.099 -1.205 1.00 0.00 C ATOM 447 C GLY A 34 7.389 1.787 -1.132 1.00 0.00 C ATOM 448 O GLY A 34 7.840 1.093 -0.221 1.00 0.00 O ATOM 0 H GLY A 34 4.640 0.902 -0.065 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.677 2.514 -2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.665 2.863 -0.467 1.00 0.00 H new ATOM 452 N VAL A 35 8.135 2.295 -2.096 1.00 0.00 N ATOM 453 CA VAL A 35 9.568 2.066 -2.156 1.00 0.00 C ATOM 454 C VAL A 35 10.301 3.372 -2.438 1.00 0.00 C ATOM 455 O VAL A 35 9.882 4.437 -1.995 1.00 0.00 O ATOM 456 CB VAL A 35 9.950 1.017 -3.229 1.00 0.00 C ATOM 457 CG1 VAL A 35 10.245 -0.327 -2.579 1.00 0.00 C ATOM 458 CG2 VAL A 35 8.857 0.873 -4.280 1.00 0.00 C ATOM 0 H VAL A 35 7.770 2.873 -2.853 1.00 0.00 H new ATOM 0 HA VAL A 35 9.869 1.674 -1.184 1.00 0.00 H new ATOM 0 HB VAL A 35 10.851 1.368 -3.732 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.512 -1.052 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.074 -0.219 -1.879 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.361 -0.674 -2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 35 9.157 0.129 -5.018 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.931 0.555 -3.801 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.699 1.831 -4.775 1.00 0.00 H new ATOM 468 N ILE A 36 11.381 3.290 -3.191 1.00 0.00 N ATOM 469 CA ILE A 36 12.216 4.450 -3.447 1.00 0.00 C ATOM 470 C ILE A 36 11.607 5.357 -4.511 1.00 0.00 C ATOM 471 O ILE A 36 11.449 4.958 -5.664 1.00 0.00 O ATOM 472 CB ILE A 36 13.629 4.031 -3.903 1.00 0.00 C ATOM 473 CG1 ILE A 36 14.128 2.843 -3.077 1.00 0.00 C ATOM 474 CG2 ILE A 36 14.595 5.199 -3.796 1.00 0.00 C ATOM 475 CD1 ILE A 36 14.239 1.560 -3.870 1.00 0.00 C ATOM 0 H ILE A 36 11.702 2.431 -3.637 1.00 0.00 H new ATOM 0 HA ILE A 36 12.283 4.997 -2.507 1.00 0.00 H new ATOM 0 HB ILE A 36 13.576 3.726 -4.948 1.00 0.00 H new ATOM 0 HG12 ILE A 36 15.104 3.087 -2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 36 13.451 2.684 -2.238 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.586 4.883 -4.122 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.249 6.017 -4.428 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.644 5.537 -2.761 1.00 0.00 H new ATOM 0 HD11 ILE A 36 14.598 0.761 -3.221 1.00 0.00 H new ATOM 0 HD12 ILE A 36 13.260 1.292 -4.267 1.00 0.00 H new ATOM 0 HD13 ILE A 36 14.939 1.701 -4.694 1.00 0.00 H new ATOM 487 N GLY A 37 11.258 6.574 -4.106 1.00 0.00 N ATOM 488 CA GLY A 37 10.784 7.573 -5.045 1.00 0.00 C ATOM 489 C GLY A 37 9.397 7.280 -5.578 1.00 0.00 C ATOM 490 O GLY A 37 9.040 7.730 -6.670 1.00 0.00 O ATOM 0 H GLY A 37 11.296 6.887 -3.136 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.780 8.548 -4.557 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.481 7.637 -5.880 1.00 0.00 H new ATOM 494 N SER A 38 8.616 6.530 -4.811 1.00 0.00 N ATOM 495 CA SER A 38 7.261 6.187 -5.208 1.00 0.00 C ATOM 496 C SER A 38 6.354 7.415 -5.180 1.00 0.00 C ATOM 497 O SER A 38 6.071 7.979 -4.118 1.00 0.00 O ATOM 498 CB SER A 38 6.705 5.087 -4.300 1.00 0.00 C ATOM 499 OG SER A 38 7.560 3.956 -4.301 1.00 0.00 O ATOM 0 H SER A 38 8.901 6.148 -3.909 1.00 0.00 H new ATOM 0 HA SER A 38 7.290 5.815 -6.232 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.598 5.467 -3.284 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.710 4.797 -4.639 1.00 0.00 H new ATOM 0 HG SER A 38 7.891 3.797 -5.210 1.00 0.00 H new ATOM 505 N GLN A 39 5.917 7.832 -6.357 1.00 0.00 N ATOM 506 CA GLN