USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=16 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 Single : A 1 GLY N :NH3+ 136:sc= 0.0064 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0323 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 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 45:sc= 0.172 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.55) USER MOD Single : A 19 MET CE :methyl -151:sc= -0.17 (180deg=-0.747) USER MOD Single : A 22 ASN : amide:sc= -2.33 X(o=-2.3,f=-2.5) USER MOD Single : A 23 MET CE :methyl 172:sc= -0.746 (180deg=-0.943) USER MOD Single : A 25 GLN : amide:sc=-0.00595 X(o=-0.0059,f=-0.14) USER MOD Single : A 30 SER OG : rot -25:sc= 0.0543 USER MOD Single : A 35 GLN : amide:sc= -2.44! C(o=-2.4!,f=-6.4!) USER MOD Single : A 38 ASN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -96:sc= -0.298 (180deg=-1.2) USER MOD Single : A 44 ASN : amide:sc= -1.97! C(o=-2!,f=-4!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 49 MET CE :methyl -143:sc= -0.341 (180deg=-1.31!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 39:sc= 0.0653 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.856 -0.820 8.533 1.00 0.00 N ATOM 2 CA GLY A 1 -19.288 -2.127 8.252 1.00 0.00 C ATOM 3 C GLY A 1 -18.089 -2.013 7.308 1.00 0.00 C ATOM 4 O GLY A 1 -18.136 -1.275 6.325 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.893 -0.873 8.478 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.575 -0.517 9.487 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.507 -0.133 7.835 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.978 -2.601 9.184 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.047 -2.769 7.805 1.00 0.00 H new ATOM 8 N SER A 2 -17.042 -2.755 7.640 1.00 0.00 N ATOM 9 CA SER A 2 -15.833 -2.746 6.835 1.00 0.00 C ATOM 10 C SER A 2 -15.296 -1.318 6.712 1.00 0.00 C ATOM 11 O SER A 2 -15.539 -0.644 5.713 1.00 0.00 O ATOM 12 CB SER A 2 -16.091 -3.336 5.447 1.00 0.00 C ATOM 13 OG SER A 2 -15.040 -3.034 4.534 1.00 0.00 O ATOM 0 H SER A 2 -17.007 -3.366 8.456 1.00 0.00 H new ATOM 0 HA SER A 2 -15.087 -3.367 7.332 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.201 -4.417 5.528 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.032 -2.948 5.057 1.00 0.00 H new ATOM 0 HG SER A 2 -15.242 -3.430 3.660 1.00 0.00 H new ATOM 19 N SER A 3 -14.577 -0.900 7.744 1.00 0.00 N ATOM 20 CA SER A 3 -14.004 0.435 7.764 1.00 0.00 C ATOM 21 C SER A 3 -12.584 0.387 8.331 1.00 0.00 C ATOM 22 O SER A 3 -11.634 0.802 7.670 1.00 0.00 O ATOM 23 CB SER A 3 -14.871 1.394 8.584 1.00 0.00 C ATOM 24 OG SER A 3 -14.856 2.715 8.050 1.00 0.00 O ATOM 0 H SER A 3 -14.378 -1.462 8.572 1.00 0.00 H new ATOM 0 HA SER A 3 -13.967 0.807 6.740 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.896 1.025 8.609 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.514 1.415 9.614 1.00 0.00 H new ATOM 0 HG SER A 3 -15.422 3.296 8.600 1.00 0.00 H new ATOM 30 N GLY A 4 -12.485 -0.124 9.550 1.00 0.00 N ATOM 31 CA GLY A 4 -11.197 -0.232 10.213 1.00 0.00 C ATOM 32 C GLY A 4 -11.256 -1.239 11.364 1.00 0.00 C ATOM 33 O GLY A 4 -11.600 -0.881 12.489 1.00 0.00 O ATOM 0 H GLY A 4 -13.276 -0.467 10.095 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.438 -0.540 9.494 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.897 0.744 10.594 1.00 0.00 H new ATOM 37 N SER A 5 -10.914 -2.478 11.042 1.00 0.00 N ATOM 38 CA SER A 5 -10.924 -3.539 12.035 1.00 0.00 C ATOM 39 C SER A 5 -10.250 -3.058 13.321 1.00 0.00 C ATOM 40 O SER A 5 -10.891 -2.973 14.368 1.00 0.00 O ATOM 41 CB SER A 5 -10.225 -4.793 11.507 1.00 0.00 C ATOM 42 OG SER A 5 -10.475 -5.930 12.330 1.00 0.00 O ATOM 0 H SER A 5 -10.628 -2.771 10.108 1.00 0.00 H new ATOM 0 HA SER A 5 -11.961 -3.797 12.250 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.566 -4.998 10.492 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.151 -4.614 11.453 1.00 0.00 H new ATOM 0 HG SER A 5 -10.013 -6.711 11.959 1.00 0.00 H new ATOM 48 N SER A 6 -8.965 -2.755 13.201 1.00 0.00 N ATOM 49 CA SER A 6 -8.198 -2.285 14.342 1.00 0.00 C ATOM 50 C SER A 6 -6.828 -1.783 13.879 1.00 0.00 C ATOM 51 O SER A 6 -5.878 -2.558 13.787 1.00 0.00 O ATOM 52 CB SER A 6 -8.033 -3.389 15.388 1.00 0.00 C ATOM 53 OG SER A 6 -8.110 -2.881 16.717 1.00 0.00 O ATOM 0 H SER A 6 -8.436 -2.826 12.331 1.00 0.00 H new ATOM 0 HA SER A 6 -8.743 -1.462 14.805 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.806 -4.144 15.243 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.073 -3.884 15.244 1.00 0.00 H new ATOM 0 HG SER A 6 -8.002 -3.617 17.355 1.00 0.00 H new ATOM 59 N GLY A 7 -6.771 -0.489 13.602 1.00 0.00 N ATOM 60 CA GLY A 7 -5.533 0.126 13.151 1.00 0.00 C ATOM 61 C GLY A 7 -4.876 -0.709 12.050 1.00 0.00 C ATOM 62 O GLY A 7 -5.559 -1.231 11.171 1.00 0.00 O ATOM 0 H GLY A 7 -7.561 0.151 13.681 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.736 1.130 12.779 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.847 0.230 13.992 1.00 0.00 H new ATOM 66 N CYS A 8 -3.557 -0.807 12.134 1.00 0.00 N ATOM 67 CA CYS A 8 -2.800 -1.569 11.156 1.00 0.00 C ATOM 68 C CYS A 8 -3.457 -2.942 11.003 1.00 0.00 C ATOM 69 O CYS A 8 -4.321 -3.313 11.796 1.00 0.00 O ATOM 70 CB CYS A 8 -1.325 -1.683 11.546 1.00 0.00 C ATOM 71 SG CYS A 8 -1.172 -2.451 13.200 1.00 0.00 S ATOM 0 H CYS A 8 -2.994 -0.371 12.864 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.816 -1.051 10.197 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.790 -2.281 10.808 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.864 -0.695 11.551 1.00 0.00 H new ATOM 0 HG CYS A 8 0.084 -2.545 13.520 1.00 0.00 H new ATOM 77 N SER A 9 -3.023 -3.660 9.978 1.00 0.00 N ATOM 78 CA SER A 9 -3.558 -4.984 9.711 1.00 0.00 C ATOM 79 C SER A 9 -2.609 -5.757 8.792 1.00 0.00 C ATOM 80 O SER A 9 -1.866 -5.158 8.016 1.00 0.00 O ATOM 81 CB SER A 9 -4.951 -4.899 9.084 1.00 0.00 C ATOM 82 OG SER A 9 -5.982 -5.125 10.041 1.00 0.00 O ATOM 0 H SER A 9 -2.306 -3.350 9.322 1.00 0.00 H new ATOM 0 HA SER A 9 -3.647 -5.514 10.659 1.00 0.00 H new ATOM 0 HB2 SER A 9 -5.085 -3.917 8.631 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.033 -5.633 8.282 1.00 0.00 H new ATOM 0 HG SER A 9 -5.784 -4.623 10.859 1.00 0.00 H new ATOM 88 