USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 462 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 19 GLN : amide:sc= -0.178 K(o=0.79,f=-1.5) USER MOD Set 1.2: A 43 ASN : amide:sc= 0.969 K(o=0.79,f=-0.94) USER MOD Set 2.1: A 1 LEU N :NH3+ 154:sc= -0.0671 (180deg=-0.677) USER MOD Set 2.2: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.462 K(o=-0.46,f=-4!) USER MOD Single : A 16 ASN : amide:sc= -0.135 X(o=-0.13,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -18:sc= -6.33! USER MOD Single : A 32 SER OG : rot 180:sc=-0.00774 USER MOD Single : A 33 ASN : amide:sc= -0.0547 K(o=-0.055,f=-2.1!) USER MOD Single : A 42 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.13) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= -1.6! USER MOD Single : A 51 SER OG : rot 75:sc= -0.784 USER MOD Single : A 52 ASN : amide:sc= -4.94 X(o=-4.9,f=-4.9!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.046 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 41.299 51.565 -33.659 1.00 0.00 N ATOM 2 CA LEU A 1 42.552 52.363 -33.772 1.00 0.00 C ATOM 3 C LEU A 1 42.861 52.625 -35.248 1.00 0.00 C ATOM 4 O LEU A 1 44.002 52.779 -35.636 1.00 0.00 O ATOM 5 CB LEU A 1 43.710 51.588 -33.140 1.00 0.00 C ATOM 6 CG LEU A 1 43.963 50.310 -33.939 1.00 0.00 C ATOM 7 CD1 LEU A 1 45.351 50.374 -34.580 1.00 0.00 C ATOM 8 CD2 LEU A 1 43.890 49.101 -33.003 1.00 0.00 C ATOM 0 H1 LEU A 1 41.311 51.024 -32.771 1.00 0.00 H new ATOM 0 H2 LEU A 1 40.479 52.204 -33.664 1.00 0.00 H new ATOM 0 H3 LEU A 1 41.231 50.909 -34.463 1.00 0.00 H new ATOM 0 HA LEU A 1 42.424 53.313 -33.253 1.00 0.00 H new ATOM 0 HB2 LEU A 1 44.609 52.204 -33.125 1.00 0.00 H new ATOM 0 HB3 LEU A 1 43.475 51.342 -32.105 1.00 0.00 H new ATOM 0 HG LEU A 1 43.207 50.214 -34.718 1.00 0.00 H new ATOM 0 HD11 LEU A 1 45.531 49.462 -35.150 1.00 0.00 H new ATOM 0 HD12 LEU A 1 45.405 51.235 -35.246 1.00 0.00 H new ATOM 0 HD13 LEU A 1 46.107 50.470 -33.801 1.00 0.00 H new ATOM 0 HD21 LEU A 1 44.070 48.189 -33.572 1.00 0.00 H new ATOM 0 HD22 LEU A 1 44.646 49.198 -32.224 1.00 0.00 H new ATOM 0 HD23 LEU A 1 42.902 49.054 -32.546 1.00 0.00 H new ATOM 22 N LYS A 2 41.852 52.676 -36.075 1.00 0.00 N ATOM 23 CA LYS A 2 42.090 52.927 -37.523 1.00 0.00 C ATOM 24 C LYS A 2 40.870 53.619 -38.134 1.00 0.00 C ATOM 25 O LYS A 2 40.386 53.233 -39.179 1.00 0.00 O ATOM 26 CB LYS A 2 42.331 51.596 -38.239 1.00 0.00 C ATOM 27 CG LYS A 2 41.422 50.521 -37.639 1.00 0.00 C ATOM 28 CD LYS A 2 41.545 49.235 -38.458 1.00 0.00 C ATOM 29 CE LYS A 2 40.197 48.908 -39.102 1.00 0.00 C ATOM 30 NZ LYS A 2 40.349 47.727 -39.998 1.00 0.00 N ATOM 0 H LYS A 2 40.875 52.555 -35.810 1.00 0.00 H new ATOM 0 HA LYS A 2 42.964 53.568 -37.638 1.00 0.00 H new ATOM 0 HB2 LYS A 2 42.131 51.703 -39.305 1.00 0.00 H new ATOM 0 HB3 LYS A 2 43.376 51.301 -38.139 1.00 0.00 H new ATOM 0 HG2 LYS A 2 41.699 50.332 -36.602 1.00 0.00 H new ATOM 0 HG3 LYS A 2 40.388 50.865 -37.635 1.00 0.00 H new ATOM 0 HD2 LYS A 2 42.308 49.353 -39.227 1.00 0.00 H new ATOM 0 HD3 LYS A 2 41.863 48.412 -37.817 1.00 0.00 H new ATOM 0 HE2 LYS A 2 39.454 48.700 -38.332 1.00 0.00 H new ATOM 0 HE3 LYS A 2 39.836 49.765 -39.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 39.433 47.504 -40.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 41.045 47.942 -40.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 40.675 46.910 -39.443 1.00 0.00 H new ATOM 44 N LYS A 3 40.368 54.640 -37.493 1.00 0.00 N ATOM 45 CA LYS A 3 39.182 55.353 -38.045 1.00 0.00 C ATOM 46 C LYS A 3 39.134 56.783 -37.497 1.00 0.00 C ATOM 47 O LYS A 3 38.081 57.294 -37.178 1.00 0.00 O ATOM 48 CB LYS A 3 37.905 54.605 -37.650 1.00 0.00 C ATOM 49 CG LYS A 3 37.563 54.895 -36.186 1.00 0.00 C ATOM 50 CD LYS A 3 36.796 53.711 -35.596 1.00 0.00 C ATOM 51 CE LYS A 3 37.714 52.923 -34.662 1.00 0.00 C ATOM 52 NZ LYS A 3 37.941 51.561 -35.222 1.00 0.00 N ATOM 0 H LYS A 3 40.727 55.010 -36.613 1.00 0.00 H new ATOM 0 HA LYS A 3 39.258 55.390 -39.132 1.00 0.00 H new ATOM 0 HB2 LYS A 3 37.080 54.912 -38.293 1.00 0.00 H new ATOM 0 HB3 LYS A 3 38.041 53.533 -37.795 1.00 0.00 H new ATOM 0 HG2 LYS A 3 38.476 55.071 -35.616 1.00 0.00 H new ATOM 0 HG3 LYS A 3 36.963 55.802 -36.115 1.00 0.00 H new ATOM 0 HD2 LYS A 3 35.922 54.066 -35.050 1.00 0.00 H new ATOM 0 HD3 LYS A 3 36.432 53.065 -36.395 1.00 0.00 H new ATOM 0 HE2 LYS A 3 38.665 53.443 -34.545 1.00 0.00 H new ATOM 0 HE3 LYS A 3 37.267 52.850 -33.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 38.566 51.024 -34.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 37.031 51.066 -35.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 38.386 51.640 -36.159 1.00 0.00 H new ATOM 66 N VAL A 4 40.261 57.433 -37.400 1.00 0.00 N ATOM 67 CA VAL A 4 40.275 58.835 -36.881 1.00 0.00 C ATOM 68 C VAL A 4 39.186 59.628 -37.615 1.00 0.00 C ATOM 69 O VAL A 4 39.159 59.673 -38.826 1.00 0.00 O ATOM 70 CB VAL A 4 41.652 59.446 -37.140 1.00 0.00 C ATOM 71 CG1 VAL A 4 41.848 59.644 -38.639 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.760 60.793 -36.433 1.00 0.00 C ATOM 0 H VAL A 4 41.174 57.056 -37.657 1.00 0.00 H new ATOM 0 HA VAL A 4 40.079 58.858 -35.809 1.00 0.00 H new ATOM 0 HB VAL A 4 42.420 58.774 -36.757 1.00 0.00 H new ATOM 0 HG11 VAL A 4 42.830 60.080 -38.823 1.00 0.00 H new ATOM 0 HG12 VAL A 4 41.777 58.681 -39.145 1.00 0.00 H new ATOM 0 HG13 VAL A 4 41.077 60.313 -39.022 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.743 61.225 -36.621 1.00 0.00 H new ATOM 0 HG22 VAL A 4 40.990 61.465 -36.812 1.00 0.00 H new ATOM 0 HG23 VAL A 4 41.624 60.653 -35.361 1.00 0.00 H new ATOM 82 N VAL A 5 38.260 60.214 -36.902 1.00 0.00 N ATOM 83 CA VAL A 5 37.154 60.942 -37.582 1.00 0.00 C ATOM 84 C VAL A 5 37.488 62.414 -37.828 1.00 0.00 C ATOM 85 O VAL A 5 37.783 63.150 -36.918 1.00 0.00 O ATOM 86 CB VAL A 5 35.886 60.797 -36.737 1.00 0.00 C ATOM 87 CG1 VAL A 5 35.301 62.167 -36.363 1.00 0.00 C ATOM 88 CG2 VAL A 5 34.870 60.010 -37.552 1.00 0.00 C ATOM 0 H VAL A 5 38.223 60.219 -35.883 1.00 0.00 H new ATOM 0 HA VAL A 5 36.999 60.502 -38.567 1.00 0.00 H new ATOM 0 HB VAL A 5 36.128 60.280 -35.808 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.402 62.027 -35.763 1.00 0.00 H new ATOM 0 HG12 VAL A 5 36.036 62.732 -35.789 1.00 0.00 H new ATOM 0 HG13 VAL A 5 35.050 62.716 -37.271 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.954 59.891 -36.974 1.00 0.00 H new ATOM 0 HG22 VAL A 5 34.650 60.547 -38.475 1.00 0.00 H new ATOM 0 HG23 VAL A 5 35.278 59.028 -37.792 1.00 0.00 H new ATOM 98 N ALA A 6 37.391 62.848 -39.053 1.00 0.00 N ATOM 99 CA ALA A 6 37.666 64.276 -39.368 1.00 0.00 C ATOM 100 C ALA A 6 36.900 65.185 -38.406 1.00 0.00 C ATOM 101 O ALA A 6 36.192 64.731 -37.530 1.00 0.00 O ATOM 102 CB ALA A 6 37.204 64.577 -40.792 1.00 0.00 C ATOM 0 H ALA A 6 37.132 62.271 -39.853 1.00 0.00 H new ATOM 0 HA ALA A 6 38.736 64.458 -39.269 1.00 0.00 H new ATOM 0 HB1 ALA A 6 37.404 65.623 -41.026 1.00 