USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 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 6 LYS NZ :NH3+ -154:sc= 1.33 (180deg=0) USER MOD Set 1.2: A 68 HIS : no HD1:sc= 1.06 K(o=2.4,f=-7.9!) USER MOD Set 2.1: A 55 THR OG1 : rot 132:sc= 1.43 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 1.06 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= 0.782 (180deg=0.717) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.361 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.1) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.934 K(o=0.93,f=-0.026) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 29 LYS NZ :NH3+ 158:sc= 1.28 (180deg=0.858) USER MOD Single : A 31 GLN : amide:sc= -0.0272 K(o=-0.027,f=-0.78) USER MOD Single : A 33 LYS NZ :NH3+ 151:sc= 1.27 (180deg=1.12) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.39 K(o=1.4,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.942 K(o=0.94,f=-4.9!) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.32 USER MOD Single : A 60 ASN : amide:sc= -0.276 X(o=-0.28,f=-0.54) USER MOD Single : A 62 GLN : amide:sc= 0.785 K(o=0.79,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 80:sc= 1.21 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.372 51.873 19.994 1.00 0.00 N ATOM 2 CA MET A 1 32.874 52.245 21.326 1.00 0.00 C ATOM 3 C MET A 1 34.353 52.625 21.250 1.00 0.00 C ATOM 4 O MET A 1 35.026 52.272 20.284 1.00 0.00 O ATOM 5 CB MET A 1 32.627 51.150 22.360 1.00 0.00 C ATOM 6 CG MET A 1 33.432 49.876 22.123 1.00 0.00 C ATOM 7 SD MET A 1 33.157 48.596 23.373 1.00 0.00 S ATOM 8 CE MET A 1 34.330 47.342 22.799 1.00 0.00 C ATOM 0 H1 MET A 1 31.437 51.427 20.087 1.00 0.00 H new ATOM 0 H2 MET A 1 32.292 52.725 19.403 1.00 0.00 H new ATOM 0 H3 MET A 1 33.032 51.204 19.549 1.00 0.00 H new ATOM 0 HA MET A 1 32.313 53.117 21.661 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.866 51.539 23.350 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.566 50.901 22.363 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.178 49.474 21.142 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.493 50.126 22.100 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.291 46.477 23.461 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.069 47.036 21.786 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.338 47.757 22.804 1.00 0.00 H new ATOM 20 N GLN A 2 34.882 53.275 22.284 1.00 0.00 N ATOM 21 CA GLN A 2 36.293 53.552 22.456 1.00 0.00 C ATOM 22 C GLN A 2 36.851 52.802 23.667 1.00 0.00 C ATOM 23 O GLN A 2 36.156 52.615 24.663 1.00 0.00 O ATOM 24 CB GLN A 2 36.509 55.060 22.545 1.00 0.00 C ATOM 25 CG GLN A 2 37.979 55.461 22.453 1.00 0.00 C ATOM 26 CD GLN A 2 38.141 56.977 22.332 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.335 57.516 21.244 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.065 57.721 23.431 1.00 0.00 N ATOM 0 H GLN A 2 34.312 53.634 23.050 1.00 0.00 H new ATOM 0 HA GLN A 2 36.847 53.189 21.590 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.955 55.548 21.744 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.097 55.425 23.486 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.510 55.107 23.337 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.436 54.975 21.591 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.904 57.279 24.336 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.167 58.734 23.369 1.00 0.00 H new ATOM 37 N ILE A 3 38.108 52.375 23.579 1.00 0.00 N ATOM 38 CA ILE A 3 38.868 51.753 24.644 1.00 0.00 C ATOM 39 C ILE A 3 40.258 52.385 24.746 1.00 0.00 C ATOM 40 O ILE A 3 40.740 53.000 23.797 1.00 0.00 O ATOM 41 CB ILE A 3 38.951 50.239 24.477 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.630 49.813 23.178 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.567 49.616 24.633 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.876 48.312 23.064 1.00 0.00 C ATOM 0 H ILE A 3 38.646 52.461 22.716 1.00 0.00 H new ATOM 0 HA ILE A 3 38.341 51.934 25.581 1.00 0.00 H new ATOM 0 HB ILE A 3 39.593 49.860 25.272 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.015 50.134 22.337 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.584 50.334 23.092 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.639 48.535 24.512 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.175 49.845 25.624 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.897 50.022 23.875 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.361 48.094 22.113 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.518 47.985 23.882 1.00 0.00 H new ATOM 0 HD13 ILE A 3 38.925 47.782 23.116 1.00 0.00 H new ATOM 56 N PHE A 4 40.922 52.200 25.883 1.00 0.00 N ATOM 57 CA PHE A 4 42.291 52.617 26.111 1.00 0.00 C ATOM 58 C PHE A 4 43.254 51.432 26.009 1.00 0.00 C ATOM 59 O PHE A 4 42.918 50.303 26.358 1.00 0.00 O ATOM 60 CB PHE A 4 42.420 53.290 27.476 1.00 0.00 C ATOM 61 CG PHE A 4 41.492 54.451 27.740 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.741 55.700 27.159 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.414 54.302 28.621 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.922 56.795 27.460 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.599 55.397 28.932 1.00 0.00 C ATOM 66 CZ PHE A 4 39.858 56.647 28.359 1.00 0.00 C ATOM 0 H PHE A 4 40.504 51.741 26.693 1.00 0.00 H new ATOM 0 HA PHE A 4 42.558 53.336 25.336 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.253 52.537 28.246 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.446 53.640 27.589 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.569 55.820 26.475 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.210 53.338 29.063 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.111 57.753 26.999 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.770 55.277 29.614 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.239 57.496 28.609 1.00 0.00 H new ATOM 76 N VAL A 5 44.494 51.698 25.609 1.00 0.00 N ATOM 77 CA VAL A 5 45.604 50.775 25.746 1.00 0.00 C ATOM 78 C VAL A 5 46.779 51.498 26.405 1.00 0.00 C ATOM 79 O VAL A 5 47.133 52.596 25.981 1.00 0.00 O ATOM 80 CB VAL A 5 45.998 50.125 24.423 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.075 49.065 24.627 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.813 49.450 23.737 1.00 0.00 C ATOM 0 H VAL A 5 44.755 52.582 25.172 1.00 0.00 H new ATOM 0 HA VAL A 5 45.289 49.951 26.386 1.00 0.00 H new ATOM 0 HB VAL A 5 46.371 50.934 23.796 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.334 48.620 23.666 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.961 49.526 25.065 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.701 48.290 25.296 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.142 49.002 22.800 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.409 48.675 24.388 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.040 50.191 23.533 1.00 0.00 H new ATOM 92 N LYS A 6 47.363 50.890 27.434 1.00 0.00 N ATOM 93 CA LYS A 6 48.438 51.421 28.247 1.00 0.00 C ATOM 94 C LYS A 6 49.650 50.487 28.210 1.00 0.00 C ATOM 95 O LYS A 6 49.478 49.272 28.291 1.00 0.00 O ATOM 96 CB LYS A 6 47.887 51.721 29.637 1.00 0.00 C ATOM 97 CG LYS A 6 48.853 51.664 30.817 1.00 0.00 C ATOM 98 CD LYS A 6 48.874 50.270 31.441 1.00 0.00 C ATOM 99 CE LYS A 6 49.908 50.136 32.554 1.00 0.00 C ATOM 100 NZ LYS A 6 50.015 48.738 32.999 1.00 0.00 N ATOM 0 H LYS A 6 47.077 49.958 27.735 1.00 0.00 H new ATOM 0 HA LYS A 6 48.815 52.365 27.853 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.446 52.718 29.614 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.077 51.019 29.834 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.856 51.932 30.484 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.559 52.398 31.568 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.886 50.041 31.840 1.00 0.00 H new ATOM 0 HD3 LYS A 6 49.084 49.533 30.666 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.878 50.485 32.200 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.628 50.770 33.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.348 48.712 33.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 49.083 48.281 32.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 50.690 48.231 32.392 1.00 0.00 H new ATOM 114 N THR A 7 50.860 51.024 28.092 1.00 0.00 N ATOM 115 CA THR A 7 52.095 50.267 28.106 1.00 0.00 C ATOM 116 C THR A 7 52.709 50.144 29.502 1.00 0.00 C ATOM 117 O THR A 7 52.423 50.949 30.388 1.00 0.00 O ATOM 118 CB THR A 7 53.123 50.842 27.137 1.00 0.00 C ATOM 119 OG1 THR A 7 53.519 52.137 27.531 1.00 0.00 O ATOM 120 CG2 THR A 7 52.594 50.938 25.708 1.00 0.00 C ATOM 0 H THR A 7 51.007 52.027 27.981 1.00 0.00 H new ATOM 0 HA THR A 7 51.822 49.264 27.778 1.00 0.00 H new ATOM 0 HB THR A 7 53.967 50.153 27.161 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.179 52.485 26.896 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.367 51.354 25.061 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.320 49.944 25.354 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.717 51.585 25.687 1.00 0.00 H new ATOM 128 N LEU A 8 53.616 49.192 29.695 1.00 0.00 N ATOM 129 CA LEU A 8 54.438 49.063 30.881 1.00 0.00 C ATOM 130 C LEU A 8 55.233 50.340 31.154 1.00 0.00 C ATOM 131 O LEU A 8 55.210 50.852 32.271 1.00 0.00 O ATOM 132 CB LEU A 8 55.307 47.821 30.697 1.00 0.00 C ATOM 133 CG LEU A 8 56.063 47.314 31.922 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.539 45.888 31.657 1.00 0.00 C ATOM 135 CD2 LEU A 8 57.309 48.126 32.258 1.00 0.00 C ATOM 0 H LEU A 8 53.801 48.466 29.002 1.00 0.00 H new ATOM 0 HA LEU A 8 53.826 48.933 31.773 1.00 0.00 H new ATOM 0 HB2 LEU A 8 