USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 412 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 ASN : amide:sc= -0.391 K(o=-0.39,f=-4!) USER MOD Set 1.2: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 44 THR OG1 : rot 17:sc= -0.505 USER MOD Set 2.2: A 53 THR OG1 : rot 170:sc= -0.0731! USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc=-0.00276 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 39:sc= -0.502 USER MOD Single : A 25 THR OG1 : rot -160:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.918 K(o=-0.92,f=-2.2!) USER MOD Single : A 37 ASN : amide:sc= -0.0651 K(o=-0.065,f=-3.9!) USER MOD Single : A 45 TYR OH : rot 100:sc= -1.05 USER MOD Single : A 49 THR OG1 : rot -42:sc= 1.01 USER MOD Single : A 50 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0362) USER MOD Single : A 51 THR OG1 : rot -38:sc= -3.36! USER MOD ----------------------------------------------------------------- ATOM 31 N PHE A 3 8.808 1.915 3.127 1.00 0.00 N ATOM 32 CA PHE A 3 7.710 2.219 2.157 1.00 0.00 C ATOM 33 C PHE A 3 6.427 2.576 2.914 1.00 0.00 C ATOM 34 O PHE A 3 6.292 2.284 4.086 1.00 0.00 O ATOM 35 CB PHE A 3 7.523 0.934 1.341 1.00 0.00 C ATOM 36 CG PHE A 3 8.818 0.580 0.640 1.00 0.00 C ATOM 37 CD1 PHE A 3 9.474 1.534 -0.150 1.00 0.00 C ATOM 38 CD2 PHE A 3 9.363 -0.703 0.783 1.00 0.00 C ATOM 39 CE1 PHE A 3 10.673 1.205 -0.793 1.00 0.00 C ATOM 40 CE2 PHE A 3 10.562 -1.030 0.138 1.00 0.00 C ATOM 41 CZ PHE A 3 11.217 -0.076 -0.649 1.00 0.00 C ATOM 0 HA PHE A 3 7.947 3.068 1.516 1.00 0.00 H new ATOM 0 HB2 PHE A 3 7.218 0.118 1.996 1.00 0.00 H new ATOM 0 HB3 PHE A 3 6.727 1.070 0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 3 9.054 2.523 -0.263 1.00 0.00 H new ATOM 0 HD2 PHE A 3 8.858 -1.440 1.391 1.00 0.00 H new ATOM 0 HE1 PHE A 3 11.179 1.941 -1.401 1.00 0.00 H new ATOM 0 HE2 PHE A 3 10.982 -2.019 0.248 1.00 0.00 H new ATOM 0 HZ PHE A 3 12.142 -0.329 -1.145 1.00 0.00 H new ATOM 51 N LYS A 4 5.491 3.214 2.255 1.00 0.00 N ATOM 52 CA LYS A 4 4.219 3.600 2.939 1.00 0.00 C ATOM 53 C LYS A 4 3.019 3.375 2.015 1.00 0.00 C ATOM 54 O LYS A 4 3.133 3.458 0.810 1.00 0.00 O ATOM 55 CB LYS A 4 4.373 5.093 3.241 1.00 0.00 C ATOM 56 CG LYS A 4 3.411 5.496 4.361 1.00 0.00 C ATOM 57 CD LYS A 4 3.362 7.026 4.474 1.00 0.00 C ATOM 58 CE LYS A 4 1.989 7.536 4.026 1.00 0.00 C ATOM 59 NZ LYS A 4 2.015 9.000 4.298 1.00 0.00 N ATOM 0 H LYS A 4 5.553 3.484 1.273 1.00 0.00 H new ATOM 0 HA LYS A 4 4.045 3.007 3.837 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.400 5.310 3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.168 5.678 2.344 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.415 5.105 4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.736 5.062 5.307 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.555 7.330 5.503 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.144 7.470 3.858 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.819 7.334 2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.187 7.046 4.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.107 9.422 4.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.172 9.162 5.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.784 9.441 3.754 1.00 0.00 H new ATOM 73 N LEU A 5 1.868 3.108 2.579 1.00 0.00 N ATOM 74 CA LEU A 5 0.644 2.898 1.748 1.00 0.00 C ATOM 75 C LEU A 5 -0.591 3.330 2.541 1.00 0.00 C ATOM 76 O LEU A 5 -0.709 3.051 3.719 1.00 0.00 O ATOM 77 CB LEU A 5 0.590 1.394 1.450 1.00 0.00 C ATOM 78 CG LEU A 5 -0.129 1.153 0.108 1.00 0.00 C ATOM 79 CD1 LEU A 5 0.695 0.203 -0.770 1.00 0.00 C ATOM 80 CD2 LEU A 5 -1.507 0.533 0.366 1.00 0.00 C ATOM 0 H LEU A 5 1.723 3.026 3.585 1.00 0.00 H new ATOM 0 HA LEU A 5 0.668 3.481 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.600 0.985 1.411 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.067 0.874 2.252 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.244 2.108 -0.405 1.00 0.00 H new ATOM 0 HD11 LEU A 5 0.177 0.040 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.673 0.643 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 5 0.821 -0.750 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.013 0.364 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -1.387 -0.417 0.888 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.102 1.211 0.978 1.00 0.00 H new ATOM 92 N ILE A 6 -1.506 4.014 1.905 1.00 0.00 N ATOM 93 CA ILE A 6 -2.733 4.476 2.619 1.00 0.00 C ATOM 94 C ILE A 6 -3.951 3.671 2.153 1.00 0.00 C ATOM 95 O ILE A 6 -4.138 3.435 0.975 1.00 0.00 O ATOM 96 CB ILE A 6 -2.866 5.955 2.236 1.00 0.00 C ATOM 97 CG1 ILE A 6 -1.637 6.725 2.750 1.00 0.00 C ATOM 98 CG2 ILE A 6 -4.145 6.549 2.844 1.00 0.00 C ATOM 99 CD1 ILE A 6 -1.559 6.653 4.280 1.00 0.00 C ATOM 0 H ILE A 6 -1.456 4.273 0.920 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.671 4.340 3.699 1.00 0.00 H new ATOM 0 HB ILE A 6 -2.924 6.040 1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.730 6.307 2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.693 7.766 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.227 7.599 2.564 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.012 6.005 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.105 6.465 3.930 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.684 7.203 4.626 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.458 7.093 4.711 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.480 5.612 4.592 1.00 0.00 H new ATOM 111 N ILE A 7 -4.777 3.249 3.077 1.00 0.00 N ATOM 112 CA ILE A 7 -5.987 2.457 2.706 1.00 0.00 C ATOM 113 C ILE A 7 -7.155 3.399 2.396 1.00 0.00 C ATOM 114 O ILE A 7 -7.636 4.109 3.259 1.00 0.00 O ATOM 115 CB ILE A 7 -6.297 1.597 3.938 1.00 0.00 C ATOM 116 CG1 ILE A 7 -5.099 0.693 4.247 1.00 0.00 C ATOM 117 CG2 ILE A 7 -7.526 0.727 3.664 1.00 0.00 C ATOM 118 CD1 ILE A 7 -5.309 0.014 5.602 1.00 0.00 C ATOM 0 H ILE A 7 -4.664 3.420 4.076 1.00 0.00 H new ATOM 0 HA ILE A 7 -5.826 1.846 1.818 1.00 0.00 H new ATOM 0 HB ILE A 7 -6.494 2.249 4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.985 -0.058 3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -4.181 1.280 4.261 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -7.743 0.118 4.541 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -8.382 