N GLU A 10 -2.665 -7.075 8.911 1.00 0.00 N ATOM 89 CA GLU A 10 -1.820 -7.936 8.101 1.00 0.00 C ATOM 90 C GLU A 10 -2.520 -8.281 6.785 1.00 0.00 C ATOM 91 O GLU A 10 -1.864 -8.597 5.793 1.00 0.00 O ATOM 92 CB GLU A 10 -1.434 -9.203 8.866 1.00 0.00 C ATOM 93 CG GLU A 10 -0.132 -9.000 9.642 1.00 0.00 C ATOM 94 CD GLU A 10 -0.412 -8.525 11.070 1.00 0.00 C ATOM 95 OE1 GLU A 10 -1.323 -7.682 11.218 1.00 0.00 O ATOM 96 OE2 GLU A 10 0.291 -9.016 11.979 1.00 0.00 O ATOM 0 H GLU A 10 -3.282 -7.568 9.556 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.901 -7.397 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.234 -9.474 9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.320 -10.033 8.168 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.429 -9.934 9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.492 -8.269 9.128 1.00 0.00 H new ATOM 103 N GLU A 11 -3.842 -8.209 6.819 1.00 0.00 N ATOM 104 CA GLU A 11 -4.639 -8.510 5.641 1.00 0.00 C ATOM 105 C GLU A 11 -4.528 -7.375 4.621 1.00 0.00 C ATOM 106 O GLU A 11 -4.009 -7.572 3.523 1.00 0.00 O ATOM 107 CB GLU A 11 -6.099 -8.768 6.018 1.00 0.00 C ATOM 108 CG GLU A 11 -6.400 -10.267 6.054 1.00 0.00 C ATOM 109 CD GLU A 11 -7.884 -10.523 6.323 1.00 0.00 C ATOM 110 OE1 GLU A 11 -8.469 -9.720 7.082 1.00 0.00 O ATOM 111 OE2 GLU A 11 -8.400 -11.514 5.764 1.00 0.00 O ATOM 0 H GLU A 11 -4.382 -7.947 7.644 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.250 -9.421 5.186 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.310 -8.328 6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.756 -8.279 5.299 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.115 -10.721 5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.799 -10.744 6.829 1.00 0.00 H new ATOM 118 N ASP A 12 -5.023 -6.213 5.020 1.00 0.00 N ATOM 119 CA ASP A 12 -4.986 -5.047 4.154 1.00 0.00 C ATOM 120 C ASP A 12 -3.578 -4.890 3.577 1.00 0.00 C ATOM 121 O ASP A 12 -3.416 -4.523 2.414 1.00 0.00 O ATOM 122 CB ASP A 12 -5.324 -3.773 4.931 1.00 0.00 C ATOM 123 CG ASP A 12 -6.789 -3.339 4.855 1.00 0.00 C ATOM 124 OD1 ASP A 12 -7.553 -4.039 4.156 1.00 0.00 O ATOM 125 OD2 ASP A 12 -7.112 -2.317 5.498 1.00 0.00 O ATOM 0 H ASP A 12 -5.452 -6.054 5.932 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.721 -5.192 3.362 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.059 -3.923 5.978 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.700 -2.961 4.557 1.00 0.00 H new ATOM 130 N LEU A 13 -2.594 -5.175 4.418 1.00 0.00 N ATOM 131 CA LEU A 13 -1.204 -5.070 4.006 1.00 0.00 C ATOM 132 C LEU A 13 -0.958 -5.998 2.815 1.00 0.00 C ATOM 133 O LEU A 13 -0.769 -5.536 1.692 1.00 0.00 O ATOM 134 CB LEU A 13 -0.273 -5.330 5.192 1.00 0.00 C ATOM 135 CG LEU A 13 0.667 -4.184 5.571 1.00 0.00 C ATOM 136 CD1 LEU A 13 1.304 -4.427 6.940 1.00 0.00 C ATOM 137 CD2 LEU A 13 1.717 -3.953 4.483 1.00 0.00 C ATOM 0 H LEU A 13 -2.732 -5.478 5.382 1.00 0.00 H new ATOM 0 HA LEU A 13 -0.981 -4.057 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.884 -5.575 6.061 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.331 -6.210 4.969 1.00 0.00 H new ATOM 0 HG LEU A 13 0.077 -3.270 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.967 -3.598 7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.523 -4.503 7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.876 -5.354 6.916 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.372 -3.133 4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.308 -4.859 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.221 -3.702 3.546 1.00 0.00 H new ATOM 149 N LYS A 14 -0.968 -7.292 3.103 1.00 0.00 N ATOM 150 CA LYS A 14 -0.748 -8.289 2.069 1.00 0.00 C ATOM 151 C LYS A 14 -1.460 -7.855 0.787 1.00 0.00 C ATOM 152 O LYS A 14 -0.916 -7.993 -0.307 1.00 0.00 O ATOM 153 CB LYS A 14 -1.164 -9.675 2.565 1.00 0.00 C ATOM 154 CG LYS A 14 -0.254 -10.761 1.988 1.00 0.00 C ATOM 155 CD LYS A 14 -0.619 -11.066 0.534 1.00 0.00 C ATOM 156 CE LYS A 14 0.628 -11.405 -0.285 1.00 0.00 C ATOM 157 NZ LYS A 14 1.196 -12.701 0.147 1.00 0.00 N ATOM 0 H LYS A 14 -1.125 -7.672 4.036 1.00 0.00 H new ATOM 0 HA LYS A 14 0.313 -8.365 1.833 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.123 -9.703 3.654 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.197 -9.872 2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.785 -10.438 2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -0.340 -11.668 2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.320 -11.900 0.499 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.125 -10.206 0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.374 -11.448 -1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.373 -10.618 -0.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.042 -12.915 -0.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.457 -12.648 1.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.489 -13.452 0.012 1.00 0.00 H new ATOM 171 N ALA A 15 -2.668 -7.340 0.965 1.00 0.00 N ATOM 172 CA ALA A 15 -3.461 -6.885 -0.165 1.00 0.00 C ATOM 173 C ALA A 15 -2.616 -5.948 -1.030 1.00 0.00 C ATOM 174 O ALA A 15 -2.507 -6.144 -2.240 1.00 0.00 O ATOM 175 CB ALA A 15 -4.738 -6.214 0.345 1.00 0.00 C ATOM 0 H ALA A 15 -3.117 -7.228 1.874 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.762 -7.728 -0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.333 -5.873 -0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.316 -6.929 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.476 -5.361 0.971 1.00 0.00 H new ATOM 181 N ILE A 16 -2.041 -4.949 -0.377 1.00 0.00 N ATOM 182 CA ILE A 16 -1.209 -3.981 -1.073 1.00 0.00 C ATOM 183 C ILE A 16 -0.035 -4.705 -1.734 1.00 0.00 C ATOM 184 O ILE A 16 0.214 -4.532 -2.926 1.00 0.00 O ATOM 185 CB ILE A 16 -0.784 -2.859 -0.123 1.00 0.00 C ATOM 186 CG1 ILE A 16 -2.003 -2.189 0.514 1.00 0.00 C ATOM 187 CG2 ILE A 16 0.119 -1.850 -0.835 1.00 0.00 C ATOM 188 CD1 ILE A 16 -1.590 -1.311 1.697 1.00 0.00 C ATOM 0 H ILE A 16 -2.134 -4.789 0.626 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.774 -3.496 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.200 -3.299 0.685 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.520 -1.583 -0.230 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.707 -2.950 0.850 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.406 -1.063 -0.137 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.013 -2.356 -1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.418 -1.411 -1.676 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.475 -0.846 2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -1.095 -1.924 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.905 -0.536 1.353 1.00 0.00 H new ATOM 200 N GLN A 17 0.656 -5.501 -0.930 1.00 0.00 N ATOM 201 CA GLN A 17 1.798 -6.252 -1.422 1.00 0.00 C ATOM 202 C GLN A 17 1.505 -6.812 -2.816 1.00 0.00 C ATOM 203 O GLN A 17 2.285 -6.614 -3.745 1.00 0.00 O ATOM 204 CB GLN A 17 2.178 -7.371 -0.451 1.00 0.00 C ATOM 205 CG GLN A 17 3.608 -7.189 0.063 1.00 0.00 C ATOM 206 CD GLN A 17 4.579 -8.108 -0.681 1.00 0.00 C ATOM 207 OE1 GLN A 17 4.677 -9.295 -0.417 1.00 0.00 O ATOM 208 NE2 GLN A 17 5.290 -7.495 -1.624 1.00 0.00 N ATOM 0 H GLN A 17 0.447 -5.642 0.058 1.00 0.00 H new ATOM 0 HA GLN A 17 2.649 -5.575 -1.495 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.484 -7.379 0.389 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.087 -8.336 -0.949 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.915 -6.151 -0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.644 -7.404 1.131 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.159 -6.498 -1.794 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.966 -8.022 -2.177 1.00 0.00 H new ATOM 217 N ASP A 18 0.377 -7.501 -2.916 1.00 0.00 N ATOM 218 CA ASP A 18 -0.029 -8.091 -4.181 1.00 0.00 C ATOM 219 C ASP A 18 -0.012 -7.016 -5.269 1.00 0.00 C ATOM 220 O ASP A 18 0.528 -7.233 -6.353 1.00 0.00 O ATOM 221 CB ASP A 18 -1.449 -8.655 -4.095 1.00 0.00 C ATOM 222 CG ASP A 18 -1.702 -9.902 -4.943 1.00 0.00 C ATOM 223 OD1 ASP A 18 -0.796 -10.244 -5.734 1.00 0.00 O ATOM 224 OD2 ASP A 18 -2.795 -10.486 -4.782 1.00 0.00 O ATOM 0 H ASP A 18 -0.268 -7.664 -2.143 1.00 0.00 H new ATOM 0 HA ASP A 18 0.666 -8.898 -4.415 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.667 -8.892 -3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.151 -7.879 -4.399 1.00 0.00 H new ATOM 229 N MET A 19 -0.610 -5.879 -4.943 1.00 0.00 N ATOM 230 CA MET A 19 -0.670 -4.770 -5.879 1.00 0.00 C ATOM 231 C MET A 19 0.729 -4.230 -6.180 1.00 0.00 C ATOM 232 O MET A 19 1.052 -3.936 -7.330 1.00 0.00 O ATOM 233 CB MET A 19 -1.534 -3.652 -5.292 1.00 0.00 C ATOM 234 CG MET A 19 -3.021 -3.927 -5.529 1.00 0.00 C ATOM 235 SD MET A 19 -3.592 -3.009 -6.949 1.00 0.00 S ATOM 236 CE MET A 19 -3.525 -1.350 -6.294 1.00 0.00 C ATOM 0 H MET A 19 -1.057 -5.702 -4.043 1.00 0.00 H new ATOM 0 HA MET A 19 -1.108 -5.129 -6.810 1.00 0.00 H new ATOM 0 HB2 MET A 19 -1.343 -3.563 -4.223 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.260 -2.699 -5.745 1.00 0.00 H new ATOM 0 HG2 MET A 19 -3.182 -4.994 -5.686 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.597 -3.645 -4.647 1.00 0.00 H new ATOM 0 HE1 MET A 19 -4.279 -0.734 -6.785 1.00 0.00 H new ATOM 0 HE2 MET A 19 -3.718 -1.374 -5.222 1.00 0.00 H new ATOM 0 HE3 MET A 19 -2.537 -0.927 -6.475 1.00 0.00 H new ATOM 246 N PHE A 20 1.523 -4.114 -5.126 1.00 0.00 N ATOM 247 CA PHE A 20 2.881 -3.614 -5.262 1.00 0.00 C ATOM 248 C PHE A 20 3.888 -4.584 -4.641 1.00 0.00 C ATOM 249 O PHE A 20 4.399 -4.339 -3.550 1.00 0.00 O ATOM 250 CB PHE A 20 2.944 -2.282 -4.512 1.00 0.00 C ATOM 251 CG PHE A 20 1.863 -1.282 -4.926 1.00 0.00 C ATOM 252 CD1 PHE A 20 1.830 -0.804 -6.199 1.00 0.00 C ATOM 253 CD2 PHE A 20 0.934 -0.872 -4.021 1.00 0.00 C ATOM 254 CE1 PHE A 20 0.826 0.124 -6.583 1.00 0.00 C ATOM 255 CE2 PHE A 20 -0.070 0.056 -4.405 1.00 0.00 C ATOM 256 CZ PHE A 20 -0.103 0.534 -5.678 1.00 0.00 C ATOM 0 H PHE A 20 1.252 -4.358 -4.173 1.00 0.00 H new ATOM 0 HA PHE A 20 3.131 -3.500 -6.317 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.856 -2.475 -3.443 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.923 -1.831 -4.675 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.567 -1.130 -6.918 1.00 0.00 H new ATOM 0 HD2 PHE A 20 0.960 -1.252 -3.010 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.800 0.504 -7.594 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.807 0.382 -3.686 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.867 1.239 -5.970 1.00 0.00 H new ATOM 266 N PRO A 21 4.149 -5.694 -5.383 1.00 0.00 N ATOM 267 CA PRO A 21 5.085 -6.702 -4.916 1.00 0.00 C ATOM 268 C PRO A 21 6.530 -6.220 -5.066 1.00 0.00 C ATOM 269 O PRO A 21 7.375 -6.509 -4.221 1.00 0.00 O ATOM 270 CB PRO A 21 4.782 -7.937 -5.750 1.00 0.00 C ATOM 271 CG PRO A 21 4.011 -7.441 -6.962 1.00 0.00 C ATOM 272 CD PRO A 21 3.562 -6.017 -6.680 1.00 0.00 C ATOM 0 HA PRO A 21 4.975 -6.918 -3.853 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.701 -8.441 -6.051 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.195 -8.658 -5.181 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.638 -7.474 -7.853 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.150 -8.081 -7.155 1.00 0.00 H new ATOM 0 HD2 PRO A 21 3.909 -5.332 -7.453 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.475 -5.943 -6.652 1.00 0.00 H new ATOM 280 N ASN A 22 6.768 -5.494 -6.148 1.00 0.00 N ATOM 281 CA ASN A 22 8.095 -4.969 -6.420 1.00 0.00 C ATOM 282 C ASN A 22 8.542 -4.091 -5.249 1.00 0.00 C ATOM 283 O ASN A 22 9.682 -4.184 -4.798 1.00 0.00 O ATOM 284 CB ASN A 22 8.099 -4.107 -7.684 1.00 0.00 C ATOM 285 CG ASN A 22 6.918 -3.135 -7.688 1.00 0.00 C ATOM 286 OD1 ASN A 22 7.002 -2.012 -7.217 1.00 0.00 O ATOM 287 ND2 ASN A 22 5.815 -3.626 -8.245 1.00 0.00 N ATOM 0 H ASN A 22 6.064 -5.257 -6.847 1.00 0.00 H new ATOM 0 HA ASN A 22 8.769 -5.814 -6.558 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.034 -3.550 -7.745 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.051 -4.747 -8.565 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.972 -3.054 -8.297 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.812 -4.574 -8.620 1.00 0.00 H new ATOM 294 N MET A 23 7.619 -3.259 -4.789 1.00 0.00 N ATOM 295 CA MET A 23 7.903 -2.366 -3.679 1.00 0.00 C ATOM 296 C MET A 23 8.508 -3.131 -2.500 1.00 0.00 C ATOM 297 O MET A 23 8.616 -4.356 -2.540 1.00 0.00 O ATOM 298 CB MET A 23 6.610 -1.679 -3.232 1.00 0.00 C