54.671 47.014 30.334 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.035 48.030 29.913 1.00 0.00 H new ATOM 0 HG LEU A 8 55.364 47.390 32.755 1.00 0.00 H new ATOM 0 HD11 LEU A 8 57.080 45.517 32.527 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.679 45.247 31.465 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.198 45.880 30.789 1.00 0.00 H new ATOM 0 HD21 LEU A 8 57.791 47.704 33.140 1.00 0.00 H new ATOM 0 HD22 LEU A 8 58.001 48.095 31.416 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.027 49.160 32.458 1.00 0.00 H new ATOM 147 N THR A 9 55.825 50.928 30.118 1.00 0.00 N ATOM 148 CA THR A 9 56.551 52.181 30.154 1.00 0.00 C ATOM 149 C THR A 9 55.650 53.411 30.280 1.00 0.00 C ATOM 150 O THR A 9 56.142 54.518 30.490 1.00 0.00 O ATOM 151 CB THR A 9 57.488 52.266 28.951 1.00 0.00 C ATOM 152 OG1 THR A 9 58.288 51.107 28.896 1.00 0.00 O ATOM 153 CG2 THR A 9 58.461 53.441 28.935 1.00 0.00 C ATOM 0 H THR A 9 55.807 50.517 29.185 1.00 0.00 H new ATOM 0 HA THR A 9 57.147 52.188 31.067 1.00 0.00 H new ATOM 0 HB THR A 9 56.811 52.389 28.106 1.00 0.00 H new ATOM 0 HG1 THR A 9 58.888 51.160 28.123 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.073 53.395 28.034 1.00 0.00 H new ATOM 0 HG22 THR A 9 57.902 54.377 28.946 1.00 0.00 H new ATOM 0 HG23 THR A 9 59.105 53.392 29.813 1.00 0.00 H new ATOM 161 N GLY A 10 54.331 53.247 30.251 1.00 0.00 N ATOM 162 CA GLY A 10 53.377 54.230 30.724 1.00 0.00 C ATOM 163 C GLY A 10 52.862 55.235 29.692 1.00 0.00 C ATOM 164 O GLY A 10 52.396 56.300 30.091 1.00 0.00 O ATOM 0 H GLY A 10 53.890 52.402 29.887 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.520 53.701 31.141 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.837 54.786 31.541 1.00 0.00 H new ATOM 168 N LYS A 11 52.900 54.919 28.400 1.00 0.00 N ATOM 169 CA LYS A 11 52.198 55.654 27.367 1.00 0.00 C ATOM 170 C LYS A 11 50.781 55.094 27.217 1.00 0.00 C ATOM 171 O LYS A 11 50.620 53.877 27.211 1.00 0.00 O ATOM 172 CB LYS A 11 53.009 55.605 26.076 1.00 0.00 C ATOM 173 CG LYS A 11 52.518 56.572 25.003 1.00 0.00 C ATOM 174 CD LYS A 11 53.446 56.579 23.792 1.00 0.00 C ATOM 175 CE LYS A 11 53.138 57.661 22.761 1.00 0.00 C ATOM 176 NZ LYS A 11 51.877 57.431 22.037 1.00 0.00 N ATOM 0 H LYS A 11 53.433 54.127 28.041 1.00 0.00 H new ATOM 0 HA LYS A 11 52.093 56.705 27.636 1.00 0.00 H new ATOM 0 HB2 LYS A 11 54.051 55.829 26.304 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.980 54.591 25.678 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.512 56.291 24.691 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.453 57.577 25.419 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.472 56.707 24.138 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.393 55.606 23.304 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.091 58.628 23.262 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.957 57.714 22.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.758 58.161 21.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.900 56.493 21.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 51.080 57.476 22.704 1.00 0.00 H new ATOM 190 N THR A 12 49.773 55.953 27.085 1.00 0.00 N ATOM 191 CA THR A 12 48.388 55.557 26.934 1.00 0.00 C ATOM 192 C THR A 12 47.798 56.100 25.631 1.00 0.00 C ATOM 193 O THR A 12 47.895 57.295 25.359 1.00 0.00 O ATOM 194 CB THR A 12 47.522 55.965 28.122 1.00 0.00 C ATOM 195 OG1 THR A 12 48.054 55.453 29.323 1.00 0.00 O ATOM 196 CG2 THR A 12 46.101 55.415 28.039 1.00 0.00 C ATOM 0 H THR A 12 49.906 56.964 27.081 1.00 0.00 H new ATOM 0 HA THR A 12 48.384 54.468 26.896 1.00 0.00 H new ATOM 0 HB THR A 12 47.507 57.055 28.101 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.487 55.726 30.074 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.534 55.739 28.912 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.619 55.787 27.135 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.133 54.326 28.011 1.00 0.00 H new ATOM 204 N ILE A 13 47.166 55.238 24.840 1.00 0.00 N ATOM 205 CA ILE A 13 46.532 55.527 23.569 1.00 0.00 C ATOM 206 C ILE A 13 45.043 55.175 23.598 1.00 0.00 C ATOM 207 O ILE A 13 44.610 54.376 24.426 1.00 0.00 O ATOM 208 CB ILE A 13 47.246 54.820 22.421 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.235 53.301 22.571 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.656 55.381 22.260 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.809 52.536 21.382 1.00 0.00 C ATOM 0 H ILE A 13 47.081 54.253 25.092 1.00 0.00 H new ATOM 0 HA ILE A 13 46.613 56.600 23.397 1.00 0.00 H new ATOM 0 HB ILE A 13 46.693 55.022 21.503 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.800 53.034 23.464 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.208 52.974 22.734 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.159 54.871 21.438 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.601 56.448 22.045 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.217 55.225 23.181 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.759 51.465 21.580 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.231 52.767 20.487 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.848 52.828 21.228 1.00 0.00 H new ATOM 223 N THR A 14 44.271 55.725 22.666 1.00 0.00 N ATOM 224 CA THR A 14 42.875 55.395 22.454 1.00 0.00 C ATOM 225 C THR A 14 42.699 54.580 21.172 1.00 0.00 C ATOM 226 O THR A 14 43.339 54.880 20.167 1.00 0.00 O ATOM 227 CB THR A 14 41.996 56.642 22.390 1.00 0.00 C ATOM 228 OG1 THR A 14 42.502 57.584 21.471 1.00 0.00 O ATOM 229 CG2 THR A 14 41.881 57.339 23.742 1.00 0.00 C ATOM 0 H THR A 14 44.615 56.435 22.019 1.00 0.00 H new ATOM 0 HA THR A 14 42.558 54.799 23.310 1.00 0.00 H new ATOM 0 HB THR A 14 41.014 56.290 22.074 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.916 58.370 21.452 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.246 58.220 23.645 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.443 56.654 24.468 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.872 57.642 24.081 1.00 0.00 H new ATOM 237 N LEU A 15 41.829 53.573 21.184 1.00 0.00 N ATOM 238 CA LEU A 15 41.415 52.818 20.019 1.00 0.00 C ATOM 239 C LEU A 15 39.891 52.840 19.896 1.00 0.00 C ATOM 240 O LEU A 15 39.194 52.670 20.895 1.00 0.00 O ATOM 241 CB LEU A 15 41.909 51.376 20.104 1.00 0.00 C ATOM 242 CG LEU A 15 43.411 51.165 20.277 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.679 49.668 20.396 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.238 51.694 19.109 1.00 0.00 C ATOM 0 H LEU A 15 41.380 53.253 22.042 1.00 0.00 H new ATOM 0 HA LEU A 15 41.854 53.282 19.136 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.401 50.893 20.939 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.597 50.857 19.198 1.00 0.00 H new ATOM 0 HG LEU A 15 43.707 51.718 21.169 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.749 49.499 20.520 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.146 49.270 21.260 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.334 49.164 19.493 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.295 51.510 19.299 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.941 51.185 18.192 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.070 52.765 19.000 1.00 0.00 H new ATOM 256 N GLU A 16 39.373 53.006 18.682 1.00 0.00 N ATOM 257 CA GLU A 16 37.952 53.012 18.402 1.00 0.00 C ATOM 258 C GLU A 16 37.566 51.721 17.677 1.00 0.00 C ATOM 259 O GLU A 16 38.171 51.357 16.671 1.00 0.00 O ATOM 260 CB GLU A 16 37.555 54.260 17.618 1.00 0.00 C ATOM 261 CG GLU A 16 37.756 55.542 18.421 1.00 0.00 C ATOM 262 CD GLU A 16 37.314 56.776 17.632 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.238 57.336 17.933 1.00 0.00 O ATOM 264 OE2 GLU A 16 38.037 57.199 16.705 1.00 0.00 O ATOM 0 H GLU A 16 39.948 53.143 17.851 1.00 0.00 H new ATOM 0 HA GLU A 16 37.398 53.048 19.340 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.144 54.313 16.702 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.509 54.181 17.321 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.190 55.482 19.351 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.807 55.641 18.693 1.00 0.00 H new ATOM 271 N VAL A 17 36.620 50.984 18.253 1.00 0.00 N ATOM 272 CA VAL A 17 36.381 49.580 17.989 1.00 0.00 C ATOM 273 C VAL A 17 34.898 49.211 18.025 1.00 0.00 C ATOM 274 O VAL A 17 34.062 49.930 18.569 1.00 0.00 O ATOM 275 CB VAL A 17 37.155 48.694 18.961 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.667 48.792 18.776 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.827 48.993 20.421 1.00 0.00 C ATOM 0 H VAL A 17 35.976 51.370 18.943 1.00 0.00 H new ATOM 0 HA VAL A 17 36.739 49.403 16.975 1.00 0.00 H new ATOM 0 HB VAL A 17 36.832 47.681 18.722 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.164 48.140 19.494 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.930 48.484 17.764 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.987 49.821 18.937 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.406 48.333 21.067 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.076 50.030 20.645 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.764 48.830 20.596 1.00 0.00 H new ATOM 287 N GLU A 18 34.576 48.058 17.446 1.00 0.00 N ATOM 288 CA GLU A 18 33.303 47.378 17.569 1.00 0.00 C ATOM 289 C GLU A 18 33.403 46.240 18.587 1.00 0.00 C ATOM 290 O GLU A 18 34.426 45.560 18.609 1.00 0.00 O ATOM 291 CB GLU A 18 32.890 46.815 16.212 1.00 0.00 C ATOM 292 CG GLU A 18 32.676 47.859 15.120 1.00 0.00 C ATOM 293 CD GLU A 18 31.362 48.626 15.274 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.290 48.060 14.967 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.393 