USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 402 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 14 LYS NZ :NH3+ 180:sc=-0.00165 (180deg=0) USER MOD Set 1.2: A 17 GLN : amide:sc= -0.514 K(o=-0.52,f=-5.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 40:sc= 0.0127 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -126:sc= -0.291 (180deg=-2.69!) USER MOD Single : A 22 ASN : amide:sc= -0.162 X(o=-0.16,f=-0.15) USER MOD Single : A 23 MET CE :methyl -103:sc= -0.566 (180deg=-3.44!) USER MOD Single : A 25 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.78) USER MOD Single : A 30 SER OG : rot -26:sc= 0.0104 USER MOD Single : A 35 GLN : amide:sc= -1.91! C(o=-1.9!,f=-5.7!) USER MOD Single : A 38 ASN : amide:sc= 0.851 K(o=0.85,f=-5.8!) USER MOD Single : A 39 LYS NZ :NH3+ -150:sc= -0.0534 (180deg=-0.505) USER MOD Single : A 44 ASN : amide:sc= -0.704 K(o=-0.7,f=-2!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 147:sc= -2.28 (180deg=-5.18!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.747 6.431 17.951 1.00 0.00 N ATOM 2 CA GLY A 1 -12.399 5.950 17.700 1.00 0.00 C ATOM 3 C GLY A 1 -12.048 4.788 18.633 1.00 0.00 C ATOM 4 O GLY A 1 -11.098 4.875 19.408 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.960 7.218 17.306 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.426 5.659 17.792 1.00 0.00 H new ATOM 0 H3 GLY A 1 -13.821 6.760 18.935 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.312 5.627 16.663 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.687 6.763 17.842 1.00 0.00 H new ATOM 8 N SER A 2 -12.835 3.728 18.526 1.00 0.00 N ATOM 9 CA SER A 2 -12.620 2.550 19.350 1.00 0.00 C ATOM 10 C SER A 2 -13.032 1.292 18.583 1.00 0.00 C ATOM 11 O SER A 2 -12.223 0.386 18.390 1.00 0.00 O ATOM 12 CB SER A 2 -13.397 2.648 20.664 1.00 0.00 C ATOM 13 OG SER A 2 -12.838 1.818 21.678 1.00 0.00 O ATOM 0 H SER A 2 -13.623 3.660 17.881 1.00 0.00 H new ATOM 0 HA SER A 2 -11.558 2.490 19.590 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.403 3.683 21.005 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.435 2.363 20.493 1.00 0.00 H new ATOM 0 HG SER A 2 -13.361 1.910 22.501 1.00 0.00 H new ATOM 19 N SER A 3 -14.289 1.277 18.165 1.00 0.00 N ATOM 20 CA SER A 3 -14.818 0.146 17.423 1.00 0.00 C ATOM 21 C SER A 3 -14.136 0.051 16.057 1.00 0.00 C ATOM 22 O SER A 3 -13.512 1.009 15.603 1.00 0.00 O ATOM 23 CB SER A 3 -16.334 0.258 17.253 1.00 0.00 C ATOM 24 OG SER A 3 -16.704 1.422 16.519 1.00 0.00 O ATOM 0 H SER A 3 -14.957 2.031 18.326 1.00 0.00 H new ATOM 0 HA SER A 3 -14.610 -0.762 17.990 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.708 -0.628 16.740 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.808 0.282 18.234 1.00 0.00 H new ATOM 0 HG SER A 3 -17.679 1.457 16.430 1.00 0.00 H new ATOM 30 N GLY A 4 -14.278 -1.113 15.439 1.00 0.00 N ATOM 31 CA GLY A 4 -13.684 -1.345 14.134 1.00 0.00 C ATOM 32 C GLY A 4 -12.347 -2.076 14.263 1.00 0.00 C ATOM 33 O GLY A 4 -12.126 -2.810 15.225 1.00 0.00 O ATOM 0 H GLY A 4 -14.796 -1.905 15.819 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.366 -1.932 13.519 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.535 -0.393 13.624 1.00 0.00 H new ATOM 37 N SER A 5 -11.488 -1.852 13.279 1.00 0.00 N ATOM 38 CA SER A 5 -10.178 -2.480 13.270 1.00 0.00 C ATOM 39 C SER A 5 -9.145 -1.546 13.903 1.00 0.00 C ATOM 40 O SER A 5 -8.985 -0.407 13.469 1.00 0.00 O ATOM 41 CB SER A 5 -9.756 -2.853 11.847 1.00 0.00 C ATOM 42 OG SER A 5 -10.029 -1.807 10.919 1.00 0.00 O ATOM 0 H SER A 5 -11.674 -1.244 12.482 1.00 0.00 H new ATOM 0 HA SER A 5 -10.235 -3.398 13.855 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.690 -3.082 11.833 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.280 -3.758 11.539 1.00 0.00 H new ATOM 0 HG SER A 5 -9.819 -0.942 11.330 1.00 0.00 H new ATOM 48 N SER A 6 -8.472 -2.064 14.920 1.00 0.00 N ATOM 49 CA SER A 6 -7.459 -1.290 15.618 1.00 0.00 C ATOM 50 C SER A 6 -6.067 -1.837 15.293 1.00 0.00 C ATOM 51 O SER A 6 -5.877 -3.049 15.207 1.00 0.00 O ATOM 52 CB SER A 6 -7.696 -1.307 17.129 1.00 0.00 C ATOM 53 OG SER A 6 -7.274 -0.096 17.750 1.00 0.00 O ATOM 0 H SER A 6 -8.608 -3.010 15.277 1.00 0.00 H new ATOM 0 HA SER A 6 -7.525 -0.256 15.279 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.756 -1.466 17.328 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.159 -2.147 17.571 1.00 0.00 H new ATOM 0 HG SER A 6 -7.444 -0.146 18.714 1.00 0.00 H new ATOM 59 N GLY A 7 -5.130 -0.916 15.121 1.00 0.00 N ATOM 60 CA GLY A 7 -3.761 -1.291 14.808 1.00 0.00 C ATOM 61 C GLY A 7 -3.658 -1.850 13.388 1.00 0.00 C ATOM 62 O GLY A 7 -4.658 -2.270 12.807 1.00 0.00 O ATOM 0 H GLY A 7 -5.292 0.089 15.192 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.110 -0.423 14.909 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.412 -2.036 15.523 1.00 0.00 H new ATOM 66 N CYS A 8 -2.439 -1.837 12.869 1.00 0.00 N ATOM 67 CA CYS A 8 -2.191 -2.338 11.527 1.00 0.00 C ATOM 68 C CYS A 8 -2.759 -3.755 11.431 1.00 0.00 C ATOM 69 O CYS A 8 -3.305 -4.276 12.402 1.00 0.00 O ATOM 70 CB CYS A 8 -0.704 -2.293 11.172 1.00 0.00 C ATOM 71 SG CYS A 8 0.219 -3.501 12.192 1.00 0.00 S ATOM 0 H CYS A 8 -1.612 -1.488 13.353 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.690 -1.698 10.799 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.567 -2.518 10.114 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.312 -1.290 11.338 1.00 0.00 H new ATOM 0 HG CYS A 8 1.481 -3.457 11.882 1.00 0.00 H new ATOM 77 N SER A 9 -2.611 -4.339 10.251 1.00 0.00 N ATOM 78 CA SER A 9 -3.102 -5.686 10.015 1.00 0.00 C ATOM 79 C SER A 9 -2.234 -6.383 8.965 1.00 0.00 C ATOM 80 O SER A 9 -1.453 -5.735 8.271 1.00 0.00 O ATOM 81 CB SER A 9 -4.565 -5.668 9.568 1.00 0.00 C ATOM 82 OG SER A 9 -5.295 -6.777 10.087 1.00 0.00 O ATOM 0 H SER A 9 -2.158 -3.904 9.448 1.00 0.00 H new ATOM 0 HA SER A 9 -3.043 -6.241 10.951 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.033 -4.740 9.896 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.612 -5.681 8.479 1.00 0.00 H new ATOM 0 HG SER A 9 -6.225 -6.729 9.781 1.00 0.00 H new ATOM 88 N GLU A 10 -2.401 -7.695 8.883 1.00 0.00 N ATOM 89 CA GLU A 10 -1.643 -8.487 7.929 1.00 0.00 C