USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 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 -81:sc= 1.26 USER MOD Set 1.2: A 57 SER OG : rot -76:sc= 1.2 USER MOD Set 2.1: A 22 THR OG1 : rot -51:sc= 1.21 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.47 K(o=2.7,f=-6!) USER MOD Set 3.1: A 7 THR OG1 : rot -179:sc= 0.0504 USER MOD Set 3.2: A 9 THR OG1 : rot -13:sc= 0.0459 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -175:sc= 2.01 (180deg=1.97) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.00494 USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 1.44 (180deg=1.1) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 1.21 (180deg=0.928) USER MOD Single : A 31 GLN : amide:sc= -0.193 K(o=-0.19,f=-0.95) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.24) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 41 GLN : amide:sc= 1.36 K(o=1.4,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0132 K(o=-0.013,f=-0.58) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.521 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.8) 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 106:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0206 X(o=-0.021,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.030 51.892 19.405 1.00 0.00 N ATOM 2 CA MET A 1 33.117 52.180 20.844 1.00 0.00 C ATOM 3 C MET A 1 34.570 52.483 21.217 1.00 0.00 C ATOM 4 O MET A 1 35.485 51.965 20.580 1.00 0.00 O ATOM 5 CB MET A 1 32.523 51.088 21.728 1.00 0.00 C ATOM 6 CG MET A 1 33.256 49.750 21.676 1.00 0.00 C ATOM 7 SD MET A 1 32.844 48.618 23.027 1.00 0.00 S ATOM 8 CE MET A 1 34.047 47.312 22.677 1.00 0.00 C ATOM 0 H1 MET A 1 32.033 51.770 19.135 1.00 0.00 H new ATOM 0 H2 MET A 1 33.440 52.682 18.867 1.00 0.00 H new ATOM 0 H3 MET A 1 33.556 51.020 19.193 1.00 0.00 H new ATOM 0 HA MET A 1 32.501 53.058 21.035 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.513 51.441 22.759 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.485 50.929 21.436 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.030 49.262 20.728 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.330 49.937 21.690 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.944 46.516 23.414 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.867 46.909 21.680 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.055 47.724 22.725 1.00 0.00 H new ATOM 20 N GLN A 2 34.785 53.290 22.252 1.00 0.00 N ATOM 21 CA GLN A 2 36.102 53.696 22.699 1.00 0.00 C ATOM 22 C GLN A 2 36.660 52.713 23.731 1.00 0.00 C ATOM 23 O GLN A 2 35.924 52.268 24.609 1.00 0.00 O ATOM 24 CB GLN A 2 36.005 55.124 23.228 1.00 0.00 C ATOM 25 CG GLN A 2 37.352 55.743 23.591 1.00 0.00 C ATOM 26 CD GLN A 2 37.219 57.255 23.785 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.942 57.760 24.870 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.318 58.033 22.711 1.00 0.00 N ATOM 0 H GLN A 2 34.029 53.685 22.811 1.00 0.00 H new ATOM 0 HA GLN A 2 36.810 53.680 21.870 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.521 55.747 22.476 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.364 55.132 24.109 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.733 55.286 24.505 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.077 55.535 22.804 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.548 57.625 21.805 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.164 59.038 22.793 1.00 0.00 H new ATOM 37 N ILE A 3 37.955 52.413 23.676 1.00 0.00 N ATOM 38 CA ILE A 3 38.713 51.716 24.694 1.00 0.00 C ATOM 39 C ILE A 3 40.061 52.408 24.910 1.00 0.00 C ATOM 40 O ILE A 3 40.434 53.297 24.149 1.00 0.00 O ATOM 41 CB ILE A 3 38.883 50.230 24.389 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.680 49.972 23.113 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.537 49.510 24.367 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.118 48.521 22.930 1.00 0.00 C ATOM 0 H ILE A 3 38.529 52.667 22.872 1.00 0.00 H new ATOM 0 HA ILE A 3 38.142 51.765 25.621 1.00 0.00 H new ATOM 0 HB ILE A 3 39.473 49.813 25.205 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.076 50.268 22.255 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.565 50.609 23.116 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.693 48.454 24.147 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.054 49.611 25.339 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.901 49.950 23.599 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.678 48.425 22.000 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.750 48.223 23.767 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.239 47.878 22.893 1.00 0.00 H new ATOM 56 N PHE A 4 40.819 51.978 25.916 1.00 0.00 N ATOM 57 CA PHE A 4 42.150 52.475 26.196 1.00 0.00 C ATOM 58 C PHE A 4 43.189 51.352 26.213 1.00 0.00 C ATOM 59 O PHE A 4 42.910 50.234 26.638 1.00 0.00 O ATOM 60 CB PHE A 4 42.142 53.239 27.518 1.00 0.00 C ATOM 61 CG PHE A 4 41.272 54.473 27.500 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.647 55.580 26.730 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.081 54.507 28.234 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.825 56.713 26.682 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.266 55.644 28.199 1.00 0.00 C ATOM 66 CZ PHE A 4 39.636 56.747 27.418 1.00 0.00 C ATOM 0 H PHE A 4 40.511 51.258 26.570 1.00 0.00 H new ATOM 0 HA PHE A 4 42.438 53.153 25.393 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.798 52.574 28.310 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.163 53.529 27.766 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.572 55.561 26.172 