USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 426 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 50 THR OG1 : rot 180:sc= -0.337 USER MOD Set 1.2: A 52 THR OG1 : rot 64:sc= 0.107 USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= -0.288 USER MOD Set 2.2: A 54 THR OG1 : rot 123:sc= 0.372 USER MOD Single : A 2 THR OG1 : rot 29:sc= 0.292 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -4.04! C(o=-4!,f=-3.4!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -110:sc= -0.472 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 26:sc= 0.539 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 30:sc= -0.298 USER MOD Single : A 36 ASN : amide:sc= 0.641 K(o=0.64,f=-0.44) USER MOD Single : A 38 ASN : amide:sc= -0.0837 K(o=-0.084,f=-1.1!) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.239 USER MOD Single : A 51 LYS NZ :NH3+ -167:sc= 0.185 (180deg=0.114) USER MOD Single : A 56 THR OG1 : rot -169:sc= -0.765 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -2.498 -12.088 6.290 1.00 0.00 N ATOM 21 CA THR A 2 -2.693 -11.207 5.101 1.00 0.00 C ATOM 22 C THR A 2 -1.747 -10.005 5.171 1.00 0.00 C ATOM 23 O THR A 2 -2.133 -8.883 4.902 1.00 0.00 O ATOM 24 CB THR A 2 -4.148 -10.746 5.184 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.000 -11.882 5.243 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.493 -9.910 3.951 1.00 0.00 C ATOM 0 HA THR A 2 -2.481 -11.725 4.166 1.00 0.00 H new ATOM 0 HB THR A 2 -4.287 -10.140 6.079 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.523 -12.627 5.665 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.531 -9.582 4.012 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.839 -9.039 3.908 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.355 -10.512 3.053 1.00 0.00 H new ATOM 34 N THR A 3 -0.509 -10.234 5.529 1.00 0.00 N ATOM 35 CA THR A 3 0.470 -9.106 5.617 1.00 0.00 C ATOM 36 C THR A 3 0.760 -8.551 4.222 1.00 0.00 C ATOM 37 O THR A 3 1.634 -9.032 3.524 1.00 0.00 O ATOM 38 CB THR A 3 1.737 -9.713 6.227 1.00 0.00 C ATOM 39 OG1 THR A 3 1.422 -10.303 7.480 1.00 0.00 O ATOM 40 CG2 THR A 3 2.791 -8.619 6.425 1.00 0.00 C ATOM 0 H THR A 3 -0.133 -11.153 5.764 1.00 0.00 H new ATOM 0 HA THR A 3 0.090 -8.280 6.218 1.00 0.00 H new ATOM 0 HB THR A 3 2.133 -10.475 5.555 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.232 -10.693 7.871 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.691 -9.055 6.859 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.034 -8.169 5.462 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.399 -7.853 7.095 1.00 0.00 H new ATOM 48 N PHE A 4 0.036 -7.540 3.813 1.00 0.00 N ATOM 49 CA PHE A 4 0.271 -6.947 2.463 1.00 0.00 C ATOM 50 C PHE A 4 1.525 -6.073 2.495 1.00 0.00 C ATOM 51 O PHE A 4 1.961 -5.642 3.546 1.00 0.00 O ATOM 52 CB PHE A 4 -0.972 -6.108 2.164 1.00 0.00 C ATOM 53 CG PHE A 4 -2.003 -6.974 1.485 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.783 -7.416 0.177 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.172 -7.339 2.160 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.731 -8.222 -0.458 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.123 -8.147 1.524 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.902 -8.589 0.214 1.00 0.00 C ATOM 0 H PHE A 4 -0.707 -7.100 4.356 1.00 0.00 H new ATOM 0 HA PHE A 4 0.429 -7.706 1.697 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.378 -5.695 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.711 -5.264 1.525 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.879 -7.134 -0.343 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.341 -6.998 3.171 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.560 -8.562 -1.469 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -5.027 -8.429 2.044 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.634 -9.212 -0.277 1.00 0.00 H new ATOM 68 N LYS A 5 2.113 -5.819 1.355 1.00 0.00 N ATOM 69 CA LYS A 5 3.348 -4.984 1.319 1.00 0.00 C ATOM 70 C LYS A 5 3.139 -3.751 0.436 1.00 0.00 C ATOM 71 O LYS A 5 2.043 -3.487 -0.024 1.00 0.00 O ATOM 72 CB LYS A 5 4.415 -5.896 0.716 1.00 0.00 C ATOM 73 CG LYS A 5 4.820 -6.955 1.743 1.00 0.00 C ATOM 74 CD LYS A 5 5.760 -7.971 1.091 1.00 0.00 C ATOM 75 CE LYS A 5 4.941 -9.131 0.519 1.00 0.00 C ATOM 76 NZ LYS A 5 5.939 -10.196 0.220 1.00 0.00 N ATOM 0 H LYS A 5 1.790 -6.154 0.447 1.00 0.00 H new ATOM 0 HA LYS A 5 3.626 -4.617 2.307 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.032 -6.375 -0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.285 -5.310 0.420 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.313 -6.482 2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.934 -7.460 2.128 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.336 -7.493 0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.475 -8.344 1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.195 -9.478 1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.404 -8.829 -0.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.453 -11.026 -0.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.632 -9.839 -0.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.430 -10.468 1.096 1.00 0.00 H new ATOM 90 N LEU A 6 4.184 -2.997 0.196 1.00 0.00 N ATOM 91 CA LEU A 6 4.053 -1.780 -0.660 1.00 0.00 C ATOM 92 C LEU A 6 5.436 -1.282 -1.089 1.00 0.00 C ATOM 93 O LEU A 6 6.148 -0.672 -0.313 1.00 0.00 O ATOM 94 CB LEU A 6 3.357 -0.739 0.230 1.00 0.00 C ATOM 95 CG LEU A 6 3.213 0.592 -0.524 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.120 0.470 -1.585 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.839 1.699 0.463 1.00 0.00 C ATOM 0 H LEU A 6 5.122 -3.173 0.557 1.00 0.00 H new ATOM 0 HA LEU A 6 3.490 -1.977 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.374 -1.104 0.529 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.932 -0.588 1.143 1.00 0.00 H new ATOM 0 HG LEU A 6 4.160 0.835 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.022 1.416 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.385 -0.317 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.173 0.224 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.737 2.644 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.894 1.451 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.619 1.792 1.218 1.00 0.00 H new ATOM 109 N ILE A 7 5.807 -1.510 -2.324 1.00 0.00 N ATOM 110 CA ILE A 7 7.125 -1.019 -2.808 1.00 0.00 C ATOM 111 C ILE A 7 6.945 0.410 -3.300 1.00 0.00 C ATOM 112 O ILE A 7 6.075 0.685 -4.108 1.00 0.00 O ATOM 113 CB ILE A 7 7.526 -1.944 -3.960 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.645 -3.391 -3.450 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.870 -1.483 -4.538 1.00 0.00 C ATOM 116 CD1 ILE A 7 8.713 -3.484 -2.351 1.00 0.00 C ATOM 0 H ILE A 7 5.252 -2.015 -3.015 1.00 0.00 H new ATOM 0 HA ILE A 7 7.892 -1.024 -2.033 1.00 0.00 H new ATOM 0 HB ILE A 7 6.764 -1.905 -4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.684 -3.727 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.904 -4.054 -4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.158 -2.140 -5.359 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.776 -0.462 -4.907 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.632 -1.519 -3.760 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.786 -4.513 -2.000 1.00 0.00 H new ATOM 0 HD12 ILE A 7 9.676 -3.169 -2.752 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.437 -2.836 -1.519 1.00 0.00 H new ATOM 128 N ILE A 8 7.730 1.325 -2.803 1.00 0.00 N ATOM 129 CA ILE A 8 7.563 2.743 -3.231 1.00 0.00 C ATOM 130 C ILE A 8 8.592 3.104 -4.308 1.00 0.00 C ATOM 131 O ILE A 8 9.782 3.119 -4.055 1.00 0.00 O ATOM 132 CB ILE A 8 7.782 3.619 -1.988 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.119 2.998 -0.740 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.180 5.002 -2.258 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.598 2.978 -0.880 1.00 0.00 C ATOM 0 H ILE A 8 8.473 1.156 -2.125 1.00 0.00 H new ATOM 0 HA ILE A 8 6.570 2.899 -3.653 1.00 0.00 H new ATOM 0 HB ILE A 8 8.851 3.697 -1.792 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.488 1.982 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.399 3.568 0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.326 5.639 -1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.672 5.451 -3.121 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.114 4.902 -2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.156 2.536 0.013 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.230 3.997 -1.000 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.321 2.387 -1.753 1.00 0.00 H new ATOM 147 N ASN A 9 8.143 3.408 -5.501 1.00 0.00 N ATOM 148 CA ASN A 9 9.105 3.786 -6.590 1.00 0.00 C ATOM 149 C ASN A 9 9.481 5.263 -6.426 1.00 0.00 C ATOM 150 O ASN A 9 9.326 5.833 -5.364 1.00 0.00 O ATOM 151 CB ASN A 9 8.384 3.587 -7.945 1.00 0.00 C ATOM 152 CG ASN A 9 7.440 2.377 -7.926 1.00 0.00 C ATOM 153 OD1 ASN A 9 7.770 1.337 -7.392 1.00 0.00 O ATOM 154 ND2 ASN A 9 6.268 2.478 -8.497 1.00 0.00 N ATOM 0 H ASN A 9 7.159 3.412 -5.770 1.00 0.00 H new ATOM 0 HA ASN A 9 10.007 3.175 -6.545 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.816 4.485 -8.188 1.00 0.00 H new ATOM 0 HB3 ASN A 9 9.125 3.455 -8.733 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.629 1.683 -8.494 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.993 3.352 -8.945 1.00 0.00 H new ATOM 161 N GLY A 10 9.956 5.892 -7.476 1.00 0.00 N ATOM 162 CA GLY A 10 10.324 7.344 -7.400 1.00 0.00 C ATOM 163 C GLY A 10 11.252 7.606 -6.207 1.00 0.00 C ATOM 164 O GLY A 10 11.975 6.734 -5.766 1.00 0.00 O ATOM 0 H GLY A 10 10.106 5.460 -8.388 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.816 7.648 -8.324 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.422 7.949 -7.305 1.00 0.00 H new ATOM 168 N LYS A 11 11.226 8.807 -5.683 1.00 0.00 N ATOM 169 CA LYS A 11 12.097 9.142 -4.516 1.00 0.00 C ATOM 170 C LYS A 11 11.263 9.270 -3.233 1.00 0.00 C ATOM 171 O LYS A 11 11.789 9.204 -2.138 1.00 0.00 O ATOM 172 CB LYS A 11 12.760 10.478 -4.874 1.00 0.00 C ATOM 173 CG LYS A 11 11.691 11.549 -5.121 1.00 0.00 C ATOM 174 CD LYS A 11 12.174 12.893 -4.569 1.00 0.00 C ATOM 175 CE LYS A 11 13.388 13.369 -5.372 1.00 0.00 C ATOM 176 NZ LYS A 11 13.428 14.844 -5.169 1.00 0.00 N ATOM 0 H LYS A 11 10.637 9.571 -6.015 1.00 0.00 H new ATOM 0 HA LYS A 11 12.836 8.364 -4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.421 10.793 -4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.378 10.359 -5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.487 11.635 -6.188 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.756 11.262 -4.640 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.374 13.631 -4.628 1.00 0.00 H new ATOM 0 HD3 LYS A 11 12.438 12.792 -3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.305 12.897 -5.019 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.286 13.118 -6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 14.235 15.244 -5.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.545 15.267 -5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.532 15.052 -4.155 1.00 0.00 H new ATOM 190 N THR A 12 9.965 9.447 -3.357 1.00 0.00 N ATOM 191 CA THR A 12 9.098 9.573 -2.138 1.00 0.00 C ATOM 192 C THR A 12 9.243 8.332 -1.265 1.00 0.00 C ATOM 193 O THR A 12 8.591 7.329 -1.478 1.00 0.00 O ATOM 194 CB THR A 12 7.661 9.708 -2.659 1.00 0.00 C ATOM 195 OG1 THR A 12 7.661 10.392 -3.905 1.00 0.00 O ATOM 196 CG2 THR A 12 6.827 10.496 -1.650 1.00 0.00 C ATOM 0 H THR A 12 9.471 9.509 -4.247 1.00 0.00 H new ATOM 0 HA THR A 12 9.377 10.430 -1.525 1.00 0.00 H new ATOM 0 HB THR A 12 7.234 8.714 -2.794 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.265 11.281 -3.790 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.806 10.593 -2.019 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.820 9.971 -0.695 1.00 0.00 H new ATOM 0 HG23 THR A 12 7.260 11.487 -1.516 1.00 0.00 H new ATOM 204 N LEU A 13 10.114 8.394 -0.284 1.00 0.00 N ATOM 205 CA LEU A 13 10.338 7.222 0.615 1.00 0.00 C ATOM 206 C LEU A 13 10.776 6.008 -0.241 1.00 0.00 C ATOM 207 O LEU A 13 10.725 6.053 -1.457 1.00 0.00 O ATOM 208 CB LEU A 13 8.982 7.038 1.375 1.00 0.00 C ATOM 209 CG LEU A 13 8.251 5.743 0.991 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.799 4.572 1.827 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.745 5.896 1.249 1.00 0.00 C ATOM 0 H LEU A 13 10.682 9.214 -0.069 1.00 0.00 H new ATOM 0 HA LEU A 13 11.138 7.350 1.345 1.00 0.00 H new ATOM 0 HB2 LEU A 13 9.170 7.038 2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.335 7.890 1.165 1.00 0.00 H new ATOM 0 HG LEU A 13 8.415 5.542 -0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.279 3.654 1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.866 4.456 1.635 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.641 4.776 2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.233 4.974 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.576 6.104 2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.355 6.719 0.650 1.00 0.00 H new ATOM 223 N LYS A 14 11.192 4.936 0.379 1.00 0.00 N ATOM 224 CA LYS A 14 11.612 3.740 -0.397 1.00 0.00 C ATOM 225 C LYS A 14 11.640 2.509 0.508 1.00 0.00 C ATOM 226 O LYS A 14 12.514 2.362 1.343 1.00 0.00 O ATOM 227 CB LYS A 14 13.012 4.067 -0.931 1.00 0.00 C ATOM 228 CG LYS A 14 13.962 4.399 0.232 1.00 0.00 C ATOM 229 CD LYS A 14 15.070 3.346 0.315 1.00 0.00 C ATOM 230 CE LYS A 14 16.024 3.514 -0.869 1.00 0.00 C ATOM 231 NZ LYS A 14 17.277 2.826 -0.452 1.00 0.00 N ATOM 0 H LYS A 14 11.258 4.840 1.392 1.00 0.00 H new ATOM 0 HA LYS A 14 10.923 3.514 -1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.400 3.220 -1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.959 4.911 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.398 5.388 0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.407 4.430 1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.616 3.450 1.253 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.637 2.346 0.308 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.612 3.069 -1.775 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.204 4.567 -1.