ATOM 299 CG MET A 23 6.181 -0.610 -4.239 1.00 0.00 C ATOM 300 SD MET A 23 7.222 0.831 -4.080 1.00 0.00 S ATOM 301 CE MET A 23 6.416 1.645 -2.711 1.00 0.00 C ATOM 0 H MET A 23 6.674 -3.185 -5.165 1.00 0.00 H new ATOM 0 HA MET A 23 8.625 -1.621 -4.013 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.818 -2.421 -3.124 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.756 -1.223 -2.253 1.00 0.00 H new ATOM 0 HG2 MET A 23 6.246 -1.006 -5.252 1.00 0.00 H new ATOM 0 HG3 MET A 23 5.139 -0.337 -4.070 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.019 2.493 -2.386 1.00 0.00 H new ATOM 0 HE2 MET A 23 5.434 1.998 -3.025 1.00 0.00 H new ATOM 0 HE3 MET A 23 6.303 0.942 -1.886 1.00 0.00 H new ATOM 311 N ASP A 24 8.886 -2.378 -1.478 1.00 0.00 N ATOM 312 CA ASP A 24 9.477 -2.970 -0.290 1.00 0.00 C ATOM 313 C ASP A 24 8.413 -3.079 0.804 1.00 0.00 C ATOM 314 O ASP A 24 7.658 -2.136 1.037 1.00 0.00 O ATOM 315 CB ASP A 24 10.619 -2.105 0.246 1.00 0.00 C ATOM 316 CG ASP A 24 12.023 -2.665 0.005 1.00 0.00 C ATOM 317 OD1 ASP A 24 12.102 -3.752 -0.607 1.00 0.00 O ATOM 318 OD2 ASP A 24 12.984 -1.993 0.438 1.00 0.00 O ATOM 0 H ASP A 24 8.794 -1.363 -1.448 1.00 0.00 H new ATOM 0 HA ASP A 24 9.864 -3.952 -0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.554 -1.119 -0.213 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.478 -1.967 1.318 1.00 0.00 H new ATOM 323 N GLN A 25 8.387 -4.237 1.446 1.00 0.00 N ATOM 324 CA GLN A 25 7.428 -4.482 2.510 1.00 0.00 C ATOM 325 C GLN A 25 7.568 -3.422 3.605 1.00 0.00 C ATOM 326 O GLN A 25 6.621 -2.690 3.891 1.00 0.00 O ATOM 327 CB GLN A 25 7.594 -5.889 3.086 1.00 0.00 C ATOM 328 CG GLN A 25 7.005 -6.940 2.143 1.00 0.00 C ATOM 329 CD GLN A 25 7.947 -8.137 1.999 1.00 0.00 C ATOM 330 OE1 GLN A 25 9.115 -8.005 1.672 1.00 0.00 O ATOM 331 NE2 GLN A 25 7.375 -9.310 2.260 1.00 0.00 N ATOM 0 H GLN A 25 9.015 -5.017 1.250 1.00 0.00 H new ATOM 0 HA GLN A 25 6.425 -4.413 2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.651 -6.096 3.252 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.101 -5.949 4.057 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.040 -7.276 2.524 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.824 -6.495 1.164 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.392 -9.349 2.529 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.920 -10.170 2.191 1.00 0.00 H new ATOM 340 N GLU A 26 8.757 -3.373 4.188 1.00 0.00 N ATOM 341 CA GLU A 26 9.033 -2.415 5.245 1.00 0.00 C ATOM 342 C GLU A 26 8.463 -1.042 4.880 1.00 0.00 C ATOM 343 O GLU A 26 8.035 -0.291 5.754 1.00 0.00 O ATOM 344 CB GLU A 26 10.534 -2.327 5.528 1.00 0.00 C ATOM 345 CG GLU A 26 10.982 -3.453 6.462 1.00 0.00 C ATOM 346 CD GLU A 26 12.292 -3.092 7.166 1.00 0.00 C ATOM 347 OE1 GLU A 26 12.354 -1.967 7.707 1.00 0.00 O ATOM 348 OE2 GLU A 26 13.202 -3.950 7.146 1.00 0.00 O ATOM 0 H GLU A 26 9.540 -3.981 3.948 1.00 0.00 H new ATOM 0 HA GLU A 26 8.544 -2.759 6.156 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.088 -2.384 4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.767 -1.362 5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.207 -3.645 7.204 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.113 -4.373 5.892 1.00 0.00 H new ATOM 355 N VAL A 27 8.476 -0.757 3.586 1.00 0.00 N ATOM 356 CA VAL A 27 7.966 0.512 3.094 1.00 0.00 C ATOM 357 C VAL A 27 6.437 0.485 3.118 1.00 0.00 C ATOM 358 O VAL A 27 5.808 1.319 3.767 1.00 0.00 O ATOM 359 CB VAL A 27 8.538 0.802 1.705 1.00 0.00 C ATOM 360 CG1 VAL A 27 7.954 2.095 1.132 1.00 0.00 C ATOM 361 CG2 VAL A 27 10.066 0.860 1.742 1.00 0.00 C ATOM 0 H VAL A 27 8.832 -1.383 2.863 1.00 0.00 H new ATOM 0 HA VAL A 27 8.287 1.330 3.740 1.00 0.00 H new ATOM 0 HB VAL A 27 8.250 -0.017 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.377 2.279 0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.871 2.001 1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.198 2.928 1.791 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.447 1.067 0.742 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.384 1.650 2.422 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.458 -0.096 2.088 1.00 0.00 H new ATOM 371 N ILE A 28 5.882 -0.482 2.401 1.00 0.00 N ATOM 372 CA ILE A 28 4.438 -0.628 2.332 1.00 0.00 C ATOM 373 C ILE A 28 3.842 -0.421 3.725 1.00 0.00 C ATOM 374 O ILE A 28 2.913 0.368 3.896 1.00 0.00 O ATOM 375 CB ILE A 28 4.066 -1.969 1.696 1.00 0.00 C ATOM 376 CG1 ILE A 28 4.519 -2.028 0.236 1.00 0.00 C ATOM 377 CG2 ILE A 28 2.569 -2.248 1.843 1.00 0.00 C ATOM 378 CD1 ILE A 28 4.570 -3.474 -0.264 1.00 0.00 C ATOM 0 H ILE A 28 6.407 -1.172 1.863 1.00 0.00 H new ATOM 0 HA ILE A 28 4.008 0.136 1.685 1.00 0.00 H new ATOM 0 HB ILE A 28 4.595 -2.759 2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.835 -1.449 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.503 -1.571 0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.331 -3.207 1.383 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.307 -2.278 2.901 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.002 -1.458 1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.895 -3.488 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 28 5.273 -4.044 0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.579 -3.921 -0.187 1.00 0.00 H new ATOM 390 N ARG A 29 4.399 -1.144 4.686 1.00 0.00 N ATOM 391 CA ARG A 29 3.933 -1.049 6.059 1.00 0.00 C ATOM 392 C ARG A 29 4.200 0.351 6.615 1.00 0.00 C ATOM 393 O ARG A 29 3.363 0.913 7.320 1.00 0.00 O ATOM 394 CB ARG A 29 4.627 -2.083 6.948 1.00 0.00 C ATOM 395 CG ARG A 29 4.670 -3.452 6.266 1.00 0.00 C ATOM 396 CD ARG A 29 4.660 -4.581 7.299 1.00 0.00 C ATOM 397 NE ARG A 29 4.492 -5.886 6.622 1.00 0.00 N ATOM 398 CZ ARG A 29 4.108 -7.010 7.242 1.00 0.00 C ATOM 399 NH1 ARG A 29 3.852 -6.996 8.557 1.00 0.00 N ATOM 400 NH2 ARG A 29 3.982 -8.149 6.547 1.00 0.00 N ATOM 0 H ARG A 29 5.168 -1.798 4.541 1.00 0.00 H new ATOM 0 HA ARG A 29 2.861 -1.246 6.060 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.641 -1.753 7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.100 -2.163 7.899 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.814 -3.557 5.599 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.566 -3.527 5.649 