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.790 53.654 28.829 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.109 57.561 26.076 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.352 55.671 28.774 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.004 57.622 27.384 1.00 0.00 H new ATOM 76 N VAL A 5 44.407 51.667 25.781 1.00 0.00 N ATOM 77 CA VAL A 5 45.557 50.787 25.840 1.00 0.00 C ATOM 78 C VAL A 5 46.721 51.545 26.481 1.00 0.00 C ATOM 79 O VAL A 5 46.944 52.708 26.150 1.00 0.00 O ATOM 80 CB VAL A 5 45.942 50.260 24.461 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.027 49.193 24.563 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.767 49.651 23.702 1.00 0.00 C ATOM 0 H VAL A 5 44.622 52.574 25.367 1.00 0.00 H new ATOM 0 HA VAL A 5 45.304 49.916 26.445 1.00 0.00 H new ATOM 0 HB VAL A 5 46.302 51.131 23.914 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.281 48.836 23.565 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.914 49.619 25.033 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.663 48.360 25.165 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.107 49.295 22.730 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.359 48.816 24.272 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.994 50.406 23.562 1.00 0.00 H new ATOM 92 N LYS A 6 47.474 50.910 27.375 1.00 0.00 N ATOM 93 CA LYS A 6 48.728 51.427 27.884 1.00 0.00 C ATOM 94 C LYS A 6 49.931 50.826 27.154 1.00 0.00 C ATOM 95 O LYS A 6 50.029 49.610 27.018 1.00 0.00 O ATOM 96 CB LYS A 6 48.819 51.258 29.398 1.00 0.00 C ATOM 97 CG LYS A 6 48.108 52.411 30.102 1.00 0.00 C ATOM 98 CD LYS A 6 48.251 52.316 31.618 1.00 0.00 C ATOM 99 CE LYS A 6 47.912 53.668 32.239 1.00 0.00 C ATOM 100 NZ LYS A 6 48.072 53.642 33.701 1.00 0.00 N ATOM 0 H LYS A 6 47.219 50.005 27.770 1.00 0.00 H new ATOM 0 HA LYS A 6 48.753 52.498 27.680 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.369 50.310 29.693 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.864 51.224 29.705 1.00 0.00 H new ATOM 0 HG2 LYS A 6 48.520 53.359 29.756 1.00 0.00 H new ATOM 0 HG3 LYS A 6 47.051 52.406 29.834 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.587 51.545 32.010 1.00 0.00 H new ATOM 0 HD3 LYS A 6 49.268 52.026 31.882 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.557 54.437 31.814 1.00 0.00 H new ATOM 0 HE3 LYS A 6 46.886 53.938 31.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 47.834 54.575 34.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.438 52.924 34.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.057 53.408 33.938 1.00 0.00 H new ATOM 114 N THR A 7 50.829 51.697 26.700 1.00 0.00 N ATOM 115 CA THR A 7 52.030 51.380 25.956 1.00 0.00 C ATOM 116 C THR A 7 53.070 50.635 26.796 1.00 0.00 C ATOM 117 O THR A 7 52.893 50.423 27.993 1.00 0.00 O ATOM 118 CB THR A 7 52.648 52.662 25.406 1.00 0.00 C ATOM 119 OG1 THR A 7 53.026 53.508 26.470 1.00 0.00 O ATOM 120 CG2 THR A 7 51.722 53.425 24.464 1.00 0.00 C ATOM 0 H THR A 7 50.725 52.700 26.854 1.00 0.00 H new ATOM 0 HA THR A 7 51.735 50.717 25.143 1.00 0.00 H new ATOM 0 HB THR A 7 53.519 52.358 24.825 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.409 54.335 26.110 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.224 54.325 24.110 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.468 52.793 23.613 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.811 53.702 24.995 1.00 0.00 H new ATOM 128 N LEU A 8 54.198 50.266 26.196 1.00 0.00 N ATOM 129 CA LEU A 8 55.331 49.695 26.896 1.00 0.00 C ATOM 130 C LEU A 8 55.970 50.645 27.911 1.00 0.00 C ATOM 131 O LEU A 8 56.643 50.167 28.821 1.00 0.00 O ATOM 132 CB LEU A 8 56.357 49.199 25.882 1.00 0.00 C ATOM 133 CG LEU A 8 55.904 48.048 24.989 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.987 47.744 23.958 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.619 46.770 25.772 1.00 0.00 C ATOM 0 H LEU A 8 54.347 50.360 25.191 1.00 0.00 H new ATOM 0 HA LEU A 8 54.957 48.857 27.484 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.645 50.036 25.246 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.251 48.886 26.421 1.00 0.00 H new ATOM 0 HG LEU A 8 54.978 48.367 24.511 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.662 46.922 23.321 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.166 48.628 23.346 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.908 47.465 24.469 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.301 45.986 25.085 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.523 46.452 26.292 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.829 46.958 26.500 1.00 0.00 H new ATOM 147 N THR A 9 55.728 51.950 27.834 1.00 0.00 N ATOM 148 CA THR A 9 56.121 52.925 28.830 1.00 0.00 C ATOM 149 C THR A 9 54.993 53.298 29.794 1.00 0.00 C ATOM 150 O THR A 9 55.166 54.186 30.627 1.00 0.00 O ATOM 151 CB THR A 9 56.727 54.182 28.214 1.00 0.00 C ATOM 152 OG1 THR A 9 55.763 54.885 27.462 1.00 0.00 O ATOM 153 CG2 THR A 9 57.908 53.888 27.293 1.00 0.00 C ATOM 0 H THR A 9 55.234 52.367 27.045 1.00 0.00 H new ATOM 0 HA THR A 9 56.894 52.426 29.414 1.00 0.00 H new ATOM 0 HB THR A 9 57.080 54.777 29.056 1.00 0.00 H new ATOM 0 HG1 THR A 9 54.975 54.318 27.328 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.294 54.823 26.887 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.694 53.386 27.858 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.581 53.245 26.476 1.00 0.00 H new ATOM 161 N GLY A 10 53.840 52.640 29.715 1.00 0.00 N ATOM 162 CA GLY A 10 52.698 52.844 30.582 1.00 0.00 C ATOM 163 C GLY A 10 51.842 54.074 30.273 1.00 0.00 C ATOM 164 O GLY A 10 50.905 