0.00 H new ATOM 0 HB2 ALA A 6 37.743 63.939 -41.492 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.134 64.385 -40.876 1.00 0.00 H new ATOM 108 N LEU A 7 37.041 66.471 -38.573 1.00 0.00 N ATOM 109 CA LEU A 7 36.333 67.425 -37.684 1.00 0.00 C ATOM 110 C LEU A 7 36.174 68.762 -38.406 1.00 0.00 C ATOM 111 O LEU A 7 35.090 69.300 -38.512 1.00 0.00 O ATOM 112 CB LEU A 7 37.165 67.631 -36.423 1.00 0.00 C ATOM 113 CG LEU A 7 36.258 67.702 -35.200 1.00 0.00 C ATOM 114 CD1 LEU A 7 35.478 69.018 -35.217 1.00 0.00 C ATOM 115 CD2 LEU A 7 35.281 66.523 -35.203 1.00 0.00 C ATOM 0 H LEU A 7 37.621 66.902 -39.293 1.00 0.00 H new ATOM 0 HA LEU A 7 35.350 67.032 -37.422 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.876 66.813 -36.310 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.746 68.549 -36.508 1.00 0.00 H new ATOM 0 HG LEU A 7 36.869 67.654 -34.299 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.830 69.068 -34.342 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.176 69.855 -35.200 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.872 69.070 -36.121 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.637 66.582 -34.326 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.670 66.559 -36.105 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.840 65.587 -35.181 1.00 0.00 H new ATOM 127 N TYR A 8 37.252 69.301 -38.905 1.00 0.00 N ATOM 128 CA TYR A 8 37.173 70.602 -39.620 1.00 0.00 C ATOM 129 C TYR A 8 37.654 70.418 -41.062 1.00 0.00 C ATOM 130 O TYR A 8 38.678 69.815 -41.313 1.00 0.00 O ATOM 131 CB TYR A 8 38.051 71.625 -38.901 1.00 0.00 C ATOM 132 CG TYR A 8 37.677 71.663 -37.437 1.00 0.00 C ATOM 133 CD1 TYR A 8 36.359 71.945 -37.057 1.00 0.00 C ATOM 134 CD2 TYR A 8 38.648 71.415 -36.457 1.00 0.00 C ATOM 135 CE1 TYR A 8 36.013 71.981 -35.702 1.00 0.00 C ATOM 136 CE2 TYR A 8 38.301 71.452 -35.101 1.00 0.00 C ATOM 137 CZ TYR A 8 36.984 71.736 -34.724 1.00 0.00 C ATOM 138 OH TYR A 8 36.642 71.772 -33.387 1.00 0.00 O ATOM 0 H TYR A 8 38.186 68.894 -38.847 1.00 0.00 H new ATOM 0 HA TYR A 8 36.143 70.958 -39.631 1.00 0.00 H new ATOM 0 HB2 TYR A 8 39.103 71.361 -39.013 1.00 0.00 H new ATOM 0 HB3 TYR A 8 37.921 72.611 -39.347 1.00 0.00 H new ATOM 0 HD1 TYR A 8 35.609 72.135 -37.811 1.00 0.00 H new ATOM 0 HD2 TYR A 8 39.665 71.195 -36.748 1.00 0.00 H new ATOM 0 HE1 TYR A 8 34.996 72.198 -35.410 1.00 0.00 H new ATOM 0 HE2 TYR A 8 39.050 71.261 -34.346 1.00 0.00 H new ATOM 0 HH TYR A 8 37.433 71.579 -32.842 1.00 0.00 H new ATOM 148 N ASP A 9 36.917 70.927 -42.010 1.00 0.00 N ATOM 149 CA ASP A 9 37.321 70.776 -43.437 1.00 0.00 C ATOM 150 C ASP A 9 38.786 71.180 -43.612 1.00 0.00 C ATOM 151 O ASP A 9 39.194 72.260 -43.233 1.00 0.00 O ATOM 152 CB ASP A 9 36.440 71.671 -44.312 1.00 0.00 C ATOM 153 CG ASP A 9 36.995 71.693 -45.738 1.00 0.00 C ATOM 154 OD1 ASP A 9 36.934 70.665 -46.392 1.00 0.00 O ATOM 155 OD2 ASP A 9 37.470 72.738 -46.151 1.00 0.00 O ATOM 0 H ASP A 9 36.050 71.442 -41.858 1.00 0.00 H new ATOM 0 HA ASP A 9 37.199 69.734 -43.734 1.00 0.00 H new ATOM 0 HB2 ASP A 9 35.415 71.300 -44.315 1.00 0.00 H new ATOM 0 HB3 ASP A 9 36.412 72.682 -43.905 1.00 0.00 H new ATOM 160 N TYR A 10 39.577 70.320 -44.194 1.00 0.00 N ATOM 161 CA TYR A 10 41.014 70.649 -44.408 1.00 0.00 C ATOM 162 C TYR A 10 41.387 70.336 -45.859 1.00 0.00 C ATOM 163 O TYR A 10 40.574 69.857 -46.625 1.00 0.00 O ATOM 164 CB TYR A 10 41.878 69.811 -43.463 1.00 0.00 C ATOM 165 CG TYR A 10 42.773 70.723 -42.659 1.00 0.00 C ATOM 166 CD1 TYR A 10 42.244 71.459 -41.591 1.00 0.00 C ATOM 167 CD2 TYR A 10 44.131 70.833 -42.979 1.00 0.00 C ATOM 168 CE1 TYR A 10 43.074 72.304 -40.845 1.00 0.00 C ATOM 169 CE2 TYR A 10 44.961 71.679 -42.234 1.00 0.00 C ATOM 170 CZ TYR A 10 44.432 72.415 -41.166 1.00 0.00 C ATOM 171 OH TYR A 10 45.250 73.248 -40.431 1.00 0.00 O ATOM 0 H TYR A 10 39.289 69.402 -44.531 1.00 0.00 H new ATOM 0 HA TYR A 10 41.184 71.706 -44.205 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.245 69.225 -42.797 1.00 0.00 H new ATOM 0 HB3 TYR A 10 42.480 69.104 -44.034 1.00 0.00 H new ATOM 0 HD1 TYR A 10 41.196 71.375 -41.343 1.00 0.00 H new ATOM 0 HD2 TYR A 10 44.539 70.265 -43.802 1.00 0.00 H new ATOM 0 HE1 TYR A 10 42.666 72.871 -40.021 1.00 0.00 H new ATOM 0 HE2 TYR A 10 46.009 71.764 -42.483 1.00 0.00 H new ATOM 0 HH TYR A 10 46.163 73.206 -40.786 1.00 0.00 H new ATOM 181 N MET A 11 42.605 70.597 -46.245 1.00 0.00 N ATOM 182 CA MET A 11 43.016 70.312 -47.644 1.00 0.00 C ATOM 183 C MET A 11 44.512 69.985 -47.687 1.00 0.00 C ATOM 184 O MET A 11 45.259 70.390 -46.819 1.00 0.00 O ATOM 185 CB MET A 11 42.738 71.535 -48.524 1.00 0.00 C ATOM 186 CG MET A 11 41.516 72.288 -47.992 1.00 0.00 C ATOM 187 SD MET A 11 41.398 73.899 -48.810 1.00 0.00 S ATOM 188 CE MET A 11 39.594 73.967 -48.919 1.00 0.00 C ATOM 0 H MET A 11 43.332 70.995 -45.651 1.00 0.00 H new ATOM 0 HA MET A 11 42.447 69.460 -48.016 1.00 0.00 H new ATOM 0 HB2 MET A 11 43.607 72.193 -48.533 1.00 0.00 H new ATOM 0 HB3 MET A 11 42.564 71.222 -49.554 1.00 0.00 H new ATOM 0 HG2 MET A 11 40.611 71.709 -48.174 1.00 0.00 H new ATOM 0 HG3 MET A 11 41.598 72.421 -46.913 1.00 0.00 H new ATOM 0 HE1 MET A 11 39.293 74.897 -49.401 1.00 0.00 H new ATOM 0 HE2 MET A 11 39.233 73.122 -49.505 1.00 0.00 H new ATOM 0 HE3 MET A 11 39.167 73.923 -47.917 1.00 0.00 H new ATOM 198 N PRO A 12 44.901 69.257 -48.704 1.00 0.00 N ATOM 199 CA PRO A 12 46.303 68.852 -48.901 1.00 0.00 C ATOM 200 C PRO A 12 47.118 70.015 -49.474 1.00 0.00 C ATOM 201 O PRO A 12 46.859 70.491 -50.562 1.00 0.00 O ATOM 202 CB PRO A 12 46.206 67.703 -49.908 1.00 0.00 C ATOM 203 CG PRO A 12 44.860 67.885 -50.650 1.00 0.00 C ATOM 204 CD PRO A 12 43.978 68.771 -49.750 1.00 0.00 C ATOM 0 HA PRO A 12 46.801 68.560 -47.976 1.00 0.00 H new ATOM 0 HB2 PRO A 12 47.042 67.728 -50.607 1.00 0.00 H new ATOM 0 HB3 PRO A 12 46.243 66.739 -49.402 1.00 0.00 H new ATOM 0 HG2 PRO A 12 45.014 68.352 -51.623 1.00 0.00 H new ATOM 0 HG3 PRO A 12 44.384 66.921 -50.831 1.00 0.00 H new ATOM 0 HD2 PRO A 12 43.541 69.597 -50.310 1.00 0.00 H new ATOM 0 HD3 PRO A 12 43.152 68.205 -49.320 1.00 0.00 H new ATOM 211 N MET A 13 48.102 70.475 -48.750 1.00 0.00 N ATOM 212 CA MET A 13 48.932 71.606 -49.254 1.00 0.00 C ATOM 213 C MET A 13 50.091 71.856 -48.286 1.00 0.00 C ATOM 214 O MET A 13 50.482 72.981 -48.047 1.00 0.00 O ATOM 215 CB MET A 13 48.069 72.867 -49.353 1.00 0.00 C ATOM 216 CG MET A 13 47.283 73.050 -48.055 1.00 0.00 C ATOM 217 SD MET A 13 47.344 74.788 -47.552 1.00 0.00 S ATOM 218 CE MET A 13 46.121 74.682 -46.223 1.00 0.00 C ATOM 0 H MET A 13 48.367 70.117 -47.832 1.00 0.00 H new ATOM 0 HA MET A 13 49.327 71.358 -50.239 1.00 0.00 H new ATOM 0 HB2 MET A 13 48.699 73.738 -49.535 1.00 0.00 H new ATOM 0 HB3 MET A 13 47.384 72.786 -50.197 1.00 0.00 H new ATOM 0 HG2 MET A 13 46.248 72.738 -48.197 1.00 0.00 H new ATOM 0 HG3 MET A 13 47.702 72.419 -47.271 1.00 0.00 H new ATOM 0 HE1 MET A 13 45.998 75.662 -45.763 