USER MOD reduce.3.24.130724 H: found=0, std=0, add=521, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 522 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 58 GLN : amide:sc= -0.185 K(o=-0.62,f=-4) USER MOD Set 1.2: A 61 GLN :FLIP amide:sc= -0.432 F(o=-3.9!,f=-0.62) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.0456 X(o=-0.046,f=-0.29) USER MOD Single : A 15 SER OG : rot 94:sc= -0.617 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00122 USER MOD Single : A 23 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.355) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc=-0.00796 X(o=-0.008,f=-0.064) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -1.85 K(o=-1.8,f=-8.2!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.878! USER MOD Single : A 52 GLN :FLIP amide:sc= 0.483 F(o=-0.72,f=0.48) USER MOD Single : A 53 SER OG : rot 160:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0185 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.0912 USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 3 -1.266 -12.860 1.005 1.00 0.00 N ATOM 20 CA ALA A 3 -1.584 -13.456 -0.280 1.00 0.00 C ATOM 21 C ALA A 3 -0.389 -13.294 -1.222 1.00 0.00 C ATOM 22 O ALA A 3 -0.317 -13.953 -2.258 1.00 0.00 O ATOM 23 CB ALA A 3 -2.858 -12.820 -0.838 1.00 0.00 C ATOM 0 HA ALA A 3 -1.775 -14.524 -0.171 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.096 -13.268 -1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.683 -12.990 -0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.705 -11.748 -0.964 1.00 0.00 H new ATOM 29 N GLY A 4 0.517 -12.412 -0.830 1.00 0.00 N ATOM 30 CA GLY A 4 1.705 -12.155 -1.626 1.00 0.00 C ATOM 31 C GLY A 4 2.238 -10.742 -1.375 1.00 0.00 C ATOM 32 O GLY A 4 1.822 -10.078 -0.428 1.00 0.00 O ATOM 0 H GLY A 4 0.453 -11.866 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.475 -12.887 -1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.472 -12.277 -2.684 1.00 0.00 H new ATOM 36 N LYS A 5 3.151 -10.326 -2.240 1.00 0.00 N ATOM 37 CA LYS A 5 3.745 -9.006 -2.124 1.00 0.00 C ATOM 38 C LYS A 5 3.064 -8.056 -3.113 1.00 0.00 C ATOM 39 O LYS A 5 2.723 -8.453 -4.225 1.00 0.00 O ATOM 40 CB LYS A 5 5.264 -9.084 -2.294 1.00 0.00 C ATOM 41 CG LYS A 5 5.865 -7.693 -2.500 1.00 0.00 C ATOM 42 CD LYS A 5 7.312 -7.788 -2.990 1.00 0.00 C ATOM 43 CE LYS A 5 7.394 -7.564 -4.502 1.00 0.00 C ATOM 44 NZ LYS A 5 8.698 -6.966 -4.867 1.00 0.00 N ATOM 0 H LYS A 5 3.494 -10.880 -3.025 1.00 0.00 H new ATOM 0 HA LYS A 5 3.580 -8.601 -1.126 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.708 -9.549 -1.414 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.506 -9.718 -3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.268 -7.138 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.830 -7.136 -1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.924 -7.047 -2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.721 -8.767 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.263 -8.512 -5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.584 -6.909 -4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.737 -6.821 -5.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.808 -6.052 -4.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.466 -7.605 -4.578 1.00 0.00 H new ATOM 58 N PHE A 6 2.887 -6.820 -2.669 1.00 0.00 N ATOM 59 CA PHE A 6 2.253 -5.811 -3.500 1.00 0.00 C ATOM 60 C PHE A 6 3.091 -4.531 -3.545 1.00 0.00 C ATOM 61 O PHE A 6 4.005 -4.355 -2.740 1.00 0.00 O ATOM 62 CB PHE A 6 0.897 -5.496 -2.865 1.00 0.00 C ATOM 63 CG PHE A 6 -0.090 -6.664 -2.895 1.00 0.00 C ATOM 64 CD1 PHE A 6 0.202 -7.818 -2.237 1.00 0.00 C ATOM 65 CD2 PHE A 6 -1.261 -6.548 -3.578 1.00 0.00 C ATOM 66 CE1 PHE A 6 -0.715 -8.902 -2.264 1.00 0.00 C ATOM 67 CE2 PHE A 6 -2.176 -7.633 -3.606 1.00 0.00 C ATOM 68 CZ PHE A 6 -1.884 -8.787 -2.948 1.00 0.00 C ATOM 0 H PHE A 6 3.172 -6.495 -1.745 1.00 0.00 H new ATOM 0 HA PHE A 6 2.149 -6.181 -4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.054 -5.193 -1.830 1.00 0.00 H new ATOM 0 HB3 PHE A 6 0.454 -4.646 -3.383 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.131 -7.910 -1.694 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.494 -5.631 -4.099 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -0.483 -9.818 -1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -3.104 -7.542 -4.150 1.00 0.00 H new ATOM 0 HZ PHE A 6 -2.581 -9.612 -2.969 1.00 0.00 H new ATOM 78 N ILE A 7 2.751 -3.672 -4.495 1.00 0.00 N ATOM 79 CA ILE A 7 3.461 -2.415 -4.655 1.00 0.00 C ATOM 80 C ILE A 7 2.454 -1.299 -4.939 1.00 0.00 C ATOM 81 O ILE A 7 1.929 -1.198 -6.046 1.00 0.00 O ATOM 82 CB ILE A 7 4.550 -2.547 -5.721 1.00 0.00 C ATOM 83 CG1 ILE A 7 4.883 -4.016 -5.986 1.00 0.00 C ATOM 84 CG2 ILE A 7 5.791 -1.738 -5.341 1.00 0.00 C ATOM 85 CD1 ILE A 7 6.021 -4.147 -7.000 1.00 0.00 C ATOM 0 H ILE A 7 1.993 -3.822 -5.161 1.00 0.00 H new ATOM 0 HA ILE A 7 3.980 -2.150 -3.734 1.00 0.00 H new ATOM 0 HB ILE A 7 4.167 -2.130 -6.653 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.166 -4.502 -5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.998 -4.531 -6.359 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.549 -1.850 -6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.524 -0.686 -5.244 1.00 0.00 H new ATOM 0 HG23 ILE A 7 6.186 -2.101 -4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.237 -5.202 -7.170 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.726 -3.681 -7.940 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.912 -3.652 -6.613 1.00 0.00 H new ATOM 97 N VAL A 8 2.216 -0.487 -3.919 1.00 0.00 N ATOM 98 CA VAL A 8 1.281 0.619 -4.045 1.00 0.00 C ATOM 99 C VAL A 8 2.052 1.940 -4.000 1.00 0.00 C ATOM 100 O VAL A 8 3.218 1.969 -3.612 1.00 0.00 O ATOM 101 CB VAL A 8 0.203 0.518 -2.964 1.00 0.00 C ATOM 102 CG1 VAL A 8 -0.133 -0.943 -2.659 1.00 0.00 C ATOM 103 CG2 VAL A 8 0.628 1.260 -1.696 1.00 0.00 C ATOM 0 H VAL A 8 2.654 -0.573 -3.002 1.00 0.00 H new ATOM 0 HA VAL A 8 0.765 0.576 -5.004 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.700 0.996 -3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.902 -0.986 -1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.499 -1.429 -3.564 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.762 -1.457 -2.308 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.156 1.173 -0.943 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.550 0.825 -1.312 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.793 2.312 -1.928 1.00 0.00 H new ATOM 113 N ILE A 9 1.368 3.001 -4.403 1.00 0.00 N ATOM 114 CA ILE A 9 1.973 4.321 -4.414 1.00 0.00 C ATOM 115 C ILE A 9 0.965 5.344 -3.887 1.00 0.00 C ATOM 116 O ILE A 9 -0.205 5.022 -3.686 1.00 0.00 O ATOM 117 CB ILE A 9 2.513 4.652 -5.807 1.00 0.00 C ATOM 118 CG1 ILE A 9 4.040 4.769 -5.789 1.00 0.00 C ATOM 119 CG2 ILE A 9 1.849 5.911 -6.368 1.00 0.00 C ATOM 120 CD1 ILE A 9 4.695 3.427 -6.123 1.00 0.00 C ATOM 0 H ILE A 9 0.400 2.973 -4.724 1.00 0.00 H new ATOM 0 HA ILE A 9 2.835 4.350 -3.748 1.00 0.00 H new ATOM 0 HB ILE A 9 2.260 3.829 -6.476 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.359 5.523 -6.508 1.00 0.00 H new ATOM 0 HG13 ILE A 9 4.371 5.105 -4.807 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.251 6.124 -7.359 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.773 5.754 -6.439 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.050 6.754 -5.706 1.00 0.00 H new ATOM 0 HD11 ILE A 9 5.779 3.537 -6.104 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.392 2.681 -5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 9 4.380 3.106 -7.116 1.00 0.00 H new ATOM 132 N PHE A 10 1.456 6.557 -3.677 1.00 0.00 N ATOM 133 CA PHE A 10 0.611 7.629 -3.177 1.00 0.00 C ATOM 134 C PHE A 10 0.771 8.893 -4.025 1.00 0.00 C ATOM 135 O PHE A 10 1.881 9.241 -4.425 1.00 0.00 O ATOM 136 CB PHE A 10 1.067 7.928 -1.747 1.00 0.00 C ATOM 137 CG PHE A 10 1.297 6.678 -0.894 1.00 0.00 