USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 458 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 Single : A 1 GLY N :NH3+ -127:sc= 0.11 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.198 K(o=-0.2,f=-4.3!) USER MOD Single : A 13 TYR OH : rot -131:sc= 1.23 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.0231 USER MOD Single : A 25 LYS NZ :NH3+ 164:sc= -0.023 (180deg=-0.22) USER MOD Single : A 27 THR OG1 : rot -59:sc= 1.07 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -149:sc= -0.355 (180deg=-1.48!) USER MOD Single : A 34 LYS NZ :NH3+ -133:sc= 1.97 (180deg=0.65) USER MOD Single : A 35 CYS SG : rot -49:sc= 1.23 USER MOD Single : A 36 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 43 SER OG : rot 48:sc= 0.577 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.171 USER MOD Single : A 45 ASN : amide:sc= -0.0187 K(o=-0.019,f=-0.8) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 53 SER OG : rot 106:sc= 0.231 USER MOD Single : A 54 ASN : amide:sc= -0.0817 K(o=-0.082,f=-0.91) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 9:sc= -0.594 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.406 2.090 12.082 1.00 0.00 N ATOM 2 CA GLY A 1 -15.184 2.332 11.278 1.00 0.00 C ATOM 3 C GLY A 1 -15.514 2.760 9.868 1.00 0.00 C ATOM 4 O GLY A 1 -16.680 2.965 9.539 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.357 2.641 12.963 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.243 2.381 11.538 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.476 1.078 12.311 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.579 3.101 11.759 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.582 1.424 11.250 1.00 0.00 H new ATOM 8 N SER A 2 -14.500 2.905 9.034 1.00 0.00 N ATOM 9 CA SER A 2 -14.710 3.288 7.650 1.00 0.00 C ATOM 10 C SER A 2 -13.771 2.514 6.736 1.00 0.00 C ATOM 11 O SER A 2 -12.572 2.429 6.996 1.00 0.00 O ATOM 12 CB SER A 2 -14.487 4.795 7.487 1.00 0.00 C ATOM 13 OG SER A 2 -14.717 5.218 6.149 1.00 0.00 O ATOM 0 H SER A 2 -13.523 2.763 9.291 1.00 0.00 H new ATOM 0 HA SER A 2 -15.736 3.049 7.371 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.152 5.336 8.159 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.467 5.046 7.778 1.00 0.00 H new ATOM 0 HG SER A 2 -14.567 6.184 6.081 1.00 0.00 H new ATOM 19 N LEU A 3 -14.324 1.933 5.678 1.00 0.00 N ATOM 20 CA LEU A 3 -13.515 1.283 4.657 1.00 0.00 C ATOM 21 C LEU A 3 -12.830 2.337 3.795 1.00 0.00 C ATOM 22 O LEU A 3 -13.069 3.536 3.970 1.00 0.00 O ATOM 23 CB LEU A 3 -14.365 0.348 3.784 1.00 0.00 C ATOM 24 CG LEU A 3 -14.574 -1.072 4.335 1.00 0.00 C ATOM 25 CD1 LEU A 3 -13.235 -1.752 4.567 1.00 0.00 C ATOM 26 CD2 LEU A 3 -15.392 -1.049 5.618 1.00 0.00 C ATOM 0 H LEU A 3 -15.329 1.899 5.506 1.00 0.00 H new ATOM 0 HA LEU A 3 -12.758 0.676 5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -15.342 0.808 3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.897 0.272 2.803 1.00 0.00 H new ATOM 0 HG LEU A 3 -15.132 -1.644 3.593 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -13.400 -2.756 4.957 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -12.690 -1.813 3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -12.653 -1.175 5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -15.523 -2.067 5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -14.871 -0.457 6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -16.368 -0.606 5.419 1.00 0.00 H new ATOM 38 N ASN A 4 -11.997 1.890 2.856 1.00 0.00 N ATOM 39 CA ASN A 4 -11.174 2.801 2.054 1.00 0.00 C ATOM 40 C ASN A 4 -10.216 3.552 2.966 1.00 0.00 C ATOM 41 O ASN A 4 -10.014 4.759 2.829 1.00 0.00 O ATOM 42 CB ASN A 4 -12.037 3.792 1.256 1.00 0.00 C ATOM 43 CG ASN A 4 -12.853 3.122 0.167 1.00 0.00 C ATOM 44 OD1 ASN A 4 -12.379 2.937 -0.955 1.00 0.00 O ATOM 45 ND2 ASN A 4 -14.090 2.774 0.478 1.00 0.00 N ATOM 0 H ASN A 4 -11.873 0.903 2.630 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.609 2.208 1.335 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -12.709 4.312 1.939 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -11.392 4.547 0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -14.688 2.336 -0.223 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -14.446 2.944 1.418 1.00 0.00 H new ATOM 52 N MET A 5 -9.611 2.808 3.876 1.00 0.00 N ATOM 53 CA MET A 5 -8.752 3.366 4.895 1.00 0.00 C ATOM 54 C MET A 5 -7.490 3.966 4.299 1.00 0.00 C ATOM 55 O MET A 5 -6.776 3.304 3.546 1.00 0.00 O ATOM 56 CB MET A 5 -8.387 2.278 5.896 1.00 0.00 C ATOM 57 CG MET A 5 -9.477 1.989 6.911 1.00 0.00 C ATOM 58 SD MET A 5 -9.039 0.656 8.044 1.00 0.00 S ATOM 59 CE MET A 5 -10.482 0.630 9.105 1.00 0.00 C ATOM 0 H MET A 5 -9.705 1.794 3.925 1.00 0.00 H new ATOM 0 HA MET A 5 -9.293 4.169 5.396 1.00 0.00 H new ATOM 0 HB2 MET A 5 -8.156 1.361 5.354 1.00 0.00 H new ATOM 0 HB3 MET A 5 -7.480 2.573 6.424 1.00 0.00 H new ATOM 0 HG2 MET A 5 -9.684 2.893 7.483 1.00 0.00 H new ATOM 0 HG3 MET A 5 -10.396 1.727 6.386 1.00 0.00 H new ATOM 0 HE1 MET A 5 -10.363 -0.146 9.862 1.00 0.00 H new ATOM 0 HE2 MET A 5 -10.593 1.599 9.592 1.00 0.00 H new ATOM 0 HE3 MET A 5 -11.369 0.421 8.507 1.00 0.00 H new ATOM 69 N PRO A 6 -7.195 5.225 4.633 1.00 0.00 N ATOM 70 CA PRO A 6 -5.994 5.897 4.167 1.00 0.00 C ATOM 71 C PRO A 6 -4.759 5.436 4.934 1.00 0.00 C ATOM 72 O PRO A 6 -4.789 5.308 6.158 1.00 0.00 O ATOM 73 CB PRO A 6 -6.266 7.384 4.433 1.00 0.00 C ATOM 74 CG PRO A 6 -7.634 7.470 5.035 1.00 0.00 C ATOM 75 CD PRO A 6 -8.002 6.091 5.495 1.00 0.00 C ATOM 0 HA PRO A 6 -5.790 5.682 3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.519 7.799 5.109 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -6.213 7.959 3.508 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.644 8.170 5.871 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.354 7.837 4.304 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -7.767 5.942 6.549 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.068 5.898 5.376 1.00 0.00 H new ATOM 83 N ALA A 7 -3.682 5.177 4.210 1.00 0.00 N ATOM 84 CA ALA A 7 -2.437 4.759 4.834 1.00 0.00 C ATOM 85 C ALA A 7 -1.263 5.520 4.243 1.00 0.00 C ATOM 86 O ALA A 7 -1.099 5.588 3.024 1.00 0.00 O ATOM 87 CB ALA A 7 -2.235 3.258 4.684 1.00 0.00 C ATOM 0 H ALA A 7 -3.644 5.248 3.193 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.494 4.988 5.898 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.297 2.968 5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.061 2.730 5.160 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.202 2.999 3.626 1.00 0.00 H new ATOM 93 N TYR A 8 -0.456 6.091 5.116 1.00 0.00 N ATOM 94 CA TYR A 8 0.694 6.878 4.710 1.00 0.00 C ATOM 95 C TYR A 8 1.861 5.962 4.361 1.00 0.00 C ATOM 96 O TYR A 8 2.215 5.084 5.143 1.00 0.00 O ATOM 97 CB TYR A 8 1.093 7.833 5.840 1.00 0.00 C ATOM 98 CG TYR A 8 -0.034 8.732 6.306 1.00 0.00 C ATOM 99 CD1 TYR A 8 -0.953 9.271 5.407 1.00 0.00 C ATOM 100 CD2 TYR A 8 -0.176 9.046 7.651 1.00 0.00 C ATOM 101 CE1 TYR A 8 -1.977 10.093 5.840 1.00 0.00 C ATOM 102 CE2 TYR A 8 -1.198 9.867 8.090 1.00 0.00 C ATOM 103 CZ TYR A 8 -2.095 10.386 7.182 1.00 0.00 C ATOM 