USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 581 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 5 GLN : amide:sc= 1.04 K(o=1.7,f=-4.1!) USER MOD Set 1.2: A 7 TYR OH : rot 94:sc= 0.659 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 141:sc= 1.11 (180deg=-0.153) USER MOD Single : A 2 MET CE :methyl 153:sc= 0 (180deg=-0.227) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.223 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot -29:sc= -0.619 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -1 K(o=-1,f=-3.1!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -152:sc= 0.347 (180deg=0.112) USER MOD Single : A 40 MET CE :methyl 154:sc= -0.383 (180deg=-1.44!) USER MOD Single : A 42 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.7!) USER MOD Single : A 49 THR OG1 : rot 53:sc= 1.12 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -113:sc= -0.677 (180deg=-2.22!) USER MOD Single : A 68 SER OG : rot 180:sc= 0.124 USER MOD Single : A 69 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0543) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.295 -10.519 -8.116 1.00 0.00 N ATOM 2 CA MET A 1 4.812 -9.132 -8.245 1.00 0.00 C ATOM 3 C MET A 1 3.694 -8.107 -8.084 1.00 0.00 C ATOM 4 O MET A 1 3.286 -7.468 -9.054 1.00 0.00 O ATOM 5 CB MET A 1 5.469 -8.985 -9.619 1.00 0.00 C ATOM 6 CG MET A 1 4.580 -9.432 -10.768 1.00 0.00 C ATOM 7 SD MET A 1 4.931 -11.118 -11.303 1.00 0.00 S ATOM 8 CE MET A 1 5.707 -10.815 -12.888 1.00 0.00 C ATOM 0 H1 MET A 1 4.773 -11.133 -8.806 1.00 0.00 H new ATOM 0 H2 MET A 1 4.479 -10.870 -7.154 1.00 0.00 H new ATOM 0 H3 MET A 1 3.271 -10.526 -8.297 1.00 0.00 H new ATOM 0 HA MET A 1 5.541 -8.947 -7.456 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.747 -7.942 -9.770 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.391 -9.566 -9.636 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.536 -9.362 -10.463 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.712 -8.753 -11.610 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.983 -11.765 -13.346 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.010 -10.287 -13.539 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.601 -10.208 -12.745 1.00 0.00 H new ATOM 20 N MET A 2 3.201 -7.948 -6.858 1.00 0.00 N ATOM 21 CA MET A 2 2.131 -6.990 -6.601 1.00 0.00 C ATOM 22 C MET A 2 2.691 -5.579 -6.424 1.00 0.00 C ATOM 23 O MET A 2 3.409 -5.300 -5.466 1.00 0.00 O ATOM 24 CB MET A 2 1.334 -7.405 -5.361 1.00 0.00 C ATOM 25 CG MET A 2 -0.165 -7.195 -5.504 1.00 0.00 C ATOM 26 SD MET A 2 -1.079 -7.712 -4.038 1.00 0.00 S ATOM 27 CE MET A 2 -2.678 -6.969 -4.356 1.00 0.00 C ATOM 0 H MET A 2 3.521 -8.463 -6.038 1.00 0.00 H new ATOM 0 HA MET A 2 1.464 -6.985 -7.463 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.527 -8.457 -5.150 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.692 -6.837 -4.502 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.364 -6.141 -5.699 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.526 -7.753 -6.368 1.00 0.00 H new ATOM 0 HE1 MET A 2 -3.454 -7.546 -3.853 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.685 -5.946 -3.980 1.00 0.00 H new ATOM 0 HE3 MET A 2 -2.869 -6.962 -5.429 1.00 0.00 H new ATOM 37 N LYS A 3 2.358 -4.689 -7.354 1.00 0.00 N ATOM 38 CA LYS A 3 2.828 -3.307 -7.293 1.00 0.00 C ATOM 39 C LYS A 3 2.078 -2.534 -6.218 1.00 0.00 C ATOM 40 O LYS A 3 0.857 -2.391 -6.277 1.00 0.00 O ATOM 41 CB LYS A 3 2.649 -2.624 -8.652 1.00 0.00 C ATOM 42 CG LYS A 3 3.898 -2.658 -9.518 1.00 0.00 C ATOM 43 CD LYS A 3 4.017 -3.972 -10.271 1.00 0.00 C ATOM 44 CE LYS A 3 3.582 -3.825 -11.721 1.00 0.00 C ATOM 45 NZ LYS A 3 4.662 -3.253 -12.572 1.00 0.00 N ATOM 0 H LYS A 3 1.766 -4.898 -8.158 1.00 0.00 H new ATOM 0 HA LYS A 3 3.888 -3.316 -7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.832 -3.107 -9.188 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.356 -1.586 -8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 3 3.872 -1.831 -10.228 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.779 -2.514 -8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.049 -4.322 -10.233 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.405 -4.730 -9.782 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.290 -4.799 -12.112 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.702 -3.184 -11.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.324 -3.170 -13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.924 -2.312 -12.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.493 -3.877 -12.544 1.00 0.00 H new ATOM 59 N ILE A 4 2.817 -2.043 -5.232 1.00 0.00 N ATOM 60 CA ILE A 4 2.224 -1.290 -4.137 1.00 0.00 C ATOM 61 C ILE A 4 2.893 0.069 -3.981 1.00 0.00 C ATOM 62 O ILE A 4 4.091 0.163 -3.712 1.00 0.00 O ATOM 63 CB ILE A 4 2.311 -2.083 -2.819 1.00 0.00 C ATOM 64 CG1 ILE A 4 1.400 -3.304 -2.895 1.00 0.00 C ATOM 65 CG2 ILE A 4 1.947 -1.214 -1.624 1.00 0.00 C ATOM 66 CD1 ILE A 4 2.153 -4.596 -3.071 1.00 0.00 C ATOM 0 H ILE A 4 3.829 -2.153 -5.169 1.00 0.00 H new ATOM 0 HA ILE A 4 1.173 -1.127 -4.376 1.00 0.00 H new ATOM 0 HB ILE A 4 3.341 -2.412 -2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.802 -3.360 -1.985 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.705 -3.180 -3.726 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.018 -1.804 -0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.634 -0.370 -1.566 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.928 -0.845 -1.739 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.447 -5.425 -3.118 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.730 -4.558 -3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.828 -4.741 -2.228 1.00 0.00 H new ATOM 78 N GLN A 5 2.102 1.117 -4.159 1.00 0.00 N ATOM 79 CA GLN A 5 2.595 2.485 -4.049 1.00 0.00 C ATOM 80 C GLN A 5 2.016 3.172 -2.816 1.00 0.00 C ATOM 81 O GLN A 5 0.798 3.268 -2.670 1.00 0.00 O ATOM 82 CB GLN A 5 2.247 3.291 -5.311 1.00 0.00 C ATOM 83 CG GLN A 5 0.993 2.816 -6.037 1.00 0.00 C ATOM 84 CD GLN A 5 1.010 3.153 -7.514 1.00 0.00 C ATOM 85 OE1 GLN A 5 1.489 4.213 -7.918 1.00 0.00 O ATOM 86 NE2 GLN A 5 0.484 2.245 -8.331 1.00 0.00 N ATOM 0 H GLN A 5 1.109 1.046 -4.382 1.00 0.00 H new ATOM 0 HA GLN A 5 3.679 2.443 -3.948 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.117 4.337 -5.035 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.090 3.245 -6.000 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.894 1.737 -5.916 1.00 0.00 H new ATOM 0 HG3 GLN A 5 0.116 3.270 -5.575 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.098 1.380 -7.952 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.466 2.413 -9.337 1.00 0.00 H new ATOM 95 N ILE A 6 2.893 3.651 -1.932 1.00 0.00 N ATOM 96 CA ILE A 6 2.447 4.328 -0.719 1.00 0.00 C ATOM 97 C ILE A 6 2.636 5.837 -0.832 1.00 0.00 C ATOM 98 O ILE A 6 3.762 6.332 -0.851 1.00 0.00 O ATOM 99 CB ILE A 6 3.192 3.814 0.530 1.00 0.00 C ATOM 100 CG1 ILE A 6 4.705 3.814 0.297 1.00 0.00 C ATOM 101 CG2 ILE A 6 2.709 2.419 0.895 1.00 0.00 C ATOM 102 CD1 ILE A 6 5.500 3.317 1.485 1.00 0.00 C ATOM 0 H ILE A 6 3.906 3.583 -2.034 1.00 0.00 H new ATOM 0 HA ILE A 6 1.386 4.104 -0.608 1.00 0.00 H new ATOM 0 HB ILE A 6 2.976 4.486 1.361 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.931 3.190 -0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.027 4.826 0.053 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.243 2.069 1.778 1.00 0.00 H new ATOM 0 HG22 ILE A 6 1.640 2.448 1.105 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.897 1.740 0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 6 6.564 3.345 1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.303 3.955 2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.206 2.293 1.717 1.00 0.00 H new ATOM 114 N TYR A 7 1.526 6.566 -0.918 1.00 0.00 N ATOM 115 CA TYR A 7 1.579 8.014 -1.041 1.00 0.00 C ATOM 116 C TYR A 7 1.551 8.690 0.324 1.00 0.00 C ATOM 117 O TYR A 7 0.629 8.486 1.115 1.00 0.00 O ATOM 118 CB TYR A 7 0.420 8.504 -1.909 1.00 0.00 C ATOM 119 CG TYR A 7 0.425 7.923 -3.315 1.00 0.00 C ATOM 120 CD1 TYR A 7 1.227 8.449 -4.330 1.00 0.00 C ATOM 121 CD2 TYR A 7 -0.384 6.838 -3.625 1.00 0.00 C ATOM 122 CE1 TYR A 7 1.208 7.904 -5.602 1.00 0.00 C ATOM 123 CE2 TYR A 7 -0.402 6.289 -4.890 1.00 0.00 C ATOM 124 CZ TYR A 7 0.396 6.825 -5.876 1.00 0.00 C ATOM 125 OH TYR A 7 0.379 6.284 -7.141 1.00 0.00 O ATOM 0 H TYR A 7 0.584 6.176 -0.905 1.00 0.00 H new ATOM 0 HA TYR A 7 2.521 8.282 -1.519 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.521 8.248 -1.422 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.460 