ATOM 90 C GLU A 10 -2.418 -8.623 6.617 1.00 0.00 C ATOM 91 O GLU A 10 -1.824 -8.822 5.559 1.00 0.00 O ATOM 92 CB GLU A 10 -1.299 -9.861 8.508 1.00 0.00 C ATOM 93 CG GLU A 10 -0.319 -10.608 7.602 1.00 0.00 C ATOM 94 CD GLU A 10 0.887 -11.114 8.396 1.00 0.00 C ATOM 95 OE1 GLU A 10 1.861 -10.339 8.503 1.00 0.00 O ATOM 96 OE2 GLU A 10 0.806 -12.264 8.879 1.00 0.00 O ATOM 0 H GLU A 10 -3.050 -8.229 9.461 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.705 -7.971 7.722 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.864 -9.743 9.501 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.210 -10.448 8.627 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.825 -11.449 7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.018 -9.948 6.803 1.00 0.00 H new ATOM 103 N GLU A 11 -3.734 -8.511 6.730 1.00 0.00 N ATOM 104 CA GLU A 11 -4.596 -8.620 5.566 1.00 0.00 C ATOM 105 C GLU A 11 -4.405 -7.410 4.649 1.00 0.00 C ATOM 106 O GLU A 11 -4.043 -7.562 3.483 1.00 0.00 O ATOM 107 CB GLU A 11 -6.061 -8.766 5.981 1.00 0.00 C ATOM 108 CG GLU A 11 -6.641 -10.094 5.489 1.00 0.00 C ATOM 109 CD GLU A 11 -8.170 -10.051 5.467 1.00 0.00 C ATOM 110 OE1 GLU A 11 -8.703 -9.238 4.681 1.00 0.00 O ATOM 111 OE2 GLU A 11 -8.771 -10.831 6.236 1.00 0.00 O ATOM 0 H GLU A 11 -4.223 -8.346 7.610 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.317 -9.518 5.014 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.142 -8.709 7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.642 -7.938 5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.266 -10.310 4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.306 -10.904 6.137 1.00 0.00 H new ATOM 118 N ASP A 12 -4.655 -6.237 5.210 1.00 0.00 N ATOM 119 CA ASP A 12 -4.515 -5.002 4.457 1.00 0.00 C ATOM 120 C ASP A 12 -3.127 -4.957 3.813 1.00 0.00 C ATOM 121 O ASP A 12 -3.008 -4.842 2.595 1.00 0.00 O ATOM 122 CB ASP A 12 -4.652 -3.782 5.370 1.00 0.00 C ATOM 123 CG ASP A 12 -3.845 -3.851 6.668 1.00 0.00 C ATOM 124 OD1 ASP A 12 -3.261 -4.928 6.916 1.00 0.00 O ATOM 125 OD2 ASP A 12 -3.830 -2.825 7.382 1.00 0.00 O ATOM 0 H ASP A 12 -4.954 -6.115 6.178 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.300 -4.977 3.701 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.344 -2.896 4.815 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.705 -3.651 5.621 1.00 0.00 H new ATOM 130 N LEU A 13 -2.113 -5.050 4.661 1.00 0.00 N ATOM 131 CA LEU A 13 -0.739 -5.021 4.190 1.00 0.00 C ATOM 132 C LEU A 13 -0.607 -5.923 2.961 1.00 0.00 C ATOM 133 O LEU A 13 -0.434 -5.435 1.845 1.00 0.00 O ATOM 134 CB LEU A 13 0.223 -5.382 5.324 1.00 0.00 C ATOM 135 CG LEU A 13 1.335 -4.370 5.607 1.00 0.00 C ATOM 136 CD1 LEU A 13 1.864 -4.523 7.035 1.00 0.00 C ATOM 137 CD2 LEU A 13 2.452 -4.477 4.568 1.00 0.00 C ATOM 0 H LEU A 13 -2.216 -5.145 5.671 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.464 -4.014 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.357 -5.519 6.236 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.683 -6.342 5.092 1.00 0.00 H new ATOM 0 HG LEU A 13 0.914 -3.368 5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.653 -3.792 7.211 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.052 -4.358 7.743 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.264 -5.528 7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.229 -3.747 4.793 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.878 -5.480 4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.046 -4.281 3.576 1.00 0.00 H new ATOM 149 N LYS A 14 -0.694 -7.222 3.207 1.00 0.00 N ATOM 150 CA LYS A 14 -0.586 -8.196 2.134 1.00 0.00 C ATOM 151 C LYS A 14 -1.324 -7.672 0.901 1.00 0.00 C ATOM 152 O LYS A 14 -0.783 -7.687 -0.204 1.00 0.00 O ATOM 153 CB LYS A 14 -1.071 -9.568 2.605 1.00 0.00 C ATOM 154 CG LYS A 14 0.107 -10.460 3.002 1.00 0.00 C ATOM 155 CD LYS A 14 0.728 -11.126 1.773 1.00 0.00 C ATOM 156 CE LYS A 14 2.078 -11.760 2.116 1.00 0.00 C ATOM 157 NZ LYS A 14 3.150 -11.186 1.272 1.00 0.00 N ATOM 0 H LYS A 14 -0.838 -7.623 4.134 1.00 0.00 H new ATOM 0 HA LYS A 14 0.457 -8.334 1.847 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.743 -9.448 3.455 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.643 -10.048 1.811 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.861 -9.865 3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.230 -11.224 3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.051 -11.889 1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 14 0.859 -10.387 0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.307 -11.594 3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.028 -12.839 1.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.059 -11.627 1.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.937 -11.366 0.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.208 -10.160 1.434 1.00 0.00 H new ATOM 171 N ALA A 15 -2.549 -7.223 1.130 1.00 0.00 N ATOM 172 CA ALA A 15 -3.367 -6.696 0.051 1.00 0.00 C ATOM 173 C ALA A 15 -2.529 -5.739 -0.799 1.00 0.00 C ATOM 174 O ALA A 15 -2.476 -5.872 -2.021 1.00 0.00 O ATOM 175 CB ALA A 15 -4.610 -6.021 0.635 1.00 0.00 C ATOM 0 H ALA A 15 -2.995 -7.213 2.047 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.708 -7.501 -0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.224 -5.626 -0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.186 -6.750 1.204 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.307 -5.206 1.292 1.00 0.00 H new ATOM 181 N ILE A 16 -1.894 -4.796 -0.118 1.00 0.00 N ATOM 182 CA ILE A 16 -1.060 -3.818 -0.796 1.00 0.00 C ATOM 183 C ILE A 16 0.092 -4.536 -1.501 1.00 0.00 C ATOM 184 O ILE A 16 0.329 -4.319 -2.688 1.00 0.00 O ATOM 185 CB ILE A 16 -0.602 -2.735 0.184 1.00 0.00 C ATOM 186 CG1 ILE A 16 -1.798 -1.972 0.756 1.00 0.00 C ATOM 187 CG2 ILE A 16 0.416 -1.799 -0.471 1.00 0.00 C ATOM 188 CD1 ILE A 16 -1.431 -1.286 2.074 1.00 0.00 C ATOM 0 H ILE A 16 -1.940 -4.689 0.895 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.631 -3.299 -1.566 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.101 -3.221 1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.137 -1.227 0.036 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.628 -2.659 0.918 