USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 55 THR OG1 : rot -69:sc= 1.17 USER MOD Set 1.2: A 57 SER OG : rot -83:sc= 0.856 USER MOD Set 2.1: A 7 THR OG1 : rot 129:sc= 0.937 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.659 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 173:sc= 1.04 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 130:sc= 0.9 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -178:sc= 2.07 (180deg=2.06) USER MOD Single : A 2 GLN : amide:sc= 0.857 K(o=0.86,f=-0.5) USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 1.15 (180deg=0.366) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00785 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0731 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= 1.93 (180deg=0.967) USER MOD Single : A 29 LYS NZ :NH3+ -106:sc= 0.669 (180deg=0.0454) USER MOD Single : A 31 GLN : amide:sc= -0.648 K(o=-0.65,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= 1.1 (180deg=1.03) USER MOD Single : A 40 GLN : amide:sc=-0.000144 K(o=-0.00014,f=-1.8!) USER MOD Single : A 41 GLN : amide:sc= 1.23 K(o=1.2,f=-1.8) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.689 K(o=0.69,f=-7.3!) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.458 USER MOD Single : A 60 ASN : amide:sc= -0.0549 X(o=-0.055,f=-0.055) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 110:sc= 1.17 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.161 52.079 19.815 1.00 0.00 N ATOM 2 CA MET A 1 33.444 52.348 21.233 1.00 0.00 C ATOM 3 C MET A 1 34.939 52.610 21.427 1.00 0.00 C ATOM 4 O MET A 1 35.739 51.935 20.782 1.00 0.00 O ATOM 5 CB MET A 1 32.932 51.248 22.158 1.00 0.00 C ATOM 6 CG MET A 1 33.601 49.889 21.981 1.00 0.00 C ATOM 7 SD MET A 1 32.946 48.585 23.052 1.00 0.00 S ATOM 8 CE MET A 1 34.146 47.273 22.720 1.00 0.00 C ATOM 0 H1 MET A 1 32.139 51.936 19.686 1.00 0.00 H new ATOM 0 H2 MET A 1 33.473 52.887 19.239 1.00 0.00 H new ATOM 0 H3 MET A 1 33.671 51.224 19.515 1.00 0.00 H new ATOM 0 HA MET A 1 32.894 53.245 21.516 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.068 51.571 23.190 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.860 51.131 21.999 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.492 49.577 20.942 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.669 49.996 22.172 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.889 46.389 23.304 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.129 47.024 21.659 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.144 47.614 22.997 1.00 0.00 H new ATOM 20 N GLN A 2 35.329 53.533 22.302 1.00 0.00 N ATOM 21 CA GLN A 2 36.727 53.759 22.610 1.00 0.00 C ATOM 22 C GLN A 2 37.207 52.858 23.749 1.00 0.00 C ATOM 23 O GLN A 2 36.469 52.614 24.701 1.00 0.00 O ATOM 24 CB GLN A 2 37.052 55.239 22.792 1.00 0.00 C ATOM 25 CG GLN A 2 36.518 55.906 24.057 1.00 0.00 C ATOM 26 CD GLN A 2 36.967 57.360 24.213 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.619 57.956 23.358 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.649 58.015 25.325 1.00 0.00 N ATOM 0 H GLN A 2 34.685 54.139 22.811 1.00 0.00 H new ATOM 0 HA GLN A 2 37.312 53.459 21.740 1.00 0.00 H new ATOM 0 HB2 GLN A 2 38.136 55.354 22.778 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.663 55.782 21.931 1.00 0.00 H new ATOM 0 HG2 GLN A 2 35.429 55.869 24.046 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.848 55.336 24.926 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.109 57.550 26.054 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.945 58.983 25.449 1.00 0.00 H new ATOM 37 N ILE A 3 38.443 52.375 23.659 1.00 0.00 N ATOM 38 CA ILE A 3 39.131 51.654 24.710 1.00 0.00 C ATOM 39 C ILE A 3 40.541 52.212 24.918 1.00 0.00 C ATOM 40 O ILE A 3 41.133 52.776 24.001 1.00 0.00 O ATOM 41 CB ILE A 3 39.155 50.147 24.472 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.871 49.762 23.181 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.744 49.571 24.535 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.169 48.272 23.050 1.00 0.00 C ATOM 0 H ILE A 3 39.009 52.483 22.817 1.00 0.00 H new ATOM 0 HA ILE A 3 38.563 51.808 25.627 1.00 0.00 H new ATOM 0 HB ILE A 3 39.740 49.703 25.277 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.261 50.075 22.334 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.808 50.315 23.120 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.782 48.495 24.363 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.315 49.766 25.518 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.125 50.039 23.769 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.679 48.085 22.105 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.807 47.955 23.875 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.235 47.710 23.076 1.00 0.00 H new ATOM 56 N PHE A 4 41.075 52.026 26.122 1.00 0.00 N ATOM 57 CA PHE A 4 42.377 52.523 26.520 1.00 0.00 C ATOM 58 C PHE A 4 43.377 51.378 26.693 1.00 0.00 C ATOM 59 O PHE A 4 43.052 50.347 27.278 1.00 0.00 O ATOM 60 CB PHE A 4 42.246 53.345 27.799 1.00 0.00 C ATOM 61 CG PHE A 4 41.195 54.429 27.761 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.283 55.464 26.822 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.119 54.403 28.656 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.296 56.456 26.770 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.131 55.393 28.611 1.00 0.00 C ATOM 66 CZ PHE A 4 39.215 56.416 27.660 1.00 0.00 C ATOM 0 H PHE A 4 40.598 51.512 26.862 1.00 0.00 H new ATOM 0 HA PHE A 4 42.763 53.168 25.730 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.019 52.670 28.624 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.210 53.803 28.018 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.116 55.497 26.135 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.051 53.612 29.388 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.368 57.252 26.044 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.306 55.368 29.308 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.447 57.174 27.612 1.00 0.00 H new ATOM 76 N VAL A 5 44.610 51.555 26.228 1.00 0.00 N ATOM 77 CA VAL A 5 45.678 50.585 26.358 1.00 0.00 C ATOM 78 C VAL A 5 46.922 51.269 26.932 1.00 0.00 C ATOM 79 O VAL A 5 47.443 52.214 26.345 1.00 0.00 O ATOM 80 CB VAL A 5 45.975 49.883 25.037 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.920 48.706 25.264 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.728 49.337 24.348 1.00 0.00 C ATOM 0 H VAL A 5 44.896 52.403 25.738 1.00 0.00 H new ATOM 0 HA VAL A 5 45.357 49.805 27.049 1.00 0.00 H new ATOM 0 HB VAL A 5 46.422 50.643 24.396 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.123 48.214 24.313 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.855 49.067 25.693 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.458 47.995 25.949 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.012 48.851 23.415 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.239 48.614 25.000 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.041 50.156 24.136 1.00 0.00 H new ATOM 92 N LYS A 6 47.385 50.795 28.085 1.00 0.00 N ATOM 93 CA LYS A 6 48.498 51.344 28.833 1.00 0.00 C ATOM 94 C LYS A 6 49.823 50.656 28.497 1.00 0.00 C ATOM 95 O LYS A 6 49.914 49.431 28.556 1.00 0.00 O ATOM 96 CB LYS A 6 48.217 51.222 30.327 1.00 0.00 C ATOM 97 CG LYS A 6 47.034 52.017 30.872 1.00 0.00 C ATOM 98 CD LYS A 6 47.309 53.515 30.973 1.00 0.00 C ATOM 99 CE LYS A 6 46.147 54.185 31.700 1.00 0.00 C ATOM 100 NZ LYS A 6 46.371 55.624 31.911 1.00 0.00 N ATOM 0 H LYS A 6 46.972 49.981 28.539 1.00 0.00 H new ATOM 0 HA LYS A 6 48.598 52.392 28.552 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.054 50.169 30.557 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.112 51.531 30.867 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.169 51.856 30.228 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.772 51.635 31.859 1.00 0.00 H new ATOM 0 HD2 LYS A 6 48.241 53.691 31.510 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.428 53.944 29.978 1.00 0.00 H new ATOM 0 HE2 LYS A 6 45.232 54.043 31.125 1.00 0.00 H new ATOM 0 HE3 LYS A 6 45.996 53.699 32.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 45.509 56.056 32.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.157 55.759 32.