104 OH TYR A 8 -3.113 11.206 7.618 1.00 0.00 O ATOM 0 H TYR A 8 -0.578 6.023 6.126 1.00 0.00 H new ATOM 0 HA TYR A 8 0.432 7.461 3.827 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.453 7.249 6.687 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.924 8.453 5.503 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -0.864 9.043 4.355 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.524 8.642 8.367 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -2.681 10.503 5.131 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.293 10.101 9.140 1.00 0.00 H new ATOM 0 HH TYR A 8 -3.055 11.311 8.591 1.00 0.00 H new ATOM 114 N VAL A 9 2.448 6.156 3.189 1.00 0.00 N ATOM 115 CA VAL A 9 3.549 5.308 2.752 1.00 0.00 C ATOM 116 C VAL A 9 4.819 5.625 3.533 1.00 0.00 C ATOM 117 O VAL A 9 5.214 6.785 3.657 1.00 0.00 O ATOM 118 CB VAL A 9 3.835 5.453 1.245 1.00 0.00 C ATOM 119 CG1 VAL A 9 5.022 4.593 0.850 1.00 0.00 C ATOM 120 CG2 VAL A 9 2.617 5.072 0.422 1.00 0.00 C ATOM 0 H VAL A 9 2.184 6.886 2.528 1.00 0.00 H new ATOM 0 HA VAL A 9 3.243 4.280 2.945 1.00 0.00 H new ATOM 0 HB VAL A 9 4.071 6.498 1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.213 4.705 -0.217 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.902 4.907 1.411 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.804 3.548 1.072 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.845 5.183 -0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.348 4.036 0.629 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.783 5.723 0.684 1.00 0.00 H new ATOM 130 N LYS A 10 5.451 4.580 4.041 1.00 0.00 N ATOM 131 CA LYS A 10 6.646 4.721 4.861 1.00 0.00 C ATOM 132 C LYS A 10 7.918 4.680 4.024 1.00 0.00 C ATOM 133 O LYS A 10 8.846 5.448 4.264 1.00 0.00 O ATOM 134 CB LYS A 10 6.692 3.621 5.925 1.00 0.00 C ATOM 135 CG LYS A 10 5.686 3.800 7.053 1.00 0.00 C ATOM 136 CD LYS A 10 6.181 4.787 8.113 1.00 0.00 C ATOM 137 CE LYS A 10 6.320 6.202 7.569 1.00 0.00 C ATOM 138 NZ LYS A 10 6.906 7.136 8.567 1.00 0.00 N ATOM 0 H LYS A 10 5.154 3.615 3.899 1.00 0.00 H new ATOM 0 HA LYS A 10 6.595 5.696 5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 10 6.514 2.659 5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 10 7.695 3.585 6.350 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.740 4.154 6.642 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.490 2.835 7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.488 4.791 8.954 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.145 4.452 8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 10 6.947 6.186 6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.340 6.569 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.981 8.086 8.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.295 7.173 9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.852 6.802 8.841 1.00 0.00 H new ATOM 152 N PHE A 11 7.965 3.781 3.051 1.00 0.00 N ATOM 153 CA PHE A 11 9.160 3.618 2.231 1.00 0.00 C ATOM 154 C PHE A 11 8.787 3.496 0.759 1.00 0.00 C ATOM 155 O PHE A 11 7.679 3.079 0.424 1.00 0.00 O ATOM 156 CB PHE A 11 9.951 2.382 2.671 1.00 0.00 C ATOM 157 CG PHE A 11 10.386 2.424 4.109 1.00 0.00 C ATOM 158 CD1 PHE A 11 11.428 3.245 4.504 1.00 0.00 C ATOM 159 CD2 PHE A 11 9.753 1.641 5.062 1.00 0.00 C ATOM 160 CE1 PHE A 11 11.829 3.287 5.825 1.00 0.00 C ATOM 161 CE2 PHE A 11 10.150 1.680 6.382 1.00 0.00 C ATOM 162 CZ PHE A 11 11.190 2.503 6.765 1.00 0.00 C ATOM 0 H PHE A 11 7.196 3.156 2.810 1.00 0.00 H new ATOM 0 HA PHE A 11 9.784 4.501 2.364 1.00 0.00 H new ATOM 0 HB2 PHE A 11 9.339 1.494 2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.832 2.280 2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 11 11.932 3.859 3.772 1.00 0.00 H new ATOM 0 HD2 PHE A 11 8.940 0.994 4.767 1.00 0.00 H new ATOM 0 HE1 PHE A 11 12.642 3.933 6.123 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.648 1.067 7.116 1.00 0.00 H new ATOM 0 HZ PHE A 11 11.503 2.534 7.798 1.00 0.00 H new ATOM 172 N ASN A 12 9.720 3.859 -0.109 1.00 0.00 N ATOM 173 CA ASN A 12 9.503 3.810 -1.551 1.00 0.00 C ATOM 174 C ASN A 12 9.465 2.356 -2.021 1.00 0.00 C ATOM 175 O ASN A 12 10.385 1.579 -1.743 1.00 0.00 O ATOM 176 CB ASN A 12 10.623 4.578 -2.267 1.00 0.00 C ATOM 177 CG ASN A 12 10.338 4.844 -3.739 1.00 0.00 C ATOM 178 OD1 ASN A 12 9.647 4.080 -4.409 1.00 0.00 O ATOM 179 ND2 ASN A 12 10.875 5.941 -4.250 1.00 0.00 N ATOM 0 H ASN A 12 10.644 4.194 0.162 1.00 0.00 H new ATOM 0 HA ASN A 12 8.548 4.277 -1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 12 10.782 5.529 -1.759 1.00 0.00 H new ATOM 0 HB3 ASN A 12 11.551 4.013 -2.182 1.00 0.00 H new ATOM 0 HD21 ASN A 12 10.720 6.175 -5.231 1.00 0.00 H new ATOM 0 HD22 ASN A 12 11.443 6.552 -3.663 1.00 0.00 H new ATOM 186 N TYR A 13 8.401 1.990 -2.721 1.00 0.00 N ATOM 187 CA TYR A 13 8.218 0.625 -3.179 1.00 0.00 C ATOM 188 C TYR A 13 7.860 0.606 -4.658 1.00 0.00 C ATOM 189 O TYR A 13 6.804 1.095 -5.058 1.00 0.00 O ATOM 190 CB TYR A 13 7.123 -0.060 -2.360 1.00 0.00 C ATOM 191 CG TYR A 13 6.958 -1.529 -2.675 1.00 0.00 C ATOM 192 CD1 TYR A 13 7.834 -2.466 -2.152 1.00 0.00 C ATOM 193 CD2 TYR A 13 5.929 -1.976 -3.493 1.00 0.00 C ATOM 194 CE1 TYR A 13 7.692 -3.810 -2.431 1.00 0.00 C ATOM 195 CE2 TYR A 13 5.779 -3.320 -3.779 1.00 0.00 C ATOM 196 CZ TYR A 13 6.665 -4.234 -3.246 1.00 0.00 C ATOM 197 OH TYR A 13 6.522 -5.579 -3.516 1.00 0.00 O ATOM 0 H TYR A 13 7.648 2.626 -2.984 1.00 0.00 H new ATOM 0 HA TYR A 13 9.153 0.081 -3.042 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.351 0.052 -1.300 1.00 0.00 H new ATOM 0 HB3 TYR A 13 6.176 0.449 -2.538 1.00 0.00 H new ATOM 0 HD1 TYR A 13 8.642 -2.139 -1.515 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.235 -1.263 -3.912 1.00 0.00 H new ATOM 0 HE1 TYR A 13 8.383 -4.527 -2.012 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.973 -3.653 -4.416 1.00 0.00 H new ATOM 0 HH TYR A 13 6.416 -5.709 -4.482 1.00 0.00 H new ATOM 207 N MET A 14 8.743 0.043 -5.466 1.00 0.00 N ATOM 208 CA MET A 14 8.518 -0.034 -6.900 1.00 0.00 C ATOM 209 C MET A 14 7.797 -1.328 -7.255 1.00 0.00 C ATOM 210 O MET A 14 8.277 -2.419 -6.952 1.00 0.00 O ATOM 211 CB MET A 14 9.847 0.062 -7.663 1.00 0.00 C ATOM 212 CG MET A 14 10.570 1.390 -7.471 1.00 0.00 C ATOM 213 SD MET A 14 12.121 1.486 -8.390 1.00 0.00 S ATOM 214 CE MET A 14 12.645 3.152 -7.988 1.00 0.00 C ATOM 0 H MET A 14 9.623 -0.368 -5.153 1.00 0.00 H new ATOM 0 HA MET A 14 7.891 0.808 -7.194 1.00 0.00 H new ATOM 0 HB2 MET A 14 10.501 -0.748 -7.339 1.00 0.00 H new ATOM 0 HB3 MET A 14 9.657 -0.088 -8.726 1.00 0.00 H new ATOM 0 HG2 MET A 14 9.916 2.203 -7.787 1.00 0.00 H new ATOM 0 HG3 MET A 14 10.773 1.537 -6.410 1.00 0.00 H new ATOM 0 HE1 MET A 14 13.593 3.365 -8.482 1.00 0.00 H new ATOM 0 HE2 MET A 14 11.891 3.862 -8.328 1.00 0.00 H new ATOM 0 HE3 MET A 14 12.770 3.244 -6.909 1.00 0.00 H new ATOM 224 N ALA A 15 6.641 -1.197 -7.890 1.00 0.00 N ATOM 225 CA ALA A 15 5.847 -2.351 -8.278 1.00 0.00 C ATOM 226 C ALA A 15 6.189 -2.782 -9.697 1.00 0.00 C ATOM 227 O ALA A 15 6.120 -1.978 -10.631 1.00 0.00 O ATOM 228 CB ALA A 15 4.365 -2.031 -8.164 1.00 0.00 C ATOM 