1.365 3.445 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.329 0.078 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.457 -0.629 5.823 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.401 0.773 6.379 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -6.218 -0.586 5.571 1.00 0.00 H new ATOM 130 N ASN A 8 -7.611 3.406 1.170 1.00 0.00 N ATOM 131 CA ASN A 8 -8.749 4.296 0.793 1.00 0.00 C ATOM 132 C ASN A 8 -9.997 3.457 0.509 1.00 0.00 C ATOM 133 O ASN A 8 -10.599 3.558 -0.543 1.00 0.00 O ATOM 134 CB ASN A 8 -8.283 5.020 -0.472 1.00 0.00 C ATOM 135 CG ASN A 8 -7.362 6.184 -0.093 1.00 0.00 C ATOM 136 OD1 ASN A 8 -6.853 6.243 1.009 1.00 0.00 O ATOM 137 ND2 ASN A 8 -7.123 7.121 -0.970 1.00 0.00 N ATOM 0 H ASN A 8 -7.243 2.832 0.412 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.011 4.996 1.586 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.756 4.326 -1.127 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.144 5.391 -1.028 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -6.510 7.900 -0.730 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.549 7.074 -1.896 1.00 0.00 H new ATOM 144 N GLY A 9 -10.384 2.628 1.445 1.00 0.00 N ATOM 145 CA GLY A 9 -11.590 1.773 1.243 1.00 0.00 C ATOM 146 C GLY A 9 -12.853 2.605 1.468 1.00 0.00 C ATOM 147 O GLY A 9 -12.820 3.638 2.110 1.00 0.00 O ATOM 0 H GLY A 9 -9.915 2.507 2.342 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.590 1.359 0.235 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.570 0.930 1.934 1.00 0.00 H new ATOM 151 N LYS A 10 -13.967 2.161 0.940 1.00 0.00 N ATOM 152 CA LYS A 10 -15.245 2.917 1.112 1.00 0.00 C ATOM 153 C LYS A 10 -15.545 3.146 2.598 1.00 0.00 C ATOM 154 O LYS A 10 -16.213 4.095 2.966 1.00 0.00 O ATOM 155 CB LYS A 10 -16.324 2.036 0.479 1.00 0.00 C ATOM 156 CG LYS A 10 -16.129 2.000 -1.040 1.00 0.00 C ATOM 157 CD LYS A 10 -17.065 3.013 -1.702 1.00 0.00 C ATOM 158 CE LYS A 10 -16.694 3.162 -3.180 1.00 0.00 C ATOM 159 NZ LYS A 10 -17.317 4.446 -3.605 1.00 0.00 N ATOM 0 H LYS A 10 -14.046 1.303 0.394 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.197 3.902 0.647 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.270 1.027 0.887 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -17.313 2.425 0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -15.093 2.230 -1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -16.333 0.999 -1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.100 2.684 -1.607 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.990 3.977 -1.198 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.613 3.184 -3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -17.072 2.326 -3.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.107 4.618 -4.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.347 4.393 -3.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -16.933 5.225 -3.032 1.00 0.00 H new ATOM 173 N THR A 11 -15.055 2.282 3.451 1.00 0.00 N ATOM 174 CA THR A 11 -15.304 2.440 4.915 1.00 0.00 C ATOM 175 C THR A 11 -14.005 2.231 5.699 1.00 0.00 C ATOM 176 O THR A 11 -13.698 2.971 6.615 1.00 0.00 O ATOM 177 CB THR A 11 -16.321 1.353 5.263 1.00 0.00 C ATOM 178 OG1 THR A 11 -17.357 1.347 4.291 1.00 0.00 O ATOM 179 CG2 THR A 11 -16.915 1.631 6.645 1.00 0.00 C ATOM 0 H THR A 11 -14.491 1.471 3.195 1.00 0.00 H new ATOM 0 HA THR A 11 -15.669 3.436 5.166 1.00 0.00 H new ATOM 0 HB THR A 11 -15.827 0.382 5.272 1.00 0.00 H new ATOM 0 HG1 THR A 11 -18.009 0.649 4.512 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.640 0.855 6.892 1.00 0.00 H new ATOM 0 HG22 THR A 11 -16.119 1.634 7.389 1.00 0.00 H new ATOM 0 HG23 THR A 11 -17.410 2.602 6.640 1.00 0.00 H new ATOM 187 N LEU A 12 -13.243 1.227 5.345 1.00 0.00 N ATOM 188 CA LEU A 12 -11.961 0.961 6.066 1.00 0.00 C ATOM 189 C LEU A 12 -10.861 1.892 5.548 1.00 0.00 C ATOM 190 O LEU A 12 -10.821 2.226 4.378 1.00 0.00 O ATOM 191 CB LEU A 12 -11.621 -0.497 5.751 1.00 0.00 C ATOM 192 CG LEU A 12 -12.721 -1.409 6.296 1.00 0.00 C ATOM 193 CD1 LEU A 12 -12.780 -2.692 5.465 1.00 0.00 C ATOM 194 CD2 LEU A 12 -12.415 -1.761 7.753 1.00 0.00 C ATOM 0 H LEU A 12 -13.454 0.579 4.586 1.00 0.00 H new ATOM 0 HA LEU A 12 -12.048 1.136 7.138 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.522 -0.633 4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.662 -0.762 6.196 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.680 -0.894 6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.564 -3.342 5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.997 -2.443 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.821 -3.207 5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -13.198 -2.411 8.143 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.456 -2.275 7.809 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.373 -0.848 8.347 1.00 0.00 H new ATOM 206 N LYS A 13 -9.970 2.309 6.411 1.00 0.00 N ATOM 207 CA LYS A 13 -8.868 3.219 5.977 1.00 0.00 C ATOM 208 C LYS A 13 -7.671 3.093 6.924 1.00 0.00 C ATOM 209 O LYS A 13 -7.636 2.229 7.781 1.00 0.00 O ATOM 210 CB LYS A 13 -9.463 4.626 6.051 1.00 0.00 C ATOM 211 CG LYS A 13 -10.307 4.890 4.802 1.00 0.00 C ATOM 212 CD LYS A 13 -10.495 6.397 4.621 1.00 0.00 C ATOM 213 CE LYS A 13 -10.825 6.699 3.157 1.00 0.00 C ATOM 214 NZ LYS A 13 -11.826 7.800 3.209 1.00 0.00 N ATOM 0 H LYS A 13 -9.958 2.058 7.400 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.507 2.980 4.977 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.077 4.726 6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.666 5.366 6.127 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.819 4.466 3.924 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.277 4.401 4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.297 6.754 5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.589 6.925 4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.935 7.000 2.605 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.230 5.821 2.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.103 8.064 2.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -12.665 7.482 3.