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.606 56.075 31.004 1.00 0.00 H new ATOM 114 N THR A 7 50.860 51.435 28.204 1.00 0.00 N ATOM 115 CA THR A 7 52.214 50.963 27.992 1.00 0.00 C ATOM 116 C THR A 7 53.028 50.951 29.286 1.00 0.00 C ATOM 117 O THR A 7 52.722 51.690 30.219 1.00 0.00 O ATOM 118 CB THR A 7 52.951 51.777 26.932 1.00 0.00 C ATOM 119 OG1 THR A 7 53.361 53.021 27.451 1.00 0.00 O ATOM 120 CG2 THR A 7 52.130 52.030 25.671 1.00 0.00 C ATOM 0 H THR A 7 50.772 52.446 28.105 1.00 0.00 H new ATOM 0 HA THR A 7 52.116 49.938 27.633 1.00 0.00 H new ATOM 0 HB THR A 7 53.812 51.169 26.653 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.314 53.154 27.267 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.719 52.614 24.964 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.858 51.077 25.217 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.225 52.580 25.930 1.00 0.00 H new ATOM 128 N LEU A 8 54.104 50.171 29.349 1.00 0.00 N ATOM 129 CA LEU A 8 55.034 50.162 30.460 1.00 0.00 C ATOM 130 C LEU A 8 55.826 51.463 30.608 1.00 0.00 C ATOM 131 O LEU A 8 56.323 51.738 31.699 1.00 0.00 O ATOM 132 CB LEU A 8 55.968 48.961 30.343 1.00 0.00 C ATOM 133 CG LEU A 8 55.315 47.589 30.484 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.357 46.496 30.265 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.711 47.368 31.868 1.00 0.00 C ATOM 0 H LEU A 8 54.354 49.515 28.609 1.00 0.00 H new ATOM 0 HA LEU A 8 54.440 50.078 31.370 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.466 49.006 29.375 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.742 49.053 31.104 1.00 0.00 H new ATOM 0 HG LEU A 8 54.521 47.547 29.739 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.886 45.518 30.367 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.781 46.592 29.265 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.150 46.595 31.006 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.260 46.377 31.914 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.493 47.446 32.623 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.948 48.123 32.057 1.00 0.00 H new ATOM 147 N THR A 9 55.897 52.301 29.578 1.00 0.00 N ATOM 148 CA THR A 9 56.378 53.664 29.658 1.00 0.00 C ATOM 149 C THR A 9 55.342 54.675 30.154 1.00 0.00 C ATOM 150 O THR A 9 55.677 55.848 30.309 1.00 0.00 O ATOM 151 CB THR A 9 56.953 54.155 28.333 1.00 0.00 C ATOM 152 OG1 THR A 9 55.961 54.149 27.331 1.00 0.00 O ATOM 153 CG2 THR A 9 58.150 53.340 27.850 1.00 0.00 C ATOM 0 H THR A 9 55.610 52.035 28.636 1.00 0.00 H new ATOM 0 HA THR A 9 57.168 53.613 30.407 1.00 0.00 H new ATOM 0 HB THR A 9 57.303 55.170 28.520 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.346 54.468 26.488 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.507 53.745 26.903 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.948 53.391 28.591 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.851 52.301 27.711 1.00 0.00 H new ATOM 161 N GLY A 10 54.103 54.269 30.416 1.00 0.00 N ATOM 162 CA GLY A 10 53.048 55.104 30.953 1.00 0.00 C ATOM 163 C GLY A 10 52.153 55.796 29.923 1.00 0.00 C ATOM 164 O GLY A 10 51.250 56.530 30.317 1.00 0.00 O ATOM 0 H GLY A 10 53.800 53.309 30.251 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.419 54.491 31.598 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.502 55.869 31.583 1.00 0.00 H new ATOM 168 N LYS A 11 52.361 55.577 28.627 1.00 0.00 N ATOM 169 CA LYS A 11 51.536 56.126 27.571 1.00 0.00 C ATOM 170 C LYS A 11 50.147 55.485 27.585 1.00 0.00 C ATOM 171 O LYS A 11 50.031 54.275 27.765 1.00 0.00 O ATOM 172 CB LYS A 11 52.236 55.942 26.227 1.00 0.00 C ATOM 173 CG LYS A 11 51.547 56.680 25.083 1.00 0.00 C ATOM 174 CD LYS A 11 52.273 56.465 23.759 1.00 0.00 C ATOM 175 CE LYS A 11 51.619 57.287 22.652 1.00 0.00 C ATOM 176 NZ LYS A 11 52.312 57.097 21.368 1.00 0.00 N ATOM 0 H LYS A 11 53.127 54.999 28.281 1.00 0.00 H new ATOM 0 HA LYS A 11 51.396 57.194 27.736 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.265 56.293 26.310 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.280 54.879 25.990 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.517 56.334 24.994 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.507 57.746 25.308 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.320 56.750 23.861 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.254 55.408 23.495 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.573 56.998 22.550 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.633 58.343 22.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.693 57.405 20.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.186 57.660 21.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.547 56.091 21.246 1.00 0.00 H new ATOM 190 N THR A 12 49.101 56.269 27.338 1.00 0.00 N ATOM 191 CA THR A 12 47.766 55.776 27.061 1.00 0.00 C ATOM 192 C THR A 12 47.473 55.856 25.562 1.00 0.00 C ATOM 193 O THR A 12 47.278 56.937 25.009 1.00 0.00 O ATOM 194 CB THR A 12 46.693 56.517 27.854 1.00 0.00 C ATOM 195 OG1 THR A 12 46.949 56.424 29.237 1.00 0.00 O ATOM 196 CG2 THR A 12 45.310 55.907 27.649 1.00 0.00 C ATOM 0 H THR A 12 49.165 57.287 27.326 1.00 0.00 H new ATOM 0 HA THR A 12 47.735 54.734 27.381 1.00 0.00 H new ATOM 0 HB THR A 12 46.717 57.548 27.500 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.910 57.317 29.638 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.576 56.465 28.231 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.045 55.952 26.593 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.319 54.867 27.976 1.00 0.00 H new ATOM 204 N ILE A 13 47.415 54.704 24.902 1.00 0.00 N ATOM 205 CA ILE A 13 46.935 54.556 23.543 1.00 0.00 C ATOM 206 C ILE A 13 45.408 54.451 23.589 1.00 0.00 C ATOM 207 O ILE A 13 44.871 53.709 24.408 1.00 0.00 O ATOM 208 CB ILE A 13 47.576 53.336 22.888 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.102 53.363 22.915 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.096 53.208 21.444 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.739 51.988 22.735 1.00 0.00 C ATOM 0 H ILE A 13 47.712 53.821 25.317 1.00 0.00 H new ATOM 0 HA ILE A 13 47.212 55.418 22.936 1.00 0.00 H new ATOM 0 HB ILE A 13 47.264 52.472 23.475 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.460 54.026 22.127 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.433 53.787 23.863 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.558 52.335 20.983 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.012 53.095 21.430 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.375 54.103 20.887 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.824 52.083 22.765 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.411 51.327 23.537 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.438 51.570 21.774 1.00 0.00 H new ATOM 223 N THR A 14 44.701 55.181 22.732 1.00 0.00 N ATOM 224 CA THR A 14 43.257 55.140 22.613 1.00 0.00 C ATOM 225 C THR A 14 42.869 54.576 21.244 1.00 0.00 C ATOM 226 O THR A 14 43.437 54.981 20.232 1.00 0.00 O ATOM 227 CB THR A 14 42.627 56.511 22.834 1.00 0.00 C ATOM 228 OG1 THR A 14 43.090 57.090 24.034 1.00 0.00 O ATOM 229 CG2 THR A 14 41.105 56.454 22.933 1.00 0.00 C ATOM 0 H THR A 14 45.136 55.837 22.083 1.00 0.00 H new ATOM 0 HA THR A 14 42.871 54.486 23.395 1.00 0.00 H new ATOM 0 HB THR A 14 42.915 57.104 21.966 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.674 57.969 24.155 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.713 57.459 23.090 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.695 56.045 22.009 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.818 55.818 23.770 1.00 0.00 H new ATOM 237 N LEU A 15 41.932 53.633 21.210 1.00 0.00 N ATOM 238 CA LEU A 15 41.526 52.920 20.016 1.00 0.00 C ATOM 239 C LEU A 15 40.001 52.918 19.890 1.00 0.00 C ATOM 240 O LEU A 15 39.323 52.621 20.870 1.00 0.00 O ATOM 241 CB LEU A 15 42.044 51.486 20.079 1.00 0.00 C ATOM 242 CG LEU A 15 43.542 51.320 20.323 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.876 49.858 20.601 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.391 51.764 19.135 1.00 0.00 C ATOM 0 H LEU A 15 41.422 53.339 22.043 1.00 0.00 H new ATOM 0 HA LEU A 15 41.946 53.420 19.143 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.508 50.963 20.871 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.793 50.990 19.142 1.00 0.00 H new ATOM 0 HG LEU A 15 43.775 51.953 21.179 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.948 49.756 20.773 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.333 49.522 21.485 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.586 49.249 19.744 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.446 51.622 19.369 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.130 51.170 18.259 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.204 52.818 18.928 1.00 0.00 H new ATOM 256 N GLU A 16 39.454 53.196 18.710 1.00 0.00 N ATOM 257 CA GLU A 16 38.033 53.124 18.438 1.00 0.00 C ATOM 258 C GLU A 16 37.700 51.791 17.767 1.00 0.00 C ATOM 259 O GLU A 16 38.029 51.556 16.605 1.00 0.00 O ATOM 260 CB GLU A 16 37.595 54.327 17.607 1.00 0.00 C ATOM 261 CG GLU A 16 36.086 54.432 17.408 1.00 0.00 C ATOM 262 CD GLU A 16 35.350 55.115 18.562 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.653 56.290 18.866 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.376 54.528 19.081 1.00 0.00 O ATOM 0 H GLU A 16 40.005 53.484 17.901 1.00 0.00 H new ATOM 0 HA GLU A 16 37.474 53.164 19.373 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.951 55.237 18.090 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.076 54.275 16.630 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.889 54.983 16.489 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.678 53.431 17.273 1.00 0.00 H new ATOM 271 N VAL A 17 37.056 50.896 18.511 1.00 0.00 N ATOM 272 CA VAL A 17 36.854 49.495 18.195 1.00 0.00 C ATOM 273 C VAL A 17 35.373 49.115 18.218 1.00 0.00 C ATOM 274 O VAL A 17 34.537 49.844 18.747 1.00 0.00 O ATOM 275 CB VAL A 17 37.654 48.612 19.149 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.142 48.948 19.143 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.155 48.695 20.589 1.00 0.00 C ATOM 0 H VAL A 17 36.637 51.151 19.405 1.00 0.00 H new ATOM 0 HA VAL A 17 37.215 49.331 17.180 1.00 0.00 H new ATOM 0 HB VAL A 17 37.506 47.599 18.775 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.666 48.292 19.838 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.543 48.808 18.139 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.282 49.985 19.448 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.761 48.047 21.222 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.233 49.723 20.942 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.114 48.374 20.632 1.00 0.00 H new ATOM 287 N GLU A 18 35.047 47.935 17.697 1.00 0.00 N ATOM 288 CA GLU A 18 33.773 47.271 17.887 1.00 0.00 C ATOM 289 C GLU A 18 33.932 46.035 18.775 1.00 0.00 C ATOM 290 O GLU A 18 34.962 45.369 18.713 1.00 0.00 O ATOM 291 CB GLU A 18 33.190 46.854 16.540 1.00 0.00 C ATOM 292 CG GLU A 18 32.757 48.004 15.635 1.00 0.00 C ATOM 293 CD GLU A 