A 39 5.018 8.965 -6.488 1.00 0.00 C ATOM 507 C GLN A 39 3.579 8.479 -6.603 1.00 0.00 C ATOM 508 O GLN A 39 2.894 8.755 -7.586 1.00 0.00 O ATOM 509 CB GLN A 39 5.398 9.797 -7.713 1.00 0.00 C ATOM 510 CG GLN A 39 5.482 11.288 -7.434 1.00 0.00 C ATOM 511 CD GLN A 39 6.741 11.918 -7.994 1.00 0.00 C ATOM 512 OE1 GLN A 39 7.218 11.544 -9.063 1.00 0.00 O ATOM 513 NE2 GLN A 39 7.291 12.876 -7.271 1.00 0.00 N ATOM 0 H GLN A 39 6.174 7.397 -7.243 1.00 0.00 H new ATOM 0 HA GLN A 39 5.105 9.591 -5.600 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.360 9.452 -8.092 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.665 9.624 -8.501 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.611 11.783 -7.863 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.445 11.455 -6.357 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.864 13.158 -6.389 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.143 13.334 -7.595 1.00 0.00 H new ATOM 522 N CYS A 40 3.136 7.744 -5.591 1.00 0.00 N ATOM 523 CA CYS A 40 1.789 7.191 -5.580 1.00 0.00 C ATOM 524 C CYS A 40 0.748 8.303 -5.544 1.00 0.00 C ATOM 525 O CYS A 40 0.822 9.207 -4.708 1.00 0.00 O ATOM 526 CB CYS A 40 1.601 6.259 -4.377 1.00 0.00 C ATOM 527 SG CYS A 40 2.832 6.496 -3.048 1.00 0.00 S ATOM 0 H CYS A 40 3.691 7.517 -4.766 1.00 0.00 H new ATOM 0 HA CYS A 40 1.653 6.617 -6.496 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.604 6.412 -3.965 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.648 5.226 -4.721 1.00 0.00 H new ATOM 532 N GLY A 41 -0.210 8.237 -6.458 1.00 0.00 N ATOM 533 CA GLY A 41 -1.266 9.229 -6.504 1.00 0.00 C ATOM 534 C GLY A 41 -2.458 8.824 -5.664 1.00 0.00 C ATOM 535 O GLY A 41 -3.592 8.800 -6.146 1.00 0.00 O ATOM 0 H GLY A 41 -0.275 7.511 -7.171 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.881 10.186 -6.151 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.582 9.375 -7.537 1.00 0.00 H new ATOM 539 N ALA A 42 -2.197 8.508 -4.407 1.00 0.00 N ATOM 540 CA ALA A 42 -3.228 8.053 -3.491 1.00 0.00 C ATOM 541 C ALA A 42 -2.766 8.223 -2.051 1.00 0.00 C ATOM 542 O ALA A 42 -1.699 8.781 -1.800 1.00 0.00 O ATOM 543 CB ALA A 42 -3.581 6.600 -3.770 1.00 0.00 C ATOM 0 H ALA A 42 -1.266 8.560 -3.994 1.00 0.00 H new ATOM 0 HA ALA A 42 -4.121 8.659 -3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.355 6.274 -3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.947 6.504 -4.792 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.694 5.979 -3.643 1.00 0.00 H new ATOM 549 N SER A 43 -3.563 7.740 -1.115 1.00 0.00 N ATOM 550 CA SER A 43 -3.236 7.846 0.297 1.00 0.00 C ATOM 551 C SER A 43 -2.245 6.758 0.708 1.00 0.00 C ATOM 552 O SER A 43 -2.379 5.600 0.307 1.00 0.00 O ATOM 553 CB SER A 43 -4.519 7.742 1.119 1.00 0.00 C ATOM 554 OG SER A 43 -5.658 7.747 0.269 1.00 0.00 O ATOM 0 H SER A 43 -4.446 7.268 -1.308 1.00 0.00 H new ATOM 0 HA SER A 43 -2.765 8.811 0.483 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.505 6.827 1.712 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.577 8.575 1.820 1.00 0.00 H new ATOM 0 HG SER A 43 -6.471 7.678 0.811 1.00 0.00 H new ATOM 560 N VAL A 44 -1.248 7.133 1.497 1.00 0.00 N ATOM 561 CA VAL A 44 -0.249 6.185 1.971 1.00 0.00 C ATOM 562 C VAL A 44 -0.544 5.778 3.410 1.00 0.00 C ATOM 563 O VAL A 44 -0.708 6.629 4.285 1.00 0.00 O ATOM 564 CB VAL A 44 1.177 6.770 1.889 1.00 0.00 C ATOM 565 CG1 VAL A 44 2.217 5.708 2.220 1.00 0.00 C ATOM 566 CG2 VAL A 44 1.434 7.359 0.513 1.00 