C ATOM 138 CD1 PHE A 10 0.349 5.705 -0.844 1.00 0.00 C ATOM 139 CD2 PHE A 10 2.451 6.542 -0.186 1.00 0.00 C ATOM 140 CE1 PHE A 10 0.562 4.546 -0.052 1.00 0.00 C ATOM 141 CE2 PHE A 10 2.664 5.382 0.606 1.00 0.00 C ATOM 142 CZ PHE A 10 1.715 4.409 0.656 1.00 0.00 C ATOM 0 H PHE A 10 2.427 6.821 -3.844 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.436 7.327 -3.216 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.991 8.505 -1.784 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.319 8.555 -1.261 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.566 5.814 -1.407 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.204 7.315 -0.226 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.192 3.773 -0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.580 5.273 1.168 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.877 3.527 1.258 1.00 0.00 H new ATOM 152 N LYS A 11 -0.355 9.546 -4.274 1.00 0.00 N ATOM 153 CA LYS A 11 -0.354 10.764 -5.066 1.00 0.00 C ATOM 154 C LYS A 11 0.710 11.720 -4.523 1.00 0.00 C ATOM 155 O LYS A 11 1.371 11.419 -3.531 1.00 0.00 O ATOM 156 CB LYS A 11 -1.757 11.371 -5.117 1.00 0.00 C ATOM 157 CG LYS A 11 -2.292 11.637 -3.707 1.00 0.00 C ATOM 158 CD LYS A 11 -3.770 12.026 -3.746 1.00 0.00 C ATOM 159 CE LYS A 11 -3.970 13.348 -4.490 1.00 0.00 C ATOM 160 NZ LYS A 11 -5.402 13.557 -4.801 1.00 0.00 N ATOM 0 H LYS A 11 -1.274 9.254 -3.941 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.088 10.545 -6.100 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.734 12.302 -5.683 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.431 10.695 -5.644 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.163 10.747 -3.091 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.715 12.435 -3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.344 11.239 -4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.153 12.115 -2.729 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.600 14.174 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.388 13.345 -5.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.520 14.459 -5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.745 12.778 -5.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -5.949 13.581 -3.917 1.00 0.00 H new ATOM 174 N ASN A 12 0.842 12.853 -5.198 1.00 0.00 N ATOM 175 CA ASN A 12 1.814 13.854 -4.796 1.00 0.00 C ATOM 176 C ASN A 12 1.142 14.867 -3.866 1.00 0.00 C ATOM 177 O ASN A 12 1.471 16.052 -3.892 1.00 0.00 O ATOM 178 CB ASN A 12 2.356 14.614 -6.008 1.00 0.00 C ATOM 179 CG ASN A 12 3.874 14.778 -5.919 1.00 0.00 C ATOM 180 OD1 ASN A 12 4.611 13.847 -5.640 1.00 0.00 O ATOM 181 ND2 ASN A 12 4.300 16.013 -6.170 1.00 0.00 N ATOM 0 H ASN A 12 0.292 13.099 -6.021 1.00 0.00 H new ATOM 0 HA ASN A 12 2.635 13.343 -4.293 1.00 0.00 H new ATOM 0 HB2 ASN A 12 2.098 14.079 -6.922 1.00 0.00 H new ATOM 0 HB3 ASN A 12 1.884 15.595 -6.068 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.297 16.226 -6.135 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.630 16.747 -6.398 1.00 0.00 H new ATOM 188 N ASP A 13 0.215 14.362 -3.066 1.00 0.00 N ATOM 189 CA ASP A 13 -0.506 15.208 -2.129 1.00 0.00 C ATOM 190 C ASP A 13 -0.352 14.643 -0.716 1.00 0.00 C ATOM 191 O ASP A 13 -0.120 15.389 0.233 1.00 0.00 O ATOM 192 CB ASP A 13 -1.999 15.250 -2.462 1.00 0.00 C ATOM 193 CG ASP A 13 -2.807 16.286 -1.677 1.00 0.00 C ATOM 194 OD1 ASP A 13 -2.582 17.489 -1.928 1.00 0.00 O ATOM 195 OD2 ASP A 13 -3.631 15.850 -0.844 1.00 0.00 O ATOM 0 H ASP A 13 -0.054 13.378 -3.047 1.00 0.00 H new ATOM 0 HA ASP A 13 -0.093 16.215 -2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.113 15.453 -3.527 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.425 14.264 -2.278 1.00 0.00 H new ATOM 200 N VAL A 14 -0.488 13.328 -0.621 1.00 0.00 N ATOM 201 CA VAL A 14 -0.366 12.653 0.661 1.00 0.00 C ATOM 202 C VAL A 14 0.760 13.303 1.469 1.00 0.00 C ATOM 203 O VAL A 14 1.735 13.790 0.901 1.00 0.00 O ATOM 204 CB VAL A 14 -0.159 11.153 0.444 1.00 0.00 C ATOM 205 CG1 VAL A 14 0.657 10.889 -0.823 1.00 0.00 C ATOM 206 CG2 VAL A 14 0.501 10.510 1.666 1.00 0.00 C ATOM 0 H VAL A 14 -0.681 12.712 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.284 12.760 1.239 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.139 10.695 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.789 9.815 -0.953 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.131 11.297 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.633 11.367 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.637 9.444 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.471 10.975 1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.134 10.653 2.540 1.00 0.00 H new ATOM 216 N SER A 15 0.585 13.287 2.782 1.00 0.00 N ATOM 217 CA SER A 15 1.574 13.868 3.674 1.00 0.00 C ATOM 218 C SER A 15 2.590 12.804 4.094 1.00 0.00 C ATOM 219 O SER A 15 2.393 11.617 3.837 1.00 0.00 O ATOM 220 CB SER A 15 0.910 14.482 4.908 1.00 0.00 C ATOM 221 OG SER A 15 0.809 13.550 5.981 1.00 0.00 O ATOM 0 H SER A 15 -0.226 12.881 3.249 1.00 0.00 H new ATOM 0 HA SER A 15 2.091 14.664 3.138 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.484 15.349 5.234 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.085 14.839 4.644 1.00 0.00 H new ATOM 0 HG SER A 15 1.583 13.648 6.573 1.00 0.00 H new ATOM 227 N GLU A 16 3.655 13.267 4.731 1.00 0.00 N ATOM 228 CA GLU A 16 4.703 12.370 5.189 1.00 0.00 C ATOM 229 C GLU A 16 4.167 11.438 6.277 1.00 0.00 C ATOM 230 O GLU A 16 4.295 10.220 6.176 1.00 0.00 O ATOM 231 CB GLU A 16 5.918 13.154 5.687 1.00 0.00 C ATOM 232 CG GLU A 16 7.148 12.869 4.823 1.00 0.00 C ATOM 233 CD GLU A 16 7.967 14.141 4.597 1.00 0.00 C ATOM 234 OE1 GLU A 16 8.047 14.942 5.554 1.00 0.00 O ATOM 235 OE2 GLU A 16 8.494 14.284 3.473 1.00 0.00 O ATOM 0 H GLU A 16 3.815 14.252 4.941 1.00 0.00 H new ATOM 0 HA GLU A 16 5.027 11.761 4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.698 14.221 5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.127 12.887 6.723 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.768 12.114 5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.835 12.459 3.863 1.00 0.00 H new ATOM 242 N ASP A 17 3.576 12.048 7.294 1.00 0.00 N ATOM 243 CA ASP A 17 3.019 11.289 8.401 1.00 0.00 C ATOM 244 C ASP A 17 1.957 10.324 7.869 1.00 0.00 C ATOM 245 O ASP A 17 1.854 9.190 8.335 1.00 0.00 O ATOM 246 CB ASP A 17 2.350 12.213 9.421 1.00 0.00 C ATOM 247 CG ASP A 17 2.253 11.647 10.839 1.00 0.00 C ATOM 248 OD1 ASP A 17 2.565 10.446 10.995 1.00 0.00 O ATOM 249 OD2 ASP A 17 1.869 12.428 11.737 1.00 0.00 O ATOM 0 H ASP A 17 3.471 13.059 7.375 1.00 0.00 H new ATOM 0 HA ASP A 17 3.834 10.749 8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.904 13.151 9.457 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.345 12.449 9.071 1.00 0.00 H new ATOM 254 N LYS A 18 1.194 10.810 6.901 1.00 0.00 N ATOM 255 CA LYS A 18 0.144 10.004 6.300 1.00 0.00 C ATOM 256 C LYS A 18 0.766 8.768 5.648 1.00 0.00 C ATOM 257 O LYS A 18 0.278 7.653 5.830 1.00 0.00 O ATOM 258 CB LYS A 18 -0.696 10.849 5.341 1.00 0.00 C ATOM 259 CG LYS A 18 -2.081 11.132 5.929 1.00 0.00 C ATOM 260 CD LYS A 18 -2.429 12.618 5.819 1.00 0.00 C ATOM 261 CE LYS A 18 -3.704 12.823 4.998 1.00 0.00 C ATOM 262 NZ LYS A 18 -3.739 14.188 4.426 1.00 0.00 N ATOM 0 H LYS A 18 1.282 11.751 6.518 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.548 9.647 7.063 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.185 11.790 5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.801 10.329 4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.831 10.539 5.405 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.106 10.825 6.975 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.562 13.039 6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.602 13.155 5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.750 12.085 4.197 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.579 