18 31.559 48.768 16.203 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.487 48.167 16.431 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.655 49.998 16.404 1.00 0.00 O ATOM 0 H GLU A 18 35.689 47.401 17.111 1.00 0.00 H new ATOM 0 HA GLU A 18 33.096 47.972 18.375 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.932 46.256 16.011 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.329 46.210 16.719 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.592 48.691 15.499 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.502 47.613 14.650 1.00 0.00 H new ATOM 302 N PRO A 19 32.915 45.639 19.535 1.00 0.00 N ATOM 303 CA PRO A 19 32.924 44.405 20.295 1.00 0.00 C ATOM 304 C PRO A 19 32.989 43.143 19.433 1.00 0.00 C ATOM 305 O PRO A 19 33.304 42.071 19.943 1.00 0.00 O ATOM 306 CB PRO A 19 31.663 44.461 21.153 1.00 0.00 C ATOM 307 CG PRO A 19 30.704 45.321 20.337 1.00 0.00 C ATOM 308 CD PRO A 19 31.657 46.336 19.714 1.00 0.00 C ATOM 0 HA PRO A 19 33.829 44.333 20.898 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.255 43.466 21.330 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.863 44.902 22.130 1.00 0.00 H new ATOM 0 HG2 PRO A 19 30.174 44.740 19.582 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.949 45.798 20.962 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.272 46.700 18.761 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.780 47.205 20.361 1.00 0.00 H new ATOM 316 N SER A 20 32.736 43.255 18.132 1.00 0.00 N ATOM 317 CA SER A 20 32.888 42.209 17.140 1.00 0.00 C ATOM 318 C SER A 20 34.290 42.101 16.537 1.00 0.00 C ATOM 319 O SER A 20 34.544 41.180 15.762 1.00 0.00 O ATOM 320 CB SER A 20 31.853 42.421 16.041 1.00 0.00 C ATOM 321 OG SER A 20 31.940 43.716 15.490 1.00 0.00 O ATOM 0 H SER A 20 32.401 44.128 17.725 1.00 0.00 H new ATOM 0 HA SER A 20 32.729 41.262 17.656 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.999 41.680 15.255 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.853 42.264 16.446 1.00 0.00 H new ATOM 0 HG SER A 20 31.264 43.819 14.788 1.00 0.00 H new ATOM 327 N ASP A 21 35.209 43.005 16.862 1.00 0.00 N ATOM 328 CA ASP A 21 36.569 42.971 16.363 1.00 0.00 C ATOM 329 C ASP A 21 37.408 41.895 17.057 1.00 0.00 C ATOM 330 O ASP A 21 37.259 41.641 18.250 1.00 0.00 O ATOM 331 CB ASP A 21 37.242 44.333 16.503 1.00 0.00 C ATOM 332 CG ASP A 21 36.668 45.384 15.552 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.244 45.024 14.432 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.727 46.592 15.870 1.00 0.00 O ATOM 0 H ASP A 21 35.022 43.789 17.487 1.00 0.00 H new ATOM 0 HA ASP A 21 36.509 42.717 15.305 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.133 44.682 17.530 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.310 44.225 16.315 1.00 0.00 H new ATOM 339 N THR A 22 38.337 41.300 16.314 1.00 0.00 N ATOM 340 CA THR A 22 39.334 40.399 16.856 1.00 0.00 C ATOM 341 C THR A 22 40.412 41.131 17.658 1.00 0.00 C ATOM 342 O THR A 22 40.755 42.272 17.358 1.00 0.00 O ATOM 343 CB THR A 22 39.999 39.531 15.792 1.00 0.00 C ATOM 344 OG1 THR A 22 40.546 40.279 14.729 1.00 0.00 O ATOM 345 CG2 THR A 22 39.031 38.516 15.192 1.00 0.00 C ATOM 0 H THR A 22 38.414 41.436 15.306 1.00 0.00 H new ATOM 0 HA THR A 22 38.778 39.746 17.529 1.00 0.00 H new ATOM 0 HB THR A 22 40.803 39.020 16.322 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.959 39.672 14.080 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.548 37.921 14.440 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.657 37.861 15.979 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.195 39.040 14.728 1.00 0.00 H new ATOM 353 N ILE A 23 41.022 40.441 18.618 1.00 0.00 N ATOM 354 CA ILE A 23 42.180 40.928 19.341 1.00 0.00 C ATOM 355 C ILE A 23 43.302 41.316 18.377 1.00 0.00 C ATOM 356 O ILE A 23 43.919 42.364 18.558 1.00 0.00 O ATOM 357 CB ILE A 23 42.620 39.886 20.364 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.597 39.665 21.475 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.991 40.176 20.968 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.315 40.855 22.388 1.00 0.00 C ATOM 0 H ILE A 23 40.716 39.514 18.916 1.00 0.00 H new ATOM 0 HA ILE A 23 41.915 41.835 19.884 1.00 0.00 H new ATOM 0 HB ILE A 23 42.696 38.963 19.790 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.657 39.356 21.017 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.938 38.834 22.093 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.244 39.397 21.687 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.740 40.196 20.177 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.970 41.142 21.472 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.573 40.573 23.135 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.236 41.157 22.887 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.935 41.687 21.795 1.00 0.00 H new ATOM 372 N GLU A 24 43.529 40.553 17.311 1.00 0.00 N ATOM 373 CA GLU A 24 44.504 40.926 16.306 1.00 0.00 C ATOM 374 C GLU A 24 44.132 42.182 15.517 1.00 0.00 C ATOM 375 O GLU A 24 45.018 42.983 15.230 1.00 0.00 O ATOM 376 CB GLU A 24 44.786 39.752 15.372 1.00 0.00 C ATOM 377 CG GLU A 24 45.926 40.082 14.413 1.00 0.00 C ATOM 378 CD GLU A 24 46.344 38.857 13.597 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.997 37.944 14.148 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.048 38.819 12.384 1.00 0.00 O ATOM 0 H GLU A 24 43.047 39.673 17.126 1.00 0.00 H new ATOM 0 HA GLU A 24 45.415 41.182 16.847 1.00 0.00 H new ATOM 0 HB2 GLU A 24 45.042 38.869 15.958 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.887 39.509 14.805 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.616 40.881 13.739 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.781 40.454 14.977 1.00 0.00 H new ATOM 387 N ASN A 25 42.861 42.421 15.204 1.00 0.00 N ATOM 388 CA ASN A 25 42.455 43.648 14.549 1.00 0.00 C ATOM 389 C ASN A 25 42.766 44.881 15.401 1.00 0.00 C ATOM 390 O ASN A 25 43.191 45.903 14.866 1.00 0.00 O ATOM 391 CB ASN A 25 40.977 43.566 14.184 1.00 0.00 C ATOM 392 CG ASN A 25 40.494 44.825 13.460 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.885 45.719 14.045 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.772 44.938 12.165 1.00 0.00 N ATOM 0 H ASN A 25 42.096 41.774 15.397 1.00 0.00 H new ATOM 0 HA ASN A 25 43.034 43.761 13.633 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.808 42.696 13.550 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.388 43.420 15.089 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.480 45.769 11.651 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.277 44.193 11.685 1.00 0.00 H new ATOM 401 N VAL A 26 42.645 44.761 16.719 1.00 0.00 N ATOM 402 CA VAL A 26 43.003 45.796 17.668 1.00 0.00 C ATOM 403 C VAL A 26 44.521 45.942 17.788 1.00 0.00 C ATOM 404 O VAL A 26 45.009 47.068 17.711 1.00 0.00 O ATOM 405 CB VAL A 26 42.309 45.562 19.007 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.618 46.645 20.035 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.793 45.545 18.828 1.00 0.00 C ATOM 0 H VAL A 26 42.285 43.916 17.163 1.00 0.00 H new ATOM 0 HA VAL A 26 42.642 46.754 17.294 1.00 0.00 H new ATOM 0 HB VAL A 26 42.686 44.605 19.367 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.096 46.423 20.966 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.692 46.676 20.220 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.287 47.612 19.655 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.315 45.377 19.793 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.464 46.501 18.421 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.517 44.745 18.142 1.00 0.00 H new ATOM 417 N LYS A 27 45.292 44.860 17.841 1.00 0.00 N ATOM 418 CA LYS A 27 46.736 44.903 17.722 1.00 0.00 C ATOM 419 C LYS A 27 47.207 45.555 16.421 1.00 0.00 C ATOM 420 O LYS A 27 48.202 46.275 16.412 1.00 0.00 O ATOM 421 CB LYS A 27 47.346 43.507 17.812 1.00 0.00 C ATOM 422 CG LYS A 27 47.281 42.871 19.197 1.00 0.00 C ATOM 423 CD LYS A 27 47.916 41.484 19.148 1.00 0.00 C ATOM 424 CE LYS A 27 47.925 40.823 20.524 1.00 0.00 C ATOM 425 NZ LYS A 27 48.549 39.493 20.467 1.00 0.00 N ATOM 0 H LYS A 27 44.921 43.919 17.970 1.00 0.00 H new ATOM 0 HA LYS A 27 47.076 45.514 18.558 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.834 42.855 17.104 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.389 43.560 17.500 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.803 43.497 19.921 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.245 42.797 19.527 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.368 40.856 18.445 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.937 41.563 18.775 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.467 41.453 21.230 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.904 40.734 20.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.150 38.890 21.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.364 39.062 19.