0.00 C ATOM 0 H VAL A 44 -1.109 8.089 1.823 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.300 5.310 1.323 1.00 0.00 H new ATOM 0 HB VAL A 44 1.260 7.569 2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.214 6.143 2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.048 5.336 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.134 4.884 1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.444 7.766 0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.328 6.580 -0.242 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.714 8.154 0.317 1.00 0.00 H new ATOM 576 N LYS A 45 -0.634 4.482 3.640 1.00 0.00 N ATOM 577 CA LYS A 45 -0.890 3.954 4.966 1.00 0.00 C ATOM 578 C LYS A 45 0.252 3.039 5.383 1.00 0.00 C ATOM 579 O LYS A 45 1.230 2.889 4.653 1.00 0.00 O ATOM 580 CB LYS A 45 -2.215 3.189 4.985 1.00 0.00 C ATOM 581 CG LYS A 45 -3.438 4.080 4.844 1.00 0.00 C ATOM 582 CD LYS A 45 -4.493 3.443 3.953 1.00 0.00 C ATOM 583 CE LYS A 45 -5.281 2.375 4.695 1.00 0.00 C ATOM 584 NZ LYS A 45 -5.973 2.921 5.895 1.00 0.00 N ATOM 0 H LYS A 45 -0.532 3.769 2.917 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.959 4.782 5.671 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.214 2.458 4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.289 2.631 5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.862 4.276 5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.142 5.043 4.427 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.175 4.212 3.588 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.014 3.001 3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.017 1.935 4.022 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.607 1.574 4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.528 2.541 6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.899 3.958 5.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.976 2.645 5.873 1.00 0.00 H new ATOM 598 N CYS A 46 0.131 2.433 6.551 1.00 0.00 N ATOM 599 CA CYS A 46 1.143 1.510 7.035 1.00 0.00 C ATOM 600 C CYS A 46 0.517 0.155 7.326 1.00 0.00 C ATOM 601 O CYS A 46 -0.110 -0.042 8.371 1.00 0.00 O ATOM 602 CB CYS A 46 1.818 2.063 8.289 1.00 0.00 C ATOM 603 SG CYS A 46 2.068 3.869 8.271 1.00 0.00 S ATOM 0 H CYS A 46 -0.659 2.564 7.183 1.00 0.00 H new ATOM 0 HA CYS A 46 1.902 1.389 6.262 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.215 1.800 9.158 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.785 1.575 8.412 1.00 0.00 H new ATOM 608 N CYS A 47 0.678 -0.770 6.395 1.00 0.00 N ATOM 609 CA CYS A 47 0.055 -2.080 6.499 1.00 0.00 C ATOM 610 C CYS A 47 1.090 -3.184 6.301 1.00 0.00 C ATOM 611 O CYS A 47 2.242 -2.911 5.967 1.00 0.00 O ATOM 612 CB CYS A 47 -1.066 -2.214 5.461 1.00 0.00 C ATOM 613 SG CYS A 47 -1.791 -0.627 4.913 1.00 0.00 S ATOM 0 H CYS A 47 1.238 -0.637 5.553 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.372 -2.182 7.497 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.675 -2.740 4.590 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.858 -2.835 5.879 1.00 0.00 H new ATOM 618 N LYS A 48 0.679 -4.426 6.512 1.00 0.00 N ATOM 619 CA LYS A 48 1.564 -5.564 6.332 1.00 0.00 C ATOM 620 C LYS A 48 0.914 -6.522 5.353 1.00 0.00 C ATOM 621 O LYS A 48 1.323 -6.632 4.194 1.00 0.00 O ATOM 622 CB LYS A 48 1.819 -6.252 7.678 1.00 0.00 C ATOM 623 CG LYS A 48 2.637 -7.530 7.577 1.00 0.00 C ATOM 624 CD LYS A 48 1.911 -8.706 8.211 1.00 0.00 C ATOM 625 CE LYS A 48 2.580 -10.027 7.859 1.00 0.00 C ATOM 626 