54.356 31.015 1.00 0.00 O ATOM 0 H GLY A 10 53.675 51.920 29.012 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.063 51.960 30.530 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.054 52.921 31.609 1.00 0.00 H new ATOM 168 N LYS A 11 52.128 54.798 29.195 1.00 0.00 N ATOM 169 CA LYS A 11 51.352 55.935 28.740 1.00 0.00 C ATOM 170 C LYS A 11 50.042 55.447 28.119 1.00 0.00 C ATOM 171 O LYS A 11 50.056 54.464 27.381 1.00 0.00 O ATOM 172 CB LYS A 11 52.199 56.710 27.735 1.00 0.00 C ATOM 173 CG LYS A 11 51.607 58.042 27.283 1.00 0.00 C ATOM 174 CD LYS A 11 52.454 58.698 26.195 1.00 0.00 C ATOM 175 CE LYS A 11 52.336 57.948 24.871 1.00 0.00 C ATOM 176 NZ LYS A 11 53.368 58.358 23.906 1.00 0.00 N ATOM 0 H LYS A 11 52.932 54.599 28.599 1.00 0.00 H new ATOM 0 HA LYS A 11 51.093 56.593 29.570 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.179 56.896 28.175 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.358 56.084 26.857 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.595 57.882 26.910 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.529 58.714 28.138 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.137 59.732 26.059 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.497 58.723 26.509 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.417 56.877 25.054 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.350 58.124 24.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 53.249 57.823 23.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.276 59.375 23.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.310 58.166 24.303 1.00 0.00 H new ATOM 190 N THR A 12 48.918 56.111 28.376 1.00 0.00 N ATOM 191 CA THR A 12 47.650 55.749 27.774 1.00 0.00 C ATOM 192 C THR A 12 47.548 56.274 26.340 1.00 0.00 C ATOM 193 O THR A 12 47.912 57.415 26.066 1.00 0.00 O ATOM 194 CB THR A 12 46.452 56.190 28.610 1.00 0.00 C ATOM 195 OG1 THR A 12 46.465 55.551 29.865 1.00 0.00 O ATOM 196 CG2 THR A 12 45.122 55.785 27.980 1.00 0.00 C ATOM 0 H THR A 12 48.867 56.912 29.006 1.00 0.00 H new ATOM 0 HA THR A 12 47.622 54.660 27.742 1.00 0.00 H new ATOM 0 HB THR A 12 46.535 57.274 28.685 1.00 0.00 H new ATOM 0 HG1 THR A 12 45.692 55.845 30.390 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.302 56.122 28.614 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.032 56.243 26.995 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.082 54.700 27.881 1.00 0.00 H new ATOM 204 N ILE A 13 47.000 55.452 25.449 1.00 0.00 N ATOM 205 CA ILE A 13 46.530 55.799 24.123 1.00 0.00 C ATOM 206 C ILE A 13 45.092 55.314 23.929 1.00 0.00 C ATOM 207 O ILE A 13 44.686 54.295 24.483 1.00 0.00 O ATOM 208 CB ILE A 13 47.469 55.290 23.033 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.769 53.797 23.143 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.742 56.131 23.041 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.588 53.222 21.990 1.00 0.00 C ATOM 0 H ILE A 13 46.866 54.462 25.654 1.00 0.00 H new ATOM 0 HA ILE A 13 46.530 56.885 24.033 1.00 0.00 H new ATOM 0 HB ILE A 13 46.965 55.403 22.073 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.303 53.616 24.076 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.826 53.255 23.206 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.419 55.774 22.265 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.490 57.174 22.851 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.228 56.046 24.013 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.751 52.157 22.155 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.049 53.366 21.054 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.550 53.732 21.937 1.00 0.00 H new ATOM 223 N THR A 14 44.305 56.045 23.145 1.00 0.00 N ATOM 224 CA THR A 14 42.916 55.742 22.867 1.00 0.00 C ATOM 225 C THR A 14 42.775 54.829 21.647 1.00 0.00 C ATOM 226 O THR A 14 43.553 54.952 20.703 1.00 0.00 O ATOM 227 CB THR A 14 42.124 57.027 22.645 1.00 0.00 C ATOM 228 OG1 THR A 14 42.418 58.003 23.619 1.00 0.00 O ATOM 229 CG2 THR A 14 40.614 56.821 22.713 1.00 0.00 C ATOM 0 H THR A 14 44.632 56.889 22.674 1.00 0.00 H new ATOM 0 HA THR A 14 42.515 55.217 23.734 1.00 0.00 H new ATOM 0 HB THR A 14 42.421 57.350 21.647 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.892 58.811 23.442 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.109 57.773 22.547 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.309 56.110 21.946 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.344 56.433 23.695 1.00 0.00 H new ATOM 237 N LEU A 15 41.784 53.942 21.626 1.00 0.00 N ATOM 238 CA LEU A 15 41.437 53.130 20.476 1.00 0.00 C ATOM 239 C LEU A 15 39.926 53.126 20.236 1.00 0.00 C ATOM 240 O LEU A 15 39.147 53.263 21.177 1.00 0.00 O ATOM 241 CB LEU A 15 41.980 51.719 20.681 1.00 0.00 C ATOM 242 CG LEU A 15 42.741 51.156 19.484 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.071 51.869 19.254 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.037 49.678 19.722 1.00 0.00 C ATOM 0 H LEU A 15 41.187 53.768 22.434 1.00 0.00 H new ATOM 0 HA LEU A 15 41.892 53.556 19.582 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.640 51.719 21.548 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.149 51.053 20.913 1.00 0.00 H new ATOM 0 HG LEU A 15 42.111 51.303 18.607 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.574 51.432 18.391 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.889 52.928 19.070 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.701 51.757 20.136 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.581 49.274 18.868 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.642 49.568 20.622 