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.982 2.898 -1.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.650 3.275 0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.075 1.824 -0.260 1.00 0.00 H new ATOM 245 N GLY A 15 10.685 1.623 0.350 1.00 0.00 N ATOM 246 CA GLY A 15 10.657 0.401 1.208 1.00 0.00 C ATOM 247 C GLY A 15 9.444 -0.462 0.858 1.00 0.00 C ATOM 248 O GLY A 15 8.808 -0.274 -0.162 1.00 0.00 O ATOM 0 H GLY A 15 9.930 1.694 -0.332 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.573 -0.172 1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.618 0.687 2.259 1.00 0.00 H new ATOM 252 N GLU A 16 9.130 -1.412 1.701 1.00 0.00 N ATOM 253 CA GLU A 16 7.967 -2.310 1.441 1.00 0.00 C ATOM 254 C GLU A 16 6.841 -2.033 2.441 1.00 0.00 C ATOM 255 O GLU A 16 5.675 -2.049 2.093 1.00 0.00 O ATOM 256 CB GLU A 16 8.522 -3.722 1.637 1.00 0.00 C ATOM 257 CG GLU A 16 7.664 -4.726 0.865 1.00 0.00 C ATOM 258 CD GLU A 16 8.556 -5.830 0.295 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.518 -6.188 0.956 1.00 0.00 O ATOM 260 OE2 GLU A 16 8.264 -6.300 -0.792 1.00 0.00 O ATOM 0 H GLU A 16 9.635 -1.605 2.566 1.00 0.00 H new ATOM 0 HA GLU A 16 7.544 -2.164 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.554 -3.769 1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.530 -3.976 2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.910 -5.157 1.523 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.132 -4.221 0.058 1.00 0.00 H new ATOM 267 N ILE A 17 7.179 -1.781 3.685 1.00 0.00 N ATOM 268 CA ILE A 17 6.132 -1.504 4.726 1.00 0.00 C ATOM 269 C ILE A 17 5.100 -2.640 4.759 1.00 0.00 C ATOM 270 O ILE A 17 3.999 -2.506 4.261 1.00 0.00 O ATOM 271 CB ILE A 17 5.471 -0.180 4.306 1.00 0.00 C ATOM 272 CG1 ILE A 17 6.534 0.932 4.218 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.397 0.215 5.325 1.00 0.00 C ATOM 274 CD1 ILE A 17 7.240 1.110 5.569 1.00 0.00 C ATOM 0 H ILE A 17 8.140 -1.755 4.027 1.00 0.00 H new ATOM 0 HA ILE A 17 6.561 -1.437 5.726 1.00 0.00 H new ATOM 0 HB ILE A 17 5.007 -0.312 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.265 0.684 3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.064 1.869 3.920 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.934 1.153 5.020 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.638 -0.565 5.374 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.855 0.338 6.307 1.00 0.00 H new ATOM 0 HD11 ILE A 17 7.987 1.899 5.488 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.507 1.381 6.329 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.727 0.177 5.851 1.00 0.00 H new ATOM 286 N THR A 18 5.459 -3.756 5.341 1.00 0.00 N ATOM 287 CA THR A 18 4.512 -4.911 5.410 1.00 0.00 C ATOM 288 C THR A 18 3.448 -4.653 6.481 1.00 0.00 C ATOM 289 O THR A 18 3.764 -4.323 7.609 1.00 0.00 O ATOM 290 CB THR A 18 5.376 -6.118 5.796 1.00 0.00 C ATOM 291 OG1 THR A 18 5.959 -5.891 7.071 1.00 0.00 O ATOM 292 CG2 THR A 18 6.484 -6.327 4.757 1.00 0.00 C ATOM 0 H THR A 18 6.369 -3.918 5.772 1.00 0.00 H new ATOM 0 HA THR A 18 3.989 -5.071 4.467 1.00 0.00 H new ATOM 0 HB THR A 18 4.749 -7.009 5.831 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.395 -5.275 7.584 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.091 -7.186 5.041 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.037 -6.506 3.779 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.113 -5.438 4.711 1.00 0.00 H new ATOM 300 N ILE A 19 2.192 -4.804 6.138 1.00 0.00 N ATOM 301 CA ILE A 19 1.109 -4.568 7.145 1.00 0.00 C ATOM 302 C ILE A 19 -0.018 -5.595 6.987 1.00 0.00 C ATOM 303 O ILE A 19 -0.353 -6.002 5.890 1.00 0.00 O ATOM 304 CB ILE A 19 0.594 -3.149 6.875 1.00 0.00 C ATOM 305 CG1 ILE A 19 0.046 -3.047 5.444 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.741 -2.149 7.053 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.479 -3.190 5.465 1.00 0.00 C ATOM 0 H ILE A 19 1.870 -5.079 5.210 1.00 0.00 H new ATOM 0 HA ILE A 19 1.481 -4.673 8.164 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.207 -2.922 7.579 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.325 -2.089 5.004 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.485 -3.825 4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.377 -1.140 6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.122 -2.210 8.072 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.542 -2.385 6.352 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.865 -3.117 4.448 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.748 -4.158 5.887 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.911 -2.396 6.075 1.00 0.00 H new ATOM 319 N GLU A 20 -0.605 -6.008 8.083 1.00 0.00 N ATOM 320 CA GLU A 20 -1.716 -7.004 8.018 1.00 0.00 C ATOM 321 C GLU A 20 -3.037 -6.294 7.716 1.00 0.00 C ATOM 322 O GLU A 20 -3.232 -5.150 8.082 1.00 0.00 O ATOM 323 CB GLU A 20 -1.757 -7.644 9.407 1.00 0.00 C ATOM 324 CG GLU A 20 -2.426 -9.018 9.316 1.00 0.00 C ATOM 325 CD GLU A 20 -3.154 -9.320 10.628 1.00 0.00 C ATOM 326 OE1 GLU A 20 -4.145 -8.661 10.898 1.00 0.00 O ATOM 327 OE2 GLU A 20 -2.709 -10.206 11.339 1.00 0.00 O ATOM 0 H GLU A 20 -0.361 -5.696 9.023 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.564 -7.745 7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.746 -7.745 9.803 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.307 -7.005 10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.130 -9.037 8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.678 -9.786 9.118 1.00 0.00 H new ATOM 334 N ALA A 21 -3.940 -6.963 7.048 1.00 0.00 N ATOM 335 CA ALA A 21 -5.250 -6.330 6.715 1.00 0.00 C ATOM 336 C ALA A 21 -6.268 -7.396 6.304 1.00 0.00 C ATOM 337 O ALA A 21 -5.913 -8.451 5.811 1.00 0.00 O ATOM 338 CB ALA A 21 -4.947 -5.399 