0 H ALA A 15 6.232 -0.299 -8.148 1.00 0.00 H new ATOM 0 HA ALA A 15 6.080 -3.175 -7.603 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.781 -2.903 -8.457 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.128 -1.766 -7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.122 -1.194 -8.819 1.00 0.00 H new ATOM 234 N GLU A 16 6.563 -4.039 -9.862 1.00 0.00 N ATOM 235 CA GLU A 16 6.917 -4.553 -11.177 1.00 0.00 C ATOM 236 C GLU A 16 5.849 -5.509 -11.687 1.00 0.00 C ATOM 237 O GLU A 16 5.498 -5.493 -12.867 1.00 0.00 O ATOM 238 CB GLU A 16 8.263 -5.271 -11.130 1.00 0.00 C ATOM 239 CG GLU A 16 9.402 -4.400 -10.634 1.00 0.00 C ATOM 240 CD GLU A 16 10.750 -5.046 -10.851 1.00 0.00 C ATOM 241 OE1 GLU A 16 11.191 -5.829 -9.985 1.00 0.00 O ATOM 242 OE2 GLU A 16 11.376 -4.778 -11.896 1.00 0.00 O ATOM 0 H GLU A 16 6.630 -4.721 -9.107 1.00 0.00 H new ATOM 0 HA GLU A 16 6.989 -3.705 -11.858 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.177 -6.144 -10.483 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.505 -5.636 -12.128 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.374 -3.440 -11.149 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.265 -4.196 -9.572 1.00 0.00 H new ATOM 249 N ARG A 17 5.332 -6.326 -10.784 1.00 0.00 N ATOM 250 CA ARG A 17 4.350 -7.345 -11.127 1.00 0.00 C ATOM 251 C ARG A 17 2.967 -6.731 -11.301 1.00 0.00 C ATOM 252 O ARG A 17 2.705 -5.620 -10.832 1.00 0.00 O ATOM 253 CB ARG A 17 4.325 -8.419 -10.041 1.00 0.00 C ATOM 254 CG ARG A 17 5.667 -9.108 -9.860 1.00 0.00 C ATOM 255 CD ARG A 17 5.851 -9.616 -8.439 1.00 0.00 C ATOM 256 NE ARG A 17 7.180 -10.188 -8.231 1.00 0.00 N ATOM 257 CZ ARG A 17 8.266 -9.470 -7.924 1.00 0.00 C ATOM 258 NH1 ARG A 17 8.194 -8.146 -7.823 1.00 0.00 N ATOM 259 NH2 ARG A 17 9.433 -10.077 -7.726 1.00 0.00 N ATOM 0 H ARG A 17 5.579 -6.303 -9.795 1.00 0.00 H new ATOM 0 HA ARG A 17 4.635 -7.801 -12.075 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.024 -7.966 -9.096 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.570 -9.165 -10.292 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.745 -9.942 -10.558 1.00 0.00 H new ATOM 0 HG3 ARG A 17 6.469 -8.412 -10.104 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.695 -8.796 -7.738 1.00 0.00 H new ATOM 0 HD3 ARG A 17 5.094 -10.369 -8.222 1.00 0.00 H new ATOM 0 HE ARG A 17 7.286 -11.198 -8.326 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.306 -7.670 -7.980 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.027 -7.606 -7.588 1.00 0.00 H new ATOM 0 HH21 ARG A 17 9.501 -11.091 -7.808 1.00 0.00 H new ATOM 0 HH22 ARG A 17 10.260 -9.528 -7.492 1.00 0.00 H new ATOM 273 N GLU A 18 2.089 -7.464 -11.971 1.00 0.00 N ATOM 274 CA GLU A 18 0.739 -6.991 -12.255 1.00 0.00 C ATOM 275 C GLU A 18 -0.071 -6.826 -10.973 1.00 0.00 C ATOM 276 O GLU A 18 -0.891 -5.918 -10.856 1.00 0.00 O ATOM 277 CB GLU A 18 0.034 -7.977 -13.190 1.00 0.00 C ATOM 278 CG GLU A 18 -1.367 -7.553 -13.593 1.00 0.00 C ATOM 279 CD GLU A 18 -2.059 -8.594 -14.443 1.00 0.00 C ATOM 280 OE1 GLU A 18 -1.850 -8.600 -15.672 1.00 0.00 O ATOM 281 OE2 GLU A 18 -2.816 -9.417 -13.884 1.00 0.00 O ATOM 0 H GLU A 18 2.289 -8.397 -12.331 1.00 0.00 H new ATOM 0 HA GLU A 18 0.814 -6.016 -12.736 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.637 -8.103 -14.089 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.018 -8.950 -12.702 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.959 -7.366 -12.697 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.316 -6.613 -14.143 1.00 0.00 H new ATOM 288 N ASP A 19 0.181 -7.700 -10.010 1.00 0.00 N ATOM 289 CA ASP A 19 -0.559 -7.693 -8.752 1.00 0.00 C ATOM 290 C ASP A 19 0.140 -6.845 -7.694 1.00 0.00 C ATOM 291 O ASP A 19 -0.240 -6.858 -6.525 1.00 0.00 O ATOM 292 CB ASP A 19 -0.761 -9.126 -8.244 1.00 0.00 C ATOM 293 CG ASP A 19 0.523 -9.930 -8.220 1.00 0.00 C ATOM 294 OD1 ASP A 19 0.948 -10.399 -9.298 1.00 0.00 O ATOM 295 OD2 ASP A 19 1.103 -10.120 -7.133 1.00 0.00 O ATOM 0 H ASP A 19 0.894 -8.426 -10.074 1.00 0.00 H new ATOM 0 HA ASP A 19 -1.534 -7.245 -8.943 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.182 -9.094 -7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.489 -9.632 -8.879 1.00 0.00 H new ATOM 300 N GLU A 20 1.150 -6.092 -8.103 1.00 0.00 N ATOM 301 CA GLU A 20 1.852 -5.209 -7.183 1.00 0.00 C ATOM 302 C GLU A 20 1.303 -3.790 -7.250 1.00 0.00 C ATOM 303 O GLU A 20 0.790 -3.354 -8.282 1.00 0.00 O ATOM 304 CB GLU A 20 3.347 -5.183 -7.473 1.00 0.00 C ATOM 305 CG GLU A 20 4.105 -6.375 -6.931 1.00 0.00 C ATOM 306 CD GLU A 20 5.602 -6.215 -7.102 1.00 0.00 C ATOM 307 OE1 GLU A 20 6.099 -6.386 -8.234 1.00 0.00 O ATOM 308 OE2 GLU A 20 6.286 -5.906 -6.111 1.00 0.00 O ATOM 0 H GLU A 20 1.501 -6.074 -9.061 1.00 0.00 H new ATOM 0 HA GLU A 20 1.691 -5.605 -6.180 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.496 -5.132 -8.552 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.772 -4.273 -7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.872 -6.504 -5.874 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.775 -7.279 -7.443 1.00 0.00 H new ATOM 315 N LEU A 21 1.427 -3.074 -6.145 1.00 0.00 N ATOM 316 CA LEU A 21 1.000 -1.687 -6.069 1.00 0.00 C ATOM 317 C LEU A 21 2.173 -0.824 -5.600 1.00 0.00 C ATOM 318 O LEU A 21 2.750 -1.067 -4.540 1.00 0.00 O ATOM 319 CB LEU A 21 -0.205 -1.580 -5.121 1.00 0.00 C ATOM 320 CG LEU A 21 -0.923 -0.221 -5.055 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.330 0.654 -3.970 1.00 0.00 C ATOM 322 CD2 LEU A 21 -0.858 0.498 -6.391 1.00 0.00 C ATOM 0 H LEU A 21 1.825 -3.436 -5.278 1.00 0.00 H new ATOM 0 HA LEU A 21 0.689 -1.326 -7.049 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.935 -2.335 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.131 -1.835 -4.116 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.968 -0.416 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.856 1.609 -3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.433 0.157 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.726 0.827 -4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.374 1.455 -6.314 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.184 0.668 -6.663 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.338 -0.112 -7.156 1.00 0.00 H new ATOM 334 N SER A 22 2.534 0.164 -6.410 1.00 0.00 N ATOM 335 CA SER A 22 3.697 1.000 -6.140 1.00 0.00 C ATOM 336 C SER A 22 3.418 2.007 -5.029 1.00 0.00 C ATOM 337 O SER A 22 2.352 2.626 -4.992 1.00 0.00 O ATOM 338 CB SER A 22 4.103 1.728 -7.421 1.00 0.00 C ATOM 339 OG SER A 22 2.983 2.359 -8.010 1.00 0.00 O ATOM 0 H SER A 22 2.034 0.407 -7.265 1.00 0.00 H new ATOM 0 HA SER A 22 4.512 0.359 -5.804 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.869 2.470 -7.197 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.541 1.020 -8.125 1.00 0.00 H new ATOM 0 HG SER A 22 3.261 2.822 -8.828 1.00 0.00 H new ATOM 345 N LEU A 23 4.387 2.177 -4.137 1.00 0.00 N ATOM 346 CA LEU A 23 4.250 3.101 -3.019 1.00 0.00 C ATOM 347 C LEU A 23 5.345 4.159 -3.066 1.00 0.00 C ATOM 348 O LEU A 23 6.478 3.872 -3.450 1.00 0.00 O ATOM 349 CB LEU A 23 4.329 2.356 -1.687 1.00 0.00 C ATOM 350 CG LEU A 23 3.317 1.228 -1.497 1.00 0.00 C ATOM 351 CD1 LEU A 23 3.422 0.658 -0.095 1.00 0.00 C ATOM 352 CD2 LEU A 23 1.902 1.719 -1.760 1.00 0.00 C ATOM 0 H LEU A 23 5.280 1.684 -4.167 1.00 0.00 H new ATOM 0 HA LEU A 23 3.276 3.582 -3.102 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.332 1.941 -1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.197 3.077 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 23 3.545 0.441 -2.216 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.695 -0.145 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.426 0.265 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.220 1.444 0.633 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.200 0.898 -1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.662 2.525 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.829 2.087 -2.784 1.00 0.00 H new ATOM 364 N ILE A 24 5.009 5.374 -2.670 1.00 0.00 N ATOM 365 CA ILE A 24 5.968 6.462 -2.635 1.00 0.00 C ATOM 366 C ILE A 24 6.061 7.020 -1.231 1.00 0.00 C ATOM 367 O ILE A 24 5.066 7.493 -0.681 1.00 0.00 O ATOM 368 CB ILE A 24 5.574 7.605 -3.590 1.00 0.00 C ATOM 369 CG1 ILE A 24 5.572 7.120 -5.043 1.00 0.00 C ATOM 370 CG2 ILE A 24 6.506 8.799 -3.406 1.00 0.00 C ATOM 371 CD1 ILE A 24 6.926 6.653 -5.537 1.00 0.00 C ATOM 0 H ILE A 24 4.070 5.632 -2.366 1.00 0.00 H new ATOM 0 HA ILE A 24 6.929 6.057 -2.953 1.00 0.00 H new ATOM 0 HB ILE A 24 4.562 7.928 -3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.858 6.302 -5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.221 7.928 -5.685 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.214 9.597 -4.088 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.440 9.157 -2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.531 8.497 -3.620 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.842 6.325 -6.573 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.640 7.474 -5.473 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.272 5.823 -4.921 1.00 0.00 H new ATOM 383 N LYS A 25 7.242 6.943 -0.644 1.00 0.00 N ATOM 384 CA LYS A 25 7.466 7.516 0.673 1.00 0.00 C ATOM 385 C LYS A 25 7.047 8.983 0.665 1.00 0.00 C ATOM 386 O LYS A 25 7.566 9.779 -0.121 1.00 0.00 O ATOM 387 CB LYS A 25 8.941 7.398 1.062 1.00 0.00 C ATOM 388 CG LYS A 25 9.245 7.927 2.455 1.00 0.00 C ATOM 389 CD LYS A 25 10.736 7.958 2.714 1.00 0.00 C ATOM 390 CE LYS A 25 11.376 9.109 1.964 1.00 0.00 C ATOM 391 NZ LYS A 25 11.049 10.420 2.585 1.00 0.00 N ATOM 0 H LYS A 25 8.059 6.491 -1.056 1.00 0.00 H new ATOM 0 HA LYS A 25 6.870 6.970 1.404 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.241 6.352 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.545 7.942 0.336 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.833 8.930 2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.757 7.299 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.924 8.062 3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.186 7.016 2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.458 8.975 1.946 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.036 9.102 0.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.703 11.146 2.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.073 10.685 2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.143 10.348 3.618 1.00 0.00 H new ATOM 405 N GLY A 26 6.106 9.334 1.527 1.00 0.00 N ATOM 406 CA GLY A 26 5.605 10.690 1.550 1.00 0.00 C ATOM 407 C GLY A 26 4.152 10.784 1.128 1.00 0.00 C ATOM 408 O GLY A 26 3.475 11.762 1.439 1.00 0.00 O ATOM 0 H GLY A 26 5.682 8.706 2.209 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.714 11.096 2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.212 11.309 0.889 1.00 0.00 H new ATOM 412 N THR A 27 3.664 9.766 0.428 1.00 0.00 N ATOM 413 CA THR A 27 2.303 9.794 -0.093 1.00 0.00 C ATOM 414 C THR A 27 1.346 8.965 0.764 1.00 0.00 C ATOM 415 O THR A 27 1.719 8.464 1.829 1.00 0.00 O ATOM 416 CB THR A 27 2.241 9.289 -1.550 1.00 0.00 C ATOM 417 OG1 THR A 27 2.707 7.935 -1.627 1.00 0.00 O ATOM 418 CG2 THR A 27 3.081 10.164 -2.468 1.00 0.00 C ATOM 0 H THR A 27 4.186 8.917 0.210 1.00 0.00 H new ATOM 0 HA THR A 27 1.989 10.837 -0.062 1.00 0.00 H new ATOM 0 HB THR A 27 1.202 9.336 -1.875 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.631 7.888 -1.303 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.019 9.785 -3.488 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.707 11.187 -2.437 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.119 10.147 -2.137 1.00 0.00 H new ATOM 426 N LYS A 28 0.113 8.838 0.290 1.00 0.00 N ATOM 427 CA LYS A 28 -0.930 8.125 1.007 1.00 0.00 C ATOM 428 C LYS A 28 -1.712 7.225 0.052 1.00 0.00 C ATOM 429 O LYS A 28 -2.059 7.642 -1.053 1.00 0.00 O ATOM 430 CB LYS A 28 -1.868 9.143 1.658 1.00 0.00 C ATOM 431 CG LYS A 28 -3.050 8.538 2.388 1.00 0.00 C ATOM 432 CD LYS A 28 -4.247 9.477 2.360 1.00 0.00 C ATOM 433 CE LYS A 28 -4.801 9.630 0.949 1.00 0.00 C ATOM 434 NZ LYS A 28 -5.984 10.534 0.900 1.00 0.00 N ATOM 0 H LYS A 28 -0.190 9.227 -0.603 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.479 7.497 1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.295 9.747 2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.241 9.818 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.318 7.587 1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.774 8.325 3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.027 9.095 3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.954 10.454 2.745 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.021 10.021 0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.080 8.650 0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.325 10.607 -0.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.740 10.150 1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.714 11.478 1.243 1.00 0.00 H new ATOM 448 N VAL A 29 -1.986 5.994 0.476 1.00 0.00 N ATOM 449 CA VAL A 29 -2.735 5.062 -0.355 1.00 0.00 C ATOM 450 C VAL A 29 -4.093 4.751 0.270 1.00 0.00 C ATOM 451 O VAL A 29 -4.326 5.047 1.445 1.00 0.00 O ATOM 452 CB VAL A 29 -1.961 3.743 -0.598 1.00 0.00 C ATOM 453 CG1 VAL A 29 -0.543 4.047 -1.055 1.00 0.00 C ATOM 454 CG2 VAL A 29 -1.954 2.856 0.645 1.00 0.00 C ATOM 0 H VAL A 29 -1.702 5.623 1.383 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.881 5.549 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.474 3.190 -1.385 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.007 3.113 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.574 4.619 -1.982 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.030 4.627 -0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.402 1.940 0.435 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.477 3.387 1.468 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.979 2.607 0.920 1.00 0.00 H new ATOM 464 N ILE A 30 -4.983 4.168 -0.520 1.00 0.00 N ATOM 465 CA ILE A 30 -6.318 3.817 -0.052 1.00 0.00 C ATOM 466 C ILE A 30 -6.455 2.304 0.096 1.00 0.00 C ATOM 467 O ILE A 30 -6.529 1.583 -0.899 1.00 0.00 O ATOM 468 CB ILE A 30 -7.399 4.325 -1.031 1.00 0.00 C ATOM 469 CG1 ILE