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.575 39.585 20.607 1.00 0.00 H new ATOM 439 N ALA A 28 46.484 45.361 15.321 1.00 0.00 N ATOM 440 CA ALA A 28 46.765 45.998 14.051 1.00 0.00 C ATOM 441 C ALA A 28 46.419 47.488 14.038 1.00 0.00 C ATOM 442 O ALA A 28 47.099 48.251 13.356 1.00 0.00 O ATOM 443 CB ALA A 28 46.071 45.198 12.951 1.00 0.00 C ATOM 0 H ALA A 28 45.672 44.744 15.294 1.00 0.00 H new ATOM 0 HA ALA A 28 47.840 45.985 13.869 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.269 45.661 11.984 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.451 44.176 12.949 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.996 45.185 13.133 1.00 0.00 H new ATOM 449 N LYS A 29 45.460 47.955 14.831 1.00 0.00 N ATOM 450 CA LYS A 29 45.252 49.375 15.031 1.00 0.00 C ATOM 451 C LYS A 29 46.381 50.014 15.842 1.00 0.00 C ATOM 452 O LYS A 29 46.779 51.130 15.517 1.00 0.00 O ATOM 453 CB LYS A 29 43.878 49.678 15.622 1.00 0.00 C ATOM 454 CG LYS A 29 42.767 49.484 14.594 1.00 0.00 C ATOM 455 CD LYS A 29 41.414 50.020 15.054 1.00 0.00 C ATOM 456 CE LYS A 29 40.429 49.854 13.901 1.00 0.00 C ATOM 457 NZ LYS A 29 39.047 50.175 14.291 1.00 0.00 N ATOM 0 H LYS A 29 44.812 47.360 15.347 1.00 0.00 H new ATOM 0 HA LYS A 29 45.276 49.836 14.044 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.699 49.028 16.479 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.858 50.704 15.990 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.050 49.981 13.666 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.671 48.422 14.370 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.067 49.477 15.933 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.496 51.069 15.338 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.729 50.499 13.075 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.471 48.828 13.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.498 49.296 14.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.051 50.675 15.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.614 50.781 13.566 1.00 0.00 H new ATOM 471 N ILE A 30 46.939 49.296 16.811 1.00 0.00 N ATOM 472 CA ILE A 30 48.163 49.664 17.495 1.00 0.00 C ATOM 473 C ILE A 30 49.340 49.672 16.518 1.00 0.00 C ATOM 474 O ILE A 30 50.099 50.639 16.515 1.00 0.00 O ATOM 475 CB ILE A 30 48.424 48.785 18.715 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.312 48.941 19.748 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.781 49.081 19.346 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.353 47.930 20.890 1.00 0.00 C ATOM 0 H ILE A 30 46.538 48.420 17.147 1.00 0.00 H new ATOM 0 HA ILE A 30 48.045 50.678 17.878 1.00 0.00 H new ATOM 0 HB ILE A 30 48.436 47.751 18.370 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.364 49.945 20.169 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.350 48.857 19.242 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.929 48.435 20.211 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.570 48.897 18.616 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.816 50.124 19.662 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.525 48.119 21.573 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.267 46.921 20.486 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.296 48.026 21.428 1.00 0.00 H new ATOM 490 N GLN A 31 49.482 48.677 15.645 1.00 0.00 N ATOM 491 CA GLN A 31 50.518 48.629 14.635 1.00 0.00 C ATOM 492 C GLN A 31 50.512 49.892 13.771 1.00 0.00 C ATOM 493 O GLN A 31 51.552 50.527 13.612 1.00 0.00 O ATOM 494 CB GLN A 31 50.354 47.389 13.760 1.00 0.00 C ATOM 495 CG GLN A 31 51.446 47.223 12.709 1.00 0.00 C ATOM 496 CD GLN A 31 51.101 46.235 11.593 1.00 0.00 C ATOM 497 OE1 GLN A 31 49.962 45.833 11.367 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.091 45.776 10.832 1.00 0.00 N ATOM 0 H GLN A 31 48.862 47.867 15.626 1.00 0.00 H new ATOM 0 HA GLN A 31 51.479 48.575 15.146 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.341 46.506 14.398 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.387 47.435 13.260 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.657 48.196 12.265 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.360 46.892 13.201 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.047 46.091 10.995 1.00 0.00 H new ATOM 0 HE22 GLN A 31 51.894 45.109 10.086 1.00 0.00 H new ATOM 507 N ASP A 32 49.358 50.271 13.228 1.00 0.00 N ATOM 508 CA ASP A 32 49.255 51.396 12.321 1.00 0.00 C ATOM 509 C ASP A 32 49.624 52.733 12.967 1.00 0.00 C ATOM 510 O ASP A 32 50.228 53.570 12.298 1.00 0.00 O ATOM 511 CB ASP A 32 47.843 51.430 11.745 1.00 0.00 C ATOM 512 CG ASP A 32 47.760 52.244 10.451 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.282 51.770 9.419 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.132 53.325 10.433 1.00 0.00 O ATOM 0 H ASP A 32 48.470 49.802 13.409 1.00 0.00 H new ATOM 0 HA ASP A 32 49.984 51.254 11.524 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.508 50.411 11.552 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.163 51.855 12.483 1.00 0.00 H new ATOM 519 N LYS A 33 49.308 52.936 14.243 1.00 0.00 N ATOM 520 CA LYS A 33 49.533 54.189 14.934 1.00 0.00 C ATOM 521 C LYS A 33 50.785 54.260 15.811 1.00 0.00 C ATOM 522 O LYS A 33 51.234 55.368 16.095 1.00 0.00 O ATOM 523 CB LYS A 33 48.254 54.633 15.638 1.00 0.00 C ATOM 524 CG LYS A 33 48.013 53.988 17.000 1.00 0.00 C ATOM 525 CD LYS A 33 46.571 54.118 17.482 1.00 0.00 C ATOM 526 CE LYS A 33 46.065 55.556 17.514 1.00 0.00 C ATOM 527 NZ LYS A 33 44.617 55.619 17.766 1.00 0.00 N ATOM 0 H LYS A 33 48.882 52.219 14.830 1.00 0.00 H new ATOM 0 HA LYS A 33 49.776 54.920 14.162 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.283 55.715 15.765 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.405 54.411 14.992 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.277 52.932 16.946 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.677 54.445 17.734 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.925 53.529 16.831 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.491 53.691 18.482 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.594 56.110 18.290 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.290 56.042 16.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.280 56.591 17.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.123 54.975 17.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.423 55.335 18.747 1.00 0.00 H new ATOM 541 N GLU A 34 51.369 53.141 16.230 1.00 0.00 N ATOM 542 CA GLU A 34 52.537 53.061 17.084 1.00 0.00 C ATOM 543 C GLU A 34 53.737 52.348 16.456 1.00 0.00 C ATOM 544 O GLU A 34 54.812 52.332 17.051 1.00 0.00 O ATOM 545 CB GLU A 34 52.191 52.364 18.397 1.00 0.00 C ATOM 546 CG GLU A 34 51.086 52.998 19.236 1.00 0.00 C ATOM 547 CD GLU A 34 51.457 54.379 19.779 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.554 54.531 20.357 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.652 55.331 19.682 1.00 0.00 O ATOM 0 H GLU A 34 51.017 52.221 15.966 1.00 0.00 H new ATOM 0 HA GLU A 34 52.834 54.096 17.250 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.901 51.338 18.172 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.094 52.314 19.005 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.183 53.083 18.631 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.849 52.338 20.071 1.00 0.00 H new ATOM 556 N GLY A 35 53.593 51.726 15.289 1.00 0.00 N ATOM 557 CA GLY A 35 54.681 51.075 14.586 1.00 0.00 C ATOM 558 C GLY A 35 55.039 49.663 15.052 1.00 0.00 C ATOM 559 O GLY A 35 56.024 49.111 14.568 1.00 0.00 O ATOM 0 H GLY A 35 52.699 51.662 14.802 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.427 51.032 13.527 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.569 51.700 14.675 1.00 0.00 H new ATOM 563 N ILE A 36 54.284 49.067 15.971 1.00 0.00 N ATOM 564 CA ILE A 36 54.619 47.819 16.625 1.00 0.00 C ATOM 565 C ILE A 36 54.020 46.629 15.873 1.00 0.00 C ATOM 566 O ILE A 36 52.795 46.549 15.811 1.00 0.00 O ATOM 567 CB ILE A 36 54.170 47.830 18.083 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.672 49.049 18.853 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.667 46.554 18.756 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.077 49.209 20.249 1.00 0.00 C ATOM 0 H ILE A 36 53.396 49.457 16.286 1.00 0.00 H new ATOM 0 HA ILE A 36 55.704 47.711 16.610 1.00 0.00 H new ATOM 0 HB ILE A 36 53.081 47.882 18.095 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.757 48.986 18.940 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.450 49.945 18.273 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.354 46.547 19.800 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.248 45.687 18.246 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.755 46.515 18.704 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.491 50.100 20.721 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.994 49.308 20.174 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.321 48.334 20.851 1.00 0.00 H new ATOM 582 N PRO A 37 54.787 45.666 15.369 1.00 0.00 N ATOM 583 CA PRO A 37 54.253 44.505 14.685 1.00 0.00 C ATOM 584 C PRO A 37 53.283 43.695 15.547 1.00 0.00 C ATOM 585 O PRO A 37 53.595 43.473 16.714 1.00 0.00 O ATOM 586 CB PRO A 37 55.452 43.650 14.287 1.00 0.00 C ATOM 587 CG PRO A 37 56.604 44.649 14.234 1.00 0.00 C ATOM 588 CD PRO A 37 56.236 45.636 15.338 1.00 0.00 C ATOM 0 HA PRO A 37 53.672 44.828 13.821 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.640 42.860 15.014 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.297 43.166 13.323 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.565 44.170 14.421 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.675 45.136 13.261 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.642 45.319 16.299 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.644 46.625 15.131 1.00 0.00 H new ATOM 596 N PRO A 38 52.152 43.208 15.044 1.00 0.00 N ATOM 597 CA PRO A 38 51.200 42.456 15.836 1.00 0.00 C ATOM 598 C PRO A 38 51.775 41.189 16.474 1.00 0.00 C ATOM 599 O PRO A 38 51.432 40.891 17.617 1.00 0.00 O ATOM 600 CB PRO A 38 50.017 42.150 14.923 1.00 0.00 C ATOM 601 CG PRO A 38 50.064 43.294 13.913 1.00 0.00 C ATOM 602 CD PRO A 38 51.563 43.538 13.762 1.00 0.00 C ATOM 0 HA PRO A 38 50.897 43.056 16.694 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.120 41.179 14.439 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.076 42.134 15.472 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.600 