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.725 -1.039 0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.286 -2.373 -0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.037 -1.317 -1.337 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.299 -0.751 2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.116 -2.036 2.799 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.617 -0.582 1.903 1.00 0.00 H new ATOM 200 N GLN A 17 0.777 -5.377 -0.740 1.00 0.00 N ATOM 201 CA GLN A 17 1.899 -6.129 -1.278 1.00 0.00 C ATOM 202 C GLN A 17 1.573 -6.634 -2.685 1.00 0.00 C ATOM 203 O GLN A 17 2.341 -6.414 -3.620 1.00 0.00 O ATOM 204 CB GLN A 17 2.276 -7.287 -0.352 1.00 0.00 C ATOM 205 CG GLN A 17 3.740 -7.189 0.081 1.00 0.00 C ATOM 206 CD GLN A 17 4.614 -8.160 -0.716 1.00 0.00 C ATOM 207 OE1 GLN A 17 4.489 -9.370 -0.619 1.00 0.00 O ATOM 208 NE2 GLN A 17 5.503 -7.564 -1.506 1.00 0.00 N ATOM 0 H GLN A 17 0.577 -5.555 0.244 1.00 0.00 H new ATOM 0 HA GLN A 17 2.760 -5.464 -1.343 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.632 -7.279 0.527 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.107 -8.235 -0.862 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.098 -6.170 -0.063 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.824 -7.409 1.145 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.554 -6.546 -1.539 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.134 -8.125 -2.079 1.00 0.00 H new ATOM 217 N ASP A 18 0.434 -7.302 -2.790 1.00 0.00 N ATOM 218 CA ASP A 18 -0.002 -7.841 -4.067 1.00 0.00 C ATOM 219 C ASP A 18 -0.012 -6.722 -5.111 1.00 0.00 C ATOM 220 O ASP A 18 0.427 -6.921 -6.243 1.00 0.00 O ATOM 221 CB ASP A 18 -1.420 -8.408 -3.970 1.00 0.00 C ATOM 222 CG ASP A 18 -2.068 -8.762 -5.310 1.00 0.00 C ATOM 223 OD1 ASP A 18 -1.312 -8.845 -6.302 1.00 0.00 O ATOM 224 OD2 ASP A 18 -3.305 -8.940 -5.312 1.00 0.00 O ATOM 0 H ASP A 18 -0.200 -7.482 -2.012 1.00 0.00 H new ATOM 0 HA ASP A 18 0.687 -8.637 -4.350 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.396 -9.303 -3.348 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.052 -7.681 -3.459 1.00 0.00 H new ATOM 229 N MET A 19 -0.517 -5.570 -4.693 1.00 0.00 N ATOM 230 CA MET A 19 -0.589 -4.420 -5.578 1.00 0.00 C ATOM 231 C MET A 19 0.802 -3.836 -5.832 1.00 0.00 C ATOM 232 O MET A 19 1.074 -3.320 -6.915 1.00 0.00 O ATOM 233 CB MET A 19 -1.486 -3.350 -4.952 1.00 0.00 C ATOM 234 CG MET A 19 -2.961 -3.638 -5.235 1.00 0.00 C ATOM 235 SD MET A 19 -3.536 -2.615 -6.581 1.00 0.00 S ATOM 236 CE MET A 19 -3.434 -1.007 -5.813 1.00 0.00 C ATOM 0 H MET A 19 -0.880 -5.409 -3.754 1.00 0.00 H new ATOM 0 HA MET A 19 -1.006 -4.744 -6.532 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.319 -3.314 -3.876 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.220 -2.370 -5.349 1.00 0.00 H new ATOM 0 HG2 MET A 19 -3.093 -4.691 -5.485 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.555 -3.446 -4.342 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.398 -0.504 -5.892 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.170 -1.122 -4.762 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.672 -0.411 -6.316 1.00 0.00 H new ATOM 246 N PHE A 20 1.646 -3.937 -4.816 1.00 0.00 N ATOM 247 CA PHE A 20 3.002 -3.425 -4.916 1.00 0.00 C ATOM 248 C PHE A 20 4.014 -4.448 -4.396 1.00 0.00 C ATOM 249 O PHE A 20 4.516 -4.319 -3.281 1.00 0.00 O ATOM 250 CB PHE A 20 3.072 -2.169 -4.044 1.00 0.00 C ATOM 251 CG PHE A 20 2.114 -1.057 -4.478 1.00 0.00 C ATOM 252 CD1 PHE A 20 2.378 -0.330 -5.596 1.00 0.00 C ATOM 253 CD2 PHE A 20 0.999 -0.796 -3.744 1.00 0.00 C ATOM 254 CE1 PHE A 20 1.489 0.701 -5.999 1.00 0.00 C ATOM 255 CE2 PHE A 20 0.110 0.235 -4.146 1.00 0.00 C ATOM 256 CZ PHE A 20 0.374 0.963 -5.265 1.00 0.00 C ATOM 0 H PHE A 20 1.417 -4.366 -3.919 1.00 0.00 H new ATOM 0 HA PHE A 20 3.243 -3.212 -5.957 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.852 -2.443 -3.012 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.091 -1.784 -4.061 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.264 -0.537 -6.178 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.790 -1.373 -2.855 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.698 1.277 -6.888 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.776 0.442 -3.564 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.301 1.748 -5.570 1.00 0.00 H new ATOM 266 N PRO A 21 4.292 -5.468 -5.252 1.00 0.00 N ATOM 267 CA PRO A 21 5.235 -6.513 -4.891 1.00 0.00 C ATOM 268 C PRO A 21 6.675 -6.004 -4.976 1.00 0.00 C ATOM 269 O PRO A 21 7.442 -6.140 -4.024 1.00 0.00 O ATOM 270 CB PRO A 21 4.949 -7.651 -5.857 1.00 0.00 C ATOM 271 CG PRO A 21 4.182 -7.034 -7.014 1.00 0.00 C ATOM 272 CD PRO A 21 3.717 -5.653 -6.581 1.00 0.00 C ATOM 0 HA PRO A 21 5.121 -6.846 -3.859 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.875 -8.111 -6.203 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.365 -8.435 -5.375 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.816 -6.964 -7.898 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.329 -7.657 -7.282 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.062 -4.884 -7.272 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.629 -5.592 -6.554 1.00 0.00 H new ATOM 280 N ASN A 22 6.999 -5.429 -6.125 1.00 0.00 N ATOM 281 CA ASN A 22 8.334 -4.899 -6.346 1.00 0.00 C ATOM 282 C ASN A 22 8.744 -4.043 -5.147 1.00 0.00 C ATOM 283 O ASN A 22 9.902 -4.061 -4.733 1.00 0.00 O ATOM 284 CB ASN A 22 8.376 -4.016 -7.594 1.00 0.00 C ATOM 285 CG ASN A 22 7.756 -4.733 -8.795 1.00 0.00 C ATOM 286 OD1 ASN A 22 8.176 -5.807 -9.194 1.00 0.00 O ATOM 287 ND2 ASN A 22 6.736 -4.082 -9.347 1.00 0.00 N ATOM 0 H ASN A 22 6.360 -5.319 -6.913 1.00 0.00 H new ATOM 0 HA ASN A 22 9.013 -5.741 -6.477 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.839 -3.086 -7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.408 -3.748 -7.819 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.255 -4.479 -10.154 1.00 0.00 H new ATOM 0 HD22 ASN A 22 6.435 -3.186 -8.963 1.00 0.00 H new ATOM 294 N MET A 23 7.771 -3.313 -4.621 1.00 0.00 N ATOM 295 CA MET A 23 8.016 -2.451 -3.477 1.00 0.00 C ATOM 296 C MET A 23 8.579 -3.250 -2.300 1.00 0.00 C ATOM 297 O MET A 23 8.689 -4.473 -2.371 1.00 