NZ LYS A 48 1.655 -11.181 8.009 1.00 0.00 N ATOM 0 H LYS A 48 -0.266 -4.670 6.809 1.00 0.00 H new ATOM 0 HA LYS A 48 2.526 -5.236 5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.334 -5.555 8.338 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.861 -6.483 8.143 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.843 -7.750 6.529 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.600 -7.387 8.068 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.892 -8.583 9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.875 -8.720 7.874 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.944 -9.986 6.832 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.449 -10.174 8.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.152 -12.059 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.327 -11.237 8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.837 -11.055 7.379 1.00 0.00 H new ATOM 640 N ASP A 49 -0.118 -7.194 5.844 1.00 0.00 N ATOM 641 CA ASP A 49 -1.002 -8.003 5.022 1.00 0.00 C ATOM 642 C ASP A 49 -0.242 -9.087 4.261 1.00 0.00 C ATOM 643 O ASP A 49 0.625 -9.761 4.821 1.00 0.00 O ATOM 644 CB ASP A 49 -1.791 -7.102 4.063 1.00 0.00 C ATOM 645 CG ASP A 49 -2.658 -6.092 4.799 1.00 0.00 C ATOM 646 OD1 ASP A 49 -2.131 -5.046 5.223 1.00 0.00 O ATOM 647 OD2 ASP A 49 -3.868 -6.353 4.982 1.00 0.00 O ATOM 0 H ASP A 49 -0.366 -7.192 6.833 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.702 -8.516 5.682 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.096 -6.573 3.411 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.421 -7.720 3.423 1.00 0.00 H new ATOM 652 N ASP A 50 -0.546 -9.224 2.979 1.00 0.00 N ATOM 653 CA ASP A 50 -0.034 -10.327 2.174 1.00 0.00 C ATOM 654 C ASP A 50 1.296 -9.974 1.509 1.00 0.00 C ATOM 655 O ASP A 50 1.602 -10.462 0.420 1.00 0.00 O ATOM 656 CB ASP A 50 -1.066 -10.706 1.111 1.00 0.00 C ATOM 657 CG ASP A 50 -1.445 -12.169 1.172 1.00 0.00 C ATOM 658 OD1 ASP A 50 -1.769 -12.662 2.274 1.00 0.00 O ATOM 659 OD2 ASP A 50 -1.411 -12.839 0.120 1.00 0.00 O ATOM 0 H ASP A 50 -1.150 -8.580 2.469 1.00 0.00 H new ATOM 0 HA ASP A 50 0.144 -11.174 2.836 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.960 -10.096 1.242 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.667 -10.478 0.123 1.00 0.00 H new ATOM 664 N VAL A 51 2.092 -9.144 2.180 1.00 0.00 N ATOM 665 CA VAL A 51 3.376 -8.700 1.639 1.00 0.00 C ATOM 666 C VAL A 51 4.342 -9.876 1.461 1.00 0.00 C ATOM 667 O VAL A 51 5.104 -9.928 0.497 1.00 0.00 O ATOM 668 CB VAL A 51 4.025 -7.613 2.536 1.00 0.00 C ATOM 669 CG1 VAL A 51 4.292 -8.135 3.941 1.00 0.00 C ATOM 670 CG2 VAL A 51 5.303 -7.077 1.904 1.00 0.00 C ATOM 0 H VAL A 51 1.870 -8.765 3.101 1.00 0.00 H new ATOM 0 HA VAL A 51 3.175 -8.264 0.660 1.00 0.00 H new ATOM 0 HB VAL A 51 3.315 -6.790 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.747 -7.347 4.542 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.352 -8.444 4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.968 -8.988 3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.738 -6.317 2.552 1.00 0.00 H new ATOM 0 HG22 VAL A 51 6.014 -7.893 1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.072 -6.638 0.934 1.00 0.00 H new ATOM 680 N THR A 52 4.292 -10.828 2.382 1.00 0.00 N ATOM 681 CA THR A 52 5.158 -11.993 2.323 1.00 0.00 C ATOM 682 C THR A 52 4.398 -13.213 1.811 1.00 0.00 C ATOM 683 O THR A 52 4.779 -14.354 2.075 1.00 0.00 O ATOM 684 CB THR A 52 5.742 -12.309 3.712 