9.591 -1.974 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.870 9.291 -4.120 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.014 6.414 -2.857 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.829 8.324 -6.379 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.038 5.444 -5.106 1.00 0.00 H new ATOM 0 HH TYR A 7 1.020 5.544 -7.189 1.00 0.00 H new ATOM 135 N GLY A 8 2.576 9.495 0.590 1.00 0.00 N ATOM 136 CA GLY A 8 2.671 10.196 1.856 1.00 0.00 C ATOM 137 C GLY A 8 4.010 9.975 2.534 1.00 0.00 C ATOM 138 O GLY A 8 4.800 10.909 2.683 1.00 0.00 O ATOM 0 H GLY A 8 3.346 9.674 -0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.521 11.263 1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.871 9.860 2.516 1.00 0.00 H new ATOM 142 N THR A 9 4.267 8.736 2.938 1.00 0.00 N ATOM 143 CA THR A 9 5.520 8.381 3.597 1.00 0.00 C ATOM 144 C THR A 9 5.650 9.056 4.961 1.00 0.00 C ATOM 145 O THR A 9 5.531 8.405 5.999 1.00 0.00 O ATOM 146 CB THR A 9 6.739 8.755 2.729 1.00 0.00 C ATOM 147 OG1 THR A 9 6.617 8.159 1.433 1.00 0.00 O ATOM 148 CG2 THR A 9 8.035 8.297 3.382 1.00 0.00 C ATOM 0 H THR A 9 3.620 7.956 2.820 1.00 0.00 H new ATOM 0 HA THR A 9 5.500 7.300 3.738 1.00 0.00 H new ATOM 0 HB THR A 9 6.766 9.840 2.631 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.393 8.402 0.887 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.879 8.573 2.749 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.140 8.775 4.356 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.016 7.215 3.509 1.00 0.00 H new ATOM 156 N GLY A 10 5.903 10.361 4.952 1.00 0.00 N ATOM 157 CA GLY A 10 6.053 11.097 6.195 1.00 0.00 C ATOM 158 C GLY A 10 4.792 11.094 7.037 1.00 0.00 C ATOM 159 O GLY A 10 4.542 10.153 7.791 1.00 0.00 O ATOM 0 H GLY A 10 6.007 10.922 4.107 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.870 10.664 6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.332 12.127 5.971 1.00 0.00 H new ATOM 163 N CYS A 11 4.001 12.155 6.913 1.00 0.00 N ATOM 164 CA CYS A 11 2.759 12.283 7.671 1.00 0.00 C ATOM 165 C CYS A 11 1.868 11.054 7.498 1.00 0.00 C ATOM 166 O CYS A 11 1.021 10.769 8.344 1.00 0.00 O ATOM 167 CB CYS A 11 2.004 13.541 7.237 1.00 0.00 C ATOM 168 SG CYS A 11 1.115 14.368 8.578 1.00 0.00 S ATOM 0 H CYS A 11 4.198 12.941 6.293 1.00 0.00 H new ATOM 0 HA CYS A 11 3.020 12.363 8.726 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.712 14.243 6.798 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.293 13.274 6.455 1.00 0.00 H new ATOM 0 HG CYS A 11 0.510 15.421 8.113 1.00 0.00 H new ATOM 174 N ALA A 12 2.060 10.332 6.398 1.00 0.00 N ATOM 175 CA ALA A 12 1.268 9.138 6.123 1.00 0.00 C ATOM 176 C ALA A 12 1.827 7.920 6.853 1.00 0.00 C ATOM 177 O ALA A 12 2.983 7.544 6.662 1.00 0.00 O ATOM 178 CB ALA A 12 1.210 8.876 4.625 1.00 0.00 C ATOM 0 H ALA A 12 2.755 10.552 5.685 1.00 0.00 H new ATOM 0 HA ALA A 12 0.257 9.314 6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.616 7.982 4.435 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.753 9.729 4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.220 8.729 4.242 1.00 0.00 H new ATOM 184 N ASN A 13 0.992 7.304 7.685 1.00 0.00 N ATOM 185 CA ASN A 13 1.385 6.119 8.448 1.00 0.00 C ATOM 186 C ASN A 13 1.401 4.858 7.576 1.00 0.00 C ATOM 187 O ASN A 13 1.313 3.744 8.091 1.00 0.00 O ATOM 188 CB ASN A 13 0.436 5.915 9.631 1.00 0.00 C ATOM 189 CG ASN A 13 0.320 7.153 10.498 1.00 0.00 C ATOM 190 OD1 ASN A 13 1.212 7.457 11.290 1.00 0.00 O ATOM 191 ND2 ASN A 13 -0.786 7.875 10.353 1.00 0.00 N ATOM 0 H ASN A 13 0.032 7.607 7.850 1.00 0.00 H new ATOM 0 HA ASN A 13 2.398 6.287 8.814 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.551 5.642 9.259 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.790 5.081 10.238 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -0.921 8.718 10.910 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.500 7.586 9.684 1.00 0.00 H new ATOM 198 N CYS A 14 1.506 5.036 6.261 1.00 0.00 N ATOM 199 CA CYS A 14 1.523 3.903 5.331 1.00 0.00 C ATOM 200 C CYS A 14 2.584 2.879 5.722 1.00 0.00 C ATOM 201 O CYS A 14 2.482 1.700 5.379 1.00 0.00 O ATOM 202 CB CYS A 14 1.775 4.383 3.899 1.00 0.00 C ATOM 203 SG CYS A 14 3.076 5.630 3.754 1.00 0.00 S ATOM 0 H CYS A 14 1.581 5.950 5.814 1.00 0.00 H new ATOM 0 HA CYS A 14 0.545 3.424 5.382 1.00 0.00 H new ATOM 0 HB2 CYS A 14 2.039 3.525 3.281 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.848 4.792 3.496 1.00 0.00 H new ATOM 0 HG CYS A 14 3.139 6.321 4.853 1.00 0.00 H new ATOM 209 N GLN A 15 3.601 3.339 6.439 1.00 0.00 N ATOM 210 CA GLN A 15 4.690 2.481 6.884 1.00 0.00 C ATOM 211 C GLN A 15 4.164 1.198 7.535 1.00 0.00 C ATOM 212 O GLN A 15 4.828 0.161 7.509 1.00 0.00 O ATOM 213 CB GLN A 15 5.572 3.277 7.852 1.00 0.00 C ATOM 214 CG GLN A 15 5.478 2.838 9.308 1.00 0.00 C ATOM 215 CD GLN A 15 6.179 3.797 10.251 1.00 0.00 C ATOM 216 OE1 GLN A 15 7.329 3.582 10.631 1.00 0.00 O ATOM 217 NE2 GLN A 15 5.485 4.861 10.635 1.00 0.00 N ATOM 0 H GLN A 15 3.694 4.313 6.727 1.00 0.00 H new ATOM 0 HA GLN A 15 5.281 2.170 6.023 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.609 3.194 7.528 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.301 4.331 7.786 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.429 2.756 9.592 1.00 0.00 H new ATOM 0 HG3 GLN A 15 5.915 1.845 9.414 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.533 4.999 10.295 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.903 5.540 11.271 1.00 0.00 H new ATOM 226 N MET A 16 2.969 1.276 8.116 1.00 0.00 N ATOM 227 CA MET A 16 2.365 0.118 8.769 1.00 0.00 C ATOM 228 C MET A 16 2.059 -0.979 7.754 1.00 0.00 C ATOM 229 O MET A 16 2.615 -2.074 7.826 1.00 0.00 O ATOM 230 CB MET A 16 1.087 0.530 9.505 1.00 0.00 C ATOM 231 CG MET A 16 1.160 0.326 11.010 1.00 0.00 C ATOM 232 SD MET A 16 1.641 1.823 11.892 1.00 0.00 S ATOM 233 CE MET A 16 1.864 1.182 13.550 1.00 0.00 C ATOM 0 H MET A 16 2.403 2.124 8.148 1.00 0.00 H new ATOM 0 HA MET A 16 3.078 -0.275 9.494 1.00 0.00 H new ATOM 0 HB2 MET A 16 0.881 1.580 9.298 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.249 -0.043 9.109 1.00 0.00 H new ATOM 0 HG2 MET A 16 0.189 -0.010 11.375 1.00 0.00 H new ATOM 0 HG3 MET A 16 1.875 -0.467 11.231 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.164 1.991 14.216 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.927 0.751 13.902 1.00 0.00 H new ATOM 0 HE3 MET A 16 2.637 0.414 13.542 1.00 0.00 H new ATOM 243 N LEU A 17 1.182 -0.678 6.801 1.00 0.00 N ATOM 244 CA LEU A 17 0.824 -1.644 5.770 1.00 0.00 C ATOM 245 C LEU A 17 2.007 -1.898 4.842 1.00 0.00 C ATOM 246 O LEU A 17 2.056 -2.910 4.148 1.00 0.00 O ATOM 247 CB LEU A 17 -0.370 -1.150 4.954 1.00 0.00 C ATOM 248 CG LEU A 17 -1.005 -2.199 4.040 1.00 0.00 C ATOM 249 CD1 LEU A 17 -2.162 -2.888 4.742 1.00 0.00 C ATOM 250 CD2 LEU A 17 -1.470 -1.561 2.739 1.00 0.00 C ATOM 0 H LEU A 17 0.709 0.222 6.722 1.00 0.00 H new ATOM 0 HA LEU A 17 0.551 -2.576 6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.131 -0.779 5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.050 -0.305 4.345 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.252 -2.951 3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.601 -3.631 4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.799 -3.379 5.645 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.917 -2.149 5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.919 -2.322 2.101 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.207 -0.788 2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.617 -1.115 2.227 1.00 0.00 H new ATOM 262 N GLU A 18 2.958 -0.969 4.832 1.00 0.00 N ATOM 263 CA GLU A 18 4.143 -1.115 3.974 1.00 0.00 C ATOM 264 C GLU A 18 4.894 -2.397 4.324 1.00 0.00 C ATOM 265 O GLU A 18 5.220 -3.196 3.446 1.00 0.00 O ATOM 266 CB GLU A 18 5.101 0.089 4.076 1.00 0.00 C ATOM 267 CG GLU A 18 6.313 -0.034 3.166 1.00 0.00 C ATOM 268 CD GLU A 18 7.479 -0.732 3.838 1.00 0.00 C ATOM 269 OE1 GLU A 18 7.556 -0.693 5.084 1.00 0.00 O ATOM 270 OE2 GLU A 18 8.316 -1.316 3.119 1.00 0.00 O ATOM 0 H GLU A 18 2.939 -0.119 5.395 1.00 0.00 H new ATOM 0 HA GLU A 18 3.784 -1.162 2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.558 1.000 3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.438 0.191 5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.034 -0.585 2.268 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.625 0.960 2.846 1.00 0.00 H new ATOM 277 N LYS A 19 5.162 -2.589 5.613 1.00 0.00 N ATOM 278 CA LYS A 19 5.870 -3.778 6.075 1.00 0.00 C ATOM 279 C LYS A 19 4.967 -5.008 6.007 1.00 0.00 C ATOM 280 O LYS A 19 5.351 -6.045 5.465 1.00 0.00 O ATOM 281 CB LYS A 19 6.374 -3.574 7.506 1.00 0.00 C ATOM 282 CG LYS A 19 7.830 -3.965 7.699 1.00 0.00 C ATOM 283 CD LYS A 19 8.615 -2.870 8.403 1.00 0.00 C ATOM 284 CE LYS A 19 9.765 -3.441 9.216 1.00 0.00 C ATOM 285 NZ LYS A 19 10.028 -2.641 10.444 1.00 0.00 N ATOM 0 H LYS A 19 4.900 -1.938 6.354 1.00 0.00 H new ATOM 0 HA LYS A 19 6.725 -3.942 5.419 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.248 -2.527 7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.756 -4.159 8.187 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.886 -4.885 8.281 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.283 -4.173 6.730 1.00 0.00 H new ATOM 0 HD2 LYS A 19 9.004 -2.168 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.949 -2.308 9.058 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.537 -4.470 9.495 1.00 0.00 H new ATOM 0 HE3 LYS A 19 10.665 -3.469 8.