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.591 -4.574 7.867 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.850 -4.425 8.012 1.00 0.00 H new ATOM 0 HE ARG A 29 4.680 -5.933 5.621 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.949 -6.130 9.086 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.560 -7.852 9.029 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.178 -8.160 5.546 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.690 -9.005 7.019 1.00 0.00 H new ATOM 414 N SER A 30 5.369 0.875 6.276 1.00 0.00 N ATOM 415 CA SER A 30 5.756 2.199 6.732 1.00 0.00 C ATOM 416 C SER A 30 4.730 3.234 6.265 1.00 0.00 C ATOM 417 O SER A 30 4.681 4.345 6.790 1.00 0.00 O ATOM 418 CB SER A 30 7.152 2.570 6.227 1.00 0.00 C ATOM 419 OG SER A 30 7.609 3.802 6.777 1.00 0.00 O ATOM 0 H SER A 30 6.061 0.406 5.691 1.00 0.00 H new ATOM 0 HA SER A 30 5.784 2.190 7.822 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.853 1.776 6.484 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.137 2.642 5.139 1.00 0.00 H new ATOM 0 HG SER A 30 6.839 4.350 7.036 1.00 0.00 H new ATOM 425 N VAL A 31 3.937 2.833 5.283 1.00 0.00 N ATOM 426 CA VAL A 31 2.916 3.711 4.740 1.00 0.00 C ATOM 427 C VAL A 31 1.588 3.446 5.453 1.00 0.00 C ATOM 428 O VAL A 31 0.992 4.359 6.022 1.00 0.00 O ATOM 429 CB VAL A 31 2.825 3.533 3.223 1.00 0.00 C ATOM 430 CG1 VAL A 31 1.647 4.322 2.647 1.00 0.00 C ATOM 431 CG2 VAL A 31 4.137 3.933 2.545 1.00 0.00 C ATOM 0 H VAL A 31 3.981 1.911 4.849 1.00 0.00 H new ATOM 0 HA VAL A 31 3.177 4.754 4.917 1.00 0.00 H new ATOM 0 HB VAL A 31 2.651 2.476 3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.606 4.178 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.719 3.969 3.096 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.777 5.382 2.867 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.046 3.797 1.467 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.354 4.979 2.762 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.947 3.308 2.922 1.00 0.00 H new ATOM 441 N LEU A 32 1.164 2.192 5.398 1.00 0.00 N ATOM 442 CA LEU A 32 -0.082 1.795 6.032 1.00 0.00 C ATOM 443 C LEU A 32 -0.094 2.292 7.479 1.00 0.00 C ATOM 444 O LEU A 32 -1.120 2.762 7.969 1.00 0.00 O ATOM 445 CB LEU A 32 -0.294 0.286 5.898 1.00 0.00 C ATOM 446 CG LEU A 32 -1.352 -0.327 6.817 1.00 0.00 C ATOM 447 CD1 LEU A 32 -2.736 -0.281 6.167 1.00 0.00 C ATOM 448 CD2 LEU A 32 -0.961 -1.747 7.233 1.00 0.00 C ATOM 0 H LEU A 32 1.661 1.438 4.924 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.930 2.259 5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.568 0.068 4.866 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.656 -0.213 6.088 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.403 0.272 7.726 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.470 -0.723 6.841 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.008 0.755 5.963 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.718 -0.842 5.233 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.730 -2.160 7.886 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.864 -2.373 6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.010 -1.722 7.764 1.00 0.00 H new ATOM 460 N GLU A 33 1.058 2.171 8.122 1.00 0.00 N ATOM 461 CA GLU A 33 1.193 2.602 9.503 1.00 0.00 C ATOM 462 C GLU A 33 1.122 4.127 9.592 1.00 0.00 C ATOM 463 O GLU A 33 0.536 4.671 10.527 1.00 0.00 O ATOM 464 CB GLU A 33 2.492 2.076 10.117 1.00 0.00 C ATOM 465 CG GLU A 33 2.234 0.827 10.961 1.00 0.00 C ATOM 466 CD GLU A 33 2.228 1.165 12.454 1.00 0.00 C ATOM 467 OE1 GLU A 33 3.220 1.782 12.900 1.00 0.00 O ATOM 468 OE2 GLU A 33 1.232 0.800 13.115 1.00 0.00 O ATOM 0 H GLU A 33 1.907 1.781 7.712 1.00 0.00 H new ATOM 0 HA GLU A 33 0.365 2.185 10.076 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.204 1.843 9.325 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.945 2.850 10.736 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.278 0.386 10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.002 0.081 10.757 1.00 0.00 H new ATOM 475 N ALA A 34 1.726 4.775 8.607 1.00 0.00 N ATOM 476 CA ALA A 34 1.739 6.227 8.563 1.00 0.00 C ATOM 477 C ALA A 34 0.411 6.727 7.989 1.00 0.00 C ATOM 478 O ALA A 34 0.153 7.929 7.969 1.00 0.00 O ATOM 479 CB ALA A 34 2.943 6.703 7.747 1.00 0.00 C ATOM 0 H ALA A 34 2.210 4.321 7.833 1.00 0.00 H new ATOM 0 HA ALA A 34 1.842 6.640 9.566 1.00 0.00 H new ATOM 0 HB1 ALA A 34 2.952 7.792 7.714 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.862 6.346 8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 34 2.873 6.310 6.733 1.00 0.00 H new ATOM 485 N GLN A 35 -0.395 5.779 7.536 1.00 0.00 N ATOM 486 CA GLN A 35 -1.690 6.108 6.963 1.00 0.00 C ATOM 487 C GLN A 35 -2.815 5.627 7.882 1.00 0.00 C ATOM 488 O GLN A 35 -3.792 5.042 7.419 1.00 0.00 O ATOM 489 CB GLN A 35 -1.836 5.513 5.561 1.00 0.00 C ATOM 490 CG GLN A 35 -0.838 6.147 4.590 1.00 0.00 C ATOM 491 CD GLN A 35 -1.237 7.585 4.254 1.00 0.00 C ATOM 492 OE1 GLN A 35 -2.404 7.938 4.207 1.00 0.00 O ATOM 493 NE2 GLN A 35 -0.206 8.393 4.024 1.00 0.00 N ATOM 0 H GLN A 35 -0.177 4.783 7.554 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.760 7.192 6.872 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.676 4.436 5.601 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -2.852 5.671 5.199 1.00 0.00 H new ATOM 0 HG2 GLN A 35 0.159 6.136 5.030 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -0.790 5.556 3.675 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.747 8.033 4.080 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.368 9.373 3.792 1.00 0.00 H new ATOM 502 N ARG A 36 -2.638 5.892 9.169 1.00 0.00 N ATOM 503 CA ARG A 36 -3.627 5.494 10.157 1.00 0.00 C ATOM 504 C ARG A 36 -4.189 4.112 9.818 1.00 0.00 C ATOM 505 O ARG A 36 -5.339 3.812 10.134 1.00 0.00 O ATOM 506 CB ARG A 36 -4.775 6.502 10.224 1.00 0.00 C ATOM 507 CG ARG A 36 -4.332 7.794 10.914 1.00 0.00 C ATOM 508 CD ARG A 36 -4.913 7.889 12.326 1.00 0.00 C ATOM 509 NE ARG A 36 -4.251 8.980 13.074 1.00 0.00 N ATOM 510 CZ ARG A 36 -3.094 8.843 13.737 1.00 0.00 C ATOM 511 NH1 ARG A 36 -2.465 7.660 13.748 1.00 0.00 N ATOM 512 NH2 ARG A 36 -2.566 9.889 14.388 1.00 0.00 N ATOM 0 H ARG A 36 -1.825 6.377 9.550 