49.811 15.671 1.00 0.00 O ATOM 0 H GLU A 18 35.232 47.553 16.850 1.00 0.00 H new ATOM 0 HA GLU A 18 32.555 48.092 17.912 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.655 46.113 15.878 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.968 46.247 16.336 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.506 48.565 15.133 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.691 47.367 14.147 1.00 0.00 H new ATOM 302 N PRO A 19 32.387 45.952 19.396 1.00 0.00 N ATOM 303 CA PRO A 19 32.403 44.831 20.314 1.00 0.00 C ATOM 304 C PRO A 19 32.688 43.466 19.682 1.00 0.00 C ATOM 305 O PRO A 19 33.299 42.615 20.324 1.00 0.00 O ATOM 306 CB PRO A 19 31.040 44.841 20.999 1.00 0.00 C ATOM 307 CG PRO A 19 30.636 46.313 20.967 1.00 0.00 C ATOM 308 CD PRO A 19 31.226 46.784 19.641 1.00 0.00 C ATOM 0 HA PRO A 19 33.235 44.960 21.006 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.321 44.216 20.470 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.101 44.464 22.020 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.554 46.438 20.998 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.045 46.865 21.813 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.499 46.685 18.835 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.505 47.836 19.691 1.00 0.00 H new ATOM 316 N SER A 20 32.296 43.254 18.429 1.00 0.00 N ATOM 317 CA SER A 20 32.540 42.034 17.688 1.00 0.00 C ATOM 318 C SER A 20 33.861 42.021 16.915 1.00 0.00 C ATOM 319 O SER A 20 34.086 41.098 16.135 1.00 0.00 O ATOM 320 CB SER A 20 31.375 41.702 16.761 1.00 0.00 C ATOM 321 OG SER A 20 30.133 41.857 17.410 1.00 0.00 O ATOM 0 H SER A 20 31.784 43.953 17.890 1.00 0.00 H new ATOM 0 HA SER A 20 32.627 41.256 18.447 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.411 42.349 15.885 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.474 40.677 16.404 1.00 0.00 H new ATOM 0 HG SER A 20 29.409 41.638 16.787 1.00 0.00 H new ATOM 327 N ASP A 21 34.731 43.011 17.089 1.00 0.00 N ATOM 328 CA ASP A 21 36.061 43.035 16.514 1.00 0.00 C ATOM 329 C ASP A 21 37.030 42.143 17.292 1.00 0.00 C ATOM 330 O ASP A 21 36.848 41.919 18.486 1.00 0.00 O ATOM 331 CB ASP A 21 36.575 44.470 16.450 1.00 0.00 C ATOM 332 CG ASP A 21 37.764 44.655 15.505 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.022 43.783 14.648 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.388 45.738 15.537 1.00 0.00 O ATOM 0 H ASP A 21 34.520 43.837 17.649 1.00 0.00 H new ATOM 0 HA ASP A 21 35.999 42.635 15.502 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.763 45.124 16.131 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.865 44.788 17.451 1.00 0.00 H new ATOM 339 N THR A 22 38.060 41.629 16.624 1.00 0.00 N ATOM 340 CA THR A 22 38.960 40.627 17.158 1.00 0.00 C ATOM 341 C THR A 22 40.299 41.174 17.657 1.00 0.00 C ATOM 342 O THR A 22 40.793 42.199 17.192 1.00 0.00 O ATOM 343 CB THR A 22 39.189 39.456 16.207 1.00 0.00 C ATOM 344 OG1 THR A 22 39.847 39.862 15.027 1.00 0.00 O ATOM 345 CG2 THR A 22 37.904 38.730 15.819 1.00 0.00 C ATOM 0 H THR A 22 38.292 41.910 15.671 1.00 0.00 H new ATOM 0 HA THR A 22 38.428 40.256 18.034 1.00 0.00 H new ATOM 0 HB THR A 22 39.818 38.763 16.766 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.979 39.087 14.442 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.140 37.909 15.142 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.425 38.335 16.715 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.228 39.427 15.323 1.00 0.00 H new ATOM 353 N ILE A 23 40.926 40.445 18.576 1.00 0.00 N ATOM 354 CA ILE A 23 42.209 40.782 19.159 1.00 0.00 C ATOM 355 C ILE A 23 43.306 40.930 18.103 1.00 0.00 C ATOM 356 O ILE A 23 44.123 41.841 18.220 1.00 0.00 O ATOM 357 CB ILE A 23 42.577 39.758 20.228 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.584 39.713 21.386 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.994 39.932 20.766 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.397 41.005 22.178 1.00 0.00 C ATOM 0 H ILE A 23 40.537 39.576 18.943 1.00 0.00 H new ATOM 0 HA ILE A 23 42.121 41.759 19.633 1.00 0.00 H new ATOM 0 HB ILE A 23 42.530 38.801 19.708 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.614 39.412 20.991 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.902 38.933 22.077 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.192 39.172 21.522 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.709 39.826 19.950 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.095 40.922 21.211 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.668 40.843 22.972 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.349 41.304 22.616 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.040 41.791 21.513 1.00 0.00 H new ATOM 372 N GLU A 24 43.312 40.128 17.041 1.00 0.00 N ATOM 373 CA GLU A 24 44.217 40.312 15.927 1.00 0.00 C ATOM 374 C GLU A 24 44.095 41.702 15.301 1.00 0.00 C ATOM 375 O GLU A 24 45.106 42.356 15.054 1.00 0.00 O ATOM 376 CB GLU A 24 43.967 39.236 14.874 1.00 0.00 C ATOM 377 CG GLU A 24 44.970 39.307 13.726 1.00 0.00 C ATOM 378 CD GLU A 24 44.699 38.216 12.688 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.775 38.399 11.866 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.411 37.189 12.684 1.00 0.00 O ATOM 0 H GLU A 24 42.684 39.331 16.936 1.00 0.00 H new ATOM 0 HA GLU A 24 45.233 40.222 16.312 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.022 38.253 15.342 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.957 39.345 14.479 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.915 40.287 13.251 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.982 39.198 14.116 1.00 0.00 H new ATOM 387 N ASN A 25 42.873 42.177 15.081 1.00 0.00 N ATOM 388 CA ASN A 25 42.641 43.492 14.515 1.00 0.00 C ATOM 389 C ASN A 25 42.909 44.618 15.515 1.00 0.00 C ATOM 390 O ASN A 25 43.411 45.663 15.110 1.00 0.00 O ATOM 391 CB ASN A 25 41.232 43.570 13.935 1.00 0.00 C ATOM 392 CG ASN A 25 41.080 44.809 13.050 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.777 44.969 12.050 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.180 45.729 13.386 1.00 0.00 N ATOM 0 H ASN A 25 42.020 41.659 15.291 1.00 0.00 H new ATOM 0 HA ASN A 25 43.357 43.637 13.707 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.023 42.673 13.352 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.502 43.602 14.744 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.069 46.566 12.814 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.601 45.597 14.215 1.00 0.00 H new ATOM 401 N VAL A 26 42.689 44.411 16.811 1.00 0.00 N ATOM 402 CA VAL A 26 43.107 45.339 17.843 1.00 0.00 C ATOM 403 C VAL A 26 44.628 45.503 17.850 1.00 0.00 C ATOM 404 O VAL A 26 45.116 46.631 17.890 1.00 0.00 O ATOM 405 CB VAL A 26 42.555 44.930 19.205 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.070 45.793 20.353 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.033 45.038 19.221 1.00 0.00 C ATOM 0 H VAL A 26 42.211 43.585 17.171 1.00 0.00 H new ATOM 0 HA VAL A 26 42.686 46.319 17.616 1.00 0.00 H new ATOM 0 HB VAL A 26 42.893 43.904 19.352 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.637 45.446 21.291 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.156 45.719 20.405 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.785 46.831 20.184 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.658 44.742 20.201 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.739 46.067 19.015 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.614 44.382 18.458 1.00 0.00 H new ATOM 417 N LYS A 27 45.393 44.427 17.692 1.00 0.00 N ATOM 418 CA LYS A 27 46.827 44.497 17.502 1.00 0.00 C ATOM 419 C LYS A 27 47.208 45.202 16.199 1.00 0.00 C ATOM 420 O LYS A 27 48.134 46.011 16.193 1.00 0.00 O ATOM 421 CB LYS A 27 47.441 43.100 17.564 1.00 0.00 C ATOM 422 CG LYS A 27 47.369 42.456 18.945 1.00 0.00 C ATOM 423 CD LYS A 27 47.857 41.013 18.858 1.00 0.00 C ATOM 424 CE LYS A 27 47.849 40.318 20.217 1.00 0.00 C ATOM 425 NZ LYS A 27 48.387 38.956 20.083 1.00 0.00 N ATOM 0 H LYS A 27 45.025 43.476 17.693 1.00 0.00 H new ATOM 0 HA LYS A 27 47.233 45.098 18.316 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.931 42.457 16.847 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.485 43.158 17.254 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.981 43.016 19.652 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.345 42.483 19.318 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.224 40.459 18.165 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.868 40.997 18.450 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.446 40.886 20.930 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.833 40.281 20.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.379 38.487 21.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.800 38.415 19.