USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 427 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 49 THR OG1 : rot 145:sc= 1.13 USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= 1.01 USER MOD Set 2.1: A 14 TYR OH : rot -150:sc= 0.237 USER MOD Set 2.2: A 16 THR OG1 : rot -123:sc= 1.59 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= -3.39 (180deg=-4.11!) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -6.76! C(o=-6.8!,f=-15!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0.082) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot -169:sc= -0.898 USER MOD Single : A 28 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= -1.15 (180deg=-1.5) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 23:sc= -0.0515 USER MOD Single : A 50 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0439) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.44 USER MOD Single : A 55 GLN : amide:sc= -3.52! C(o=-3.5!,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.634 3.523 3.969 1.00 0.00 N ATOM 2 CA MET A 1 11.635 4.982 3.674 1.00 0.00 C ATOM 3 C MET A 1 11.074 5.267 2.277 1.00 0.00 C ATOM 4 O MET A 1 9.864 5.404 2.103 1.00 0.00 O ATOM 5 CB MET A 1 13.073 5.503 3.797 1.00 0.00 C ATOM 6 CG MET A 1 13.418 6.018 5.185 1.00 0.00 C ATOM 7 SD MET A 1 14.243 7.618 5.151 1.00 0.00 S ATOM 8 CE MET A 1 14.281 8.012 6.899 1.00 0.00 C ATOM 0 H1 MET A 1 12.457 3.288 4.559 1.00 0.00 H new ATOM 0 H2 MET A 1 10.761 3.272 4.476 1.00 0.00 H new ATOM 0 H3 MET A 1 11.683 2.989 3.078 1.00 0.00 H new ATOM 0 HA MET A 1 10.991 5.495 4.389 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.764 4.702 3.534 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.223 6.304 3.074 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.505 6.098 5.775 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.060 5.294 5.687 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.764 8.978 7.044 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.262 8.054 7.285 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.840 7.244 7.433 1.00 0.00 H new ATOM 20 N TYR A 2 11.957 5.360 1.290 1.00 0.00 N ATOM 21 CA TYR A 2 11.549 5.634 -0.082 1.00 0.00 C ATOM 22 C TYR A 2 10.731 4.495 -0.679 1.00 0.00 C ATOM 23 O TYR A 2 11.183 3.820 -1.605 1.00 0.00 O ATOM 24 CB TYR A 2 12.788 5.879 -0.950 1.00 0.00 C ATOM 25 CG TYR A 2 13.915 4.889 -0.719 1.00 0.00 C ATOM 26 CD1 TYR A 2 13.674 3.641 -0.144 1.00 0.00 C ATOM 27 CD2 TYR A 2 15.224 5.203 -1.074 1.00 0.00 C ATOM 28 CE1 TYR A 2 14.698 2.740 0.068 1.00 0.00 C ATOM 29 CE2 TYR A 2 16.257 4.307 -0.866 1.00 0.00 C ATOM 30 CZ TYR A 2 15.990 3.081 -0.295 1.00 0.00 C ATOM 31 OH TYR A 2 17.011 2.181 -0.083 1.00 0.00 O ATOM 0 H TYR A 2 12.963 5.249 1.415 1.00 0.00 H new ATOM 0 HA TYR A 2 10.917 6.522 -0.063 1.00 0.00 H new ATOM 0 HB2 TYR A 2 12.496 5.841 -1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 2 13.159 6.886 -0.758 1.00 0.00 H new ATOM 0 HD1 TYR A 2 12.667 3.375 0.141 1.00 0.00 H new ATOM 0 HD2 TYR A 2 15.437 6.163 -1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 2 14.493 1.778 0.513 1.00 0.00 H new ATOM 0 HE2 TYR A 2 17.266 4.566 -1.149 1.00 0.00 H new ATOM 0 HH TYR A 2 17.857 2.567 -0.392 1.00 0.00 H new ATOM 41 N TYR A 3 9.520 4.280 -0.167 1.00 0.00 N ATOM 42 CA TYR A 3 8.669 3.219 -0.692 1.00 0.00 C ATOM 43 C TYR A 3 7.311 3.769 -1.089 1.00 0.00 C ATOM 44 O TYR A 3 6.830 4.744 -0.509 1.00 0.00 O ATOM 45 CB TYR A 3 8.491 2.097 0.331 1.00 0.00 C ATOM 46 CG TYR A 3 9.757 1.322 0.625 1.00 0.00 C ATOM 47 CD1 TYR A 3 10.888 1.959 1.115 1.00 0.00 C ATOM 48 CD2 TYR A 3 9.818 -0.048 0.410 1.00 0.00 C ATOM 49 CE1 TYR A 3 12.046 1.254 1.382 1.00 0.00 C ATOM 50 CE2 TYR A 3 10.970 -0.762 0.676 1.00 0.00 C ATOM 51 CZ TYR A 3 12.082 -0.108 1.162 1.00 0.00 C ATOM 52 OH TYR A 3 13.232 -0.814 1.427 1.00 0.00 O ATOM 0 H TYR A 3 9.113 4.818 0.598 1.00 0.00 H new ATOM 0 HA TYR A 3 9.160 2.810 -1.575 1.00 0.00 H new ATOM 0 HB2 TYR A 3 8.115 2.524 1.261 1.00 0.00 H new ATOM 0 HB3 TYR A 3 7.731 1.406 -0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 3 10.863 3.024 1.291 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.950 -0.564 0.028 1.00 0.00 H new ATOM 0 HE1 TYR A 3 12.918 1.766 1.761 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.999 -1.828 0.504 1.00 0.00 H new ATOM 0 HH TYR A 3 13.090 -1.761 1.219 1.00 0.00 H new ATOM 62 N LEU A 4 6.689 3.136 -2.073 1.00 0.00 N ATOM 63 CA LEU A 4 5.375 3.564 -2.533 1.00 0.00 C ATOM 64 C LEU A 4 4.473 2.362 -2.731 1.00 0.00 C ATOM 65 O LEU A 4 4.939 1.286 -3.109 1.00 0.00 O ATOM 66 CB LEU A 4 5.486 4.375 -3.830 1.00 0.00 C ATOM 67 CG LEU A 4 5.703 3.554 -5.100 1.00 0.00 C ATOM 68 CD1 LEU A 4 4.377 3.046 -5.643 1.00 0.00 C ATOM 69 CD2 LEU A 4 6.434 4.377 -6.149 1.00 0.00 C ATOM 0 H LEU A 4 7.070 2.329 -2.566 1.00 0.00 H new ATOM 0 HA LEU A 4 4.937 4.208 -1.771 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.576 4.964 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 4 6.311 5.080 -3.728 1.00 0.00 H new ATOM 0 HG LEU A 4 6.321 2.692 -4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.553 2.464 -6.547 1.00 0.00 H new ATOM 0 HD12 LEU A 4 3.894 2.417 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 4 3.731 3.892 -5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.580 3.776 -7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.844 5.260 -6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.403 4.686 -5.758 1.00 0.00 H new ATOM 81 N VAL A 5 3.183 2.533 -2.473 1.00 0.00 N ATOM 82 CA VAL A 5 2.250 1.431 -2.632 1.00 0.00 C ATOM 83 C VAL A 5 1.078 1.809 -3.529 1.00 0.00 C ATOM 84 O VAL A 5 0.620 2.947 -3.509 1.00 0.00 O ATOM 85 CB VAL A 5 1.699 0.926 -1.282 1.00 0.00 C ATOM 86 CG1 VAL A 5 0.652 1.855 -0.713 1.00 0.00 C ATOM 87 CG2 VAL A 5 1.102 -0.442 -1.463 1.00 0.00 C ATOM 0 H VAL A 5 2.766 3.409 -2.158 1.00 0.00 H new ATOM 0 HA VAL A 5 2.821 0.629 -3.099 1.00 0.00 H new ATOM 0 HB VAL A 5 2.531 0.889 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.293 1.460 0.237 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.088 2.841 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.181 1.935 -1.411 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.713 -0.798 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.291 -0.392 -2.190 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.869 -1.129 -1.822 1.00 0.00 H new ATOM 97 N VAL A 6 0.599 0.839 -4.302 1.00 0.00 N ATOM 98 CA VAL A 6 -0.525 1.046 -5.200 1.00 0.00 C ATOM 99 C VAL A 6 -1.540 -0.093 -5.073 1.00 