1.00 0.00 H new ATOM 0 HE2 MET A 13 45.167 74.350 -46.632 1.00 0.00 H new ATOM 0 HE3 MET A 13 46.461 73.969 -45.472 1.00 0.00 H new ATOM 228 N ASN A 14 50.642 70.814 -47.726 1.00 0.00 N ATOM 229 CA ASN A 14 51.774 70.991 -46.774 1.00 0.00 C ATOM 230 C ASN A 14 52.394 69.627 -46.461 1.00 0.00 C ATOM 231 O ASN A 14 53.406 69.252 -47.019 1.00 0.00 O ATOM 232 CB ASN A 14 51.260 71.626 -45.480 1.00 0.00 C ATOM 233 CG ASN A 14 51.851 73.029 -45.328 1.00 0.00 C ATOM 234 OD1 ASN A 14 52.486 73.533 -46.233 1.00 0.00 O ATOM 235 ND2 ASN A 14 51.668 73.684 -44.215 1.00 0.00 N ATOM 0 H ASN A 14 50.357 69.848 -47.887 1.00 0.00 H new ATOM 0 HA ASN A 14 52.527 71.640 -47.222 1.00 0.00 H new ATOM 0 HB2 ASN A 14 50.171 71.679 -45.496 1.00 0.00 H new ATOM 0 HB3 ASN A 14 51.537 71.009 -44.625 1.00 0.00 H new ATOM 0 HD21 ASN A 14 52.058 74.620 -44.104 1.00 0.00 H new ATOM 0 HD22 ASN A 14 51.135 73.260 -43.456 1.00 0.00 H new ATOM 242 N ALA A 15 51.795 68.884 -45.570 1.00 0.00 N ATOM 243 CA ALA A 15 52.352 67.546 -45.222 1.00 0.00 C ATOM 244 C ALA A 15 51.483 66.452 -45.847 1.00 0.00 C ATOM 245 O ALA A 15 51.241 65.423 -45.249 1.00 0.00 O ATOM 246 CB ALA A 15 52.364 67.380 -43.700 1.00 0.00 C ATOM 0 H ALA A 15 50.946 69.145 -45.069 1.00 0.00 H new ATOM 0 HA ALA A 15 53.369 67.465 -45.606 1.00 0.00 H new ATOM 0 HB1 ALA A 15 52.771 66.402 -43.444 1.00 0.00 H new ATOM 0 HB2 ALA A 15 52.983 68.159 -43.254 1.00 0.00 H new ATOM 0 HB3 ALA A 15 51.347 67.461 -43.317 1.00 0.00 H new ATOM 252 N ASN A 16 51.014 66.666 -47.046 1.00 0.00 N ATOM 253 CA ASN A 16 50.161 65.638 -47.710 1.00 0.00 C ATOM 254 C ASN A 16 48.858 65.468 -46.924 1.00 0.00 C ATOM 255 O ASN A 16 48.157 64.488 -47.072 1.00 0.00 O ATOM 256 CB ASN A 16 50.909 64.304 -47.758 1.00 0.00 C ATOM 257 CG ASN A 16 51.645 64.179 -49.093 1.00 0.00 C ATOM 258 OD1 ASN A 16 51.626 63.136 -49.716 1.00 0.00 O ATOM 259 ND2 ASN A 16 52.299 65.207 -49.562 1.00 0.00 N ATOM 0 H ASN A 16 51.184 67.508 -47.595 1.00 0.00 H new ATOM 0 HA ASN A 16 49.931 65.960 -48.726 1.00 0.00 H new ATOM 0 HB2 ASN A 16 51.618 64.243 -46.933 1.00 0.00 H new ATOM 0 HB3 ASN A 16 50.208 63.478 -47.638 1.00 0.00 H new ATOM 0 HD21 ASN A 16 52.794 65.134 -50.451 1.00 0.00 H new ATOM 0 HD22 ASN A 16 52.315 66.083 -49.039 1.00 0.00 H new ATOM 266 N ASP A 17 48.529 66.417 -46.091 1.00 0.00 N ATOM 267 CA ASP A 17 47.271 66.314 -45.298 1.00 0.00 C ATOM 268 C ASP A 17 46.128 65.869 -46.209 1.00 0.00 C ATOM 269 O ASP A 17 45.979 66.363 -47.309 1.00 0.00 O ATOM 270 CB ASP A 17 46.925 67.687 -44.712 1.00 0.00 C ATOM 271 CG ASP A 17 45.986 67.516 -43.516 1.00 0.00 C ATOM 272 OD1 ASP A 17 46.338 66.779 -42.610 1.00 0.00 O ATOM 273 OD2 ASP A 17 44.930 68.127 -43.526 1.00 0.00 O ATOM 0 H ASP A 17 49.078 67.261 -45.925 1.00 0.00 H new ATOM 0 HA ASP A 17 47.411 65.589 -44.496 1.00 0.00 H new ATOM 0 HB2 ASP A 17 47.835 68.200 -44.402 1.00 0.00 H new ATOM 0 HB3 ASP A 17 46.452 68.309 -45.472 1.00 0.00 H new ATOM 278 N LEU A 18 45.307 64.953 -45.767 1.00 0.00 N ATOM 279 CA LEU A 18 44.175 64.516 -46.630 1.00 0.00 C ATOM 280 C LEU A 18 43.053 65.549 -46.526 1.00 0.00 C ATOM 281 O LEU A 18 42.853 66.153 -45.493 1.00 0.00 O ATOM 282 CB LEU A 18 43.660 63.158 -46.132 1.00 0.00 C ATOM 283 CG LEU A 18 44.161 61.971 -46.987 1.00 0.00 C ATOM 284 CD1 LEU A 18 45.221 62.390 -48.015 1.00 0.00 C ATOM 285 CD2 LEU A 18 44.767 60.929 -46.048 1.00 0.00 C ATOM 0 H LEU A 18 45.371 64.495 -44.858 1.00 0.00 H new ATOM 0 HA LEU A 18 44.504 64.426 -47.665 1.00 0.00 H new ATOM 0 HB2 LEU A 18 43.975 63.013 -45.099 1.00 0.00 H new ATOM 0 HB3 LEU A 18 42.570 63.166 -46.135 1.00 0.00 H new ATOM 0 HG LEU A 18 43.311 61.572 -47.541 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.537 61.518 -48.587 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.799 63.134 -48.691 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.081 62.816 -47.498 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.128 60.081 -46.630 1.00 0.00 H new ATOM 0 HD22 LEU A 18 45.598 61.373 -45.500 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.008 60.589 -45.343 1.00 0.00 H new ATOM 297 N GLN A 19 42.322 65.760 -47.586 1.00 0.00 N ATOM 298 CA GLN A 19 41.215 66.754 -47.534 1.00 0.00 C ATOM 299 C GLN A 19 40.159 66.253 -46.552 1.00 0.00 C ATOM 300 O GLN A 19 39.570 65.206 -46.741 1.00 0.00 O ATOM 301 CB GLN A 19 40.594 66.910 -48.924 1.00 0.00 C ATOM 302 CG GLN A 19 39.439 67.911 -48.857 1.00 0.00 C ATOM 303 CD GLN A 19 38.318 67.461 -49.796 1.00 0.00 C ATOM 304 OE1 GLN A 19 38.000 66.291 -49.864 1.00 0.00 O ATOM 305 NE2 GLN A 19 37.701 68.349 -50.528 1.00 0.00 N ATOM 0 H GLN A 19 42.443 65.289 -48.482 1.00 0.00 H new ATOM 0 HA GLN A 19 41.598 67.721 -47.209 1.00 0.00 H new ATOM 0 HB2 GLN A 19 41.346 67.254 -49.634 1.00 0.00 H new ATOM 0 HB3 GLN A 19 40.234 65.946 -49.283 1.00 0.00 H new ATOM 0 HG2 GLN A 19 39.065 67.983 -47.836 1.00 0.00 H new ATOM 0 HG3 GLN A 19 39.788 68.904 -49.140 1.00 0.00 H new ATOM 0 HE21 GLN A 19 37.968 69.332 -50.471 1.00 0.00 H new ATOM 0 HE22 GLN A 19 36.952 68.060 -51.157 1.00 0.00 H new ATOM 314 N LEU A 20 39.923 66.977 -45.495 1.00 0.00 N ATOM 315 CA LEU A 20 38.918 66.519 -44.500 1.00 0.00 C ATOM 316 C LEU A 20 37.520 66.965 -44.912 1.00 0.00 C ATOM 317 O LEU A 20 37.346 67.910 -45.656 1.00 0.00 O ATOM 318 CB LEU A 20 39.249 67.100 -43.126 1.00 0.00 C ATOM 319 CG LEU A 20 40.626 66.614 -42.656 1.00 0.00 C ATOM 320 CD1 LEU A 20 40.565 66.341 -41.157 1.00 0.00 C ATOM 321 CD2 LEU A 20 41.030 65.323 -43.385 1.00 0.00 C ATOM 0 H LEU A 20 40.381 67.862 -45.278 1.00 0.00 H new ATOM 0 HA LEU A 20 38.945 65.430 -44.455 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.237 68.189 -43.172 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.487 66.803 -42.406 1.00 0.00 H new ATOM 0 HG LEU A 20 41.365 67.384 -42.878 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.539 65.995 -40.810 1.00 0.00 H new ATOM 0 HD12 LEU A 20 40.297 67.257 -40.631 1.00 0.00 H new ATOM 0 HD13 LEU A 20 39.815 65.576 -40.957 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.010 64.999 -43.034 1.00 0.00 H new ATOM 0 HD22 LEU A 20 40.295 64.544 -43.180 1.00 0.00 H new ATOM 0 HD23 LEU A 20 41.072 65.509 -44.458 1.00 0.00 H new ATOM 333 N ARG A 21 36.524 66.293 -44.418 1.00 0.00 N ATOM 334 CA ARG A 21 35.124 66.668 -44.755 1.00 0.00 C ATOM 335 C ARG A 21 34.282 66.593 -43.489 1.00 0.00 C ATOM 336 O ARG A 21 33.083 66.414 -43.532 1.00 0.00 O ATOM 337 CB ARG A 21 34.567 65.711 -45.812 1.00 0.00 C ATOM 338 CG ARG A 21 33.300 66.308 -46.427 1.00 0.00 C ATOM 339 CD ARG A 21 32.130 65.345 -46.221 1.00 0.00 C ATOM 340 NE ARG A 21 30.845 66.085 -46.371 1.00 0.00 N ATOM 341 CZ ARG A 21 29.715 65.493 -46.097 1.00 0.00 C ATOM 342 NH1 ARG A 21 28.962 65.046 -47.064 1.00 0.00 N ATOM 343 NH2 ARG A 21 29.338 65.347 -44.856 1.00 0.00 N ATOM 0 H ARG A 21 36.618 65.494 -43.791 1.00 0.00 H new ATOM 0 HA ARG A 21 35.098 67.681 -45.157 1.00 0.00 H new ATOM 0 