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.363 39.002 19.726 1.00 0.00 H new ATOM 439 N ALA A 28 46.472 44.985 15.113 1.00 0.00 N ATOM 440 CA ALA A 28 46.670 45.679 13.856 1.00 0.00 C ATOM 441 C ALA A 28 46.300 47.162 13.910 1.00 0.00 C ATOM 442 O ALA A 28 46.865 47.959 13.164 1.00 0.00 O ATOM 443 CB ALA A 28 45.907 44.940 12.760 1.00 0.00 C ATOM 0 H ALA A 28 45.709 44.309 15.087 1.00 0.00 H new ATOM 0 HA ALA A 28 47.737 45.671 13.632 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.048 45.453 11.809 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.281 43.919 12.681 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.845 44.919 13.007 1.00 0.00 H new ATOM 449 N LYS A 29 45.404 47.571 14.804 1.00 0.00 N ATOM 450 CA LYS A 29 45.064 48.951 15.089 1.00 0.00 C ATOM 451 C LYS A 29 46.154 49.659 15.896 1.00 0.00 C ATOM 452 O LYS A 29 46.418 50.833 15.645 1.00 0.00 O ATOM 453 CB LYS A 29 43.728 49.004 15.823 1.00 0.00 C ATOM 454 CG LYS A 29 42.519 48.895 14.899 1.00 0.00 C ATOM 455 CD LYS A 29 41.242 48.744 15.724 1.00 0.00 C ATOM 456 CE LYS A 29 39.984 48.903 14.876 1.00 0.00 C ATOM 457 NZ LYS A 29 39.681 50.313 14.585 1.00 0.00 N ATOM 0 H LYS A 29 44.873 46.913 15.374 1.00 0.00 H new ATOM 0 HA LYS A 29 44.981 49.482 14.141 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.691 48.195 16.553 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.666 49.939 16.380 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.452 49.782 14.269 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.635 48.039 14.234 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.234 47.764 16.202 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.237 49.487 16.521 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.109 48.360 13.939 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.139 48.452 15.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.079 50.371 13.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.182 50.735 15.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.567 50.831 14.416 1.00 0.00 H new ATOM 471 N ILE A 30 46.815 48.959 16.814 1.00 0.00 N ATOM 472 CA ILE A 30 48.003 49.429 17.498 1.00 0.00 C ATOM 473 C ILE A 30 49.155 49.585 16.502 1.00 0.00 C ATOM 474 O ILE A 30 49.808 50.626 16.484 1.00 0.00 O ATOM 475 CB ILE A 30 48.351 48.503 18.659 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.260 48.544 19.726 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.699 48.862 19.278 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.304 47.387 20.719 1.00 0.00 C ATOM 0 H ILE A 30 46.527 48.025 17.106 1.00 0.00 H new ATOM 0 HA ILE A 30 47.812 50.413 17.927 1.00 0.00 H new ATOM 0 HB ILE A 30 48.420 47.491 18.259 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.342 49.482 20.276 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.288 48.547 19.234 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.914 48.181 20.102 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.481 48.776 18.523 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.667 49.885 19.652 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.494 47.496 21.441 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.189 46.444 20.184 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.260 47.393 21.243 1.00 0.00 H new ATOM 490 N GLN A 31 49.356 48.610 15.620 1.00 0.00 N ATOM 491 CA GLN A 31 50.306 48.666 14.527 1.00 0.00 C ATOM 492 C GLN A 31 50.048 49.867 13.614 1.00 0.00 C ATOM 493 O GLN A 31 51.002 50.556 13.258 1.00 0.00 O ATOM 494 CB GLN A 31 50.252 47.346 13.764 1.00 0.00 C ATOM 495 CG GLN A 31 51.314 47.177 12.682 1.00 0.00 C ATOM 496 CD GLN A 31 51.181 45.860 11.914 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.228 45.096 12.053 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.140 45.521 11.058 1.00 0.00 N ATOM 0 H GLN A 31 48.841 47.730 15.653 1.00 0.00 H new ATOM 0 HA GLN A 31 51.310 48.805 14.927 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.350 46.528 14.478 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.269 47.251 13.303 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.246 48.009 11.981 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.302 47.226 13.140 1.00 0.00 H new ATOM 0 HE21 GLN A 31 52.943 46.135 10.922 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.073 44.647 10.537 1.00 0.00 H new ATOM 507 N ASP A 32 48.796 50.160 13.278 1.00 0.00 N ATOM 508 CA ASP A 32 48.422 51.284 12.443 1.00 0.00 C ATOM 509 C ASP A 32 48.881 52.638 12.988 1.00 0.00 C ATOM 510 O ASP A 32 49.473 53.400 12.227 1.00 0.00 O ATOM 511 CB ASP A 32 46.916 51.287 12.198 1.00 0.00 C ATOM 512 CG ASP A 32 46.497 52.342 11.172 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.944 52.238 10.009 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.731 53.267 11.518 1.00 0.00 O ATOM 0 H ASP A 32 47.998 49.606 13.589 1.00 0.00 H new ATOM 0 HA ASP A 32 48.947 51.148 11.498 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.605 50.302 11.851 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.397 51.472 13.139 1.00 0.00 H new ATOM 519 N LYS A 33 48.647 52.945 14.261 1.00 0.00 N ATOM 520 CA LYS A 33 48.949 54.247 14.821 1.00 0.00 C ATOM 521 C LYS A 33 50.283 54.382 15.558 1.00 0.00 C ATOM 522 O LYS A 33 50.895 55.442 15.449 1.00 0.00 O ATOM 523 CB LYS A 33 47.768 54.802 15.611 1.00 0.00 C ATOM 524 CG LYS A 33 47.405 54.061 16.894 1.00 0.00 C ATOM 525 CD LYS A 33 46.491 54.882 17.799 1.00 0.00 C ATOM 526 CE LYS A 33 45.125 55.155 17.176 1.00 0.00 C ATOM 527 NZ LYS A 33 44.375 56.142 17.970 1.00 0.00 N ATOM 0 H LYS A 33 48.241 52.291 14.931 1.00 0.00 H new ATOM 0 HA LYS A 33 49.106 54.882 13.949 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.984 55.840 15.865 1.00 0.00 H new ATOM 0 HB3 LYS A 33 46.894 54.808 14.960 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.914 53.121 16.641 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.317 53.808 17.435 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.355 54.355 18.743 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.975 55.831 18.031 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.252 55.522 16.157 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.558 54.227 17.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.731 56.671 17.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.823 55.651 18.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.040 56.802 18.422 1.00 0.00 H new ATOM 541 N GLU A 34 50.779 53.361 16.252 1.00 0.00 N ATOM 542 CA GLU A 34 52.021 53.420 16.996 1.00 0.00 C ATOM 543 C GLU A 34 53.210 52.775 16.280 1.00 0.00 C ATOM 544 O GLU A 34 54.349 52.980 16.694 1.00 0.00 O ATOM 545 CB GLU A 34 51.860 52.803 18.383 1.00 0.00 C ATOM 546 CG GLU A 34 50.939 53.554 19.341 1.00 0.00 C ATOM 547 CD GLU A 34 51.409 54.976 19.652 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.317 55.149 20.493 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.847 55.940 19.088 1.00 0.00 O ATOM 0 H GLU A 34 50.315 52.454 16.310 1.00 0.00 H new ATOM 0 HA GLU A 34 52.249 54.482 17.085 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.482 51.787 18.267 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.846 52.725 18.842 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.938 53.597 18.911 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.862 52.993 20.273 1.00 0.00 H new ATOM 556 N GLY A 35 52.998 52.001 15.219 1.00 0.00 N ATOM 557 CA GLY A 35 54.075 51.404 14.456 1.00 0.00 C ATOM 558 C GLY A 35 54.783 50.233 15.141 1.00 0.00 C ATOM 559 O GLY A 35 55.929 49.934 14.812 1.00 0.00 O ATOM 0 H GLY A 35 52.068 51.773 14.868 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.676 51.060 13.502 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.813 52.175 14.234 1.00 0.00 H new ATOM 563 N ILE A 36 54.124 49.574 16.090 1.00 0.00 N ATOM 564 CA ILE A 36 54.626 48.422 16.809 1.00 0.00 C ATOM 565 C ILE A 36 54.047 47.159 16.167 1.00 0.00 C ATOM 566 O ILE A 36 52.829 47.000 16.187 1.00 0.00 O ATOM 567 CB ILE A 36 54.291 48.520 18.294 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.851 49.797 18.915 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.839 47.301 19.031 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.434 50.037 20.363 1.00 0.00 C ATOM 0 H ILE A 36 53.186 49.845 16.387 1.00 0.00 H new ATOM 0 HA ILE A 36 55.713 48.382 16.743 1.00 0.00 H new ATOM 0 HB ILE A 36 53.206 48.550 18.390 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.939 49.762 18.865 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.532 50.648 18.313 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.596 47.377 20.091 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.391 46.396 18.620 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.921 47.258 18.909 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.878 50.966 20.720 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.348 50.108 20.422 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.777 49.209 20.983 1.00 0.00 H new ATOM 582 N PRO A 37 54.847 46.260 15.599 1.00 0.00 N ATOM 583 CA PRO A 37 54.333 45.091 14.916 1.00 0.00 C ATOM 584 C PRO A 37 53.884 43.995 15.884 1.00 0.00 C ATOM 585 O PRO A 37 54.403 43.935 16.996 1.00 0.00 O ATOM 586 CB PRO A 37 55.472 44.652 14.001 1.00 0.00 C ATOM 587 CG PRO A 37 56.719 45.030 14.797 1.00 0.00 C ATOM 588 CD PRO A 37 56.289 46.322 15.483 1.00 0.00 C ATOM 0 HA PRO A 37 53.428 45.312 14.351 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.434 43.582 13.795 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.437 45.164 13.039 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.991 44.258 15.517 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.583 45.181 14.151 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.754 46.415 16.464 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.595 47.192 14.902 1.00 0.00 H new ATOM 596 N PRO A 38 52.966 43.109 15.507 1.00 0.00 N ATOM 597 CA PRO A 38 52.439 42.063 16.361 1.00 0.00 C ATOM 598 C PRO A 38 53.462 41.154 17.046 1.00 0.00 C ATOM 599 O PRO A 38 53.208 40.725 18.170 1.00 0.00 O ATOM 600 CB PRO A 38 51.497 41.242 15.486 1.00 0.00 C ATOM 601 CG PRO A 38 50.960 42.286 14.510 1.00 0.00 C ATOM 602 CD PRO A 38 52.177 43.181 14.294 1.00 0.00 C ATOM 0 HA PRO A 38 51.949 42.548 17.206 1.00 0.00 H new ATOM 0 HB2 PRO A 38 52.020 40.436 14.971 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.699 40.783 16.069 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.616 