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.410 8.625 3.687 1.00 0.00 H new ATOM 228 N GLY A 14 -6.692 3.949 6.773 1.00 0.00 N ATOM 229 CA GLY A 14 -5.493 3.889 7.660 1.00 0.00 C ATOM 230 C GLY A 14 -4.224 3.840 6.806 1.00 0.00 C ATOM 231 O GLY A 14 -4.278 3.606 5.613 1.00 0.00 O ATOM 0 H GLY A 14 -6.673 4.689 6.071 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.469 4.760 8.315 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.546 3.009 8.301 1.00 0.00 H new ATOM 235 N GLU A 15 -3.085 4.060 7.411 1.00 0.00 N ATOM 236 CA GLU A 15 -1.802 4.028 6.644 1.00 0.00 C ATOM 237 C GLU A 15 -0.980 2.797 7.038 1.00 0.00 C ATOM 238 O GLU A 15 -1.255 2.154 8.034 1.00 0.00 O ATOM 239 CB GLU A 15 -1.068 5.319 7.030 1.00 0.00 C ATOM 240 CG GLU A 15 -0.852 5.373 8.549 1.00 0.00 C ATOM 241 CD GLU A 15 0.496 6.029 8.852 1.00 0.00 C ATOM 242 OE1 GLU A 15 0.633 7.210 8.577 1.00 0.00 O ATOM 243 OE2 GLU A 15 1.369 5.340 9.353 1.00 0.00 O ATOM 0 H GLU A 15 -2.987 4.261 8.406 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.967 3.966 5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.107 5.367 6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.646 6.185 6.707 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.657 5.937 9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.880 4.367 8.967 1.00 0.00 H new ATOM 250 N THR A 16 0.025 2.466 6.266 1.00 0.00 N ATOM 251 CA THR A 16 0.866 1.274 6.599 1.00 0.00 C ATOM 252 C THR A 16 2.229 1.359 5.905 1.00 0.00 C ATOM 253 O THR A 16 2.361 1.941 4.845 1.00 0.00 O ATOM 254 CB THR A 16 0.075 0.064 6.089 1.00 0.00 C ATOM 255 OG1 THR A 16 0.815 -1.122 6.344 1.00 0.00 O ATOM 256 CG2 THR A 16 -0.177 0.194 4.584 1.00 0.00 C ATOM 0 H THR A 16 0.299 2.968 5.421 1.00 0.00 H new ATOM 0 HA THR A 16 1.066 1.207 7.668 1.00 0.00 H new ATOM 0 HB THR A 16 -0.884 0.020 6.606 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.311 -1.898 6.021 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.740 -0.671 4.233 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.748 1.102 4.388 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.777 0.244 4.058 1.00 0.00 H new ATOM 264 N THR A 17 3.239 0.775 6.498 1.00 0.00 N ATOM 265 CA THR A 17 4.600 0.807 5.884 1.00 0.00 C ATOM 266 C THR A 17 5.263 -0.564 6.007 1.00 0.00 C ATOM 267 O THR A 17 4.896 -1.364 6.847 1.00 0.00 O ATOM 268 CB THR A 17 5.386 1.841 6.691 1.00 0.00 C ATOM 269 OG1 THR A 17 5.451 1.426 8.048 1.00 0.00 O ATOM 270 CG2 THR A 17 4.702 3.207 6.606 1.00 0.00 C ATOM 0 H THR A 17 3.179 0.275 7.385 1.00 0.00 H new ATOM 0 HA THR A 17 4.562 1.059 4.824 1.00 0.00 H new ATOM 0 HB THR A 17 6.393 1.924 6.282 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.956 2.086 8.568 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.271 3.935 7.184 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.656 3.527 5.565 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.692 3.134 7.008 1.00 0.00 H new ATOM 278 N THR A 18 6.237 -0.839 5.178 1.00 0.00 N ATOM 279 CA THR A 18 6.928 -2.151 5.244 1.00 0.00 C ATOM 280 C THR A 18 8.429 -1.952 4.954 1.00 0.00 C ATOM 281 O THR A 18 8.861 -0.885 4.561 1.00 0.00 O ATOM 282 CB THR A 18 6.196 -3.014 4.178 1.00 0.00 C ATOM 283 OG1 THR A 18 5.398 -3.981 4.844 1.00 0.00 O ATOM 284 CG2 THR A 18 7.178 -3.738 3.253 1.00 0.00 C ATOM 0 H THR A 18 6.581 -0.205 4.457 1.00 0.00 H new ATOM 0 HA THR A 18 6.888 -2.637 6.219 1.00 0.00 H new ATOM 0 HB THR A 18 5.585 -2.349 3.567 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.986 -3.576 5.635 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.623 -4.329 2.524 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.795 -3.006 2.732 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.816 -4.396 3.843 1.00 0.00 H new ATOM 292 N GLU A 19 9.210 -2.985 5.134 1.00 0.00 N ATOM 293 CA GLU A 19 10.673 -2.887 4.860 1.00 0.00 C ATOM 294 C GLU A 19 11.072 -3.959 3.844 1.00 0.00 C ATOM 295 O GLU A 19 10.827 -5.134 4.047 1.00 0.00 O ATOM 296 CB GLU A 19 11.350 -3.142 6.207 1.00 0.00 C ATOM 297 CG GLU A 19 12.866 -3.007 6.048 1.00 0.00 C ATOM 298 CD GLU A 19 13.529 -3.040 7.426 1.00 0.00 C ATOM 299 OE1 GLU A 19 13.675 -4.125 7.966 1.00 0.00 O ATOM 300 OE2 GLU A 19 13.879 -1.981 7.919 1.00 0.00 O ATOM 0 H GLU A 19 8.894 -3.898 5.461 1.00 0.00 H new ATOM 0 HA GLU A 19 10.960 -1.921 4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.986 -2.431 6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.099 -4.139 6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.251 -3.817 5.428 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.107 -2.074 5.539 1.00 0.00 H new ATOM 307 N ALA A 20 11.671 -3.565 2.750 1.00 0.00 N ATOM 308 CA ALA A 20 12.072 -4.564 1.715 1.00 0.00 C ATOM 309 C ALA A 20 13.117 -3.973 0.766 1.00 0.00 C ATOM 310 O ALA A 20 13.455 -2.807 0.846 1.00 0.00 O ATOM 311 CB ALA A 20 10.781 -4.873 0.957 1.00 0.00 C ATOM 0 H ALA A 20 11.900 -2.596 2.529 1.00 0.00 H new ATOM 0 HA ALA A 20 12.521 -5.454 2.156 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.985 -5.603 0.173 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.042 -5.279 1.648 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.394 -3.958 0.509 1.00 0.00 H new ATOM 317 N VAL A 21 13.629 -4.777 -0.132 1.00 0.00 N ATOM 318 CA VAL A 21 14.657 -4.278 -1.099 1.00 0.00 C ATOM 319 C VAL A 21 14.098 -3.108 -1.919 1.00 0.00 C ATOM 320 O VAL A 21 14.783 -2.138 -2.180 1.00 0.00 O ATOM 321 CB VAL A 21 14.979 -5.474 -2.008 1.00 0.00 C ATOM 322 CG1 VAL A 21 15.530 -6.623 -1.162 1.00 0.00 C ATOM 323 CG2 VAL A 21 13.711 -5.945 -2.736 1.00 0.00 C ATOM 0 H VAL A 21 13.379 -5.760 -0.238 1.00 0.00 H new ATOM 0 HA VAL A 21 15.548 -3.908 -0.591 1.00 0.00 H new ATOM 0 HB VAL A 21 15.721 -5.167 -2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 21 15.759 -7.472 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.438 -6.298 -0.654 1.00 0.00 H new ATOM 0 HG13 VAL A 21 14.786 -6.919 -0.422 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.953 -6.793 -3.377 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.962 -6.246 -2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.317 -5.131 -3.345 1.00 0.00 H new ATOM 333 N ASP A 22 12.855 -3.197 -2.319 1.00 0.00 N ATOM 334 CA ASP A 22 12.232 -2.100 -3.118 1.00 0.00 C ATOM 335 C ASP A 22 10.728 -2.057 -2.842 1.00 0.00 C ATOM 336 O ASP A 22 10.149 -3.024 -2.382 1.00 0.00 O ATOM 337 CB