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.132 5.460 11.127 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.126 6.726 9.217 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.615 6.066 10.765 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.244 7.830 10.962 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.654 8.653 10.326 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.986 8.071 12.275 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.775 6.943 12.849 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.703 9.894 13.086 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.867 6.864 13.252 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -1.585 7.555 14.252 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.045 10.790 14.379 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -1.686 9.784 14.892 1.00 0.00 H new ATOM 526 N GLY A 37 -3.352 3.308 9.180 1.00 0.00 N ATOM 527 CA GLY A 37 -3.751 1.965 8.795 1.00 0.00 C ATOM 528 C GLY A 37 -4.896 2.003 7.780 1.00 0.00 C ATOM 529 O GLY A 37 -5.899 1.311 7.944 1.00 0.00 O ATOM 0 H GLY A 37 -2.399 3.561 8.920 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.899 1.437 8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.061 1.407 9.678 1.00 0.00 H new ATOM 533 N ASN A 38 -4.707 2.819 6.753 1.00 0.00 N ATOM 534 CA ASN A 38 -5.711 2.956 5.712 1.00 0.00 C ATOM 535 C ASN A 38 -5.120 2.498 4.377 1.00 0.00 C ATOM 536 O ASN A 38 -4.450 3.270 3.693 1.00 0.00 O ATOM 537 CB ASN A 38 -6.150 4.414 5.559 1.00 0.00 C ATOM 538 CG ASN A 38 -7.675 4.534 5.603 1.00 0.00 C ATOM 539 OD1 ASN A 38 -8.275 4.775 6.637 1.00 0.00 O ATOM 540 ND2 ASN A 38 -8.265 4.354 4.425 1.00 0.00 N ATOM 0 H ASN A 38 -3.874 3.392 6.620 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.571 2.347 5.991 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -5.711 5.015 6.355 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.777 4.813 4.616 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -9.280 4.415 4.349 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.702 4.155 3.598 1.00 0.00 H new ATOM 547 N LYS A 39 -5.391 1.244 4.046 1.00 0.00 N ATOM 548 CA LYS A 39 -4.895 0.675 2.805 1.00 0.00 C ATOM 549 C LYS A 39 -5.103 1.678 1.669 1.00 0.00 C ATOM 550 O LYS A 39 -4.147 2.077 1.005 1.00 0.00 O ATOM 551 CB LYS A 39 -5.539 -0.689 2.546 1.00 0.00 C ATOM 552 CG LYS A 39 -5.165 -1.218 1.160 1.00 0.00 C ATOM 553 CD LYS A 39 -6.397 -1.751 0.426 1.00 0.00 C ATOM 554 CE LYS A 39 -6.067 -3.034 -0.340 1.00 0.00 C ATOM 555 NZ LYS A 39 -6.730 -3.033 -1.663 1.00 0.00 N ATOM 0 H LYS A 39 -5.947 0.606 4.616 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.823 0.489 2.874 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -5.217 -1.398 3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.623 -0.605 2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.705 -0.422 0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.424 -2.011 1.257 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.195 -1.946 1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.768 -0.995 -0.266 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.988 -3.121 -0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -6.391 -3.901 0.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.625 -3.559 -1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.922 -2.053 -1.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.109 -3.486 -2.363 1.00 0.00 H new ATOM 569 N ASP A 40 -6.358 2.057 1.479 1.00 0.00 N ATOM 570 CA ASP A 40 -6.704 3.006 0.435 1.00 0.00 C ATOM 571 C ASP A 40 -5.688 4.150 0.435 1.00 0.00 C ATOM 572 O ASP A 40 -4.992 4.367 -0.556 1.00 0.00 O ATOM 573 CB ASP A 40 -8.091 3.606 0.673 1.00 0.00 C ATOM 574 CG ASP A 40 -9.234 2.902 -0.061 1.00 0.00 C ATOM 575 OD1 ASP A 40 -8.953 2.335 -1.139 1.00 0.00 O ATOM 576 OD2 ASP A 40 -10.364 2.947 0.473 1.00 0.00 O ATOM 0 H ASP A 40 -7.148 1.724 2.031 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.699 2.476 -0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -8.300 3.587 1.743 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.075 4.653 0.370 1.00 0.00 H new ATOM 581 N ALA A 41 -5.635 4.852 1.557 1.00 0.00 N ATOM 582 CA ALA A 41 -4.716 5.969 1.699 1.00 0.00 C ATOM 583 C ALA A 41 -3.306 5.515 1.315 1.00 0.00 C ATOM 584 O ALA A 41 -2.607 6.206 0.577 1.00 0.00 O ATOM 585 CB ALA A 41 -4.785 6.509 3.129 1.00 0.00 C ATOM 0 H ALA A 41 -6.214 4.669 2.377 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.995 6.783 1.030 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.096 7.347 3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.800 6.845 3.343 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.509 5.721 3.829 1.00 0.00 H new ATOM 591 N ALA A 42 -2.930 4.355 1.835 1.00 0.00 N ATOM 592 CA ALA A 42 -1.617 3.801 1.555 1.00 0.00 C ATOM 593 C ALA A 42 -1.452 3.627 0.044 1.00 0.00 C ATOM 594 O ALA A 42 -0.588 4.255 -0.566 1.00 0.00 O ATOM 595 CB ALA A 42 -1.446 2.484 2.316 1.00 0.00 C ATOM 0 H ALA A 42 -3.512 3.784 2.448 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.834 4.479 1.895 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.461 2.068 2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.542 2.667 3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.213 1.778 1.998 1.00 0.00 H new ATOM 601 N ILE A 43 -2.294 2.771 -0.516 1.00 0.00 N ATOM 602 CA ILE A 43 -2.252 2.507 -1.944 1.00 0.00 C ATOM 603 C ILE A 43 -2.010 3.818 -2.694 1.00 0.00 C ATOM 604 O ILE A 43 -1.092 3.912 -3.507 1.00 0.00 O ATOM 605 CB ILE A 43 -3.516 1.768 -2.389 1.00 0.00 C ATOM 606 CG1 ILE A 43 -3.486 0.307 -1.934 1.00 0.00 C ATOM 607 CG2 ILE A 43 -3.721 1.894 -3.900 1.00 0.00 C ATOM 608 CD1 ILE A 43 -4.854 -0.352 -2.119 1.00 0.00 C ATOM 0 H ILE A 43 -3.009 2.252 -0.007 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.421 1.844 -2.185 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.374 2.237 -1.907 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.735 -0.240 -2.504 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.192 0.255 -0.886 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.626 1.360 -4.190 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.819 2.946 -4.167 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.864 