0.00 C ATOM 100 O VAL A 6 -1.250 -1.245 -5.389 1.00 0.00 O ATOM 101 CB VAL A 6 -0.041 1.155 -6.662 1.00 0.00 C ATOM 102 CG1 VAL A 6 1.102 2.153 -6.771 1.00 0.00 C ATOM 103 CG2 VAL A 6 0.402 -0.203 -7.174 1.00 0.00 C ATOM 0 H VAL A 6 0.979 -0.107 -4.322 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.010 1.980 -4.918 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.871 1.507 -7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.431 2.217 -7.808 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.762 3.133 -6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.933 1.824 -6.147 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.740 -0.110 -8.206 1.00 0.00 H new ATOM 0 HG22 VAL A 6 1.219 -0.576 -6.556 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.435 -0.900 -7.128 1.00 0.00 H new ATOM 113 N ASN A 7 -2.729 0.242 -4.599 1.00 0.00 N ATOM 114 CA ASN A 7 -3.792 -0.741 -4.414 1.00 0.00 C ATOM 115 C ASN A 7 -4.586 -0.945 -5.700 1.00 0.00 C ATOM 116 O ASN A 7 -5.033 0.019 -6.321 1.00 0.00 O ATOM 117 CB ASN A 7 -4.723 -0.287 -3.273 1.00 0.00 C ATOM 118 CG ASN A 7 -6.106 -0.926 -3.300 1.00 0.00 C ATOM 119 OD1 ASN A 7 -6.390 -1.811 -4.108 1.00 0.00 O ATOM 120 ND2 ASN A 7 -6.979 -0.473 -2.408 1.00 0.00 N ATOM 0 H ASN A 7 -2.986 1.192 -4.333 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.338 -1.696 -4.151 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.248 -0.517 -2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -4.835 0.796 -3.321 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.922 -0.859 -2.376 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -6.706 0.261 -1.755 1.00 0.00 H new ATOM 127 N LYS A 8 -4.782 -2.208 -6.091 1.00 0.00 N ATOM 128 CA LYS A 8 -5.552 -2.501 -7.297 1.00 0.00 C ATOM 129 C LYS A 8 -6.496 -3.681 -7.078 1.00 0.00 C ATOM 130 O LYS A 8 -6.063 -4.810 -6.859 1.00 0.00 O ATOM 131 CB LYS A 8 -4.614 -2.781 -8.475 1.00 0.00 C ATOM 132 CG LYS A 8 -5.334 -3.111 -9.764 1.00 0.00 C ATOM 133 CD LYS A 8 -5.887 -1.854 -10.428 1.00 0.00 C ATOM 134 CE LYS A 8 -5.802 -1.940 -11.945 1.00 0.00 C ATOM 135 NZ LYS A 8 -7.125 -2.255 -12.562 1.00 0.00 N ATOM 0 H LYS A 8 -4.425 -3.027 -5.599 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.157 -1.625 -7.529 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.979 -1.910 -8.637 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.956 -3.610 -8.215 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.649 -3.614 -10.447 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.149 -3.806 -9.560 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.925 -1.710 -10.128 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.331 -0.983 -10.080 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.433 -0.994 -12.342 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.080 -2.707 -12.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.023 -2.305 -13.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.466 -3.170 -12.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.808 -1.510 -12.317 1.00 0.00 H new ATOM 149 N GLY A 9 -7.793 -3.412 -7.147 1.00 0.00 N ATOM 150 CA GLY A 9 -8.777 -4.460 -6.955 1.00 0.00 C ATOM 151 C GLY A 9 -9.742 -4.556 -8.127 1.00 0.00 C ATOM 152 O GLY A 9 -9.326 -4.741 -9.271 1.00 0.00 O ATOM 0 H GLY A 9 -8.182 -2.487 -7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.269 -5.415 -6.825 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.336 -4.269 -6.039 1.00 0.00 H new ATOM 156 N GLN A 10 -11.032 -4.429 -7.839 1.00 0.00 N ATOM 157 CA GLN A 10 -12.056 -4.501 -8.881 1.00 0.00 C ATOM 158 C GLN A 10 -12.807 -3.183 -9.001 1.00 0.00 C ATOM 159 O GLN A 10 -13.285 -2.826 -10.082 1.00 0.00 O ATOM 160 CB GLN A 10 -13.035 -5.637 -8.575 1.00 0.00 C ATOM 161 CG GLN A 10 -12.598 -6.983 -9.126 1.00 0.00 C ATOM 162 CD GLN A 10 -13.763 -7.836 -9.583 1.00 0.00 C ATOM 163 OE1 GLN A 10 -14.821 -7.849 -8.954 1.00 0.00 O ATOM 164 NE2 GLN A 10 -13.578 -8.549 -10.688 1.00 0.00 N ATOM 0 H GLN A 10 -11.395 -4.276 -6.898 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.562 -4.699 -9.832 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -13.157 -5.719 -7.495 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -14.012 -5.385 -8.988 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.919 -6.824 -9.964 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.039 -7.520 -8.360 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -12.684 -8.508 -11.178 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -14.330 -9.138 -11.047 1.00 0.00 H new ATOM 173 N ASN A 11 -12.924 -2.461 -7.890 1.00 0.00 N ATOM 174 CA ASN A 11 -13.626 -1.186 -7.879 1.00 0.00 C ATOM 175 C ASN A 11 -13.013 -0.228 -6.861 1.00 0.00 C ATOM 176 O ASN A 11 -13.731 0.448 -6.122 1.00 0.00 O ATOM 177 CB ASN A 11 -15.101 -1.415 -7.553 1.00 0.00 C ATOM 178 CG ASN A 11 -15.988 -0.313 -8.093 1.00 0.00 C ATOM 179 OD1 ASN A 11 -16.253 0.683 -7.420 1.00 0.00 O ATOM 180 ND2 ASN A 11 -16.468 -0.484 -9.326 1.00 0.00 N ATOM 0 H ASN A 11 -12.541 -2.739 -6.987 1.00 0.00 H new ATOM 0 HA ASN A 11 -13.534 -0.735 -8.867 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -15.419 -2.371 -7.970 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -15.226 -1.482 -6.472 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -17.075 0.223 -9.739 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -16.228 -1.322 -9.855 1.00 0.00 H new ATOM 187 N ALA A 12 -11.685 -0.170 -6.824 1.00 0.00 N ATOM 188 CA ALA A 12 -10.992 0.709 -5.892 1.00 0.00 C ATOM 189 C ALA A 12 -9.488 0.736 -6.159 1.00 0.00 C ATOM 190 O ALA A 12 -8.844 -0.306 -6.229 1.00 0.00 O ATOM 191 CB ALA A 12 -11.267 0.277 -4.463 1.00 0.00 C ATOM 0 H ALA A 12 -11.071 -0.719 -7.426 1.00 0.00 H new ATOM 0 HA ALA A 12 -11.372 1.720 -6.039 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.744 0.941 -3.775 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -12.338 0.324 -4.269 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -10.916 -0.745 -4.318 1.00 0.00 H new ATOM 197 N PHE A 13 -8.944 1.939 -6.308 1.00 0.00 N ATOM 198 CA PHE A 13 -7.523 2.113 -6.566 1.00 0.00 C ATOM 199 C PHE A 13 -6.943 3.217 -5.680 1.00 0.00 C ATOM 200 O PHE A 13 -7.319 4.383 -5.800 1.00 0.00 O ATOM 201 CB PHE A 13 -7.267 2.437 -8.045 1.00 0.00 C ATOM 202 CG PHE A 13 -8.463 2.981 -8.766 1.00 0.00 C ATOM 203 CD1 PHE A 13 -9.510 2.148 -9.122 1.00 0.00 C ATOM 204 CD2 PHE A 13 -8.544 4.328 -9.095 1.00 0.00 C ATOM 205 CE1 PHE A 13 -10.618 2.646 -9.792 1.00 0.00 C ATOM 206 CE2 PHE A 13 -9.641 4.829 -9.758 1.00 