0.00 O ATOM 298 CB MET A 23 6.709 -1.776 -3.057 1.00 0.00 C ATOM 299 CG MET A 23 6.445 -0.523 -3.895 1.00 0.00 C ATOM 300 SD MET A 23 5.233 0.508 -3.087 1.00 0.00 S ATOM 301 CE MET A 23 6.223 1.165 -1.755 1.00 0.00 C ATOM 0 H MET A 23 6.811 -3.301 -4.966 1.00 0.00 H new ATOM 0 HA MET A 23 8.749 -1.697 -3.764 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.881 -2.476 -3.172 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.757 -1.509 -2.001 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.372 0.033 -4.035 1.00 0.00 H new ATOM 0 HG3 MET A 23 6.091 -0.806 -4.886 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.974 0.649 -0.828 1.00 0.00 H new ATOM 0 HE2 MET A 23 7.279 1.018 -1.980 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.021 2.230 -1.643 1.00 0.00 H new ATOM 311 N ASP A 24 8.921 -2.526 -1.244 1.00 0.00 N ATOM 312 CA ASP A 24 9.470 -3.151 -0.053 1.00 0.00 C ATOM 313 C ASP A 24 8.368 -3.290 0.999 1.00 0.00 C ATOM 314 O ASP A 24 7.675 -2.322 1.308 1.00 0.00 O ATOM 315 CB ASP A 24 10.592 -2.303 0.547 1.00 0.00 C ATOM 316 CG ASP A 24 11.748 -1.991 -0.406 1.00 0.00 C ATOM 317 OD1 ASP A 24 11.632 -2.385 -1.587 1.00 0.00 O ATOM 318 OD2 ASP A 24 12.722 -1.367 0.068 1.00 0.00 O ATOM 0 H ASP A 24 8.828 -1.512 -1.189 1.00 0.00 H new ATOM 0 HA ASP A 24 9.867 -4.126 -0.337 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.168 -1.363 0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.990 -2.820 1.420 1.00 0.00 H new ATOM 323 N GLN A 25 8.240 -4.502 1.520 1.00 0.00 N ATOM 324 CA GLN A 25 7.234 -4.780 2.530 1.00 0.00 C ATOM 325 C GLN A 25 7.294 -3.730 3.642 1.00 0.00 C ATOM 326 O GLN A 25 6.320 -3.019 3.883 1.00 0.00 O ATOM 327 CB GLN A 25 7.403 -6.190 3.099 1.00 0.00 C ATOM 328 CG GLN A 25 6.073 -6.946 3.095 1.00 0.00 C ATOM 329 CD GLN A 25 5.804 -7.589 4.457 1.00 0.00 C ATOM 330 OE1 GLN A 25 6.709 -7.948 5.193 1.00 0.00 O ATOM 331 NE2 GLN A 25 4.513 -7.716 4.750 1.00 0.00 N ATOM 0 H GLN A 25 8.817 -5.302 1.261 1.00 0.00 H new ATOM 0 HA GLN A 25 6.252 -4.728 2.060 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.139 -6.738 2.510 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.789 -6.131 4.117 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.262 -6.262 2.845 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.090 -7.715 2.323 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.806 -7.395 4.089 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.230 -8.135 5.636 1.00 0.00 H new ATOM 340 N GLU A 26 8.448 -3.665 4.290 1.00 0.00 N ATOM 341 CA GLU A 26 8.648 -2.714 5.370 1.00 0.00 C ATOM 342 C GLU A 26 8.107 -1.339 4.973 1.00 0.00 C ATOM 343 O GLU A 26 7.494 -0.651 5.788 1.00 0.00 O ATOM 344 CB GLU A 26 10.125 -2.630 5.760 1.00 0.00 C ATOM 345 CG GLU A 26 11.009 -2.449 4.524 1.00 0.00 C ATOM 346 CD GLU A 26 12.292 -3.275 4.642 1.00 0.00 C ATOM 347 OE1 GLU A 26 13.068 -2.986 5.578 1.00 0.00 O ATOM 348 OE2 GLU A 26 12.467 -4.176 3.793 1.00 0.00 O ATOM 0 H GLU A 26 9.254 -4.256 4.088 1.00 0.00 H new ATOM 0 HA GLU A 26 8.095 -3.063 6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.277 -1.796 6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.417 -3.536 6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.459 -2.750 3.632 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.260 -1.395 4.403 1.00 0.00 H new ATOM 355 N VAL A 27 8.352 -0.981 3.721 1.00 0.00 N ATOM 356 CA VAL A 27 7.896 0.300 3.207 1.00 0.00 C ATOM 357 C VAL A 27 6.370 0.291 3.109 1.00 0.00 C ATOM 358 O VAL A 27 5.705 1.179 3.640 1.00 0.00 O ATOM 359 CB VAL A 27 8.580 0.600 1.871 1.00 0.00 C ATOM 360 CG1 VAL A 27 7.962 1.831 1.204 1.00 0.00 C ATOM 361 CG2 VAL A 27 10.089 0.775 2.055 1.00 0.00 C ATOM 0 H VAL A 27 8.860 -1.555 3.048 1.00 0.00 H new ATOM 0 HA VAL A 27 8.173 1.106 3.887 1.00 0.00 H new ATOM 0 HB VAL A 27 8.420 -0.254 1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.466 2.023 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.902 1.653 1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.077 2.696 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.551 0.987 1.091 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.279 1.603 2.738 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.514 -0.140 2.467 1.00 0.00 H new ATOM 371 N ILE A 28 5.858 -0.722 2.426 1.00 0.00 N ATOM 372 CA ILE A 28 4.422 -0.858 2.251 1.00 0.00 C ATOM 373 C ILE A 28 3.736 -0.767 3.616 1.00 0.00 C ATOM 374 O ILE A 28 2.647 -0.207 3.731 1.00 0.00 O ATOM 375 CB ILE A 28 4.095 -2.140 1.482 1.00 0.00 C ATOM 376 CG1 ILE A 28 4.421 -1.986 -0.005 1.00 0.00 C ATOM 377 CG2 ILE A 28 2.641 -2.560 1.710 1.00 0.00 C ATOM 378 CD1 ILE A 28 4.468 -3.348 -0.700 1.00 0.00 C ATOM 0 H ILE A 28 6.412 -1.457 1.987 1.00 0.00 H new ATOM 0 HA ILE A 28 4.033 -0.041 1.643 1.00 0.00 H new ATOM 0 HB ILE A 28 4.726 -2.941 1.868 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.670 -1.356 -0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.380 -1.482 -0.120 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.434 -3.474 1.153 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.476 -2.738 2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.975 -1.768 1.367 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.702 -3.210 -1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.236 -3.967 -0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.500 -3.839 -0.604 1.00 0.00 H new ATOM 390 N ARG A 29 4.401 -1.327 4.615 1.00 0.00 N ATOM 391 CA ARG A 29 3.869 -1.316 5.967 1.00 0.00 C ATOM 392 C ARG A 29 4.126 0.040 6.628 1.00 0.00 C ATOM 393 O ARG A 29 3.410 0.432 7.548 1.00 0.00 O ATOM 394 CB ARG A 29 4.503 -2.419 6.818 1.00 0.00 C ATOM 395 CG ARG A 29 4.584 -2.000 8.287 1.00 0.00 C ATOM 396 CD ARG A 29 4.835 -3.210 9.189 1.00 0.00 C ATOM 397 NE ARG A 29 6.134 -3.064 9.883 1.00 0.00 N ATOM 398 CZ ARG A 29 6.723 -4.039 10.587 1.00 0.00 C ATOM 399 NH1 ARG A 29 6.134 -5.238 10.696 1.00 0.00 N ATOM 400 NH2 ARG A 29 7.902 -3.816 11.184 1.00 0.00 N ATOM 0 H ARG A 29 5.304 -1.791 4.516 1.00 0.00 H new ATOM 0 HA ARG A 29 2.796 -1.495 5.902 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.917 -3.334 6.729 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.502 -2.643 6.444 