12.664 5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.611 14.310 3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.717 14.887 5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.914 14.327 3.808 1.00 0.00 H new ATOM 276 N ILE A 19 1.833 9.007 4.900 1.00 0.00 N ATOM 277 CA ILE A 19 2.526 7.926 4.220 1.00 0.00 C ATOM 278 C ILE A 19 2.872 6.830 5.231 1.00 0.00 C ATOM 279 O ILE A 19 2.456 5.684 5.075 1.00 0.00 O ATOM 280 CB ILE A 19 3.739 8.464 3.457 1.00 0.00 C ATOM 281 CG1 ILE A 19 3.574 8.258 1.950 1.00 0.00 C ATOM 282 CG2 ILE A 19 5.035 7.843 3.981 1.00 0.00 C ATOM 283 CD1 ILE A 19 4.628 9.045 1.171 1.00 0.00 C ATOM 0 H ILE A 19 2.234 9.933 4.750 1.00 0.00 H new ATOM 0 HA ILE A 19 1.880 7.473 3.468 1.00 0.00 H new ATOM 0 HB ILE A 19 3.803 9.538 3.630 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.658 7.197 1.713 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.577 8.575 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.882 8.242 3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.152 8.083 5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.996 6.761 3.857 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.488 8.881 0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.525 10.107 1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.623 8.708 1.463 1.00 0.00 H new ATOM 295 N ARG A 20 3.630 7.223 6.244 1.00 0.00 N ATOM 296 CA ARG A 20 4.036 6.289 7.281 1.00 0.00 C ATOM 297 C ARG A 20 2.807 5.651 7.931 1.00 0.00 C ATOM 298 O ARG A 20 2.851 4.495 8.350 1.00 0.00 O ATOM 299 CB ARG A 20 4.869 6.988 8.356 1.00 0.00 C ATOM 300 CG ARG A 20 6.226 7.427 7.801 1.00 0.00 C ATOM 301 CD ARG A 20 6.810 8.577 8.625 1.00 0.00 C ATOM 302 NE ARG A 20 8.289 8.507 8.612 1.00 0.00 N ATOM 303 CZ ARG A 20 9.006 7.647 9.348 1.00 0.00 C ATOM 304 NH1 ARG A 20 8.386 6.779 10.159 1.00 0.00 N ATOM 305 NH2 ARG A 20 10.344 7.656 9.273 1.00 0.00 N ATOM 0 H ARG A 20 3.974 8.175 6.369 1.00 0.00 H new ATOM 0 HA ARG A 20 4.645 5.516 6.812 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.328 7.856 8.732 1.00 0.00 H new ATOM 0 HB3 ARG A 20 5.018 6.315 9.200 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.916 6.583 7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.114 7.739 6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.479 9.532 8.218 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.444 8.524 9.650 1.00 0.00 H new ATOM 0 HE ARG A 20 8.793 9.153 8.005 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.368 6.773 10.216 1.00 0.00 H new ATOM 0 HH12 ARG A 20 8.932 6.125 10.719 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.816 8.317 8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.891 7.002 9.833 1.00 0.00 H new ATOM 319 N GLU A 21 1.739 6.431 7.996 1.00 0.00 N ATOM 320 CA GLU A 21 0.500 5.957 8.589 1.00 0.00 C ATOM 321 C GLU A 21 -0.083 4.814 7.756 1.00 0.00 C ATOM 322 O GLU A 21 -0.164 3.679 8.224 1.00 0.00 O ATOM 323 CB GLU A 21 -0.509 7.098 8.737 1.00 0.00 C ATOM 324 CG GLU A 21 -0.190 7.956 9.963 1.00 0.00 C ATOM 325 CD GLU A 21 -1.402 8.055 10.893 1.00 0.00 C ATOM 326 OE1 GLU A 21 -1.602 7.095 11.668 1.00 0.00 O ATOM 327 OE2 GLU A 21 -2.101 9.088 10.806 1.00 0.00 O ATOM 0 H GLU A 21 1.706 7.389 7.648 1.00 0.00 H new ATOM 0 HA GLU A 21 0.719 5.578 9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.496 7.719 7.841 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.515 6.689 8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.653 7.526 10.503 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.111 8.954 9.645 1.00 0.00 H new ATOM 334 N THR A 22 -0.475 5.153 6.536 1.00 0.00 N ATOM 335 CA THR A 22 -1.048 4.168 5.634 1.00 0.00 C ATOM 336 C THR A 22 -0.317 2.831 5.770 1.00 0.00 C ATOM 337 O THR A 22 -0.947 1.774 5.785 1.00 0.00 O ATOM 338 CB THR A 22 -1.004 4.743 4.217 1.00 0.00 C ATOM 339 OG1 THR A 22 -1.857 5.883 4.279 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.678 3.829 3.192 1.00 0.00 C ATOM 0 H THR A 22 -0.407 6.095 6.151 1.00 0.00 H new ATOM 0 HA THR A 22 -2.088 3.961 5.884 1.00 0.00 H new ATOM 0 HB THR A 22 0.033 4.911 3.926 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.885 6.318 3.401 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.618 4.285 2.204 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.173 2.863 3.178 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.724 3.687 3.464 1.00 0.00 H new ATOM 348 N LYS A 23 1.001 2.920 5.865 1.00 0.00 N ATOM 349 CA LYS A 23 1.824 1.731 5.998 1.00 0.00 C ATOM 350 C LYS A 23 1.519 1.052 7.336 1.00 0.00 C ATOM 351 O LYS A 23 1.168 -0.127 7.372 1.00 0.00 O ATOM 352 CB LYS A 23 3.302 2.078 5.809 1.00 0.00 C ATOM 353 CG LYS A 23 3.749 1.807 4.371 1.00 0.00 C ATOM 354 CD LYS A 23 5.190 2.271 4.148 1.00 0.00 C ATOM 355 CE LYS A 23 5.226 3.674 3.537 1.00 0.00 C ATOM 356 NZ LYS A 23 6.620 4.083 3.261 1.00 0.00 N ATOM 0 H LYS A 23 1.520 3.798 5.852 1.00 0.00 H new ATOM 0 HA LYS A 23 1.586 1.013 5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.467 3.127 6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.908 1.491 6.499 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.669 0.741 4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.086 2.323 3.677 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.727 2.270 5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.704 1.570 3.490 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.647 3.690 2.614 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.760 4.386 4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.713 5.111 3.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.262 3.591 3.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.867 3.835 2.282 1.00 0.00 H new ATOM 370 N ASP A 24 1.663 1.825 8.401 1.00 0.00 N ATOM 371 CA ASP A 24 1.407 1.313 9.737 1.00 0.00 C ATOM 372 C ASP A 24 -0.015 0.751 9.799 1.00 0.00 C ATOM 373 O ASP A 24 -0.251 -0.281 10.424 1.00 0.00 O ATOM 374 CB ASP A 24 1.522 2.423 10.784 1.00 0.00 C ATOM 375 CG ASP A 24 2.844 2.451 11.553 1.00 0.00 C ATOM 376 OD1 ASP A 24 3.887 2.242 10.897 1.00 0.00 O ATOM 377 OD2 ASP A 24 2.782 2.681 12.781 1.00 0.00 O ATOM 0 H ASP A 24 1.954 2.802 8.367 1.00 0.00 H new ATOM 0 HA ASP A 24 2.145 0.539 9.949 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.387 3.385 10.289 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.706 2.314 11.498 1.00 0.00 H new ATOM 382 N GLU A 25 -0.925 1.455 9.142 1.00 0.00 N ATOM 383 CA GLU A 25 -2.317 1.040 9.115 1.00 0.00 C ATOM 384 C GLU A 25 -2.430 -0.405 8.626 1.00 0.00 C ATOM 385 O GLU A 25 -3.217 -1.185 9.159 1.00 0.00 O ATOM 386 CB GLU A 25 -3.152 1.980 8.244 1.00 0.00 C ATOM 387 CG GLU A 25 -4.392 2.468 8.996 1.00 0.00 C ATOM 388 CD GLU A 25 -4.296 3.965 9.298 1.00 0.00 C ATOM 389 OE1 GLU A 25 -3.172 4.408 9.619 1.00 0.00 O ATOM 390 OE2 GLU A 25 -5.348 4.632 9.202 1.00 0.00 O ATOM 0 H GLU A 25 -0.725 2.311 8.624 1.00 0.00 H new ATOM 0 HA GLU A 25 -2.711 1.092 10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -2.547 2.834 7.941 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.455 1.464 7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.284 2.270 8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.499 1.912 9.927 1.00 0.00 H new ATOM 397 N VAL A 26 -1.630 -0.719 7.616 1.00 0.00 N ATOM 398 CA VAL A 26 -1.631 -2.057 7.050 1.00 0.00 C ATOM 399 C VAL A 26 -0.933 -3.016 8.017 1.00 0.00 C ATOM 400 O VAL A 26 -1.337 -4.170 8.152 1.00 0.00 O ATOM 401 CB VAL A 26 -0.989 -2.037 5.661 1.00 0.00 C ATOM 402 CG1 VAL A 26 0.436 -2.591 5.707 1.00 0.00 C ATOM 403 CG2 VAL A 26 -1.843 -2.806 4.650 1.00 0.00 C ATOM 0 H VAL A 26 -0.978 -0.070 7.176 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.652 -2.415 6.917 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.935 -0.999 5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 26 0.869 -2.565 4.707 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.041 -1.983 6.380 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.415 -3.620 6.067 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.364 -2.776 3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.944 -3.842 4.973 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.830 -2.348 4.585 1.00 0.00 H new ATOM 413 N ILE A 27 0.103 -2.503 8.664 1.00 0.00 N ATOM 414 CA ILE A 27 0.861 -3.299 9.615 1.00 0.00 C ATOM 415 C ILE A 27 -0.076 -3.795 10.719 1.00 0.00 C ATOM 416 O ILE A 27 -0.195 -4.997 10.944 1.00 0.00 O ATOM 417 CB ILE A 27 2.063 -2.511 10.135 1.00 0.00 C ATOM 418 CG1 ILE A 27 2.923 -1.994 8.980 1.00 0.00 C ATOM 419 CG2 ILE A 27 2.878 -3.345 11.126 1.00 0.00 C ATOM 420 CD1 ILE A 27 4.053 -2.972 8.656 1.00 0.00 C ATOM 0 H ILE A 27 0.436 -1.546 8.549 1.00 0.00 H new ATOM 0 HA ILE A 27 1.276 -4.182 9.129 1.00 0.00 H new ATOM 0 HB ILE A 27 1.691 -1.640 10.675 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.301 -1.846 8.097 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.342 -1.022 9.241 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.727 -2.761 11.481 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.249 -3.622 11.972 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.239 -4.247 10.632 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.648 -2.580 7.832 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.687 -3.099 9.533 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.630 -3.935 8.372 1.00 0.00 H new ATOM 432 N ALA A 28 -0.716 -2.841 11.379 1.00 0.00 N ATOM 433 CA ALA A 28 -1.638 -3.165 12.455 1.00 0.00 C ATOM 434 C ALA A 28 -2.827 -3.940 11.885 1.00 0.00 C ATOM 435 O ALA A 28 -3.294 -4.903 12.492 1.00 0.00 O ATOM 436 CB ALA A 28 -2.067 -1.879 13.165 1.00 0.00 C ATOM 0 H ALA A 28 -0.615 -1.844 11.190 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.154 -3.801 13.196 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.758 -2.122 13.972 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.189 -1.381 13.577 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.559 -1.217 12.453 1.00 0.00 H new ATOM 442 N GLU A 29 -3.285 -3.492 10.725 1.00 0.00 N ATOM 443 CA GLU A 29 -4.411 -4.132 10.067 1.00 0.00 C ATOM 444 C GLU A 29 -4.088 -5.597 9.768 1.00 0.00 C ATOM 445 O GLU A 29 -4.701 -6.499 10.336 1.00 0.00 O ATOM 446 CB GLU A 29 -4.796 -3.384 8.789 1.00 0.00 C ATOM 447 CG GLU A 29 -5.951 -4.084 8.070 1.00 0.00 C ATOM 448 CD GLU A 29 -6.887 -3.066 7.414 1.00 0.00 C ATOM 449 OE1 GLU A 29 -7.403 -2.206 8.161 1.00 0.00 O ATOM 450 OE2 GLU A 29 -7.065 -3.171 6.182 1.00 0.00 O ATOM 0 H GLU A 29 -2.896 -2.693 10.224 1.00 0.00 H new ATOM 0 HA GLU A 29 -5.267 -4.099 10.741 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.082 -2.361 9.034 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -3.933 -3.323 8.125 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -5.556 -4.761 7.312 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.511 -4.693 8.780 1.00 0.00 H new ATOM 457 N GLY A 30 -3.126 -5.788 8.877 1.00 0.00 N ATOM 458 CA GLY A 30 -2.716 -7.129 8.495 1.00 0.00 C ATOM 459 C GLY A 30 -1.433 -7.094 7.663 1.00 0.00 C ATOM 460 O GLY A 30 -0.381 -7.543 8.117 1.00 0.00 O ATOM 0 H GLY A 30 -2.619 -5.037 8.409 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.558 -7.733 9.388 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.511 -7.607 7.923 1.00 0.00 H new ATOM 464 N GLY A 31 -1.560 -6.554 6.460 1.00 0.00 N ATOM 465 CA GLY A 31 -0.424 -6.454 5.559 1.00 0.00 C ATOM 466 C GLY A 31 0.826 -5.981 6.305 1.00 0.00 C ATOM 467 O GLY A 31 0.741 -5.539 7.450 1.00 0.00 O ATOM 0 H GLY A 31 -2.433 -6.181 6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.233 -7.424 5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.655 -5.759 4.752 1.00 0.00 H new ATOM 471 N THR A 32 1.957 -6.092 5.626 1.00 0.00 N ATOM 472 CA THR A 32 3.223 -5.682 6.209 1.00 0.00 C ATOM 473 C THR A 32 4.065 -4.925 5.180 1.00 0.00 C ATOM 474 O THR A 32 3.670 -4.800 4.022 1.00 0.00 O ATOM 475 CB THR A 32 3.916 -6.930 6.762 1.00 0.00 C ATOM 476 OG1 THR A 32 2.860 -7.875 6.912 1.00 0.00 O ATOM 477 CG2 THR A 32 4.442 -6.727 8.184 1.00 0.00 C ATOM 0 H THR A 32 2.024 -6.460 4.677 1.00 0.00 H new ATOM 0 HA THR A 32 3.071 -4.985 7.033 1.00 0.00 H new ATOM 0 HB THR A 32 4.742 -7.207 6.107 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.221 -8.715 7.265 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.924 -7.642 8.528 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.165 -5.911 8.192 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.612 -6.483 8.847 1.00 0.00 H new ATOM 485 N ILE A 33 5.209 -4.439 5.640 1.00 0.00 N ATOM 486 CA ILE A 33 6.110 -3.698 4.774 1.00 0.00 C ATOM 487 C ILE A 33 7.529 -4.248 4.931 1.00 0.00 C ATOM 488 O ILE A 33 8.023 -4.392 6.047 1.00 0.00 O ATOM 489 CB ILE A 33 5.998 -2.196 5.045 1.00 0.00 C ATOM 490 CG1 ILE A 33 4.537 -1.744 5.036 1.00 0.00 C ATOM 491 CG2 ILE A 33 6.852 -1.397 4.059 1.00 0.00 C ATOM 492 CD1 ILE A 33 3.902 -1.969 3.661 1.00 0.00 C ATOM 0 H ILE A 33 5.532 -4.544 6.602 1.00 0.00 H new ATOM 0 HA ILE A 33 5.831 -3.832 3.729 1.00 0.00 H new ATOM 0 HB ILE A 33 6.389 -1.999 6.043 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.978 -2.294 5.793 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.478 -0.688 5.300 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.755 -0.333 4.273 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.896 -1.693 4.159 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.514 -1.595 3.042 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.863 -1.639 3.682 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.449 -1.399 2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.941 -3.029 3.411 1.00 0.00 H new ATOM 504 N THR A 34 8.144 -4.540 3.794 1.00 0.00 N ATOM 505 CA THR A 34 9.497 -5.071 3.791 1.00 0.00 C ATOM 506 C THR A 34 10.465 -4.060 3.174 1.00 0.00 C ATOM 507 O THR A 34 11.646 -4.036 3.519 1.00 0.00 O ATOM 508 CB THR A 34 9.475 -6.416 3.062 1.00 0.00 C ATOM 509 OG1 THR A 34 10.791 -6.932 3.246 1.00 0.00 O ATOM 510 CG2 THR A 34 9.346 -6.258 1.545 1.00 0.00 C ATOM 0 H THR A 34 7.731 -4.419 2.869 1.00 0.00 H new ATOM 0 HA THR A 34 9.858 -5.241 4.805 1.00 0.00 H new ATOM 0 HB THR A 34 8.647 -7.018 3.436 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.865 -7.804 2.806 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.335 -7.242 1.076 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.419 -5.735 1.311 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.192 -5.685 1.166 1.00 0.00 H new ATOM 518 N ASN A 35 9.930 -3.251 2.272 1.00 0.00 N ATOM 519 CA ASN A 35 10.731 -2.240 1.603 1.00 0.00 C ATOM 520 C ASN A 35 9.841 -1.053 1.230 1.00 0.00 C ATOM 521 O ASN A 35 8.624 -1.194 1.126 1.00 0.00 O ATOM 522 CB ASN A 35 11.350 -2.791 0.316 1.00 0.00 C ATOM 523 CG ASN A 35 12.859 -2.985 0.472 1.00 0.00 C ATOM 524 OD1 ASN A 35 13.606 -2.059 0.741 1.00 0.00 O ATOM 525 ND2 ASN A 35 13.264 -4.238 0.289 1.00 0.00 N ATOM 0 H ASN A 35 8.951 -3.275 1.988 1.00 0.00 H new ATOM 0 HA ASN A 35 11.526 -1.935 2.284 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.882 -3.742 0.061 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.151 -2.107 -0.509 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.253 -4.471 0.372 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.585 -4.966 0.066 1.00 0.00 H new ATOM 532 N GLU A 36 10.483 0.090 1.039 1.00 0.00 N ATOM 533 CA GLU A 36 9.765 1.301 0.680 1.00 0.00 C ATOM 534 C GLU A 36 10.472 2.015 -0.473 1.00 0.00 C ATOM 535 O GLU A 36 11.618 1.703 -0.792 1.00 0.00 O ATOM 536 CB GLU A 36 9.613 2.227 1.888 1.00 0.00 C ATOM 537 CG GLU A 36 10.851 3.109 2.061 1.00 0.00 C ATOM 538 CD GLU A 36 12.060 2.279 2.496 1.00 0.00 C ATOM 539 OE1 GLU A 36 11.975 1.683 3.592 1.00 0.00 O ATOM 540 OE2 GLU A 36 13.042 2.258 1.722 1.00 0.00 O ATOM 0 H GLU A 36 11.493 0.203 1.126 1.00 0.00 H new ATOM 0 HA GLU A 36 8.764 