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.100 49.135 19.846 1.00 0.00 H new ATOM 256 N GLU A 16 39.504 52.904 18.995 1.00 0.00 N ATOM 257 CA GLU A 16 38.115 52.764 18.609 1.00 0.00 C ATOM 258 C GLU A 16 37.874 51.431 17.898 1.00 0.00 C ATOM 259 O GLU A 16 38.553 51.105 16.927 1.00 0.00 O ATOM 260 CB GLU A 16 37.699 53.949 17.743 1.00 0.00 C ATOM 261 CG GLU A 16 36.199 54.047 17.483 1.00 0.00 C ATOM 262 CD GLU A 16 35.429 54.838 18.542 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.873 55.948 18.911 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.316 54.413 18.921 1.00 0.00 O ATOM 0 H GLU A 16 40.146 52.815 18.208 1.00 0.00 H new ATOM 0 HA GLU A 16 37.496 52.762 19.506 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.032 54.869 18.224 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.217 53.883 16.786 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.040 54.513 16.511 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.785 53.040 17.425 1.00 0.00 H new ATOM 271 N VAL A 17 36.931 50.643 18.404 1.00 0.00 N ATOM 272 CA VAL A 17 36.705 49.253 18.062 1.00 0.00 C ATOM 273 C VAL A 17 35.218 48.893 18.085 1.00 0.00 C ATOM 274 O VAL A 17 34.426 49.583 18.724 1.00 0.00 O ATOM 275 CB VAL A 17 37.466 48.340 19.018 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.982 48.468 18.885 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.078 48.577 20.474 1.00 0.00 C ATOM 0 H VAL A 17 36.269 50.981 19.103 1.00 0.00 H new ATOM 0 HA VAL A 17 37.072 49.108 17.046 1.00 0.00 H new ATOM 0 HB VAL A 17 37.177 47.330 18.728 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.467 47.794 19.591 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.281 48.207 17.870 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.281 49.494 19.099 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.646 47.904 21.116 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.298 49.609 20.746 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.012 48.387 20.602 1.00 0.00 H new ATOM 287 N GLU A 18 34.826 47.795 17.446 1.00 0.00 N ATOM 288 CA GLU A 18 33.495 47.225 17.495 1.00 0.00 C ATOM 289 C GLU A 18 33.495 45.944 18.333 1.00 0.00 C ATOM 290 O GLU A 18 34.451 45.179 18.219 1.00 0.00 O ATOM 291 CB GLU A 18 33.030 46.960 16.066 1.00 0.00 C ATOM 292 CG GLU A 18 31.551 46.621 15.903 1.00 0.00 C ATOM 293 CD GLU A 18 30.594 47.755 16.277 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.971 48.944 16.197 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.444 47.472 16.677 1.00 0.00 O ATOM 0 H GLU A 18 35.461 47.258 16.855 1.00 0.00 H new ATOM 0 HA GLU A 18 32.803 47.920 17.971 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.251 47.841 15.463 1.00 0.00 H new ATOM 0 HB3 GLU A 18 33.619 46.139 15.658 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.369 46.336 14.867 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.321 45.751 16.518 1.00 0.00 H new ATOM 302 N PRO A 19 32.481 45.621 19.130 1.00 0.00 N ATOM 303 CA PRO A 19 32.457 44.413 19.930 1.00 0.00 C ATOM 304 C PRO A 19 32.628 43.091 19.179 1.00 0.00 C ATOM 305 O PRO A 19 32.965 42.079 19.787 1.00 0.00 O ATOM 306 CB PRO A 19 31.122 44.430 20.669 1.00 0.00 C ATOM 307 CG PRO A 19 30.824 45.920 20.808 1.00 0.00 C ATOM 308 CD PRO A 19 31.366 46.472 19.493 1.00 0.00 C ATOM 0 HA PRO A 19 33.330 44.436 20.583 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.343 43.914 20.107 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.192 43.940 21.640 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.758 46.114 20.924 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.324 46.358 21.672 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.598 46.460 18.719 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.687 47.507 19.608 1.00 0.00 H new ATOM 316 N SER A 20 32.405 43.082 17.867 1.00 0.00 N ATOM 317 CA SER A 20 32.597 41.947 16.987 1.00 0.00 C ATOM 318 C SER A 20 34.014 41.796 16.432 1.00 0.00 C ATOM 319 O SER A 20 34.292 40.795 15.774 1.00 0.00 O ATOM 320 CB SER A 20 31.595 42.049 15.841 1.00 0.00 C ATOM 321 OG SER A 20 31.770 43.251 15.123 1.00 0.00 O ATOM 0 H SER A 20 32.070 43.908 17.372 1.00 0.00 H new ATOM 0 HA SER A 20 32.434 41.053 17.590 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.717 41.199 15.170 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.580 42.001 16.235 1.00 0.00 H new ATOM 0 HG SER A 20 31.118 43.294 14.392 1.00 0.00 H new ATOM 327 N ASP A 21 34.903 42.759 16.658 1.00 0.00 N ATOM 328 CA ASP A 21 36.265 42.748 16.162 1.00 0.00 C ATOM 329 C ASP A 21 37.151 41.737 16.892 1.00 0.00 C ATOM 330 O ASP A 21 37.050 41.550 18.102 1.00 0.00 O ATOM 331 CB ASP A 21 36.886 44.141 16.234 1.00 0.00 C ATOM 332 CG ASP A 21 36.356 45.133 15.196 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.996 44.709 14.077 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.406 46.356 15.453 1.00 0.00 O ATOM 0 H ASP A 21 34.684 43.590 17.208 1.00 0.00 H new ATOM 0 HA ASP A 21 36.209 42.436 15.119 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.712 44.550 17.229 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.965 44.049 16.111 1.00 0.00 H new ATOM 339 N THR A 22 38.064 41.112 16.152 1.00 0.00 N ATOM 340 CA THR A 22 39.069 40.209 16.675 1.00 0.00 C ATOM 341 C THR A 22 40.173 40.965 17.417 1.00 0.00 C ATOM 342 O THR A 22 40.429 42.130 17.123 1.00 0.00 O ATOM 343 CB THR A 22 39.681 39.315 15.601 1.00 0.00 C ATOM 344 OG1 THR A 22 40.486 40.038 14.697 1.00 0.00 O ATOM 345 CG2 THR A 22 38.641 38.550 14.789 1.00 0.00 C ATOM 0 H THR A 22 38.121 41.228 15.140 1.00 0.00 H new ATOM 0 HA THR A 22 38.547 39.563 17.381 