1.00 0.00 C ATOM 685 OG1 THR A 52 5.017 -11.586 4.720 1.00 0.00 O ATOM 686 CG2 THR A 52 7.217 -11.941 3.782 1.00 0.00 C ATOM 0 H THR A 52 3.658 -10.814 3.181 1.00 0.00 H new ATOM 0 HA THR A 52 5.970 -11.763 1.633 1.00 0.00 H new ATOM 0 HB THR A 52 5.646 -13.381 3.886 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.391 -11.791 5.602 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.604 -12.175 4.774 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.770 -12.509 3.034 1.00 0.00 H new ATOM 0 HG23 THR A 52 7.336 -10.875 3.588 1.00 0.00 H new ATOM 694 N ASN A 53 3.322 -12.969 1.073 1.00 0.00 N ATOM 695 CA ASN A 53 2.464 -14.050 0.615 1.00 0.00 C ATOM 696 C ASN A 53 2.154 -13.921 -0.876 1.00 0.00 C ATOM 697 O ASN A 53 2.972 -14.294 -1.717 1.00 0.00 O ATOM 698 CB ASN A 53 1.176 -14.065 1.439 1.00 0.00 C ATOM 699 CG ASN A 53 0.508 -15.425 1.476 1.00 0.00 C ATOM 700 OD1 ASN A 53 1.147 -16.455 1.265 1.00 0.00 O ATOM 701 ND2 ASN A 53 -0.790 -15.436 1.742 1.00 0.00 N ATOM 0 H ASN A 53 3.026 -12.038 0.781 1.00 0.00 H new ATOM 0 HA ASN A 53 2.990 -14.995 0.756 1.00 0.00 H new ATOM 0 HB2 ASN A 53 1.400 -13.749 2.458 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.479 -13.336 1.026 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -1.296 -16.321 1.778 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.283 -14.559 1.911 1.00 0.00 H new ATOM 708 N THR A 54 0.989 -13.379 -1.206 1.00 0.00 N ATOM 709 CA THR A 54 0.559 -13.279 -2.595 1.00 0.00 C ATOM 710 C THR A 54 0.540 -11.828 -3.069 1.00 0.00 C ATOM 711 O THR A 54 -0.410 -11.385 -3.718 1.00 0.00 O ATOM 712 CB THR A 54 -0.841 -13.894 -2.778 1.00 0.00 C ATOM 713 OG1 THR A 54 -1.138 -14.752 -1.666 1.00 0.00 O ATOM 714 CG2 THR A 54 -0.926 -14.683 -4.077 1.00 0.00 C ATOM 0 H THR A 54 0.324 -13.002 -0.531 1.00 0.00 H new ATOM 0 HA THR A 54 1.279 -13.834 -3.197 1.00 0.00 H new ATOM 0 HB THR A 54 -1.570 -13.085 -2.823 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.495 -14.217 -0.926 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.925 -15.106 -4.181 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.723 -14.021 -4.919 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.191 -15.488 -4.063 1.00 0.00 H new ATOM 722 N GLY A 55 1.591 -11.090 -2.746 1.00 0.00 N ATOM 723 CA GLY A 55 1.674 -9.708 -3.159 1.00 0.00 C ATOM 724 C GLY A 55 3.105 -9.251 -3.356 1.00 0.00 C ATOM 725 O GLY A 55 3.998 -9.649 -2.606 1.00 0.00 O ATOM 0 H GLY A 55 2.388 -11.425 -2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.121 -9.575 -4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.194 -9.078 -2.410 1.00 0.00 H new ATOM 729 N ASN A 56 3.327 -8.437 -4.379 1.00 0.00 N ATOM 730 CA ASN A 56 4.643 -7.860 -4.634 1.00 0.00 C ATOM 731 C ASN A 56 4.514 -6.593 -5.467 1.00 0.00 C ATOM 732 O ASN A 56 5.051 -5.544 -5.109 1.00 0.00 O ATOM 733 CB ASN A 56 5.551 -8.865 -5.351 1.00 0.00 C ATOM 734 CG ASN A 56 7.025 -8.616 -5.073 1.00 0.00 C ATOM 735 OD1 ASN A 56 7.393 -7.636 -4.426 1.00 0.00 O ATOM 736 ND2 ASN A 56 7.877 -9.501 -5.559 1.00 0.00 N ATOM 0 H ASN A 56 2.610 -8.159 -5.049 1.00 0.00 H new ATOM 0 HA ASN A 56 5.093 -7.610 -3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 56 5.290 -9.875 -5.036 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.372 -8.810 -6.425 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.878 -9.384 -5.403 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.534 -10.301 -6.091 1.00 0.00 H new ATOM 743 N SER A 57 