A 30 -7.286 5.839 -1.210 1.00 0.00 C ATOM 470 CG2 ILE A 30 -8.792 3.942 -0.550 1.00 0.00 C ATOM 471 CD1 ILE A 30 -7.558 6.625 0.054 1.00 0.00 C ATOM 0 H ILE A 30 -4.804 3.926 -1.495 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.461 4.293 0.918 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.235 3.849 -1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.285 6.079 -1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.986 6.157 -1.983 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.535 4.311 -1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.867 2.857 -0.479 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.973 4.383 0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.459 7.691 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.569 6.415 0.402 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -6.842 6.336 0.823 1.00 0.00 H new ATOM 483 N VAL A 31 -6.484 1.826 1.330 1.00 0.00 N ATOM 484 CA VAL A 31 -6.592 0.394 1.591 1.00 0.00 C ATOM 485 C VAL A 31 -8.057 -0.032 1.667 1.00 0.00 C ATOM 486 O VAL A 31 -8.812 0.446 2.517 1.00 0.00 O ATOM 487 CB VAL A 31 -5.892 -0.012 2.904 1.00 0.00 C ATOM 488 CG1 VAL A 31 -5.828 -1.527 3.014 1.00 0.00 C ATOM 489 CG2 VAL A 31 -4.497 0.585 3.002 1.00 0.00 C ATOM 0 H VAL A 31 -6.434 2.406 2.168 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.097 -0.110 0.761 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.479 0.383 3.733 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.332 -1.804 3.944 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.839 -1.935 3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.267 -1.930 2.170 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.035 0.277 3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.891 0.234 2.167 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.564 1.672 2.970 1.00 0.00 H new ATOM 499 N MET A 32 -8.455 -0.933 0.782 1.00 0.00 N ATOM 500 CA MET A 32 -9.829 -1.407 0.743 1.00 0.00 C ATOM 501 C MET A 32 -9.931 -2.850 1.229 1.00 0.00 C ATOM 502 O MET A 32 -11.023 -3.346 1.516 1.00 0.00 O ATOM 503 CB MET A 32 -10.367 -1.293 -0.679 1.00 0.00 C ATOM 504 CG MET A 32 -10.693 0.132 -1.096 1.00 0.00 C ATOM 505 SD MET A 32 -10.812 0.307 -2.884 1.00 0.00 S ATOM 506 CE MET A 32 -9.131 -0.102 -3.345 1.00 0.00 C ATOM 0 H MET A 32 -7.844 -1.351 0.080 1.00 0.00 H new ATOM 0 HA MET A 32 -10.427 -0.787 1.411 1.00 0.00 H new ATOM 0 HB2 MET A 32 -9.632 -1.705 -1.370 1.00 0.00 H new ATOM 0 HB3 MET A 32 -11.266 -1.903 -0.768 1.00 0.00 H new ATOM 0 HG2 MET A 32 -11.635 0.436 -0.639 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.924 0.805 -0.717 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.857 0.447 -4.246 1.00 0.00 H new ATOM 0 HE2 MET A 32 -8.455 0.170 -2.535 1.00 0.00 H new ATOM 0 HE3 MET A 32 -9.056 -1.173 -3.536 1.00 0.00 H new ATOM 516 N GLU A 33 -8.791 -3.518 1.321 1.00 0.00 N ATOM 517 CA GLU A 33 -8.758 -4.909 1.741 1.00 0.00 C ATOM 518 C GLU A 33 -7.457 -5.196 2.478 1.00 0.00 C ATOM 519 O GLU A 33 -6.381 -4.810 2.022 1.00 0.00 O ATOM 520 CB GLU A 33 -8.895 -5.821 0.524 1.00 0.00 C ATOM 521 CG GLU A 33 -9.020 -7.290 0.864 1.00 0.00 C ATOM 522 CD GLU A 33 -9.208 -8.137 -0.372 1.00 0.00 C ATOM 523 OE1 GLU A 33 -10.367 -8.334 -0.791 1.00 0.00 O ATOM 524 OE2 GLU A 33 -8.205 -8.595 -0.947 1.00 0.00 O ATOM 0 H GLU A 33 -7.877 -3.118 1.110 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.591 -5.101 2.417 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.771 -5.516 -0.049 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.028 -5.681 -0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.127 -7.617 1.397 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.865 -7.437 1.537 1.00 0.00 H new ATOM 531 N LYS A 34 -7.560 -5.861 3.623 1.00 0.00 N ATOM 532 CA LYS A 34 -6.391 -6.150 4.442 1.00 0.00 C ATOM 533 C LYS A 34 -6.298 -7.638 4.757 1.00 0.00 C ATOM 534 O LYS A 34 -7.250 -8.236 5.260 1.00 0.00 O ATOM 535 CB LYS A 34 -6.434 -5.352 5.750 1.00 0.00 C ATOM 536 CG LYS A 34 -6.399 -3.848 5.554 1.00 0.00 C ATOM 537 CD LYS A 34 -6.367 -3.114 6.887 1.00 0.00 C ATOM 538 CE LYS A 34 -6.244 -1.619 6.689 1.00 0.00 C ATOM 539 NZ LYS A 34 -6.447 -0.870 7.957 1.00 0.00 N ATOM 0 H LYS A 34 -8.440 -6.209 4.004 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.510 -5.855 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -7.340 -5.616 6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.589 -5.647 6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -5.522 -3.577 4.967 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.274 -3.533 4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.275 -3.335 7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.528 -3.474 7.483 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.259 -1.387 6.285 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -6.977 -1.290 5.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.102 -0.079 7.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.847 -1.506 8.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.534 -0.500 8.292 1.00 0.00 H new ATOM 553 N CYS A 35 -5.155 -8.227 4.444 1.00 0.00 N ATOM 554 CA CYS A 35 -4.876 -9.601 4.821 1.00 0.00 C ATOM 555 C CYS A 35 -4.069 -9.580 6.113 1.00 0.00 C ATOM 556 O CYS A 35 -2.908 -9.169 6.121 1.00 0.00 O ATOM 557 CB CYS A 35 -4.106 -10.317 3.704 1.00 0.00 C ATOM 558 SG CYS A 35 -4.191 -12.123 3.758 1.00 0.00 S ATOM 0 H CYS A 35 -4.403 -7.771 3.927 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.806 -10.148 4.976 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -4.491 -9.978 2.742 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -3.060 -10.015 3.753 1.00 0.00 H new ATOM 0 HG CYS A 35 -3.907 -12.535 4.958 1.00 0.00 H new ATOM 564 N SER A 36 -4.690 -10.023 7.200 1.00 0.00 N ATOM 565 CA SER A 36 -4.139 -9.853 8.546 1.00 0.00 C ATOM 566 C SER A 36 -2.863 -10.667 8.788 1.00 0.00 C ATOM 567 O SER A 36 -2.292 -10.625 9.878 1.00 0.00 O ATOM 568 CB SER A 36 -5.204 -10.225 9.580 1.00 0.00 C ATOM 569 OG SER A 36 -5.881 -11.420 9.220 1.00 0.00 O ATOM 0 H SER A 36 -5.587 -10.509 7.177 1.00 0.00 H new ATOM 0 HA SER A 36 -3.857 -8.805 8.647 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.737 -10.350 10.557 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.923 -9.411 9.672 1.00 0.00 H new ATOM 0 HG SER A 36 -6.554 -11.633 9.900 1.00 0.00 H new ATOM 575 N ASP A 37 -2.416 -11.390 7.777 1.00 0.00 N ATOM 576 CA ASP A 37 -1.248 -12.240 7.914 1.00 0.00 C ATOM 577 C ASP A 37 -0.241 -11.988 6.796 1.00 0.00 C ATOM 578 O ASP A 37 0.743 -12.716 6.671 1.00 0.00 O ATOM 579 CB ASP A 37 -1.668 -13.712 7.899 1.00 0.00 C ATOM 580 CG ASP A 37 -2.235 -14.132 6.558 1.00 0.00 C ATOM 581 OD1 ASP A 37 -3.256 -13.554 6.129 1.00 0.00 O ATOM 582 OD2 ASP A 37 -1.659 -15.039 5.918 1.00 0.00 O ATOM 0 H ASP A 37 -2.845 -11.405 6.852 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.772 -12.001 8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.807 -14.336 8.139 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.413 -13.883 8.676 1.00 0.00 H new ATOM 587 N GLY A 38 -0.467 -10.957 5.987 1.00 0.00 N