ASP A 22 12.493 -2.463 -4.583 1.00 0.00 C ATOM 338 CG ASP A 22 13.999 -2.534 -4.842 1.00 0.00 C ATOM 339 OD1 ASP A 22 14.558 -3.606 -4.680 1.00 0.00 O ATOM 340 OD2 ASP A 22 14.568 -1.515 -5.197 1.00 0.00 O ATOM 0 H ASP A 22 12.241 -3.988 -2.125 1.00 0.00 H new ATOM 0 HA ASP A 22 12.642 -1.122 -2.868 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.029 -3.421 -4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 22 12.037 -1.720 -5.237 1.00 0.00 H new ATOM 345 N ALA A 23 10.092 -0.948 -3.120 1.00 0.00 N ATOM 346 CA ALA A 23 8.620 -0.845 -2.874 1.00 0.00 C ATOM 347 C ALA A 23 7.873 -1.889 -3.707 1.00 0.00 C ATOM 348 O ALA A 23 6.800 -2.332 -3.341 1.00 0.00 O ATOM 349 CB ALA A 23 8.231 0.570 -3.306 1.00 0.00 C ATOM 0 H ALA A 23 10.527 -0.110 -3.506 1.00 0.00 H new ATOM 0 HA ALA A 23 8.366 -1.028 -1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 23 7.162 0.716 -3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.785 1.297 -2.712 1.00 0.00 H new ATOM 0 HB3 ALA A 23 8.468 0.707 -4.361 1.00 0.00 H new ATOM 355 N ALA A 24 8.438 -2.294 -4.819 1.00 0.00 N ATOM 356 CA ALA A 24 7.766 -3.323 -5.672 1.00 0.00 C ATOM 357 C ALA A 24 7.595 -4.617 -4.872 1.00 0.00 C ATOM 358 O ALA A 24 6.539 -5.220 -4.868 1.00 0.00 O ATOM 359 CB ALA A 24 8.705 -3.545 -6.859 1.00 0.00 C ATOM 0 H ALA A 24 9.334 -1.957 -5.172 1.00 0.00 H new ATOM 0 HA ALA A 24 6.776 -3.008 -6.002 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.275 -4.290 -7.529 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.839 -2.607 -7.398 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.671 -3.897 -6.498 1.00 0.00 H new ATOM 365 N THR A 25 8.628 -5.032 -4.184 1.00 0.00 N ATOM 366 CA THR A 25 8.537 -6.279 -3.365 1.00 0.00 C ATOM 367 C THR A 25 7.586 -6.049 -2.184 1.00 0.00 C ATOM 368 O THR A 25 6.692 -6.842 -1.930 1.00 0.00 O ATOM 369 CB THR A 25 9.975 -6.549 -2.882 1.00 0.00 C ATOM 370 OG1 THR A 25 10.767 -6.965 -3.985 1.00 0.00 O ATOM 371 CG2 THR A 25 9.985 -7.649 -1.809 1.00 0.00 C ATOM 0 H THR A 25 9.532 -4.561 -4.154 1.00 0.00 H new ATOM 0 HA THR A 25 8.145 -7.127 -3.926 1.00 0.00 H new ATOM 0 HB THR A 25 10.380 -5.633 -2.452 1.00 0.00 H new ATOM 0 HG1 THR A 25 11.564 -7.433 -3.658 1.00 0.00 H new ATOM 0 HG21 THR A 25 11.009 -7.827 -1.479 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.380 -7.334 -0.959 1.00 0.00 H new ATOM 0 HG23 THR A 25 9.574 -8.568 -2.226 1.00 0.00 H new ATOM 379 N ALA A 26 7.774 -4.974 -1.457 1.00 0.00 N ATOM 380 CA ALA A 26 6.886 -4.702 -0.289 1.00 0.00 C ATOM 381 C ALA A 26 5.435 -4.588 -0.751 1.00 0.00 C ATOM 382 O ALA A 26 4.572 -5.296 -0.280 1.00 0.00 O ATOM 383 CB ALA A 26 7.359 -3.369 0.298 1.00 0.00 C ATOM 0 H ALA A 26 8.501 -4.278 -1.623 1.00 0.00 H new ATOM 0 HA ALA A 26 6.935 -5.503 0.448 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.745 -3.113 1.161 1.00 0.00 H new ATOM 0 HB2 ALA A 26 8.401 -3.457 0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 26 7.269 -2.587 -0.456 1.00 0.00 H new ATOM 389 N GLU A 27 5.169 -3.691 -1.672 1.00 0.00 N ATOM 390 CA GLU A 27 3.771 -3.486 -2.185 1.00 0.00 C ATOM 391 C GLU A 27 3.039 -4.817 -2.419 1.00 0.00 C ATOM 392 O GLU A 27 1.848 -4.920 -2.188 1.00 0.00 O ATOM 393 CB GLU A 27 3.943 -2.729 -3.504 1.00 0.00 C ATOM 394 CG GLU A 27 2.571 -2.355 -4.068 1.00 0.00 C ATOM 395 CD GLU A 27 2.670 -2.193 -5.586 1.00 0.00 C ATOM 396 OE1 GLU A 27 3.698 -1.723 -6.046 1.00 0.00 O ATOM 397 OE2 GLU A 27 1.717 -2.542 -6.262 1.00 0.00 O ATOM 0 H GLU A 27 5.869 -3.083 -2.097 1.00 0.00 H new ATOM 0 HA GLU A 27 3.163 -2.941 -1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.538 -1.830 -3.343 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.485 -3.346 -4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.842 -3.127 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.220 -1.428 -3.615 1.00 0.00 H new ATOM 404 N LYS A 28 3.743 -5.842 -2.842 1.00 0.00 N ATOM 405 CA LYS A 28 3.077 -7.166 -3.047 1.00 0.00 C ATOM 406 C LYS A 28 2.572 -7.662 -1.693 1.00 0.00 C ATOM 407 O LYS A 28 1.446 -8.102 -1.557 1.00 0.00 O ATOM 408 CB LYS A 28 4.161 -8.098 -3.593 1.00 0.00 C ATOM 409 CG LYS A 28 4.690 -7.553 -4.921 1.00 0.00 C ATOM 410 CD LYS A 28 6.121 -8.051 -5.138 1.00 0.00 C ATOM 411 CE LYS A 28 6.094 -9.346 -5.953 1.00 0.00 C ATOM 412 NZ LYS A 28 7.497 -9.540 -6.414 1.00 0.00 N ATOM 0 H LYS A 28 4.741 -5.818 -3.052 1.00 0.00 H new ATOM 0 HA LYS A 28 2.231 -7.116 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.976 -8.184 -2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.755 -9.099 -3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.051 -7.879 -5.742 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.669 -6.463 -4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.706 -7.293 -5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.607 -8.224 -4.178 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.758 -10.187 -5.347 1.00 0.00 H new ATOM 0 HE3 LYS A 28 5.409 -9.267 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.559 -10.410 -6.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.787 -8.727 -6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.126 -9.619 -5.589 1.00 0.00 H new ATOM 426 N VAL A 29 3.399 -7.553 -0.684 1.00 0.00 N ATOM 427 CA VAL A 29 2.976 -7.972 0.685 1.00 0.00 C ATOM 428 C VAL A 29 1.880 -7.018 1.166 1.00 0.00 C ATOM 429 O VAL A 29 0.955 -7.415 1.848 1.00 0.00 O ATOM 430 CB VAL A 29 4.251 -7.853 1.549 1.00 0.00 C ATOM 431 CG1 VAL A 29 3.903 -7.817 3.047 1.00 0.00 C ATOM 432 CG2 VAL A 29 5.156 -9.055 1.274 1.00 0.00 C ATOM 0 H VAL A 29 4.350 -7.191 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 29 2.571 -8.983 0.730 1.00 0.00 H new ATOM 0 HB VAL A 29 4.760 -6.925 1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.819 -7.733 3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.262 -6.959 3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.380 -8.733 3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.058 -8.978 1.881 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.627 -9.974 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.429 -9.071 0.219 1.00 0.00 H new ATOM 442 N LEU A 30 1.983 -5.759 0.822 1.00 0.00 N ATOM 443 CA LEU A 30 0.948 -4.786 1.266 1.00 0.00 C ATOM 444 C LEU A 30 -0.376 -5.152 