43.019 12.966 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.543 44.179 14.278 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.981 42.918 12.969 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.765 44.575 13.495 1.00 0.00 H new ATOM 610 N ASP A 39 52.704 40.492 15.827 1.00 0.00 N ATOM 611 CA ASP A 39 53.394 39.355 16.403 1.00 0.00 C ATOM 612 C ASP A 39 54.276 39.702 17.605 1.00 0.00 C ATOM 613 O ASP A 39 54.649 38.824 18.379 1.00 0.00 O ATOM 614 CB ASP A 39 54.182 38.600 15.337 1.00 0.00 C ATOM 615 CG ASP A 39 55.524 39.238 14.970 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.654 39.784 13.854 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.502 39.092 15.734 1.00 0.00 O ATOM 0 H ASP A 39 52.999 40.708 14.875 1.00 0.00 H new ATOM 0 HA ASP A 39 52.614 38.702 16.796 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.361 37.583 15.687 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.572 38.524 14.437 1.00 0.00 H new ATOM 622 N GLN A 40 54.580 40.982 17.801 1.00 0.00 N ATOM 623 CA GLN A 40 55.406 41.497 18.874 1.00 0.00 C ATOM 624 C GLN A 40 54.591 41.989 20.071 1.00 0.00 C ATOM 625 O GLN A 40 55.180 42.342 21.090 1.00 0.00 O ATOM 626 CB GLN A 40 56.329 42.568 18.302 1.00 0.00 C ATOM 627 CG GLN A 40 57.663 42.636 19.040 1.00 0.00 C ATOM 628 CD GLN A 40 58.643 43.629 18.412 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.969 44.666 18.984 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.214 43.343 17.245 1.00 0.00 N ATOM 0 H GLN A 40 54.238 41.718 17.183 1.00 0.00 H new ATOM 0 HA GLN A 40 56.011 40.685 19.278 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.510 42.363 17.247 1.00 0.00 H new ATOM 0 HB3 GLN A 40 55.835 43.538 18.358 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.484 42.917 20.078 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.116 41.645 19.052 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.961 42.488 16.749 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.905 43.979 16.846 1.00 0.00 H new ATOM 639 N GLN A 41 53.262 42.003 20.003 1.00 0.00 N ATOM 640 CA GLN A 41 52.390 42.540 21.027 1.00 0.00 C ATOM 641 C GLN A 41 51.718 41.443 21.857 1.00 0.00 C ATOM 642 O GLN A 41 51.084 40.551 21.300 1.00 0.00 O ATOM 643 CB GLN A 41 51.299 43.401 20.395 1.00 0.00 C ATOM 644 CG GLN A 41 51.777 44.616 19.606 1.00 0.00 C ATOM 645 CD GLN A 41 50.605 45.339 18.941 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.517 45.455 19.502 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.736 45.834 17.713 1.00 0.00 N ATOM 0 H GLN A 41 52.752 41.627 19.204 1.00 0.00 H new ATOM 0 HA GLN A 41 53.019 43.137 21.687 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.707 42.772 19.731 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.633 43.746 21.186 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.301 45.302 20.272 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.492 44.301 18.846 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.627 45.753 17.223 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.946 46.295 17.262 1.00 0.00 H new ATOM 656 N ARG A 42 51.732 41.571 23.181 1.00 0.00 N ATOM 657 CA ARG A 42 50.881 40.855 24.108 1.00 0.00 C ATOM 658 C ARG A 42 49.874 41.833 24.718 1.00 0.00 C ATOM 659 O ARG A 42 50.285 42.868 25.238 1.00 0.00 O ATOM 660 CB ARG A 42 51.713 40.216 25.216 1.00 0.00 C ATOM 661 CG ARG A 42 52.721 39.175 24.738 1.00 0.00 C ATOM 662 CD ARG A 42 53.565 38.683 25.910 1.00 0.00 C ATOM 663 NE ARG A 42 54.497 37.621 25.530 1.00 0.00 N ATOM 664 CZ ARG A 42 54.208 36.340 25.265 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.976 35.826 25.385 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.170 35.512 24.834 1.00 0.00 N ATOM 0 H ARG A 42 52.371 42.210 23.653 1.00 0.00 H new ATOM 0 HA ARG A 42 50.356 40.064 23.572 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.248 41.002 25.749 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.039 39.747 25.933 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.198 38.336 24.279 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.365 39.607 23.972 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.125 39.521 26.325 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.907 38.318 26.698 1.00 0.00 H new ATOM 0 HE ARG A 42 55.479 37.886 25.459 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.204 36.418 25.691 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.810 34.843 25.170 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.121 35.857 24.708 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.951 34.537 24.632 1.00 0.00 H new ATOM 680 N LEU A 43 48.584 41.512 24.680 1.00 0.00 N ATOM 681 CA LEU A 43 47.534 42.278 25.319 1.00 0.00 C ATOM 682 C LEU A 43 46.971 41.523 26.524 1.00 0.00 C ATOM 683 O LEU A 43 46.685 40.332 26.432 1.00 0.00 O ATOM 684 CB LEU A 43 46.445 42.659 24.319 1.00 0.00 C ATOM 685 CG LEU A 43 46.880 43.643 23.237 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.714 43.898 22.287 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.315 44.999 23.786 1.00 0.00 C ATOM 0 H LEU A 43 48.237 40.688 24.189 1.00 0.00 H new ATOM 0 HA LEU A 43 47.963 43.209 25.690 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.080 41.751 23.838 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.606 43.090 24.865 1.00 0.00 H new ATOM 0 HG LEU A 43 47.734 43.184 22.739 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.022 44.601 21.513 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.410 42.959 21.824 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.876 44.316 22.844 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.611 45.648 22.961 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.486 45.455 24.327 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.159 44.864 24.462 1.00 0.00 H new ATOM 699 N ILE A 44 46.830 42.221 27.649 1.00 0.00 N ATOM 700 CA ILE A 44 46.491 41.655 28.939 1.00 0.00 C ATOM 701 C ILE A 44 45.317 42.411 29.564 1.00 0.00 C ATOM 702 O ILE A 44 45.270 43.638 29.509 1.00 0.00 O ATOM 703 CB ILE A 44 47.689 41.611 29.885 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.029 41.397 29.186 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.465 40.535 30.942 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.251 41.284 30.093 1.00 0.00 C ATOM 0 H ILE A 44 46.955 43.233 27.681 1.00 0.00 H new ATOM 0 HA ILE A 44 46.188 40.621 28.773 1.00 0.00 H new ATOM 0 HB ILE A 44 47.754 42.596 30.348 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.962 40.489 28.587 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.191 42.224 28.495 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.320 40.504 31.617 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.563 40.765 31.510 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.351 39.566 30.456 1.00 0.00 H new ATOM 0 HD11 ILE A 44 51.143 41.134 29.485 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.358 42.200 30.675 1.00 0.00 H new ATOM 0 HD13 ILE A 44 50.126 40.438 30.768 1.00 0.00 H new ATOM 718 N PHE A 45 44.374 41.681 30.153 1.00 0.00 N ATOM 719 CA PHE A 45 43.297 42.207 30.966 1.00 0.00 C ATOM 720 C PHE A 45 42.818 41.175 31.990 1.00 0.00 C ATOM 721 O PHE A 45 42.676 40.003 31.651 1.00 0.00 O ATOM 722 CB PHE A 45 42.144 42.647 30.069 1.00 0.00 C ATOM 723 CG PHE A 45 40.909 43.113 30.803 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.998 44.149 31.741 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.672 42.500 30.573 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.866 44.566 32.452 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.535 42.919 31.276 1.00 0.00 C ATOM 728 CZ PHE A 45 38.631 43.949 32.219 1.00 0.00 C ATOM 0 H PHE A 45 44.344 40.665 30.069 1.00 0.00 H new ATOM 0 HA PHE A 45 43.671 43.069 31.519 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.492 43.454 29.424 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.871 41.816 29.419 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.948 44.631 31.918 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.594 41.701 29.851 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.945 45.361 33.178 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.582 42.446 31.090 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.755 44.267 32.765 1.00 0.00 H new ATOM 738 N ALA A 46 42.520 41.600 33.214 1.00 0.00 N ATOM 739 CA ALA A 46 42.009 40.774 34.289 1.00 0.00 C ATOM 740 C ALA A 46 42.821 39.501 34.532 1.00 0.00 C ATOM 741 O ALA A 46 42.275 38.412 34.694 1.00 0.00 O ATOM 742 CB ALA A 46 40.509 40.565 34.103 1.00 0.00 C ATOM 0 H ALA A 46 42.636 42.575 33.490 1.00 0.00 H new ATOM 0 HA ALA A 46 42.142 41.307 35.230 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.125 39.944 34.912 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.003 41.530 34.115 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.326 40.072 33.148 1.00 0.00 H new ATOM 748 N GLY A 47 44.146 39.616 34.502 1.00 0.00 N ATOM 749 CA GLY A 47 45.090 38.534 34.697 1.00 0.00 C ATOM 750 C GLY A 47 45.284 37.596 33.504 1.00 0.00 C ATOM 751 O GLY A 47 46.188 36.764 33.547 1.00 0.00 O ATOM 0 H GLY A 47 44.606 40.510 34.333 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.057 38.964 34.958 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.763 37.941 35.551 1.00 0.00 H new ATOM 755 N LYS A 48 44.496 37.731 32.441 1.00 0.00 N ATOM 756 CA LYS A 48 44.519 36.874 31.273 1.00 0.00 C ATOM 757 C LYS A 48 45.246 37.536 30.100 1.00 0.00 C ATOM 758 O LYS A 48 44.995 38.700 29.798 1.00 0.00 O ATOM 759 CB LYS A 48 43.108 36.501 30.829 1.00 0.00 C ATOM 760 CG LYS A 48 42.234 35.845 31.895 1.00 0.00 C ATOM 761 CD LYS A 48 40.894 35.443 31.286 1.00 0.00 C ATOM 762 CE LYS A 48 39.923 34.916 32.337 1.00 0.00 C ATOM 763 NZ LYS A 48 38.547 34.911 31.817 1.00 0.00 N ATOM 0 H LYS A 48 43.798 38.472 32.373 1.00 0.00 H new ATOM 0 HA LYS A 48 45.058 35.972 31.564 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.606 37.403 30.478 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.181 35.824 29.977 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.737 34.968 32.302 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.075 36.535 32.724 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.452 36.303 30.783 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.056 34.678 30.526 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.210 33.906 32.631 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.977 35.536 33.