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.819 -3.063 10.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.271 -1.666 10.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.178 -2.635 11.043 1.00 0.00 H new ATOM 299 N ASN A 20 3.767 -4.881 6.563 1.00 0.00 N ATOM 300 CA ASN A 20 2.800 -5.978 6.574 1.00 0.00 C ATOM 301 C ASN A 20 2.513 -6.472 5.159 1.00 0.00 C ATOM 302 O ASN A 20 2.573 -7.670 4.882 1.00 0.00 O ATOM 303 CB ASN A 20 1.493 -5.533 7.239 1.00 0.00 C ATOM 304 CG ASN A 20 1.726 -4.755 8.520 1.00 0.00 C ATOM 305 OD1 ASN A 20 2.836 -4.732 9.053 1.00 0.00 O ATOM 306 ND2 ASN A 20 0.678 -4.114 9.022 1.00 0.00 N ATOM 0 H ASN A 20 3.438 -4.027 7.014 1.00 0.00 H new ATOM 0 HA ASN A 20 3.234 -6.798 7.147 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.926 -4.916 6.542 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.883 -6.410 7.457 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.774 -3.575 9.883 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.224 -4.160 8.547 1.00 0.00 H new ATOM 313 N ALA A 21 2.191 -5.541 4.270 1.00 0.00 N ATOM 314 CA ALA A 21 1.885 -5.875 2.884 1.00 0.00 C ATOM 315 C ALA A 21 3.031 -6.633 2.224 1.00 0.00 C ATOM 316 O ALA A 21 2.804 -7.587 1.483 1.00 0.00 O ATOM 317 CB ALA A 21 1.569 -4.612 2.099 1.00 0.00 C ATOM 0 H ALA A 21 2.135 -4.545 4.485 1.00 0.00 H new ATOM 0 HA ALA A 21 1.011 -6.527 2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.342 -4.873 1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.709 -4.112 2.544 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.430 -3.943 2.124 1.00 0.00 H new ATOM 323 N ARG A 22 4.258 -6.196 2.485 1.00 0.00 N ATOM 324 CA ARG A 22 5.436 -6.832 1.902 1.00 0.00 C ATOM 325 C ARG A 22 5.547 -8.297 2.318 1.00 0.00 C ATOM 326 O ARG A 22 5.835 -9.163 1.490 1.00 0.00 O ATOM 327 CB ARG A 22 6.705 -6.072 2.311 1.00 0.00 C ATOM 328 CG ARG A 22 7.394 -5.371 1.151 1.00 0.00 C ATOM 329 CD ARG A 22 8.888 -5.236 1.391 1.00 0.00 C ATOM 330 NE ARG A 22 9.191 -4.237 2.413 1.00 0.00 N ATOM 331 CZ ARG A 22 10.361 -4.151 3.042 1.00 0.00 C ATOM 332 NH1 ARG A 22 11.340 -5.001 2.758 1.00 0.00 N ATOM 333 NH2 ARG A 22 10.552 -3.213 3.959 1.00 0.00 N ATOM 0 H ARG A 22 4.464 -5.405 3.095 1.00 0.00 H new ATOM 0 HA ARG A 22 5.329 -6.799 0.818 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.447 -5.333 3.070 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.405 -6.770 2.770 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.221 -5.931 0.232 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.956 -4.383 1.010 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.295 -6.200 1.695 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.381 -4.962 0.459 1.00 0.00 H new ATOM 0 HE ARG A 22 8.463 -3.566 2.659 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.198 -5.725 2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.234 -4.930 3.244 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.803 -2.558 4.182 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.448 -3.146 4.441 1.00 0.00 H new ATOM 347 N GLU A 23 5.328 -8.574 3.599 1.00 0.00 N ATOM 348 CA GLU A 23 5.417 -9.941 4.097 1.00 0.00 C ATOM 349 C GLU A 23 4.218 -10.766 3.641 1.00 0.00 C ATOM 350 O GLU A 23 4.375 -11.894 3.180 1.00 0.00 O ATOM 351 CB GLU A 23 5.529 -9.956 5.627 1.00 0.00 C ATOM 352 CG GLU A 23 4.277 -9.484 6.350 1.00 0.00 C ATOM 353 CD GLU A 23 4.344 -9.732 7.844 1.00 0.00 C ATOM 354 OE1 GLU A 23 5.096 -10.639 8.262 1.00 0.00 O ATOM 355 OE2 GLU A 23 3.645 -9.022 8.596 1.00 0.00 O ATOM 0 H GLU A 23 5.090 -7.877 4.305 1.00 0.00 H new ATOM 0 HA GLU A 23 6.318 -10.392 3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.762 -10.970 5.953 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.366 -9.325 5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.135 -8.419 6.167 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.408 -9.997 5.938 1.00 0.00 H new ATOM 362 N ALA A 24 3.023 -10.200 3.771 1.00 0.00 N ATOM 363 CA ALA A 24 1.800 -10.892 3.374 1.00 0.00 C ATOM 364 C ALA A 24 1.765 -11.164 1.873 1.00 0.00 C ATOM 365 O ALA A 24 1.487 -12.285 1.448 1.00 0.00 O ATOM 366 CB ALA A 24 0.579 -10.088 3.796 1.00 0.00 C ATOM 0 H ALA A 24 2.874 -9.264 4.148 1.00 0.00 H new ATOM 0 HA ALA A 24 1.786 -11.856 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.326 -10.615 3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.582 -9.963 4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.605 -9.109 3.318 1.00 0.00 H new ATOM 372 N VAL A 25 2.039 -10.139 1.070 1.00 0.00 N ATOM 373 CA VAL A 25 2.027 -10.287 -0.381 1.00 0.00 C ATOM 374 C VAL A 25 2.927 -11.447 -0.818 1.00 0.00 C ATOM 375 O VAL A 25 2.473 -12.367 -1.496 1.00 0.00 O ATOM 376 CB VAL A 25 2.464 -8.971 -1.093 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.911 -8.631 -0.776 1.00 0.00 C ATOM 378 CG2 VAL A 25 2.254 -9.084 -2.595 1.00 0.00 C ATOM 0 H VAL A 25 2.271 -9.202 1.398 1.00 0.00 H new ATOM 0 HA VAL A 25 1.001 -10.508 -0.677 1.00 0.00 H new ATOM 0 HB VAL A 25 1.841 -8.160 -0.717 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.188 -7.708 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.027 -8.500 0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.558 -9.441 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.564 -8.157 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.848 -9.911 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.199 -9.265 -2.802 1.00 0.00 H new ATOM 388 N LYS A 26 4.193 -11.409 -0.417 1.00 0.00 N ATOM 389 CA LYS A 26 5.136 -12.468 -0.759 1.00 0.00 C ATOM 390 C LYS A 26 4.774 -13.773 -0.047 1.00 0.00 C ATOM 391 O LYS A 26 4.818 -14.847 -0.648 1.00 0.00 O ATOM 392 CB LYS A 26 6.565 -12.050 -0.393 1.00 0.00 C ATOM 393 CG LYS A 26 7.573 -12.286 -1.507 1.00 0.00 C ATOM 394 CD LYS A 26 8.644 -13.282 -1.090 1.00 0.00 C ATOM 395 CE LYS A 26 8.102 -14.702 -1.057 1.00 0.00 C ATOM 396 NZ LYS A 26 9.063 -15.677 -1.640 1.00 0.00 N ATOM 0 H LYS A 26 4.590 -10.656 0.145 1.00 0.00 H new ATOM 0 HA LYS A 26 5.080 -12.635 -1.835 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.569 -10.992 -0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.880 -12.601 0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.057 -12.655 -2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.041 -11.341 -1.781 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.483 -13.228 -1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.027 -13.015 -0.105 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.881 -14.982 -0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.162 -14.745 -1.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.656 -16.633 -1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.255 -15.425 -2.