41.835 13.579 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.118 42.838 14.927 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.757 42.845 13.434 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.872 44.207 14.091 1.00 0.00 H new ATOM 610 N ASP A 39 54.627 40.917 16.451 1.00 0.00 N ATOM 611 CA ASP A 39 55.767 40.261 17.062 1.00 0.00 C ATOM 612 C ASP A 39 56.128 40.838 18.432 1.00 0.00 C ATOM 613 O ASP A 39 56.486 40.090 19.339 1.00 0.00 O ATOM 614 CB ASP A 39 56.946 40.401 16.104 1.00 0.00 C ATOM 615 CG ASP A 39 58.312 40.046 16.696 1.00 0.00 C ATOM 616 OD1 ASP A 39 59.019 40.976 17.139 1.00 0.00 O ATOM 617 OD2 ASP A 39 58.725 38.866 16.666 1.00 0.00 O ATOM 0 H ASP A 39 54.805 41.192 15.485 1.00 0.00 H new ATOM 0 HA ASP A 39 55.514 39.215 17.236 1.00 0.00 H new ATOM 0 HB2 ASP A 39 56.767 39.765 15.237 1.00 0.00 H new ATOM 0 HB3 ASP A 39 56.980 41.429 15.743 1.00 0.00 H new ATOM 622 N GLN A 40 56.013 42.150 18.611 1.00 0.00 N ATOM 623 CA GLN A 40 56.394 42.848 19.823 1.00 0.00 C ATOM 624 C GLN A 40 55.234 43.101 20.788 1.00 0.00 C ATOM 625 O GLN A 40 55.459 43.568 21.902 1.00 0.00 O ATOM 626 CB GLN A 40 57.107 44.148 19.465 1.00 0.00 C ATOM 627 CG GLN A 40 58.349 43.925 18.607 1.00 0.00 C ATOM 628 CD GLN A 40 59.316 45.106 18.693 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.391 45.949 17.801 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.081 45.199 19.777 1.00 0.00 N ATOM 0 H GLN A 40 55.641 42.771 17.892 1.00 0.00 H new ATOM 0 HA GLN A 40 57.074 42.189 20.364 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.416 44.801 18.932 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.392 44.665 20.381 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.856 43.016 18.930 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.052 43.773 17.569 1.00 0.00 H new ATOM 0 HE21 GLN A 40 60.012 44.495 20.512 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.737 45.974 19.873 1.00 0.00 H new ATOM 639 N GLN A 41 53.995 42.807 20.406 1.00 0.00 N ATOM 640 CA GLN A 41 52.816 43.102 21.195 1.00 0.00 C ATOM 641 C GLN A 41 52.437 41.941 22.116 1.00 0.00 C ATOM 642 O GLN A 41 52.331 40.805 21.659 1.00 0.00 O ATOM 643 CB GLN A 41 51.640 43.479 20.298 1.00 0.00 C ATOM 644 CG GLN A 41 51.862 44.776 19.524 1.00 0.00 C ATOM 645 CD GLN A 41 50.593 45.216 18.792 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.481 45.078 19.300 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.673 45.755 17.579 1.00 0.00 N ATOM 0 H GLN A 41 53.784 42.348 19.520 1.00 0.00 H new ATOM 0 HA GLN A 41 53.060 43.956 21.827 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.457 42.669 19.592 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.743 43.578 20.909 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.178 45.561 20.211 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.669 44.638 18.804 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.583 45.880 17.136 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.824 46.043 17.092 1.00 0.00 H new ATOM 656 N ARG A 42 52.134 42.225 23.379 1.00 0.00 N ATOM 657 CA ARG A 42 51.516 41.290 24.298 1.00 0.00 C ATOM 658 C ARG A 42 50.407 42.000 25.078 1.00 0.00 C ATOM 659 O ARG A 42 50.707 42.790 25.970 1.00 0.00 O ATOM 660 CB ARG A 42 52.586 40.704 25.216 1.00 0.00 C ATOM 661 CG ARG A 42 52.060 39.577 26.099 1.00 0.00 C ATOM 662 CD ARG A 42 53.120 39.168 27.118 1.00 0.00 C ATOM 663 NE ARG A 42 52.700 38.028 27.933 1.00 0.00 N ATOM 664 CZ ARG A 42 52.993 37.821 29.224 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.815 38.621 29.916 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.470 36.794 29.907 1.00 0.00 N ATOM 0 H ARG A 42 52.318 43.137 23.797 1.00 0.00 H new ATOM 0 HA ARG A 42 51.057 40.464 23.755 1.00 0.00 H new ATOM 0 HB2 ARG A 42 53.411 40.329 24.610 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.988 41.496 25.848 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.156 39.901 26.614 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.787 38.720 25.483 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.044 38.918 26.597 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.341 40.014 27.768 1.00 0.00 H new ATOM 0 HE ARG A 42 52.127 37.320 27.473 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.246 39.426 29.461 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.010 38.425 30.898 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.832 36.146 29.445 1.00 0.00 H new ATOM 0 HH22 ARG A 42 52.710 36.660 30.889 1.00 0.00 H new ATOM 680 N LEU A 43 49.152 41.748 24.719 1.00 0.00 N ATOM 681 CA LEU A 43 47.967 42.286 25.360 1.00 0.00 C ATOM 682 C LEU A 43 47.444 41.362 26.461 1.00 0.00 C ATOM 683 O LEU A 43 47.172 40.188 26.219 1.00 0.00 O ATOM 684 CB LEU A 43 46.872 42.565 24.335 1.00 0.00 C ATOM 685 CG LEU A 43 47.129 43.742 23.399 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.113 43.728 22.260 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.998 45.080 24.121 1.00 0.00 C ATOM 0 H LEU A 43 48.928 41.134 23.936 1.00 0.00 H new ATOM 0 HA LEU A 43 48.256 43.227 25.828 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.727 41.669 23.731 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.938 42.745 24.868 1.00 0.00 H new ATOM 0 HG LEU A 43 48.146 43.636 23.023 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.301 44.571 21.594 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.206 42.797 21.701 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.106 43.807 22.670 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.189 45.892 23.419 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.990 45.178 24.525 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.721 45.127 24.935 1.00 0.00 H new ATOM 699 N ILE A 44 47.253 41.935 27.645 1.00 0.00 N ATOM 700 CA ILE A 44 46.687 41.320 28.829 1.00 0.00 C ATOM 701 C ILE A 44 45.511 42.159 29.331 1.00 0.00 C ATOM 702 O ILE A 44 45.564 43.387 29.352 1.00 0.00 O ATOM 703 CB ILE A 44 47.759 41.106 29.895 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.904 40.257 29.350 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.181 40.478 31.159 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.975 39.852 30.359 1.00 0.00 C ATOM 0 H ILE A 44 47.509 42.909 27.808 1.00 0.00 H new ATOM 0 HA ILE A 44 46.303 40.331 28.580 1.00 0.00 H new ATOM 0 HB ILE A 44 48.151 42.087 30.163 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.483 39.351 28.914 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.385 40.807 28.541 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.975 40.342 31.893 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.413 41.132 31.572 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.741 39.511 30.916 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.737 39.252 29.860 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.435 40.746 30.780 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.519 39.268 31.159 1.00 0.00 H new ATOM 718 N PHE A 45 44.443 41.496 29.766 1.00 0.00 N ATOM 719 CA PHE A 45 43.309 42.101 30.435 1.00 0.00 C ATOM 720 C PHE A 45 42.802 41.175 31.543 1.00 0.00 C ATOM 721 O PHE A 45 42.711 39.967 31.338 1.00 0.00 O ATOM 722 CB PHE A 45 42.220 42.408 29.411 1.00 0.00 C ATOM 723 CG PHE A 45 40.953 43.008 29.971 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.958 44.333 30.425 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.778 42.251 30.034 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.785 44.901 30.938 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.607 42.817 30.550 1.00 0.00 C ATOM 728 CZ PHE A 45 38.610 44.142 31.001 1.00 0.00 C ATOM 0 H PHE A 45 44.346 40.487 29.655 1.00 0.00 H new ATOM 0 HA PHE A 45 43.609 43.039 30.902 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.628 43.092 28.667 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.965 41.485 28.890 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.866 44.916 30.380 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.775 41.229 29.684 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.787 45.924 31.285 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.701 42.231 30.600 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.706 44.579 31.398 1.00 0.00 H new ATOM 738 N ALA A 46 42.496 41.725 32.715 1.00 0.00 N ATOM 739 CA ALA A 46 42.059 40.997 33.889 1.00 0.00 C ATOM 740 C ALA A 46 42.923 39.775 34.211 1.00 0.00 C ATOM 741 O ALA A 46 42.420 38.668 34.384 1.00 0.00 O ATOM 742 CB ALA A 46 40.563 40.718 33.781 1.00 0.00 C ATOM 0 H ALA A 46 42.550 42.731 32.873 1.00 0.00 H new ATOM 0 HA ALA A 46 42.209 41.624 34.768 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.230 40.170 34.663 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.021 41.661 33.714 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.367 40.123 32.889 1.00 0.00 H new ATOM 748 N GLY A 47 44.242 39.941 34.203 1.00 0.00 N ATOM 749 CA GLY A 47 45.229 38.908 34.445 1.00 0.00 C ATOM 750 C GLY A 47 45.438 37.874 33.337 1.00 0.00 C ATOM 751 O GLY A 47 46.320 37.029 33.470 1.00 0.00 O ATOM 0 H GLY A 47 44.668 40.849 34.017 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.185 39.393 34.641 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.948 38.378 35.355 1.00 0.00 H new ATOM 755 N LYS A 48 44.667 37.921 32.255 1.00 0.00 N ATOM 756 CA LYS A 48 44.606 36.921 31.208 1.00 0.00 C ATOM 757 C LYS A 48 45.218 37.427 29.899 1.00 0.00 C ATOM 758 O LYS A 48 44.903 38.524 29.447 1.00 0.00 O ATOM 759 CB LYS A 48 43.151 36.514 30.993 1.00 0.00 C ATOM 760 CG LYS A 48 42.579 35.760 32.191 1.00 0.00 C ATOM 761 CD LYS A 48 41.084 35.484 32.070 1.00 0.00 C ATOM 762 CE LYS A 48 40.251 36.752 32.237 1.00 0.00 C ATOM 763 NZ LYS A 48 38.816 36.431 32.245 1.00 0.00 N ATOM 0 H LYS A 48 44.036 38.703 32.081 1.00 0.00 H new ATOM 0 HA LYS A 48 45.192 36.057 31.521 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.551 37.404 30.806 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.078 35.888 30.104 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.109 34.814 32.303 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.763 36.337 33.097 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.875 35.039 31.097 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.788 34.754 32.824 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.522 37.252 33.167 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.469 37.447 31.