0.00 C ATOM 207 CZ PHE A 13 -10.683 3.989 -10.110 1.00 0.00 C ATOM 0 H PHE A 13 -9.471 2.811 -6.254 1.00 0.00 H new ATOM 0 HA PHE A 13 -7.025 1.173 -6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -6.455 3.161 -8.112 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.931 1.532 -8.552 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -9.464 1.098 -8.875 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -7.735 4.991 -8.827 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -11.428 1.985 -10.064 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -9.689 5.880 -10.004 1.00 0.00 H new ATOM 0 HZ PHE A 13 -11.544 4.382 -10.631 1.00 0.00 H new ATOM 217 N TYR A 14 -6.037 2.838 -4.793 1.00 0.00 N ATOM 218 CA TYR A 14 -5.407 3.787 -3.880 1.00 0.00 C ATOM 219 C TYR A 14 -3.908 3.501 -3.766 1.00 0.00 C ATOM 220 O TYR A 14 -3.505 2.367 -3.533 1.00 0.00 O ATOM 221 CB TYR A 14 -6.085 3.704 -2.504 1.00 0.00 C ATOM 222 CG TYR A 14 -5.170 4.026 -1.349 1.00 0.00 C ATOM 223 CD1 TYR A 14 -4.304 3.067 -0.840 1.00 0.00 C ATOM 224 CD2 TYR A 14 -5.162 5.289 -0.774 1.00 0.00 C ATOM 225 CE1 TYR A 14 -3.459 3.359 0.206 1.00 0.00 C ATOM 226 CE2 TYR A 14 -4.317 5.589 0.274 1.00 0.00 C ATOM 227 CZ TYR A 14 -3.466 4.620 0.760 1.00 0.00 C ATOM 228 OH TYR A 14 -2.620 4.915 1.806 1.00 0.00 O ATOM 0 H TYR A 14 -5.718 1.875 -4.683 1.00 0.00 H new ATOM 0 HA TYR A 14 -5.528 4.797 -4.271 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -6.932 4.390 -2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.486 2.700 -2.368 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.294 2.077 -1.272 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -5.828 6.050 -1.153 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.792 2.602 0.591 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.322 6.577 0.711 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.031 5.598 2.377 1.00 0.00 H new ATOM 238 N GLU A 15 -3.081 4.529 -3.935 1.00 0.00 N ATOM 239 CA GLU A 15 -1.636 4.353 -3.855 1.00 0.00 C ATOM 240 C GLU A 15 -0.981 5.490 -3.081 1.00 0.00 C ATOM 241 O GLU A 15 -1.204 6.666 -3.370 1.00 0.00 O ATOM 242 CB GLU A 15 -1.032 4.253 -5.258 1.00 0.00 C ATOM 243 CG GLU A 15 -2.039 3.836 -6.317 1.00 0.00 C ATOM 244 CD GLU A 15 -1.476 3.907 -7.723 1.00 0.00 C ATOM 245 OE1 GLU A 15 -0.635 4.793 -7.983 1.00 0.00 O ATOM 246 OE2 GLU A 15 -1.877 3.075 -8.565 1.00 0.00 O ATOM 0 H GLU A 15 -3.384 5.484 -4.126 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.443 3.424 -3.318 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.605 5.218 -5.532 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.212 3.535 -5.243 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.372 2.818 -6.115 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.917 4.478 -6.249 1.00 0.00 H new ATOM 253 N THR A 16 -0.176 5.125 -2.092 1.00 0.00 N ATOM 254 CA THR A 16 0.510 6.101 -1.265 1.00 0.00 C ATOM 255 C THR A 16 1.951 5.695 -0.972 1.00 0.00 C ATOM 256 O THR A 16 2.244 4.534 -0.688 1.00 0.00 O ATOM 257 CB THR A 16 -0.246 6.299 0.045 1.00 0.00 C ATOM 258 OG1 THR A 16 -0.335 5.081 0.764 1.00 0.00 O ATOM 259 CG2 THR A 16 -1.646 6.817 -0.162 1.00 0.00 C ATOM 0 H THR A 16 0.017 4.154 -1.844 1.00 0.00 H new ATOM 0 HA THR A 16 0.537 7.037 -1.822 1.00 0.00 H new ATOM 0 HB THR A 16 0.323 7.040 0.606 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.277 4.872 0.938 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.136 6.938 0.804 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.606 7.779 -0.672 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.210 6.108 -0.768 1.00 0.00 H new ATOM 267 N LEU A 17 2.830 6.684 -1.028 1.00 0.00 N ATOM 268 CA LEU A 17 4.252 6.502 -0.753 1.00 0.00 C ATOM 269 C LEU A 17 4.629 7.193 0.558 1.00 0.00 C ATOM 270 O LEU A 17 4.336 8.372 0.751 1.00 0.00 O ATOM 271 CB LEU A 17 5.091 7.070 -1.894 1.00 0.00 C ATOM 272 CG LEU A 17 4.776 8.516 -2.269 1.00 0.00 C ATOM 273 CD1 LEU A 17 5.870 9.438 -1.777 1.00 0.00 C ATOM 274 CD2 LEU A 17 4.592 8.640 -3.771 1.00 0.00 C ATOM 0 H LEU A 17 2.578 7.643 -1.267 1.00 0.00 H new ATOM 0 HA LEU A 17 4.452 5.434 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.144 7.003 -1.619 1.00 0.00 H new ATOM 0 HB3 LEU A 17 4.951 6.443 -2.775 1.00 0.00 H new ATOM 0 HG LEU A 17 3.844 8.811 -1.787 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.631 10.465 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.950 9.362 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.819 9.152 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.368 9.676 -4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.507 8.332 -4.276 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.769 8.001 -4.091 1.00 0.00 H new ATOM 286 N THR A 18 5.260 6.450 1.465 1.00 0.00 N ATOM 287 CA THR A 18 5.649 6.999 2.762 1.00 0.00 C ATOM 288 C THR A 18 7.043 6.539 3.192 1.00 0.00 C ATOM 289 O THR A 18 7.507 5.464 2.800 1.00 0.00 O ATOM 290 CB THR A 18 4.609 6.626 3.829 1.00 0.00 C ATOM 291 OG1 THR A 18 4.440 7.686 4.751 1.00 0.00 O ATOM 292 CG2 THR A 18 4.958 5.383 4.623 1.00 0.00 C ATOM 0 H THR A 18 5.512 5.471 1.327 1.00 0.00 H new ATOM 0 HA THR A 18 5.687 8.083 2.658 1.00 0.00 H new ATOM 0 HB THR A 18 3.694 6.426 3.271 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.773 7.432 5.423 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.175 5.187 5.355 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.044 4.532 3.947 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.906 5.535 5.138 1.00 0.00 H new ATOM 300 N LYS A 19 7.693 7.360 4.018 1.00 0.00 N ATOM 301 CA LYS A 19 9.018 7.038 4.538 1.00 0.00 C ATOM 302 C LYS A 19 8.899 5.927 5.578 1.00 0.00 C ATOM 303 O LYS A 19 8.640 6.187 6.752 1.00 0.00 O ATOM 304 CB LYS A 19 9.662 8.277 5.164 1.00 0.00 C ATOM 305 CG LYS A 19 9.739 9.464 4.219 1.00 0.00 C ATOM 306 CD LYS A 19 10.787 9.249 3.139 1.00 0.00 C ATOM 307 CE LYS A 19 11.949 10.216 3.289 1.00 0.00 C ATOM 308 NZ LYS A 19 12.446 10.698 1.969 1.00 0.00 N ATOM 0 H LYS A 19 7.321 8.253 4.340 1.00 0.00 H new ATOM 0 HA LYS A 19 9.650 6.700 3.717 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.094 8.564 6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 19 10.668 8.024 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.766 9.625 3.756 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.977 10.365 4.784 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.156 8.225 3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.331 9.377 2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.636 11.068 3.892 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.761 9.726 3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 13.239 11.355 2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.768 9.888 1.