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.901 34.549 32.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.270 35.880 31.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.496 34.301 30.976 1.00 0.00 H new ATOM 777 N GLN A 49 46.047 36.763 29.372 1.00 0.00 N ATOM 778 CA GLN A 49 46.529 37.155 28.063 1.00 0.00 C ATOM 779 C GLN A 49 45.486 36.864 26.981 1.00 0.00 C ATOM 780 O GLN A 49 45.010 35.739 26.845 1.00 0.00 O ATOM 781 CB GLN A 49 47.861 36.483 27.743 1.00 0.00 C ATOM 782 CG GLN A 49 49.017 37.292 28.325 1.00 0.00 C ATOM 783 CD GLN A 49 50.356 36.656 27.945 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.924 36.942 26.895 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.860 35.730 28.756 1.00 0.00 N ATOM 0 H GLN A 49 46.377 35.848 29.678 1.00 0.00 H new ATOM 0 HA GLN A 49 46.698 38.232 28.079 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.874 35.473 28.152 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.980 36.392 26.663 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.975 38.316 27.955 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.925 37.341 29.410 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.381 35.499 29.626 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.726 35.251 28.508 1.00 0.00 H new ATOM 794 N LEU A 50 45.147 37.903 26.223 1.00 0.00 N ATOM 795 CA LEU A 50 44.082 37.913 25.241 1.00 0.00 C ATOM 796 C LEU A 50 44.556 37.347 23.902 1.00 0.00 C ATOM 797 O LEU A 50 45.614 37.717 23.395 1.00 0.00 O ATOM 798 CB LEU A 50 43.518 39.324 25.102 1.00 0.00 C ATOM 799 CG LEU A 50 43.142 40.032 26.401 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.615 41.425 26.068 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.076 39.283 27.198 1.00 0.00 C ATOM 0 H LEU A 50 45.633 38.798 26.284 1.00 0.00 H new ATOM 0 HA LEU A 50 43.278 37.262 25.585 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.252 39.936 24.579 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.632 39.278 24.469 1.00 0.00 H new ATOM 0 HG LEU A 50 44.040 40.079 27.018 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.343 41.941 26.989 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.388 41.992 25.549 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.737 41.338 25.428 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.850 39.834 28.111 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.171 39.189 26.597 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.445 38.290 27.456 1.00 0.00 H new ATOM 813 N GLU A 51 43.767 36.449 23.318 1.00 0.00 N ATOM 814 CA GLU A 51 44.158 35.617 22.199 1.00 0.00 C ATOM 815 C GLU A 51 43.705 36.190 20.855 1.00 0.00 C ATOM 816 O GLU A 51 42.534 36.510 20.661 1.00 0.00 O ATOM 817 CB GLU A 51 43.635 34.201 22.431 1.00 0.00 C ATOM 818 CG GLU A 51 44.382 33.496 23.559 1.00 0.00 C ATOM 819 CD GLU A 51 43.730 32.173 23.962 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.483 31.316 23.087 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.495 31.969 25.173 1.00 0.00 O ATOM 0 H GLU A 51 42.809 36.280 23.625 1.00 0.00 H new ATOM 0 HA GLU A 51 45.246 35.591 22.144 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.572 34.241 22.669 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.734 33.622 21.513 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.410 33.310 23.248 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.426 34.154 24.427 1.00 0.00 H new ATOM 828 N ASP A 52 44.642 36.290 19.916 1.00 0.00 N ATOM 829 CA ASP A 52 44.542 36.945 18.628 1.00 0.00 C ATOM 830 C ASP A 52 43.294 36.625 17.803 1.00 0.00 C ATOM 831 O ASP A 52 42.792 37.498 17.100 1.00 0.00 O ATOM 832 CB ASP A 52 45.777 36.576 17.812 1.00 0.00 C ATOM 833 CG ASP A 52 47.063 37.142 18.417 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.344 38.349 18.243 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.806 36.391 19.086 1.00 0.00 O ATOM 0 H ASP A 52 45.565 35.879 20.055 1.00 0.00 H new ATOM 0 HA ASP A 52 44.468 38.010 18.846 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.856 35.491 17.747 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.662 36.949 16.794 1.00 0.00 H new ATOM 840 N GLY A 53 42.793 35.394 17.871 1.00 0.00 N ATOM 841 CA GLY A 53 41.627 34.930 17.147 1.00 0.00 C ATOM 842 C GLY A 53 40.273 35.121 17.832 1.00 0.00 C ATOM 843 O GLY A 53 39.248 34.889 17.196 1.00 0.00 O ATOM 0 H GLY A 53 43.209 34.670 18.456 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.597 35.442 16.185 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.756 33.868 16.938 1.00 0.00 H new ATOM 847 N ARG A 54 40.240 35.531 19.097 1.00 0.00 N ATOM 848 CA ARG A 54 39.034 35.827 19.845 1.00 0.00 C ATOM 849 C ARG A 54 38.577 37.268 19.610 1.00 0.00 C ATOM 850 O ARG A 54 39.372 38.103 19.183 1.00 0.00 O ATOM 851 CB ARG A 54 39.269 35.568 21.331 1.00 0.00 C ATOM 852 CG ARG A 54 39.766 34.174 21.701 1.00 0.00 C ATOM 853 CD ARG A 54 38.842 33.036 21.275 1.00 0.00 C ATOM 854 NE ARG A 54 37.561 33.048 21.982 1.00 0.00 N ATOM 855 CZ ARG A 54 36.403 32.544 21.532 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.271 32.050 20.294 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.315 32.527 22.314 1.00 0.00 N ATOM 0 H ARG A 54 41.089 35.670 19.645 1.00 0.00 H new ATOM 0 HA ARG A 54 38.239 35.170 19.493 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.992 36.298 21.696 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.335 35.751 21.863 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.745 34.019 21.247 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.905 34.127 22.781 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.660 33.105 20.202 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.341 32.083 21.453 1.00 0.00 H new ATOM 0 HE ARG A 54 37.548 33.481 22.905 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.068 32.049 19.658 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.373 31.675 19.988 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.363 32.900 23.262 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.439 32.141 21.961 1.00 0.00 H new ATOM 871 N THR A 55 37.318 37.575 19.912 1.00 0.00 N ATOM 872 CA THR A 55 36.763 38.908 19.798 1.00 0.00 C ATOM 873 C THR A 55 36.546 39.587 21.153 1.00 0.00 C ATOM 874 O THR A 55 36.481 38.933 22.191 1.00 0.00 O ATOM 875 CB THR A 55 35.499 38.960 18.945 1.00 0.00 C ATOM 876 OG1 THR A 55 34.412 38.297 19.551 1.00 0.00 O ATOM 877 CG2 THR A 55 35.703 38.370 17.554 1.00 0.00 C ATOM 0 H THR A 55 36.647 36.885 20.249 1.00 0.00 H new ATOM 0 HA THR A 55 37.525 39.483 19.272 1.00 0.00 H new ATOM 0 HB THR A 55 35.271 40.022 18.854 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.583 37.332 19.563 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.771 38.434 16.992 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.481 38.928 17.032 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.003 37.326 17.642 1.00 0.00 H new ATOM 885 N LEU A 56 36.429 40.912 21.161 1.00 0.00 N ATOM 886 CA LEU A 56 36.288 41.695 22.372 1.00 0.00 C ATOM 887 C LEU A 56 35.047 41.323 23.185 1.00 0.00 C ATOM 888 O LEU A 56 35.118 41.261 24.410 1.00 0.00 O ATOM 889 CB LEU A 56 36.311 43.181 22.025 1.00 0.00 C ATOM 890 CG LEU A 56 37.708 43.794 21.993 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.611 43.245 20.891 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.585 45.300 21.785 1.00 0.00 C ATOM 0 H LEU A 56 36.430 41.475 20.310 1.00 0.00 H new ATOM 0 HA LEU A 56 37.136 41.464 23.017 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.842 43.323 21.051 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.706 43.722 22.752 1.00 0.00 H new ATOM 0 HG LEU A 56 38.169 43.536 22.947 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.584 43.734 20.940 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.738 42.171 21.026 1.00 0.00 H new ATOM 0 HD13 LEU A 56 38.157 43.437 19.919 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.579 45.746 21.761 1.00 0.00 H new ATOM 0 HD22 LEU A 56 37.076 45.497 20.841 1.00 0.00 H new ATOM 0 HD23 LEU A 56 37.012 45.735 22.604 1.00 0.00 H new ATOM 904 N SER A 57 33.935 41.013 22.526 1.00 0.00 N ATOM 905 CA SER A 57 32.730 40.499 23.146 1.00 0.00 C ATOM 906 C SER A 57 32.904 39.123 23.792 1.00 0.00 C ATOM 907 O SER A 57 32.294 38.896 24.834 1.00 0.00 O ATOM 908 CB SER A 57 31.576 40.447 22.148 1.00 0.00 C ATOM 909 OG SER A 57 31.952 39.819 20.944 1.00 0.00 O ATOM 0 H SER A 57 33.850 41.118 21.515 1.00 0.00 H new ATOM 0 HA SER A 57 32.500 41.202 23.947 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.737 39.911 22.591 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.232 41.460 21.938 1.00 0.00 H new ATOM 0 HG SER A 57 32.395 40.470 20.360 1.00 0.00 H new ATOM 915 N ASP A 58 33.762 38.249 23.271 1.00 0.00 N ATOM 916 CA ASP A 58 34.051 36.965 23.875 1.00 0.00 C ATOM 917 C ASP A 58 34.735 37.106 25.237 1.00 0.00 C ATOM 918 O ASP A 58 34.550 36.266 26.115 