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.385 -1.272 8.418 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.656 -1.509 8.581 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.031 -3.302 9.920 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.832 -4.124 8.595 1.00 0.00 H new ATOM 0 HE ARG A 29 6.611 -2.164 9.821 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.236 -5.408 10.242 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.583 -5.980 11.232 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.351 -2.904 11.102 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.351 -4.559 11.720 1.00 0.00 H new ATOM 414 N SER A 30 5.151 0.718 6.134 1.00 0.00 N ATOM 415 CA SER A 30 5.512 2.021 6.665 1.00 0.00 C ATOM 416 C SER A 30 4.527 3.080 6.167 1.00 0.00 C ATOM 417 O SER A 30 4.459 4.178 6.717 1.00 0.00 O ATOM 418 CB SER A 30 6.942 2.400 6.272 1.00 0.00 C ATOM 419 OG SER A 30 7.445 3.475 7.061 1.00 0.00 O ATOM 0 H SER A 30 5.743 0.389 5.371 1.00 0.00 H new ATOM 0 HA SER A 30 5.464 1.972 7.753 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.591 1.532 6.386 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.966 2.681 5.219 1.00 0.00 H new ATOM 0 HG SER A 30 6.698 4.017 7.390 1.00 0.00 H new ATOM 425 N VAL A 31 3.787 2.713 5.130 1.00 0.00 N ATOM 426 CA VAL A 31 2.808 3.618 4.552 1.00 0.00 C ATOM 427 C VAL A 31 1.448 3.382 5.212 1.00 0.00 C ATOM 428 O VAL A 31 0.785 4.329 5.632 1.00 0.00 O ATOM 429 CB VAL A 31 2.772 3.448 3.032 1.00 0.00 C ATOM 430 CG1 VAL A 31 1.678 4.317 2.409 1.00 0.00 C ATOM 431 CG2 VAL A 31 4.137 3.756 2.413 1.00 0.00 C ATOM 0 H VAL A 31 3.846 1.802 4.676 1.00 0.00 H new ATOM 0 HA VAL A 31 3.086 4.654 4.744 1.00 0.00 H new ATOM 0 HB VAL A 31 2.535 2.406 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.674 4.177 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.709 4.029 2.816 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.871 5.365 2.639 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.084 3.627 1.332 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.417 4.784 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.884 3.076 2.823 1.00 0.00 H new ATOM 441 N LEU A 32 1.074 2.113 5.284 1.00 0.00 N ATOM 442 CA LEU A 32 -0.195 1.740 5.886 1.00 0.00 C ATOM 443 C LEU A 32 -0.241 2.253 7.327 1.00 0.00 C ATOM 444 O LEU A 32 -1.262 2.775 7.771 1.00 0.00 O ATOM 445 CB LEU A 32 -0.424 0.232 5.762 1.00 0.00 C ATOM 446 CG LEU A 32 -1.556 -0.346 6.614 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.920 -0.050 5.988 1.00 0.00 C ATOM 448 CD2 LEU A 32 -1.349 -1.843 6.857 1.00 0.00 C ATOM 0 H LEU A 32 1.627 1.330 4.936 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.022 2.209 5.354 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.628 0.000 4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.501 -0.279 6.027 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.536 0.144 7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.707 -0.472 6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.058 1.028 5.909 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.969 -0.495 4.994 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.167 -2.229 7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.328 -2.367 5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.404 -2.000 7.378 1.00 0.00 H new ATOM 460 N GLU A 33 0.878 2.085 8.017 1.00 0.00 N ATOM 461 CA GLU A 33 0.978 2.525 9.398 1.00 0.00 C ATOM 462 C GLU A 33 0.974 4.053 9.470 1.00 0.00 C ATOM 463 O GLU A 33 0.326 4.635 10.338 1.00 0.00 O ATOM 464 CB GLU A 33 2.226 1.947 10.068 1.00 0.00 C ATOM 465 CG GLU A 33 1.882 0.700 10.886 1.00 0.00 C ATOM 466 CD GLU A 33 1.979 0.985 12.386 1.00 0.00 C ATOM 467 OE1 GLU A 33 3.112 1.257 12.840 1.00 0.00 O ATOM 468 OE2 GLU A 33 0.919 0.924 13.045 1.00 0.00 O ATOM 0 H GLU A 33 1.723 1.650 7.645 1.00 0.00 H new ATOM 0 HA GLU A 33 0.109 2.154 9.941 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.967 1.695 9.309 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.676 2.699 10.716 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.874 0.366 10.640 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.560 -0.111 10.622 1.00 0.00 H new ATOM 475 N ALA A 34 1.706 4.659 8.547 1.00 0.00 N ATOM 476 CA ALA A 34 1.796 6.108 8.495 1.00 0.00 C ATOM 477 C ALA A 34 0.457 6.681 8.026 1.00 0.00 C ATOM 478 O ALA A 34 0.241 7.891 8.084 1.00 0.00 O ATOM 479 CB ALA A 34 2.956 6.516 7.586 1.00 0.00 C ATOM 0 H ALA A 34 2.243 4.172 7.829 1.00 0.00 H new ATOM 0 HA ALA A 34 2.000 6.516 9.485 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.023 7.603 7.547 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.887 6.109 7.980 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.786 6.127 6.582 1.00 0.00 H new ATOM 485 N GLN A 35 -0.406 5.785 7.570 1.00 0.00 N ATOM 486 CA GLN A 35 -1.718 6.187 7.091 1.00 0.00 C ATOM 487 C GLN A 35 -2.805 5.705 8.053 1.00 0.00 C ATOM 488 O GLN A 35 -3.857 5.234 7.622 1.00 0.00 O ATOM 489 CB GLN A 35 -1.968 5.663 5.675 1.00 0.00 C ATOM 490 CG GLN A 35 -1.027 6.330 4.670 1.00 0.00 C ATOM 491 CD GLN A 35 -1.445 7.777 4.404 1.00 0.00 C ATOM 492 OE1 GLN A 35 -2.595 8.078 4.127 1.00 0.00 O ATOM 493 NE2 GLN A 35 -0.450 8.655 4.503 1.00 0.00 N ATOM 0 H GLN A 35 -0.223 4.783 7.522 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.751 7.276 7.052 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.824 4.583 5.652 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.003 5.852 5.391 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.006 6.307 5.052 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.031 5.769 3.735 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.490 8.336 4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.627 9.647 4.344 1.00 0.00 H new ATOM 502 N ARG A 36 -2.515 5.840 9.339 1.00 0.00 N ATOM 503 CA ARG A 36 -3.455 5.425 10.366 1.00 0.00 C ATOM 504 C ARG A 36 -4.018 4.040 10.041 1.00 0.00 C ATOM 505 O ARG A 36 -5.118 3.697 10.472 1.00 0.00 O ATOM 506 CB ARG A 36 -4.609 6.421 10.492 1.00 0.00 C ATOM 507 CG ARG A 36 -4.191 7.645 11.310 1.00 0.00 C ATOM 508 CD ARG A 36 -4.686 8.936 10.655 1.00 0.00 C ATOM 509 NE ARG A 36 -6.143 9.086 10.868 1.00 0.00 N ATOM 510 CZ ARG A 36 -6.889 