1.00 0.00 H new ATOM 0 HB THR A 22 40.290 38.604 16.160 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.983 40.806 14.353 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.143 37.934 14.043 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.058 37.913 15.453 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.978 39.256 14.289 1.00 0.00 H new ATOM 353 N ILE A 23 40.899 40.310 18.318 1.00 0.00 N ATOM 354 CA ILE A 23 42.008 40.951 18.996 1.00 0.00 C ATOM 355 C ILE A 23 43.154 41.284 18.038 1.00 0.00 C ATOM 356 O ILE A 23 43.903 42.229 18.272 1.00 0.00 O ATOM 357 CB ILE A 23 42.449 40.170 20.230 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.312 39.718 21.142 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.432 40.988 21.065 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.319 40.785 21.591 1.00 0.00 C ATOM 0 H ILE A 23 40.736 39.341 18.591 1.00 0.00 H new ATOM 0 HA ILE A 23 41.652 41.912 19.368 1.00 0.00 H new ATOM 0 HB ILE A 23 42.916 39.271 19.829 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.757 38.933 20.628 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.751 39.267 22.032 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.733 40.412 21.940 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.311 41.223 20.465 1.00 0.00 H new ATOM 0 HG23 ILE A 23 42.954 41.913 21.387 1.00 0.00 H new ATOM 0 HD11 ILE A 23 39.564 40.332 22.233 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.846 41.563 22.144 1.00 0.00 H new ATOM 0 HD13 ILE A 23 39.837 41.224 20.718 1.00 0.00 H new ATOM 372 N GLU A 24 43.246 40.629 16.883 1.00 0.00 N ATOM 373 CA GLU A 24 44.158 41.021 15.829 1.00 0.00 C ATOM 374 C GLU A 24 43.845 42.409 15.264 1.00 0.00 C ATOM 375 O GLU A 24 44.765 43.179 14.997 1.00 0.00 O ATOM 376 CB GLU A 24 44.167 39.991 14.703 1.00 0.00 C ATOM 377 CG GLU A 24 44.457 38.568 15.172 1.00 0.00 C ATOM 378 CD GLU A 24 44.577 37.613 13.983 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.548 37.057 13.542 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.710 37.407 13.495 1.00 0.00 O ATOM 0 H GLU A 24 42.684 39.808 16.658 1.00 0.00 H new ATOM 0 HA GLU A 24 45.148 41.068 16.282 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.200 40.008 14.200 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.915 40.280 13.965 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.381 38.553 15.750 1.00 0.00 H new ATOM 0 HG3 GLU A 24 43.661 38.230 15.835 1.00 0.00 H new ATOM 387 N ASN A 25 42.570 42.780 15.179 1.00 0.00 N ATOM 388 CA ASN A 25 42.166 44.119 14.799 1.00 0.00 C ATOM 389 C ASN A 25 42.634 45.166 15.812 1.00 0.00 C ATOM 390 O ASN A 25 43.036 46.261 15.426 1.00 0.00 O ATOM 391 CB ASN A 25 40.654 44.198 14.610 1.00 0.00 C ATOM 392 CG ASN A 25 40.088 43.209 13.590 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.279 42.334 13.890 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.466 43.326 12.321 1.00 0.00 N ATOM 0 H ASN A 25 41.789 42.153 15.374 1.00 0.00 H new ATOM 0 HA ASN A 25 42.649 44.342 13.848 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.171 44.024 15.572 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.392 45.210 14.300 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.085 42.695 11.615 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.137 44.046 12.053 1.00 0.00 H new ATOM 401 N VAL A 26 42.664 44.820 17.096 1.00 0.00 N ATOM 402 CA VAL A 26 43.183 45.667 18.151 1.00 0.00 C ATOM 403 C VAL A 26 44.690 45.859 17.973 1.00 0.00 C ATOM 404 O VAL A 26 45.159 46.994 17.969 1.00 0.00 O ATOM 405 CB VAL A 26 42.849 45.121 19.537 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.271 46.068 20.657 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.355 44.859 19.710 1.00 0.00 C ATOM 0 H VAL A 26 42.319 43.921 17.433 1.00 0.00 H new ATOM 0 HA VAL A 26 42.697 46.640 18.075 1.00 0.00 H new ATOM 0 HB VAL A 26 43.408 44.188 19.607 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.010 45.631 21.621 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.348 46.229 20.611 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.757 47.022 20.540 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.167 44.472 20.711 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.804 45.789 19.571 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.026 44.129 18.971 1.00 0.00 H new ATOM 417 N LYS A 27 45.444 44.787 17.744 1.00 0.00 N ATOM 418 CA LYS A 27 46.874 44.840 17.520 1.00 0.00 C ATOM 419 C LYS A 27 47.248 45.639 16.269 1.00 0.00 C ATOM 420 O LYS A 27 48.178 46.441 16.321 1.00 0.00 O ATOM 421 CB LYS A 27 47.467 43.434 17.484 1.00 0.00 C ATOM 422 CG LYS A 27 47.412 42.738 18.840 1.00 0.00 C ATOM 423 CD LYS A 27 48.005 41.333 18.794 1.00 0.00 C ATOM 424 CE LYS A 27 47.938 40.705 20.183 1.00 0.00 C ATOM 425 NZ LYS A 27 48.478 39.336 20.182 1.00 0.00 N ATOM 0 H LYS A 27 45.064 43.841 17.710 1.00 0.00 H new ATOM 0 HA LYS A 27 47.310 45.376 18.363 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.927 42.835 16.750 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.503 43.489 17.150 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.953 43.335 19.574 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.376 42.682 19.176 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.457 40.719 18.079 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.039 41.375 18.452 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.499 41.318 20.888 1.00 0.00 H new ATOM 0 HE3 LYS A 27 46.904 40.689 20.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.193 38.850 21.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.107 38.817 19.