HB2 ARG A 21 35.312 65.536 -46.588 1.00 0.00 H new ATOM 0 HB3 ARG A 21 34.344 64.744 -45.361 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.078 67.270 -45.966 1.00 0.00 H new ATOM 0 HG3 ARG A 21 33.451 66.491 -47.491 1.00 0.00 H new ATOM 0 HD2 ARG A 21 32.181 64.533 -46.947 1.00 0.00 H new ATOM 0 HD3 ARG A 21 32.188 64.892 -45.231 1.00 0.00 H new ATOM 0 HE ARG A 21 30.849 67.055 -46.688 1.00 0.00 H new ATOM 0 HH11 ARG A 21 29.257 65.159 -48.034 1.00 0.00 H new ATOM 0 HH12 ARG A 21 28.079 64.583 -46.850 1.00 0.00 H new ATOM 0 HH21 ARG A 21 29.927 65.696 -44.100 1.00 0.00 H new ATOM 0 HH22 ARG A 21 28.455 64.884 -44.642 1.00 0.00 H new ATOM 357 N LYS A 22 34.925 66.737 -42.367 1.00 0.00 N ATOM 358 CA LYS A 22 34.217 66.688 -41.057 1.00 0.00 C ATOM 359 C LYS A 22 33.087 65.658 -41.101 1.00 0.00 C ATOM 360 O LYS A 22 31.993 65.938 -41.551 1.00 0.00 O ATOM 361 CB LYS A 22 33.639 68.065 -40.740 1.00 0.00 C ATOM 362 CG LYS A 22 34.608 69.141 -41.224 1.00 0.00 C ATOM 363 CD LYS A 22 33.933 70.512 -41.141 1.00 0.00 C ATOM 364 CE LYS A 22 33.589 70.998 -42.550 1.00 0.00 C ATOM 365 NZ LYS A 22 32.124 71.251 -42.646 1.00 0.00 N ATOM 0 H LYS A 22 35.931 66.890 -42.300 1.00 0.00 H new ATOM 0 HA LYS A 22 34.927 66.399 -40.282 1.00 0.00 H new ATOM 0 HB2 LYS A 22 32.671 68.186 -41.225 1.00 0.00 H new ATOM 0 HB3 LYS A 22 33.473 68.164 -39.667 1.00 0.00 H new ATOM 0 HG2 LYS A 22 35.512 69.132 -40.615 1.00 0.00 H new ATOM 0 HG3 LYS A 22 34.913 68.936 -42.250 1.00 0.00 H new ATOM 0 HD2 LYS A 22 33.028 70.448 -40.536 1.00 0.00 H new ATOM 0 HD3 LYS A 22 34.595 71.226 -40.650 1.00 0.00 H new ATOM 0 HE2 LYS A 22 34.142 71.910 -42.776 1.00 0.00 H new ATOM 0 HE3 LYS A 22 33.889 70.252 -43.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.891 71.581 -43.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 31.606 70.371 -42.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 31.851 71.977 -41.953 1.00 0.00 H new ATOM 379 N GLY A 23 33.341 64.469 -40.638 1.00 0.00 N ATOM 380 CA GLY A 23 32.286 63.419 -40.655 1.00 0.00 C ATOM 381 C GLY A 23 32.899 62.117 -41.159 1.00 0.00 C ATOM 382 O GLY A 23 33.014 61.151 -40.431 1.00 0.00 O ATOM 0 H GLY A 23 34.237 64.177 -40.247 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.875 63.281 -39.655 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.461 63.723 -41.300 1.00 0.00 H new ATOM 386 N ASP A 24 33.312 62.088 -42.396 1.00 0.00 N ATOM 387 CA ASP A 24 33.935 60.852 -42.936 1.00 0.00 C ATOM 388 C ASP A 24 35.155 60.513 -42.081 1.00 0.00 C ATOM 389 O ASP A 24 36.008 61.344 -41.846 1.00 0.00 O ATOM 390 CB ASP A 24 34.373 61.086 -44.382 1.00 0.00 C ATOM 391 CG ASP A 24 33.261 61.809 -45.143 1.00 0.00 C ATOM 392 OD1 ASP A 24 33.189 63.023 -45.038 1.00 0.00 O ATOM 393 OD2 ASP A 24 32.499 61.136 -45.819 1.00 0.00 O ATOM 0 H ASP A 24 33.244 62.865 -43.053 1.00 0.00 H new ATOM 0 HA ASP A 24 33.219 60.031 -42.912 1.00 0.00 H new ATOM 0 HB2 ASP A 24 35.288 61.678 -44.404 1.00 0.00 H new ATOM 0 HB3 ASP A 24 34.598 60.134 -44.863 1.00 0.00 H new ATOM 398 N GLU A 25 35.242 59.305 -41.606 1.00 0.00 N ATOM 399 CA GLU A 25 36.406 58.930 -40.758 1.00 0.00 C ATOM 400 C GLU A 25 37.590 58.561 -41.649 1.00 0.00 C ATOM 401 O GLU A 25 37.455 58.409 -42.847 1.00 0.00 O ATOM 402 CB GLU A 25 36.035 57.733 -39.877 1.00 0.00 C ATOM 403 CG GLU A 25 34.557 57.820 -39.492 1.00 0.00 C ATOM 404 CD GLU A 25 33.769 56.749 -40.250 1.00 0.00 C ATOM 405 OE1 GLU A 25 34.203 55.609 -40.249 1.00 0.00 O ATOM 406 OE2 GLU A 25 32.743 57.089 -40.818 1.00 0.00 O ATOM 0 H GLU A 25 34.561 58.563 -41.767 1.00 0.00 H new ATOM 0 HA GLU A 25 36.679 59.774 -40.125 1.00 0.00 H new ATOM 0 HB2 GLU A 25 36.229 56.802 -40.410 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.655 57.722 -38.981 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.441 57.680 -38.417 1.00 0.00 H new ATOM 0 HG3 GLU A 25 34.166 58.810 -39.728 1.00 0.00 H new ATOM 413 N TYR A 26 38.749 58.421 -41.071 1.00 0.00 N ATOM 414 CA TYR A 26 39.950 58.069 -41.875 1.00 0.00 C ATOM 415 C TYR A 26 40.613 56.821 -41.283 1.00 0.00 C ATOM 416 O TYR A 26 40.736 56.678 -40.081 1.00 0.00 O ATOM 417 CB TYR A 26 40.933 59.245 -41.852 1.00 0.00 C ATOM 418 CG TYR A 26 40.191 60.527 -42.160 1.00 0.00 C ATOM 419 CD1 TYR A 26 39.187 60.525 -43.132 1.00 0.00 C ATOM 420 CD2 TYR A 26 40.506 61.716 -41.485 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.497 61.699 -43.436 1.00 0.00 C ATOM 422 CE2 TYR A 26 39.815 62.894 -41.791 1.00 0.00 C ATOM 423 CZ TYR A 26 38.809 62.883 -42.768 1.00 0.00 C ATOM 424 OH TYR A 26 38.136 64.046 -43.082 1.00 0.00 O ATOM 0 H TYR A 26 38.916 58.536 -40.071 1.00 0.00 H new ATOM 0 HA TYR A 26 39.659 57.862 -42.905 1.00 0.00 H new ATOM 0 HB2 TYR A 26 41.411 59.314 -40.875 1.00 0.00 H new ATOM 0 HB3 TYR A 26 41.725 59.086 -42.584 1.00 0.00 H new ATOM 0 HD1 TYR A 26 38.944 59.610 -43.651 1.00 0.00 H new ATOM 0 HD2 TYR A 26 41.280 61.722 -40.731 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.722 61.691 -44.188 1.00 0.00 H new ATOM 0 HE2 TYR A 26 40.056 63.811 -41.275 1.00 0.00 H new ATOM 0 HH TYR A 26 37.701 63.947 -43.955 1.00 0.00 H new ATOM 434 N PHE A 27 41.044 55.919 -42.125 1.00 0.00 N ATOM 435 CA PHE A 27 41.703 54.679 -41.628 1.00 0.00 C ATOM 436 C PHE A 27 43.174 54.974 -41.384 1.00 0.00 C ATOM 437 O PHE A 27 43.848 55.548 -42.214 1.00 0.00 O ATOM 438 CB PHE A 27 41.566 53.568 -42.671 1.00 0.00 C ATOM 439 CG PHE A 27 40.361 52.716 -42.348 1.00 0.00 C ATOM 440 CD1 PHE A 27 39.267 53.277 -41.677 1.00 0.00 C ATOM 441 CD2 PHE A 27 40.338 51.367 -42.720 1.00 0.00 C ATOM 442 CE1 PHE A 27 38.150 52.487 -41.379 1.00 0.00 C ATOM 443 CE2 PHE A 27 39.221 50.578 -42.421 1.00 0.00 C ATOM 444 CZ PHE A 27 38.128 51.138 -41.751 1.00 0.00 C ATOM 0 H PHE A 27 40.967 55.990 -43.140 1.00 0.00 H new ATOM 0 HA PHE A 27 41.231 54.353 -40.701 1.00 0.00 H new ATOM 0 HB2 PHE A 27 41.462 54.000 -43.666 1.00 0.00 H new ATOM 0 HB3 PHE A 27 42.466 52.953 -42.683 1.00 0.00 H new ATOM 0 HD1 PHE A 27 39.285 54.318 -41.390 1.00 0.00 H new ATOM 0 HD2 PHE A 27 41.182 50.935 -43.238 1.00 0.00 H new ATOM 0 HE1 PHE A 27 37.306 52.919 -40.862 1.00 0.00 H new ATOM 0 HE2 PHE A 27 39.203 49.537 -42.708 1.00 0.00 H new ATOM 0 HZ PHE A 27 37.266 50.529 -41.521 1.00 0.00 H new ATOM 454 N ILE A 28 43.675 54.614 -40.242 1.00 0.00 N ATOM 455 CA ILE A 28 45.094 54.913 -39.945 1.00 0.00 C ATOM 456 C ILE A 28 46.020 53.841 -40.497 1.00 0.00 C ATOM 457 O ILE A 28 46.301 52.845 -39.861 1.00 0.00 O ATOM 458 CB ILE A 28 45.282 55.034 -38.439 1.00 0.00 C ATOM 459 CG1 ILE A 28 44.225 55.990 -37.867 1.00 0.00 C ATOM 460 CG2 ILE A 28 46.682 55.579 -38.161 1.00 0.00 C ATOM 461 CD1 ILE A 28 43.928 57.121 -38.863 1.00 0.00 C ATOM 0 H ILE A 28 43.165 54.128 -39.505 1.00 0.00 H new ATOM 0 HA ILE A 28 45.351 55.855 -40.429 1.00 0.00 H new ATOM 0 HB ILE A 28 45.169 54.058 -37.967 1.00 0.00 H new ATOM 0 HG12 ILE A 28 43.309 55.440 -37.648 1.00 0.00 H new ATOM 0 