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.951 -15.655 -1.099 1.00 0.00 H new ATOM 410 N GLU A 27 4.419 -13.675 1.235 1.00 0.00 N ATOM 411 CA GLU A 27 4.054 -14.854 2.021 1.00 0.00 C ATOM 412 C GLU A 27 2.876 -15.587 1.390 1.00 0.00 C ATOM 413 O GLU A 27 2.903 -16.808 1.239 1.00 0.00 O ATOM 414 CB GLU A 27 3.714 -14.457 3.459 1.00 0.00 C ATOM 415 CG GLU A 27 3.325 -15.630 4.344 1.00 0.00 C ATOM 416 CD GLU A 27 2.418 -15.221 5.487 1.00 0.00 C ATOM 417 OE1 GLU A 27 1.379 -14.581 5.220 1.00 0.00 O ATOM 418 OE2 GLU A 27 2.745 -15.540 6.649 1.00 0.00 O ATOM 0 H GLU A 27 4.377 -12.795 1.749 1.00 0.00 H new ATOM 0 HA GLU A 27 4.912 -15.526 2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.573 -13.951 3.899 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.895 -13.738 3.443 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.824 -16.386 3.740 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.227 -16.091 4.747 1.00 0.00 H new ATOM 425 N LEU A 28 1.843 -14.836 1.018 1.00 0.00 N ATOM 426 CA LEU A 28 0.659 -15.420 0.397 1.00 0.00 C ATOM 427 C LEU A 28 1.039 -16.250 -0.826 1.00 0.00 C ATOM 428 O LEU A 28 0.277 -17.112 -1.266 1.00 0.00 O ATOM 429 CB LEU A 28 -0.332 -14.322 -0.001 1.00 0.00 C ATOM 430 CG LEU A 28 -1.563 -14.210 0.898 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.415 -15.466 0.791 1.00 0.00 C ATOM 432 CD2 LEU A 28 -1.149 -13.966 2.341 1.00 0.00 C ATOM 0 H LEU A 28 1.802 -13.824 1.136 1.00 0.00 H new ATOM 0 HA LEU A 28 0.185 -16.077 1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.189 -13.365 0.000 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.662 -14.504 -1.024 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.159 -13.360 0.564 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.287 -15.370 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.741 -15.598 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.828 -16.331 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.038 -13.889 2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.532 -14.795 2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.579 -13.039 2.404 1.00 0.00 H new ATOM 444 N GLY A 29 2.224 -15.986 -1.372 1.00 0.00 N ATOM 445 CA GLY A 29 2.685 -16.717 -2.537 1.00 0.00 C ATOM 446 C GLY A 29 2.797 -15.840 -3.766 1.00 0.00 C ATOM 447 O GLY A 29 2.428 -16.250 -4.865 1.00 0.00 O ATOM 0 H GLY A 29 2.872 -15.278 -1.027 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.657 -17.161 -2.322 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.998 -17.538 -2.742 1.00 0.00 H new ATOM 451 N ILE A 30 3.313 -14.629 -3.578 1.00 0.00 N ATOM 452 CA ILE A 30 3.476 -13.689 -4.681 1.00 0.00 C ATOM 453 C ILE A 30 4.223 -12.436 -4.235 1.00 0.00 C ATOM 454 O ILE A 30 3.698 -11.622 -3.476 1.00 0.00 O ATOM 455 CB ILE A 30 2.119 -13.274 -5.294 1.00 0.00 C ATOM 456 CG1 ILE A 30 1.004 -13.333 -4.244 1.00 0.00 C ATOM 457 CG2 ILE A 30 1.780 -14.163 -6.480 1.00 0.00 C ATOM 458 CD1 ILE A 30 -0.016 -12.223 -4.385 1.00 0.00 C ATOM 0 H ILE A 30 3.625 -14.276 -2.673 1.00 0.00 H new ATOM 0 HA ILE A 30 4.059 -14.208 -5.442 1.00 0.00 H new ATOM 0 HB ILE A 30 2.203 -12.245 -5.642 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.496 -14.294 -4.318 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.449 -13.283 -3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.822 -13.858 -6.901 1.00 0.00 H new ATOM 0 HG22 ILE A 30 2.556 -14.068 -7.239 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.719 -15.200 -6.151 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -0.776 -12.326 -3.610 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.480 -11.258 -4.281 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.488 -12.285 -5.366 1.00 0.00 H new ATOM 470 N ASP A 31 5.450 -12.283 -4.722 1.00 0.00 N ATOM 471 CA ASP A 31 6.270 -11.131 -4.389 1.00 0.00 C ATOM 472 C ASP A 31 5.600 -9.852 -4.858 1.00 0.00 C ATOM 473 O ASP A 31 4.682 -9.886 -5.675 1.00 0.00 O ATOM 474 CB ASP A 31 7.654 -11.262 -5.030 1.00 0.00 C ATOM 475 CG ASP A 31 8.611 -10.177 -4.576 1.00 0.00 C ATOM 476 OD1 ASP A 31 8.903 -10.112 -3.363 1.00 0.00 O ATOM 477 OD2 ASP A 31 9.069 -9.393 -5.432 1.00 0.00 O ATOM 0 H ASP A 31 5.898 -12.949 -5.352 1.00 0.00 H new ATOM 0 HA ASP A 31 6.385 -11.090 -3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.073 -12.238 -4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.553 -11.222 -6.115 1.00 0.00 H new ATOM 482 N ALA A 32 6.057 -8.727 -4.336 1.00 0.00 N ATOM 483 CA ALA A 32 5.510 -7.445 -4.696 1.00 0.00 C ATOM 484 C ALA A 32 6.612 -6.414 -4.695 1.00 0.00 C ATOM 485 O ALA A 32 7.744 -6.706 -4.308 1.00 0.00 O ATOM 486 CB ALA A 32 4.409 -7.053 -3.728 1.00 0.00 C ATOM 0 H ALA A 32 6.814 -8.684 -3.654 1.00 0.00 H new ATOM 0 HA ALA A 32 5.078 -7.502 -5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.004 -6.082 -4.012 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.616 -7.800 -3.758 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.816 -6.996 -2.718 1.00 0.00 H new ATOM 492 N GLU A 33 6.286 -5.211 -5.108 1.00 0.00 N ATOM 493 CA GLU A 33 7.267 -4.151 -5.128 1.00 0.00 C ATOM 494 C GLU A 33 6.687 -2.909 -4.482 1.00 0.00 C ATOM 495 O GLU A 33 5.789 -2.272 -5.033 1.00 0.00 O ATOM 496 CB GLU A 33 7.721 -3.845 -6.554 1.00 0.00 C ATOM 497 CG GLU A 33 7.944 -5.085 -7.404 1.00 0.00 C ATOM 498 CD GLU A 33 6.648 -5.701 -7.888 1.00 0.00 C ATOM 499 OE1 GLU A 33 5.709 -4.941 -8.203 1.00 0.00 O ATOM 500 OE2 GLU A 33 6.570 -6.947 -7.953 1.00 0.00 O ATOM 0 H GLU A 33 5.357 -4.943 -5.432 1.00 0.00 H new ATOM 0 HA GLU A 33 8.141 -4.478 -4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.974 -3.214 -7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.646 -3.270 -6.516 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.562 -4.825 -8.264 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.499 -5.823 -6.825 1.00 0.00 H new ATOM 507 N PHE A 34 7.182 -2.584 -3.303 1.00 0.00 N ATOM 508 CA PHE A 34 6.684 -1.432 -2.576 1.00 0.00 C ATOM 509 C PHE A 34 7.603 -0.234 -2.711 1.00 0.00 C ATOM 510 O PHE A 34 8.697 -0.195 -2.146 1.00 0.00 O ATOM 511 CB PHE A 34 6.478 -1.795 -1.109 1.00 0.00 C ATOM 512 CG PHE A 34 5.559 -2.969 -0.933 1.00 0.00 C ATOM 513 CD1 PHE A 34 5.980 -4.251 -1.253 1.00 0.00 C ATOM 514 CD2 PHE A 34 4.268 -2.789 -0.469 1.00 0.00 C ATOM 515 CE1 PHE A 34 5.131 -5.328 -1.108 1.00 0.00 C ATOM 516 CE2 PHE A 34 3.413 -3.863 -0.325 1.00 0.00 C ATOM 517 CZ PHE A 34 3.844 -5.134 -0.644 1.00 0.00 C ATOM 0 H PHE A 34 7.925 -3.099 -2.830 1.00 0.00 H new ATOM 0 HA PHE A 34 5.727 -1.148 -3.013 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.443 -2.021 -0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.070 -0.935 -0.579 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.984 -4.408 -1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.925 -1.796 -0.217 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.472 -6.322 -1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.407 -3.708 0.037 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.177 -5.976 -0.531 1.00 0.00 H new ATOM 527 N GLU A 35 7.129 0.749 -3.460 1.00 0.00 N ATOM 528 CA GLU A 35 7.870 1.978 -3.682 1.00 0.00 C ATOM 529 C GLU A 35 7.070 3.167 -3.167 1.00 0.00 C ATOM 530 O GLU A 35 5.881 3.300 -3.464 1.00 0.00 O ATOM 531 CB GLU A 35 8.180 2.157 -5.169 1.00 0.00 C ATOM 532 CG GLU A 35 8.945 3.432 -5.484 1.00 0.00 C ATOM 533 CD GLU A 35 9.452 3.470 -6.912 1.00 0.00 C ATOM 534 OE1 GLU A 35 9.560 2.391 -7.533 1.00 0.00 O ATOM 535 OE2 GLU A 35 9.740 4.578 -7.409 1.00 0.00 O ATOM 0 H GLU A 35 6.224 0.717 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 35 8.812 1.920 -3.138 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.759 1.301 -5.516 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.245 2.157 -5.729 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.298 4.292 -5.309 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.789 3.523 -4.800 1.00 0.00 H new ATOM 542 N LYS A 36 7.717 4.023 -2.389 1.00 0.00 N ATOM 543 CA LYS A 36 7.045 5.189 -1.837 1.00 0.00 C ATOM 544 C LYS A 36 6.963 6.302 -2.873 1.00 0.00 C ATOM 545 O LYS A 36 7.888 6.506 -3.659 1.00 0.00 O ATOM 546 CB LYS A 36 7.759 5.687 -0.582 1.00 0.00 C ATOM 547 CG LYS A 36 8.366 4.574 0.259 1.00 0.00 C ATOM 548 CD LYS A 36 9.886 4.570 0.170 1.00 0.00 C ATOM 549 CE LYS A 36 10.521 5.130 1.432 1.00 0.00 C ATOM 550 NZ LYS A 36 11.045 4.053 2.316 1.00 0.00 N ATOM 0 H LYS A 36 8.699 3.933 -2.128 1.00 0.00 H new ATOM 0 HA LYS A 36 6.033 4.894 -1.562 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.547 6.381 -0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.052 6.248 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.062 4.696 1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.979 3.612 -0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.239 3.552 0.005 1.00 0.00 H new ATOM 0 HD3 LYS A 36 10.202 5.160 -0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 36 11.333 5.804 1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.785 5.721 1.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.470 4.477 3.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.266 3.424 2.