5.542 1.00 0.00 C ATOM 0 H ALA A 21 -3.826 -7.922 6.718 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.679 -5.796 7.563 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.862 -4.892 5.234 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.207 -4.659 5.847 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.556 -5.981 4.707 1.00 0.00 H new ATOM 344 N VAL A 22 -7.536 -7.126 6.500 1.00 0.00 N ATOM 345 CA VAL A 22 -8.599 -8.112 6.124 1.00 0.00 C ATOM 346 C VAL A 22 -8.421 -8.564 4.665 1.00 0.00 C ATOM 347 O VAL A 22 -8.603 -9.720 4.333 1.00 0.00 O ATOM 348 CB VAL A 22 -9.925 -7.359 6.306 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.953 -6.122 5.400 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.095 -8.280 5.946 1.00 0.00 C ATOM 0 H VAL A 22 -7.883 -6.258 6.908 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.559 -9.014 6.735 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.015 -7.045 7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.897 -5.593 5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.126 -5.461 5.661 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.856 -6.431 4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.034 -7.743 6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.001 -8.600 4.908 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.084 -9.154 6.597 1.00 0.00 H new ATOM 360 N ASP A 23 -8.061 -7.650 3.804 1.00 0.00 N ATOM 361 CA ASP A 23 -7.858 -7.994 2.367 1.00 0.00 C ATOM 362 C ASP A 23 -6.978 -6.932 1.712 1.00 0.00 C ATOM 363 O ASP A 23 -6.653 -5.930 2.322 1.00 0.00 O ATOM 364 CB ASP A 23 -9.256 -7.986 1.750 1.00 0.00 C ATOM 365 CG ASP A 23 -9.855 -9.391 1.821 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.125 -10.338 1.578 1.00 0.00 O ATOM 367 OD2 ASP A 23 -11.033 -9.498 2.118 1.00 0.00 O ATOM 0 H ASP A 23 -7.897 -6.671 4.037 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.367 -8.958 2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.895 -7.280 2.281 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.205 -7.653 0.713 1.00 0.00 H new ATOM 372 N ALA A 24 -6.590 -7.135 0.478 1.00 0.00 N ATOM 373 CA ALA A 24 -5.729 -6.124 -0.208 1.00 0.00 C ATOM 374 C ALA A 24 -6.467 -4.786 -0.293 1.00 0.00 C ATOM 375 O ALA A 24 -5.864 -3.731 -0.271 1.00 0.00 O ATOM 376 CB ALA A 24 -5.467 -6.678 -1.607 1.00 0.00 C ATOM 0 H ALA A 24 -6.831 -7.953 -0.082 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.797 -5.951 0.331 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.839 -5.981 -2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.960 -7.640 -1.528 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.414 -6.809 -2.130 1.00 0.00 H new ATOM 382 N ALA A 25 -7.777 -4.828 -0.380 1.00 0.00 N ATOM 383 CA ALA A 25 -8.572 -3.566 -0.457 1.00 0.00 C ATOM 384 C ALA A 25 -8.274 -2.690 0.762 1.00 0.00 C ATOM 385 O ALA A 25 -8.086 -1.493 0.651 1.00 0.00 O ATOM 386 CB ALA A 25 -10.038 -4.007 -0.456 1.00 0.00 C ATOM 0 H ALA A 25 -8.328 -5.686 -0.401 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.331 -2.980 -1.344 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.682 -3.129 -0.511 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.225 -4.649 -1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.252 -4.557 0.460 1.00 0.00 H new ATOM 392 N GLU A 26 -8.208 -3.293 1.923 1.00 0.00 N ATOM 393 CA GLU A 26 -7.898 -2.515 3.158 1.00 0.00 C ATOM 394 C GLU A 26 -6.418 -2.134 3.141 1.00 0.00 C ATOM 395 O GLU A 26 -6.053 -1.006 3.410 1.00 0.00 O ATOM 396 CB GLU A 26 -8.210 -3.462 4.324 1.00 0.00 C ATOM 397 CG GLU A 26 -9.113 -2.756 5.343 1.00 0.00 C ATOM 398 CD GLU A 26 -8.274 -2.271 6.528 1.00 0.00 C ATOM 399 OE1 GLU A 26 -7.700 -1.200 6.424 1.00 0.00 O ATOM 400 OE2 GLU A 26 -8.221 -2.981 7.519 1.00 0.00 O ATOM 0 H GLU A 26 -8.356 -4.292 2.067 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.475 -1.594 3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.701 -4.361 3.952 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.284 -3.779 4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.618 -1.912 4.873 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.889 -3.438 5.690 1.00 0.00 H new ATOM 407 N ALA A 27 -5.563 -3.071 2.800 1.00 0.00 N ATOM 408 CA ALA A 27 -4.096 -2.770 2.732 1.00 0.00 C ATOM 409 C ALA A 27 -3.856 -1.586 1.795 1.00 0.00 C ATOM 410 O ALA A 27 -3.110 -0.677 2.105 1.00 0.00 O ATOM 411 CB ALA A 27 -3.440 -4.029 2.160 1.00 0.00 C ATOM 0 H ALA A 27 -5.818 -4.031 2.566 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.688 -2.512 3.709 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.364 -3.876 2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.640 -4.875 2.818 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.848 -4.234 1.170 1.00 0.00 H new ATOM 417 N GLU A 28 -4.507 -1.585 0.653 1.00 0.00 N ATOM 418 CA GLU A 28 -4.339 -0.452 -0.304 1.00 0.00 C ATOM 419 C GLU A 28 -4.769 0.847 0.374 1.00 0.00 C ATOM 420 O GLU A 28 -4.152 1.871 0.195 1.00 0.00 O ATOM 421 CB GLU A 28 -5.250 -0.767 -1.493 1.00 0.00 C ATOM 422 CG GLU A 28 -4.788 0.031 -2.719 1.00 0.00 C ATOM 423 CD GLU A 28 -5.803 -0.141 -3.850 1.00 0.00 C ATOM 424 OE1 GLU A 28 -6.989 -0.072 -3.572 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.377 -0.340 -4.977 1.00 0.00 O ATOM 0 H GLU A 28 -5.145 -2.320 0.347 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.305 -0.333 -0.626 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.225 -1.835 -1.711 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.282 -0.515 -1.250 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.688 1.086 -2.463 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.806 -0.314 -3.042 1.00 0.00 H new ATOM 432 N LYS A 29 -5.809 0.802 1.172 1.00 0.00 N ATOM 433 CA LYS A 29 -6.261 2.035 1.885 1.00 0.00 C ATOM 434 C LYS A 29 -5.207 2.429 2.924 1.00 0.00 C ATOM 435 O LYS A 29 -4.736 3.553 2.957 1.00 0.00 O ATOM 436 CB LYS A 29 -7.577 1.657 2.568 1.00 0.00 C ATOM 437 CG LYS A 29 -8.715 1.639 1.538 1.00 0.00 C ATOM 438 CD LYS A 29 -9.628 2.852 1.748 1.00 0.00 C ATOM 439 CE LYS A 29 -8.917 4.121 1.272 1.00 0.00 C ATOM 440 NZ LYS A 29 -9.668 5.241 1.902 1.00 0.00 N ATOM 0 H LYS A 29 -6.362 -0.034 1.359 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.397 2.882 1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.485 0.678 3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.803 2.370 3.360 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.304 1.653 0.529 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.291 0.718 1.635 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.560 2.718 1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.890 