HG13 ILE A 28 44.578 56.410 -36.925 1.00 0.00 H new ATOM 0 HG21 ILE A 28 46.830 55.671 -37.085 1.00 0.00 H new ATOM 0 HG22 ILE A 28 47.426 54.897 -38.573 1.00 0.00 H new ATOM 0 HG23 ILE A 28 46.790 56.559 -38.627 1.00 0.00 H new ATOM 0 HD11 ILE A 28 43.177 57.789 -38.442 1.00 0.00 H new ATOM 0 HD12 ILE A 28 44.842 57.681 -39.061 1.00 0.00 H new ATOM 0 HD13 ILE A 28 43.554 56.696 -39.795 1.00 0.00 H new ATOM 473 N LEU A 29 46.532 54.075 -41.667 1.00 0.00 N ATOM 474 CA LEU A 29 47.488 53.121 -42.271 1.00 0.00 C ATOM 475 C LEU A 29 48.790 53.215 -41.480 1.00 0.00 C ATOM 476 O LEU A 29 49.688 52.409 -41.626 1.00 0.00 O ATOM 477 CB LEU A 29 47.738 53.530 -43.719 1.00 0.00 C ATOM 478 CG LEU A 29 46.505 53.213 -44.562 1.00 0.00 C ATOM 479 CD1 LEU A 29 45.297 53.976 -44.016 1.00 0.00 C ATOM 480 CD2 LEU A 29 46.766 53.638 -46.005 1.00 0.00 C ATOM 0 H LEU A 29 46.325 54.896 -42.236 1.00 0.00 H new ATOM 0 HA LEU A 29 47.101 52.102 -42.247 1.00 0.00 H new ATOM 0 HB2 LEU A 29 47.963 54.595 -43.773 1.00 0.00 H new ATOM 0 HB3 LEU A 29 48.606 53.000 -44.112 1.00 0.00 H new ATOM 0 HG LEU A 29 46.300 52.143 -44.523 1.00 0.00 H new ATOM 0 HD11 LEU A 29 44.419 53.747 -44.620 1.00 0.00 H new ATOM 0 HD12 LEU A 29 45.115 53.678 -42.983 1.00 0.00 H new ATOM 0 HD13 LEU A 29 45.495 55.047 -44.055 1.00 0.00 H new ATOM 0 HD21 LEU A 29 45.890 53.415 -46.614 1.00 0.00 H new ATOM 0 HD22 LEU A 29 46.968 54.709 -46.038 1.00 0.00 H new ATOM 0 HD23 LEU A 29 47.627 53.094 -46.394 1.00 0.00 H new ATOM 492 N GLU A 30 48.888 54.210 -40.637 1.00 0.00 N ATOM 493 CA GLU A 30 50.115 54.394 -39.816 1.00 0.00 C ATOM 494 C GLU A 30 49.889 55.563 -38.856 1.00 0.00 C ATOM 495 O GLU A 30 48.979 56.349 -39.031 1.00 0.00 O ATOM 496 CB GLU A 30 51.304 54.702 -40.729 1.00 0.00 C ATOM 497 CG GLU A 30 52.561 54.030 -40.173 1.00 0.00 C ATOM 498 CD GLU A 30 53.323 53.352 -41.312 1.00 0.00 C ATOM 499 OE1 GLU A 30 53.359 53.916 -42.392 1.00 0.00 O ATOM 500 OE2 GLU A 30 53.857 52.279 -41.084 1.00 0.00 O ATOM 0 H GLU A 30 48.161 54.909 -40.483 1.00 0.00 H new ATOM 0 HA GLU A 30 50.326 53.485 -39.253 1.00 0.00 H new ATOM 0 HB2 GLU A 30 51.103 54.344 -41.739 1.00 0.00 H new ATOM 0 HB3 GLU A 30 51.454 55.779 -40.797 1.00 0.00 H new ATOM 0 HG2 GLU A 30 53.196 54.770 -39.686 1.00 0.00 H new ATOM 0 HG3 GLU A 30 52.289 53.295 -39.415 1.00 0.00 H new ATOM 507 N GLU A 31 50.697 55.687 -37.842 1.00 0.00 N ATOM 508 CA GLU A 31 50.502 56.807 -36.879 1.00 0.00 C ATOM 509 C GLU A 31 51.861 57.366 -36.449 1.00 0.00 C ATOM 510 O GLU A 31 52.856 57.205 -37.129 1.00 0.00 O ATOM 511 CB GLU A 31 49.755 56.287 -35.652 1.00 0.00 C ATOM 512 CG GLU A 31 50.610 55.235 -34.945 1.00 0.00 C ATOM 513 CD GLU A 31 49.734 54.421 -33.991 1.00 0.00 C ATOM 514 OE1 GLU A 31 49.594 54.830 -32.851 1.00 0.00 O ATOM 515 OE2 GLU A 31 49.218 53.400 -34.418 1.00 0.00 O ATOM 0 H GLU A 31 51.480 55.066 -37.638 1.00 0.00 H new ATOM 0 HA GLU A 31 49.925 57.599 -37.356 1.00 0.00 H new ATOM 0 HB2 GLU A 31 49.534 57.109 -34.971 1.00 0.00 H new ATOM 0 HB3 GLU A 31 48.800 55.855 -35.950 1.00 0.00 H new ATOM 0 HG2 GLU A 31 51.076 54.577 -35.679 1.00 0.00 H new ATOM 0 HG3 GLU A 31 51.416 55.718 -34.393 1.00 0.00 H new ATOM 522 N SER A 32 51.908 58.025 -35.324 1.00 0.00 N ATOM 523 CA SER A 32 53.194 58.599 -34.840 1.00 0.00 C ATOM 524 C SER A 32 52.935 59.404 -33.565 1.00 0.00 C ATOM 525 O SER A 32 51.836 59.864 -33.325 1.00 0.00 O ATOM 526 CB SER A 32 53.779 59.516 -35.915 1.00 0.00 C ATOM 527 OG SER A 32 54.972 60.114 -35.423 1.00 0.00 O ATOM 0 H SER A 32 51.106 58.191 -34.716 1.00 0.00 H new ATOM 0 HA SER A 32 53.900 57.796 -34.629 1.00 0.00 H new ATOM 0 HB2 SER A 32 53.990 58.946 -36.820 1.00 0.00 H new ATOM 0 HB3 SER A 32 53.057 60.286 -36.185 1.00 0.00 H new ATOM 0 HG SER A 32 55.351 60.701 -36.110 1.00 0.00 H new ATOM 533 N ASN A 33 53.936 59.576 -32.744 1.00 0.00 N ATOM 534 CA ASN A 33 53.743 60.351 -31.484 1.00 0.00 C ATOM 535 C ASN A 33 52.914 61.602 -31.778 1.00 0.00 C ATOM 536 O ASN A 33 51.948 61.893 -31.100 1.00 0.00 O ATOM 537 CB ASN A 33 55.105 60.761 -30.923 1.00 0.00 C ATOM 538 CG ASN A 33 55.721 59.585 -30.165 1.00 0.00 C ATOM 539 OD1 ASN A 33 55.145 58.516 -30.106 1.00 0.00 O ATOM 540 ND2 ASN A 33 56.876 59.735 -29.577 1.00 0.00 N ATOM 0 H ASN A 33 54.878 59.214 -32.891 1.00 0.00 H new ATOM 0 HA ASN A 33 53.222 59.733 -30.753 1.00 0.00 H new ATOM 0 HB2 ASN A 33 55.765 61.071 -31.733 1.00 0.00 H new ATOM 0 HB3 ASN A 33 54.993 61.617 -30.258 1.00 0.00 H new ATOM 0 HD21 ASN A 33 57.295 58.956 -29.069 1.00 0.00 H new ATOM 0 HD22 ASN A 33 57.360 60.631 -29.626 1.00 0.00 H new ATOM 547 N LEU A 34 53.281 62.343 -32.787 1.00 0.00 N ATOM 548 CA LEU A 34 52.513 63.573 -33.129 1.00 0.00 C ATOM 549 C LEU A 34 51.049 63.202 -33.383 1.00 0.00 C ATOM 550 O LEU A 34 50.731 62.046 -33.582 1.00 0.00 O ATOM 551 CB LEU A 34 53.108 64.203 -34.391 1.00 0.00 C ATOM 552 CG LEU A 34 54.319 65.057 -34.015 1.00 0.00 C ATOM 553 CD1 LEU A 34 55.325 65.053 -35.167 1.00 0.00 C ATOM 554 CD2 LEU A 34 53.865 66.493 -33.741 1.00 0.00 C ATOM 0 H LEU A 34 54.081 62.149 -33.390 1.00 0.00 H new ATOM 0 HA LEU A 34 52.569 64.284 -32.305 1.00 0.00 H new ATOM 0 HB2 LEU A 34 53.404 63.424 -35.094 1.00 0.00 H new ATOM 0 HB3 LEU A 34 52.359 64.816 -34.891 1.00 0.00 H new ATOM 0 HG LEU A 34 54.789 64.646 -33.121 1.00 0.00 H new ATOM 0 HD11 LEU A 34 56.188 65.662 -34.898 1.00 0.00 H new ATOM 0 HD12 LEU A 34 55.649 64.031 -35.364 1.00 0.00 H new ATOM 0 HD13 LEU A 34 54.856 65.463 -36.061 1.00 0.00 H new ATOM 0 HD21 LEU A 34 54.728 67.103 -33.473 1.00 0.00 H new ATOM 0 HD22 LEU A 34 53.395 66.903 -34.635 1.00 0.00 H new ATOM 0 HD23 LEU A 34 53.148 66.498 -32.920 1.00 0.00 H new ATOM 566 N PRO A 35 50.198 64.197 -33.372 1.00 0.00 N ATOM 567 CA PRO A 35 48.755 64.008 -33.603 1.00 0.00 C ATOM 568 C PRO A 35 48.481 63.801 -35.096 1.00 0.00 C ATOM 569 O PRO A 35 47.426 63.346 -35.489 1.00 0.00 O ATOM 570 CB PRO A 35 48.137 65.317 -33.102 1.00 0.00 C ATOM 571 CG PRO A 35 49.265 66.375 -33.141 1.00 0.00 C ATOM 572 CD PRO A 35 50.595 65.600 -33.131 1.00 0.00 C ATOM 0 HA PRO A 35 48.346 63.134 -33.097 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.300 65.618 -33.732 1.00 0.00 H new ATOM 0 HB3 PRO A 35 47.748 65.201 -32.090 1.00 0.00 H new ATOM 0 HG2 PRO A 35 49.184 66.995 -34.034 1.00 0.00 H new ATOM 0 HG3 PRO A 35 49.199 67.043 -32.282 1.00 0.00 H new ATOM 0 HD2 PRO A 35 51.272 65.961 -33.905 1.00 0.00 H new ATOM 0 HD3 PRO A 35 51.113 65.709 -32.178 1.00 0.00 H new ATOM 579 N TRP A 36 49.434 64.126 -35.926 1.00 0.00 N ATOM 580 CA TRP A 36 49.249 63.946 -37.394 1.00 0.00 C ATOM 581 C TRP A 36 49.659 62.523 -37.773 1.00 0.00 C ATOM 582 O TRP A 36 50.726 62.073 -37.410 1.00 0.00 O ATOM 583 CB TRP A 36 50.146 64.936 -38.133 1.00 0.00 C ATOM 584 CG TRP A 36 50.109 66.263 -37.446 1.00 0.00 C ATOM 585 CD1 TRP A 36 49.126 66.685 -36.620 1.00 0.00 C ATOM 586 CD2 TRP A 36 51.082 67.346 -37.512 1.00 0.00 C ATOM 587 NE1 TRP A 36 49.433 67.957 -36.173 1.00 0.00 N ATOM 588 CE2 TRP A 36 50.629 68.408 -36.696 1.00 0.00 C ATOM 589 CE3 TRP A 36 52.300 67.508 -38.196 1.00 0.00 C ATOM 590 CZ2 TRP A 36 51.359 69.590 -36.562 1.00 0.00 C ATOM 591 CZ3 TRP A 36 53.038 68.696 -38.063 1.00 0.00 C ATOM 592 CH2 TRP A 36 52.567 69.734 -37.247 1.00 0.00 C ATOM 0 H TRP A 36 50.337 64.510 -35.649 1.00 0.00 H new ATOM 0 HA TRP A 36 48.207 64.118 -37.663 1.00 0.00 H new ATOM 0 HB2 TRP A 36 51.169 64.561 -38.164 1.00 0.00 H new ATOM 0 HB3 TRP A 36 49.813 65.041 -39.166 1.00 0.00 H new ATOM 0 HD1 TRP A 36 48.245 66.121 -36.353 1.00 0.00 H new ATOM 0 HE1 TRP A 36 48.848 68.496 -35.535 1.00 0.00 H new ATOM 0 HE3 TRP A 36 52.670 66.714 -38.828 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 50.992 70.388 -35.