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.766 3.505 1.805 1.00 0.00 H new ATOM 564 N ILE A 37 5.841 7.006 -2.875 1.00 0.00 N ATOM 565 CA ILE A 37 5.614 8.093 -3.819 1.00 0.00 C ATOM 566 C ILE A 37 5.467 9.420 -3.080 1.00 0.00 C ATOM 567 O ILE A 37 4.378 9.987 -3.001 1.00 0.00 O ATOM 568 CB ILE A 37 4.355 7.829 -4.689 1.00 0.00 C ATOM 569 CG1 ILE A 37 3.600 6.585 -4.192 1.00 0.00 C ATOM 570 CG2 ILE A 37 4.741 7.658 -6.147 1.00 0.00 C ATOM 571 CD1 ILE A 37 4.315 5.286 -4.496 1.00 0.00 C ATOM 0 H ILE A 37 5.068 6.843 -2.229 1.00 0.00 H new ATOM 0 HA ILE A 37 6.480 8.146 -4.478 1.00 0.00 H new ATOM 0 HB ILE A 37 3.696 8.692 -4.600 1.00 0.00 H new ATOM 0 HG12 ILE A 37 3.451 6.666 -3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.611 6.562 -4.650 1.00 0.00 H new ATOM 0 HG21 ILE A 37 3.846 7.474 -6.741 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.232 8.564 -6.502 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.423 6.813 -6.246 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.727 4.450 -4.118 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.440 5.183 -5.574 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.293 5.288 -4.016 1.00 0.00 H new ATOM 583 N LYS A 38 6.579 9.903 -2.529 1.00 0.00 N ATOM 584 CA LYS A 38 6.584 11.155 -1.783 1.00 0.00 C ATOM 585 C LYS A 38 6.485 12.353 -2.718 1.00 0.00 C ATOM 586 O LYS A 38 7.466 13.057 -2.957 1.00 0.00 O ATOM 587 CB LYS A 38 7.855 11.258 -0.937 1.00 0.00 C ATOM 588 CG LYS A 38 9.129 10.978 -1.718 1.00 0.00 C ATOM 589 CD LYS A 38 9.783 9.678 -1.277 1.00 0.00 C ATOM 590 CE LYS A 38 10.771 9.170 -2.315 1.00 0.00 C ATOM 591 NZ LYS A 38 10.112 8.304 -3.331 1.00 0.00 N ATOM 0 H LYS A 38 7.488 9.444 -2.587 1.00 0.00 H new ATOM 0 HA LYS A 38 5.713 11.161 -1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.915 12.257 -0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.786 10.556 -0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.900 10.928 -2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.829 11.802 -1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.298 9.832 -0.328 1.00 0.00 H new ATOM 0 HD3 LYS A 38 9.015 8.924 -1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 38 11.244 10.017 -2.812 1.00 0.00 H new ATOM 0 HE3 LYS A 38 11.563 8.609 -1.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.802 7.623 -3.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.323 7.790 -2.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.750 8.894 -4.107 1.00 0.00 H new ATOM 605 N GLU A 39 5.286 12.579 -3.234 1.00 0.00 N ATOM 606 CA GLU A 39 5.031 13.700 -4.144 1.00 0.00 C ATOM 607 C GLU A 39 3.603 13.645 -4.681 1.00 0.00 C ATOM 608 O GLU A 39 3.223 12.674 -5.335 1.00 0.00 O ATOM 609 CB GLU A 39 6.028 13.681 -5.307 1.00 0.00 C ATOM 610 CG GLU A 39 6.949 14.890 -5.339 1.00 0.00 C ATOM 611 CD GLU A 39 7.902 14.863 -6.518 1.00 0.00 C ATOM 612 OE1 GLU A 39 8.215 13.756 -7.003 1.00 0.00 O ATOM 613 OE2 GLU A 39 8.334 15.950 -6.957 1.00 0.00 O ATOM 0 H GLU A 39 4.468 12.002 -3.041 1.00 0.00 H new ATOM 0 HA GLU A 39 5.157 14.627 -3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.632 12.776 -5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.477 13.629 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.349 15.799 -5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.523 14.930 -4.413 1.00 0.00 H new ATOM 620 N MET A 40 2.812 14.689 -4.411 1.00 0.00 N ATOM 621 CA MET A 40 1.429 14.733 -4.875 1.00 0.00 C ATOM 622 C MET A 40 1.351 14.489 -6.373 1.00 0.00 C ATOM 623 O MET A 40 0.353 13.968 -6.869 1.00 0.00 O ATOM 624 CB MET A 40 0.786 16.076 -4.525 1.00 0.00 C ATOM 625 CG MET A 40 1.424 17.260 -5.234 1.00 0.00 C ATOM 626 SD MET A 40 0.871 18.845 -4.577 1.00 0.00 S ATOM 627 CE MET A 40 1.319 18.672 -2.852 1.00 0.00 C ATOM 0 H MET A 40 3.106 15.507 -3.877 1.00 0.00 H new ATOM 0 HA MET A 40 0.880 13.940 -4.368 1.00 0.00 H new ATOM 0 HB2 MET A 40 -0.273 16.039 -4.779 1.00 0.00 H new ATOM 0 HB3 MET A 40 0.851 16.230 -3.448 1.00 0.00 H new ATOM 0 HG2 MET A 40 2.508 17.192 -5.143 1.00 0.00 H new ATOM 0 HG3 MET A 40 1.190 17.211 -6.297 1.00 0.00 H new ATOM 0 HE1 MET A 40 1.482 19.658 -2.418 1.00 0.00 H new ATOM 0 HE2 MET A 40 0.515 18.168 -2.316 1.00 0.00 H new ATOM 0 HE3 MET A 40 2.234 18.085 -2.771 1.00 0.00 H new ATOM 637 N ASP A 41 2.414 14.838 -7.093 1.00 0.00 N ATOM 638 CA ASP A 41 2.446 14.614 -8.531 1.00 0.00 C ATOM 639 C ASP A 41 2.084 13.161 -8.798 1.00 0.00 C ATOM 640 O ASP A 41 1.342 12.844 -9.727 1.00 0.00 O ATOM 641 CB ASP A 41 3.833 14.929 -9.097 1.00 0.00 C ATOM 642 CG ASP A 41 3.941 16.353 -9.605 1.00 0.00 C ATOM 643 OD1 ASP A 41 2.921 16.891 -10.085 1.00 0.00 O ATOM 644 OD2 ASP A 41 5.044 16.930 -9.523 1.00 0.00 O ATOM 0 H ASP A 41 3.253 15.271 -6.708 1.00 0.00 H new ATOM 0 HA ASP A 41 1.730 15.274 -9.021 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.584 14.764 -8.324 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.056 14.238 -9.910 1.00 0.00 H new ATOM 649 N GLN A 42 2.603 12.290 -7.940 1.00 0.00 N ATOM 650 CA GLN A 42 2.328 10.867 -8.026 1.00 0.00 C ATOM 651 C GLN A 42 1.060 10.518 -7.247 1.00 0.00 C ATOM 652 O GLN A 42 0.299 9.639 -7.646 1.00 0.00 O ATOM 653 CB GLN A 42 3.511 10.062 -7.492 1.00 0.00 C ATOM 654 CG GLN A 42 4.829 10.383 -8.181 1.00 0.00 C ATOM 655 CD GLN A 42 5.380 9.205 -8.962 1.00 0.00 C ATOM 656 OE1 GLN A 42 6.284 8.507 -8.501 1.00 0.00 O ATOM 657 NE2 GLN A 42 4.836 8.978 -10.152 1.00 0.00 N ATOM 0 H GLN A 42 3.221 12.551 -7.172 1.00 0.00 H new ATOM 0 HA GLN A 42 2.175 10.611 -9.074 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.614 10.250 -6.423 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.299 8.999 -7.610 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.686 11.227 -8.856 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.560 10.693 -7.434 1.00 0.00 H new ATOM 0 HE21 GLN A 42 4.089 9.582 -10.495 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.165 8.200 -10.723 1.00 0.00 H new ATOM 666 N ILE A 43 0.842 11.212 -6.122 1.00 0.00 N ATOM 667 CA ILE A 43 -0.333 10.960 -5.290 1.00 0.00 C ATOM 668 C ILE A 43 -1.616 11.246 -6.050 1.00 0.00 C ATOM 669 O ILE A 43 -2.495 10.393 -6.158 1.00 0.00 O ATOM 670 CB ILE A 43 -0.336 11.793 -3.992 1.00 0.00 C ATOM 671 CG1 ILE A 43 1.040 11.767 -3.321 1.00 0.00 C ATOM 672 CG2 ILE A 43 -1.401 11.262 -3.040 1.00 0.00 C ATOM 673 CD1 ILE A 43 1.088 12.517 -2.007 1.00 0.00 C ATOM 0 H ILE A 43 1.460 11.945 -5.773 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.283 9.904 -5.023 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.567 12.828 -4.245 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.332 10.731 -3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.775 12.196 -4.002 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.399 11.854 -2.125 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.380 11.331 -3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -1.187 10.221 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.093 12.456 -1.590 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.828 13.562 -2.175 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.378 12.074 -1.309 1.00 0.00 H new ATOM 685 N LEU A 44 -1.711 12.455 -6.577 1.00 0.00 N ATOM 686 CA LEU A 44 -2.883 12.869 -7.336 1.00 0.00 C ATOM 687 C LEU A 44 -3.089 11.946 -8.532 1.00 0.00 C ATOM 688 O LEU A 44 -4.221 11.677 -8.933 1.00 0.00 O ATOM 689 CB LEU A 44 -2.750 14.338 -7.773 1.00 0.00 C ATOM 690 CG LEU A 44 -2.390 14.582 -9.243 1.00 0.00 C ATOM 691 CD1 LEU A 44 -2.762 15.997 -9.653 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.909 14.333 -9.477 1.00 0.00 C ATOM 0 H LEU A 44 -0.989 13.171 -6.494 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.764 12.793 -6.698 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.693 14.843 -7.564 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.990 14.812 -7.152 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.958 13.884 -9.857 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.500 16.153 -10.699 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.834 16.144 -9.522 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.219 16.710 -9.032 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.671 14.511 -10.526 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.323 15.008 -8.853 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.669 13.301 -9.221 1.00 0.00 H new ATOM 704 N GLU A 45 -1.986 11.441 -9.082 1.00 0.00 N ATOM 705 CA GLU A 45 -2.053 10.526 -10.213 1.00 0.00 C ATOM 706 C GLU A 45 -2.857 9.297 -9.816 1.00 0.00 C ATOM 707 O GLU A 45 -3.653 8.775 -10.595 1.00 0.00 O ATOM 708 CB GLU A 45 -0.647 10.114 -10.656 1.00 0.00 C ATOM 709 CG GLU A 45 -0.619 9.375 -11.986 1.00 0.00 C ATOM 710 CD GLU A 45 0.372 9.972 -12.965 1.00 0.00 C ATOM 711 OE1 GLU A 45 0.624 11.192 -12.886 1.00 0.00 O ATOM 712 OE2 GLU A 45 0.898 9.218 -13.810 1.00 0.00 O ATOM 0 H GLU A 45 -1.040 11.651 -8.762 