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.678 11.188 1.467 1.00 0.00 H new ATOM 322 N ALA A 20 9.054 4.687 5.128 1.00 0.00 N ATOM 323 CA ALA A 20 8.928 3.526 6.004 1.00 0.00 C ATOM 324 C ALA A 20 10.225 3.151 6.713 1.00 0.00 C ATOM 325 O ALA A 20 10.333 2.065 7.275 1.00 0.00 O ATOM 326 CB ALA A 20 8.435 2.343 5.207 1.00 0.00 C ATOM 0 H ALA A 20 9.268 4.458 4.157 1.00 0.00 H new ATOM 0 HA ALA A 20 8.214 3.800 6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.341 1.477 5.862 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.463 2.576 4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.144 2.120 4.410 1.00 0.00 H new ATOM 332 N VAL A 21 11.195 4.044 6.700 1.00 0.00 N ATOM 333 CA VAL A 21 12.473 3.792 7.365 1.00 0.00 C ATOM 334 C VAL A 21 13.219 2.596 6.763 1.00 0.00 C ATOM 335 O VAL A 21 14.251 2.766 6.116 1.00 0.00 O ATOM 336 CB VAL A 21 12.276 3.548 8.873 1.00 0.00 C ATOM 337 CG1 VAL A 21 13.618 3.501 9.588 1.00 0.00 C ATOM 338 CG2 VAL A 21 11.381 4.620 9.476 1.00 0.00 C ATOM 0 H VAL A 21 11.130 4.951 6.239 1.00 0.00 H new ATOM 0 HA VAL A 21 13.075 4.688 7.211 1.00 0.00 H new ATOM 0 HB VAL A 21 11.787 2.583 9.004 1.00 0.00 H new ATOM 0 HG11 VAL A 21 13.457 3.328 10.652 1.00 0.00 H new ATOM 0 HG12 VAL A 21 14.222 2.693 9.176 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.138 4.449 9.449 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.254 4.430 10.542 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.839 5.599 9.334 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.408 4.600 8.985 1.00 0.00 H new ATOM 348 N ASP A 22 12.700 1.385 6.987 1.00 0.00 N ATOM 349 CA ASP A 22 13.332 0.178 6.475 1.00 0.00 C ATOM 350 C ASP A 22 12.413 -0.558 5.500 1.00 0.00 C ATOM 351 O ASP A 22 11.462 0.017 4.966 1.00 0.00 O ATOM 352 CB ASP A 22 13.716 -0.746 7.636 1.00 0.00 C ATOM 353 CG ASP A 22 14.352 0.004 8.790 1.00 0.00 C ATOM 354 OD1 ASP A 22 15.130 0.947 8.529 1.00 0.00 O ATOM 355 OD2 ASP A 22 14.075 -0.351 9.955 1.00 0.00 O ATOM 0 H ASP A 22 11.845 1.221 7.519 1.00 0.00 H new ATOM 0 HA ASP A 22 14.232 0.470 5.934 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.827 -1.266 7.991 1.00 0.00 H new ATOM 0 HB3 ASP A 22 14.408 -1.507 7.276 1.00 0.00 H new ATOM 360 N ALA A 23 12.713 -1.831 5.270 1.00 0.00 N ATOM 361 CA ALA A 23 11.934 -2.661 4.354 1.00 0.00 C ATOM 362 C ALA A 23 10.756 -3.324 5.058 1.00 0.00 C ATOM 363 O ALA A 23 9.603 -2.950 4.840 1.00 0.00 O ATOM 364 CB ALA A 23 12.827 -3.712 3.711 1.00 0.00 C ATOM 0 H ALA A 23 13.496 -2.315 5.708 1.00 0.00 H new ATOM 0 HA ALA A 23 11.530 -2.011 3.578 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.236 -4.325 3.030 1.00 0.00 H new ATOM 0 HB2 ALA A 23 13.626 -3.220 3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 23 13.260 -4.345 4.486 1.00 0.00 H new ATOM 370 N GLU A 24 11.045 -4.310 5.907 1.00 0.00 N ATOM 371 CA GLU A 24 9.992 -5.011 6.640 1.00 0.00 C ATOM 372 C GLU A 24 9.176 -4.030 7.468 1.00 0.00 C ATOM 373 O GLU A 24 8.019 -4.284 7.799 1.00 0.00 O ATOM 374 CB GLU A 24 10.577 -6.090 7.543 1.00 0.00 C ATOM 375 CG GLU A 24 11.666 -6.919 6.880 1.00 0.00 C ATOM 376 CD GLU A 24 11.302 -8.387 6.774 1.00 0.00 C ATOM 377 OE1 GLU A 24 10.603 -8.757 5.808 1.00 0.00 O ATOM 378 OE2 GLU A 24 11.717 -9.167 7.657 1.00 0.00 O ATOM 0 H GLU A 24 11.990 -4.639 6.103 1.00 0.00 H new ATOM 0 HA GLU A 24 9.340 -5.489 5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.985 -5.620 8.438 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.775 -6.753 7.868 1.00 0.00 H new ATOM 0 HG2 GLU A 24 11.861 -6.524 5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.590 -6.818 7.449 1.00 0.00 H new ATOM 385 N THR A 25 9.780 -2.885 7.750 1.00 0.00 N ATOM 386 CA THR A 25 9.118 -1.825 8.482 1.00 0.00 C ATOM 387 C THR A 25 8.102 -1.212 7.548 1.00 0.00 C ATOM 388 O THR A 25 6.984 -0.900 7.935 1.00 0.00 O ATOM 389 CB THR A 25 10.124 -0.772 8.950 1.00 0.00 C ATOM 390 OG1 THR A 25 11.238 -1.385 9.576 1.00 0.00 O ATOM 391 CG2 THR A 25 9.537 0.222 9.929 1.00 0.00 C ATOM 0 H THR A 25 10.739 -2.669 7.477 1.00 0.00 H new ATOM 0 HA THR A 25 8.635 -2.221 9.375 1.00 0.00 H new ATOM 0 HB THR A 25 10.423 -0.237 8.048 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.781 -0.701 10.020 1.00 0.00 H new ATOM 0 HG21 THR A 25 10.303 0.941 10.221 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.706 0.748 9.459 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.179 -0.306 10.813 1.00 0.00 H new ATOM 399 N ALA A 26 8.492 -1.116 6.283 1.00 0.00 N ATOM 400 CA ALA A 26 7.603 -0.625 5.258 1.00 0.00 C ATOM 401 C ALA A 26 6.575 -1.705 4.980 1.00 0.00 C ATOM 402 O ALA A 26 5.485 -1.444 4.486 1.00 0.00 O ATOM 403 CB ALA A 26 8.378 -0.277 3.996 1.00 0.00 C ATOM 0 H ALA A 26 9.421 -1.374 5.950 1.00 0.00 H new ATOM 0 HA ALA A 26 7.108 0.286 5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 26 7.689 0.091 3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 26 9.114 0.494 4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 26 8.887 -1.167 3.624 1.00 0.00 H new ATOM 409 N ARG A 27 6.941 -2.937 5.328 1.00 0.00 N ATOM 410 CA ARG A 27 6.056 -4.071 5.144 1.00 0.00 C ATOM 411 C ARG A 27 5.045 -4.135 6.271 1.00 0.00 C ATOM 412 O ARG A 27 3.873 -4.397 6.034 1.00 0.00 O ATOM 413 CB ARG A 27 6.861 -5.372 5.077 1.00 0.00 C ATOM 414 CG ARG A 27 7.820 -5.431 3.897 1.00 0.00 C ATOM 415 CD ARG A 27 7.131 -5.954 2.646 1.00 0.00 C ATOM 416 NE ARG A 27 7.864 -7.061 2.038 1.00 0.00 N ATOM 417 CZ ARG A 27 7.360 -7.855 1.098 1.00 0.00 C ATOM 418 NH1 ARG A 27 6.123 -7.668 0.652 1.00 0.00 N ATOM 419 NH2 ARG A 27 8.094 -8.841 0.598 1.00 0.00 N ATOM 0 H ARG A 27 7.845 -3.169 5.738 1.00 0.00 H new ATOM 0 HA ARG A 27 5.522 -3.946 4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.427 -5.488 6.001 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.172 -6.214 5.017 1.00 0.00 H new ATOM 0 HG2 ARG A 27 8.222 -4.437 3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 27 8.665 -6.074 4.145 1.00 0.00 H new ATOM 0 HD2 ARG A 27 6.123 -6.282 2.898 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.031 -5.145 1.922 1.00 0.00 H new ATOM 0 HE ARG A 27 8.818 -7.235 2.353 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.553 -6.911 1.031 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.743 -8.281 -0.069 