1.022 0.350 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.730 2.854 1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.456 1.633 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.073 3.618 1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.650 3.882 2.803 1.00 0.00 H new ATOM 547 N TYR A 37 9.758 2.961 -1.068 1.00 0.00 N ATOM 548 CA TYR A 37 10.303 3.722 -2.179 1.00 0.00 C ATOM 549 C TYR A 37 10.269 5.223 -1.884 1.00 0.00 C ATOM 550 O TYR A 37 9.228 5.863 -2.022 1.00 0.00 O ATOM 551 CB TYR A 37 9.397 3.429 -3.376 1.00 0.00 C ATOM 552 CG TYR A 37 9.581 2.029 -3.967 1.00 0.00 C ATOM 553 CD1 TYR A 37 9.361 0.914 -3.183 1.00 0.00 C ATOM 554 CD2 TYR A 37 9.966 1.882 -5.285 1.00 0.00 C ATOM 555 CE1 TYR A 37 9.534 -0.401 -3.740 1.00 0.00 C ATOM 556 CE2 TYR A 37 10.139 0.565 -5.841 1.00 0.00 C ATOM 557 CZ TYR A 37 9.915 -0.512 -5.041 1.00 0.00 C ATOM 558 OH TYR A 37 10.078 -1.755 -5.567 1.00 0.00 O ATOM 0 H TYR A 37 8.807 3.217 -0.801 1.00 0.00 H new ATOM 0 HA TYR A 37 11.341 3.444 -2.362 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.358 3.550 -3.070 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.588 4.169 -4.153 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.059 1.029 -2.152 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.137 2.754 -5.898 1.00 0.00 H new ATOM 0 HE1 TYR A 37 9.365 -1.282 -3.138 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.440 0.435 -6.870 1.00 0.00 H new ATOM 0 HH TYR A 37 10.350 -1.680 -6.505 1.00 0.00 H new ATOM 568 N ASN A 38 11.420 5.741 -1.483 1.00 0.00 N ATOM 569 CA ASN A 38 11.536 7.155 -1.168 1.00 0.00 C ATOM 570 C ASN A 38 12.298 7.863 -2.289 1.00 0.00 C ATOM 571 O ASN A 38 13.349 8.456 -2.050 1.00 0.00 O ATOM 572 CB ASN A 38 12.305 7.368 0.137 1.00 0.00 C ATOM 573 CG ASN A 38 11.975 6.273 1.154 1.00 0.00 C ATOM 574 OD1 ASN A 38 10.855 5.800 1.253 1.00 0.00 O ATOM 575 ND2 ASN A 38 13.010 5.899 1.901 1.00 0.00 N ATOM 0 H ASN A 38 12.281 5.207 -1.369 1.00 0.00 H new ATOM 0 HA ASN A 38 10.530 7.560 -1.062 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.376 7.371 -0.064 1.00 0.00 H new ATOM 0 HB3 ASN A 38 12.056 8.344 0.554 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.892 5.174 2.609 1.00 0.00 H new ATOM 0 HD22 ASN A 38 13.921 6.337 1.766 1.00 0.00 H new ATOM 582 N MET A 39 11.741 7.777 -3.488 1.00 0.00 N ATOM 583 CA MET A 39 12.356 8.402 -4.646 1.00 0.00 C ATOM 584 C MET A 39 11.836 9.827 -4.841 1.00 0.00 C ATOM 585 O MET A 39 10.743 10.161 -4.383 1.00 0.00 O ATOM 586 CB MET A 39 12.053 7.572 -5.895 1.00 0.00 C ATOM 587 CG MET A 39 13.334 6.974 -6.480 1.00 0.00 C ATOM 588 SD MET A 39 13.291 7.064 -8.262 1.00 0.00 S ATOM 589 CE MET A 39 14.146 5.550 -8.670 1.00 0.00 C ATOM 0 H MET A 39 10.870 7.283 -3.682 1.00 0.00 H new ATOM 0 HA MET A 39 13.433 8.448 -4.482 1.00 0.00 H new ATOM 0 HB2 MET A 39 11.356 6.773 -5.644 1.00 0.00 H new ATOM 0 HB3 MET A 39 11.565 8.198 -6.642 1.00 0.00 H new ATOM 0 HG2 MET A 39 14.203 7.513 -6.101 1.00 0.00 H new ATOM 0 HG3 MET A 39 13.439 5.937 -6.162 1.00 0.00 H new ATOM 0 HE1 MET A 39 14.208 5.448 -9.753 1.00 0.00 H new ATOM 0 HE2 MET A 39 15.151 5.575 -8.250 1.00 0.00 H new ATOM 0 HE3 MET A 39 13.601 4.702 -8.256 1.00 0.00 H new ATOM 599 N PRO A 40 12.662 10.651 -5.539 1.00 0.00 N ATOM 600 CA PRO A 40 12.297 12.032 -5.801 1.00 0.00 C ATOM 601 C PRO A 40 11.230 12.119 -6.894 1.00 0.00 C ATOM 602 O PRO A 40 11.539 12.433 -8.043 1.00 0.00 O ATOM 603 CB PRO A 40 13.598 12.718 -6.184 1.00 0.00 C ATOM 604 CG PRO A 40 14.557 11.604 -6.575 1.00 0.00 C ATOM 605 CD PRO A 40 13.963 10.289 -6.097 1.00 0.00 C ATOM 0 HA PRO A 40 11.846 12.519 -4.936 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.445 13.411 -7.012 1.00 0.00 H new ATOM 0 HB3 PRO A 40 13.993 13.299 -5.351 1.00 0.00 H new ATOM 0 HG2 PRO A 40 14.702 11.587 -7.655 1.00 0.00 H new ATOM 0 HG3 PRO A 40 15.536 11.767 -6.124 1.00 0.00 H new ATOM 0 HD2 PRO A 40 13.858 9.580 -6.918 1.00 0.00 H new ATOM 0 HD3 PRO A 40 14.598 9.817 -5.347 1.00 0.00 H new ATOM 613 N GLY A 41 9.998 11.837 -6.499 1.00 0.00 N ATOM 614 CA GLY A 41 8.884 11.879 -7.431 1.00 0.00 C ATOM 615 C GLY A 41 8.072 10.584 -7.374 1.00 0.00 C ATOM 616 O GLY A 41 7.034 10.468 -8.025 1.00 0.00 O ATOM 0 H GLY A 41 9.746 11.578 -5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.240 12.727 -7.196 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.258 12.034 -8.443 1.00 0.00 H new ATOM 620 N MET A 42 8.574 9.642 -6.589 1.00 0.00 N ATOM 621 CA MET A 42 7.908 8.360 -6.438 1.00 0.00 C ATOM 622 C MET A 42 7.738 8.000 -4.961 1.00 0.00 C ATOM 623 O MET A 42 8.691 7.577 -4.308 1.00 0.00 O ATOM 624 CB MET A 42 8.728 7.273 -7.138 1.00 0.00 C ATOM 625 CG MET A 42 7.871 6.038 -7.422 1.00 0.00 C ATOM 626 SD MET A 42 8.434 5.234 -8.913 1.00 0.00 S ATOM 627 CE MET A 42 7.059 4.136 -9.212 1.00 0.00 C ATOM 0 H MET A 42 9.435 9.741 -6.051 1.00 0.00 H new ATOM 0 HA MET A 42 6.919 8.430 -6.891 1.00 0.00 H new ATOM 0 HB2 MET A 42 9.132 7.662 -8.072 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.578 6.995 -6.514 1.00 0.00 H new ATOM 0 HG2 MET A 42 7.927 5.345 -6.582 1.00 0.00 H new ATOM 0 HG3 MET A 42 6.825 6.327 -7.528 1.00 0.00 H new ATOM 0 HE1 MET A 42 7.248 3.554 -10.114 1.00 0.00 H new ATOM 0 HE2 MET A 42 6.940 3.462 -8.364 1.00 0.00 H new ATOM 0 HE3 MET A 42 6.148 4.720 -9.341 1.00 0.00 H new ATOM 637 N LYS A 43 6.518 8.179 -4.477 1.00 0.00 N ATOM 638 CA LYS A 43 6.212 7.879 -3.089 1.00 0.00 C ATOM 639 C LYS A 43 5.389 6.592 -3.020 1.00 0.00 C ATOM 640 O LYS A 43 4.159 6.635 -3.044 1.00 0.00 O ATOM 641 CB LYS A 43 5.538 9.077 -2.418 1.00 0.00 C ATOM 642 CG LYS A 43 6.528 10.226 -2.222 1.00 0.00 C ATOM 643 CD LYS A 43 5.813 11.578 -2.242 1.00 0.00 C ATOM 644 CE LYS A 43 6.815 12.731 -2.159 1.00 0.00 C ATOM 645 NZ LYS A 43 7.270 12.922 -0.764 1.00 0.00 N ATOM 0 H LYS A 43 5.729 8.528 -5.022 1.00 0.00 H new ATOM 0 HA LYS A 43 7.129 7.702 -2.526 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.700 9.415 -3.027 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.130 8.776 -1.453 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.051 10.102 -1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.282 10.198 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.224 11.668 -3.155 1.00 0.00 H new ATOM 0 HD3 LYS A 43 5.116 11.637 -1.406 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.671 12.524 -2.802 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.355 13.648 -2.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.950 13.708 -0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.453 13.141 -0.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.728 12.052 -0.426 1.00 0.00 H new ATOM 659 N GLY A 44 6.098 5.477 -2.937 1.00 0.00 N ATOM 660 CA GLY A 44 5.449 4.179 -2.864 1.00 0.00 C ATOM 661 C GLY A 44 6.184 3.250 -1.896 1.00 0.00 C ATOM 662 O GLY A 44 7.132 3.666 -1.231 1.00 0.00 O ATOM 0 H GLY A 44 7.117 5.445 -2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.416 4.303 -2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.420 3.727 -3.855 1.00 0.00 H new ATOM 666 N PHE A 45 5.720 2.010 -1.847 1.00 0.00 N ATOM 667 CA PHE A 45 6.322 1.019 -0.972 1.00 0.00 C ATOM 668 C PHE A 45 5.960 -0.399 -1.418 1.00 0.00 C ATOM 669 O PHE A 45 5.007 -0.592 -2.171 1.00 0.00 O ATOM 670 CB PHE A 45 5.760 1.260 0.429 1.00 0.00 C ATOM 671 CG PHE A 45 4.339 0.730 0.629 1.00 0.00 C ATOM 672 CD1 PHE A 45 4.134 -0.594 0.863 1.00 0.00 C ATOM 673 CD2 PHE A 45 3.280 1.582 0.573 1.00 0.00 C ATOM 674 CE1 PHE A 45 2.815 -1.087 1.048 1.00 0.00 C ATOM 675 CE2 PHE A 45 1.961 1.089 0.758 1.00 0.00 C ATOM 676 CZ PHE A 45 1.756 -0.234 0.992 1.00 0.00 C ATOM 0 H PHE A 45 4.933 1.669 -2.400 1.00 0.00 H new ATOM 0 HA PHE A 45 7.408 1.112 -0.996 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.418 0.790 1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 45 5.770 2.330 0.634 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.975 -1.271 0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.442 2.634 0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.652 -2.139 1.233 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.121 1.766 0.713 1.00 0.00 H new ATOM 0 HZ PHE A 45 0.753 -0.608 1.133 1.00 0.00 H new ATOM 686 N ALA A 46 6.740 -1.354 -0.935 1.00 0.00 N ATOM 687 CA ALA A 46 6.514 -2.749 -1.274 1.00 0.00 C ATOM 688 C ALA A 46 6.519 -3.588 0.006 1.00 0.00 C ATOM 689 O ALA A 46 7.379 -3.406 0.867 1.00 0.00 O ATOM 690 CB ALA A 46 7.572 -3.209 -2.278 1.00 0.00 C ATOM 0 H ALA A 46 7.530 -1.190 -0.311 1.00 0.00 H new ATOM 0 HA ALA A 46 5.540 -2.876 -1.747 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.402 -4.255 -2.532 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.506 -2.601 -3.180 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.563 -3.099 -1.838 1.00 0.00 H new ATOM 696 N GLY A 47 5.551 -4.488 0.089 1.00 0.00 N ATOM 697 CA GLY A 47 5.434 -5.356 1.249 1.00 0.00 C ATOM 698 C GLY A 47 4.453 -6.499 0.981 1.00 0.00 C ATOM 699 O GLY A 47 4.140 -6.797 -0.170 1.00 0.00 O ATOM 0 H GLY A 47 4.840 -4.635 -0.628 1.00 0.00 H new ATOM 0 HA2 GLY A 47 6.412 -5.764 1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 47 5.097 -4.777 2.109 1.00 0.00 H new ATOM 703 N GLU A 48 3.994 -7.107 2.066 1.00 0.00 N ATOM 704 CA GLU A 48 3.054 -8.211 1.962 1.00 0.00 C ATOM 705 C GLU A 48 1.628 -7.721 2.224 1.00 0.00 C ATOM 706 O GLU A 48 1.278 -7.395 3.358 1.00 0.00 O ATOM 707 CB GLU A 48 3.429 -9.342 2.922 1.00 0.00 C ATOM 708 CG GLU A 48 3.979 -10.549 2.158 1.00 0.00 C ATOM 709 CD GLU A 48 5.490 -10.681 2.354 1.00 0.00 C ATOM 710 OE1 GLU A 48 5.949 -10.351 3.469 1.00 0.00 O ATOM 711 OE2 GLU A 48 6.153 -11.108 1.383 1.00 0.00 O ATOM 0 H GLU A 48 4.255 -6.857 3.020 1.00 0.00 H new ATOM 0 HA GLU A 48 3.101 -8.608 0.948 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.174 -8.987 3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.553 -9.640 3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.484 -11.457 2.501 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.754 -10.445 1.097 1.00 0.00 H new ATOM 718 N LEU A 49 0.844 -7.683 1.156 1.00 0.00 N ATOM 719 CA LEU A 49 -0.535 -7.238 1.257 1.00 0.00 C ATOM 720 C LEU A 49 -1.468 -8.430 1.036 1.00 0.00 C ATOM 721 O LEU A 49 -1.020 -9.575 0.998 1.00 0.00 O ATOM 722 CB LEU A 49 -0.791 -6.071 0.302 1.00 0.00 C ATOM 723 CG LEU A 49 -0.597 -4.670 0.885 1.00 0.00 C ATOM 724 CD1 LEU A 49 0.774 -4.539 1.550 1.00 0.00 C ATOM 725 CD2 LEU A 49 -0.823 -3.596 -0.180 1.00 0.00 C ATOM 0 H LEU A 49 1.138 -7.953 0.217 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.740 -6.854 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.130 -6.180 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.813 -6.150 -0.070 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.347 -4.516 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.887 -3.534 1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.859 -5.268 2.356 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.555 -4.722 0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.679 -2.610 0.261 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.113 -3.736 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.839 -3.675 -0.567 1.00 0.00 H new ATOM 737 N THR A 50 -2.749 -8.120 0.898 1.00 0.00 N ATOM 738 CA THR A 50 -3.749 -9.152 0.682 1.00 0.00 C ATOM 739 C THR A 50 -4.961 -8.575 -0.054 1.00 0.00 C ATOM 740 O THR A 50 -4.938 -7.424 -0.488 1.00 0.00 O ATOM 741 CB THR A 50 -4.098 -9.763 2.041 1.00 0.00 C ATOM 742 OG1 THR A 50 -3.122 -9.222 2.926 1.00 0.00 O ATOM 743 CG2 THR A 50 -3.846 -11.272 2.086 1.00 0.00 C ATOM 0 H THR A 50 -3.117 -7.169 0.932 1.00 0.00 H new ATOM 0 HA THR A 50 -3.366 -9.946 0.040 1.00 0.00 H new ATOM 0 HB THR A 50 -5.144 -9.562 2.271 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.275 -9.565 3.831 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.110 -11.656 3.072 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.456 -11.765 1.329 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.793 -11.471 1.889 1.00 0.00 H new ATOM 751 N PRO A 51 -6.017 -9.423 -0.173 1.00 0.00 N ATOM 752 CA PRO A 51 -7.236 -9.009 -0.849 1.00 0.00 C ATOM 753 C PRO A 51 -8.053 -8.059 0.028 1.00 0.00 C ATOM 754 O PRO A 51 -8.683 -7.130 -0.475 1.00 0.00 O ATOM 755 CB PRO A 51 -7.968 -10.302 -1.166 1.00 0.00 C ATOM 756 CG PRO A 51 -7.366 -11.357 -0.252 1.00 0.00 C ATOM 757 CD PRO A 51 -6.081 -10.792 0.329 1.00 0.00 C ATOM 0 HA PRO A 51 -7.041 -8.444 -1.760 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.039 -10.198 -0.990 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -7.842 -10.575 -2.214 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -8.064 -11.615 0.545 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -7.163 -12.273 -0.808 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.096 -10.814 1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -5.214 -11.371 0.011 1.00 0.00 H new ATOM 765 N GLN A 52 -8.017 -8.323 1.326 1.00 0.00 N ATOM 766 CA GLN A 52 -8.746 -7.503 2.278 1.00 0.00 C ATOM 767 C GLN A 52 -8.185 -6.080 2.293 1.00 0.00 C ATOM 768 O GLN A 52 -8.896 -5.126 1.982 1.00 0.00 O ATOM 769 CB GLN A 52 -8.708 -8.122 3.677 1.00 0.00 C ATOM 770 CG GLN A 52 -9.513 -7.281 4.670 1.00 0.00 C ATOM 771 CD GLN A 52 -8.598 -6.358 5.476 1.00 0.00 C ATOM 772 OE1 GLN A 52 -7.592 -6.985 6.079 1.00 0.00 O flip ATOM 773 NE2 GLN A 52 -8.791 -5.155 5.544 1.00 0.00 N flip ATOM 0 H GLN A 52 -7.494 -9.094 1.741 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.789 -7.458 1.964 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -9.111 -9.134 3.642 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.675 -8.201 4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -10.253 -6.687 4.133 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.061 -7.937 5.347 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -9.583 -4.737 5.056 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.160 -4.567 6.089 1.00 0.00 H new ATOM 782 N SER A 53 -6.915 -5.983 2.656 1.00 0.00 N ATOM 783 CA SER A 53 -6.249 -4.692 2.715 1.00 0.00 C ATOM 784 C SER A 53 -6.380 -3.975 1.370 1.00 0.00 C ATOM 785 O SER A 53 -6.482 -2.749 1.323 1.00 0.00 O ATOM 786 CB SER A 53 -4.775 -4.849 3.092 1.00 0.00 C ATOM 787 OG SER A 53 -4.567 -4.731 4.497 1.00 0.00 O ATOM 0 H SER A 53 -6.329 -6.777 2.912 1.00 0.00 H new ATOM 0 HA SER A 53 -6.731 -4.093 3.488 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.416 -5.821 2.753 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.186 -4.093 2.574 1.00 0.00 H new ATOM 0 HG SER A 53 -3.710 -5.142 4.737 1.00 0.00 H new ATOM 793 N LEU A 54 -6.373 -4.768 0.308 1.00 0.00 N ATOM 794 CA LEU A 54 -6.489 -4.224 -1.034 1.00 0.00 C ATOM 795 C LEU A 54 -7.693 -3.282 -1.095 1.00 0.00 C ATOM 796 O LEU A 54 -7.536 -2.063 -1.045 1.00 0.00 O ATOM 797 CB LEU A 54 -6.537 -5.351 -2.067 1.00 0.00 C ATOM 798 CG LEU A 54 -5.296 -5.507 -2.947 1.00 0.00 C ATOM 799 CD1 LEU A 54 -5.458 -6.675 -3.922 1.00 0.00 C ATOM 800 CD2 LEU A 54 -4.969 -4.199 -3.671 1.00 0.00 C ATOM 0 H LEU A 54 -6.289 -5.784 0.350 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.608 -3.633 -1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.706 -6.291 -1.542 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.399 -5.187 -2.714 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.448 -5.740 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.562 -6.764 -4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.607 -7.598 -3.362 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.321 -6.496 -4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.082 -4.337 -4.290 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.810 -3.912 -4.302 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.781 -3.415 -2.938 1.00 0.00 H new ATOM 812 N THR A 55 -8.870 -3.883 -1.202 1.00 0.00 N