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.540 11.027 -11.049 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -0.023 11.005 -10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.205 9.480 -9.888 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.366 8.329 -11.811 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.615 9.392 -12.428 1.00 0.00 H new ATOM 719 N ALA A 46 -2.654 8.864 -8.576 1.00 0.00 N ATOM 720 CA ALA A 46 -3.368 7.720 -8.038 1.00 0.00 C ATOM 721 C ALA A 46 -4.836 8.073 -7.860 1.00 0.00 C ATOM 722 O ALA A 46 -5.724 7.273 -8.153 1.00 0.00 O ATOM 723 CB ALA A 46 -2.756 7.297 -6.711 1.00 0.00 C ATOM 0 H ALA A 46 -1.997 9.293 -7.925 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.288 6.885 -8.734 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.300 6.438 -6.317 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.711 7.027 -6.862 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.818 8.122 -6.002 1.00 0.00 H new ATOM 729 N GLY A 47 -5.077 9.291 -7.387 1.00 0.00 N ATOM 730 CA GLY A 47 -6.433 9.757 -7.186 1.00 0.00 C ATOM 731 C GLY A 47 -7.051 9.252 -5.897 1.00 0.00 C ATOM 732 O GLY A 47 -8.274 9.140 -5.800 1.00 0.00 O ATOM 0 H GLY A 47 -4.353 9.965 -7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.439 10.847 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.049 9.438 -8.027 1.00 0.00 H new ATOM 736 N LEU A 48 -6.219 8.942 -4.901 1.00 0.00 N ATOM 737 CA LEU A 48 -6.734 8.445 -3.622 1.00 0.00 C ATOM 738 C LEU A 48 -7.898 9.310 -3.123 1.00 0.00 C ATOM 739 O LEU A 48 -9.059 9.005 -3.390 1.00 0.00 O ATOM 740 CB LEU A 48 -5.650 8.347 -2.516 1.00 0.00 C ATOM 741 CG LEU A 48 -4.261 8.943 -2.790 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.416 7.975 -3.596 1.00 0.00 C ATOM 743 CD2 LEU A 48 -4.347 10.309 -3.463 1.00 0.00 C ATOM 0 H LEU A 48 -5.204 9.024 -4.951 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.085 7.432 -3.821 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.046 8.828 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.516 7.292 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.773 9.101 -1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.436 8.414 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.298 7.045 -3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.906 7.769 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.342 10.692 -3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.869 10.213 -4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.891 10.999 -2.818 1.00 0.00 H new ATOM 755 N THR A 49 -7.566 10.377 -2.390 1.00 0.00 N ATOM 756 CA THR A 49 -8.548 11.306 -1.818 1.00 0.00 C ATOM 757 C THR A 49 -8.018 11.853 -0.496 1.00 0.00 C ATOM 758 O THR A 49 -8.381 12.947 -0.065 1.00 0.00 O ATOM 759 CB THR A 49 -9.933 10.647 -1.585 1.00 0.00 C ATOM 760 OG1 THR A 49 -10.688 10.656 -2.803 1.00 0.00 O ATOM 761 CG2 THR A 49 -10.725 11.371 -0.501 1.00 0.00 C ATOM 0 H THR A 49 -6.600 10.623 -2.175 1.00 0.00 H new ATOM 0 HA THR A 49 -8.690 12.111 -2.539 1.00 0.00 H new ATOM 0 HB THR A 49 -9.759 9.622 -1.257 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.157 10.251 -3.520 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.689 10.881 -0.366 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.169 11.343 0.436 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.884 12.408 -0.797 1.00 0.00 H new ATOM 769 N ALA A 50 -7.147 11.074 0.126 1.00 0.00 N ATOM 770 CA ALA A 50 -6.532 11.443 1.390 1.00 0.00 C ATOM 771 C ALA A 50 -5.017 11.456 1.243 1.00 0.00 C ATOM 772 O ALA A 50 -4.500 11.421 0.126 1.00 0.00 O ATOM 773 CB ALA A 50 -6.958 10.472 2.480 1.00 0.00 C ATOM 0 H ALA A 50 -6.847 10.167 -0.232 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.862 12.443 1.672 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.492 10.757 3.423 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.042 10.499 2.588 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.645 9.463 2.211 1.00 0.00 H new ATOM 779 N LEU A 51 -4.302 11.508 2.360 1.00 0.00 N ATOM 780 CA LEU A 51 -2.849 11.527 2.308 1.00 0.00 C ATOM 781 C LEU A 51 -2.273 10.118 2.185 1.00 0.00 C ATOM 782 O LEU A 51 -1.574 9.813 1.218 1.00 0.00 O ATOM 783 CB LEU A 51 -2.268 12.244 3.531 1.00 0.00 C ATOM 784 CG LEU A 51 -1.559 13.567 3.228 1.00 0.00 C ATOM 785 CD1 LEU A 51 -2.468 14.744 3.546 1.00 0.00 C ATOM 786 CD2 LEU A 51 -0.259 13.668 4.012 1.00 0.00 C ATOM 0 H LEU A 51 -4.699 11.537 3.299 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.561 12.081 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.075 12.435 4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.562 11.575 4.024 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.321 13.594 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.948 15.676 3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.372 14.680 2.940 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.737 14.721 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.231 14.615 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.473 13.618 5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.398 12.844 3.735 1.00 0.00 H new ATOM 798 N PRO A 52 -2.553 9.234 3.155 1.00 0.00 N ATOM 799 CA PRO A 52 -2.052 7.857 3.134 1.00 0.00 C ATOM 800 C PRO A 52 -2.712 7.010 2.045 1.00 0.00 C ATOM 801 O PRO A 52 -3.303 5.969 2.334 1.00 0.00 O ATOM 802 CB PRO A 52 -2.411 7.311 4.527 1.00 0.00 C ATOM 803 CG PRO A 52 -2.843 8.494 5.329 1.00 0.00 C ATOM 804 CD PRO A 52 -3.369 9.494 4.344 1.00 0.00 C ATOM 0 HA PRO A 52 -0.985 7.824 2.914 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.208 6.570 4.463 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.554 6.819 4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.611 8.216 6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.008 8.907 5.895 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.431 9.348 4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.249 10.517 4.702 1.00 0.00 H new ATOM 812 N GLY A 53 -2.600 7.448 0.793 1.00 0.00 N ATOM 813 CA GLY A 53 -3.185 6.696 -0.302 1.00 0.00 C ATOM 814 C GLY A 53 -2.297 5.552 -0.731 1.00 0.00 C ATOM 815 O GLY A 53 -1.077 5.697 -0.790 1.00 0.00 O ATOM 0 H GLY A 53 -2.118 8.304 0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.157 6.308 0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -3.357 7.360 -1.149 1.00 0.00 H new ATOM 819 N LEU A 54 -2.901 4.410 -1.023 1.00 0.00 N ATOM 820 CA LEU A 54 -2.140 3.244 -1.442 1.00 0.00 C ATOM 821 C LEU A 54 -2.816 2.545 -2.606 1.00 0.00 C ATOM 822 O LEU A 54 -3.875 1.938 -2.446 1.00 0.00 O ATOM 823 CB LEU A 54 -1.970 2.257 -0.285 1.00 0.00 C ATOM 824 CG LEU A 54 -2.045 2.863 1.116 1.00 0.00 C ATOM 825 CD1 LEU A 54 -2.367 1.785 2.136 1.00 0.00 C ATOM 826 CD2 LEU A 54 -0.739 3.561 1.465 1.00 0.00 C ATOM 0 H LEU A 54 -3.910 4.266 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.157 3.592 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.738 1.489 -0.371 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.007 1.758 -0.395 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.843 3.606 1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.418 2.229 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.327 1.329 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.588 1.023 2.118 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.810 3.987 2.466 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.078 2.840 1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.548 4.357 0.745 1.00 0.00 H new ATOM 838 N ALA A 55 -2.197 2.617 -3.774 1.00 0.00 N ATOM 839 CA ALA A 55 -2.749 1.968 -4.950 1.00 0.00 C ATOM 840 C ALA A 55 -2.045 0.642 -5.192 1.00 0.00 C ATOM 841 O ALA A 55 -0.822 0.591 -5.314 1.00 0.00 O ATOM 842 CB ALA A 55 -2.637 2.869 -6.169 1.00 0.00 C ATOM 0 H ALA A 55 -1.320 3.114 -3.931 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.807 1.774 -4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.057 2.361 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.185 3.794 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.588 3.099 -6.356 1.00 0.00 H new ATOM 848 N VAL A 56 -2.818 -0.432 -5.240 1.00 0.00 N ATOM 849 CA VAL A 56 -2.255 -1.758 -5.447 1.00 0.00 C ATOM 850 C VAL A 56 -2.714 -2.367 -6.756 1.00 0.00 C ATOM 851 O VAL A 56 -3.883 -2.278 -7.127 1.00 0.00 O ATOM 852 CB VAL A 56 -2.604 -2.714 -4.294 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.523 -2.653 -3.233 1.00 0.00 C ATOM 854 CG2 VAL A 56 -3.970 -2.385 -3.702 1.00 0.00 C ATOM 0 H VAL A 56 -3.833 -0.412 -5.139 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.174 -1.625 -5.480 