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.265 37.306 32.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.557 35.974 31.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.609 35.786 33.034 1.00 0.00 H new ATOM 777 N GLN A 49 46.059 36.610 29.271 1.00 0.00 N ATOM 778 CA GLN A 49 46.644 36.909 27.980 1.00 0.00 C ATOM 779 C GLN A 49 45.661 36.596 26.849 1.00 0.00 C ATOM 780 O GLN A 49 45.164 35.478 26.733 1.00 0.00 O ATOM 781 CB GLN A 49 47.965 36.163 27.816 1.00 0.00 C ATOM 782 CG GLN A 49 48.712 36.565 26.546 1.00 0.00 C ATOM 783 CD GLN A 49 49.961 35.700 26.369 1.00 0.00 C ATOM 784 OE1 GLN A 49 51.080 36.117 26.664 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.817 34.463 25.903 1.00 0.00 N ATOM 0 H GLN A 49 46.353 35.712 29.655 1.00 0.00 H new ATOM 0 HA GLN A 49 46.858 37.976 27.927 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.598 36.357 28.682 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.772 35.090 27.796 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.058 36.454 25.681 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.994 37.617 26.599 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.890 34.115 25.658 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.633 33.862 25.791 1.00 0.00 H new ATOM 794 N LEU A 50 45.391 37.581 25.997 1.00 0.00 N ATOM 795 CA LEU A 50 44.306 37.520 25.039 1.00 0.00 C ATOM 796 C LEU A 50 44.685 36.795 23.745 1.00 0.00 C ATOM 797 O LEU A 50 45.808 36.929 23.262 1.00 0.00 O ATOM 798 CB LEU A 50 43.763 38.925 24.793 1.00 0.00 C ATOM 799 CG LEU A 50 43.452 39.739 26.046 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.841 41.083 25.659 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.497 39.027 27.001 1.00 0.00 C ATOM 0 H LEU A 50 45.927 38.448 25.957 1.00 0.00 H new ATOM 0 HA LEU A 50 43.510 36.912 25.468 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.488 39.476 24.194 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.853 38.845 24.198 1.00 0.00 H new ATOM 0 HG LEU A 50 44.401 39.876 26.564 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.623 41.656 26.560 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.545 41.637 25.038 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.919 40.917 25.102 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.316 39.657 27.872 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.553 38.831 26.492 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.939 38.084 27.322 1.00 0.00 H new ATOM 813 N GLU A 51 43.760 36.022 23.183 1.00 0.00 N ATOM 814 CA GLU A 51 43.971 35.221 21.994 1.00 0.00 C ATOM 815 C GLU A 51 43.452 35.875 20.712 1.00 0.00 C ATOM 816 O GLU A 51 42.409 36.526 20.702 1.00 0.00 O ATOM 817 CB GLU A 51 43.377 33.825 22.153 1.00 0.00 C ATOM 818 CG GLU A 51 44.160 32.967 23.142 1.00 0.00 C ATOM 819 CD GLU A 51 43.827 31.476 23.045 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.402 31.010 21.966 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.031 30.748 24.040 1.00 0.00 O ATOM 0 H GLU A 51 42.816 35.937 23.559 1.00 0.00 H new ATOM 0 HA GLU A 51 45.053 35.140 21.887 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.343 33.909 22.489 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.357 33.329 21.183 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.227 33.106 22.968 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.955 33.313 24.155 1.00 0.00 H new ATOM 828 N ASP A 52 44.138 35.650 19.595 1.00 0.00 N ATOM 829 CA ASP A 52 44.019 36.422 18.375 1.00 0.00 C ATOM 830 C ASP A 52 42.703 36.241 17.615 1.00 0.00 C ATOM 831 O ASP A 52 42.235 37.176 16.968 1.00 0.00 O ATOM 832 CB ASP A 52 45.209 36.106 17.474 1.00 0.00 C ATOM 833 CG ASP A 52 46.547 36.480 18.115 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.887 37.682 18.156 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.268 35.576 18.587 1.00 0.00 O ATOM 0 H ASP A 52 44.818 34.893 19.518 1.00 0.00 H new ATOM 0 HA ASP A 52 44.016 37.470 18.674 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.208 35.042 17.237 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.099 36.642 16.532 1.00 0.00 H new ATOM 840 N GLY A 53 42.076 35.072 17.704 1.00 0.00 N ATOM 841 CA GLY A 53 40.789 34.790 17.100 1.00 0.00 C ATOM 842 C GLY A 53 39.578 35.296 17.886 1.00 0.00 C ATOM 843 O GLY A 53 38.482 35.328 17.332 1.00 0.00 O ATOM 0 H GLY A 53 42.464 34.277 18.213 1.00 0.00 H new ATOM 0 HA2 GLY A 53 40.767 35.233 16.104 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.694 33.712 16.971 1.00 0.00 H new ATOM 847 N ARG A 54 39.744 35.678 19.149 1.00 0.00 N ATOM 848 CA ARG A 54 38.663 36.075 20.028 1.00 0.00 C ATOM 849 C ARG A 54 38.204 37.513 19.777 1.00 0.00 C ATOM 850 O ARG A 54 39.007 38.352 19.372 1.00 0.00 O ATOM 851 CB ARG A 54 39.063 35.881 21.488 1.00 0.00 C ATOM 852 CG ARG A 54 39.371 34.450 21.921 1.00 0.00 C ATOM 853 CD ARG A 54 38.145 33.570 22.150 1.00 0.00 C ATOM 854 NE ARG A 54 37.344 33.370 20.942 1.00 0.00 N ATOM 855 CZ ARG A 54 37.669 32.628 19.875 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.744 31.829 19.852 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.929 32.702 18.760 1.00 0.00 N ATOM 0 H ARG A 54 40.660 35.719 19.595 1.00 0.00 H new ATOM 0 HA ARG A 54 37.814 35.429 19.805 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.942 36.495 21.686 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.259 36.263 22.117 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.999 33.983 21.162 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.954 34.482 22.841 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.468 32.600 22.529 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.521 34.022 22.921 1.00 0.00 H new ATOM 0 HE ARG A 54 36.443 33.846 20.909 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.352 31.769 20.669 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.954 31.281 19.018 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.120 33.322 18.725 1.00 0.00 H new ATOM 0 HH22 ARG A 54 37.175 32.138 17.946 1.00 0.00 H new ATOM 871 N THR A 55 36.930 37.793 20.033 1.00 0.00 N ATOM 872 CA THR A 55 36.379 39.132 19.984 1.00 0.00 C ATOM 873 C THR A 55 36.557 39.881 21.306 1.00 0.00 C ATOM 874 O THR A 55 36.753 39.278 22.358 1.00 0.00 O ATOM 875 CB THR A 55 34.918 39.174 19.544 1.00 0.00 C ATOM 876 OG1 THR A 55 34.103 38.478 20.459 1.00 0.00 O ATOM 877 CG2 THR A 55 34.685 38.555 18.168 1.00 0.00 C ATOM 0 H THR A 55 36.245 37.080 20.284 1.00 0.00 H new ATOM 0 HA THR A 55 36.959 39.645 19.216 1.00 0.00 H new ATOM 0 HB THR A 55 34.660 40.232 19.503 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.325 39.028 20.688 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.626 38.617 17.916 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.268 39.095 17.422 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.994 37.510 18.182 1.00 0.00 H new ATOM 885 N LEU A 56 36.410 41.203 21.285 1.00 0.00 N ATOM 886 CA LEU A 56 36.278 41.992 22.493 1.00 0.00 C ATOM 887 C LEU A 56 35.080 41.543 23.331 1.00 0.00 C ATOM 888 O LEU A 56 35.183 41.458 24.553 1.00 0.00 O ATOM 889 CB LEU A 56 36.203 43.471 22.122 1.00 0.00 C ATOM 890 CG LEU A 56 37.486 44.047 21.533 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.245 45.493 21.107 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.632 44.051 22.541 1.00 0.00 C ATOM 0 H LEU A 56 36.380 41.752 20.426 1.00 0.00 H new ATOM 0 HA LEU A 56 37.156 41.837 23.120 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.395 43.611 21.404 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.940 44.042 23.013 1.00 0.00 H new ATOM 0 HG LEU A 56 37.760 43.417 20.687 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.162 45.906 20.686 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.455 45.524 20.357 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.946 46.083 21.974 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.524 44.470 22.076 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.355 44.656 23.405 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.836 43.030 22.864 1.00 0.00 H new ATOM 904 N SER A 57 33.974 41.164 22.698 1.00 0.00 N ATOM 905 CA SER A 57 32.820 40.564 23.337 1.00 0.00 C ATOM 906 C SER A 57 33.067 39.180 23.938 1.00 0.00 C ATOM 907 O SER A 57 32.460 38.885 24.966 1.00 0.00 O ATOM 908 CB SER A 57 31.630 40.553 22.382 1.00 0.00 C ATOM 909 OG SER A 57 31.911 39.836 21.201 1.00 0.00 O ATOM 0 H SER A 57 33.858 41.272 21.690 1.00 0.00 H new ATOM 0 HA SER A 57 32.594 41.198 24.194 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.769 40.109 22.880 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.358 41.578 22.129 1.00 0.00 H new ATOM 0 HG SER A 57 31.126 39.850 20.615 1.00 0.00 H new ATOM 915 N ASP A 58 33.975 38.359 23.419 1.00 0.00 N ATOM 916 CA ASP A 58 34.342 37.102 24.041 1.00 0.00 C ATOM 917 C ASP A 