0.602 1.00 0.00 C ATOM 445 O LEU A 30 -1.432 -5.007 1.180 1.00 0.00 O ATOM 446 CB LEU A 30 1.458 -3.409 0.810 1.00 0.00 C ATOM 447 CG LEU A 30 2.572 -2.846 1.741 1.00 0.00 C ATOM 448 CD1 LEU A 30 1.959 -2.087 2.911 1.00 0.00 C ATOM 449 CD2 LEU A 30 3.486 -3.940 2.309 1.00 0.00 C ATOM 0 H LEU A 30 2.736 -5.368 0.256 1.00 0.00 H new ATOM 0 HA LEU A 30 0.781 -4.788 2.343 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.844 -3.487 -0.206 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.624 -2.708 0.782 1.00 0.00 H new ATOM 0 HG LEU A 30 3.173 -2.183 1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.753 -1.701 3.550 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.362 -1.257 2.533 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.323 -2.759 3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.242 -3.486 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.892 -4.644 2.891 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.974 -4.468 1.490 1.00 0.00 H new ATOM 461 N LYS A 31 -0.314 -5.678 -0.598 1.00 0.00 N ATOM 462 CA LYS A 31 -1.563 -6.114 -1.295 1.00 0.00 C ATOM 463 C LYS A 31 -2.197 -7.228 -0.473 1.00 0.00 C ATOM 464 O LYS A 31 -3.388 -7.248 -0.229 1.00 0.00 O ATOM 465 CB LYS A 31 -1.102 -6.676 -2.640 1.00 0.00 C ATOM 466 CG LYS A 31 -2.236 -6.565 -3.666 1.00 0.00 C ATOM 467 CD LYS A 31 -3.288 -7.656 -3.408 1.00 0.00 C ATOM 468 CE LYS A 31 -2.632 -9.042 -3.478 1.00 0.00 C ATOM 469 NZ LYS A 31 -3.444 -9.814 -4.460 1.00 0.00 N ATOM 0 H LYS A 31 0.548 -5.824 -1.124 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.284 -5.306 -1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -0.227 -6.130 -2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -0.803 -7.718 -2.526 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.699 -5.580 -3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.836 -6.666 -4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.744 -7.509 -2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.087 -7.585 -4.146 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.593 -8.969 -3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.631 -9.526 -2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.052 -10.772 -4.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.427 -9.875 -4.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.421 -9.335 -5.383 1.00 0.00 H new ATOM 483 N GLN A 32 -1.382 -8.149 -0.026 1.00 0.00 N ATOM 484 CA GLN A 32 -1.893 -9.276 0.811 1.00 0.00 C ATOM 485 C GLN A 32 -2.639 -8.710 2.025 1.00 0.00 C ATOM 486 O GLN A 32 -3.689 -9.193 2.403 1.00 0.00 O ATOM 487 CB GLN A 32 -0.654 -10.046 1.250 1.00 0.00 C ATOM 488 CG GLN A 32 -0.402 -11.206 0.285 1.00 0.00 C ATOM 489 CD GLN A 32 0.858 -11.961 0.712 1.00 0.00 C ATOM 490 OE1 GLN A 32 0.825 -12.747 1.638 1.00 0.00 O ATOM 491 NE2 GLN A 32 1.977 -11.755 0.072 1.00 0.00 N ATOM 0 H GLN A 32 -0.378 -8.169 -0.206 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.588 -9.919 0.271 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.211 -9.382 1.271 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.789 -10.425 2.263 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.258 -11.880 0.279 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.286 -10.829 -0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.006 -11.095 -0.706 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.822 -12.254 0.349 1.00 0.00 H new ATOM 500 N TYR A 33 -2.112 -7.660 2.609 1.00 0.00 N ATOM 501 CA TYR A 33 -2.799 -7.020 3.772 1.00 0.00 C ATOM 502 C TYR A 33 -4.143 -6.459 3.291 1.00 0.00 C ATOM 503 O TYR A 33 -5.153 -6.563 3.960 1.00 0.00 O ATOM 504 CB TYR A 33 -1.860 -5.892 4.219 1.00 0.00 C ATOM 505 CG TYR A 33 -2.507 -5.105 5.324 1.00 0.00 C ATOM 506 CD1 TYR A 33 -2.492 -5.605 6.625 1.00 0.00 C ATOM 507 CD2 TYR A 33 -3.133 -3.885 5.045 1.00 0.00 C ATOM 508 CE1 TYR A 33 -3.101 -4.890 7.655 1.00 0.00 C ATOM 509 CE2 TYR A 33 -3.742 -3.165 6.076 1.00 0.00 C ATOM 510 CZ TYR A 33 -3.727 -3.667 7.384 1.00 0.00 C ATOM 511 OH TYR A 33 -4.330 -2.958 8.403 1.00 0.00 O ATOM 0 H TYR A 33 -1.236 -7.220 2.329 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.999 -7.709 4.592 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.913 -6.308 4.562 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.634 -5.238 3.377 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.008 -6.547 6.835 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.145 -3.501 4.036 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -3.090 -5.279 8.662 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.224 -2.222 5.865 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.715 -2.132 8.043 1.00 0.00 H new ATOM 521 N ILE A 34 -4.146 -5.881 2.120 1.00 0.00 N ATOM 522 CA ILE A 34 -5.408 -5.317 1.550 1.00 0.00 C ATOM 523 C ILE A 34 -6.378 -6.463 1.236 1.00 0.00 C ATOM 524 O ILE A 34 -7.582 -6.298 1.274 1.00 0.00 O ATOM 525 CB ILE A 34 -4.973 -4.602 0.263 1.00 0.00 C ATOM 526 CG1 ILE A 34 -3.961 -3.484 0.614 1.00 0.00 C ATOM 527 CG2 ILE A 34 -6.202 -4.035 -0.471 1.00 0.00 C ATOM 528 CD1 ILE A 34 -4.668 -2.228 1.138 1.00 0.00 C ATOM 0 H ILE A 34 -3.323 -5.774 1.528 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.919 -4.638 2.233 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.487 -5.312 -0.406 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.261 -3.849 1.366 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.376 -3.231 -0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.881 -3.530 -1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.880 -4.849 -0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.716 -3.324 0.176 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.926 -1.465 1.374 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.349 -1.849 0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.232 -2.476 2.037 1.00 0.00 H new ATOM 540 N ASN A 35 -5.851 -7.624 0.928 1.00 0.00 N ATOM 541 CA ASN A 35 -6.726 -8.795 0.610 1.00 0.00 C ATOM 542 C ASN A 35 -7.638 -9.116 1.798 1.00 0.00 C ATOM 543 O ASN A 35 -8.727 -9.634 1.633 1.00 0.00 O ATOM 544 CB ASN A 35 -5.763 -9.956 0.347 1.00 0.00 C ATOM 545 CG ASN A 35 -6.534 -11.136 -0.248 1.00 0.00 C ATOM 546 OD1 ASN A 35 -7.709 -11.303 0.014 1.00 0.00 O ATOM 547 ND2 ASN A 35 -5.919 -11.967 -1.044 1.00 0.00 N ATOM 0 H ASN A 35 -4.849 -7.811 0.883 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.374 -8.601 -0.245 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.975 -9.641 -0.337 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.277 -10.257 1.275 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.424 -12.756 -1.446 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.933 -11.827 -1.264 1.00 0.00 H new ATOM 554 N ASP A 36 -7.200 -8.809 2.993 1.00 0.00 N ATOM 555 CA ASP A 36 -8.036 -9.092 4.199 1.00 0.00 C ATOM 556 C ASP A 36 -9.156 -8.055 4.319 1.00 0.00 C ATOM 557 O ASP A 36 -10.320 -8.396 4.409 1.00 0.00 O ATOM 558 CB ASP A 36 -7.077 -8.985 5.386 1.00 0.00 C ATOM 559 CG ASP A 36 -7.455 -10.024 6.444 1.00 0.00 C ATOM 560 OD1 ASP A 36 -8.356 -9.750 7.219 1.00 0.00 O ATOM 561 OD2 ASP A 36 -6.836 -11.075 6.460 1.00 0.00 O ATOM 0 H ASP A 36 -6.298 -8.374 3.186 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.512 -10.072 4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.051 -9.145 5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.121 -7.983 5.813 1.00 0.00 H new ATOM 566 N ASN A 37 -8.809 -6.793 4.319 1.00 0.00 N ATOM 567 CA ASN A 37 -9.851 -5.725 4.431 1.00 0.00 C ATOM 568 C ASN A 37 -10.806 -5.796 3.237 1.00 0.00 C ATOM 569 O ASN A 37 -11.988 -5.535 3.361 1.00 0.00 O ATOM 570 CB ASN A 37 -9.079 -4.403 4.421 1.00 0.00 C ATOM 571 CG ASN A 37 -8.153 -4.344 5.637 1.00 0.00 C ATOM 572 OD1 ASN A 37 -7.259 -5.155 5.774 1.00 0.00 O ATOM 573 ND2 ASN A 37 -8.329 -3.410 6.531 1.00 0.00 N ATOM 0 H ASN A 37 -7.849 -6.455 4.246 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.454 -5.833 5.332 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.498 -4.316 3.503 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.774 -3.564 4.439 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.716 -3.361 7.345 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.080 -2.729 6.416 1.00 0.00 H new ATOM 580 N GLY A 38 -10.300 -6.148 2.082 1.00 0.00 N ATOM 581 CA GLY A 38 -11.170 -6.240 0.873 1.00 0.00 C ATOM 582 C GLY A 38 -11.210 -4.884 0.166 1.00 0.00 C ATOM 583 O GLY A 38 -12.203 -4.520 -0.436 1.00 0.00 O ATOM 0 H GLY A 38 -9.318 -6.376 1.925 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.789 -7.004 0.195 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.177 -6.542 1.159 1.00 0.00 H new ATOM 587 N ILE A 39 -10.137 -4.137 0.235 1.00 0.00 N ATOM 588 CA ILE A 39 -10.105 -2.801 -0.432 1.00 0.00 C ATOM 589 C ILE A 39 -9.052 -2.794 -1.545 1.00 0.00 C ATOM 590 O ILE A 39 -8.002 -2.194 -1.415 1.00 0.00 O ATOM 591 CB ILE A 39 -9.733 -1.808 0.679 1.00 0.00 C ATOM 592 CG1 ILE A 39 -10.785 -1.860 1.801 1.00 0.00 C ATOM 593 CG2 ILE A 39 -9.666 -0.387 0.106 1.00 0.00 C ATOM 594 CD1 ILE A 39 -12.173 -1.503 1.251 1.00 0.00 C ATOM 0 H ILE A 39 -9.281 -4.396 0.725 1.00 0.00 H new ATOM 0 HA ILE A 39 -11.057 -2.546 -0.897 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.759 -2.080 1.085 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.807 -2.857 2.242 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.512 -1.166 2.596 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.402 0.313 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.912 -0.347 -0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.637 -0.116 -0.309 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -12.905 -1.544 2.057 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -12.151 -0.497 0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.450 -2.214 0.472 1.00 0.00 H new ATOM 606 N ASP A 40 -9.331 -3.456 -2.638 1.00 0.00 N ATOM 607 CA ASP A 40 -8.357 -3.494 -3.770 1.00 0.00 C ATOM 608 C ASP A 40 -8.986 -2.873 -5.020 1.00 0.00 C ATOM 609 O ASP A 40 -9.866 -3.449 -5.631 1.00 0.00 O ATOM 610 CB ASP A 40 -8.068 -4.978 -3.995 1.00 0.00 C ATOM 611 CG ASP A 40 -6.805 -5.374 -3.228 1.00 0.00 C ATOM 612 OD1 ASP A 40 -5.814 -4.673 -3.355 1.00 0.00 O ATOM 613 OD2 ASP A 40 -6.849 -6.372 -2.527 1.00 0.00 O ATOM 0 H ASP A 40 -10.195 -3.974 -2.796 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.448 -2.932 -3.556 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.913 -5.579 -3.660 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -7.938 -5.177 -5.059 1.00 0.00 H new ATOM 618 N GLY A 41 -8.544 -1.700 -5.398 1.00 0.00 N ATOM 619 CA GLY A 41 -9.117 -1.035 -6.605 1.00 0.00 C ATOM 620 C GLY A 41 -7.998 -0.395 -7.428 1.00 0.00 C ATOM 621 O GLY A 41 -7.484 -0.990 -8.357 1.00 0.00 O ATOM 0 H GLY A 41 -7.811 -1.175 -4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.655 -1.764 -7.211 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.839 -0.276 -6.304 1.00 0.00 H new ATOM 625 N GLU A 42 -7.624 0.817 -7.100 1.00 0.00 N ATOM 626 CA GLU A 42 -6.543 1.505 -7.870 1.00 0.00 C ATOM 627 C GLU A 42 -5.484 2.072 -6.922 1.00 0.00 C ATOM 628 O GLU A 42 -5.773 2.901 -6.079 1.00 0.00 O ATOM 629 CB GLU A 42 -7.251 2.640 -8.620 1.00 0.00 C ATOM 630 CG GLU A 42 -7.358 2.290 -10.108 1.00 0.00 C ATOM 631 CD GLU A 42 -8.686 2.810 -10.663 1.00 0.00 C ATOM 632 OE1 GLU A 42 -9.713 2.264 -10.295 1.00 0.00 O ATOM 633 OE2 GLU A 42 -8.653 3.745 -11.446 1.00 0.00 O ATOM 0 H GLU A 42 -8.021 1.359 -6.332 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.027 0.824 -8.546 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.245 2.800 -8.202 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.699 3.571 -8.495 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.525 2.731 -10.656 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.293 1.210 -10.244 1.00 0.00 H new ATOM 640 N TRP A 43 -4.258 1.635 -7.063 1.00 0.00 N ATOM 641 CA TRP A 43 -3.169 2.150 -6.182 1.00 0.00 C ATOM 642 C TRP A 43 -2.397 3.250 -6.912 1.00 0.00 C ATOM 643 O TRP A 43 -2.503 3.399 -8.115 1.00 0.00 O ATOM 644 CB TRP A 43 -2.229 0.966 -5.935 1.00 0.00 C ATOM 645 CG TRP A 43 -2.855 -0.081 -5.064 1.00 0.00 C ATOM 646 CD1 TRP A 43 -4.175 -0.387 -4.981 1.00 0.00 C ATOM 647 CD2 TRP A 43 -2.177 -0.980 -4.149 1.00 0.00 C ATOM 648 NE1 TRP A 43 -4.333 -1.433 -4.093 1.00 0.00 N ATOM 649 CE2 TRP A 43 -3.132 -1.825 -3.547 1.00 0.00 C ATOM 650 CE3 TRP A 43 -0.830 -1.139 -3.794 1.00 0.00 C ATOM 651 CZ2 TRP A 43 -2.765 -2.797 -2.622 1.00 0.00 C ATOM 652 CZ3 TRP A 43 -0.455 -2.115 -2.857 1.00 0.00 C ATOM 653 CH2 TRP A 43 -1.420 -2.941 -2.273 1.00 0.00 C ATOM 0 H TRP A 43 -3.965 0.942 -7.752 1.00 0.00 H new ATOM 0 HA TRP A 43 -3.567 2.559 -5.253 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -1.948 0.522 -6.890 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.311 1.324 -5.468 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.970 0.106 -5.520 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.231 -1.863 -3.869 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.078 -0.508 -4.