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 53.973 68.810 -38.592 1.00 0.00 H new ATOM 0 HH2 TRP A 36 53.139 70.645 -37.148 1.00 0.00 H new ATOM 603 N TRP A 37 48.841 61.806 -38.502 1.00 0.00 N ATOM 604 CA TRP A 37 49.238 60.420 -38.878 1.00 0.00 C ATOM 605 C TRP A 37 49.245 60.285 -40.401 1.00 0.00 C ATOM 606 O TRP A 37 49.184 61.262 -41.118 1.00 0.00 O ATOM 607 CB TRP A 37 48.253 59.414 -38.272 1.00 0.00 C ATOM 608 CG TRP A 37 48.458 59.333 -36.791 1.00 0.00 C ATOM 609 CD1 TRP A 37 49.557 59.763 -36.132 1.00 0.00 C ATOM 610 CD2 TRP A 37 47.563 58.790 -35.778 1.00 0.00 C ATOM 611 NE1 TRP A 37 49.390 59.529 -34.780 1.00 0.00 N ATOM 612 CE2 TRP A 37 48.177 58.929 -34.512 1.00 0.00 C ATOM 613 CE3 TRP A 37 46.288 58.200 -35.834 1.00 0.00 C ATOM 614 CZ2 TRP A 37 47.551 58.497 -33.342 1.00 0.00 C ATOM 615 CZ3 TRP A 37 45.655 57.762 -34.659 1.00 0.00 C ATOM 616 CH2 TRP A 37 46.286 57.911 -33.417 1.00 0.00 C ATOM 0 H TRP A 37 47.932 62.115 -38.847 1.00 0.00 H new ATOM 0 HA TRP A 37 50.237 60.215 -38.493 1.00 0.00 H new ATOM 0 HB2 TRP A 37 47.229 59.717 -38.491 1.00 0.00 H new ATOM 0 HB3 TRP A 37 48.398 58.432 -38.723 1.00 0.00 H new ATOM 0 HD1 TRP A 37 50.425 60.216 -36.588 1.00 0.00 H new ATOM 0 HE1 TRP A 37 50.079 59.770 -34.068 1.00 0.00 H new ATOM 0 HE3 TRP A 37 45.792 58.083 -36.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 48.041 58.615 -32.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 44.677 57.308 -34.713 1.00 0.00 H new ATOM 0 HH2 TRP A 37 45.794 57.572 -32.517 1.00 0.00 H new ATOM 627 N ARG A 38 49.304 59.083 -40.897 1.00 0.00 N ATOM 628 CA ARG A 38 49.301 58.875 -42.370 1.00 0.00 C ATOM 629 C ARG A 38 48.149 57.938 -42.698 1.00 0.00 C ATOM 630 O ARG A 38 48.324 56.746 -42.857 1.00 0.00 O ATOM 631 CB ARG A 38 50.625 58.247 -42.808 1.00 0.00 C ATOM 632 CG ARG A 38 51.642 59.353 -43.100 1.00 0.00 C ATOM 633 CD ARG A 38 51.955 59.377 -44.597 1.00 0.00 C ATOM 634 NE ARG A 38 52.656 58.119 -44.979 1.00 0.00 N ATOM 635 CZ ARG A 38 52.036 57.217 -45.691 1.00 0.00 C ATOM 636 NH1 ARG A 38 51.467 57.554 -46.817 1.00 0.00 N ATOM 637 NH2 ARG A 38 51.987 55.980 -45.279 1.00 0.00 N ATOM 0 H ARG A 38 49.355 58.229 -40.341 1.00 0.00 H new ATOM 0 HA ARG A 38 49.183 59.824 -42.892 1.00 0.00 H new ATOM 0 HB2 ARG A 38 51.003 57.588 -42.027 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.473 57.634 -43.696 1.00 0.00 H new ATOM 0 HG2 ARG A 38 51.246 60.318 -42.785 1.00 0.00 H new ATOM 0 HG3 ARG A 38 52.555 59.182 -42.530 1.00 0.00 H new ATOM 0 HD2 ARG A 38 51.034 59.481 -45.170 1.00 0.00 H new ATOM 0 HD3 ARG A 38 52.578 60.239 -44.835 1.00 0.00 H new ATOM 0 HE ARG A 38 53.620 57.962 -44.684 1.00 0.00 H new ATOM 0 HH11 ARG A 38 51.507 58.521 -47.139 1.00 0.00 H new ATOM 0 HH12 ARG A 38 50.982 56.850 -47.374 1.00 0.00 H new ATOM 0 HH21 ARG A 38 52.433 55.717 -44.400 1.00 0.00 H new ATOM 0 HH22 ARG A 38 51.502 55.276 -45.836 1.00 0.00 H new ATOM 651 N ALA A 39 46.964 58.466 -42.760 1.00 0.00 N ATOM 652 CA ALA A 39 45.782 57.610 -43.030 1.00 0.00 C ATOM 653 C ALA A 39 45.244 57.871 -44.432 1.00 0.00 C ATOM 654 O ALA A 39 45.704 58.743 -45.134 1.00 0.00 O ATOM 655 CB ALA A 39 44.697 57.960 -42.011 1.00 0.00 C ATOM 0 H ALA A 39 46.762 59.458 -42.635 1.00 0.00 H new ATOM 0 HA ALA A 39 46.068 56.561 -42.953 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.817 57.342 -42.190 1.00 0.00 H new ATOM 0 HB2 ALA A 39 45.071 57.776 -41.004 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.429 59.012 -42.112 1.00 0.00 H new ATOM 661 N ARG A 40 44.250 57.130 -44.828 1.00 0.00 N ATOM 662 CA ARG A 40 43.640 57.337 -46.168 1.00 0.00 C ATOM 663 C ARG A 40 42.220 57.848 -45.945 1.00 0.00 C ATOM 664 O ARG A 40 41.325 57.096 -45.613 1.00 0.00 O ATOM 665 CB ARG A 40 43.606 56.009 -46.930 1.00 0.00 C ATOM 666 CG ARG A 40 43.068 56.242 -48.343 1.00 0.00 C ATOM 667 CD ARG A 40 43.811 55.336 -49.327 1.00 0.00 C ATOM 668 NE ARG A 40 43.026 54.088 -49.543 1.00 0.00 N ATOM 669 CZ ARG A 40 43.626 52.929 -49.535 1.00 0.00 C ATOM 670 NH1 ARG A 40 44.855 52.827 -49.966 1.00 0.00 N ATOM 671 NH2 ARG A 40 42.999 51.872 -49.096 1.00 0.00 N ATOM 0 H ARG A 40 43.830 56.383 -44.275 1.00 0.00 H new ATOM 0 HA ARG A 40 44.218 58.052 -46.754 1.00 0.00 H new ATOM 0 HB2 ARG A 40 44.607 55.579 -46.977 1.00 0.00 H new ATOM 0 HB3 ARG A 40 42.976 55.292 -46.404 1.00 0.00 H new ATOM 0 HG2 ARG A 40 41.999 56.033 -48.376 1.00 0.00 H new ATOM 0 HG3 ARG A 40 43.197 57.287 -48.625 1.00 0.00 H new ATOM 0 HD2 ARG A 40 43.959 55.854 -50.275 1.00 0.00 H new ATOM 0 HD3 ARG A 40 44.800 55.094 -48.939 1.00 0.00 H new ATOM 0 HE ARG A 40 42.019 54.140 -49.697 1.00 0.00 H new ATOM 0 HH11 ARG A 40 45.345 53.653 -50.309 1.00 0.00 H new ATOM 0 HH12 ARG A 40 45.324 51.921 -49.960 1.00 0.00 H new ATOM 0 HH21 ARG A 40 42.040 51.951 -48.759 1.00 0.00 H new ATOM 0 HH22 ARG A 40 43.468 50.966 -49.090 1.00 0.00 H new ATOM 685 N ASP A 41 42.010 59.125 -46.089 1.00 0.00 N ATOM 686 CA ASP A 41 40.650 59.678 -45.843 1.00 0.00 C ATOM 687 C ASP A 41 39.623 58.965 -46.722 1.00 0.00 C ATOM 688 O ASP A 41 39.943 58.047 -47.452 1.00 0.00 O ATOM 689 CB ASP A 41 40.636 61.178 -46.140 1.00 0.00 C ATOM 690 CG ASP A 41 40.970 61.413 -47.614 1.00 0.00 C ATOM 691 OD1 ASP A 41 40.994 60.446 -48.358 1.00 0.00 O ATOM 692 OD2 ASP A 41 41.198 62.557 -47.975 1.00 0.00 O ATOM 0 H ASP A 41 42.716 59.807 -46.365 1.00 0.00 H new ATOM 0 HA ASP A 41 40.390 59.518 -44.797 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.656 61.596 -45.908 1.00 0.00 H new ATOM 0 HB3 ASP A 41 41.360 61.691 -45.507 1.00 0.00 H new ATOM 697 N LYS A 42 38.386 59.376 -46.648 1.00 0.00 N ATOM 698 CA LYS A 42 37.328 58.720 -47.468 1.00 0.00 C ATOM 699 C LYS A 42 37.527 59.065 -48.945 1.00 0.00 C ATOM 700 O LYS A 42 36.826 58.572 -49.806 1.00 0.00 O ATOM 701 CB LYS A 42 35.952 59.212 -47.012 1.00 0.00 C ATOM 702 CG LYS A 42 35.081 58.012 -46.631 1.00 0.00 C ATOM 703 CD LYS A 42 33.605 58.403 -46.724 1.00 0.00 C ATOM 704 CE LYS A 42 32.737 57.241 -46.237 1.00 0.00 C ATOM 705 NZ LYS A 42 32.776 56.139 -47.239 1.00 0.00 N ATOM 0 H LYS A 42 38.062 60.139 -46.054 1.00 0.00 H new ATOM 0 HA LYS A 42 37.393 57.640 -47.339 1.00 0.00 H new ATOM 0 HB2 LYS A 42 36.058 59.883 -46.160 1.00 0.00 H new ATOM 0 HB3 LYS A 42 35.475 59.782 -47.809 1.00 0.00 H new ATOM 0 HG2 LYS A 42 35.288 57.173 -47.295 1.00 0.00 H new ATOM 0 HG3 LYS A 42 35.318 57.684 -45.619 1.00 0.00 H new ATOM 0 HD2 LYS A 42 33.414 59.291 -46.121 1.00 0.00 H new ATOM 0 HD3 LYS A 42 33.349 58.656 -47.753 1.00 0.00 H new ATOM 0 HE2 LYS A 42 33.097 56.883 -45.273 1.00 0.00 H new ATOM 0 HE3 LYS A 42 31.711 57.577 -46.