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.516 39.372 20.129 1.00 0.00 H new ATOM 439 N ALA A 28 46.493 45.498 15.184 1.00 0.00 N ATOM 440 CA ALA A 28 46.672 46.283 13.978 1.00 0.00 C ATOM 441 C ALA A 28 46.349 47.764 14.179 1.00 0.00 C ATOM 442 O ALA A 28 47.046 48.623 13.642 1.00 0.00 O ATOM 443 CB ALA A 28 45.815 45.667 12.875 1.00 0.00 C ATOM 0 H ALA A 28 45.730 44.824 15.122 1.00 0.00 H new ATOM 0 HA ALA A 28 47.724 46.255 13.695 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.934 46.243 11.957 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.130 44.638 12.702 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.768 45.680 13.178 1.00 0.00 H new ATOM 449 N LYS A 29 45.349 48.109 14.986 1.00 0.00 N ATOM 450 CA LYS A 29 45.041 49.481 15.335 1.00 0.00 C ATOM 451 C LYS A 29 46.067 50.112 16.278 1.00 0.00 C ATOM 452 O LYS A 29 46.287 51.317 16.182 1.00 0.00 O ATOM 453 CB LYS A 29 43.612 49.571 15.863 1.00 0.00 C ATOM 454 CG LYS A 29 42.619 49.657 14.708 1.00 0.00 C ATOM 455 CD LYS A 29 41.169 49.723 15.177 1.00 0.00 C ATOM 456 CE LYS A 29 40.287 50.102 13.991 1.00 0.00 C ATOM 457 NZ LYS A 29 38.857 50.098 14.330 1.00 0.00 N ATOM 0 H LYS A 29 44.724 47.429 15.419 1.00 0.00 H new ATOM 0 HA LYS A 29 45.108 50.080 14.427 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.390 48.698 16.477 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.510 50.447 16.504 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.842 50.539 14.108 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.747 48.790 14.060 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.860 48.761 15.585 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.063 50.457 15.976 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.570 51.092 13.634 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.465 49.405 13.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.327 50.626 13.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.511 49.118 14.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.719 50.547 15.258 1.00 0.00 H new ATOM 471 N ILE A 30 46.731 49.334 17.128 1.00 0.00 N ATOM 472 CA ILE A 30 47.869 49.765 17.916 1.00 0.00 C ATOM 473 C ILE A 30 49.089 50.016 17.029 1.00 0.00 C ATOM 474 O ILE A 30 49.748 51.043 17.182 1.00 0.00 O ATOM 475 CB ILE A 30 48.155 48.766 19.034 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.036 48.767 20.071 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.492 49.037 19.720 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.022 47.520 20.951 1.00 0.00 C ATOM 0 H ILE A 30 46.480 48.358 17.288 1.00 0.00 H new ATOM 0 HA ILE A 30 47.627 50.717 18.389 1.00 0.00 H new ATOM 0 HB ILE A 30 48.208 47.783 18.566 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.139 49.648 20.704 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.077 48.852 19.560 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.652 48.301 20.508 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.297 48.966 18.989 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.482 50.037 20.154 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.201 47.588 21.665 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.888 46.636 20.327 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.966 47.444 21.490 1.00 0.00 H new ATOM 490 N GLN A 31 49.385 49.140 16.073 1.00 0.00 N ATOM 491 CA GLN A 31 50.508 49.270 15.168 1.00 0.00 C ATOM 492 C GLN A 31 50.503 50.601 14.415 1.00 0.00 C ATOM 493 O GLN A 31 51.543 51.247 14.299 1.00 0.00 O ATOM 494 CB GLN A 31 50.507 48.085 14.204 1.00 0.00 C ATOM 495 CG GLN A 31 51.752 48.017 13.324 1.00 0.00 C ATOM 496 CD GLN A 31 51.752 46.806 12.390 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.736 46.150 12.168 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.886 46.452 11.793 1.00 0.00 N ATOM 0 H GLN A 31 48.831 48.300 15.907 1.00 0.00 H new ATOM 0 HA GLN A 31 51.426 49.264 15.755 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.425 47.161 14.776 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.624 48.145 13.567 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.822 48.928 12.730 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.638 47.981 13.958 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.740 46.983 11.964 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.902 45.649 11.164 1.00 0.00 H new ATOM 507 N ASP A 32 49.341 51.081 13.984 1.00 0.00 N ATOM 508 CA ASP A 32 49.188 52.342 13.285 1.00 0.00 C ATOM 509 C ASP A 32 49.494 53.592 14.113 1.00 0.00 C ATOM 510 O ASP A 32 49.625 54.673 13.545 1.00 0.00 O ATOM 511 CB ASP A 32 47.786 52.370 12.683 1.00 0.00 C ATOM 512 CG ASP A 32 47.569 53.561 11.747 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.296 53.684 10.737 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.680 54.389 12.040 1.00 0.00 O ATOM 0 H ASP A 32 48.459 50.587 14.117 1.00 0.00 H new ATOM 0 HA ASP A 32 49.948 52.385 12.505 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.612 51.445 12.133 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.051 52.406 13.487 1.00 0.00 H new ATOM 519 N LYS A 33 49.664 53.481 15.428 1.00 0.00 N ATOM 520 CA LYS A 33 50.032 54.582 16.296 1.00 0.00 C ATOM 521 C LYS A 33 51.243 54.366 17.204 1.00 0.00 C ATOM 522 O LYS A 33 51.789 55.348 17.702 1.00 0.00 O ATOM 523 CB LYS A 33 48.800 55.099 17.033 1.00 0.00 C ATOM 524 CG LYS A 33 48.081 54.079 17.913 1.00 0.00 C ATOM 525 CD LYS A 33 46.913 54.705 18.670 1.00 0.00 C ATOM 526 CE LYS A 33 45.815 55.229 17.749 1.00 0.00 C ATOM 527 NZ LYS A 33 44.816 56.009 18.496 1.00 0.00 N ATOM 0 H LYS A 33 49.545 52.599 15.926 1.00 0.00 H new ATOM 0 HA LYS A 33 50.406 55.362 15.633 1.00 0.00 H new ATOM 0 HB2 LYS A 33 49.098 55.943 17.655 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.092 55.480 16.297 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.715 53.259 17.294 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.787 53.651 18.624 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.488 53.964 19.347 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.284 55.524 19.286 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.257 55.851 16.971 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.327 54.392 17.