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.045 -8.990 0.935 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.707 -9.450 -0.123 1.00 0.00 H new ATOM 433 N ASN A 28 5.503 -3.890 7.493 1.00 0.00 N ATOM 434 CA ASN A 28 4.623 -3.927 8.659 1.00 0.00 C ATOM 435 C ASN A 28 4.028 -2.553 8.968 1.00 0.00 C ATOM 436 O ASN A 28 2.823 -2.425 9.176 1.00 0.00 O ATOM 437 CB ASN A 28 5.388 -4.445 9.879 1.00 0.00 C ATOM 438 CG ASN A 28 5.893 -5.862 9.686 1.00 0.00 C ATOM 439 OD1 ASN A 28 5.292 -6.653 8.960 1.00 0.00 O ATOM 440 ND2 ASN A 28 7.002 -6.188 10.339 1.00 0.00 N ATOM 0 H ASN A 28 6.475 -3.664 7.704 1.00 0.00 H new ATOM 0 HA ASN A 28 3.800 -4.603 8.427 1.00 0.00 H new ATOM 0 HB2 ASN A 28 6.232 -3.786 10.082 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.738 -4.410 10.754 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.389 -7.127 10.249 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.467 -5.499 10.930 1.00 0.00 H new ATOM 447 N ALA A 29 4.876 -1.535 9.013 1.00 0.00 N ATOM 448 CA ALA A 29 4.434 -0.176 9.319 1.00 0.00 C ATOM 449 C ALA A 29 3.566 0.416 8.210 1.00 0.00 C ATOM 450 O ALA A 29 2.491 0.956 8.474 1.00 0.00 O ATOM 451 CB ALA A 29 5.637 0.723 9.562 1.00 0.00 C ATOM 0 H ALA A 29 5.878 -1.622 8.841 1.00 0.00 H new ATOM 0 HA ALA A 29 3.824 -0.232 10.220 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.296 1.733 9.789 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.215 0.338 10.402 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.262 0.743 8.669 1.00 0.00 H new ATOM 457 N PHE A 30 4.045 0.330 6.975 1.00 0.00 N ATOM 458 CA PHE A 30 3.320 0.880 5.834 1.00 0.00 C ATOM 459 C PHE A 30 2.013 0.135 5.586 1.00 0.00 C ATOM 460 O PHE A 30 0.963 0.755 5.432 1.00 0.00 O ATOM 461 CB PHE A 30 4.200 0.818 4.583 1.00 0.00 C ATOM 462 CG PHE A 30 3.997 1.923 3.581 1.00 0.00 C ATOM 463 CD1 PHE A 30 3.174 3.012 3.835 1.00 0.00 C ATOM 464 CD2 PHE A 30 4.650 1.857 2.364 1.00 0.00 C ATOM 465 CE1 PHE A 30 3.014 4.009 2.889 1.00 0.00 C ATOM 466 CE2 PHE A 30 4.498 2.846 1.419 1.00 0.00 C ATOM 467 CZ PHE A 30 3.680 3.925 1.680 1.00 0.00 C ATOM 0 H PHE A 30 4.932 -0.115 6.737 1.00 0.00 H new ATOM 0 HA PHE A 30 3.074 1.917 6.061 1.00 0.00 H new ATOM 0 HB2 PHE A 30 5.244 0.825 4.896 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.023 -0.135 4.085 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.654 3.081 4.779 1.00 0.00 H new ATOM 0 HD2 PHE A 30 5.291 1.014 2.151 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.370 4.851 3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.018 2.777 0.475 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.560 4.703 0.941 1.00 0.00 H new ATOM 477 N ILE A 31 2.077 -1.193 5.527 1.00 0.00 N ATOM 478 CA ILE A 31 0.903 -1.998 5.275 1.00 0.00 C ATOM 479 C ILE A 31 -0.283 -1.604 6.149 1.00 0.00 C ATOM 480 O ILE A 31 -1.427 -1.673 5.711 1.00 0.00 O ATOM 481 CB ILE A 31 1.231 -3.476 5.472 1.00 0.00 C ATOM 482 CG1 ILE A 31 0.145 -4.345 4.879 1.00 0.00 C ATOM 483 CG2 ILE A 31 1.457 -3.811 6.927 1.00 0.00 C ATOM 484 CD1 ILE A 31 0.712 -5.485 4.082 1.00 0.00 C ATOM 0 H ILE A 31 2.936 -1.728 5.652 1.00 0.00 H new ATOM 0 HA ILE A 31 0.609 -1.818 4.241 1.00 0.00 H new ATOM 0 HB ILE A 31 2.163 -3.680 4.946 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.483 -4.738 5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.496 -3.739 4.239 1.00 0.00 H new ATOM 0 HG21 ILE A 31 1.688 -4.872 7.025 1.00 0.00 H new ATOM 0 HG22 ILE A 31 2.290 -3.222 7.311 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.557 -3.582 7.497 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.102 -6.084 3.674 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.318 -5.092 3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.332 -6.107 4.727 1.00 0.00 H new ATOM 496 N GLN A 32 -0.013 -1.193 7.380 1.00 0.00 N ATOM 497 CA GLN A 32 -1.085 -0.797 8.289 1.00 0.00 C ATOM 498 C GLN A 32 -1.760 0.478 7.808 1.00 0.00 C ATOM 499 O GLN A 32 -2.985 0.552 7.722 1.00 0.00 O ATOM 500 CB GLN A 32 -0.548 -0.589 9.706 1.00 0.00 C ATOM 501 CG GLN A 32 0.452 -1.644 10.143 1.00 0.00 C ATOM 502 CD GLN A 32 0.026 -2.371 11.403 1.00 0.00 C ATOM 503 OE1 GLN A 32 0.399 -1.987 12.511 1.00 0.00 O ATOM 504 NE2 GLN A 32 -0.762 -3.427 11.238 1.00 0.00 N ATOM 0 H GLN A 32 0.927 -1.125 7.771 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.819 -1.602 8.303 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.077 0.392 9.766 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -1.385 -0.583 10.404 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.585 -2.368 9.339 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.420 -1.173 10.311 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.047 -3.709 10.300 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.083 -3.956 12.049 1.00 0.00 H new ATOM 513 N SER A 33 -0.951 1.481 7.496 1.00 0.00 N ATOM 514 CA SER A 33 -1.464 2.758 7.024 1.00 0.00 C ATOM 515 C SER A 33 -1.966 2.638 5.597 1.00 0.00 C ATOM 516 O SER A 33 -3.029 3.157 5.258 1.00 0.00 O ATOM 517 CB SER A 33 -0.383 3.837 7.116 1.00 0.00 C ATOM 518 OG SER A 33 -0.728 4.972 6.341 1.00 0.00 O ATOM 0 H SER A 33 0.066 1.434 7.562 1.00 0.00 H new ATOM 0 HA SER A 33 -2.300 3.047 7.662 1.00 0.00 H new ATOM 0 HB2 SER A 33 -0.246 4.131 8.157 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.569 3.433 6.771 1.00 0.00 H new ATOM 0 HG SER A 33 -0.022 5.647 6.418 1.00 0.00 H new ATOM 524 N LEU A 34 -1.207 1.939 4.762 1.00 0.00 N ATOM 525 CA LEU A 34 -1.603 1.748 3.379 1.00 0.00 C ATOM 526 C LEU A 34 -2.935 1.030 3.340 1.00 0.00 C ATOM 527 O LEU A 34 -3.813 1.358 2.542 1.00 0.00 O ATOM 528 CB LEU A 34 -0.507 0.988 2.610 1.00 0.00 C ATOM 529 CG LEU A 34 -0.943 -0.131 1.644 1.00 0.00 C ATOM 530 CD1 LEU A 34 -1.407 -1.365 2.396 1.00 0.00 C ATOM 531 CD2 LEU A 34 -2.026 0.340 0.714 1.00 0.00 C ATOM 0 H LEU A 34 -0.323 1.500 5.018 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.724 2.712 2.886 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.067 1.718 2.038 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.172 0.551 3.342 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.068 -0.397 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.707 -2.134 1.684 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.593 -1.742 3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.255 -1.107 3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.311 -0.473 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.894 0.653 1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.660 