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.655 -3.730 -4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.774 -3.332 -2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.568 -2.947 -3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.448 -1.636 -2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.190 -3.077 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.964 -1.365 -3.319 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.733 -2.478 -4.475 1.00 0.00 H new ATOM 864 N ASP A 57 -1.771 -2.986 -7.455 1.00 0.00 N ATOM 865 CA ASP A 57 -2.054 -3.618 -8.742 1.00 0.00 C ATOM 866 C ASP A 57 -2.875 -2.686 -9.634 1.00 0.00 C ATOM 867 O ASP A 57 -3.633 -3.140 -10.490 1.00 0.00 O ATOM 868 CB ASP A 57 -2.801 -4.938 -8.533 1.00 0.00 C ATOM 869 CG ASP A 57 -2.005 -6.134 -9.019 1.00 0.00 C ATOM 870 OD1 ASP A 57 -1.867 -6.295 -10.250 1.00 0.00 O ATOM 871 OD2 ASP A 57 -1.520 -6.909 -8.168 1.00 0.00 O ATOM 0 H ASP A 57 -0.800 -3.065 -7.153 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.105 -3.823 -9.237 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.027 -5.061 -7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.754 -4.901 -9.060 1.00 0.00 H new ATOM 876 N GLY A 58 -2.721 -1.383 -9.418 1.00 0.00 N ATOM 877 CA GLY A 58 -3.457 -0.409 -10.201 1.00 0.00 C ATOM 878 C GLY A 58 -4.890 -0.256 -9.730 1.00 0.00 C ATOM 879 O GLY A 58 -5.793 -0.015 -10.531 1.00 0.00 O ATOM 0 H GLY A 58 -2.099 -0.985 -8.714 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.953 0.556 -10.143 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.451 -0.709 -11.249 1.00 0.00 H new ATOM 883 N GLU A 59 -5.099 -0.404 -8.425 1.00 0.00 N ATOM 884 CA GLU A 59 -6.431 -0.287 -7.844 1.00 0.00 C ATOM 885 C GLU A 59 -6.364 0.273 -6.425 1.00 0.00 C ATOM 886 O GLU A 59 -6.115 -0.460 -5.468 1.00 0.00 O ATOM 887 CB GLU A 59 -7.123 -1.651 -7.832 1.00 0.00 C ATOM 888 CG GLU A 59 -7.891 -1.956 -9.108 1.00 0.00 C ATOM 889 CD GLU A 59 -9.389 -1.793 -8.938 1.00 0.00 C ATOM 890 OE1 GLU A 59 -9.889 -0.664 -9.129 1.00 0.00 O ATOM 891 OE2 GLU A 59 -10.061 -2.794 -8.615 1.00 0.00 O ATOM 0 H GLU A 59 -4.361 -0.605 -7.750 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.008 0.404 -8.459 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.374 -2.427 -7.674 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.809 -1.693 -6.986 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.545 -1.295 -9.903 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.673 -2.976 -9.424 1.00 0.00 H new ATOM 898 N LEU A 60 -6.592 1.576 -6.299 1.00 0.00 N ATOM 899 CA LEU A 60 -6.561 2.240 -4.999 1.00 0.00 C ATOM 900 C LEU A 60 -7.609 1.658 -4.064 1.00 0.00 C ATOM 901 O LEU A 60 -8.757 1.444 -4.457 1.00 0.00 O ATOM 902 CB LEU A 60 -6.787 3.739 -5.171 1.00 0.00 C ATOM 903 CG LEU A 60 -5.836 4.418 -6.157 1.00 0.00 C ATOM 904 CD1 LEU A 60 -6.564 4.782 -7.443 1.00 0.00 C ATOM 905 CD2 LEU A 60 -5.201 5.650 -5.530 1.00 0.00 C ATOM 0 H LEU A 60 -6.801 2.195 -7.082 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.579 2.074 -4.555 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.812 3.903 -5.504 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.687 4.222 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.041 3.714 -6.404 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.869 5.264 -8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.962 3.878 -7.904 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.383 5.465 -7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.528 6.118 -6.248 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.981 6.358 -5.249 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.639 5.358 -4.643 1.00 0.00 H new ATOM 917 N LYS A 61 -7.208 1.395 -2.824 1.00 0.00 N ATOM 918 CA LYS A 61 -8.120 0.827 -1.840 1.00 0.00 C ATOM 919 C LYS A 61 -7.879 1.385 -0.435 1.00 0.00 C ATOM 920 O LYS A 61 -8.541 0.966 0.514 1.00 0.00 O ATOM 921 CB LYS A 61 -7.984 -0.698 -1.823 1.00 0.00 C ATOM 922 CG LYS A 61 -9.206 -1.424 -2.360 1.00 0.00 C ATOM 923 CD LYS A 61 -10.132 -1.865 -1.237 1.00 0.00 C ATOM 924 CE LYS A 61 -11.326 -0.934 -1.102 1.00 0.00 C ATOM 925 NZ LYS A 61 -12.321 -1.443 -0.116 1.00 0.00 N ATOM 0 H LYS A 61 -6.263 1.565 -2.479 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.132 1.107 -2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.114 -0.983 -2.414 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.797 -1.026 -0.801 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.748 -0.770 -3.044 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -8.890 -2.294 -2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.480 -2.880 -1.429 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.580 -1.889 -0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.983 0.054 -0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.806 -0.816 -2.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -13.119 -0.779 -0.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.668 -2.374 -0.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.871 -1.531 0.817 1.00 0.00 H new ATOM 939 N ILE A 62 -6.941 2.324 -0.287 1.00 0.00 N ATOM 940 CA ILE A 62 -6.666 2.893 1.031 1.00 0.00 C ATOM 941 C ILE A 62 -6.474 4.403 0.962 1.00 0.00 C ATOM 942 O ILE A 62 -5.679 4.898 0.168 1.00 0.00 O ATOM 943 CB ILE A 62 -5.421 2.256 1.673 1.00 0.00 C ATOM 944 CG1 ILE A 62 -5.511 0.730 1.610 1.00 0.00 C ATOM 945 CG2 ILE A 62 -5.275 2.727 3.112 1.00 0.00 C ATOM 946 CD1 ILE A 62 -5.009 0.148 0.306 1.00 0.00 C ATOM 0 H ILE A 62 -6.372 2.699 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.537 2.674 1.649 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.538 2.569 1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.936 0.306 2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -6.548 0.429 1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -4.391 2.270 3.556 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.171 3.812 3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -6.158 2.437 3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.103 -0.938 0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.600 0.543 -0.520 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.962 0.419 0.166 1.00 0.00 H new ATOM 958 N MET A 63 -7.216 5.133 1.795 1.00 0.00 N ATOM 959 CA MET A 63 -7.124 6.589 1.815 1.00 0.00 C ATOM 960 C MET A 63 -7.358 7.166 3.209 1.00 0.00 C ATOM 961 O MET A 63 -8.383 6.896 3.835 1.00 0.00 O ATOM 962 CB MET A 63 -8.139 7.181 0.844 1.00 0.00 C ATOM 963 CG MET A 63 -7.601 7.324 -0.565 1.00 0.00 C ATOM 964 SD MET A 63 -8.379 6.187 -1.730 1.00 0.00 S ATOM 965 CE MET A 63 -10.108 6.578 -1.477 1.00 0.00 C ATOM 0 H MET A 63 -7.883 4.741 2.460 1.00 0.00 H new ATOM 0 HA MET A 63 -6.111 6.855 1.514 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.026 6.548 0.825 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.453 8.159 1.208 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.755 8.348 -0.906 1.00 0.00 H new ATOM 0 HG3 MET A 63 -6.525 7.149 -0.558 1.00 0.00 H new ATOM 0 HE1 MET A 63 -10.612 5.724 -1.024 1.00 0.00 H new ATOM 0 HE2 MET A 63 -10.193 7.442 -0.817 1.00 0.00 H new ATOM 0 HE3 MET A 63 -10.573 6.807 -2.436 1.00 0.00 H new ATOM 975 N GLY A 64 -6.421 7.989 3.679 1.00 0.00 N ATOM 976 CA GLY A 64 -6.580 8.615 4.984 1.00 0.00 C ATOM 977 C GLY A 64 -6.289 7.682 6.141 1.00 0.00 C ATOM 978 O GLY A 64 -6.464 8.055 7.300 1.00 0.00 O ATOM 0 H GLY A 64 -5.562 8.232 3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.917 9.478 5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.600 8.989 5.077 1.00 0.00 H new ATOM 982 N ARG A 65 -5.845 6.472 5.834 1.00 0.00 N ATOM 983 CA ARG A 65 -5.536 5.492 6.871 1.00 0.00 C ATOM 984 C ARG A 65 -5.087 4.182 6.248 1.00 0.00 C ATOM 985 O ARG A 65 -5.894 3.452 5.673 1.00 0.00 O ATOM 986 CB ARG A 65 -6.757 5.250 7.762 1.00 0.00 C ATOM 987 CG ARG A 65 -6.408 5.014 9.223 1.00 0.00 C ATOM 988 CD ARG A 65 -7.243 3.893 9.821 1.00 0.00 C ATOM 989 NE ARG A 65 -8.675 4.154 9.703 1.00 0.00 N ATOM 990 CZ ARG A 65 -9.612 3.215 9.817 1.00 0.00 C ATOM 991 NH1 ARG A 65 -9.271 1.955 10.055 1.00 0.00 N ATOM 992 NH2 ARG A 65 -10.893 3.537 9.695 1.00 0.00 N ATOM 0 H ARG A 65 -5.690 6.144 4.881 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.726 5.889 7.483 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -7.424 6.109 7.691 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.306 4.388 7.385 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -5.350 4.767 9.310 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -6.569 5.931 9.789 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -7.003 