1.466 -4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.806 -1.390 -1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.598 0.183 -1.529 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.134 -0.319 -3.172 1.00 0.00 H new ATOM 620 N ASN A 44 -2.850 4.798 -2.395 1.00 0.00 N ATOM 621 CA ASN A 44 -2.738 6.100 -3.031 1.00 0.00 C ATOM 622 C ASN A 44 -1.357 6.689 -2.739 1.00 0.00 C ATOM 623 O ASN A 44 -0.696 7.207 -3.638 1.00 0.00 O ATOM 624 CB ASN A 44 -3.790 7.069 -2.488 1.00 0.00 C ATOM 625 CG ASN A 44 -3.612 8.464 -3.091 1.00 0.00 C ATOM 626 OD1 ASN A 44 -2.614 8.774 -3.721 1.00 0.00 O ATOM 627 ND2 ASN A 44 -4.633 9.286 -2.864 1.00 0.00 N ATOM 0 H ASN A 44 -3.611 4.717 -1.721 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.889 5.966 -4.102 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.788 6.694 -2.717 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.712 7.125 -1.402 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.610 10.240 -3.225 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.439 8.963 -2.329 1.00 0.00 H new ATOM 634 N SER A 45 -0.961 6.589 -1.478 1.00 0.00 N ATOM 635 CA SER A 45 0.330 7.106 -1.056 1.00 0.00 C ATOM 636 C SER A 45 1.450 6.419 -1.840 1.00 0.00 C ATOM 637 O SER A 45 2.312 7.085 -2.411 1.00 0.00 O ATOM 638 CB SER A 45 0.537 6.910 0.447 1.00 0.00 C ATOM 639 OG SER A 45 1.486 7.830 0.979 1.00 0.00 O ATOM 0 H SER A 45 -1.511 6.158 -0.735 1.00 0.00 H new ATOM 0 HA SER A 45 0.354 8.176 -1.262 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.415 7.032 0.963 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.874 5.891 0.637 1.00 0.00 H new ATOM 0 HG SER A 45 1.589 7.674 1.941 1.00 0.00 H new ATOM 645 N LEU A 46 1.401 5.095 -1.843 1.00 0.00 N ATOM 646 CA LEU A 46 2.401 4.310 -2.547 1.00 0.00 C ATOM 647 C LEU A 46 2.403 4.704 -4.026 1.00 0.00 C ATOM 648 O LEU A 46 3.456 4.992 -4.593 1.00 0.00 O ATOM 649 CB LEU A 46 2.174 2.816 -2.310 1.00 0.00 C ATOM 650 CG LEU A 46 2.435 2.316 -0.887 1.00 0.00 C ATOM 651 CD1 LEU A 46 1.411 1.254 -0.483 1.00 0.00 C ATOM 652 CD2 LEU A 46 3.872 1.813 -0.738 1.00 0.00 C ATOM 0 H LEU A 46 0.684 4.546 -1.369 1.00 0.00 H new ATOM 0 HA LEU A 46 3.396 4.523 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.143 2.579 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.815 2.258 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 46 2.315 3.156 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.619 0.916 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.409 1.680 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.475 0.408 -1.168 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.031 1.464 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.044 0.992 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.566 2.625 -0.956 1.00 0.00 H new ATOM 664 N LEU A 47 1.212 4.705 -4.607 1.00 0.00 N ATOM 665 CA LEU A 47 1.064 5.059 -6.008 1.00 0.00 C ATOM 666 C LEU A 47 1.916 6.293 -6.311 1.00 0.00 C ATOM 667 O LEU A 47 2.814 6.242 -7.150 1.00 0.00 O ATOM 668 CB LEU A 47 -0.414 5.230 -6.364 1.00 0.00 C ATOM 669 CG LEU A 47 -0.990 4.208 -7.347 1.00 0.00 C ATOM 670 CD1 LEU A 47 -2.403 4.601 -7.781 1.00 0.00 C ATOM 671 CD2 LEU A 47 -0.056 4.012 -8.544 1.00 0.00 C ATOM 0 H LEU A 47 0.341 4.466 -4.133 1.00 0.00 H new ATOM 0 HA LEU A 47 1.431 4.254 -6.645 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.996 5.187 -5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.553 6.226 -6.783 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.065 3.248 -6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.789 3.858 -8.479 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.052 4.649 -6.907 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.376 5.576 -8.267 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.489 3.281 -9.227 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.074 4.961 -9.063 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.912 3.654 -8.195 1.00 0.00 H new ATOM 683 N GLN A 48 1.604 7.374 -5.611 1.00 0.00 N ATOM 684 CA GLN A 48 2.330 8.620 -5.795 1.00 0.00 C ATOM 685 C GLN A 48 3.812 8.424 -5.466 1.00 0.00 C ATOM 686 O GLN A 48 4.675 8.676 -6.305 1.00 0.00 O ATOM 687 CB GLN A 48 1.723 9.738 -4.945 1.00 0.00 C ATOM 688 CG GLN A 48 1.094 10.817 -5.828 1.00 0.00 C ATOM 689 CD GLN A 48 1.228 12.199 -5.185 1.00 0.00 C ATOM 690 OE1 GLN A 48 0.935 12.400 -4.018 1.00 0.00 O ATOM 691 NE2 GLN A 48 1.687 13.137 -6.009 1.00 0.00 N ATOM 0 H GLN A 48 0.859 7.413 -4.916 1.00 0.00 H new ATOM 0 HA GLN A 48 2.246 8.917 -6.841 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.968 9.323 -4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.495 10.182 -4.316 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.576 10.819 -6.806 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.041 10.589 -5.992 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.913 12.901 -6.975 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.813 14.092 -5.675 1.00 0.00 H new ATOM 700 N MET A 49 4.060 7.976 -4.244 1.00 0.00 N ATOM 701 CA MET A 49 5.422 7.744 -3.795 1.00 0.00 C ATOM 702 C MET A 49 6.230 6.998 -4.858 1.00 0.00 C ATOM 703 O MET A 49 5.745 6.035 -5.450 1.00 0.00 O ATOM 704 CB MET A 49 5.401 6.926 -2.502 1.00 0.00 C ATOM 705 CG MET A 49 4.895 7.767 -1.329 1.00 0.00 C ATOM 706 SD MET A 49 6.256 8.205 -0.260 1.00 0.00 S ATOM 707 CE MET A 49 6.750 6.581 0.293 1.00 0.00 C ATOM 0 H MET A 49 3.341 7.768 -3.551 1.00 0.00 H new ATOM 0 HA MET A 49 5.895 8.710 -3.617 1.00 0.00 H new ATOM 0 HB2 MET A 49 4.762 6.053 -2.630 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.404 6.558 -2.284 1.00 0.00 H new ATOM 0 HG2 MET A 49 4.409 8.669 -1.701 1.00 0.00 H new ATOM 0 HG3 MET A 49 4.146 7.209 -0.767 1.00 0.00 H new ATOM 0 HE1 MET A 49 7.056 6.630 1.338 1.00 0.00 H new ATOM 0 HE2 MET A 49 5.912 5.892 0.192 1.00 0.00 H new ATOM 0 HE3 MET A 49 7.584 6.228 -0.313 1.00 0.00 H new ATOM 717 N GLY A 50 7.450 7.471 -5.068 1.00 0.00 N ATOM 718 CA GLY A 50 8.331 6.861 -6.050 1.00 0.00 C ATOM 719 C GLY A 50 8.052 7.408 -7.452 1.00 0.00 C ATOM 720 O GLY A 50 7.503 8.499 -7.598 1.00 0.00 O ATOM 0 H GLY A 50 7.849 8.270 -4.575 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.370 7.053 -5.781 1.00 