2.944 2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.871 4.126 1.578 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.932 4.198 0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.240 6.147 1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.659 5.215 1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.631 5.145 2.937 1.00 0.00 H new ATOM 454 N ILE A 30 -4.814 1.494 3.758 1.00 0.00 N ATOM 455 CA ILE A 30 -3.768 1.789 4.789 1.00 0.00 C ATOM 456 C ILE A 30 -2.497 2.264 4.083 1.00 0.00 C ATOM 457 O ILE A 30 -1.809 3.154 4.546 1.00 0.00 O ATOM 458 CB ILE A 30 -3.526 0.459 5.518 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.810 0.020 6.228 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.413 0.631 6.557 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.691 -1.448 6.655 1.00 0.00 C ATOM 0 H ILE A 30 -5.173 0.539 3.769 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.069 2.569 5.489 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.232 -0.296 4.789 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.987 0.649 7.100 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.665 0.147 5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.246 -0.316 7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.494 0.941 6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.706 1.391 7.282 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.607 -1.756 7.160 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.535 -2.071 5.775 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.847 -1.562 7.335 1.00 0.00 H new ATOM 473 N PHE A 31 -2.202 1.681 2.951 1.00 0.00 N ATOM 474 CA PHE A 31 -0.998 2.098 2.181 1.00 0.00 C ATOM 475 C PHE A 31 -1.287 3.434 1.498 1.00 0.00 C ATOM 476 O PHE A 31 -0.425 4.283 1.376 1.00 0.00 O ATOM 477 CB PHE A 31 -0.783 0.993 1.140 1.00 0.00 C ATOM 478 CG PHE A 31 0.012 -0.140 1.745 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.210 0.122 2.419 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.447 -1.456 1.620 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.950 -0.931 2.969 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.292 -2.510 2.171 1.00 0.00 C ATOM 483 CZ PHE A 31 1.491 -2.247 2.845 1.00 0.00 C ATOM 0 H PHE A 31 -2.747 0.931 2.526 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.115 2.228 2.807 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.745 0.624 0.785 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.257 1.395 0.274 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.564 1.138 2.515 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.371 -1.659 1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.875 -0.728 3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.063 -3.526 2.076 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.062 -3.060 3.269 1.00 0.00 H new ATOM 493 N LYS A 32 -2.507 3.620 1.059 1.00 0.00 N ATOM 494 CA LYS A 32 -2.889 4.891 0.385 1.00 0.00 C ATOM 495 C LYS A 32 -3.124 6.014 1.407 1.00 0.00 C ATOM 496 O LYS A 32 -3.443 7.129 1.039 1.00 0.00 O ATOM 497 CB LYS A 32 -4.177 4.582 -0.376 1.00 0.00 C ATOM 498 CG LYS A 32 -3.841 3.820 -1.663 1.00 0.00 C ATOM 499 CD LYS A 32 -3.849 4.785 -2.852 1.00 0.00 C ATOM 500 CE LYS A 32 -5.267 5.323 -3.069 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.100 6.794 -3.240 1.00 0.00 N ATOM 0 H LYS A 32 -3.259 2.936 1.141 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.097 5.239 -0.278 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.846 3.988 0.247 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.701 5.507 -0.615 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.863 3.348 -1.572 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.566 3.023 -1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.161 5.610 -2.668 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.502 4.274 -3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.729 4.874 -3.948 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.910 5.095 -2.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.030 7.233 -3.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.664 7.196 -2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.489 6.981 -4.061 1.00 0.00 H new ATOM 515 N GLN A 33 -2.920 5.749 2.677 1.00 0.00 N ATOM 516 CA GLN A 33 -3.077 6.824 3.705 1.00 0.00 C ATOM 517 C GLN A 33 -1.663 7.166 4.129 1.00 0.00 C ATOM 518 O GLN A 33 -1.241 8.305 4.158 1.00 0.00 O ATOM 519 CB GLN A 33 -3.865 6.190 4.852 1.00 0.00 C ATOM 520 CG GLN A 33 -4.009 7.197 5.993 1.00 0.00 C ATOM 521 CD GLN A 33 -5.003 6.659 7.026 1.00 0.00 C ATOM 522 OE1 GLN A 33 -4.720 5.701 7.717 1.00 0.00 O ATOM 523 NE2 GLN A 33 -6.165 7.239 7.160 1.00 0.00 N ATOM 0 H GLN A 33 -2.652 4.836 3.044 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.594 7.722 3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.849 5.879 4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.354 5.294 5.206 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.041 7.373 6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -4.354 8.155 5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -6.403 8.044 6.580 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -6.834 6.888 7.845 1.00 0.00 H new ATOM 532 N TYR A 34 -0.916 6.130 4.375 1.00 0.00 N ATOM 533 CA TYR A 34 0.524 6.246 4.718 1.00 0.00 C ATOM 534 C TYR A 34 1.229 7.103 3.641 1.00 0.00 C ATOM 535 O TYR A 34 2.167 7.826 3.913 1.00 0.00 O ATOM 536 CB TYR A 34 0.954 4.772 4.659 1.00 0.00 C ATOM 537 CG TYR A 34 2.456 4.627 4.511 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.291 4.882 5.605 1.00 0.00 C ATOM 539 CD2 TYR A 34 3.009 4.239 3.285 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.678 4.750 5.475 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.397 4.106 3.154 1.00 0.00 C ATOM 542 CZ TYR A 34 5.231 4.361 4.249 1.00 0.00 C ATOM 543 OH TYR A 34 6.598 4.230 4.120 1.00 0.00 O ATOM 0 H TYR A 34 -1.260 5.170 4.351 1.00 0.00 H new ATOM 0 HA TYR A 34 0.755 6.723 5.671 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.628 4.262 5.565 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.458 4.282 3.821 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.864 5.181 6.551 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.365 4.042 2.440 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.321 4.948 6.320 1.00 0.00 H new ATOM 0 HE2 TYR A 34 4.824 3.807 2.208 1.00 0.00 H new ATOM 0 HH TYR A 34 6.984 3.970 4.982 1.00 0.00 H new ATOM 553 N ALA A 35 0.747 7.023 2.424 1.00 0.00 N ATOM 554 CA ALA A 35 1.335 7.824 1.308 1.00 0.00 C ATOM 555 C ALA A 35 1.053 9.309 1.557 1.00 0.00 C ATOM 556 O ALA A 35 1.951 10.106 1.749 