ATOM 813 CA THR A 55 -10.100 -3.113 -1.269 1.00 0.00 C ATOM 814 C THR A 55 -10.034 -1.917 -0.319 1.00 0.00 C ATOM 815 O THR A 55 -10.633 -0.875 -0.583 1.00 0.00 O ATOM 816 CB THR A 55 -11.266 -4.059 -0.976 1.00 0.00 C ATOM 817 OG1 THR A 55 -11.164 -5.061 -1.984 1.00 0.00 O ATOM 818 CG2 THR A 55 -12.627 -3.408 -1.233 1.00 0.00 C ATOM 0 H THR A 55 -8.997 -4.894 -1.244 1.00 0.00 H new ATOM 0 HA THR A 55 -10.248 -2.690 -2.262 1.00 0.00 H new ATOM 0 HB THR A 55 -11.212 -4.390 0.061 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.882 -5.717 -1.867 1.00 0.00 H new ATOM 0 HG21 THR A 55 -13.420 -4.122 -1.010 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.737 -2.532 -0.594 1.00 0.00 H new ATOM 0 HG23 THR A 55 -12.694 -3.106 -2.278 1.00 0.00 H new ATOM 826 N LYS A 56 -9.300 -2.104 0.768 1.00 0.00 N ATOM 827 CA LYS A 56 -9.147 -1.054 1.760 1.00 0.00 C ATOM 828 C LYS A 56 -8.803 0.260 1.054 1.00 0.00 C ATOM 829 O LYS A 56 -9.586 1.208 1.082 1.00 0.00 O ATOM 830 CB LYS A 56 -8.131 -1.465 2.825 1.00 0.00 C ATOM 831 CG LYS A 56 -8.555 -0.970 4.209 1.00 0.00 C ATOM 832 CD LYS A 56 -7.888 0.366 4.543 1.00 0.00 C ATOM 833 CE LYS A 56 -6.363 0.241 4.507 1.00 0.00 C ATOM 834 NZ LYS A 56 -5.780 0.645 5.806 1.00 0.00 N ATOM 0 H LYS A 56 -8.804 -2.969 0.984 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.084 -0.895 2.294 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.032 -2.550 2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.151 -1.058 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.639 -0.858 4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -8.288 -1.712 4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -8.211 1.126 3.832 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.206 0.699 5.531 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.082 -0.787 4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.959 0.866 3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.745 0.554 5.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.033 1.633 6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.152 0.032 6.559 1.00 0.00 H new ATOM 848 N PHE A 57 -7.629 0.274 0.440 1.00 0.00 N ATOM 849 CA PHE A 57 -7.170 1.456 -0.270 1.00 0.00 C ATOM 850 C PHE A 57 -7.578 1.401 -1.744 1.00 0.00 C ATOM 851 O PHE A 57 -7.870 2.432 -2.350 1.00 0.00 O ATOM 852 CB PHE A 57 -5.643 1.470 -0.176 1.00 0.00 C ATOM 853 CG PHE A 57 -5.002 0.082 -0.252 1.00 0.00 C ATOM 854 CD1 PHE A 57 -4.790 -0.503 -1.460 1.00 0.00 C ATOM 855 CD2 PHE A 57 -4.645 -0.564 0.890 1.00 0.00 C ATOM 856 CE1 PHE A 57 -4.195 -1.791 -1.530 1.00 0.00 C ATOM 857 CE2 PHE A 57 -4.049 -1.851 0.821 1.00 0.00 C ATOM 858 CZ PHE A 57 -3.837 -2.438 -0.388 1.00 0.00 C ATOM 0 H PHE A 57 -6.982 -0.514 0.419 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.612 2.350 0.170 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -5.245 2.087 -0.982 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -5.351 1.943 0.762 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -5.074 0.011 -2.366 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.815 -0.098 1.850 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.027 -2.257 -2.490 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.764 -2.364 1.728 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.385 -3.417 -0.441 1.00 0.00 H new ATOM 868 N GLN A 58 -7.585 0.190 -2.279 1.00 0.00 N ATOM 869 CA GLN A 58 -7.952 -0.012 -3.671 1.00 0.00 C ATOM 870 C GLN A 58 -9.129 0.891 -4.046 1.00 0.00 C ATOM 871 O GLN A 58 -8.942 1.929 -4.678 1.00 0.00 O ATOM 872 CB GLN A 58 -8.279 -1.482 -3.944 1.00 0.00 C ATOM 873 CG GLN A 58 -7.163 -2.152 -4.746 1.00 0.00 C ATOM 874 CD GLN A 58 -7.457 -2.096 -6.247 1.00 0.00 C ATOM 875 OE1 GLN A 58 -8.111 -1.194 -6.744 1.00 0.00 O ATOM 876 NE2 GLN A 58 -6.939 -3.108 -6.938 1.00 0.00 N ATOM 0 H GLN A 58 -7.342 -0.662 -1.774 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.100 0.258 -4.294 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -8.420 -2.008 -3.000 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.219 -1.554 -4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -6.214 -1.657 -4.539 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -7.057 -3.190 -4.431 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.401 -3.830 -6.459 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.080 -3.162 -7.947 1.00 0.00 H new ATOM 885 N GLY A 59 -10.315 0.463 -3.639 1.00 0.00 N ATOM 886 CA GLY A 59 -11.521 1.220 -3.925 1.00 0.00 C ATOM 887 C GLY A 59 -11.359 2.685 -3.514 1.00 0.00 C ATOM 888 O GLY A 59 -12.087 3.552 -3.996 1.00 0.00 O ATOM 0 H GLY A 59 -10.466 -0.398 -3.114 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -11.748 1.160 -4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.365 0.781 -3.393 1.00 0.00 H new ATOM 892 N LEU A 60 -10.402 2.916 -2.628 1.00 0.00 N ATOM 893 CA LEU A 60 -10.135 4.261 -2.147 1.00 0.00 C ATOM 894 C LEU A 60 -9.091 4.923 -3.050 1.00 0.00 C ATOM 895 O LEU A 60 -8.424 5.871 -2.640 1.00 0.00 O ATOM 896 CB LEU A 60 -9.742 4.234 -0.669 1.00 0.00 C ATOM 897 CG LEU A 60 -9.655 5.593 0.027 1.00 0.00 C ATOM 898 CD1 LEU A 60 -11.026 6.033 0.547 1.00 0.00 C ATOM 899 CD2 LEU A 60 -8.601 5.575 1.135 1.00 0.00 C ATOM 0 H LEU A 60 -9.801 2.194 -2.230 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.037 4.871 -2.201 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -10.465 3.619 -0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.775 3.740 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.337 6.333 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -10.935 7.002 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.723 6.112 -0.287 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.397 5.298 1.262 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.560 6.553 1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.864 4.820 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -7.627 5.339 0.707 1.00 0.00 H new ATOM 911 N GLN A 61 -8.983 4.395 -4.260 1.00 0.00 N ATOM 912 CA GLN A 61 -8.030 4.923 -5.223 1.00 0.00 C ATOM 913 C GLN A 61 -8.367 6.377 -5.560 1.00 0.00 C ATOM 914 O GLN A 61 -9.436 6.870 -5.201 1.00 0.00 O ATOM 915 CB GLN A 61 -7.995 4.062 -6.487 1.00 0.00 C ATOM 916 CG GLN A 61 -6.597 3.482 -6.715 1.00 0.00 C ATOM 917 CD GLN A 61 -6.652 1.958 -6.854 1.00 0.00 C ATOM 918 OE1 GLN A 61 -5.942 1.306 -5.938 1.00 0.00 O flip ATOM 919 NE2 GLN A 61 -7.296 1.412 -7.734 1.00 0.00 N flip ATOM 0 H GLN A 61 -9.538 3.608 -4.596 1.00 0.00 H new ATOM 0 HA GLN A 61 -7.037 4.895 -4.775 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -8.719 3.252 -6.400 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -8.289 4.662 -7.348 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.161 3.917 -7.614 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.947 3.752 -5.883 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -7.819 1.973 -8.406 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.311 0.394 -7.798 1.00 0.00 H new ATOM 928 N GLY A 62 -7.437 7.022 -6.247 1.00 0.00 N ATOM 929 CA GLY A 62 -7.621 8.410 -6.637 1.00 0.00 C ATOM 930 C GLY A 62 -7.822 9.302 -5.410 1.00 0.00 C ATOM 931 O GLY A 62 -8.244 10.451 -5.536 1.00 0.00 O ATOM 0 H GLY A 62 -6.553 6.609 -6.544 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.753 8.751 -7.201 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.484 8.495 -7.298 1.00 0.00 H new ATOM 935 N ASP A 63 -7.509 8.740 -4.252 1.00 0.00 N ATOM 936 CA ASP A 63 -7.649 9.471 -3.004 1.00 0.00 C ATOM 937 C ASP A 63 -6.293 9.535 -2.300 1.00 0.00 C ATOM 938 O ASP A 63 -5.832 10.613 -1.927 1.00 0.00 O ATOM 939 CB ASP A 63 -8.636 8.773 -2.065 1.00 0.00 C ATOM 940 CG ASP A 63 -9.956 8.349 -2.714 1.00 0.00 C ATOM 941 OD1 ASP A 63 -10.474 9.149 -3.522 1.00 0.00 O ATOM 942 OD2 ASP A 63 -10.417 7.234 -2.386 1.00 0.00 O ATOM 0 H ASP A 63 -7.159 7.787 -4.152 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.017 10.470 -3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.154 7.889 -1.647 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.856 9.441 -1.232 1.00 0.00 H new ATOM 947 N LEU A 64 -5.689 8.366 -2.140 1.00 0.00 N ATOM 948 CA LEU A 64 -4.394 8.275 -1.487 1.00 0.00 C ATOM 949 C LEU A 64 -3.528 7.250 -2.222 1.00 0.00 C ATOM 950 O LEU A 64 -2.448 6.895 -1.754 1.00 0.00 O ATOM 951 CB LEU A 64 -4.565 7.979 0.004 1.00 0.00 C ATOM 952 CG LEU A 64 -5.015 6.561 0.360 1.00 0.00 C ATOM 953 CD1 LEU A 64 -5.898 5.973 -0.743 1.00 0.00 C ATOM 954 CD2 LEU A 64 -3.813 5.666 0.668 1.00 0.00 C ATOM 0 H LEU A 64 -6.073 7.474 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.873 9.231 -1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.616 8.174 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.291 8.682 0.413 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.620 6.612 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.204 4.965 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.782 6.598 -0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -5.338 5.937 -1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.160 4.664 0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.162 5.617 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.259 6.079 1.511 1.00 0.00 H new ATOM 966 N ILE A 65 -4.035 6.803 -3.361 1.00 0.00 N ATOM 967 CA ILE A 65 -3.321 5.827 -4.166 1.00 0.00 C ATOM 968 C ILE A 65 -3.247 6.319 -5.613 1.00 0.00 C ATOM 969 O ILE A 65 -4.268 6.406 -6.295 1.00 0.00 O ATOM 970 CB ILE A 65 -3.958 4.443 -4.019 1.00 0.00 C ATOM 971 CG1 ILE A 65 -3.856 3.943 -2.576 1.00 0.00 C ATOM 972 CG2 ILE A 65 -3.351 3.452 -5.013 1.00 0.00 C ATOM 973 CD1 ILE A 65 -2.756 2.887 -2.439 1.00 0.00 C ATOM 0 H ILE A 65 -4.932 7.099 -3.746 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.295 5.721 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.018 4.528 -4.256 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.646 4.781 -1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.812 3.521 -2.265 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.821 2.477 -4.887 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.519 3.808 -6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.280 3.364 -4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.704 2.548 -1.404 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.982 2.040 -3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.798 3.320 -2.728 1.00 0.00 H new ATOM 985 N ASP A 66 -2.031 6.628 -6.038 1.00 0.00 N ATOM 986 CA ASP A 66 -1.812 7.110 -7.391 1.00 0.00 C ATOM 987 C ASP A 66 -1.758 5.919 -8.349 1.00 0.00 C ATOM 988 O ASP A 66 -2.282 5.986 -9.460 1.00 0.00 O ATOM 989 CB ASP A 66 -0.485 7.863 -7.498 1.00 0.00 C ATOM 990 CG ASP A 66 -0.589 9.277 -8.076 1.00 0.00 C ATOM 991 OD1 ASP A 66 -1.695 9.849 -7.979 1.00 0.00 O ATOM 992 OD2 ASP A 66 0.441 9.752 -8.602 1.00 0.00 O ATOM 0 H ASP A 66 -1.187 6.554 -5.470 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.631 7.783 -7.647 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.038 7.924 -6.506 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.196 7.282 -8.119 1.00 0.00 H new ATOM 997 N SER A 67 -1.120 4.855 -7.885 1.00 0.00 N ATOM 998 CA SER A 67 -0.991 3.650 -8.687 1.00 0.00 C ATOM 999 C SER A 67 -0.852 2.428 -7.776 1.00 0.00 C ATOM 1000 O SER A 67 -0.180 2.488 -6.748 1.00 0.00 O ATOM 1001 CB SER A 67 0.208 3.745 -9.634 1.00 0.00 C ATOM 1002 OG SER A 67 0.159 4.919 -10.439 1.00 0.00 O ATOM 0 H SER A 67 -0.686 4.802 -6.963 1.00 0.00 H new ATOM 0 HA SER A 67 -1.891 3.544 -9.293 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.130 3.742 -9.053 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.233 2.865 -10.277 1.00 0.00 H new ATOM 0 HG SER A 67 0.941 4.944 -11.029 1.00 0.00 H new ATOM 1008 N ILE A 68 -1.500 1.347 -8.188 1.00 0.00 N ATOM 1009 CA ILE A 68 -1.458 0.113 -7.422 1.00 0.00 C ATOM 1010 C ILE A 68 -1.030 -1.036 -8.338 1.00 0.00 C ATOM 1011 O ILE A 68 -1.599 -1.224 -9.411 1.00 0.00 O ATOM 1012 CB ILE A 68 -2.795 -0.127 -6.719 1.00 0.00 C ATOM 1013 CG1 ILE A 68 -2.595 -0.891 -5.408 1.00 0.00 C ATOM 1014 CG2 ILE A 68 -3.784 -0.833 -7.648 1.00 0.00 C ATOM 1015 CD1 ILE A 68 -3.578 -0.410 -4.338 1.00 0.00 C ATOM 0 H ILE A 68 -2.056 1.301 -9.042 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.715 0.183 -6.628 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.227 0.841 -6.466 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.733 -1.958 -5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.573 -0.754 -5.056 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -4.726 -0.992 -7.123 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.959 -0.216 -8.530 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -3.373 -1.795 -7.954 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.415 -0.969 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.421 0.652 -4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.599 -0.570 -4.684 1.00 0.00 H new ATOM 1027 N GLU A 69 -0.029 -1.773 -7.880 1.00 0.00 N ATOM 1028 CA GLU A 69 0.482 -2.898 -8.643 1.00 0.00 C ATOM 1029 C GLU A 69 0.461 -4.171 -7.794 1.00 0.00 C ATOM 1030 O GLU A 69 1.491 -4.583 -7.263 1.00 0.00 O ATOM 1031 CB GLU A 69 1.891 -2.612 -9.166 1.00 0.00 C ATOM 1032 CG GLU A 69 2.177 -3.408 -10.440 1.00 0.00 C ATOM 1033 CD GLU A 69 3.099 -2.629 -11.379 1.00 0.00 C ATOM 1034 OE1 GLU A 69 4.330 -2.744 -11.190 1.00 0.00 O ATOM 1035 OE2 GLU A 69 2.554 -1.936 -12.265 1.00 0.00 O ATOM 0 H GLU A 69 0.442 -1.613 -6.990 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.167 -3.050 -9.506 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.998 -1.546 -9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 69 2.625 -2.867 -8.402 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.637 -4.362 -10.181 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.240 -3.634 -10.950 1.00 0.00 H new ATOM 1042 N GLU A 70 -0.723 -4.756 -7.692 1.00 0.00 N ATOM 1043 CA GLU A 70 -0.891 -5.973 -6.916 1.00 0.00 C ATOM 1044 C GLU A 70 -0.167 -7.139 -7.593 1.00 0.00 C ATOM 1045 O GLU A 70 -0.242 -7.299 -8.811 1.00 0.00 O ATOM 1046 CB GLU A 70 -2.373 -6.293 -6.713 1.00 0.00 C ATOM 1047 CG GLU A 70 -3.142 -5.057 -6.241 1.00 0.00 C ATOM 1048 CD GLU A 70 -4.389 -4.827 -7.096 1.00 0.00 C ATOM 1049 OE1 GLU A 70 -5.395 -5.521 -6.830 1.00 0.00 O ATOM 1050 OE2 GLU A 70 -4.309 -3.963 -7.996 1.00 0.00 O ATOM 0 H GLU A 70 -1.575 -4.410 -8.134 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.448 -5.817 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.801 -6.657 -7.647 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.479 -7.093 -5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -3.430 -5.181 -5.197 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -2.495 -4.181 -6.292 1.00 0.00 H new ATOM 1057 N ASP A 71 0.518 -7.924 -6.774 1.00 0.00 N ATOM 1058 CA ASP A 71 1.255 -9.070 -7.278 1.00 0.00 C ATOM 1059 C ASP A 71 0.949 -10.291 -6.408 1.00 0.00 C ATOM 1060 O ASP A 71 1.641 -11.304 -6.490 1.00 0.00 O ATOM 1061 CB ASP A 71 2.764 -8.820 -7.227 1.00 0.00 C ATOM 1062 CG ASP A 71 3.573 -9.521 -8.321 1.00 0.00 C ATOM 1063 OD1 ASP A 71 3.255 -10.698 -8.595 1.00 0.00 O ATOM 1064 OD2 ASP A 71 4.491 -8.864 -8.857 1.00 0.00 O ATOM 0 H ASP A 71 0.578 -7.789 -5.765 1.00 0.00 H new ATOM 0 HA ASP A 71 0.951 -9.238 -8.311 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.942 -7.747 -7.296 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.138 -9.143 -6.256 1.00 0.00 H new ATOM 1069 N GLY A 72 -0.088 -10.153 -5.596 1.00 0.00 N ATOM 1070 CA GLY A 72 -0.494 -11.231 -4.711 1.00 0.00 C ATOM 1071 C GLY A 72 -1.181 -12.353 -5.494 1.00 0.00 C ATOM 1072 O GLY A 72 -1.808 -12.103 -6.522 1.00 0.00 O ATOM 0 H GLY A 72 -0.660 -9.311 -5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.378 -11.627 -4.190 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.172 -10.846 -3.950 1.00 0.00 H new