0.00 H new ATOM 0 HA3 GLY A 50 8.195 5.780 -6.044 1.00 0.00 H new ATOM 724 N GLU A 51 8.442 6.624 -8.446 1.00 0.00 N ATOM 725 CA GLU A 51 8.241 7.016 -9.831 1.00 0.00 C ATOM 726 C GLU A 51 7.776 5.817 -10.660 1.00 0.00 C ATOM 727 O GLU A 51 8.449 4.788 -10.700 1.00 0.00 O ATOM 728 CB GLU A 51 9.514 7.628 -10.418 1.00 0.00 C ATOM 729 CG GLU A 51 10.619 6.578 -10.544 1.00 0.00 C ATOM 730 CD GLU A 51 11.989 7.183 -10.227 1.00 0.00 C ATOM 731 OE1 GLU A 51 12.616 7.697 -11.178 1.00 0.00 O ATOM 732 OE2 GLU A 51 12.377 7.117 -9.041 1.00 0.00 O ATOM 0 H GLU A 51 8.896 5.719 -8.320 1.00 0.00 H new ATOM 0 HA GLU A 51 7.463 7.779 -9.863 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.299 8.054 -11.398 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.855 8.446 -9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 51 10.417 5.749 -9.865 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.623 6.169 -11.554 1.00 0.00 H new ATOM 739 N GLU A 52 6.630 5.990 -11.301 1.00 0.00 N ATOM 740 CA GLU A 52 6.068 4.934 -12.127 1.00 0.00 C ATOM 741 C GLU A 52 6.430 5.161 -13.596 1.00 0.00 C ATOM 742 O GLU A 52 6.609 6.299 -14.027 1.00 0.00 O ATOM 743 CB GLU A 52 4.552 4.844 -11.943 1.00 0.00 C ATOM 744 CG GLU A 52 4.185 3.747 -10.942 1.00 0.00 C ATOM 745 CD GLU A 52 2.826 3.130 -11.277 1.00 0.00 C ATOM 746 OE1 GLU A 52 1.973 3.884 -11.793 1.00 0.00 O ATOM 747 OE2 GLU A 52 2.670 1.919 -11.008 1.00 0.00 O ATOM 0 H GLU A 52 6.075 6.845 -11.266 1.00 0.00 H new ATOM 0 HA GLU A 52 6.497 3.983 -11.810 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.167 5.802 -11.595 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.077 4.639 -12.903 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.952 2.972 -10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.161 4.162 -9.935 1.00 0.00 H new ATOM 754 N PRO A 53 6.529 4.029 -14.344 1.00 0.00 N ATOM 755 CA PRO A 53 6.866 4.093 -15.756 1.00 0.00 C ATOM 756 C PRO A 53 5.674 4.577 -16.584 1.00 0.00 C ATOM 757 O PRO A 53 4.760 3.806 -16.873 1.00 0.00 O ATOM 758 CB PRO A 53 7.308 2.684 -16.119 1.00 0.00 C ATOM 759 CG PRO A 53 6.763 1.782 -15.024 1.00 0.00 C ATOM 760 CD PRO A 53 6.323 2.665 -13.868 1.00 0.00 C ATOM 0 HA PRO A 53 7.658 4.812 -15.967 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.920 2.392 -17.095 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.395 2.618 -16.175 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.924 1.194 -15.396 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.526 1.076 -14.696 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.279 2.489 -13.611 1.00 0.00 H new ATOM 0 HD3 PRO A 53 6.910 2.466 -12.972 1.00 0.00 H new ATOM 768 N SER A 54 5.721 5.852 -16.941 1.00 0.00 N ATOM 769 CA SER A 54 4.656 6.448 -17.730 1.00 0.00 C ATOM 770 C SER A 54 4.450 5.650 -19.019 1.00 0.00 C ATOM 771 O SER A 54 5.318 4.876 -19.420 1.00 0.00 O ATOM 772 CB SER A 54 4.964 7.911 -18.054 1.00 0.00 C ATOM 773 OG SER A 54 5.225 8.675 -16.880 1.00 0.00 O ATOM 0 H SER A 54 6.480 6.489 -16.698 1.00 0.00 H new ATOM 0 HA SER A 54 3.738 6.420 -17.143 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.827 7.961 -18.718 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.122 8.348 -18.591 1.00 0.00 H new ATOM 0 HG SER A 54 5.419 9.603 -17.130 1.00 0.00 H new ATOM 779 N GLY A 55 3.296 5.867 -19.633 1.00 0.00 N ATOM 780 CA GLY A 55 2.965 5.178 -20.868 1.00 0.00 C ATOM 781 C GLY A 55 1.451 5.018 -21.018 1.00 0.00 C ATOM 782 O GLY A 55 0.681 5.773 -20.427 1.00 0.00 O ATOM 0 H GLY A 55 2.579 6.510 -19.298 1.00 0.00 H new ATOM 0 HA2 GLY A 55 3.361 5.735 -21.717 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.441 4.197 -20.880 1.00 0.00 H new ATOM 786 N PRO A 56 1.058 4.003 -21.834 1.00 0.00 N ATOM 787 CA PRO A 56 -0.350 3.734 -22.069 1.00 0.00 C ATOM 788 C PRO A 56 -0.989 3.053 -20.857 1.00 0.00 C ATOM 789 O PRO A 56 -0.378 2.184 -20.236 1.00 0.00 O ATOM 790 CB PRO A 56 -0.383 2.872 -23.321 1.00 0.00 C ATOM 791 CG PRO A 56 1.020 2.305 -23.473 1.00 0.00 C ATOM 792 CD PRO A 56 1.941 3.088 -22.552 1.00 0.00 C ATOM 0 HA PRO A 56 -0.933 4.644 -22.213 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -1.119 2.074 -23.226 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.663 3.462 -24.194 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.034 1.246 -23.216 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.355 2.387 -24.507 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.469 2.427 -21.865 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.698 3.631 -23.118 1.00 0.00 H new ATOM 800 N SER A 57 -2.209 3.473 -20.557 1.00 0.00 N ATOM 801 CA SER A 57 -2.936 2.914 -19.430 1.00 0.00 C ATOM 802 C SER A 57 -4.391 2.650 -19.825 1.00 0.00 C ATOM 803 O SER A 57 -5.081 3.549 -20.303 1.00 0.00 O ATOM 804 CB SER A 57 -2.876 3.846 -18.219 1.00 0.00 C ATOM 805 OG SER A 57 -3.333 5.159 -18.532 1.00 0.00 O ATOM 0 H SER A 57 -2.712 4.194 -21.075 1.00 0.00 H new ATOM 0 HA SER A 57 -2.464 1.971 -19.153 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.483 3.433 -17.414 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.851 3.897 -17.851 1.00 0.00 H new ATOM 0 HG SER A 57 -4.098 5.102 -19.143 1.00 0.00 H new ATOM 811 N SER A 58 -4.813 1.412 -19.611 1.00 0.00 N ATOM 812 CA SER A 58 -6.173 1.019 -19.939 1.00 0.00 C ATOM 813 C SER A 58 -6.780 0.220 -18.784 1.00 0.00 C ATOM 814 O SER A 58 -7.806 0.608 -18.227 1.00 0.00 O ATOM 815 CB SER A 58 -6.213 0.199 -21.230 1.00 0.00 C ATOM 816 OG SER A 58 -7.544 0.021 -21.708 1.00 0.00 O ATOM 0 H SER A 58 -4.238 0.669 -19.215 1.00 0.00 H new ATOM 0 HA SER A 58 -6.762 1.923 -20.096 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.617 0.697 -21.995 1.00 0.00 H new ATOM 0 HB3 SER A 58 -5.757 -0.776 -21.055 1.00 0.00 H new ATOM 0 HG SER A 58 -7.527 -0.506 -22.534 1.00 0.00 H new ATOM 822 N GLY A 59 -6.120 -0.881 -18.457 1.00 0.00 N ATOM 823 CA GLY A 59 -6.581 -1.738 -17.378 1.00 0.00 C ATOM 824 C GLY A 59 -7.648 -2.717 -17.873 1.00 0.00 C ATOM 825 O GLY A 59 -8.686 -2.302 -18.385 1.00 0.00 O ATOM 0 H GLY A 59 -5.269 -1.200 -18.921 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.739 -2.292 -16.963 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.988 -1.127 -16.572 1.00 0.00 H new TER 829 GLY A 59