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.057 56.308 17.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.415 55.423 19.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.270 56.848 18.910 1.00 0.00 H new ATOM 541 N GLU A 34 51.712 53.134 17.380 1.00 0.00 N ATOM 542 CA GLU A 34 52.897 52.789 18.140 1.00 0.00 C ATOM 543 C GLU A 34 53.996 52.083 17.342 1.00 0.00 C ATOM 544 O GLU A 34 55.107 51.960 17.854 1.00 0.00 O ATOM 545 CB GLU A 34 52.499 51.976 19.369 1.00 0.00 C ATOM 546 CG GLU A 34 52.114 52.857 20.555 1.00 0.00 C ATOM 547 CD GLU A 34 53.339 53.535 21.173 1.00 0.00 C ATOM 548 OE1 GLU A 34 54.189 52.824 21.750 1.00 0.00 O ATOM 549 OE2 GLU A 34 53.485 54.771 21.059 1.00 0.00 O ATOM 0 H GLU A 34 51.252 52.317 16.977 1.00 0.00 H new ATOM 0 HA GLU A 34 53.348 53.735 18.441 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.660 51.327 19.115 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.327 51.328 19.656 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.403 53.616 20.230 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.612 52.253 21.310 1.00 0.00 H new ATOM 556 N GLY A 35 53.739 51.624 16.121 1.00 0.00 N ATOM 557 CA GLY A 35 54.733 51.076 15.220 1.00 0.00 C ATOM 558 C GLY A 35 55.244 49.666 15.524 1.00 0.00 C ATOM 559 O GLY A 35 56.137 49.183 14.832 1.00 0.00 O ATOM 0 H GLY A 35 52.800 51.626 15.723 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.314 51.075 14.214 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.589 51.751 15.208 1.00 0.00 H new ATOM 563 N ILE A 36 54.683 48.986 16.520 1.00 0.00 N ATOM 564 CA ILE A 36 55.096 47.673 16.969 1.00 0.00 C ATOM 565 C ILE A 36 54.327 46.603 16.192 1.00 0.00 C ATOM 566 O ILE A 36 53.099 46.639 16.214 1.00 0.00 O ATOM 567 CB ILE A 36 54.890 47.556 18.476 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.735 48.569 19.243 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.217 46.150 18.973 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.297 48.764 20.692 1.00 0.00 C ATOM 0 H ILE A 36 53.896 49.356 17.054 1.00 0.00 H new ATOM 0 HA ILE A 36 56.158 47.523 16.774 1.00 0.00 H new ATOM 0 HB ILE A 36 53.837 47.766 18.662 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.776 48.246 19.228 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.692 49.529 18.728 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.060 46.099 20.050 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.567 45.429 18.477 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.257 45.917 18.746 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.944 49.498 21.172 1.00 0.00 H new ATOM 0 HD12 ILE A 36 54.266 49.118 20.716 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.367 47.815 21.224 1.00 0.00 H new ATOM 582 N PRO A 37 54.972 45.651 15.523 1.00 0.00 N ATOM 583 CA PRO A 37 54.287 44.649 14.733 1.00 0.00 C ATOM 584 C PRO A 37 53.529 43.643 15.602 1.00 0.00 C ATOM 585 O PRO A 37 53.962 43.379 16.722 1.00 0.00 O ATOM 586 CB PRO A 37 55.366 43.985 13.882 1.00 0.00 C ATOM 587 CG PRO A 37 56.604 44.100 14.769 1.00 0.00 C ATOM 588 CD PRO A 37 56.405 45.453 15.447 1.00 0.00 C ATOM 0 HA PRO A 37 53.517 45.100 14.108 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.123 42.947 13.657 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.501 44.495 12.928 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.660 43.288 15.494 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.524 44.071 14.186 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.854 45.462 16.440 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.880 46.250 14.875 1.00 0.00 H new ATOM 596 N PRO A 38 52.429 43.056 15.143 1.00 0.00 N ATOM 597 CA PRO A 38 51.556 42.248 15.971 1.00 0.00 C ATOM 598 C PRO A 38 52.220 41.088 16.715 1.00 0.00 C ATOM 599 O PRO A 38 51.847 40.837 17.859 1.00 0.00 O ATOM 600 CB PRO A 38 50.443 41.751 15.052 1.00 0.00 C ATOM 601 CG PRO A 38 50.328 42.877 14.029 1.00 0.00 C ATOM 602 CD PRO A 38 51.785 43.305 13.868 1.00 0.00 C ATOM 0 HA PRO A 38 51.191 42.873 16.786 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.699 40.801 14.582 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.509 41.598 15.593 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.897 42.533 13.089 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.700 43.692 14.388 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.270 42.740 13.071 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.852 44.359 13.598 1.00 0.00 H new ATOM 610 N ASP A 39 53.218 40.414 16.152 1.00 0.00 N ATOM 611 CA ASP A 39 53.915 39.328 16.812 1.00 0.00 C ATOM 612 C ASP A 39 54.676 39.745 18.072 1.00 0.00 C ATOM 613 O ASP A 39 54.846 38.935 18.981 1.00 0.00 O ATOM 614 CB ASP A 39 54.837 38.608 15.832 1.00 0.00 C ATOM 615 CG ASP A 39 56.085 39.413 15.464 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.006 40.249 14.540 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.149 39.187 16.083 1.00 0.00 O ATOM 0 H ASP A 39 53.565 40.613 15.214 1.00 0.00 H new ATOM 0 HA ASP A 39 53.140 38.642 