1.00 0.00 O ATOM 557 CB ALA A 35 0.591 7.365 0.048 1.00 0.00 C ATOM 0 H ALA A 35 -0.038 6.430 2.155 1.00 0.00 H new ATOM 0 HA ALA A 35 2.413 7.688 1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.969 7.910 -0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.749 6.297 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.475 7.561 0.163 1.00 0.00 H new ATOM 563 N ASN A 36 -0.205 9.672 1.549 1.00 0.00 N ATOM 564 CA ASN A 36 -0.598 11.099 1.778 1.00 0.00 C ATOM 565 C ASN A 36 -0.029 11.612 3.099 1.00 0.00 C ATOM 566 O ASN A 36 0.420 12.739 3.194 1.00 0.00 O ATOM 567 CB ASN A 36 -2.124 11.081 1.844 1.00 0.00 C ATOM 568 CG ASN A 36 -2.693 10.759 0.460 1.00 0.00 C ATOM 569 OD1 ASN A 36 -2.882 11.642 -0.353 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.975 9.522 0.155 1.00 0.00 N ATOM 0 H ASN A 36 -0.986 9.035 1.392 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.219 11.753 0.992 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.458 10.338 2.568 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.495 12.047 2.185 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.354 9.297 -0.765 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.817 8.780 0.837 1.00 0.00 H new ATOM 577 N ASP A 37 -0.049 10.791 4.121 1.00 0.00 N ATOM 578 CA ASP A 37 0.489 11.216 5.459 1.00 0.00 C ATOM 579 C ASP A 37 1.881 11.837 5.314 1.00 0.00 C ATOM 580 O ASP A 37 2.284 12.678 6.096 1.00 0.00 O ATOM 581 CB ASP A 37 0.557 9.936 6.292 1.00 0.00 C ATOM 582 CG ASP A 37 0.885 10.289 7.745 1.00 0.00 C ATOM 583 OD1 ASP A 37 0.203 11.137 8.295 1.00 0.00 O ATOM 584 OD2 ASP A 37 1.812 9.705 8.280 1.00 0.00 O ATOM 0 H ASP A 37 -0.416 9.840 4.089 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.142 11.973 5.925 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.394 9.406 6.241 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.317 9.267 5.889 1.00 0.00 H new ATOM 589 N ASN A 38 2.600 11.432 4.308 1.00 0.00 N ATOM 590 CA ASN A 38 3.955 11.988 4.074 1.00 0.00 C ATOM 591 C ASN A 38 3.931 12.933 2.868 1.00 0.00 C ATOM 592 O ASN A 38 4.399 14.054 2.931 1.00 0.00 O ATOM 593 CB ASN A 38 4.844 10.776 3.797 1.00 0.00 C ATOM 594 CG ASN A 38 6.302 11.134 4.090 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.590 11.823 5.049 1.00 0.00 O ATOM 596 ND2 ASN A 38 7.242 10.690 3.299 1.00 0.00 N ATOM 0 H ASN A 38 2.301 10.731 3.630 1.00 0.00 H new ATOM 0 HA ASN A 38 4.319 12.566 4.924 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.534 9.935 4.417 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.737 10.463 2.758 1.00 0.00 H new ATOM 0 HD21 ASN A 38 8.218 10.922 3.486 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.000 10.112 2.494 1.00 0.00 H new ATOM 603 N GLY A 39 3.390 12.475 1.770 1.00 0.00 N ATOM 604 CA GLY A 39 3.324 13.315 0.540 1.00 0.00 C ATOM 605 C GLY A 39 3.607 12.415 -0.656 1.00 0.00 C ATOM 606 O GLY A 39 4.611 12.553 -1.330 1.00 0.00 O ATOM 0 H GLY A 39 2.986 11.543 1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.341 13.777 0.446 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.053 14.124 0.590 1.00 0.00 H new ATOM 610 N ILE A 40 2.750 11.457 -0.886 1.00 0.00 N ATOM 611 CA ILE A 40 2.969 10.490 -1.991 1.00 0.00 C ATOM 612 C ILE A 40 1.814 10.573 -2.996 1.00 0.00 C ATOM 613 O ILE A 40 0.657 10.543 -2.622 1.00 0.00 O ATOM 614 CB ILE A 40 2.966 9.168 -1.236 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.156 9.162 -0.222 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.995 7.975 -2.207 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.254 8.177 -0.611 1.00 0.00 C ATOM 0 H ILE A 40 1.898 11.305 -0.346 1.00 0.00 H new ATOM 0 HA ILE A 40 3.874 10.653 -2.577 1.00 0.00 H new ATOM 0 HB ILE A 40 2.041 9.063 -0.670 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.579 10.165 -0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.782 8.910 0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.992 7.044 -1.640 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.117 8.010 -2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.896 8.025 -2.818 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.055 8.215 0.128 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.842 7.169 -0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.651 8.443 -1.591 1.00 0.00 H new ATOM 629 N ASP A 41 2.121 10.682 -4.265 1.00 0.00 N ATOM 630 CA ASP A 41 1.038 10.771 -5.295 1.00 0.00 C ATOM 631 C ASP A 41 1.623 10.672 -6.706 1.00 0.00 C ATOM 632 O ASP A 41 2.140 11.634 -7.242 1.00 0.00 O ATOM 633 CB ASP A 41 0.395 12.144 -5.085 1.00 0.00 C ATOM 634 CG ASP A 41 -0.903 12.228 -5.891 1.00 0.00 C ATOM 635 OD1 ASP A 41 -0.865 11.914 -7.069 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.910 12.606 -5.317 1.00 0.00 O ATOM 0 H ASP A 41 3.072 10.713 -4.632 1.00 0.00 H new ATOM 0 HA ASP A 41 0.318 9.959 -5.193 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.189 12.303 -4.026 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.082 12.931 -5.398 1.00 0.00 H new ATOM 641 N GLY A 42 1.540 9.514 -7.308 1.00 0.00 N ATOM 642 CA GLY A 42 2.081 9.335 -8.686 1.00 0.00 C ATOM 643 C GLY A 42 1.495 8.063 -9.306 1.00 0.00 C ATOM 644 O GLY A 42 0.875 8.103 -10.353 1.00 0.00 O ATOM 0 H GLY A 42 1.118 8.680 -6.900 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.831 10.200 -9.301 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.169 9.269 -8.655 1.00 0.00 H new ATOM 648 N GLU A 43 1.691 6.936 -8.667 1.00 0.00 N ATOM 649 CA GLU A 43 1.152 5.651 -9.213 1.00 0.00 C ATOM 650 C GLU A 43 0.619 4.767 -8.083 1.00 0.00 C ATOM 651 O GLU A 43 0.864 5.022 -6.924 1.00 0.00 O ATOM 652 CB GLU A 43 2.343 4.962 -9.887 1.00 0.00 C ATOM 653 CG GLU A 43 2.846 5.811 -11.059 1.00 0.00 C ATOM 654 CD GLU A 43 1.753 5.918 -12.125 1.00 0.00 C ATOM 655 OE1 GLU A 43 1.101 4.918 -12.380 1.00 0.00 O ATOM 656 OE2 GLU A 43 1.584 6.999 -12.666 1.00 0.00 O ATOM 0 H GLU A 43 2.202 6.850 -7.789 1.00 0.00 H new ATOM 0 HA GLU A 43 0.328 5.827 -9.905 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.145 4.814 -9.164 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.049 3.975 -10.243 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.123 6.805 -10.708 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.742 5.362 -11.487 1.00 0.00 H new ATOM 663 N TRP A 44 -0.090 3.721 -8.432 1.00 0.00 N ATOM 664 CA TRP A 44 -0.642 2.772 -7.412 1.00 0.00 C ATOM 665 C TRP A 44 -1.057 1.481 -8.110 1.00 0.00 C ATOM 666 O TRP A 44 -2.032 1.451 -8.838 1.00 0.00 O ATOM 667 CB TRP A 44 -1.881 3.447 -6.815 1.00 0.00 C ATOM 668 CG TRP A 44 -1.493 4.268 -5.641 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.411 5.618 -5.602 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.145 3.795 -4.324 1.00 0.00 C ATOM 671 NE1 TRP A 44 -1.005 5.998 -4.335 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.830 4.904 -3.509 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.067 2.509 -3.772 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.446 4.744 -2.181 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.682 2.341 -2.432 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.369 3.459 -1.641 1.00 0.00 C ATOM 0 H TRP A 44 -0.314 3.480 -9.398 1.00 0.00 H new ATOM 0 HA TRP A 44 0.092 2.538 -6.641 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.361 4.075 -7.566 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.609 2.692 -6.517 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.626 6.287 -6.422 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.854 6.965 -4.047 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.303 1.647 -4.