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 32.038 55.441 -47.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 32.609 56.528 -48.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 33.708 55.678 -47.212 1.00 0.00 H new ATOM 719 N ASN A 43 38.480 59.903 -49.250 1.00 0.00 N ATOM 720 CA ASN A 43 38.719 60.266 -50.672 1.00 0.00 C ATOM 721 C ASN A 43 39.624 59.215 -51.315 1.00 0.00 C ATOM 722 O ASN A 43 40.137 59.402 -52.399 1.00 0.00 O ATOM 723 CB ASN A 43 39.396 61.637 -50.741 1.00 0.00 C ATOM 724 CG ASN A 43 38.542 62.666 -49.999 1.00 0.00 C ATOM 725 OD1 ASN A 43 37.352 62.766 -50.230 1.00 0.00 O ATOM 726 ND2 ASN A 43 39.100 63.438 -49.108 1.00 0.00 N ATOM 0 H ASN A 43 39.101 60.350 -48.576 1.00 0.00 H new ATOM 0 HA ASN A 43 37.769 60.305 -51.205 1.00 0.00 H new ATOM 0 HB2 ASN A 43 40.390 61.586 -50.297 1.00 0.00 H new ATOM 0 HB3 ASN A 43 39.526 61.938 -51.780 1.00 0.00 H new ATOM 0 HD21 ASN A 43 38.538 64.125 -48.605 1.00 0.00 H new ATOM 0 HD22 ASN A 43 40.098 63.354 -48.914 1.00 0.00 H new ATOM 733 N GLY A 44 39.826 58.108 -50.652 1.00 0.00 N ATOM 734 CA GLY A 44 40.701 57.048 -51.223 1.00 0.00 C ATOM 735 C GLY A 44 42.086 57.636 -51.474 1.00 0.00 C ATOM 736 O GLY A 44 42.651 57.489 -52.541 1.00 0.00 O ATOM 0 H GLY A 44 39.422 57.894 -49.740 1.00 0.00 H new ATOM 0 HA2 GLY A 44 40.768 56.204 -50.537 1.00 0.00 H new ATOM 0 HA3 GLY A 44 40.277 56.670 -52.153 1.00 0.00 H new ATOM 740 N GLN A 45 42.637 58.309 -50.502 1.00 0.00 N ATOM 741 CA GLN A 45 43.978 58.911 -50.686 1.00 0.00 C ATOM 742 C GLN A 45 44.705 58.931 -49.344 1.00 0.00 C ATOM 743 O GLN A 45 44.181 59.398 -48.349 1.00 0.00 O ATOM 744 CB GLN A 45 43.820 60.340 -51.204 1.00 0.00 C ATOM 745 CG GLN A 45 44.820 60.587 -52.335 1.00 0.00 C ATOM 746 CD GLN A 45 45.568 61.896 -52.081 1.00 0.00 C ATOM 747 OE1 GLN A 45 46.638 61.896 -51.505 1.00 0.00 O ATOM 748 NE2 GLN A 45 45.046 63.021 -52.489 1.00 0.00 N ATOM 0 H GLN A 45 42.212 58.466 -49.588 1.00 0.00 H new ATOM 0 HA GLN A 45 44.553 58.326 -51.404 1.00 0.00 H new ATOM 0 HB2 GLN A 45 42.803 60.498 -51.563 1.00 0.00 H new ATOM 0 HB3 GLN A 45 43.986 61.052 -50.395 1.00 0.00 H new ATOM 0 HG2 GLN A 45 45.526 59.759 -52.397 1.00 0.00 H new ATOM 0 HG3 GLN A 45 44.299 60.634 -53.291 1.00 0.00 H new ATOM 0 HE21 GLN A 45 44.148 63.021 -52.972 1.00 0.00 H new ATOM 0 HE22 GLN A 45 45.536 63.900 -52.324 1.00 0.00 H new ATOM 757 N GLU A 46 45.905 58.424 -49.309 1.00 0.00 N ATOM 758 CA GLU A 46 46.671 58.414 -48.036 1.00 0.00 C ATOM 759 C GLU A 46 47.330 59.778 -47.851 1.00 0.00 C ATOM 760 O GLU A 46 47.867 60.349 -48.779 1.00 0.00 O ATOM 761 CB GLU A 46 47.738 57.320 -48.098 1.00 0.00 C ATOM 762 CG GLU A 46 47.121 56.054 -48.697 1.00 0.00 C ATOM 763 CD GLU A 46 48.206 54.988 -48.870 1.00 0.00 C ATOM 764 OE1 GLU A 46 48.917 55.050 -49.860 1.00 0.00 O ATOM 765 OE2 GLU A 46 48.307 54.129 -48.011 1.00 0.00 O ATOM 0 H GLU A 46 46.388 58.016 -50.109 1.00 0.00 H new ATOM 0 HA GLU A 46 46.006 58.213 -47.196 1.00 0.00 H new ATOM 0 HB2 GLU A 46 48.581 57.651 -48.704 1.00 0.00 H new ATOM 0 HB3 GLU A 46 48.124 57.114 -47.100 1.00 0.00 H new ATOM 0 HG2 GLU A 46 46.330 55.680 -48.047 1.00 0.00 H new ATOM 0 HG3 GLU A 46 46.663 56.281 -49.660 1.00 0.00 H new ATOM 772 N GLY A 47 47.279 60.317 -46.666 1.00 0.00 N ATOM 773 CA GLY A 47 47.886 61.653 -46.441 1.00 0.00 C ATOM 774 C GLY A 47 48.037 61.914 -44.944 1.00 0.00 C ATOM 775 O GLY A 47 47.986 61.008 -44.131 1.00 0.00 O ATOM 0 H GLY A 47 46.845 59.891 -45.848 1.00 0.00 H new ATOM 0 HA2 GLY A 47 48.860 61.705 -46.927 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.263 62.425 -46.892 1.00 0.00 H new ATOM 779 N TYR A 48 48.222 63.151 -44.577 1.00 0.00 N ATOM 780 CA TYR A 48 48.383 63.488 -43.140 1.00 0.00 C ATOM 781 C TYR A 48 47.012 63.840 -42.549 1.00 0.00 C ATOM 782 O TYR A 48 46.210 64.520 -43.157 1.00 0.00 O ATOM 783 CB TYR A 48 49.394 64.652 -43.012 1.00 0.00 C ATOM 784 CG TYR A 48 48.869 65.783 -42.146 1.00 0.00 C ATOM 785 CD1 TYR A 48 48.383 65.527 -40.859 1.00 0.00 C ATOM 786 CD2 TYR A 48 48.881 67.093 -42.638 1.00 0.00 C ATOM 787 CE1 TYR A 48 47.907 66.577 -40.066 1.00 0.00 C ATOM 788 CE2 TYR A 48 48.405 68.144 -41.846 1.00 0.00 C ATOM 789 CZ TYR A 48 47.918 67.886 -40.559 1.00 0.00 C ATOM 790 OH TYR A 48 47.449 68.923 -39.778 1.00 0.00 O ATOM 0 H TYR A 48 48.268 63.945 -45.215 1.00 0.00 H new ATOM 0 HA TYR A 48 48.775 62.640 -42.578 1.00 0.00 H new ATOM 0 HB2 TYR A 48 50.325 64.276 -42.588 1.00 0.00 H new ATOM 0 HB3 TYR A 48 49.628 65.037 -44.005 1.00 0.00 H new ATOM 0 HD1 TYR A 48 48.375 64.517 -40.477 1.00 0.00 H new ATOM 0 HD2 TYR A 48 49.258 67.293 -43.630 1.00 0.00 H new ATOM 0 HE1 TYR A 48 47.531 66.377 -39.073 1.00 0.00 H new ATOM 0 HE2 TYR A 48 48.413 69.154 -42.228 1.00 0.00 H new ATOM 0 HH TYR A 48 47.529 69.766 -40.271 1.00 0.00 H new ATOM 800 N ILE A 49 46.747 63.368 -41.363 1.00 0.00 N ATOM 801 CA ILE A 49 45.441 63.651 -40.706 1.00 0.00 C ATOM 802 C ILE A 49 45.706 63.969 -39.222 1.00 0.00 C ATOM 803 O ILE A 49 46.124 63.105 -38.477 1.00 0.00 O ATOM 804 CB ILE A 49 44.564 62.412 -40.836 1.00 0.00 C ATOM 805 CG1 ILE A 49 44.117 62.250 -42.288 1.00 0.00 C ATOM 806 CG2 ILE A 49 43.336 62.515 -39.928 1.00 0.00 C ATOM 807 CD1 ILE A 49 45.293 61.714 -43.102 1.00 0.00 C ATOM 0 H ILE A 49 47.387 62.792 -40.815 1.00 0.00 H new ATOM 0 HA ILE A 49 44.937 64.499 -41.171 1.00 0.00 H new ATOM 0 HB ILE A 49 45.147 61.543 -40.531 1.00 0.00 H new ATOM 0 HG12 ILE A 49 43.271 61.565 -42.349 1.00 0.00 H new ATOM 0 HG13 ILE A 49 43.783 63.206 -42.690 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.726 61.619 -40.039 1.00 0.00 H new ATOM 0 HG22 ILE A 49 43.657 62.609 -38.891 1.00 0.00 H new ATOM 0 HG23 ILE A 49 42.749 63.390 -40.207 1.00 0.00 H new ATOM 0 HD11 ILE A 49 44.990 61.592 -44.142 1.00 0.00 H new ATOM 0 HD12 ILE A 49 46.125 62.416 -43.046 1.00 0.00 H new ATOM 0 HD13 ILE A 49 45.605 60.750 -42.700 1.00 0.00 H new ATOM 819 N PRO A 50 45.494 65.209 -38.847 1.00 0.00 N ATOM 820 CA PRO A 50 45.744 65.682 -37.467 1.00 0.00 C ATOM 821 C PRO A 50 44.652 65.233 -36.492 1.00 0.00 C ATOM 822 O PRO A 50 43.477 65.276 -36.794 1.00 0.00 O ATOM 823 CB PRO A 50 45.752 67.207 -37.608 1.00 0.00 C ATOM 824 CG PRO A 50 44.961 67.531 -38.897 1.00 0.00 C ATOM 825 CD PRO A 50 44.978 66.253 -39.756 1.00 0.00 C ATOM 0 HA PRO A 50 46.670 65.278 -37.058 1.00 0.00 H new ATOM 0 HB2 PRO A 50 45.291 67.680 -36.741 1.00 0.00 H new ATOM 0 HB3 PRO A 50 46.772 67.586 -37.673 1.00 0.00 