1.00 0.00 O ATOM 919 CB ASP A 58 34.909 36.095 22.960 1.00 0.00 C ATOM 920 CG ASP A 58 34.311 35.847 21.574 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.102 35.543 21.481 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.054 35.954 20.575 1.00 0.00 O ATOM 0 H ASP A 58 34.278 38.421 22.408 1.00 0.00 H new ATOM 0 HA ASP A 58 33.087 36.478 24.026 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.884 36.567 22.841 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.077 35.134 23.446 1.00 0.00 H new ATOM 927 N TYR A 59 35.477 38.189 25.448 1.00 0.00 N ATOM 928 CA TYR A 59 36.041 38.580 26.724 1.00 0.00 C ATOM 929 C TYR A 59 35.185 39.566 27.522 1.00 0.00 C ATOM 930 O TYR A 59 35.593 39.976 28.607 1.00 0.00 O ATOM 931 CB TYR A 59 37.444 39.140 26.503 1.00 0.00 C ATOM 932 CG TYR A 59 38.480 38.137 26.058 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.929 37.164 26.958 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.045 38.227 24.779 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.935 36.266 26.585 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.065 37.346 24.402 1.00 0.00 C ATOM 937 CZ TYR A 59 40.504 36.351 25.298 1.00 0.00 C ATOM 938 OH TYR A 59 41.493 35.490 24.924 1.00 0.00 O ATOM 0 H TYR A 59 35.708 38.842 24.699 1.00 0.00 H new ATOM 0 HA TYR A 59 36.077 37.679 27.337 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.387 39.933 25.757 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.783 39.600 27.431 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.497 37.106 27.946 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.694 38.976 24.085 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.274 35.512 27.280 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.516 37.429 23.424 1.00 0.00 H new ATOM 0 HH TYR A 59 41.096 34.693 24.516 1.00 0.00 H new ATOM 948 N ASN A 60 34.016 39.965 27.031 1.00 0.00 N ATOM 949 CA ASN A 60 33.157 40.968 27.629 1.00 0.00 C ATOM 950 C ASN A 60 33.852 42.308 27.879 1.00 0.00 C ATOM 951 O ASN A 60 33.606 42.970 28.884 1.00 0.00 O ATOM 952 CB ASN A 60 32.436 40.370 28.834 1.00 0.00 C ATOM 953 CG ASN A 60 31.230 41.182 29.308 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.193 41.722 30.411 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.182 41.259 28.493 1.00 0.00 N ATOM 0 H ASN A 60 33.630 39.579 26.169 1.00 0.00 H new ATOM 0 HA ASN A 60 32.389 41.246 26.907 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.105 39.362 28.582 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.144 40.277 29.658 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.346 41.767 28.783 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.214 40.810 27.578 1.00 0.00 H new ATOM 962 N ILE A 61 34.747 42.728 26.991 1.00 0.00 N ATOM 963 CA ILE A 61 35.471 43.977 27.121 1.00 0.00 C ATOM 964 C ILE A 61 34.528 45.120 26.741 1.00 0.00 C ATOM 965 O ILE A 61 34.128 45.235 25.586 1.00 0.00 O ATOM 966 CB ILE A 61 36.765 43.951 26.313 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.721 42.908 26.886 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.443 45.318 26.311 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.901 42.562 25.981 1.00 0.00 C ATOM 0 H ILE A 61 34.989 42.201 26.152 1.00 0.00 H new ATOM 0 HA ILE A 61 35.789 44.133 28.152 1.00 0.00 H new ATOM 0 HB ILE A 61 36.512 43.690 25.285 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.105 43.271 27.839 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.161 41.997 27.095 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.362 45.267 25.727 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.773 46.056 25.870 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.679 45.609 27.335 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.526 41.814 26.468 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.531 42.165 25.036 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.490 43.460 25.792 1.00 0.00 H new ATOM 981 N GLN A 62 34.146 45.932 27.722 1.00 0.00 N ATOM 982 CA GLN A 62 33.180 47.001 27.560 1.00 0.00 C ATOM 983 C GLN A 62 33.800 48.292 27.024 1.00 0.00 C ATOM 984 O GLN A 62 35.005 48.514 27.121 1.00 0.00 O ATOM 985 CB GLN A 62 32.445 47.261 28.871 1.00 0.00 C ATOM 986 CG GLN A 62 31.865 46.015 29.534 1.00 0.00 C ATOM 987 CD GLN A 62 30.655 46.330 30.416 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.510 46.250 29.977 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.823 46.743 31.669 1.00 0.00 N ATOM 0 H GLN A 62 34.511 45.859 28.672 1.00 0.00 H new ATOM 0 HA GLN A 62 32.466 46.665 26.808 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.132 47.741 29.568 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.636 47.967 28.684 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.573 45.300 28.764 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.636 45.536 30.138 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.762 46.819 32.059 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.013 46.984 32.240 1.00 0.00 H new ATOM 998 N LYS A 63 32.960 49.198 26.532 1.00 0.00 N ATOM 999 CA LYS A 63 33.285 50.581 26.241 1.00 0.00 C ATOM 1000 C LYS A 63 33.999 51.280 27.401 1.00 0.00 C ATOM 1001 O LYS A 63 33.612 51.145 28.560 1.00 0.00 O ATOM 1002 CB LYS A 63 32.006 51.304 25.827 1.00 0.00 C ATOM 1003 CG LYS A 63 30.923 51.339 26.901 1.00 0.00 C ATOM 1004 CD LYS A 63 29.550 51.620 26.296 1.00 0.00 C ATOM 1005 CE LYS A 63 28.496 51.638 27.399 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.173 52.008 26.871 1.00 0.00 N ATOM 0 H LYS A 63 31.989 48.972 26.317 1.00 0.00 H new ATOM 0 HA LYS A 63 33.999 50.609 25.418 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.256 52.327 25.548 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.602 50.821 24.937 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.902 50.386 27.430 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.162 52.107 27.637 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.561 52.577 25.774 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.304 50.857 25.557 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.441 50.655 27.868 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.791 52.345 28.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.479 52.011 27.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.222 52.956 26.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 26.882 51.319 26.148 1.00 0.00 H new ATOM 1020 N GLU A 64 35.057 52.021 27.088 1.00 0.00 N ATOM 1021 CA GLU A 64 35.937 52.706 28.015 1.00 0.00 C ATOM 1022 C GLU A 64 36.598 51.824 29.075 1.00 0.00 C ATOM 1023 O GLU A 64 36.891 52.287 30.176 1.00 0.00 O ATOM 1024 CB GLU A 64 35.289 53.962 28.592 1.00 0.00 C ATOM 1025 CG GLU A 64 34.820 54.948 27.524 1.00 0.00 C ATOM 1026 CD GLU A 64 34.532 56.323 28.130 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.907 56.404 29.208 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.934 57.335 27.515 1.00 0.00 O ATOM 0 H GLU A 64 35.336 52.165 26.118 1.00 0.00 H new ATOM 0 HA GLU A 64 36.782 53.025 27.406 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.437 53.672 29.208 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.002 54.461 29.248 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.583 55.041 26.751 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.921 54.565 27.041 1.00 0.00 H new ATOM 1035 N SER A 65 36.869 50.562 28.753 1.00 0.00 N ATOM 1036 CA SER A 65 37.738 49.706 29.534 1.00 0.00 C ATOM 1037 C SER A 65 39.223 50.007 29.313 1.00 0.00 C ATOM 1038 O SER A 65 39.593 50.617 28.313 1.00 0.00 O ATOM 1039 CB SER A 65 37.477 48.230 29.250 1.00 0.00 C ATOM 1040 OG SER A 65 36.115 47.903 29.415 1.00 0.00 O ATOM 0 H SER A 65 36.482 50.104 27.928 1.00 0.00 H new ATOM 0 HA SER A 65 37.500 49.922 30.576 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.788 47.994 28.232 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.082 47.618 29.918 1.00 0.00 H new ATOM 0 HG SER A 65 35.714 47.720 28.540 1.00 0.00 H new ATOM 1046 N THR A 66 40.067 49.546 30.230 1.00 0.00 N ATOM 1047 CA THR A 66 41.509 49.689 30.184 1.00 0.00 C ATOM 1048 C THR A 66 42.206 48.329 30.096 1.00 0.00 C ATOM 1049 O THR A 66 41.897 47.417 30.860 1.00 0.00 O ATOM 1050 CB THR A 66 42.027 50.496 31.371 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.496 51.802 31.337 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.543 50.674 31.363 1.00 0.00 C ATOM 0 H THR A 66 39.747 49.043 31.057 1.00 0.00 H new ATOM 0 HA THR A 66 41.750 50.242 29.276 1.00 0.00 H new ATOM 0 HB THR A 66 41.724 49.934 32.254 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.832 52.312 32.103 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.846 51.256 32.233 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.024 49.697 31.395 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.843 51.196 30.455 1.00 0.00 H new ATOM 1060 N LEU A 67 43.175 48.203 29.195 1.00 0.00 N ATOM 1061 CA LEU A 67 44.009 47.038 28.974 1.00 0.00 C ATOM 1062 C LEU A 67 45.485 47.386 29.179 1.00 0.00 C ATOM 1063 O LEU A 67 45.862 48.555 29.141 1.00 0.00 O ATOM 1064 CB LEU A 67 43.811 46.497 27.561 1.00 0.00 C ATOM 1065 CG LEU A 67 42.426 46.010 27.146 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.454 47.126 26.771 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.573 45.148 25.896 1.00 0.00 C ATOM 0 H LEU A 67 43.410 48.966 28.560 1.00 0.00 H new ATOM 0 HA LEU A 67 43.716 46.275 29.695 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.108 47.280 26.864 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.506 45.669 27.425 1.00 0.00 H new ATOM 0 HG LEU A 67 42.025 45.481 28.011 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.494 46.693 26.489 