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.210 5.606 -1.574 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.626 1.349 -2.008 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.068 3.324 -0.613 1.00 0.00 H new ATOM 687 N THR A 45 -0.326 0.418 -7.903 1.00 0.00 N ATOM 688 CA THR A 45 -0.684 -0.871 -8.571 1.00 0.00 C ATOM 689 C THR A 45 -0.630 -2.005 -7.565 1.00 0.00 C ATOM 690 O THR A 45 0.340 -2.162 -6.852 1.00 0.00 O ATOM 691 CB THR A 45 0.363 -1.099 -9.668 1.00 0.00 C ATOM 692 OG1 THR A 45 1.588 -1.511 -9.078 1.00 0.00 O ATOM 693 CG2 THR A 45 0.589 0.187 -10.463 1.00 0.00 C ATOM 0 H THR A 45 0.499 0.384 -7.304 1.00 0.00 H new ATOM 0 HA THR A 45 -1.691 -0.835 -8.986 1.00 0.00 H new ATOM 0 HB THR A 45 0.001 -1.874 -10.344 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.256 -1.658 -9.780 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.335 0.009 -11.238 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.348 0.498 -10.925 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.941 0.972 -9.793 1.00 0.00 H new ATOM 701 N TYR A 46 -1.658 -2.802 -7.517 1.00 0.00 N ATOM 702 CA TYR A 46 -1.672 -3.946 -6.563 1.00 0.00 C ATOM 703 C TYR A 46 -1.153 -5.209 -7.267 1.00 0.00 C ATOM 704 O TYR A 46 -1.613 -5.566 -8.337 1.00 0.00 O ATOM 705 CB TYR A 46 -3.141 -4.102 -6.132 1.00 0.00 C ATOM 706 CG TYR A 46 -3.311 -5.402 -5.376 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.544 -5.643 -4.233 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.210 -6.372 -5.835 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.676 -6.851 -3.543 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.339 -7.584 -5.147 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.574 -7.823 -4.001 1.00 0.00 C ATOM 712 OH TYR A 46 -3.703 -9.019 -3.325 1.00 0.00 O ATOM 0 H TYR A 46 -2.492 -2.712 -8.098 1.00 0.00 H new ATOM 0 HA TYR A 46 -1.030 -3.782 -5.698 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.438 -3.262 -5.504 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.791 -4.090 -7.007 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.848 -4.895 -3.883 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.803 -6.185 -6.718 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.086 -7.035 -2.657 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.030 -8.335 -5.501 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.369 -9.579 -3.776 1.00 0.00 H new ATOM 722 N ASP A 47 -0.213 -5.886 -6.663 1.00 0.00 N ATOM 723 CA ASP A 47 0.329 -7.132 -7.274 1.00 0.00 C ATOM 724 C ASP A 47 -0.354 -8.348 -6.644 1.00 0.00 C ATOM 725 O ASP A 47 0.023 -8.800 -5.579 1.00 0.00 O ATOM 726 CB ASP A 47 1.823 -7.121 -6.951 1.00 0.00 C ATOM 727 CG ASP A 47 2.580 -7.952 -7.989 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.189 -9.087 -8.209 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.537 -7.440 -8.544 1.00 0.00 O ATOM 0 H ASP A 47 0.204 -5.627 -5.769 1.00 0.00 H new ATOM 0 HA ASP A 47 0.155 -7.183 -8.349 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.197 -6.097 -6.948 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.992 -7.526 -5.953 1.00 0.00 H new ATOM 734 N ASP A 48 -1.360 -8.877 -7.296 1.00 0.00 N ATOM 735 CA ASP A 48 -2.085 -10.066 -6.741 1.00 0.00 C ATOM 736 C ASP A 48 -1.208 -11.330 -6.778 1.00 0.00 C ATOM 737 O ASP A 48 -1.587 -12.364 -6.261 1.00 0.00 O ATOM 738 CB ASP A 48 -3.320 -10.240 -7.633 1.00 0.00 C ATOM 739 CG ASP A 48 -2.887 -10.470 -9.084 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.478 -11.578 -9.392 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.971 -9.534 -9.862 1.00 0.00 O ATOM 0 H ASP A 48 -1.712 -8.537 -8.191 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.351 -9.914 -5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.915 -11.084 -7.284 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.953 -9.355 -7.569 1.00 0.00 H new ATOM 746 N ALA A 49 -0.045 -11.257 -7.377 1.00 0.00 N ATOM 747 CA ALA A 49 0.852 -12.447 -7.439 1.00 0.00 C ATOM 748 C ALA A 49 1.813 -12.428 -6.250 1.00 0.00 C ATOM 749 O ALA A 49 2.267 -13.460 -5.791 1.00 0.00 O ATOM 750 CB ALA A 49 1.615 -12.309 -8.761 1.00 0.00 C ATOM 0 H ALA A 49 0.321 -10.418 -7.827 1.00 0.00 H new ATOM 0 HA ALA A 49 0.303 -13.388 -7.394 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.297 -13.151 -8.877 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.907 -12.298 -9.590 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.184 -11.379 -8.757 1.00 0.00 H new ATOM 756 N THR A 50 2.113 -11.259 -5.738 1.00 0.00 N ATOM 757 CA THR A 50 3.029 -11.162 -4.569 1.00 0.00 C ATOM 758 C THR A 50 2.344 -10.406 -3.422 1.00 0.00 C ATOM 759 O THR A 50 2.960 -10.105 -2.419 1.00 0.00 O ATOM 760 CB THR A 50 4.240 -10.379 -5.078 1.00 0.00 C ATOM 761 OG1 THR A 50 3.815 -9.107 -5.549 1.00 0.00 O ATOM 762 CG2 THR A 50 4.905 -11.150 -6.219 1.00 0.00 C ATOM 0 H THR A 50 1.759 -10.367 -6.084 1.00 0.00 H new ATOM 0 HA THR A 50 3.310 -12.141 -4.182 1.00 0.00 H new ATOM 0 HB THR A 50 4.955 -10.247 -4.266 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.590 -8.603 -5.874 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.768 -10.591 -6.581 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.230 -12.126 -5.858 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.192 -11.283 -7.032 1.00 0.00 H new ATOM 770 N LYS A 51 1.068 -10.092 -3.563 1.00 0.00 N ATOM 771 CA LYS A 51 0.340 -9.349 -2.482 1.00 0.00 C ATOM 772 C LYS A 51 1.085 -8.057 -2.132 1.00 0.00 C ATOM 773 O LYS A 51 1.180 -7.676 -0.980 1.00 0.00 O ATOM 774 CB LYS A 51 0.305 -10.298 -1.276 1.00 0.00 C ATOM 775 CG LYS A 51 -0.411 -11.601 -1.659 1.00 0.00 C ATOM 776 CD LYS A 51 -1.819 -11.615 -1.057 1.00 0.00 C ATOM 777 CE LYS A 51 -1.776 -12.264 0.329 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.113 -11.988 0.924 1.00 0.00 N ATOM 0 H LYS A 51 0.504 -10.320 -4.382 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.665 -9.063 -2.793 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.320 -10.515 -0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.210 -9.821 -0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.468 -11.690 -2.744 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.157 -12.459 -1.299 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.204 -10.598 -0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.498 -12.166 -1.707 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.589 -13.335 0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.978 -11.841 0.