2.955 9.320 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.983 3.768 10.872 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.975 5.112 9.523 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -8.288 1.702 10.151 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -9.992 1.239 10.142 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.161 4.504 9.514 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -11.610 2.817 9.782 1.00 0.00 H new ATOM 1006 N VAL A 66 -3.800 3.881 6.363 1.00 0.00 N ATOM 1007 CA VAL A 66 -3.268 2.653 5.801 1.00 0.00 C ATOM 1008 C VAL A 66 -3.963 1.435 6.411 1.00 0.00 C ATOM 1009 O VAL A 66 -4.228 1.401 7.613 1.00 0.00 O ATOM 1010 CB VAL A 66 -1.735 2.552 5.996 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.373 1.876 7.312 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -1.103 1.818 4.827 1.00 0.00 C ATOM 0 H VAL A 66 -3.112 4.467 6.837 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.466 2.671 4.729 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.339 3.567 6.034 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.288 1.826 7.409 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.785 2.450 8.142 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.786 0.867 7.329 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.025 1.754 4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.520 0.813 4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.309 2.359 3.903 1.00 0.00 H new ATOM 1022 N ALA A 67 -4.264 0.444 5.579 1.00 0.00 N ATOM 1023 CA ALA A 67 -4.939 -0.763 6.044 1.00 0.00 C ATOM 1024 C ALA A 67 -4.076 -1.534 7.037 1.00 0.00 C ATOM 1025 O ALA A 67 -2.889 -1.247 7.197 1.00 0.00 O ATOM 1026 CB ALA A 67 -5.313 -1.649 4.864 1.00 0.00 C ATOM 0 H ALA A 67 -4.052 0.452 4.581 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.850 -0.460 6.559 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.816 -2.545 5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -5.980 -1.104 4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.411 -1.933 4.322 1.00 0.00 H new ATOM 1032 N SER A 68 -4.682 -2.511 7.705 1.00 0.00 N ATOM 1033 CA SER A 68 -3.972 -3.323 8.686 1.00 0.00 C ATOM 1034 C SER A 68 -3.628 -4.697 8.118 1.00 0.00 C ATOM 1035 O SER A 68 -3.859 -4.970 6.940 1.00 0.00 O ATOM 1036 CB SER A 68 -4.813 -3.479 9.954 1.00 0.00 C ATOM 1037 OG SER A 68 -4.017 -3.902 11.048 1.00 0.00 O ATOM 0 H SER A 68 -5.664 -2.759 7.584 1.00 0.00 H new ATOM 0 HA SER A 68 -3.042 -2.812 8.934 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.292 -2.530 10.195 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.609 -4.203 9.779 1.00 0.00 H new ATOM 0 HG SER A 68 -4.579 -3.992 11.846 1.00 0.00 H new ATOM 1043 N LYS A 69 -3.074 -5.558 8.966 1.00 0.00 N ATOM 1044 CA LYS A 69 -2.695 -6.906 8.554 1.00 0.00 C ATOM 1045 C LYS A 69 -3.906 -7.692 8.064 1.00 0.00 C ATOM 1046 O LYS A 69 -3.928 -8.177 6.934 1.00 0.00 O ATOM 1047 CB LYS A 69 -2.032 -7.646 9.717 1.00 0.00 C ATOM 1048 CG LYS A 69 -1.225 -8.861 9.284 1.00 0.00 C ATOM 1049 CD LYS A 69 0.238 -8.734 9.683 1.00 0.00 C ATOM 1050 CE LYS A 69 0.792 -10.052 10.198 1.00 0.00 C ATOM 1051 NZ LYS A 69 1.313 -10.906 9.094 1.00 0.00 N ATOM 0 H LYS A 69 -2.877 -5.346 9.944 1.00 0.00 H new ATOM 0 HA LYS A 69 -1.986 -6.819 7.730 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.377 -6.956 10.250 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.801 -7.963 10.421 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.649 -9.759 9.734 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.299 -8.981 8.203 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.823 -8.403 8.825 1.00 0.00 H new ATOM 0 HD3 LYS A 69 0.341 -7.969 10.453 1.00 0.00 H new ATOM 0 HE2 LYS A 69 1.591 -9.855 10.913 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.010 -10.589 10.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 0.890 -11.854 9.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.067 -10.478 8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.347 -10.983 9.173 1.00 0.00 H new ATOM 1065 N GLU A 70 -4.913 -7.815 8.925 1.00 0.00 N ATOM 1066 CA GLU A 70 -6.130 -8.547 8.583 1.00 0.00 C ATOM 1067 C GLU A 70 -6.736 -8.030 7.280 1.00 0.00 C ATOM 1068 O GLU A 70 -7.313 -8.793 6.507 1.00 0.00 O ATOM 1069 CB GLU A 70 -7.152 -8.433 9.715 1.00 0.00 C ATOM 1070 CG GLU A 70 -7.080 -9.575 10.717 1.00 0.00 C ATOM 1071 CD GLU A 70 -6.273 -9.218 11.949 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -6.267 -8.029 12.333 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -5.644 -10.128 12.529 1.00 0.00 O ATOM 0 H GLU A 70 -4.911 -7.417 9.864 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.864 -9.595 8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.997 -7.490 10.240 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.154 -8.399 9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.090 -9.855 11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.637 -10.448 10.237 1.00 0.00 H new ATOM 1080 N GLU A 71 -6.599 -6.729 7.045 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.133 -6.111 5.838 1.00 0.00 C ATOM 1082 C GLU A 71 -6.444 -6.664 4.594 1.00 0.00 C ATOM 1083 O GLU A 71 -7.076 -6.862 3.557 1.00 0.00 O ATOM 1084 CB GLU A 71 -6.964 -4.591 5.901 1.00 0.00 C ATOM 1085 CG GLU A 71 -8.281 -3.833 5.915 1.00 0.00 C ATOM 1086 CD GLU A 71 -9.181 -4.250 7.062 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -8.652 -4.707 8.097 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -10.416 -4.120 6.925 1.00 0.00 O ATOM 0 H GLU A 71 -6.123 -6.083 7.675 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.195 -6.347 5.776 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.397 -4.334 6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.375 -4.263 5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.080 -2.764 5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.801 -3.998 4.971 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.142 -6.910 4.705 1.00 0.00 N ATOM 1096 CA ILE A 72 -4.367 -7.441 3.589 1.00 0.00 C ATOM 1097 C ILE A 72 -4.833 -8.846 3.220 1.00 0.00 C ATOM 1098 O ILE A 72 -5.182 -9.112 2.070 1.00 0.00 O ATOM 1099 CB ILE A 72 -2.861 -7.478 3.918 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -2.388 -6.107 4.403 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.061 -7.918 2.700 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -1.281 -6.179 5.432 1.00 0.00 C ATOM 0 H ILE A 72 -4.602 -6.750 5.556 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.528 -6.773 2.743 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.698 -8.202 4.716 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.041 -5.528 3.547 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -3.235 -5.569 4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.000 -7.939 2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.381 -8.914 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.228 -7.217 1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.996 -5.170 5.731 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.631 -6.730 6.305 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.418 -6.688 5.003 1.00 0.00 H new ATOM 1114 N LYS A 73 -4.835 -9.740 4.203 1.00 0.00 N ATOM 1115 CA LYS A 73 -5.256 -11.118 3.984 1.00 0.00 C ATOM 1116 C LYS A 73 -6.699 -11.174 3.487 1.00 0.00 C ATOM 1117 O LYS A 73 -7.056 -12.038 2.684 1.00 0.00 O ATOM 1118 CB LYS A 73 -5.116 -11.926 5.277 1.00 0.00 C ATOM 1119 CG LYS A 73 -4.283 -13.188 5.118 1.00 0.00 C ATOM 1120 CD LYS A 73 -3.660 -13.613 6.439 1.00 0.00 C ATOM 1121 CE LYS A 73 -4.588 -14.526 7.225 1.00 0.00 C ATOM 1122 NZ LYS A 73 -4.732 -14.086 8.641 1.00 0.00 N ATOM 0 H LYS A 73 -4.549 -9.534 5.160 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.612 -11.553 3.220 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.663 -11.296 6.042 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.109 -12.199 5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.909 -13.993 4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.497 -13.017 4.382 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.717 -14.127 6.249 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.428 -12.730 7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.568 -14.544 6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.202 -15.545 7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.372 -14.734 9.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.800 -14.093 9.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.124 -13.123 8.667 1.00 0.00 H new