3.789 -6.691 -6.571 1.00 0.00 N ATOM 744 CA SER A 57 3.563 -5.549 -7.441 1.00 0.00 C ATOM 745 C SER A 57 2.267 -4.852 -7.064 1.00 0.00 C ATOM 746 O SER A 57 2.172 -3.624 -7.094 1.00 0.00 O ATOM 747 CB SER A 57 3.491 -6.007 -8.894 1.00 0.00 C ATOM 748 OG SER A 57 3.613 -7.420 -8.982 1.00 0.00 O ATOM 0 H SER A 57 3.346 -7.554 -6.886 1.00 0.00 H new ATOM 0 HA SER A 57 4.392 -4.851 -7.323 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.545 -5.691 -9.334 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.285 -5.532 -9.470 1.00 0.00 H new ATOM 0 HG SER A 57 3.563 -7.695 -9.921 1.00 0.00 H new ATOM 754 N PHE A 58 1.270 -5.646 -6.707 1.00 0.00 N ATOM 755 CA PHE A 58 -0.039 -5.118 -6.370 1.00 0.00 C ATOM 756 C PHE A 58 -0.605 -5.828 -5.157 1.00 0.00 C ATOM 757 O PHE A 58 -0.697 -7.055 -5.130 1.00 0.00 O ATOM 758 CB PHE A 58 -0.995 -5.272 -7.548 1.00 0.00 C ATOM 759 CG PHE A 58 -1.856 -4.065 -7.777 1.00 0.00 C ATOM 760 CD1 PHE A 58 -1.360 -2.792 -7.551 1.00 0.00 C ATOM 761 CD2 PHE A 58 -3.156 -4.202 -8.227 1.00 0.00 C ATOM 762 CE1 PHE A 58 -2.143 -1.679 -7.770 1.00 0.00 C ATOM 763 CE2 PHE A 58 -3.947 -3.092 -8.447 1.00 0.00 C ATOM 764 CZ PHE A 58 -3.440 -1.829 -8.220 1.00 0.00 C ATOM 0 H PHE A 58 1.345 -6.661 -6.644 1.00 0.00 H new ATOM 0 HA PHE A 58 0.073 -4.059 -6.138 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.418 -5.475 -8.451 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.634 -6.138 -7.377 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.346 -2.670 -7.199 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -3.557 -5.188 -8.408 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.743 -0.692 -7.590 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.962 -3.212 -8.796 1.00 0.00 H new ATOM 0 HZ PHE A 58 -4.056 -0.959 -8.394 1.00 0.00 H new ATOM 774 N LEU A 59 -0.986 -5.051 -4.161 1.00 0.00 N ATOM 775 CA LEU A 59 -1.518 -5.591 -2.924 1.00 0.00 C ATOM 776 C LEU A 59 -2.981 -5.207 -2.770 1.00 0.00 C ATOM 777 O LEU A 59 -3.302 -4.158 -2.212 1.00 0.00 O ATOM 778 CB LEU A 59 -0.714 -5.070 -1.725 1.00 0.00 C ATOM 779 CG LEU A 59 0.367 -6.013 -1.191 1.00 0.00 C ATOM 780 CD1 LEU A 59 -0.238 -7.345 -0.778 1.00 0.00 C ATOM 781 CD2 LEU A 59 1.459 -6.220 -2.226 1.00 0.00 C ATOM 0 H LEU A 59 -0.936 -4.033 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.437 -6.677 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -0.242 -4.129 -2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.408 -4.847 -0.915 1.00 0.00 H new ATOM 0 HG LEU A 59 0.814 -5.553 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.547 -8.000 -0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.980 -7.181 0.004 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.716 -7.810 -1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.217 -6.893 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.028 -6.654 -3.128 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.917 -5.261 -2.468 1.00 0.00 H new ATOM 793 N ILE A 60 -3.866 -6.046 -3.282 1.00 0.00 N ATOM 794 CA ILE A 60 -5.295 -5.825 -3.129 1.00 0.00 C ATOM 795 C ILE A 60 -5.718 -6.282 -1.738 1.00 0.00 C ATOM 796 O ILE A 60 -6.218 -7.392 -1.547 1.00 0.00 O ATOM 797 CB ILE A 60 -6.110 -6.566 -4.214 1.00 0.00 C ATOM 798 CG1 ILE A 60 -5.561 -6.231 -5.604 1.00 0.00 C ATOM 799 CG2 ILE A 60 -7.588 -6.195 -4.127 1.00 0.00 C ATOM 800 CD1 ILE A 60 -4.850 -7.385 -6.276 1.00 0.00 C ATOM 0 H ILE A 60 -3.621 -6.886 -3.807 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.499 -4.761 -3.250 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.016 -7.639 -4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.384 -5.904 -6.240 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.871 -5.392 -5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.143 -6.728 -4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.975 -6.471 -3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.703 -5.121 -4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.490 -7.070 -7.255 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.005 -7.699 -5.663 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.542 -8.219 -6.395 1.00 0.00 H new ATOM 812 N ILE A 61 -5.485 -5.414 -0.769 1.00 0.00 N ATOM 813 CA ILE A 61 -5.640 -5.753 0.633 1.00 0.00 C ATOM 814 C ILE A 61 -7.004 -5.340 1.164 1.00 0.00 C ATOM 815 O ILE A 61 -7.778 -4.668 0.479 1.00 0.00 O ATOM 816 CB ILE A 61 -4.545 -5.078 1.484 1.00 0.00 C ATOM 817 CG1 ILE A 61 -4.389 -3.606 1.091 1.00 0.00 C ATOM 818 CG2 ILE A 61 -3.226 -5.812 1.315 1.00 0.00 C ATOM 819 CD1 ILE A 61 -3.746 -2.747 2.160 1.00 0.00 C ATOM 0 H ILE A 61 -5.183 -4.454 -0.933 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.548 -6.836 0.708 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.842 -5.124 2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.791 -3.545 0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.372 -3.198 0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.460 -5.327 1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.342 -6.847 1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.929 -5.789 0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.671 -1.719 1.805 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.354 -2.775 3.064 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.749 -3.128 2.382 1.00 0.00 H new ATOM 831 N ASN A 62 -7.284 -5.750 2.392 1.00 0.00 N ATOM 832 CA ASN A 62 -8.525 -5.394 3.061 1.00 0.00 C ATOM 833 C ASN A 62 -8.243 -4.380 4.155 1.00 0.00 C ATOM 834 O ASN A 62 -9.141 -3.976 4.894 1.00 0.00 O ATOM 835 CB ASN A 62 -9.176 -6.638 3.669 1.00 0.00 C ATOM 836 CG ASN A 62 -10.689 -6.579 3.628 1.00 0.00 C ATOM 837 OD1 ASN A 62 -11.333 -6.063 4.543 1.00 0.00 O ATOM 838 ND2 ASN A 62 -11.269 -7.122 2.571 1.00 0.00 N ATOM 0 H ASN A 62 -6.662 -6.335 2.949 1.00 0.00 H new ATOM 0 HA ASN A 62 -9.207 -4.961 2.330 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -8.835 -7.522 3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -8.848 -6.748 4.703 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -12.286 -7.124 2.492 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -10.699 -7.539 1.835 1.00 0.00 H new ATOM 845 N ALA A 63 -6.976 -3.976 4.244 1.00 0.00 N ATOM 846 CA ALA A 63 -6.499 -3.092 5.305 1.00 0.00 C ATOM 847 C ALA A 63 -6.683 -3.736 6.675 1.00 0.00 C ATOM 848 O ALA A 63 -6.697 -3.053 7.697 1.00 0.00 O ATOM 849 CB ALA A 63 -7.200 -1.741 5.251 1.00 0.00 C ATOM 0 H ALA A 63 -6.252 -4.253 3.582 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.434 -2.927 5.144 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.825 -1.104 6.052 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.004 -1.267 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.274 -1.883 5.373 1.00 0.00 H new ATOM 855 N ALA A 64 -6.789 -5.059 6.692 1.00 0.00 N ATOM 856 CA ALA A 64 -7.035 -5.790 7.928 1.00 0.00 C ATOM 857 C ALA A 64 -5.751 -5.919 8.729 1.00 0.00 C ATOM 858 O ALA A 64 -5.775 -6.084 9.949 