H new ATOM 0 HG2 PRO A 50 43.939 67.825 -38.661 1.00 0.00 H new ATOM 0 HG3 PRO A 50 45.417 68.364 -39.432 1.00 0.00 H new ATOM 0 HD2 PRO A 50 43.981 66.006 -40.121 1.00 0.00 H new ATOM 0 HD3 PRO A 50 45.617 66.370 -40.631 1.00 0.00 H new ATOM 832 N SER A 51 45.047 64.815 -35.314 1.00 0.00 N ATOM 833 CA SER A 51 44.058 64.371 -34.293 1.00 0.00 C ATOM 834 C SER A 51 43.532 65.588 -33.525 1.00 0.00 C ATOM 835 O SER A 51 42.477 65.549 -32.924 1.00 0.00 O ATOM 836 CB SER A 51 44.740 63.423 -33.312 1.00 0.00 C ATOM 837 OG SER A 51 45.111 62.230 -33.990 1.00 0.00 O ATOM 0 H SER A 51 46.022 64.763 -35.017 1.00 0.00 H new ATOM 0 HA SER A 51 43.230 63.863 -34.788 1.00 0.00 H new ATOM 0 HB2 SER A 51 45.621 63.899 -32.882 1.00 0.00 H new ATOM 0 HB3 SER A 51 44.068 63.191 -32.486 1.00 0.00 H new ATOM 0 HG SER A 51 45.899 62.402 -34.547 1.00 0.00 H new ATOM 843 N ASN A 52 44.270 66.666 -33.531 1.00 0.00 N ATOM 844 CA ASN A 52 43.833 67.887 -32.792 1.00 0.00 C ATOM 845 C ASN A 52 42.437 68.318 -33.246 1.00 0.00 C ATOM 846 O ASN A 52 41.741 69.026 -32.545 1.00 0.00 O ATOM 847 CB ASN A 52 44.824 69.022 -33.060 1.00 0.00 C ATOM 848 CG ASN A 52 45.250 68.993 -34.529 1.00 0.00 C ATOM 849 OD1 ASN A 52 44.483 69.345 -35.404 1.00 0.00 O ATOM 850 ND2 ASN A 52 46.449 68.584 -34.840 1.00 0.00 N ATOM 0 H ASN A 52 45.162 66.754 -34.019 1.00 0.00 H new ATOM 0 HA ASN A 52 43.802 67.661 -31.726 1.00 0.00 H new ATOM 0 HB2 ASN A 52 44.366 69.982 -32.822 1.00 0.00 H new ATOM 0 HB3 ASN A 52 45.697 68.917 -32.415 1.00 0.00 H new ATOM 0 HD21 ASN A 52 46.742 68.560 -35.817 1.00 0.00 H new ATOM 0 HD22 ASN A 52 47.093 68.288 -34.107 1.00 0.00 H new ATOM 857 N TYR A 53 42.018 67.906 -34.410 1.00 0.00 N ATOM 858 CA TYR A 53 40.662 68.308 -34.892 1.00 0.00 C ATOM 859 C TYR A 53 39.784 67.064 -35.023 1.00 0.00 C ATOM 860 O TYR A 53 38.787 66.922 -34.349 1.00 0.00 O ATOM 861 CB TYR A 53 40.787 68.989 -36.255 1.00 0.00 C ATOM 862 CG TYR A 53 41.754 70.146 -36.152 1.00 0.00 C ATOM 863 CD1 TYR A 53 41.761 70.954 -35.009 1.00 0.00 C ATOM 864 CD2 TYR A 53 42.644 70.409 -37.200 1.00 0.00 C ATOM 865 CE1 TYR A 53 42.658 72.024 -34.912 1.00 0.00 C ATOM 866 CE2 TYR A 53 43.541 71.481 -37.104 1.00 0.00 C ATOM 867 CZ TYR A 53 43.548 72.288 -35.961 1.00 0.00 C ATOM 868 OH TYR A 53 44.432 73.343 -35.866 1.00 0.00 O ATOM 0 H TYR A 53 42.550 67.312 -35.046 1.00 0.00 H new ATOM 0 HA TYR A 53 40.212 69.000 -34.181 1.00 0.00 H new ATOM 0 HB2 TYR A 53 41.136 68.274 -37.000 1.00 0.00 H new ATOM 0 HB3 TYR A 53 39.812 69.345 -36.587 1.00 0.00 H new ATOM 0 HD1 TYR A 53 41.073 70.752 -34.201 1.00 0.00 H new ATOM 0 HD2 TYR A 53 42.639 69.786 -38.082 1.00 0.00 H new ATOM 0 HE1 TYR A 53 42.664 72.646 -34.029 1.00 0.00 H new ATOM 0 HE2 TYR A 53 44.227 71.685 -37.913 1.00 0.00 H new ATOM 0 HH TYR A 53 44.979 73.386 -36.678 1.00 0.00 H new ATOM 878 N VAL A 54 40.169 66.167 -35.881 1.00 0.00 N ATOM 879 CA VAL A 54 39.407 64.899 -36.084 1.00 0.00 C ATOM 880 C VAL A 54 39.230 64.188 -34.748 1.00 0.00 C ATOM 881 O VAL A 54 39.182 64.795 -33.700 1.00 0.00 O ATOM 882 CB VAL A 54 40.241 64.020 -37.006 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.666 64.840 -38.218 1.00 0.00 C ATOM 884 CG2 VAL A 54 41.476 63.575 -36.240 1.00 0.00 C ATOM 0 H VAL A 54 40.999 66.258 -36.466 1.00 0.00 H new ATOM 0 HA VAL A 54 38.424 65.102 -36.509 1.00 0.00 H new ATOM 0 HB VAL A 54 39.668 63.154 -37.337 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.264 64.220 -38.885 1.00 0.00 H new ATOM 0 HG12 VAL A 54 39.781 65.193 -38.747 1.00 0.00 H new ATOM 0 HG13 VAL A 54 41.257 65.695 -37.890 1.00 0.00 H new ATOM 0 HG21 VAL A 54 42.092 62.942 -36.879 1.00 0.00 H new ATOM 0 HG22 VAL A 54 42.049 64.450 -35.934 1.00 0.00 H new ATOM 0 HG23 VAL A 54 41.173 63.013 -35.357 1.00 0.00 H new ATOM 894 N THR A 55 39.134 62.897 -34.779 1.00 0.00 N ATOM 895 CA THR A 55 38.961 62.164 -33.510 1.00 0.00 C ATOM 896 C THR A 55 39.183 60.663 -33.724 1.00 0.00 C ATOM 897 O THR A 55 40.143 60.274 -34.351 1.00 0.00 O ATOM 898 CB THR A 55 37.565 62.467 -32.982 1.00 0.00 C ATOM 899 OG1 THR A 55 37.444 62.007 -31.644 1.00 0.00 O ATOM 900 CG2 THR A 55 36.510 61.800 -33.861 1.00 0.00 C ATOM 0 H THR A 55 39.168 62.322 -35.621 1.00 0.00 H new ATOM 0 HA THR A 55 39.699 62.484 -32.774 1.00 0.00 H new ATOM 0 HB THR A 55 37.407 63.545 -33.004 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.545 62.206 -31.310 1.00 0.00 H new ATOM 0 HG21 THR A 55 35.517 62.025 -33.472 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.594 62.177 -34.880 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.664 60.721 -33.859 1.00 0.00 H new ATOM 908 N GLU A 56 38.330 59.819 -33.192 1.00 0.00 N ATOM 909 CA GLU A 56 38.536 58.343 -33.343 1.00 0.00 C ATOM 910 C GLU A 56 40.036 58.039 -33.225 1.00 0.00 C ATOM 911 O GLU A 56 40.655 58.367 -32.234 1.00 0.00 O ATOM 912 CB GLU A 56 37.979 57.859 -34.684 1.00 0.00 C ATOM 913 CG GLU A 56 36.454 57.971 -34.674 1.00 0.00 C ATOM 914 CD GLU A 56 35.874 56.971 -33.673 1.00 0.00 C ATOM 915 OE1 GLU A 56 35.897 57.267 -32.489 1.00 0.00 O ATOM 916 OE2 GLU A 56 35.419 55.926 -34.106 1.00 0.00 O ATOM 0 H GLU A 56 37.502 60.088 -32.661 1.00 0.00 H new ATOM 0 HA GLU A 56 38.000 57.812 -32.556 1.00 0.00 H new ATOM 0 HB2 GLU A 56 38.393 58.455 -35.498 1.00 0.00 H new ATOM 0 HB3 GLU A 56 38.277 56.826 -34.862 1.00 0.00 H new ATOM 0 HG2 GLU A 56 36.155 58.984 -34.406 1.00 0.00 H new ATOM 0 HG3 GLU A 56 36.058 57.775 -35.670 1.00 0.00 H new ATOM 923 N ALA A 57 40.639 57.433 -34.214 1.00 0.00 N ATOM 924 CA ALA A 57 42.099 57.148 -34.115 1.00 0.00 C ATOM 925 C ALA A 57 42.849 58.452 -33.819 1.00 0.00 C ATOM 926 O ALA A 57 43.269 59.155 -34.717 1.00 0.00 O ATOM 927 CB ALA A 57 42.596 56.566 -35.439 1.00 0.00 C ATOM 0 H ALA A 57 40.189 57.126 -35.077 1.00 0.00 H new ATOM 0 HA ALA A 57 42.278 56.431 -33.314 1.00 0.00 H new ATOM 0 HB1 ALA A 57 43.663 56.358 -35.367 1.00 0.00 H new ATOM 0 HB2 ALA A 57 42.060 55.642 -35.654 1.00 0.00 H new ATOM 0 HB3 ALA A 57 42.420 57.283 -36.241 1.00 0.00 H new ATOM 933 N GLU A 58 43.017 58.782 -32.567 1.00 0.00 N ATOM 934 CA GLU A 58 43.735 60.041 -32.208 1.00 0.00 C ATOM 935 C GLU A 58 45.099 59.694 -31.606 1.00 0.00 C ATOM 936 O GLU A 58 46.070 60.324 -31.989 1.00 0.00 O ATOM 937 CB GLU A 58 42.903 60.819 -31.182 1.00 0.00 C ATOM 938 CG GLU A 58 43.765 61.906 -30.536 1.00 0.00 C ATOM 939 CD GLU A 58 42.965 63.206 -30.440 1.00 0.00 C ATOM 940 OE1 GLU A 58 41.901 63.270 -31.036 1.00 0.00 O ATOM 941 OE2 GLU A 58 43.428 64.115 -29.771 1.00 0.00 O ATOM 942 OXT GLU A 58 45.147 58.805 -30.773 1.00 0.00 O ATOM 0 H GLU A 58 42.687 58.232 -31.774 1.00 0.00 H new ATOM 0 HA GLU A 58 43.879 60.651 -33.100 1.00 0.00 H new ATOM 0 HB2 GLU A 58 42.037 61.269 -31.668 1.00 0.00 H new ATOM 0 HB3 GLU A 58 42.523 60.141 -30.418 1.00 0.00 H new ATOM 0 HG2 GLU A 58 44.084 61.589 -29.543 1.00 0.00 H new ATOM 0 HG3 GLU A 58 44.668 62.066 -31.125 1.00 0.00 H new TER 949 GLU A 58