1.182 0.126 1.00 0.00 H new ATOM 543 N LYS A 35 -3.094 0.080 4.242 1.00 0.00 N ATOM 544 CA LYS A 35 -4.336 -0.654 4.343 1.00 0.00 C ATOM 545 C LYS A 35 -5.350 0.203 5.067 1.00 0.00 C ATOM 546 O LYS A 35 -6.550 0.124 4.813 1.00 0.00 O ATOM 547 CB LYS A 35 -4.125 -1.964 5.079 1.00 0.00 C ATOM 548 CG LYS A 35 -3.479 -3.034 4.216 1.00 0.00 C ATOM 549 CD LYS A 35 -4.111 -4.397 4.449 1.00 0.00 C ATOM 550 CE LYS A 35 -3.173 -5.522 4.039 1.00 0.00 C ATOM 551 NZ LYS A 35 -2.550 -5.269 2.710 1.00 0.00 N ATOM 0 H LYS A 35 -2.379 -0.199 4.913 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.702 -0.890 3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.501 -1.786 5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.086 -2.329 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.576 -2.762 3.165 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.412 -3.084 4.435 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.371 -4.504 5.502 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.039 -4.471 3.883 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.392 -5.635 4.791 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.725 -6.462 4.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.055 -6.126 2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -3.289 -5.019 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.871 -4.486 2.789 1.00 0.00 H new ATOM 565 N ASP A 36 -4.853 1.064 5.951 1.00 0.00 N ATOM 566 CA ASP A 36 -5.730 1.969 6.675 1.00 0.00 C ATOM 567 C ASP A 36 -6.606 2.722 5.678 1.00 0.00 C ATOM 568 O ASP A 36 -7.723 3.131 5.996 1.00 0.00 O ATOM 569 CB ASP A 36 -4.917 2.956 7.516 1.00 0.00 C ATOM 570 CG ASP A 36 -5.770 3.678 8.540 1.00 0.00 C ATOM 571 OD1 ASP A 36 -6.596 3.012 9.199 1.00 0.00 O ATOM 572 OD2 ASP A 36 -5.611 4.908 8.684 1.00 0.00 O ATOM 0 H ASP A 36 -3.863 1.151 6.179 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.359 1.390 7.351 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.116 2.421 8.026 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.445 3.687 6.859 1.00 0.00 H new ATOM 577 N ASP A 37 -6.086 2.885 4.458 1.00 0.00 N ATOM 578 CA ASP A 37 -6.817 3.570 3.400 1.00 0.00 C ATOM 579 C ASP A 37 -7.593 2.572 2.539 1.00 0.00 C ATOM 580 O ASP A 37 -8.783 2.752 2.283 1.00 0.00 O ATOM 581 CB ASP A 37 -5.854 4.379 2.528 1.00 0.00 C ATOM 582 CG ASP A 37 -5.972 5.871 2.769 1.00 0.00 C ATOM 583 OD1 ASP A 37 -5.469 6.346 3.809 1.00 0.00 O ATOM 584 OD2 ASP A 37 -6.567 6.565 1.918 1.00 0.00 O ATOM 0 H ASP A 37 -5.162 2.551 4.183 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.531 4.250 3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.831 4.061 2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.053 4.166 1.478 1.00 0.00 H new ATOM 589 N GLY A 38 -6.906 1.520 2.094 1.00 0.00 N ATOM 590 CA GLY A 38 -7.542 0.507 1.265 1.00 0.00 C ATOM 591 C GLY A 38 -7.213 -0.905 1.714 1.00 0.00 C ATOM 592 O GLY A 38 -6.747 -1.726 0.924 1.00 0.00 O ATOM 0 H GLY A 38 -5.920 1.351 2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.622 0.649 1.288 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -7.226 0.638 0.230 1.00 0.00 H new ATOM 596 N VAL A 39 -7.453 -1.181 2.991 1.00 0.00 N ATOM 597 CA VAL A 39 -7.181 -2.497 3.572 1.00 0.00 C ATOM 598 C VAL A 39 -7.792 -3.624 2.741 1.00 0.00 C ATOM 599 O VAL A 39 -7.171 -4.669 2.551 1.00 0.00 O ATOM 600 CB VAL A 39 -7.715 -2.598 5.022 1.00 0.00 C ATOM 601 CG1 VAL A 39 -9.023 -1.835 5.183 1.00 0.00 C ATOM 602 CG2 VAL A 39 -7.897 -4.055 5.423 1.00 0.00 C ATOM 0 H VAL A 39 -7.839 -0.506 3.651 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.097 -2.609 3.577 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.977 -2.143 5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -9.372 -1.925 6.212 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.863 -0.784 4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.772 -2.250 4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.273 -4.107 6.445 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.610 -4.531 4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.939 -4.572 5.362 1.00 0.00 H new ATOM 612 N GLN A 40 -9.022 -3.407 2.287 1.00 0.00 N ATOM 613 CA GLN A 40 -9.775 -4.396 1.496 1.00 0.00 C ATOM 614 C GLN A 40 -8.871 -5.260 0.619 1.00 0.00 C ATOM 615 O GLN A 40 -9.189 -6.415 0.337 1.00 0.00 O ATOM 616 CB GLN A 40 -10.800 -3.692 0.602 1.00 0.00 C ATOM 617 CG GLN A 40 -11.403 -2.441 1.217 1.00 0.00 C ATOM 618 CD GLN A 40 -12.618 -1.949 0.466 1.00 0.00 C ATOM 619 OE1 GLN A 40 -13.754 -2.127 0.906 1.00 0.00 O ATOM 620 NE2 GLN A 40 -12.387 -1.325 -0.682 1.00 0.00 N ATOM 0 H GLN A 40 -9.533 -2.540 2.453 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.275 -5.048 2.212 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.322 -3.426 -0.341 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.602 -4.391 0.367 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.679 -2.646 2.251 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.650 -1.653 1.238 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.430 -1.199 -1.010 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.167 -0.972 -1.236 1.00 0.00 H new ATOM 629 N GLY A 41 -7.757 -4.693 0.188 1.00 0.00 N ATOM 630 CA GLY A 41 -6.836 -5.426 -0.661 1.00 0.00 C ATOM 631 C GLY A 41 -5.551 -5.813 0.045 1.00 0.00 C ATOM 632 O GLY A 41 -5.196 -5.237 1.074 1.00 0.00 O ATOM 0 H GLY A 41 -7.471 -3.739 0.409 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.328 -6.328 -1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.595 -4.819 -1.534 1.00 0.00 H new ATOM 636 N VAL A 42 -4.844 -6.777 -0.532 1.00 0.00 N ATOM 637 CA VAL A 42 -3.571 -7.236 0.013 1.00 0.00 C ATOM 638 C VAL A 42 -2.466 -6.939 -0.988 1.00 0.00 C ATOM 639 O VAL A 42 -2.654 -7.141 -2.188 1.00 0.00 O ATOM 640 CB VAL A 42 -3.594 -8.746 0.328 1.00 0.00 C ATOM 641 CG1 VAL A 42 -3.753 -9.560 -0.945 1.00 0.00 C ATOM 642 CG2 VAL A 42 -2.334 -9.154 1.075 1.00 0.00 C ATOM 0 H VAL A 42 -5.133 -7.259 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.389 -6.706 0.948 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.453 -8.949 0.968 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.767 -10.622 -0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.688 -9.289 -1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.919 -9.354 -1.615 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.368 -10.222 1.289 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.460 -8.934 0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.270 -8.599 2.011 1.00 0.00 H new ATOM 652 N TRP A 43 -1.335 -6.414 -0.527 1.00 0.00 N ATOM 653 CA TRP A 43 -0.276 -6.063 -1.462 1.00 0.00 C ATOM 654 C TRP A 43 0.785 -7.131 -1.669 1.00 0.00 C ATOM 655 O TRP A 43 0.995 -8.020 -0.845 1.00 0.00 O ATOM 656 CB TRP A 43 0.392 -4.738 -1.081 1.00 0.00 C ATOM 657 CG TRP A 43 1.332 -4.781 0.098 1.00 0.00 C ATOM 658 CD1 TRP A 43 2.053 -5.839 0.589 1.00 0.00 C ATOM 659 CD2 TRP A 43 1.669 -3.666 0.922 1.00 0.00 C ATOM 660 NE1 TRP A 43 2.808 -5.437 1.662 1.00 0.00 N ATOM 661 CE2 TRP A 43 2.588 -4.106 1.884 1.00 0.00 C ATOM 662 CE3 TRP A 43 1.276 -2.333 0.930 1.00 0.00 C ATOM 663 CZ2 TRP A 43 3.119 -3.254 2.844 1.00 0.00 C ATOM 664 CZ3 TRP A 43 1.801 -1.487 1.882 1.00 0.00 C ATOM 665 CH2 TRP A 43 2.713 -1.944 2.827 1.00 0.00 C ATOM 0 H TRP A 43 -1.133 -6.227 0.455 1.00 0.00 H new ATOM 0 HA TRP A 43 -0.791 -5.963 -2.418 1.00 0.00 H new ATOM 0 HB2 TRP A 43 0.944 -4.371 -1.946 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.390 -4.009 -0.869 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.030 -6.842 0.190 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.432 -6.034 2.205 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.569 -1.966 0.201 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.827 -3.611 3.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.499 -0.450 1.895 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.108 -1.256 3.560 1.00 0.00 H new ATOM 676 N THR A 44 1.472 -6.972 -2.795 1.00 0.00 N ATOM 677 CA THR A 44 2.574 -7.822 -3.197 1.00 0.00 C ATOM 678 C THR A 44 3.728 -6.912 -3.585 1.00 0.00 C ATOM 679 O THR A 44 3.739 -6.344 -4.677 1.00 0.00 O ATOM 680 CB THR A 44 2.176 -8.724 -4.362 1.00 0.00 C ATOM 681 OG1 THR A 44 1.052 -8.198 -5.048 1.00 0.00 O ATOM 682 CG2 THR A 44 1.833 -10.122 -3.916 1.00 0.00 C ATOM 0 H THR A 44 1.269 -6.230 -3.465 1.00 0.00 H new ATOM 0 HA THR A 44 2.864 -8.479 -2.377 1.00 0.00 H new ATOM 0 HB THR A 44 3.044 -8.763 -5.020 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.816 -8.791 -5.791 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.557 -10.723 -4.782 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.697 -10.569 -3.425 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.997 -10.086 -3.218 1.00 0.00 H new ATOM 690 N TYR A 45 4.656 -6.716 -2.663 1.00 0.00 N ATOM 691 CA TYR A 45 5.768 -5.803 -2.899 1.00 0.00 C ATOM 692 C TYR A 45 7.025 -6.501 -3.399 1.00 0.00 C ATOM 693 O TYR A 45 7.304 -7.650 -3.057 1.00 0.00 O ATOM 694 CB TYR A 45 6.048 -4.997 -1.622 1.00 0.00 C ATOM 695 CG TYR A 45 7.503 -4.729 -1.299 1.00 0.00 C ATOM 696 CD1 TYR A 45 8.400 -5.760 -1.030 1.00 0.00 C ATOM 697 CD2 TYR A 45 7.970 -3.422 -1.250 1.00 0.00 C ATOM 698 CE1 TYR A 45 9.721 -5.493 -0.725 1.00 0.00 C ATOM 699 CE2 TYR A 45 9.288 -3.150 -0.942 1.00 0.00 C ATOM 700 CZ TYR A 45 10.158 -4.186 -0.681 1.00 0.00 C ATOM 701 OH TYR A 45 11.472 -3.915 -0.374 1.00 0.00 O ATOM 0 H TYR A 45 4.664 -7.172 -1.750 1.00 0.00 H new ATOM 0 HA TYR A 45 5.472 -5.127 -3.701 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.534 -4.039 -1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.603 -5.527 -0.780 1.00 0.00 H new ATOM 0 HD1 TYR A 45 8.058 -6.784 -1.060 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.292 -2.607 -1.456 1.00 0.00 H new ATOM 0 HE1 TYR A 45 10.407 -6.303 -0.522 1.00 0.00 H new ATOM 0 HE2 TYR A 45 9.636 -2.128 -0.906 1.00 0.00 H new ATOM 0 HH TYR A 45 12.023 -4.700 -0.573 1.00 0.00 H new ATOM 711 N ASP A 46 7.782 -5.764 -4.203 1.00 0.00 N ATOM 712 CA ASP A 46 9.032 -6.246 -4.763 1.00 0.00 C ATOM 713 C ASP A 46 10.205 -5.605 -4.037 1.00 0.00 C ATOM 714 O ASP A 46 10.052 -4.572 -3.383 1.00 0.00 O ATOM 715 CB ASP A 46 9.097 -5.915 -6.249 1.00 0.00 C ATOM 716 CG ASP A 46 9.464 -7.119 -7.092 1.00 0.00 C ATOM 717 OD1 ASP A 46 10.639 -7.550 -7.042 1.00 0.00 O ATOM 718 OD2 ASP A 46 8.580 -7.636 -7.807 1.00 0.00 O ATOM 0 H ASP A 46 7.543 -4.813 -4.484 1.00 0.00 H new ATOM 0 HA ASP A 46 9.084 -7.328 -4.638 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.132 -5.527 -6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.830 -5.124 -6.411 1.00 0.00 H new ATOM 723 N ASP A 47 11.377 -6.205 -4.173 1.00 0.00 N ATOM 724 CA ASP A 47 12.580 -5.686 -3.548 1.00 0.00 C ATOM 725 C ASP A 47 13.344 -4.854 -4.557 1.00 0.00 C ATOM 726 O ASP A 47 13.972 -3.849 -4.227 1.00 0.00 O ATOM 727 CB ASP A 47 13.444 -6.842 -3.060 1.00 0.00 C ATOM 728 CG ASP A 47 13.698 -6.791 -1.566 1.00 0.00 C ATOM 729 OD1 ASP A 47 14.068 -5.710 -1.063 1.00 0.00 O ATOM 730 OD2 ASP A 47 13.527 -7.835 -0.900 1.00 0.00 O ATOM 0 H ASP A 47 11.519 -7.057 -4.715 1.00 0.00 H new ATOM 0 HA ASP A 47 12.313 -5.063 -2.695 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.958 -7.785 -3.310 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.398 -6.826 -3.588 1.00 0.00 H new ATOM 735 N ALA A 48 13.255 -5.290 -5.793 1.00 0.00 N ATOM 736 CA ALA A 48 13.903 -4.630 -6.910 1.00 0.00 C ATOM 737 C ALA A 48 13.387 -3.205 -7.053 1.00 0.00 C ATOM 738 O ALA A 48 14.130 -2.290 -7.405 1.00 0.00 O ATOM 739 CB ALA A 48 13.622 -5.414 -8.169 1.00 0.00 C ATOM 0 H ALA A 48 12.726 -6.121 -6.057 1.00 0.00 H new ATOM 0 HA ALA A 48 14.978 -4.588 -6.736 1.00 0.00 H new ATOM 0 HB1 ALA A 48 14.105 -4.927 -9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.012 -6.426 -8.062 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.546 -5.456 -8.339 1.00 0.00 H new ATOM 745 N THR A 49 12.099 -3.042 -6.790 1.00 0.00 N ATOM 746 CA THR A 49 11.448 -1.744 -6.898 1.00 0.00 C ATOM 747 C THR A 49 11.295 -1.080 -5.532 1.00 0.00 C ATOM 748 O THR A 49 11.469 0.132 -5.403 1.00 0.00 O ATOM 749 CB THR A 49 10.074 -1.906 -7.548 1.00 0.00 C ATOM 750 OG1 THR A 49 9.143 -2.440 -6.622 1.00 0.00 O ATOM 751 CG2 THR A 49 10.090 -2.816 -8.755 1.00 0.00 C ATOM 0 H THR A 49 11.480 -3.798 -6.498 1.00 0.00 H new ATOM 0 HA THR A 49 12.076 -1.104 -7.517 1.00 0.00 H new ATOM 0 HB THR A 49 9.784 -0.905 -7.869 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.260 -2.045 -6.781 1.00 0.00 H new ATOM 0 HG21 THR A 49 9.084 -2.889 -9.169 1.00 0.00 H new ATOM 0 HG22 THR A 49 10.764 -2.409 -9.508 1.00 0.00 H new ATOM 0 HG23 THR A 49 10.433 -3.807 -8.459 1.00 0.00 H new ATOM 759 N LYS A 50 10.942 -1.880 -4.526 1.00 0.00 N ATOM 760 CA LYS A 50 10.733 -1.384 -3.167 1.00 0.00 C ATOM 761 C LYS A 50 9.337 -0.801 -3.063 1.00 0.00 C ATOM 762 O LYS A 50 9.108 0.250 -2.451 1.00 0.00 O ATOM 763 CB LYS A 50 11.770 -0.332 -2.795 1.00 0.00 C ATOM 764 CG LYS A 50 13.183 -0.700 -3.217 1.00 0.00 C ATOM 765 CD LYS A 50 13.897 0.473 -3.872 1.00 0.00 C ATOM 766 CE LYS A 50 15.404 0.310 -3.799 1.00 0.00 C ATOM 767 NZ LYS A 50 15.863 -0.952 -4.437 1.00 0.00 N ATOM 0 H LYS A 50 10.794 -2.884 -4.629 1.00 0.00 H new ATOM 0 HA LYS A 50 10.842 -2.215 -2.470 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.496 0.616 -3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 50 11.750 -0.178 -1.716 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.749 -1.030 -2.346 1.00 0.00 H new ATOM 0 HG3 LYS A 50 13.149 -1.539 -3.912 1.00 0.00 H new ATOM 0 HD2 LYS A 50 13.588 0.554 -4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.605 1.401 -3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.884 1.158 -4.288 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.719 0.323 -2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 16.900 -0.944 -4.