10.047 10.308 1.00 0.00 C ATOM 511 NH1 ARG A 36 -6.321 10.949 9.497 1.00 0.00 N ATOM 512 NH2 ARG A 36 -8.204 10.106 10.558 1.00 0.00 N ATOM 0 H ARG A 36 -1.642 6.231 9.693 1.00 0.00 H new ATOM 0 HA ARG A 36 -2.917 5.389 11.313 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.932 6.736 9.500 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.462 5.936 10.967 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.594 7.567 12.320 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -3.105 7.672 11.402 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.159 9.792 11.076 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.466 8.919 9.588 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.608 8.415 11.480 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.320 10.904 9.306 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.889 11.681 9.071 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.637 9.419 11.175 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.772 10.838 10.131 1.00 0.00 H new ATOM 526 N GLY A 37 -3.238 3.281 9.285 1.00 0.00 N ATOM 527 CA GLY A 37 -3.646 1.942 8.898 1.00 0.00 C ATOM 528 C GLY A 37 -4.709 1.988 7.799 1.00 0.00 C ATOM 529 O GLY A 37 -5.706 1.270 7.864 1.00 0.00 O ATOM 0 H GLY A 37 -2.326 3.568 8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.780 1.381 8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.038 1.412 9.766 1.00 0.00 H new ATOM 533 N ASN A 38 -4.461 2.840 6.815 1.00 0.00 N ATOM 534 CA ASN A 38 -5.385 2.989 5.703 1.00 0.00 C ATOM 535 C ASN A 38 -4.782 2.344 4.454 1.00 0.00 C ATOM 536 O ASN A 38 -3.653 2.653 4.074 1.00 0.00 O ATOM 537 CB ASN A 38 -5.642 4.466 5.395 1.00 0.00 C ATOM 538 CG ASN A 38 -6.999 4.656 4.715 1.00 0.00 C ATOM 539 OD1 ASN A 38 -7.208 4.281 3.573 1.00 0.00 O ATOM 540 ND2 ASN A 38 -7.907 5.258 5.478 1.00 0.00 N ATOM 0 H ASN A 38 -3.634 3.434 6.765 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.324 2.509 5.978 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.610 5.045 6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -4.851 4.850 4.750 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.844 5.431 5.115 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.666 5.547 6.426 1.00 0.00 H new ATOM 547 N LYS A 39 -5.561 1.459 3.849 1.00 0.00 N ATOM 548 CA LYS A 39 -5.117 0.767 2.651 1.00 0.00 C ATOM 549 C LYS A 39 -5.286 1.691 1.443 1.00 0.00 C ATOM 550 O LYS A 39 -4.349 1.882 0.668 1.00 0.00 O ATOM 551 CB LYS A 39 -5.842 -0.572 2.506 1.00 0.00 C ATOM 552 CG LYS A 39 -5.209 -1.422 1.403 1.00 0.00 C ATOM 553 CD LYS A 39 -6.199 -2.462 0.875 1.00 0.00 C ATOM 554 CE LYS A 39 -7.215 -1.820 -0.073 1.00 0.00 C ATOM 555 NZ LYS A 39 -8.537 -1.711 0.582 1.00 0.00 N ATOM 0 H LYS A 39 -6.497 1.205 4.166 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.057 0.523 2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.807 -1.113 3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.893 -0.397 2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.882 -0.779 0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.321 -1.923 1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.659 -3.252 0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.720 -2.930 1.710 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.868 -0.831 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -7.301 -2.416 -0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.286 -1.772 -0.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.650 -2.485 1.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.605 -0.799 1.077 1.00 0.00 H new ATOM 569 N ASP A 40 -6.486 2.239 1.319 1.00 0.00 N ATOM 570 CA ASP A 40 -6.789 3.137 0.219 1.00 0.00 C ATOM 571 C ASP A 40 -5.803 4.308 0.235 1.00 0.00 C ATOM 572 O ASP A 40 -5.142 4.581 -0.765 1.00 0.00 O ATOM 573 CB ASP A 40 -8.202 3.708 0.347 1.00 0.00 C ATOM 574 CG ASP A 40 -8.596 4.710 -0.741 1.00 0.00 C ATOM 575 OD1 ASP A 40 -8.263 5.901 -0.562 1.00 0.00 O ATOM 576 OD2 ASP A 40 -9.222 4.261 -1.726 1.00 0.00 O ATOM 0 H ASP A 40 -7.260 2.078 1.963 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.711 2.571 -0.709 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.914 2.883 0.335 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.295 4.194 1.318 1.00 0.00 H new ATOM 581 N ALA A 41 -5.736 4.967 1.383 1.00 0.00 N ATOM 582 CA ALA A 41 -4.843 6.102 1.543 1.00 0.00 C ATOM 583 C ALA A 41 -3.407 5.660 1.251 1.00 0.00 C ATOM 584 O ALA A 41 -2.688 6.326 0.507 1.00 0.00 O ATOM 585 CB ALA A 41 -4.999 6.681 2.950 1.00 0.00 C ATOM 0 H ALA A 41 -6.286 4.736 2.211 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.096 6.892 0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.329 7.532 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.029 7.006 3.097 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.751 5.918 3.687 1.00 0.00 H new ATOM 591 N ALA A 42 -3.033 4.539 1.851 1.00 0.00 N ATOM 592 CA ALA A 42 -1.696 4.001 1.664 1.00 0.00 C ATOM 593 C ALA A 42 -1.453 3.757 0.173 1.00 0.00 C ATOM 594 O ALA A 42 -0.487 4.266 -0.393 1.00 0.00 O ATOM 595 CB ALA A 42 -1.538 2.727 2.497 1.00 0.00 C ATOM 0 H ALA A 42 -3.632 3.989 2.467 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.944 4.711 2.008 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.535 2.323 2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.692 2.960 3.551 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.274 1.990 2.177 1.00 0.00 H new ATOM 601 N ILE A 43 -2.346 2.978 -0.420 1.00 0.00 N ATOM 602 CA ILE A 43 -2.240 2.660 -1.833 1.00 0.00 C ATOM 603 C ILE A 43 -1.945 3.940 -2.619 1.00 0.00 C ATOM 604 O ILE A 43 -1.012 3.979 -3.420 1.00 0.00 O ATOM 605 CB ILE A 43 -3.491 1.921 -2.311 1.00 0.00 C ATOM 606 CG1 ILE A 43 -3.494 0.472 -1.819 1.00 0.00 C ATOM 607 CG2 ILE A 43 -3.633 2.009 -3.832 1.00 0.00 C ATOM 608 CD1 ILE A 43 -4.758 -0.260 -2.275 1.00 0.00 C ATOM 0 H ILE A 43 -3.146 2.558 0.053 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.408 1.978 -2.008 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.363 2.411 -1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.613 -0.046 -2.198 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.431 0.454 -0.731 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.530 