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -3.514 -3.435 -2.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 0.584 -2.228 -2.586 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -1.126 -3.690 -1.553 1.00 0.00 H new ATOM 664 N THR A 44 -1.600 3.998 -6.197 1.00 0.00 N ATOM 665 CA THR A 44 -0.786 5.069 -6.844 1.00 0.00 C ATOM 666 C THR A 44 0.513 5.254 -6.063 1.00 0.00 C ATOM 667 O THR A 44 0.508 5.378 -4.852 1.00 0.00 O ATOM 668 CB THR A 44 -1.631 6.343 -6.795 1.00 0.00 C ATOM 669 OG1 THR A 44 -1.888 6.694 -5.445 1.00 0.00 O ATOM 670 CG2 THR A 44 -2.954 6.118 -7.531 1.00 0.00 C ATOM 0 H THR A 44 -1.477 3.913 -5.188 1.00 0.00 H new ATOM 0 HA THR A 44 -0.526 4.820 -7.873 1.00 0.00 H new ATOM 0 HB THR A 44 -1.086 7.153 -7.280 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.265 6.216 -4.858 1.00 0.00 H new ATOM 0 HG21 THR A 44 -3.551 7.029 -7.492 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.753 5.860 -8.571 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.502 5.305 -7.055 1.00 0.00 H new ATOM 678 N TYR A 45 1.623 5.264 -6.748 1.00 0.00 N ATOM 679 CA TYR A 45 2.934 5.429 -6.055 1.00 0.00 C ATOM 680 C TYR A 45 3.350 6.906 -6.065 1.00 0.00 C ATOM 681 O TYR A 45 2.870 7.686 -6.866 1.00 0.00 O ATOM 682 CB TYR A 45 3.918 4.586 -6.871 1.00 0.00 C ATOM 683 CG TYR A 45 5.292 4.657 -6.247 1.00 0.00 C ATOM 684 CD1 TYR A 45 5.469 4.323 -4.900 1.00 0.00 C ATOM 685 CD2 TYR A 45 6.389 5.058 -7.019 1.00 0.00 C ATOM 686 CE1 TYR A 45 6.743 4.390 -4.324 1.00 0.00 C ATOM 687 CE2 TYR A 45 7.662 5.125 -6.443 1.00 0.00 C ATOM 688 CZ TYR A 45 7.840 4.791 -5.096 1.00 0.00 C ATOM 689 OH TYR A 45 9.095 4.858 -4.528 1.00 0.00 O ATOM 0 H TYR A 45 1.680 5.165 -7.762 1.00 0.00 H new ATOM 0 HA TYR A 45 2.898 5.116 -5.012 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.579 3.551 -6.910 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.956 4.948 -7.899 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.623 4.013 -4.305 1.00 0.00 H new ATOM 0 HD2 TYR A 45 6.252 5.316 -8.059 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.880 4.132 -3.284 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.508 5.435 -7.038 1.00 0.00 H new ATOM 0 HH TYR A 45 9.605 4.056 -4.767 1.00 0.00 H new ATOM 699 N ASP A 46 4.244 7.292 -5.187 1.00 0.00 N ATOM 700 CA ASP A 46 4.700 8.718 -5.153 1.00 0.00 C ATOM 701 C ASP A 46 6.213 8.779 -4.933 1.00 0.00 C ATOM 702 O ASP A 46 6.733 8.214 -3.989 1.00 0.00 O ATOM 703 CB ASP A 46 3.968 9.370 -3.972 1.00 0.00 C ATOM 704 CG ASP A 46 2.455 9.174 -4.115 1.00 0.00 C ATOM 705 OD1 ASP A 46 1.990 8.082 -3.830 1.00 0.00 O ATOM 706 OD2 ASP A 46 1.789 10.118 -4.507 1.00 0.00 O ATOM 0 H ASP A 46 4.677 6.683 -4.493 1.00 0.00 H new ATOM 0 HA ASP A 46 4.482 9.231 -6.090 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.312 8.932 -3.035 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.202 10.434 -3.932 1.00 0.00 H new ATOM 711 N ASP A 47 6.919 9.468 -5.793 1.00 0.00 N ATOM 712 CA ASP A 47 8.403 9.579 -5.635 1.00 0.00 C ATOM 713 C ASP A 47 8.760 10.473 -4.435 1.00 0.00 C ATOM 714 O ASP A 47 9.910 10.563 -4.047 1.00 0.00 O ATOM 715 CB ASP A 47 8.905 10.202 -6.944 1.00 0.00 C ATOM 716 CG ASP A 47 8.242 11.566 -7.164 1.00 0.00 C ATOM 717 OD1 ASP A 47 8.513 12.466 -6.386 1.00 0.00 O ATOM 718 OD2 ASP A 47 7.476 11.685 -8.105 1.00 0.00 O ATOM 0 H ASP A 47 6.533 9.959 -6.599 1.00 0.00 H new ATOM 0 HA ASP A 47 8.862 8.609 -5.445 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.988 10.316 -6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.681 9.540 -7.781 1.00 0.00 H new ATOM 723 N ALA A 48 7.789 11.135 -3.845 1.00 0.00 N ATOM 724 CA ALA A 48 8.075 12.022 -2.670 1.00 0.00 C ATOM 725 C ALA A 48 8.798 11.241 -1.567 1.00 0.00 C ATOM 726 O ALA A 48 9.972 11.442 -1.317 1.00 0.00 O ATOM 727 CB ALA A 48 6.699 12.481 -2.179 1.00 0.00 C ATOM 0 H ALA A 48 6.810 11.098 -4.128 1.00 0.00 H new ATOM 0 HA ALA A 48 8.720 12.859 -2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 48 6.820 13.137 -1.317 1.00 0.00 H new ATOM 0 HB2 ALA A 48 6.189 13.021 -2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.106 11.612 -1.893 1.00 0.00 H new ATOM 733 N THR A 49 8.100 10.352 -0.913 1.00 0.00 N ATOM 734 CA THR A 49 8.726 9.544 0.177 1.00 0.00 C ATOM 735 C THR A 49 8.391 8.063 -0.020 1.00 0.00 C ATOM 736 O THR A 49 8.206 7.324 0.928 1.00 0.00 O ATOM 737 CB THR A 49 8.106 10.073 1.477 1.00 0.00 C ATOM 738 OG1 THR A 49 8.617 9.332 2.576 1.00 0.00 O ATOM 739 CG2 THR A 49 6.579 9.930 1.430 1.00 0.00 C ATOM 0 H THR A 49 7.116 10.148 -1.087 1.00 0.00 H new ATOM 0 HA THR A 49 9.813 9.629 0.188 1.00 0.00 H new ATOM 0 HB THR A 49 8.360 11.127 1.591 1.00 0.00 H new ATOM 0 HG1 THR A 49 8.651 8.381 2.342 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.149 10.308 2.358 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.186 10.501 0.589 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.315 8.879 1.310 1.00 0.00 H new ATOM 747 N LYS A 50 8.310 7.632 -1.253 1.00 0.00 N ATOM 748 CA LYS A 50 7.984 6.200 -1.552 1.00 0.00 C ATOM 749 C LYS A 50 6.654 5.799 -0.905 1.00 0.00 C ATOM 750 O LYS A 50 6.553 4.765 -0.271 1.00 0.00 O ATOM 751 CB LYS A 50 9.138 5.365 -0.974 1.00 0.00 C ATOM 752 CG LYS A 50 10.484 5.853 -1.539 1.00 0.00 C ATOM 753 CD LYS A 50 11.166 4.724 -2.323 1.00 0.00 C ATOM 754 CE LYS A 50 12.666 4.714 -2.015 1.00 0.00 C ATOM 755 NZ LYS A 50 13.220 5.874 -2.767 1.00 0.00 N ATOM 0 H LYS A 50 8.457 8.216 -2.076 1.00 0.00 H new ATOM 0 HA LYS A 50 7.876 6.038 -2.625 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.143 5.442 0.113 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.993 4.313 -1.219 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.324 6.713 -2.189 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.130 6.184 -0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.724 3.764 -2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.005 4.862 -3.392 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.850 4.812 -0.945 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.128 3.780 -2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.186 5.653 -3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.621 6.070 -3.