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.316 47.790 27.624 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.857 47.693 25.932 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.592 44.790 25.584 1.00 0.00 H new ATOM 0 HD22 LEU A 67 43.015 45.741 25.095 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.217 44.296 26.115 1.00 0.00 H new ATOM 1079 N HIS A 68 46.346 46.383 29.325 1.00 0.00 N ATOM 1080 CA HIS A 68 47.786 46.543 29.301 1.00 0.00 C ATOM 1081 C HIS A 68 48.385 45.985 28.009 1.00 0.00 C ATOM 1082 O HIS A 68 47.967 44.930 27.536 1.00 0.00 O ATOM 1083 CB HIS A 68 48.415 45.858 30.511 1.00 0.00 C ATOM 1084 CG HIS A 68 47.962 46.324 31.868 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.095 45.574 33.035 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.383 47.525 32.186 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.611 46.325 34.027 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.169 47.501 33.550 1.00 0.00 N ATOM 0 H HIS A 68 46.050 45.417 29.466 1.00 0.00 H new ATOM 0 HA HIS A 68 48.005 47.610 29.342 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.218 44.789 30.436 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.496 45.988 30.451 1.00 0.00 H new ATOM 0 HD2 HIS A 68 47.142 48.329 31.506 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.579 46.029 35.065 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.747 48.248 34.101 1.00 0.00 H new ATOM 1096 N LEU A 69 49.398 46.657 27.471 1.00 0.00 N ATOM 1097 CA LEU A 69 50.243 46.190 26.391 1.00 0.00 C ATOM 1098 C LEU A 69 51.642 45.862 26.916 1.00 0.00 C ATOM 1099 O LEU A 69 52.235 46.679 27.618 1.00 0.00 O ATOM 1100 CB LEU A 69 50.278 47.257 25.301 1.00 0.00 C ATOM 1101 CG LEU A 69 51.305 47.073 24.187 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.059 45.829 23.338 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.272 48.279 23.254 1.00 0.00 C ATOM 0 H LEU A 69 49.660 47.587 27.797 1.00 0.00 H new ATOM 0 HA LEU A 69 49.840 45.271 25.965 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.289 47.309 24.845 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.461 48.221 25.776 1.00 0.00 H new ATOM 0 HG LEU A 69 52.270 46.965 24.681 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.825 45.759 22.565 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.100 44.943 23.971 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.077 45.896 22.870 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.006 48.145 22.460 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.278 48.374 22.817 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.508 49.182 23.818 1.00 0.00 H new ATOM 1115 N VAL A 70 52.187 44.713 26.526 1.00 0.00 N ATOM 1116 CA VAL A 70 53.555 44.310 26.780 1.00 0.00 C ATOM 1117 C VAL A 70 54.196 43.815 25.482 1.00 0.00 C ATOM 1118 O VAL A 70 53.564 43.100 24.706 1.00 0.00 O ATOM 1119 CB VAL A 70 53.629 43.260 27.884 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.062 42.829 28.187 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.025 43.771 29.189 1.00 0.00 C ATOM 0 H VAL A 70 51.661 44.013 26.003 1.00 0.00 H new ATOM 0 HA VAL A 70 54.117 45.175 27.133 1.00 0.00 H new ATOM 0 HB VAL A 70 53.062 42.410 27.505 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.057 42.081 28.980 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.512 42.404 27.290 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.642 43.694 28.508 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.096 42.995 29.951 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.569 44.656 29.520 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.978 44.028 29.029 1.00 0.00 H new ATOM 1131 N LEU A 71 55.444 44.199 25.230 1.00 0.00 N ATOM 1132 CA LEU A 71 56.202 43.849 24.046 1.00 0.00 C ATOM 1133 C LEU A 71 56.927 42.511 24.198 1.00 0.00 C ATOM 1134 O LEU A 71 57.437 42.207 25.274 1.00 0.00 O ATOM 1135 CB LEU A 71 57.170 44.996 23.771 1.00 0.00 C ATOM 1136 CG LEU A 71 57.707 45.076 22.344 1.00 0.00 C ATOM 1137 CD1 LEU A 71 56.628 45.557 21.379 1.00 0.00 C ATOM 1138 CD2 LEU A 71 58.858 46.074 22.282 1.00 0.00 C ATOM 0 H LEU A 71 55.971 44.787 25.876 1.00 0.00 H new ATOM 0 HA LEU A 71 55.529 43.713 23.199 1.00 0.00 H new ATOM 0 HB2 LEU A 71 56.669 45.935 24.005 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.015 44.907 24.454 1.00 0.00 H new ATOM 0 HG LEU A 71 58.038 44.077 22.059 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.037 45.605 20.370 1.00 0.00 H new ATOM 0 HD12 LEU A 71 55.788 44.863 21.397 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.287 46.548 21.679 1.00 0.00 H new ATOM 0 HD21 LEU A 71 59.238 46.128 21.262 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.504 47.058 22.590 1.00 0.00 H new ATOM 0 HD23 LEU A 71 59.656 45.751 22.950 1.00 0.00 H new ATOM 1150 N ARG A 72 57.032 41.723 23.132 1.00 0.00 N ATOM 1151 CA ARG A 72 57.891 40.558 23.060 1.00 0.00 C ATOM 1152 C ARG A 72 59.338 40.950 22.749 1.00 0.00 C ATOM 1153 O ARG A 72 59.587 41.805 21.902 1.00 0.00 O ATOM 1154 CB ARG A 72 57.386 39.539 22.043 1.00 0.00 C ATOM 1155 CG ARG A 72 56.018 38.946 22.365 1.00 0.00 C ATOM 1156 CD ARG A 72 55.748 37.707 21.515 1.00 0.00 C ATOM 1157 NE ARG A 72 54.501 37.030 21.871 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.259 37.337 21.470 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.016 38.309 20.581 1.00 0.00 N ATOM 1160 NH2 ARG A 72 52.204 36.662 21.947 1.00 0.00 N ATOM 0 H ARG A 72 56.505 41.887 22.274 1.00 0.00 H new ATOM 0 HA ARG A 72 57.865 40.088 24.043 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.340 40.015 21.063 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.111 38.728 21.970 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.970 38.684 23.422 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.243 39.691 22.186 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.711 37.995 20.464 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.578 37.009 21.626 1.00 0.00 H new ATOM 0 HE ARG A 72 54.586 36.230 22.498 1.00 0.00 H new ATOM 0 HH11 ARG A 72 53.790 38.844 20.186 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.057 38.515 20.299 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.343 35.908 22.620 1.00 0.00 H new ATOM 0 HH22 ARG A 72 51.262 36.902 21.637 1.00 0.00 H new ATOM 1174 N LEU A 73 60.285 40.273 23.392 1.00 0.00 N ATOM 1175 CA LEU A 73 61.708 40.381 23.142 1.00 0.00 C ATOM 1176 C LEU A 73 62.335 39.013 22.863 1.00 0.00 C ATOM 1177 O LEU A 73 63.092 38.884 21.903 1.00 0.00 O ATOM 1178 CB LEU A 73 62.422 41.099 24.283 1.00 0.00 C ATOM 1179 CG LEU A 73 62.071 42.576 24.446 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.944 42.796 25.451 1.00 0.00 C ATOM 1181 CD2 LEU A 73 63.277 43.353 24.967 1.00 0.00 C ATOM 0 H LEU A 73 60.066 39.607 24.133 1.00 0.00 H new ATOM 0 HA LEU A 73 61.835 40.986 22.244 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.192 40.583 25.215 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.497 41.013 24.128 1.00 0.00 H new ATOM 0 HG LEU A 73 61.760 42.923 23.460 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.731 43.862 25.532 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.049 42.272 25.115 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.245 42.411 26.425 1.00 0.00 H new ATOM 0 HD21 LEU A 73 63.012 44.404 25.078 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.579 42.951 25.934 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.102 43.260 24.261 1.00 0.00 H new ATOM 1193 N ARG A 74 61.976 37.982 23.621 1.00 0.00 N ATOM 1194 CA ARG A 74 62.043 36.597 23.200 1.00 0.00 C ATOM 1195 C ARG A 74 60.807 36.297 22.351 1.00 0.00 C ATOM 1196 O ARG A 74 59.683 36.413 22.837 1.00 0.00 O ATOM 1197 CB ARG A 74 62.127 35.662 24.404 1.00 0.00 C ATOM 1198 CG ARG A 74 63.525 35.627 25.015 1.00 0.00 C ATOM 1199 CD ARG A 74 63.587 34.613 26.153 1.00 0.00 C ATOM 1200 NE ARG A 74 64.959 34.445 26.633 1.00 0.00 N ATOM 1201 CZ ARG A 74 65.844 33.528 26.219 1.00 0.00 C ATOM 1202 NH1 ARG A 74 65.584 32.636 25.254 1.00 0.00 N ATOM 1203 NH2 ARG A 74 67.069 33.480 26.758 1.00 0.00 N ATOM 0 H ARG A 74 61.621 38.096 24.571 1.00 0.00 H new ATOM 0 HA ARG A 74 62.944 36.431 22.609 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.410 35.982 25.160 1.00 0.00 H new ATOM 0 HB3 ARG A 74 61.841 34.655 24.100 1.00 0.00 H new ATOM 0 HG2 ARG A 74 64.256 35.368 24.249 1.00 0.00 H new ATOM 0 HG3 ARG A 74 63.790 36.617 25.387 1.00 0.00 H new ATOM 0 HD2 ARG A 74 62.949 34.942 26.973 1.00 0.00 H new ATOM 0 HD3 ARG A 74 63.198 33.654 25.812 1.00 0.00 H new ATOM 0 HE ARG A 74 65.274 35.092 27.356 1.00 0.00 H new ATOM 0 HH11 ARG A 74 64.673 32.633 24.794 1.00 0.00 H new ATOM 0 HH12 ARG A 74 66.297 31.960 24.979 1.00 0.00 H new ATOM 0 HH21 ARG A 74 67.332 34.143 27.487 1.00 0.00 H new ATOM 0 HH22 ARG A 74 67.739 32.780 26.440 1.00 0.00 H new ATOM 1217 N GLY A 75 61.003 35.968 21.077 1.00 0.00 N ATOM 1218 CA GLY A 75 59.967 36.018 20.067 1.00 0.00 C ATOM 1219 C GLY A 75 59.691 37.434 19.555 1.00 0.00 C ATOM 1220 O GLY A 75 58.565 37.714 19.150 1.00 0.00 O ATOM 0 H GLY A 75 61.905 35.654 20.718 1.00 0.00 H new ATOM 0 HA2 GLY A 75 60.256 35.385 19.228 1.00 0.00 H new ATOM 0 HA3 GLY A 75 59.047 35.602 20.478 1.00 0.00 H new ATOM 1224 N GLY A 76 60.666 38.333 19.643 1.00 0.00 N ATOM 1225 CA GLY A 76 60.595 39.702 19.172 1.00 0.00 C ATOM 1226 C GLY A 76 61.363 39.925 17.868 1.00 0.00 C ATOM 1227 O GLY A 76 60.822 39.597 16.790 1.00 0.00 O ATOM 1228 OXT GLY A 76 62.514 40.408 17.936 1.00 0.00 O ATOM 0 H GLY A 76 61.568 38.111 20.065 1.00 0.00 H new ATOM 0 HA2 GLY A 76 59.550 39.976 19.024 1.00 0.00 H new ATOM 0 HA3 GLY A 76 60.993 40.366 19.940 1.00 0.00 H new TER 1232 GLY A 76