1.475 -4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.710 3.055 -4.130 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.760 1.560 -4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.734 -1.287 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.636 0.246 -1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.805 -0.261 -3.364 1.00 0.00 H new ATOM 620 N ASN A 44 -2.756 4.955 -2.361 1.00 0.00 N ATOM 621 CA ASN A 44 -2.593 6.233 -3.033 1.00 0.00 C ATOM 622 C ASN A 44 -1.181 6.763 -2.776 1.00 0.00 C ATOM 623 O ASN A 44 -0.466 7.114 -3.713 1.00 0.00 O ATOM 624 CB ASN A 44 -3.590 7.265 -2.503 1.00 0.00 C ATOM 625 CG ASN A 44 -3.352 8.635 -3.141 1.00 0.00 C ATOM 626 OD1 ASN A 44 -2.540 8.799 -4.037 1.00 0.00 O ATOM 627 ND2 ASN A 44 -4.102 9.608 -2.630 1.00 0.00 N ATOM 0 H ASN A 44 -3.528 4.919 -1.696 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.766 6.079 -4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.607 6.934 -2.712 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.497 7.343 -1.420 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.016 10.559 -2.988 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.763 9.403 -1.881 1.00 0.00 H new ATOM 634 N SER A 45 -0.823 6.806 -1.501 1.00 0.00 N ATOM 635 CA SER A 45 0.491 7.288 -1.109 1.00 0.00 C ATOM 636 C SER A 45 1.577 6.523 -1.868 1.00 0.00 C ATOM 637 O SER A 45 2.590 7.101 -2.260 1.00 0.00 O ATOM 638 CB SER A 45 0.700 7.149 0.401 1.00 0.00 C ATOM 639 OG SER A 45 0.773 8.416 1.048 1.00 0.00 O ATOM 0 H SER A 45 -1.419 6.515 -0.726 1.00 0.00 H new ATOM 0 HA SER A 45 0.557 8.346 -1.362 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.119 6.570 0.829 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.617 6.592 0.590 1.00 0.00 H new ATOM 0 HG SER A 45 0.905 8.285 2.010 1.00 0.00 H new ATOM 645 N LEU A 46 1.329 5.235 -2.053 1.00 0.00 N ATOM 646 CA LEU A 46 2.274 4.385 -2.758 1.00 0.00 C ATOM 647 C LEU A 46 2.260 4.739 -4.246 1.00 0.00 C ATOM 648 O LEU A 46 3.305 5.019 -4.832 1.00 0.00 O ATOM 649 CB LEU A 46 1.982 2.910 -2.475 1.00 0.00 C ATOM 650 CG LEU A 46 1.922 2.510 -0.999 1.00 0.00 C ATOM 651 CD1 LEU A 46 0.862 1.431 -0.766 1.00 0.00 C ATOM 652 CD2 LEU A 46 3.300 2.078 -0.491 1.00 0.00 C ATOM 0 H LEU A 46 0.488 4.759 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 46 3.287 4.561 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.030 2.653 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.748 2.308 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 46 1.625 3.385 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.840 1.165 0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.115 1.810 -1.065 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.105 0.548 -1.357 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.229 1.799 0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.650 1.224 -1.070 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.003 2.903 -0.601 1.00 0.00 H new ATOM 664 N LEU A 47 1.064 4.717 -4.816 1.00 0.00 N ATOM 665 CA LEU A 47 0.899 5.032 -6.225 1.00 0.00 C ATOM 666 C LEU A 47 1.737 6.266 -6.567 1.00 0.00 C ATOM 667 O LEU A 47 2.565 6.226 -7.477 1.00 0.00 O ATOM 668 CB LEU A 47 -0.583 5.180 -6.572 1.00 0.00 C ATOM 669 CG LEU A 47 -1.133 4.190 -7.600 1.00 0.00 C ATOM 670 CD1 LEU A 47 -2.512 4.627 -8.099 1.00 0.00 C ATOM 671 CD2 LEU A 47 -0.145 3.988 -8.750 1.00 0.00 C ATOM 0 H LEU A 47 0.199 4.486 -4.327 1.00 0.00 H new ATOM 0 HA LEU A 47 1.266 4.214 -6.844 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.162 5.080 -5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.749 6.191 -6.945 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.259 3.224 -7.111 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.880 3.906 -8.829 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.204 4.678 -7.258 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.436 5.609 -8.566 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.561 3.280 -9.467 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.036 4.942 -9.246 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.795 3.599 -8.358 1.00 0.00 H new ATOM 683 N GLN A 48 1.493 7.333 -5.821 1.00 0.00 N ATOM 684 CA GLN A 48 2.215 8.576 -6.035 1.00 0.00 C ATOM 685 C GLN A 48 3.719 8.352 -5.871 1.00 0.00 C ATOM 686 O GLN A 48 4.504 8.723 -6.742 1.00 0.00 O ATOM 687 CB GLN A 48 1.717 9.669 -5.087 1.00 0.00 C ATOM 688 CG GLN A 48 0.816 10.664 -5.821 1.00 0.00 C ATOM 689 CD GLN A 48 1.470 12.045 -5.894 1.00 0.00 C ATOM 690 OE1 GLN A 48 1.310 12.883 -5.022 1.00 0.00 O ATOM 691 NE2 GLN A 48 2.214 12.235 -6.980 1.00 0.00 N ATOM 0 H GLN A 48 0.806 7.363 -5.068 1.00 0.00 H new ATOM 0 HA GLN A 48 2.027 8.911 -7.055 1.00 0.00 H new ATOM 0 HB2 GLN A 48 1.168 9.216 -4.261 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.568 10.195 -4.654 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.612 10.301 -6.828 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.143 10.738 -5.308 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.306 11.491 -7.672 1.00 0.00 H new ATOM 0 HE22 GLN A 48 2.693 13.125 -7.121 1.00 0.00 H new ATOM 700 N MET A 49 4.076 7.745 -4.748 1.00 0.00 N ATOM 701 CA MET A 49 5.472 7.467 -4.459 1.00 0.00 C ATOM 702 C MET A 49 6.174 6.860 -5.676 1.00 0.00 C ATOM 703 O MET A 49 5.680 5.901 -6.266 1.00 0.00 O ATOM 704 CB MET A 49 5.566 6.497 -3.279 1.00 0.00 C ATOM 705 CG MET A 49 5.490 7.246 -1.947 1.00 0.00 C ATOM 706 SD MET A 49 5.344 6.083 -0.600 1.00 0.00 S ATOM 707 CE MET A 49 4.150 6.935 0.417 1.00 0.00 C ATOM 0 H MET A 49 3.422 7.438 -4.028 1.00 0.00 H new ATOM 0 HA MET A 49 5.966 8.406 -4.209 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.758 5.768 -3.337 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.502 5.940 -3.335 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.381 7.859 -1.814 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.635 7.922 -1.949 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.521 6.206 0.928 1.00 0.00 H new ATOM 0 HE2 MET A 49 4.670 7.546 1.155 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.528 7.574 -0.210 1.00 0.00 H new ATOM 717 N GLY A 50 7.314 7.444 -6.014 1.00 0.00 N ATOM 718 CA GLY A 50 8.088 