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 15.566 -1.762 -3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 15.444 -1.034 -5.385 1.00 0.00 H new ATOM 781 N THR A 51 8.410 -1.485 -3.705 1.00 0.00 N ATOM 782 CA THR A 51 7.033 -1.048 -3.737 1.00 0.00 C ATOM 783 C THR A 51 6.071 -2.206 -3.547 1.00 0.00 C ATOM 784 O THR A 51 6.399 -3.350 -3.850 1.00 0.00 O ATOM 785 CB THR A 51 6.771 -0.350 -5.060 1.00 0.00 C ATOM 786 OG1 THR A 51 6.998 -1.226 -6.149 1.00 0.00 O ATOM 787 CG2 THR A 51 7.649 0.863 -5.248 1.00 0.00 C ATOM 0 H THR A 51 8.590 -2.351 -4.214 1.00 0.00 H new ATOM 0 HA THR A 51 6.866 -0.357 -2.911 1.00 0.00 H new ATOM 0 HB THR A 51 5.727 -0.037 -5.034 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.822 -0.755 -6.990 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.426 1.329 -6.208 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.460 1.576 -4.446 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.696 0.561 -5.226 1.00 0.00 H new ATOM 795 N PHE A 52 4.880 -1.893 -3.053 1.00 0.00 N ATOM 796 CA PHE A 52 3.852 -2.896 -2.826 1.00 0.00 C ATOM 797 C PHE A 52 2.562 -2.488 -3.523 1.00 0.00 C ATOM 798 O PHE A 52 2.310 -1.306 -3.734 1.00 0.00 O ATOM 799 CB PHE A 52 3.597 -3.108 -1.321 1.00 0.00 C ATOM 800 CG PHE A 52 4.592 -2.435 -0.405 1.00 0.00 C ATOM 801 CD1 PHE A 52 4.798 -1.066 -0.451 1.00 0.00 C ATOM 802 CD2 PHE A 52 5.335 -3.187 0.493 1.00 0.00 C ATOM 803 CE1 PHE A 52 5.723 -0.466 0.378 1.00 0.00 C ATOM 804 CE2 PHE A 52 6.261 -2.592 1.317 1.00 0.00 C ATOM 805 CZ PHE A 52 6.457 -1.233 1.262 1.00 0.00 C ATOM 0 H PHE A 52 4.602 -0.944 -2.801 1.00 0.00 H new ATOM 0 HA PHE A 52 4.204 -3.840 -3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.599 -2.741 -1.081 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.601 -4.178 -1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.229 -0.463 -1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 52 5.184 -4.255 0.546 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.873 0.603 0.336 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.834 -3.193 2.007 1.00 0.00 H new ATOM 0 HZ PHE A 52 7.184 -0.765 1.909 1.00 0.00 H new ATOM 815 N THR A 53 1.750 -3.470 -3.888 1.00 0.00 N ATOM 816 CA THR A 53 0.493 -3.201 -4.558 1.00 0.00 C ATOM 817 C THR A 53 -0.651 -3.889 -3.816 1.00 0.00 C ATOM 818 O THR A 53 -0.840 -5.095 -3.955 1.00 0.00 O ATOM 819 CB THR A 53 0.573 -3.688 -6.008 1.00 0.00 C ATOM 820 OG1 THR A 53 1.371 -2.817 -6.791 1.00 0.00 O ATOM 821 CG2 THR A 53 -0.773 -3.801 -6.677 1.00 0.00 C ATOM 0 H THR A 53 1.942 -4.459 -3.730 1.00 0.00 H new ATOM 0 HA THR A 53 0.301 -2.128 -4.560 1.00 0.00 H new ATOM 0 HB THR A 53 1.016 -4.682 -5.950 1.00 0.00 H new ATOM 0 HG1 THR A 53 1.409 -3.148 -7.713 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.642 -4.151 -7.701 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.394 -4.509 -6.128 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.258 -2.825 -6.686 1.00 0.00 H new ATOM 829 N VAL A 54 -1.417 -3.123 -3.031 1.00 0.00 N ATOM 830 CA VAL A 54 -2.531 -3.690 -2.272 1.00 0.00 C ATOM 831 C VAL A 54 -3.710 -3.988 -3.186 1.00 0.00 C ATOM 832 O VAL A 54 -4.514 -3.119 -3.501 1.00 0.00 O ATOM 833 CB VAL A 54 -2.968 -2.757 -1.107 1.00 0.00 C ATOM 834 CG1 VAL A 54 -4.473 -2.805 -0.861 1.00 0.00 C ATOM 835 CG2 VAL A 54 -2.226 -3.125 0.164 1.00 0.00 C ATOM 0 H VAL A 54 -1.286 -2.119 -2.907 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.183 -4.626 -1.834 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.716 -1.737 -1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.729 -2.137 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.999 -2.489 -1.762 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.768 -3.823 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.540 -2.465 0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.451 -4.158 0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.153 -3.017 0.003 1.00 0.00 H new ATOM 845 N GLN A 55 -3.796 -5.232 -3.612 1.00 0.00 N ATOM 846 CA GLN A 55 -4.862 -5.656 -4.501 1.00 0.00 C ATOM 847 C GLN A 55 -5.887 -6.510 -3.764 1.00 0.00 C ATOM 848 O GLN A 55 -5.537 -7.470 -3.078 1.00 0.00 O ATOM 849 CB GLN A 55 -4.284 -6.438 -5.678 1.00 0.00 C ATOM 850 CG GLN A 55 -3.492 -5.592 -6.657 1.00 0.00 C ATOM 851 CD GLN A 55 -3.694 -6.028 -8.096 1.00 0.00 C ATOM 852 OE1 GLN A 55 -4.703 -5.705 -8.720 1.00 0.00 O ATOM 853 NE2 GLN A 55 -2.729 -6.770 -8.631 1.00 0.00 N ATOM 0 H GLN A 55 -3.139 -5.970 -3.357 1.00 0.00 H new ATOM 0 HA GLN A 55 -5.366 -4.764 -4.873 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.639 -7.228 -5.293 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -5.100 -6.924 -6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.787 -4.548 -6.552 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.432 -5.650 -6.408 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.908 -7.015 -8.078 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.810 -7.094 -9.595 1.00 0.00 H new ATOM 862 N ALA A 56 -7.154 -6.152 -3.919 1.00 0.00 N ATOM 863 CA ALA A 56 -8.241 -6.881 -3.276 1.00 0.00 C ATOM 864 C ALA A 56 -8.953 -7.793 -4.270 1.00 0.00 C ATOM 865 O ALA A 56 -9.215 -8.961 -3.917 1.00 0.00 O ATOM 866 CB ALA A 56 -9.230 -5.910 -2.648 1.00 0.00 C ATOM 867 OXT ALA A 56 -9.240 -7.330 -5.394 1.00 0.00 O ATOM 0 H ALA A 56 -7.456 -5.359 -4.486 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.812 -7.504 -2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.036 -6.469 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -8.719 -5.302 -1.901 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.645 -5.262 -3.421 1.00 0.00 H new TER 873 ALA A 56