58 34.951 37.291 25.432 1.00 0.00 C ATOM 918 O ASP A 58 34.700 36.487 26.326 1.00 0.00 O ATOM 919 CB ASP A 58 35.294 36.281 23.176 1.00 0.00 C ATOM 920 CG ASP A 58 34.656 35.597 21.966 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.486 35.164 22.043 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.341 35.442 20.931 1.00 0.00 O ATOM 0 H ASP A 58 34.476 38.552 22.552 1.00 0.00 H new ATOM 0 HA ASP A 58 33.407 36.552 24.147 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.092 36.934 22.824 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.759 35.518 23.800 1.00 0.00 H new ATOM 927 N TYR A 59 35.676 38.388 25.639 1.00 0.00 N ATOM 928 CA TYR A 59 36.221 38.808 26.914 1.00 0.00 C ATOM 929 C TYR A 59 35.342 39.813 27.661 1.00 0.00 C ATOM 930 O TYR A 59 35.766 40.333 28.691 1.00 0.00 O ATOM 931 CB TYR A 59 37.641 39.319 26.693 1.00 0.00 C ATOM 932 CG TYR A 59 38.634 38.277 26.236 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.064 37.299 27.140 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.157 38.305 24.937 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.014 36.344 26.755 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.115 37.364 24.545 1.00 0.00 C ATOM 937 CZ TYR A 59 40.545 36.374 25.451 1.00 0.00 C ATOM 938 OH TYR A 59 41.494 35.471 25.072 1.00 0.00 O ATOM 0 H TYR A 59 35.906 39.033 24.883 1.00 0.00 H new ATOM 0 HA TYR A 59 36.245 37.942 27.576 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.611 40.119 25.953 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.001 39.758 27.623 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.661 37.280 28.142 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.820 39.055 24.236 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.338 35.588 27.455 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.526 37.396 23.547 1.00 0.00 H new ATOM 0 HH TYR A 59 41.059 34.676 24.699 1.00 0.00 H new ATOM 948 N ASN A 60 34.129 40.098 27.195 1.00 0.00 N ATOM 949 CA ASN A 60 33.208 41.046 27.788 1.00 0.00 C ATOM 950 C ASN A 60 33.809 42.440 27.986 1.00 0.00 C ATOM 951 O ASN A 60 33.536 43.118 28.974 1.00 0.00 O ATOM 952 CB ASN A 60 32.578 40.410 29.024 1.00 0.00 C ATOM 953 CG ASN A 60 31.467 41.228 29.684 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.708 41.945 29.035 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.347 41.144 31.006 1.00 0.00 N ATOM 0 H ASN A 60 33.751 39.653 26.359 1.00 0.00 H new ATOM 0 HA ASN A 60 32.398 41.257 27.090 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.174 39.437 28.746 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.362 40.231 29.760 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.622 41.676 31.487 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.980 40.547 31.539 1.00 0.00 H new ATOM 962 N ILE A 61 34.663 42.883 27.068 1.00 0.00 N ATOM 963 CA ILE A 61 35.310 44.180 27.093 1.00 0.00 C ATOM 964 C ILE A 61 34.323 45.239 26.599 1.00 0.00 C ATOM 965 O ILE A 61 33.635 45.039 25.600 1.00 0.00 O ATOM 966 CB ILE A 61 36.609 44.146 26.292 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.631 43.216 26.938 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.208 45.543 26.156 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.731 42.756 25.985 1.00 0.00 C ATOM 0 H ILE A 61 34.930 42.323 26.258 1.00 0.00 H new ATOM 0 HA ILE A 61 35.593 44.445 28.112 1.00 0.00 H new ATOM 0 HB ILE A 61 36.365 43.767 25.300 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.087 43.726 27.787 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.115 42.341 27.332 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.132 45.488 25.581 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.500 46.194 25.643 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.420 45.946 27.146 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.420 42.098 26.515 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.286 42.217 25.148 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.274 43.624 25.610 1.00 0.00 H new ATOM 981 N GLN A 62 34.244 46.363 27.307 1.00 0.00 N ATOM 982 CA GLN A 62 33.216 47.375 27.171 1.00 0.00 C ATOM 983 C GLN A 62 33.811 48.778 27.027 1.00 0.00 C ATOM 984 O GLN A 62 35.006 48.970 27.239 1.00 0.00 O ATOM 985 CB GLN A 62 32.308 47.278 28.393 1.00 0.00 C ATOM 986 CG GLN A 62 31.423 46.034 28.400 1.00 0.00 C ATOM 987 CD GLN A 62 30.949 45.673 29.809 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.156 46.368 30.441 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.450 44.588 30.393 1.00 0.00 N ATOM 0 H GLN A 62 34.931 46.598 28.024 1.00 0.00 H new ATOM 0 HA GLN A 62 32.644 47.199 26.260 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.923 47.281 29.293 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.675 48.164 28.436 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.558 46.202 27.759 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.975 45.194 27.977 1.00 0.00 H new ATOM 0 HE21 GLN A 62 32.110 43.996 29.888 1.00 0.00 H new ATOM 0 HE22 GLN A 62 31.174 44.348 31.345 1.00 0.00 H new ATOM 998 N LYS A 63 32.987 49.774 26.711 1.00 0.00 N ATOM 999 CA LYS A 63 33.349 51.174 26.621 1.00 0.00 C ATOM 1000 C LYS A 63 34.248 51.663 27.758 1.00 0.00 C ATOM 1001 O LYS A 63 33.973 51.429 28.932 1.00 0.00 O ATOM 1002 CB LYS A 63 32.082 52.015 26.497 1.00 0.00 C ATOM 1003 CG LYS A 63 31.081 51.871 27.640 1.00 0.00 C ATOM 1004 CD LYS A 63 29.748 52.534 27.305 1.00 0.00 C ATOM 1005 CE LYS A 63 28.694 52.238 28.369 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.375 52.785 28.017 1.00 0.00 N ATOM 0 H LYS A 63 32.002 49.612 26.502 1.00 0.00 H new ATOM 0 HA LYS A 63 33.958 51.292 25.725 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.369 53.064 26.419 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.582 51.752 25.565 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.919 50.814 27.852 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.494 52.318 28.544 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.888 53.612 27.219 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.398 52.180 26.336 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.613 51.160 28.506 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.016 52.657 29.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.693 52.559 28.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.444 53.817 27.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.053 52.366 27.121 1.00 0.00 H new ATOM 1020 N GLU A 64 35.324 52.359 27.402 1.00 0.00 N ATOM 1021 CA GLU A 64 36.320 52.938 28.279 1.00 0.00 C ATOM 1022 C GLU A 64 37.184 51.958 29.077 1.00 0.00 C ATOM 1023 O GLU A 64 37.895 52.378 29.988 1.00 0.00 O ATOM 1024 CB GLU A 64 35.727 54.040 29.153 1.00 0.00 C ATOM 1025 CG GLU A 64 34.944 55.086 28.364 1.00 0.00 C ATOM 1026 CD GLU A 64 34.506 56.232 29.279 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.457 56.100 29.947 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.183 57.283 29.306 1.00 0.00 O ATOM 0 H GLU A 64 35.532 52.543 26.420 1.00 0.00 H new ATOM 0 HA GLU A 64 37.040 53.385 27.593 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.069 53.589 29.896 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.532 54.534 29.697 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.561 55.475 27.554 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.069 54.624 27.906 1.00 0.00 H new ATOM 1035 N SER A 65 37.184 50.672 28.742 1.00 0.00 N ATOM 1036 CA SER A 65 38.099 49.708 29.321 1.00 0.00 C ATOM 1037 C SER A 65 39.555 50.002 28.953 1.00 0.00 C ATOM 1038 O SER A 65 39.817 50.474 27.849 1.00 0.00 O ATOM 1039 CB SER A 65 37.786 48.283 28.876 1.00 0.00 C ATOM 1040 OG SER A 65 36.458 47.912 29.170 1.00 0.00 O ATOM 0 H SER A 65 36.543 50.272 28.057 1.00 0.00 H new ATOM 0 HA SER A 65 37.966 49.797 30.399 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.957 48.193 27.803 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.471 47.592 29.367 1.00 0.00 H new ATOM 0 HG SER A 65 35.856 48.290 28.496 1.00 0.00 H new ATOM 1046 N THR A 66 40.505 49.656 29.818 1.00 0.00 N ATOM 1047 CA THR A 66 41.927 49.665 29.535 1.00 0.00 C ATOM 1048 C THR A 66 42.455 48.244 29.325 1.00 0.00 C ATOM 1049 O THR A 66 42.263 47.388 30.186 1.00 0.00 O ATOM 1050 CB THR A 66 42.748 50.335 30.633 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.413 51.700 30.744 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.250 50.318 30.366 1.00 0.00 C ATOM 0 H THR A 66 40.292 49.352 30.768 1.00 0.00 H new ATOM 0 HA THR A 66 42.042 50.248 28.621 1.00 0.00 H new ATOM 0 HB THR A 66 42.518 49.764 31.532 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.949 52.112 31.454 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.771 50.811 31.187 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.594 49.287 30.285 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.460 50.844 29.435 1.00 0.00 H new ATOM 1060 N LEU A 67 43.189 48.034 28.237 1.00 0.00 N ATOM 1061 CA LEU A 67 44.019 46.868 28.009 1.00 0.00 C ATOM 1062 C LEU A 67 45.481 47.189 28.323 1.00 0.00 C ATOM 1063 O LEU A 67 45.946 48.290 28.034 1.00 0.00 O ATOM 1064 CB LEU A 67 43.861 46.357 26.580 1.00 0.00 C ATOM 1065 CG LEU A 67 42.440 46.255 26.032 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.474 45.718 24.605 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.542 45.342 26.861 1.00 0.00 C ATOM 0 H LEU A 67 43.220 48.699 27.464 1.00 0.00 H new ATOM 0 HA LEU A 67 43.692 46.074 28.680 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.432 47.012 25.921 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.318 45.369 26.521 1.00 0.00 H new