6.973 -7.150 1.00 0.00 C ATOM 719 C GLY A 50 9.461 6.467 -6.705 1.00 0.00 C ATOM 720 O GLY A 50 9.769 6.462 -5.514 1.00 0.00 O ATOM 0 H GLY A 50 7.720 8.239 -5.521 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.548 6.173 -7.656 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.210 7.781 -7.871 1.00 0.00 H new ATOM 724 N GLU A 51 10.250 6.052 -7.685 1.00 0.00 N ATOM 725 CA GLU A 51 11.583 5.545 -7.410 1.00 0.00 C ATOM 726 C GLU A 51 12.590 6.131 -8.402 1.00 0.00 C ATOM 727 O GLU A 51 12.508 5.870 -9.602 1.00 0.00 O ATOM 728 CB GLU A 51 11.606 4.016 -7.443 1.00 0.00 C ATOM 729 CG GLU A 51 11.055 3.430 -6.142 1.00 0.00 C ATOM 730 CD GLU A 51 11.065 1.901 -6.181 1.00 0.00 C ATOM 731 OE1 GLU A 51 10.494 1.354 -7.150 1.00 0.00 O ATOM 732 OE2 GLU A 51 11.643 1.313 -5.242 1.00 0.00 O ATOM 0 H GLU A 51 9.991 6.057 -8.672 1.00 0.00 H new ATOM 0 HA GLU A 51 11.869 5.858 -6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.015 3.658 -8.286 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.627 3.668 -7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.652 3.780 -5.300 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.038 3.786 -5.981 1.00 0.00 H new ATOM 739 N GLU A 52 13.516 6.911 -7.866 1.00 0.00 N ATOM 740 CA GLU A 52 14.537 7.536 -8.690 1.00 0.00 C ATOM 741 C GLU A 52 15.642 6.530 -9.019 1.00 0.00 C ATOM 742 O GLU A 52 16.363 6.080 -8.130 1.00 0.00 O ATOM 743 CB GLU A 52 15.112 8.776 -8.004 1.00 0.00 C ATOM 744 CG GLU A 52 15.998 9.573 -8.964 1.00 0.00 C ATOM 745 CD GLU A 52 17.441 9.631 -8.459 1.00 0.00 C ATOM 746 OE1 GLU A 52 18.027 8.540 -8.289 1.00 0.00 O ATOM 747 OE2 GLU A 52 17.926 10.765 -8.254 1.00 0.00 O ATOM 0 H GLU A 52 13.581 7.125 -6.871 1.00 0.00 H new ATOM 0 HA GLU A 52 14.076 7.859 -9.623 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.299 9.407 -7.645 1.00 0.00 H new ATOM 0 HB3 GLU A 52 15.693 8.477 -7.131 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.973 9.115 -9.953 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.606 10.584 -9.072 1.00 0.00 H new ATOM 754 N PRO A 53 15.743 6.197 -10.334 1.00 0.00 N ATOM 755 CA PRO A 53 16.748 5.253 -10.792 1.00 0.00 C ATOM 756 C PRO A 53 18.136 5.896 -10.812 1.00 0.00 C ATOM 757 O PRO A 53 18.258 7.115 -10.913 1.00 0.00 O ATOM 758 CB PRO A 53 16.276 4.813 -12.169 1.00 0.00 C ATOM 759 CG PRO A 53 15.282 5.868 -12.625 1.00 0.00 C ATOM 760 CD PRO A 53 14.907 6.709 -11.415 1.00 0.00 C ATOM 0 HA PRO A 53 16.852 4.394 -10.129 1.00 0.00 H new ATOM 0 HB2 PRO A 53 17.113 4.739 -12.863 1.00 0.00 H new ATOM 0 HB3 PRO A 53 15.809 3.829 -12.126 1.00 0.00 H new ATOM 0 HG2 PRO A 53 15.719 6.493 -13.404 1.00 0.00 H new ATOM 0 HG3 PRO A 53 14.396 5.398 -13.053 1.00 0.00 H new ATOM 0 HD2 PRO A 53 15.096 7.767 -11.594 1.00 0.00 H new ATOM 0 HD3 PRO A 53 13.848 6.610 -11.177 1.00 0.00 H new ATOM 768 N SER A 54 19.148 5.046 -10.715 1.00 0.00 N ATOM 769 CA SER A 54 20.523 5.516 -10.721 1.00 0.00 C ATOM 770 C SER A 54 21.402 4.553 -11.522 1.00 0.00 C ATOM 771 O SER A 54 22.002 3.640 -10.957 1.00 0.00 O ATOM 772 CB SER A 54 21.060 5.666 -9.297 1.00 0.00 C ATOM 773 OG SER A 54 22.183 6.541 -9.239 1.00 0.00 O ATOM 0 H SER A 54 19.043 4.035 -10.632 1.00 0.00 H new ATOM 0 HA SER A 54 20.547 6.498 -11.194 1.00 0.00 H new ATOM 0 HB2 SER A 54 20.270 6.047 -8.650 1.00 0.00 H new ATOM 0 HB3 SER A 54 21.343 4.687 -8.911 1.00 0.00 H new ATOM 0 HG SER A 54 22.495 6.611 -8.313 1.00 0.00 H new ATOM 779 N GLY A 55 21.450 4.790 -12.824 1.00 0.00 N ATOM 780 CA GLY A 55 22.246 3.955 -13.708 1.00 0.00 C ATOM 781 C GLY A 55 23.095 4.808 -14.652 1.00 0.00 C ATOM 782 O GLY A 55 22.893 6.017 -14.752 1.00 0.00 O ATOM 0 H GLY A 55 20.951 5.548 -13.289 1.00 0.00 H new ATOM 0 HA2 GLY A 55 22.893 3.307 -13.117 1.00 0.00 H new ATOM 0 HA3 GLY A 55 21.590 3.306 -14.289 1.00 0.00 H new ATOM 786 N PRO A 56 24.052 4.128 -15.337 1.00 0.00 N ATOM 787 CA PRO A 56 24.933 4.810 -16.270 1.00 0.00 C ATOM 788 C PRO A 56 24.198 5.153 -17.567 1.00 0.00 C ATOM 789 O PRO A 56 24.220 6.300 -18.012 1.00 0.00 O ATOM 790 CB PRO A 56 26.098 3.857 -16.481 1.00 0.00 C ATOM 791 CG PRO A 56 25.606 2.491 -16.029 1.00 0.00 C ATOM 792 CD PRO A 56 24.320 2.696 -15.244 1.00 0.00 C ATOM 0 HA PRO A 56 25.285 5.769 -15.891 1.00 0.00 H new ATOM 0 HB2 PRO A 56 26.401 3.836 -17.528 1.00 0.00 H new ATOM 0 HB3 PRO A 56 26.968 4.170 -15.903 1.00 0.00 H new ATOM 0 HG2 PRO A 56 25.430 1.845 -16.889 1.00 0.00 H new ATOM 0 HG3 PRO A 56 26.357 2.000 -15.410 1.00 0.00 H new ATOM 0 HD2 PRO A 56 23.502 2.112 -15.665 1.00 0.00 H new ATOM 0 HD3 PRO A 56 24.435 2.381 -14.207 1.00 0.00 H new ATOM 800 N SER A 57 23.566 4.138 -18.138 1.00 0.00 N ATOM 801 CA SER A 57 22.826 4.318 -19.375 1.00 0.00 C ATOM 802 C SER A 57 21.963 3.086 -19.653 1.00 0.00 C ATOM 803 O SER A 57 22.421 1.955 -19.497 1.00 0.00 O ATOM 804 CB SER A 57 23.772 4.579 -20.549 1.00 0.00 C ATOM 805 OG SER A 57 24.425 3.390 -20.983 1.00 0.00 O ATOM 0 H SER A 57 23.551 3.188 -17.767 1.00 0.00 H new ATOM 0 HA SER A 57 22.180 5.188 -19.263 1.00 0.00 H new ATOM 0 HB2 SER A 57 23.210 5.007 -21.379 1.00 0.00 H new ATOM 0 HB3 SER A 57 24.519 5.316 -20.255 1.00 0.00 H new ATOM 0 HG SER A 57 25.018 3.598 -21.735 1.00 0.00 H new ATOM 811 N SER A 58 20.729 3.346 -20.059 1.00 0.00 N ATOM 812 CA SER A 58 19.798 2.272 -20.360 1.00 0.00 C ATOM 813 C SER A 58 19.695 2.077 -21.874 1.00 0.00 C ATOM 814 O SER A 58 19.966 0.990 -22.383 1.00 0.00 O ATOM 815 CB SER A 58 18.417 2.557 -19.766 1.00 0.00 C ATOM 816 OG SER A 58 17.928 1.461 -18.999 1.00 0.00 O ATOM 0 H SER A 58 20.352 4.285 -20.187 1.00 0.00 H new ATOM 0 HA SER A 58 20.176 1.355 -19.907 1.00 0.00 H new ATOM 0 HB2 SER A 58 18.470 3.445 -19.136 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.715 2.778 -20.570 1.00 0.00 H new ATOM 0 HG SER A 58 17.045 1.684 -18.636 1.00 0.00 H new ATOM 822 N GLY A 59 19.303 3.146 -22.550 1.00 0.00 N ATOM 823 CA GLY A 59 19.161 3.106 -23.996 1.00 0.00 C ATOM 824 C GLY A 59 17.936 2.286 -24.404 1.00 0.00 C ATOM 825 O GLY A 59 17.855 1.805 -25.533 1.00 0.00 O ATOM 0 H GLY A 59 19.079 4.045 -22.124 1.00 0.00 H new ATOM 0 HA2 GLY A 59 19.070 4.120 -24.384 1.00 0.00 H new ATOM 0 HA3 GLY A 59 20.057 2.674 -24.441 1.00 0.00 H new TER 829 GLY A 59