ATOM 588 CA GLY A 38 0.423 -10.721 4.866 1.00 0.00 C ATOM 589 C GLY A 38 0.268 -9.352 4.228 1.00 0.00 C ATOM 590 O GLY A 38 0.471 -8.326 4.876 1.00 0.00 O ATOM 0 H GLY A 38 -1.235 -10.293 6.084 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.453 -10.838 5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.246 -11.485 4.109 1.00 0.00 H new ATOM 594 N TRP A 39 -0.099 -9.349 2.952 1.00 0.00 N ATOM 595 CA TRP A 39 -0.124 -8.131 2.147 1.00 0.00 C ATOM 596 C TRP A 39 -1.452 -7.397 2.285 1.00 0.00 C ATOM 597 O TRP A 39 -2.459 -7.976 2.694 1.00 0.00 O ATOM 598 CB TRP A 39 0.114 -8.474 0.672 1.00 0.00 C ATOM 599 CG TRP A 39 1.479 -9.029 0.381 1.00 0.00 C ATOM 600 CD1 TRP A 39 2.071 -10.111 0.964 1.00 0.00 C ATOM 601 CD2 TRP A 39 2.413 -8.537 -0.588 1.00 0.00 C ATOM 602 NE1 TRP A 39 3.319 -10.312 0.433 1.00 0.00 N ATOM 603 CE2 TRP A 39 3.554 -9.360 -0.524 1.00 0.00 C ATOM 604 CE3 TRP A 39 2.400 -7.476 -1.495 1.00 0.00 C ATOM 605 CZ2 TRP A 39 4.667 -9.156 -1.335 1.00 0.00 C ATOM 606 CZ3 TRP A 39 3.503 -7.276 -2.303 1.00 0.00 C ATOM 607 CH2 TRP A 39 4.625 -8.112 -2.218 1.00 0.00 C ATOM 0 H TRP A 39 -0.387 -10.187 2.447 1.00 0.00 H new ATOM 0 HA TRP A 39 0.669 -7.478 2.510 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -0.636 -9.198 0.354 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -0.036 -7.576 0.073 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.621 -10.721 1.733 1.00 0.00 H new ATOM 0 HE1 TRP A 39 3.967 -11.051 0.706 1.00 0.00 H new ATOM 0 HE3 TRP A 39 1.543 -6.823 -1.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 5.532 -9.799 -1.269 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.501 -6.462 -3.012 1.00 0.00 H new ATOM 0 HH2 TRP A 39 5.472 -7.928 -2.862 1.00 0.00 H new ATOM 618 N TRP A 40 -1.445 -6.121 1.936 1.00 0.00 N ATOM 619 CA TRP A 40 -2.662 -5.326 1.916 1.00 0.00 C ATOM 620 C TRP A 40 -2.990 -4.912 0.492 1.00 0.00 C ATOM 621 O TRP A 40 -2.090 -4.638 -0.303 1.00 0.00 O ATOM 622 CB TRP A 40 -2.519 -4.085 2.798 1.00 0.00 C ATOM 623 CG TRP A 40 -2.698 -4.356 4.259 1.00 0.00 C ATOM 624 CD1 TRP A 40 -3.023 -5.546 4.841 1.00 0.00 C ATOM 625 CD2 TRP A 40 -2.579 -3.410 5.324 1.00 0.00 C ATOM 626 NE1 TRP A 40 -3.113 -5.397 6.200 1.00 0.00 N ATOM 627 CE2 TRP A 40 -2.844 -4.099 6.521 1.00 0.00 C ATOM 628 CE3 TRP A 40 -2.276 -2.048 5.384 1.00 0.00 C ATOM 629 CZ2 TRP A 40 -2.817 -3.476 7.761 1.00 0.00 C ATOM 630 CZ3 TRP A 40 -2.247 -1.429 6.620 1.00 0.00 C ATOM 631 CH2 TRP A 40 -2.517 -2.146 7.792 1.00 0.00 C ATOM 0 H TRP A 40 -0.605 -5.611 1.661 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.474 -5.937 2.310 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -1.533 -3.649 2.637 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -3.252 -3.342 2.484 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -3.186 -6.471 4.308 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.344 -6.136 6.864 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.069 -1.490 4.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.026 -4.024 8.668 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.013 -0.377 6.682 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.487 -1.634 8.742 1.00 0.00 H new ATOM 642 N ARG A 41 -4.271 -4.881 0.164 1.00 0.00 N ATOM 643 CA ARG A 41 -4.696 -4.462 -1.159 1.00 0.00 C ATOM 644 C ARG A 41 -5.255 -3.049 -1.114 1.00 0.00 C ATOM 645 O ARG A 41 -6.319 -2.792 -0.537 1.00 0.00 O ATOM 646 CB ARG A 41 -5.716 -5.437 -1.752 1.00 0.00 C ATOM 647 CG ARG A 41 -6.262 -4.992 -3.102 1.00 0.00 C ATOM 648 CD ARG A 41 -6.610 -6.171 -4.000 1.00 0.00 C ATOM 649 NE ARG A 41 -7.605 -7.062 -3.408 1.00 0.00 N ATOM 650 CZ ARG A 41 -8.506 -7.734 -4.121 1.00 0.00 C ATOM 651 NH1 ARG A 41 -8.583 -7.568 -5.434 1.00 0.00 N ATOM 652 NH2 ARG A 41 -9.341 -8.565 -3.519 1.00 0.00 N ATOM 0 H ARG A 41 -5.031 -5.140 0.793 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.823 -4.466 -1.811 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.251 -6.417 -1.861 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.545 -5.554 -1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.151 -4.380 -2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.524 -4.363 -3.601 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.985 -5.797 -4.953 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -5.704 -6.738 -4.215 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.609 -7.175 -2.394 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.949 -6.922 -5.904 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.276 -8.086 -5.974 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.295 -8.691 -2.508 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.031 -9.080 -4.066 1.00 0.00 H new ATOM 666 N GLY A 42 -4.522 -2.137 -1.719 1.00 0.00 N ATOM 667 CA GLY A 42 -4.921 -0.756 -1.732 1.00 0.00 C ATOM 668 C GLY A 42 -4.662 -0.106 -3.071 1.00 0.00 C ATOM 669 O GLY A 42 -4.005 -0.691 -3.932 1.00 0.00 O ATOM 0 H GLY A 42 -3.648 -2.333 -2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.982 -0.683 -1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.380 -0.215 -0.955 1.00 0.00 H new ATOM 673 N SER A 43 -5.181 1.090 -3.254 1.00 0.00 N ATOM 674 CA SER A 43 -5.004 1.807 -4.499 1.00 0.00 C ATOM 675 C SER A 43 -4.200 3.081 -4.286 1.00 0.00 C ATOM 676 O SER A 43 -4.444 3.842 -3.345 1.00 0.00 O ATOM 677 CB SER A 43 -6.362 2.113 -5.137 1.00 0.00 C ATOM 678 OG SER A 43 -6.267 3.126 -6.124 1.00 0.00 O ATOM 0 H SER A 43 -5.731 1.587 -2.554 1.00 0.00 H new ATOM 0 HA SER A 43 -4.441 1.172 -5.183 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.765 1.205 -5.586 1.00 0.00 H new ATOM 0 HB3 SER A 43 -7.064 2.424 -4.364 1.00 0.00 H new ATOM 0 HG SER A 43 -5.518 2.929 -6.724 1.00 0.00 H new ATOM 684 N TYR A 44 -3.224 3.288 -5.155 1.00 0.00 N ATOM 685 CA TYR A 44 -2.409 4.485 -5.130 1.00 0.00 C ATOM 686 C TYR A 44 -2.590 5.249 -6.433 1.00 0.00 C ATOM 687 O TYR A 44 -2.287 4.733 -7.512 1.00 0.00 O ATOM 688 CB TYR A 44 -0.935 4.124 -4.917 1.00 0.00 C ATOM 689 CG TYR A 44 0.011 5.295 -5.071 1.00 0.00 C ATOM 690 CD1 TYR A 44 0.091 6.280 -4.098 1.00 0.00 C ATOM 691 CD2 TYR A 44 0.816 5.417 -6.197 1.00 0.00 C ATOM 692 CE1 TYR A 44 0.947 7.355 -4.241 1.00 0.00 C ATOM 693 CE2 TYR A 44 1.674 6.487 -6.347 1.00 0.00 C ATOM 694 CZ TYR A 44 1.737 7.454 -5.369 1.00 0.00 C ATOM 695 OH TYR A 44 2.590 8.524 -5.519 1.00 0.00 O ATOM 0 H TYR A 44 -2.977 2.631 -5.895 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.725 5.117 -4.300 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.815 3.701 -3.920 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.655 3.347 -5.628 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.526 6.206 -3.214 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.769 4.662 -6.968 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.998 8.114 -3.474 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.294 6.566 -7.228 1.00 0.00 H new ATOM 0 HH TYR A 44 3.074 8.440 -6.367 1.00 0.00 H new ATOM 705 N ASN A 45 -3.119 6.460 -6.319 1.00 0.00 N ATOM 706 CA ASN A 45 -3.341 7.346 -7.462 1.00 0.00 C ATOM 707 C ASN A 45 -4.366 6.768 -8.437 1.00 0.00 C ATOM 