1.00 0.00 O ATOM 859 CB ALA A 64 -7.615 -7.165 7.626 1.00 0.00 C ATOM 0 H ALA A 64 -6.708 -5.648 5.863 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.760 -5.234 8.522 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.793 -7.698 8.560 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.556 -7.053 7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.912 -7.730 7.014 1.00 0.00 H new ATOM 865 N ASN A 65 -4.630 -5.829 8.033 1.00 0.00 N ATOM 866 CA ASN A 65 -3.322 -5.878 8.670 1.00 0.00 C ATOM 867 C ASN A 65 -2.671 -4.507 8.607 1.00 0.00 C ATOM 868 O ASN A 65 -1.463 -4.363 8.782 1.00 0.00 O ATOM 869 CB ASN A 65 -2.429 -6.913 7.988 1.00 0.00 C ATOM 870 CG ASN A 65 -3.103 -8.260 7.816 1.00 0.00 C ATOM 871 OD1 ASN A 65 -3.007 -9.134 8.675 1.00 0.00 O ATOM 872 ND2 ASN A 65 -3.781 -8.436 6.695 1.00 0.00 N ATOM 0 H ASN A 65 -4.599 -5.721 7.019 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.451 -6.169 9.712 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -2.128 -6.537 7.010 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -1.519 -7.041 8.574 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.250 -9.324 6.517 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.835 -7.684 6.008 1.00 0.00 H new ATOM 879 N CYS A 66 -3.484 -3.504 8.328 1.00 0.00 N ATOM 880 CA CYS A 66 -3.016 -2.130 8.280 1.00 0.00 C ATOM 881 C CYS A 66 -3.255 -1.448 9.620 1.00 0.00 C ATOM 882 O CYS A 66 -4.318 -1.597 10.223 1.00 0.00 O ATOM 883 CB CYS A 66 -3.722 -1.366 7.160 1.00 0.00 C ATOM 884 SG CYS A 66 -2.787 0.070 6.541 1.00 0.00 S ATOM 0 H CYS A 66 -4.478 -3.616 8.130 1.00 0.00 H new ATOM 0 HA CYS A 66 -1.946 -2.132 8.075 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -3.911 -2.048 6.331 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.693 -1.027 7.521 1.00 0.00 H new ATOM 889 N VAL A 67 -2.261 -0.704 10.089 1.00 0.00 N ATOM 890 CA VAL A 67 -2.337 -0.060 11.396 1.00 0.00 C ATOM 891 C VAL A 67 -2.804 1.392 11.272 1.00 0.00 C ATOM 892 O VAL A 67 -3.137 2.041 12.268 1.00 0.00 O ATOM 893 CB VAL A 67 -0.970 -0.124 12.121 1.00 0.00 C ATOM 894 CG1 VAL A 67 -0.047 0.996 11.658 1.00 0.00 C ATOM 895 CG2 VAL A 67 -1.159 -0.079 13.629 1.00 0.00 C ATOM 0 H VAL A 67 -1.392 -0.531 9.584 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.072 -0.604 11.990 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.498 -1.072 11.863 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.905 0.924 12.185 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.124 0.906 10.585 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.509 1.960 11.872 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.186 -0.125 14.119 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.661 0.848 13.905 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.765 -0.928 13.945 1.00 0.00 H new ATOM 905 N ALA A 68 -2.856 1.886 10.045 1.00 0.00 N ATOM 906 CA ALA A 68 -3.243 3.266 9.792 1.00 0.00 C ATOM 907 C ALA A 68 -4.329 3.317 8.729 1.00 0.00 C ATOM 908 O ALA A 68 -4.977 4.371 8.576 1.00 0.00 O ATOM 909 CB ALA A 68 -2.034 4.085 9.365 1.00 0.00 C ATOM 910 OXT ALA A 68 -4.531 2.292 8.048 1.00 0.00 O ATOM 0 H ALA A 68 -2.634 1.350 9.206 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.638 3.696 10.712 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.339 5.115 9.179 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.284 4.066 10.156 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.611 3.662 8.454 1.00 0.00 H new