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.241 6.710 -2.149 1.00 0.00 H new ATOM 769 N THR A 51 5.632 6.602 -1.072 1.00 0.00 N ATOM 770 CA THR A 51 4.302 6.262 -0.480 1.00 0.00 C ATOM 771 C THR A 51 3.438 5.560 -1.531 1.00 0.00 C ATOM 772 O THR A 51 3.765 5.543 -2.703 1.00 0.00 O ATOM 773 CB THR A 51 3.683 7.603 -0.069 1.00 0.00 C ATOM 774 OG1 THR A 51 4.506 8.218 0.910 1.00 0.00 O ATOM 775 CG2 THR A 51 2.285 7.377 0.516 1.00 0.00 C ATOM 0 H THR A 51 5.662 7.478 -1.593 1.00 0.00 H new ATOM 0 HA THR A 51 4.384 5.588 0.373 1.00 0.00 H new ATOM 0 HB THR A 51 3.605 8.246 -0.946 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.860 7.534 1.516 1.00 0.00 H new ATOM 0 HG21 THR A 51 1.852 8.335 0.805 1.00 0.00 H new ATOM 0 HG22 THR A 51 1.650 6.903 -0.232 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.357 6.732 1.392 1.00 0.00 H new ATOM 783 N TRP A 52 2.344 4.976 -1.116 1.00 0.00 N ATOM 784 CA TRP A 52 1.459 4.265 -2.080 1.00 0.00 C ATOM 785 C TRP A 52 -0.009 4.612 -1.820 1.00 0.00 C ATOM 786 O TRP A 52 -0.321 5.492 -1.041 1.00 0.00 O ATOM 787 CB TRP A 52 1.691 2.788 -1.795 1.00 0.00 C ATOM 788 CG TRP A 52 2.959 2.330 -2.433 1.00 0.00 C ATOM 789 CD1 TRP A 52 4.158 2.230 -1.817 1.00 0.00 C ATOM 790 CD2 TRP A 52 3.161 1.894 -3.798 1.00 0.00 C ATOM 791 NE1 TRP A 52 5.090 1.769 -2.732 1.00 0.00 N ATOM 792 CE2 TRP A 52 4.519 1.547 -3.971 1.00 0.00 C ATOM 793 CE3 TRP A 52 2.297 1.775 -4.889 1.00 0.00 C ATOM 794 CZ2 TRP A 52 5.004 1.093 -5.199 1.00 0.00 C ATOM 795 CZ3 TRP A 52 2.775 1.318 -6.129 1.00 0.00 C ATOM 796 CH2 TRP A 52 4.127 0.978 -6.283 1.00 0.00 C ATOM 0 H TRP A 52 2.026 4.962 -0.147 1.00 0.00 H new ATOM 0 HA TRP A 52 1.677 4.539 -3.112 1.00 0.00 H new ATOM 0 HB2 TRP A 52 1.737 2.621 -0.719 1.00 0.00 H new ATOM 0 HB3 TRP A 52 0.853 2.202 -2.173 1.00 0.00 H new ATOM 0 HD1 TRP A 52 4.356 2.470 -0.783 1.00 0.00 H new ATOM 0 HE1 TRP A 52 6.075 1.613 -2.518 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.255 2.036 -4.779 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 6.046 0.833 -5.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.099 1.228 -6.966 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.491 0.628 -7.238 1.00 0.00 H new ATOM 807 N THR A 53 -0.912 3.912 -2.465 1.00 0.00 N ATOM 808 CA THR A 53 -2.367 4.179 -2.259 1.00 0.00 C ATOM 809 C THR A 53 -3.193 2.954 -2.668 1.00 0.00 C ATOM 810 O THR A 53 -2.677 2.003 -3.223 1.00 0.00 O ATOM 811 CB THR A 53 -2.695 5.373 -3.161 1.00 0.00 C ATOM 812 OG1 THR A 53 -1.711 6.384 -2.990 1.00 0.00 O ATOM 813 CG2 THR A 53 -4.068 5.935 -2.793 1.00 0.00 C ATOM 0 H THR A 53 -0.701 3.165 -3.127 1.00 0.00 H new ATOM 0 HA THR A 53 -2.600 4.388 -1.215 1.00 0.00 H new ATOM 0 HB THR A 53 -2.704 5.045 -4.200 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.830 7.075 -3.674 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.298 6.784 -3.437 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.825 5.162 -2.927 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.061 6.260 -1.753 1.00 0.00 H new ATOM 821 N VAL A 54 -4.472 2.970 -2.384 1.00 0.00 N ATOM 822 CA VAL A 54 -5.349 1.806 -2.739 1.00 0.00 C ATOM 823 C VAL A 54 -6.822 2.181 -2.512 1.00 0.00 C ATOM 824 O VAL A 54 -7.380 1.937 -1.459 1.00 0.00 O ATOM 825 CB VAL A 54 -4.904 0.656 -1.806 1.00 0.00 C ATOM 826 CG1 VAL A 54 -4.860 1.141 -0.358 1.00 0.00 C ATOM 827 CG2 VAL A 54 -5.876 -0.529 -1.902 1.00 0.00 C ATOM 0 H VAL A 54 -4.950 3.742 -1.919 1.00 0.00 H new ATOM 0 HA VAL A 54 -5.258 1.513 -3.785 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.911 0.334 -2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.545 0.323 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.152 1.965 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -5.851 1.481 -0.058 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.544 -1.327 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -6.875 -0.205 -1.609 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.900 -0.898 -2.928 1.00 0.00 H new ATOM 837 N THR A 55 -7.447 2.770 -3.500 1.00 0.00 N ATOM 838 CA THR A 55 -8.881 3.166 -3.360 1.00 0.00 C ATOM 839 C THR A 55 -9.792 2.041 -3.859 1.00 0.00 C ATOM 840 O THR A 55 -9.563 1.468 -4.907 1.00 0.00 O ATOM 841 CB THR A 55 -9.034 4.407 -4.240 1.00 0.00 C ATOM 842 OG1 THR A 55 -7.931 5.276 -4.024 1.00 0.00 O ATOM 843 CG2 THR A 55 -10.334 5.130 -3.885 1.00 0.00 C ATOM 0 H THR A 55 -7.024 2.994 -4.401 1.00 0.00 H new ATOM 0 HA THR A 55 -9.157 3.362 -2.324 1.00 0.00 H new ATOM 0 HB THR A 55 -9.063 4.109 -5.288 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.026 6.072 -4.588 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.442 6.014 -4.513 1.00 0.00 H new ATOM 0 HG22 THR A 55 -11.179 4.462 -4.051 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.309 5.430 -2.837 1.00 0.00 H new ATOM 851 N GLU A 56 -10.824 1.725 -3.117 1.00 0.00 N ATOM 852 CA GLU A 56 -11.757 0.637 -3.547 1.00 0.00 C ATOM 853 C GLU A 56 -12.527 1.066 -4.798 1.00 0.00 C ATOM 854 O GLU A 56 -12.178 0.606 -5.872 1.00 0.00 O ATOM 855 CB GLU A 56 -12.715 0.436 -2.371 1.00 0.00 C ATOM 856 CG GLU A 56 -13.382 -0.936 -2.483 1.00 0.00 C ATOM 857 CD GLU A 56 -14.457 -0.893 -3.571 1.00 0.00 C ATOM 858 OE1 GLU A 56 -15.582 -0.544 -3.252 1.00 0.00 O ATOM 859 OE2 GLU A 56 -14.137 -1.211 -4.705 1.00 0.00 O ATOM 860 OXT GLU A 56 -13.454 1.848 -4.660 1.00 0.00 O ATOM 0 H GLU A 56 -11.061 2.173 -2.232 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.227 -0.282 -3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.172 0.512 -1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.472 1.220 -2.367 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.638 -1.696 -2.722 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.827 -1.215 -1.528 1.00 0.00 H new