708 O ASN A 45 -5.570 6.981 -8.287 1.00 0.00 O ATOM 709 CB ASN A 45 -2.019 7.669 -8.185 1.00 0.00 C ATOM 710 CG ASN A 45 -2.193 8.711 -9.274 1.00 0.00 C ATOM 711 OD1 ASN A 45 -3.080 9.559 -9.199 1.00 0.00 O ATOM 712 ND2 ASN A 45 -1.341 8.666 -10.283 1.00 0.00 N ATOM 0 H ASN A 45 -3.409 6.861 -5.427 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.749 8.278 -7.070 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.289 8.026 -7.459 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.615 6.756 -8.621 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.406 9.351 -11.036 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.619 7.946 -10.309 1.00 0.00 H new ATOM 719 N GLY A 46 -3.886 6.021 -9.412 1.00 0.00 N ATOM 720 CA GLY A 46 -4.753 5.529 -10.467 1.00 0.00 C ATOM 721 C GLY A 46 -4.703 4.022 -10.639 1.00 0.00 C ATOM 722 O GLY A 46 -5.287 3.487 -11.581 1.00 0.00 O ATOM 0 H GLY A 46 -2.908 5.743 -9.497 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.779 5.828 -10.252 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.473 6.003 -11.407 1.00 0.00 H new ATOM 726 N GLN A 47 -4.017 3.332 -9.741 1.00 0.00 N ATOM 727 CA GLN A 47 -3.933 1.878 -9.818 1.00 0.00 C ATOM 728 C GLN A 47 -4.176 1.251 -8.447 1.00 0.00 C ATOM 729 O GLN A 47 -3.974 1.893 -7.417 1.00 0.00 O ATOM 730 CB GLN A 47 -2.570 1.438 -10.368 1.00 0.00 C ATOM 731 CG GLN A 47 -2.453 -0.069 -10.553 1.00 0.00 C ATOM 732 CD GLN A 47 -1.101 -0.508 -11.069 1.00 0.00 C ATOM 733 OE1 GLN A 47 -0.434 0.214 -11.812 1.00 0.00 O ATOM 734 NE2 GLN A 47 -0.688 -1.700 -10.676 1.00 0.00 N ATOM 0 H GLN A 47 -3.514 3.748 -8.957 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.708 1.532 -10.502 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.397 1.929 -11.326 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.786 1.776 -9.690 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.647 -0.561 -9.600 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.224 -0.403 -11.247 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.273 -2.265 -10.060 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.216 -2.055 -10.989 1.00 0.00 H new ATOM 743 N VAL A 48 -4.632 0.007 -8.448 1.00 0.00 N ATOM 744 CA VAL A 48 -4.847 -0.742 -7.220 1.00 0.00 C ATOM 745 C VAL A 48 -3.966 -1.990 -7.231 1.00 0.00 C ATOM 746 O VAL A 48 -3.418 -2.350 -8.276 1.00 0.00 O ATOM 747 CB VAL A 48 -6.330 -1.161 -7.077 1.00 0.00 C ATOM 748 CG1 VAL A 48 -6.614 -2.420 -7.887 1.00 0.00 C ATOM 749 CG2 VAL A 48 -6.711 -1.355 -5.616 1.00 0.00 C ATOM 0 H VAL A 48 -4.862 -0.509 -9.297 1.00 0.00 H new ATOM 0 HA VAL A 48 -4.587 -0.105 -6.375 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.946 -0.354 -7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -7.662 -2.697 -7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.401 -2.231 -8.939 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.982 -3.233 -7.529 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.759 -1.649 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.087 -2.134 -5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.561 -0.421 -5.074 1.00 0.00 H new ATOM 759 N GLY A 49 -3.812 -2.633 -6.086 1.00 0.00 N ATOM 760 CA GLY A 49 -3.104 -3.893 -6.050 1.00 0.00 C ATOM 761 C GLY A 49 -2.590 -4.222 -4.668 1.00 0.00 C ATOM 762 O GLY A 49 -3.041 -3.637 -3.682 1.00 0.00 O ATOM 0 H GLY A 49 -4.162 -2.307 -5.185 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.767 -4.690 -6.388 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.267 -3.857 -6.748 1.00 0.00 H new ATOM 766 N TRP A 50 -1.652 -5.154 -4.592 1.00 0.00 N ATOM 767 CA TRP A 50 -1.132 -5.601 -3.310 1.00 0.00 C ATOM 768 C TRP A 50 0.168 -4.889 -2.973 1.00 0.00 C ATOM 769 O TRP A 50 1.077 -4.807 -3.802 1.00 0.00 O ATOM 770 CB TRP A 50 -0.892 -7.112 -3.325 1.00 0.00 C ATOM 771 CG TRP A 50 -2.107 -7.916 -3.667 1.00 0.00 C ATOM 772 CD1 TRP A 50 -2.498 -8.317 -4.912 1.00 0.00 C ATOM 773 CD2 TRP A 50 -3.086 -8.425 -2.754 1.00 0.00 C ATOM 774 NE1 TRP A 50 -3.660 -9.044 -4.829 1.00 0.00 N ATOM 775 CE2 TRP A 50 -4.041 -9.125 -3.515 1.00 0.00 C ATOM 776 CE3 TRP A 50 -3.246 -8.360 -1.367 1.00 0.00 C ATOM 777 CZ2 TRP A 50 -5.140 -9.752 -2.934 1.00 0.00 C ATOM 778 CZ3 TRP A 50 -4.337 -8.981 -0.792 1.00 0.00 C ATOM 779 CH2 TRP A 50 -5.270 -9.669 -1.573 1.00 0.00 C ATOM 0 H TRP A 50 -1.236 -5.614 -5.402 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.875 -5.361 -2.550 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -0.105 -7.338 -4.044 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.527 -7.422 -2.346 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -1.971 -8.095 -5.828 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -4.159 -9.457 -5.617 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -2.529 -7.833 -0.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -5.863 -10.284 -3.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -4.472 -8.934 0.279 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -6.112 -10.146 -1.093 1.00 0.00 H new ATOM 790 N PHE A 51 0.249 -4.380 -1.758 1.00 0.00 N ATOM 791 CA PHE A 51 1.465 -3.760 -1.269 1.00 0.00 C ATOM 792 C PHE A 51 1.816 -4.343 0.098 1.00 0.00 C ATOM 793 O PHE A 51 0.929 -4.774 0.841 1.00 0.00 O ATOM 794 CB PHE A 51 1.314 -2.230 -1.199 1.00 0.00 C ATOM 795 CG PHE A 51 0.294 -1.743 -0.208 1.00 0.00 C ATOM 796 CD1 PHE A 51 0.628 -1.599 1.127 1.00 0.00 C ATOM 797 CD2 PHE A 51 -0.994 -1.425 -0.608 1.00 0.00 C ATOM 798 CE1 PHE A 51 -0.298 -1.152 2.042 1.00 0.00 C ATOM 799 CE2 PHE A 51 -1.926 -0.976 0.306 1.00 0.00 C ATOM 800 CZ PHE A 51 -1.577 -0.838 1.633 1.00 0.00 C ATOM 0 H PHE A 51 -0.520 -4.384 -1.087 1.00 0.00 H new ATOM 0 HA PHE A 51 2.278 -3.972 -1.963 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.281 -1.794 -0.948 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.045 -1.860 -2.188 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.628 -1.840 1.455 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.272 -1.530 -1.646 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.023 -1.047 3.081 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -2.927 -0.733 -0.018 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.303 -0.485 2.350 1.00 0.00 H new ATOM 810 N PRO A 52 3.110 -4.403 0.435 1.00 0.00 N ATOM 811 CA PRO A 52 3.561 -4.913 1.730 1.00 0.00 C ATOM 812 C PRO A 52 3.124 -4.008 2.880 1.00 0.00 C ATOM 813 O PRO A 52 3.283 -2.788 2.821 1.00 0.00 O ATOM 814 CB PRO A 52 5.090 -4.932 1.610 1.00 0.00 C ATOM 815 CG PRO A 52 5.371 -4.802 0.151 1.00 0.00 C ATOM 816 CD PRO A 52 4.238 -3.999 -0.412 1.00 0.00 C ATOM 0 HA PRO A 52 3.137 -5.892 1.952 1.00 0.00 H new ATOM 0 HB2 PRO A 52 5.539 -4.113 2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.505 -5.857 2.010 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.326 -4.305 -0.021 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.431 -5.781 -0.325 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.429 -2.928 -0.349 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.060 -4.230 -1.462 1.00 0.00 H new ATOM 824 N SER A 53 2.586 -4.619 3.925 1.00 0.00 N ATOM 825 CA SER A 53 2.031 -3.887 5.054 1.00 0.00 C ATOM 826 C SER A 53 3.120 -3.134 5.825 1.00 0.00 C ATOM 827 O SER A 53 2.842 -2.159 6.522 1.00 0.00 O ATOM 828 CB SER A 53 1.299 -4.852 5.971 1.00 0.00 C ATOM 829 OG SER A 53 0.601 -4.176 7.004 1.00 0.00 O ATOM 0 H SER A 53 2.522 -5.633 4.014 1.00 0.00 H new ATOM 0 HA SER A 53 1.330 -3.144 4.674 1.00 0.00 H new ATOM 0 HB2 SER A 53 0.596 -5.445 5.386 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.014 -5.547 6.411 1.00 0.00 H new ATOM 0 HG SER A 53 -0.360 -4.186 6.811 1.00 0.00 H new ATOM 835 N ASN A 54 4.361 -3.581 5.684 1.00 0.00 N ATOM 836 CA ASN A 54 5.481 -2.983 6.411 1.00 0.00 C ATOM 837 C ASN A 54 5.918 -1.658 5.771 1.00 0.00 C ATOM 838 O ASN A 54 6.810 -0.976 6.268 1.00 0.00 O ATOM 839 CB ASN A 54 6.661 -3.961 6.446 1.00 0.00 C ATOM 840 CG ASN A 54 7.739 -3.558 7.438 1.00 0.00 C ATOM 841 OD1 ASN A 54 7.457 -2.957 8.477 1.00 0.00 O ATOM 842 ND2 ASN A 54 8.982 -3.883 7.124 1.00 0.00 N ATOM 0 H ASN A 54 4.621 -4.356 5.074 1.00 0.00 H new ATOM 0 HA ASN A 54 5.151 -2.773 7.429 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.294 -4.955 6.701 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.099 -4.029 5.450 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.748 -3.636 7.751 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.175 -4.381 6.255 1.00 0.00 H new ATOM 849 N TYR A 55 5.280 -1.290 4.668 1.00 0.00 N ATOM 850 CA TYR A 55 5.654 -0.080 3.946 1.00 0.00 C ATOM 851 C TYR A 55 4.620 1.031 4.119 1.00 0.00 C ATOM 852 O TYR A 55 4.695 2.058 3.444 1.00 0.00 O ATOM 853 CB TYR A 55 5.833 -0.380 2.457 1.00 0.00 C ATOM 854 CG TYR A 55 7.108 -1.122 2.110 1.00 0.00 C ATOM 855 CD1 TYR A 55 7.231 -2.483 2.345 1.00 0.00 C ATOM 856 CD2 TYR A 55 8.183 -0.457 1.534 1.00 0.00 C ATOM 857 CE1 TYR A 55 8.390 -3.162 2.017 1.00 0.00 C ATOM 858 CE2 TYR A 55 9.344 -1.129 1.200 1.00 0.00 C ATOM 859 CZ TYR A 55 9.443 -2.481 1.443 1.00 0.00 C ATOM 860 OH TYR A 55 10.598 -3.154 1.106 1.00 0.00 O ATOM 0 H TYR A 55 4.505 -1.808 4.255 1.00 0.00 H new ATOM 0 HA TYR A 55 6.598 0.265 4.368 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.982 -0.968 2.114 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.814 0.560 1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.408 -3.021 2.791 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.110 0.604 1.344 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.470 -4.222 2.210 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.169 -0.596 0.751 1.00 0.00 H new ATOM 0 HH TYR A 55 11.239 -2.526 0.711 1.00 0.00 H new ATOM 870 N VAL A 56 3.663 0.843 5.023 1.00 0.00 N ATOM 871 CA VAL A 56 2.606 1.838 5.215 1.00 0.00 C ATOM 872 C VAL A 56 2.340 2.136 6.686 1.00 0.00 C ATOM 873 O VAL A 56 2.883 1.492 7.583 1.00 0.00 O ATOM 874 CB VAL A 56 1.276 1.428 4.557 1.00 0.00 C ATOM 875 CG1 VAL A 56 1.398 1.450 3.043 1.00 0.00 C ATOM 876 CG2 VAL A 56 0.831 0.063 5.055 1.00 0.00 C ATOM 0 H VAL A 56 3.595 0.024 5.628 1.00 0.00 H new ATOM 0 HA VAL A 56 2.985 2.737 4.728 1.00 0.00 H new ATOM 0 HB VAL A 56 0.512 2.152 4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.447 1.157 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.659 2.456 2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.175 0.753 2.730 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.111 -0.209 4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.590 -0.679 4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.694 0.097 6.136 1.00 0.00 H new ATOM 886 N THR A 57 1.504 3.135 6.905 1.00 0.00 N ATOM 887 CA THR A 57 1.104 3.558 8.229 1.00 0.00 C ATOM 888 C THR A 57 -0.366 3.972 8.218 1.00 0.00 C ATOM 889 O THR A 57 -0.748 4.881 7.484 1.00 0.00 O ATOM 890 CB THR A 57 1.992 4.729 8.702 1.00 0.00 C ATOM 891 OG1 THR A 57 3.266 4.231 9.120 1.00 0.00 O ATOM 892 CG2 THR A 57 1.349 5.524 9.827 1.00 0.00 C ATOM 0 H THR A 57 1.080 3.681 6.155 1.00 0.00 H new ATOM 0 HA THR A 57 1.229 2.727 8.924 1.00 0.00 H new ATOM 0 HB THR A 57 2.117 5.408 7.858 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.343 3.285 8.877 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.013 6.336 10.124 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.400 5.937 9.484 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.172 4.869 10.680 1.00 0.00 H new ATOM 900 N GLU A 58 -1.182 3.283 9.007 1.00 0.00 N ATOM 901 CA GLU A 58 -2.619 3.545 9.052 1.00 0.00 C ATOM 902 C GLU A 58 -2.900 4.945 9.611 1.00 0.00 C ATOM 903 O GLU A 58 -2.971 5.922 8.867 1.00 0.00 O ATOM 904 CB GLU A 58 -3.317 2.481 9.902 1.00 0.00 C ATOM 905 CG GLU A 58 -3.089 1.067 9.398 1.00 0.00 C ATOM 906 CD GLU A 58 -3.712 0.014 10.297 1.00 0.00 C ATOM 907 OE1 GLU A 58 -3.113 -0.311 11.347 1.00 0.00 O ATOM 908 OE2 GLU A 58 -4.800 -0.492 9.956 1.00 0.00 O ATOM 0 H GLU A 58 -0.873 2.535 9.628 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.012 3.501 8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.961 2.555 10.929 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.388 2.685 9.920 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.504 0.973 8.394 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.018 0.883 9.319 1.00 0.00 H new ATOM 915 N GLU A 59 -3.050 5.038 10.925 1.00 0.00 N ATOM 916 CA GLU A 59 -3.185 6.321 11.590 1.00 0.00 C ATOM 917 C GLU A 59 -2.187 6.394 12.731 1.00 0.00 C ATOM 918 O GLU A 59 -2.513 6.101 13.881 1.00 0.00 O ATOM 919 CB GLU A 59 -4.609 6.545 12.117 1.00 0.00 C ATOM 920 CG GLU A 59 -5.676 6.556 11.036 1.00 0.00 C ATOM 921 CD GLU A 59 -7.022 7.027 11.551 1.00 0.00 C ATOM 922 OE1 GLU A 59 -7.428 6.607 12.653 1.00 0.00 O ATOM 923 OE2 GLU A 59 -7.676 7.836 10.861 1.00 0.00 O ATOM 0 H GLU A 59 -3.081 4.234 11.552 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.983 7.108 10.863 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.845 5.762 12.838 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.641 7.493 12.654 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.356 7.205 10.221 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.780 5.553 10.623 1.00 0.00 H new ATOM 930 N GLY A 60 -0.956 6.736 12.392 1.00 0.00 N ATOM 931 CA GLY A 60 0.093 6.805 13.381 1.00 0.00 C ATOM 932 C GLY A 60 1.025 7.968 13.132 1.00 0.00 C ATOM 933 O GLY A 60 0.726 8.848 12.318 1.00 0.00 O ATOM 0 H GLY A 60 -0.664 6.968 11.443 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.349 6.899 14.373 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.662 5.875 13.373 1.00 0.00 H new ATOM 937 N ASP A 61 2.154 7.969 13.819 1.00 0.00 N ATOM 938 CA ASP A 61 3.112 9.059 13.723 1.00 0.00 C ATOM 939 C ASP A 61 4.522 8.560 14.023 1.00 0.00 C ATOM 940 O ASP A 61 4.856 8.348 15.205 1.00 0.00 O ATOM 941 CB ASP A 61 2.716 10.213 14.663 1.00 0.00 C ATOM 942 CG ASP A 61 2.581 9.796 16.118 1.00 0.00 C ATOM 943 OD1 ASP A 61 1.729 8.933 16.423 1.00 0.00 O ATOM 944 OD2 ASP A 61 3.313 10.342 16.970 1.00 0.00 O ATOM 0 H ASP A 61 2.432 7.221 14.455 1.00 0.00 H new ATOM 0 HA ASP A 61 3.102 9.442 12.702 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.463 11.003 14.588 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.770 10.636 14.326 1.00 0.00 H new TER 949 ASP A 61