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.091 -12.202 1.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.354 -10.986 0.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.829 -12.583 0.461 1.00 0.00 H new ATOM 792 N THR A 52 1.621 -7.390 -3.122 1.00 0.00 N ATOM 793 CA THR A 52 2.370 -6.123 -2.856 1.00 0.00 C ATOM 794 C THR A 52 1.889 -5.002 -3.785 1.00 0.00 C ATOM 795 O THR A 52 1.739 -5.195 -4.976 1.00 0.00 O ATOM 796 CB THR A 52 3.832 -6.465 -3.143 1.00 0.00 C ATOM 797 OG1 THR A 52 4.192 -7.636 -2.424 1.00 0.00 O ATOM 798 CG2 THR A 52 4.726 -5.302 -2.707 1.00 0.00 C ATOM 0 H THR A 52 1.573 -7.667 -4.103 1.00 0.00 H new ATOM 0 HA THR A 52 2.221 -5.767 -1.837 1.00 0.00 H new ATOM 0 HB THR A 52 3.962 -6.639 -4.211 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.661 -8.394 -2.747 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.768 -5.547 -2.912 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.449 -4.404 -3.259 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.598 -5.126 -1.639 1.00 0.00 H new ATOM 806 N PHE A 53 1.656 -3.829 -3.246 1.00 0.00 N ATOM 807 CA PHE A 53 1.192 -2.687 -4.094 1.00 0.00 C ATOM 808 C PHE A 53 2.410 -1.944 -4.666 1.00 0.00 C ATOM 809 O PHE A 53 3.533 -2.385 -4.503 1.00 0.00 O ATOM 810 CB PHE A 53 0.387 -1.790 -3.150 1.00 0.00 C ATOM 811 CG PHE A 53 -0.915 -2.471 -2.782 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.925 -3.484 -1.814 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.112 -2.087 -3.403 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.129 -4.112 -1.465 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.313 -2.717 -3.053 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.322 -3.727 -2.086 1.00 0.00 C ATOM 0 H PHE A 53 1.767 -3.614 -2.255 1.00 0.00 H new ATOM 0 HA PHE A 53 0.588 -3.007 -4.943 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.966 -1.581 -2.250 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.184 -0.832 -3.628 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.004 -3.782 -1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.108 -1.307 -4.150 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.135 -4.892 -0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.235 -2.422 -3.532 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.250 -4.210 -1.818 1.00 0.00 H new ATOM 826 N THR A 54 2.212 -0.823 -5.333 1.00 0.00 N ATOM 827 CA THR A 54 3.375 -0.076 -5.899 1.00 0.00 C ATOM 828 C THR A 54 2.984 1.386 -6.060 1.00 0.00 C ATOM 829 O THR A 54 2.246 1.742 -6.960 1.00 0.00 O ATOM 830 CB THR A 54 3.663 -0.712 -7.266 1.00 0.00 C ATOM 831 OG1 THR A 54 3.341 -2.097 -7.237 1.00 0.00 O ATOM 832 CG2 THR A 54 5.146 -0.544 -7.601 1.00 0.00 C ATOM 0 H THR A 54 1.299 -0.401 -5.505 1.00 0.00 H new ATOM 0 HA THR A 54 4.255 -0.124 -5.258 1.00 0.00 H new ATOM 0 HB THR A 54 3.054 -0.219 -8.024 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.684 -2.295 -7.936 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.353 -0.995 -8.571 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.394 0.517 -7.634 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.749 -1.034 -6.837 1.00 0.00 H new ATOM 840 N VAL A 55 3.452 2.229 -5.181 1.00 0.00 N ATOM 841 CA VAL A 55 3.082 3.669 -5.265 1.00 0.00 C ATOM 842 C VAL A 55 4.310 4.545 -5.515 1.00 0.00 C ATOM 843 O VAL A 55 5.400 4.262 -5.054 1.00 0.00 O ATOM 844 CB VAL A 55 2.423 3.997 -3.914 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.369 3.636 -2.771 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.083 5.491 -3.838 1.00 0.00 C ATOM 0 H VAL A 55 4.073 1.983 -4.410 1.00 0.00 H new ATOM 0 HA VAL A 55 2.408 3.865 -6.099 1.00 0.00 H new ATOM 0 HB VAL A 55 1.506 3.415 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.895 3.871 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.597 2.571 -2.810 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.292 4.208 -2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.617 5.710 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.996 6.078 -3.941 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.394 5.749 -4.642 1.00 0.00 H new ATOM 856 N THR A 56 4.121 5.617 -6.240 1.00 0.00 N ATOM 857 CA THR A 56 5.253 6.544 -6.530 1.00 0.00 C ATOM 858 C THR A 56 4.735 7.984 -6.649 1.00 0.00 C ATOM 859 O THR A 56 3.585 8.257 -6.367 1.00 0.00 O ATOM 860 CB THR A 56 5.866 6.033 -7.853 1.00 0.00 C ATOM 861 OG1 THR A 56 7.161 6.599 -8.035 1.00 0.00 O ATOM 862 CG2 THR A 56 4.996 6.401 -9.057 1.00 0.00 C ATOM 0 H THR A 56 3.226 5.891 -6.645 1.00 0.00 H new ATOM 0 HA THR A 56 6.002 6.559 -5.738 1.00 0.00 H new ATOM 0 HB THR A 56 5.929 4.947 -7.788 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.473 6.415 -8.946 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.459 6.025 -9.969 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.008 5.956 -8.942 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.900 7.485 -9.119 1.00 0.00 H new ATOM 870 N GLU A 57 5.575 8.895 -7.067 1.00 0.00 N ATOM 871 CA GLU A 57 5.129 10.313 -7.207 1.00 0.00 C ATOM 872 C GLU A 57 5.672 10.913 -8.507 1.00 0.00 C ATOM 873 O GLU A 57 4.908 11.020 -9.452 1.00 0.00 O ATOM 874 CB GLU A 57 5.718 11.037 -5.994 1.00 0.00 C ATOM 875 CG GLU A 57 5.063 12.416 -5.853 1.00 0.00 C ATOM 876 CD GLU A 57 6.099 13.428 -5.361 1.00 0.00 C ATOM 877 OE1 GLU A 57 7.076 13.635 -6.063 1.00 0.00 O ATOM 878 OE2 GLU A 57 5.900 13.979 -4.291 1.00 0.00 O ATOM 879 OXT GLU A 57 6.843 11.256 -8.533 1.00 0.00 O ATOM 0 H GLU A 57 6.548 8.719 -7.317 1.00 0.00 H new ATOM 0 HA GLU A 57 4.043 10.402 -7.246 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.552 10.450 -5.091 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.796 11.145 -6.110 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.654 12.735 -6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.229 12.364 -5.153 1.00 0.00 H new