ATOM 0 HG LEU A 67 42.025 47.262 26.070 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.457 45.647 24.219 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.055 46.393 23.976 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.934 44.730 24.599 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.546 45.312 26.419 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.962 44.336 26.878 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.476 45.724 27.880 1.00 0.00 H new ATOM 1079 N HIS A 68 46.226 46.234 28.872 1.00 0.00 N ATOM 1080 CA HIS A 68 47.630 46.398 29.187 1.00 0.00 C ATOM 1081 C HIS A 68 48.503 45.790 28.087 1.00 0.00 C ATOM 1082 O HIS A 68 48.350 44.614 27.763 1.00 0.00 O ATOM 1083 CB HIS A 68 47.954 45.761 30.536 1.00 0.00 C ATOM 1084 CG HIS A 68 47.161 46.302 31.695 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.464 47.454 32.420 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.054 45.710 32.243 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.536 47.538 33.377 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.679 46.507 33.307 1.00 0.00 N ATOM 0 H HIS A 68 45.860 45.313 29.112 1.00 0.00 H new ATOM 0 HA HIS A 68 47.845 47.465 29.248 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.782 44.687 30.466 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.015 45.901 30.743 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.572 44.803 31.910 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.482 48.330 34.109 1.00 0.00 H new ATOM 0 HE2 HIS A 68 44.889 46.341 33.931 1.00 0.00 H new ATOM 1096 N LEU A 69 49.442 46.563 27.551 1.00 0.00 N ATOM 1097 CA LEU A 69 50.584 46.066 26.810 1.00 0.00 C ATOM 1098 C LEU A 69 51.732 45.759 27.774 1.00 0.00 C ATOM 1099 O LEU A 69 51.916 46.448 28.775 1.00 0.00 O ATOM 1100 CB LEU A 69 51.013 47.062 25.738 1.00 0.00 C ATOM 1101 CG LEU A 69 50.203 47.011 24.445 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.557 48.214 23.577 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.477 45.753 23.626 1.00 0.00 C ATOM 0 H LEU A 69 49.424 47.580 27.625 1.00 0.00 H new ATOM 0 HA LEU A 69 50.302 45.144 26.302 1.00 0.00 H new ATOM 0 HB2 LEU A 69 50.945 48.068 26.151 1.00 0.00 H new ATOM 0 HB3 LEU A 69 52.062 46.885 25.499 1.00 0.00 H new ATOM 0 HG LEU A 69 49.152 47.013 24.734 1.00 0.00 H new ATOM 0 HD11 LEU A 69 49.979 48.179 22.653 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.324 49.133 24.116 1.00 0.00 H new ATOM 0 HD13 LEU A 69 51.621 48.192 23.341 1.00 0.00 H new ATOM 0 HD21 LEU A 69 49.874 45.771 22.718 1.00 0.00 H new ATOM 0 HD22 LEU A 69 51.533 45.715 23.359 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.220 44.872 24.215 1.00 0.00 H new ATOM 1115 N VAL A 70 52.507 44.724 27.461 1.00 0.00 N ATOM 1116 CA VAL A 70 53.607 44.239 28.270 1.00 0.00 C ATOM 1117 C VAL A 70 54.841 43.988 27.399 1.00 0.00 C ATOM 1118 O VAL A 70 54.725 43.447 26.302 1.00 0.00 O ATOM 1119 CB VAL A 70 53.189 42.974 29.014 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.292 42.445 29.927 1.00 0.00 C ATOM 1121 CG2 VAL A 70 51.961 43.206 29.890 1.00 0.00 C ATOM 0 H VAL A 70 52.376 44.185 26.605 1.00 0.00 H new ATOM 0 HA VAL A 70 53.869 44.998 29.007 1.00 0.00 H new ATOM 0 HB VAL A 70 52.969 42.248 28.231 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.945 41.544 30.433 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.175 42.209 29.332 1.00 0.00 H new ATOM 0 HG13 VAL A 70 54.545 43.203 30.668 1.00 0.00 H new ATOM 0 HG21 VAL A 70 51.698 42.280 30.401 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.181 43.978 30.628 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.125 43.527 29.268 1.00 0.00 H new ATOM 1131 N LEU A 71 56.021 44.360 27.886 1.00 0.00 N ATOM 1132 CA LEU A 71 57.278 44.155 27.195 1.00 0.00 C ATOM 1133 C LEU A 71 57.680 42.680 27.122 1.00 0.00 C ATOM 1134 O LEU A 71 57.497 41.924 28.072 1.00 0.00 O ATOM 1135 CB LEU A 71 58.379 44.981 27.852 1.00 0.00 C ATOM 1136 CG LEU A 71 58.252 46.490 27.661 1.00 0.00 C ATOM 1137 CD1 LEU A 71 59.315 47.187 28.504 1.00 0.00 C ATOM 1138 CD2 LEU A 71 58.452 46.916 26.210 1.00 0.00 C ATOM 0 H LEU A 71 56.126 44.821 28.790 1.00 0.00 H new ATOM 0 HA LEU A 71 57.138 44.490 26.167 1.00 0.00 H new ATOM 0 HB2 LEU A 71 58.387 44.764 28.920 1.00 0.00 H new ATOM 0 HB3 LEU A 71 59.341 44.659 27.454 1.00 0.00 H new ATOM 0 HG LEU A 71 57.243 46.770 27.964 1.00 0.00 H new ATOM 0 HD11 LEU A 71 59.232 48.266 28.374 1.00 0.00 H new ATOM 0 HD12 LEU A 71 59.169 46.936 29.554 1.00 0.00 H new ATOM 0 HD13 LEU A 71 60.305 46.858 28.187 1.00 0.00 H new ATOM 0 HD21 LEU A 71 58.351 47.998 26.131 1.00 0.00 H new ATOM 0 HD22 LEU A 71 59.447 46.619 25.877 1.00 0.00 H new ATOM 0 HD23 LEU A 71 57.701 46.435 25.583 1.00 0.00 H new ATOM 1150 N ARG A 72 58.258 42.292 25.988 1.00 0.00 N ATOM 1151 CA ARG A 72 58.625 40.935 25.631 1.00 0.00 C ATOM 1152 C ARG A 72 59.844 40.887 24.708 1.00 0.00 C ATOM 1153 O ARG A 72 59.789 40.269 23.647 1.00 0.00 O ATOM 1154 CB ARG A 72 57.412 40.221 25.041 1.00 0.00 C ATOM 1155 CG ARG A 72 56.766 40.924 23.851 1.00 0.00 C ATOM 1156 CD ARG A 72 56.438 39.990 22.689 1.00 0.00 C ATOM 1157 NE ARG A 72 55.487 38.935 23.044 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.637 38.336 22.201 1.00 0.00 C ATOM 1159 NH1 ARG A 72 54.597 38.609 20.889 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.765 37.409 22.622 1.00 0.00 N ATOM 0 H ARG A 72 58.494 42.960 25.254 1.00 0.00 H new ATOM 0 HA ARG A 72 58.930 40.405 26.534 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.713 39.220 24.733 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.663 40.102 25.824 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.850 41.412 24.183 1.00 0.00 H new ATOM 0 HG3 ARG A 72 57.435 41.708 23.497 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.029 40.576 21.866 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.359 39.533 22.328 1.00 0.00 H new ATOM 0 HE ARG A 72 55.471 38.630 24.017 1.00 0.00 H new ATOM 0 HH11 ARG A 72 55.233 39.301 20.492 1.00 0.00 H new ATOM 0 HH12 ARG A 72 53.930 38.125 20.287 1.00 0.00 H new ATOM 0 HH21 ARG A 72 53.738 37.144 23.607 1.00 0.00 H new ATOM 0 HH22 ARG A 72 53.129 36.969 21.958 1.00 0.00 H new ATOM 1174 N LEU A 73 60.923 41.575 25.071 1.00 0.00 N ATOM 1175 CA LEU A 73 62.106 41.712 24.246 1.00 0.00 C ATOM 1176 C LEU A 73 62.653 40.348 23.818 1.00 0.00 C ATOM 1177 O LEU A 73 62.904 39.481 24.651 1.00 0.00 O ATOM 1178 CB LEU A 73 63.182 42.529 24.954 1.00 0.00 C ATOM 1179 CG LEU A 73 63.050 44.045 24.834 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.881 44.627 25.624 1.00 0.00 C ATOM 1181 CD2 LEU A 73 64.321 44.711 25.351 1.00 0.00 C ATOM 0 H LEU A 73 60.995 42.060 25.965 1.00 0.00 H new ATOM 0 HA LEU A 73 61.812 42.250 23.345 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.175 42.265 26.012 1.00 0.00 H new ATOM 0 HB3 LEU A 73 64.154 42.235 24.558 1.00 0.00 H new ATOM 0 HG LEU A 73 62.876 44.243 23.776 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.853 45.708 25.489 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.948 44.192 25.266 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.006 44.397 26.682 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.226 45.793 25.265 1.00 0.00 H new ATOM 0 HD22 LEU A 73 64.473 44.442 26.396 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.174 44.374 24.762 1.00 0.00 H new ATOM 1193 N ARG A 74 62.830 40.153 22.514 1.00 0.00 N ATOM 1194 CA ARG A 74 63.135 38.875 21.903 1.00 0.00 C ATOM 1195 C ARG A 74 64.576 38.416 22.139 1.00 0.00 C ATOM 1196 O ARG A 74 64.819 37.214 22.213 1.00 0.00 O ATOM 1197 CB ARG A 74 62.792 38.976 20.419 1.00 0.00 C ATOM 1198 CG ARG A 74 62.654 37.625 19.723 1.00 0.00 C ATOM 1199 CD ARG A 74 62.100 37.766 18.309 1.00 0.00 C ATOM 1200 NE ARG A 74 62.997 38.531 17.442 1.00 0.00 N ATOM 1201 CZ ARG A 74 62.651 39.272 16.381 1.00 0.00 C ATOM 1202 NH1 ARG A 74 61.392 39.375 15.930 1.00 0.00 N ATOM 1203 NH2 ARG A 74 63.552 39.978 15.686 1.00 0.00 N ATOM 0 H ARG A 74 62.761 40.911 21.835 1.00 0.00 H new ATOM 0 HA ARG A 74 62.531 38.101 22.376 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.858 39.528 20.309 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.566 39.556 19.916 1.00 0.00 H new ATOM 0 HG2 ARG A 74 63.627 37.136 19.684 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.997 36.981 20.308 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.940 36.776 17.882 1.00 0.00 H new ATOM 0 HD3 ARG A 74 61.128 38.257 18.348 1.00 0.00 H new ATOM 0 HE ARG A 74 63.991 38.496 17.670 1.00 0.00 H new ATOM 0 HH11 ARG A 74 60.639 38.873 16.401 1.00 0.00 H new ATOM 0 HH12 ARG A 74 61.188 39.955 15.116 1.00 0.00 H new ATOM 0 HH21 ARG A 74 64.534 39.961 15.960 1.00 0.00 H new ATOM 0 HH22 ARG A 74 63.256 40.532 14.883 1.00 0.00 H new ATOM 1217 N GLY A 75 65.510 39.352 22.281 1.00 0.00 N ATOM 1218 CA GLY A 75 66.930 39.110 22.437 1.00 0.00 C ATOM 1219 C GLY A 75 67.648 38.766 21.131 1.00 0.00 C ATOM 1220 O GLY A 75 67.034 38.275 20.186 1.00 0.00 O ATOM 0 H GLY A 75 65.280 40.346 22.290 1.00 0.00 H new ATOM 0 HA2 GLY A 75 67.394 39.995 22.873 1.00 0.00 H new ATOM 0 HA3 GLY A 75 67.074 38.294 23.145 1.00 0.00 H new ATOM 1224 N GLY A 76 68.950 39.037 21.090 1.00 0.00 N ATOM 1225 CA GLY A 76 69.829 38.763 19.971 1.00 0.00 C ATOM 1226 C GLY A 76 70.345 37.324 19.899 1.00 0.00 C ATOM 1227 O GLY A 76 70.388 36.791 18.769 1.00 0.00 O ATOM 1228 OXT GLY A 76 70.748 36.787 20.953 1.00 0.00 O ATOM 0 H GLY A 76 69.436 39.473 21.873 1.00 0.00 H new ATOM 0 HA2 GLY A 76 69.299 38.991 19.046 1.00 0.00 H new ATOM 0 HA3 GLY A 76 70.683 39.438 20.024 1.00 0.00 H new TER 1232 GLY A 76