17.154 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.143 37.656 16.266 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.281 38.380 14.923 1.00 0.00 H new ATOM 622 N GLN A 40 55.076 41.011 18.162 1.00 0.00 N ATOM 623 CA GLN A 40 55.700 41.576 19.341 1.00 0.00 C ATOM 624 C GLN A 40 54.686 42.023 20.396 1.00 0.00 C ATOM 625 O GLN A 40 55.062 42.211 21.551 1.00 0.00 O ATOM 626 CB GLN A 40 56.600 42.745 18.950 1.00 0.00 C ATOM 627 CG GLN A 40 57.816 42.324 18.131 1.00 0.00 C ATOM 628 CD GLN A 40 58.731 43.490 17.752 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.832 44.516 18.421 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.467 43.366 16.651 1.00 0.00 N ATOM 0 H GLN A 40 54.971 41.680 17.399 1.00 0.00 H new ATOM 0 HA GLN A 40 56.297 40.784 19.792 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.018 43.467 18.378 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.938 43.253 19.854 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.390 41.592 18.698 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.477 41.828 17.221 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.397 42.522 16.083 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.102 44.115 16.375 1.00 0.00 H new ATOM 639 N GLN A 41 53.411 42.168 20.048 1.00 0.00 N ATOM 640 CA GLN A 41 52.382 42.639 20.953 1.00 0.00 C ATOM 641 C GLN A 41 51.697 41.481 21.682 1.00 0.00 C ATOM 642 O GLN A 41 51.055 40.656 21.035 1.00 0.00 O ATOM 643 CB GLN A 41 51.318 43.444 20.213 1.00 0.00 C ATOM 644 CG GLN A 41 51.794 44.672 19.444 1.00 0.00 C ATOM 645 CD GLN A 41 50.610 45.427 18.835 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.529 45.507 19.415 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.730 45.985 17.635 1.00 0.00 N ATOM 0 H GLN A 41 53.064 41.957 19.113 1.00 0.00 H new ATOM 0 HA GLN A 41 52.882 43.277 21.682 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.815 42.778 19.512 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.571 43.766 20.938 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.347 45.332 20.112 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.482 44.368 18.655 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.617 45.932 17.134 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.935 46.467 17.215 1.00 0.00 H new ATOM 656 N ARG A 42 51.719 41.477 23.011 1.00 0.00 N ATOM 657 CA ARG A 42 50.778 40.724 23.817 1.00 0.00 C ATOM 658 C ARG A 42 49.975 41.676 24.706 1.00 0.00 C ATOM 659 O ARG A 42 50.516 42.662 25.204 1.00 0.00 O ATOM 660 CB ARG A 42 51.447 39.590 24.588 1.00 0.00 C ATOM 661 CG ARG A 42 52.164 38.629 23.644 1.00 0.00 C ATOM 662 CD ARG A 42 52.545 37.290 24.270 1.00 0.00 C ATOM 663 NE ARG A 42 53.464 37.423 25.401 1.00 0.00 N ATOM 664 CZ ARG A 42 53.964 36.416 26.129 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.676 35.126 25.906 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.808 36.676 27.136 1.00 0.00 N ATOM 0 H ARG A 42 52.399 42.003 23.559 1.00 0.00 H new ATOM 0 HA ARG A 42 50.073 40.225 23.152 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.160 40.003 25.301 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.698 39.047 25.164 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.524 38.443 22.781 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.068 39.112 23.273 1.00 0.00 H new ATOM 0 HD2 ARG A 42 51.640 36.782 24.603 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.004 36.658 23.510 1.00 0.00 H new ATOM 0 HE ARG A 42 53.750 38.368 25.658 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.045 34.868 25.147 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.088 34.402 26.495 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.069 37.639 27.347 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.190 35.911 27.692 1.00 0.00 H new ATOM 680 N LEU A 43 48.678 41.418 24.847 1.00 0.00 N ATOM 681 CA LEU A 43 47.719 42.321 25.451 1.00 0.00 C ATOM 682 C LEU A 43 47.101 41.700 26.704 1.00 0.00 C ATOM 683 O LEU A 43 46.479 40.642 26.637 1.00 0.00 O ATOM 684 CB LEU A 43 46.655 42.719 24.432 1.00 0.00 C ATOM 685 CG LEU A 43 47.166 43.437 23.185 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.002 43.720 22.240 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.839 44.770 23.502 1.00 0.00 C ATOM 0 H LEU A 43 48.258 40.544 24.532 1.00 0.00 H new ATOM 0 HA LEU A 43 48.238 43.227 25.764 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.124 41.820 24.119 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.928 43.363 24.927 1.00 0.00 H new ATOM 0 HG LEU A 43 47.904 42.776 22.730 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.371 44.232 21.352 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.533 42.780 21.948 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.269 44.350 22.744 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.182 45.234 22.577 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.125 45.429 23.996 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.691 44.600 24.160 1.00 0.00 H new ATOM 699 N ILE A 44 47.266 42.374 27.839 1.00 0.00 N ATOM 700 CA ILE A 44 46.811 41.935 29.143 1.00 0.00 C ATOM 701 C ILE A 44 45.604 42.762 29.593 1.00 0.00 C ATOM 702 O ILE A 44 45.601 43.985 29.481 1.00 0.00 O ATOM 703 CB ILE A 44 47.939 41.967 30.170 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.281 41.425 29.687 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.518 41.231 31.439 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.296 39.975 29.210 1.00 0.00 C ATOM 0 H ILE A 44 47.740 43.277 27.870 1.00 0.00 H new ATOM 0 HA ILE A 44 46.493 40.896 29.062 1.00 0.00 H new ATOM 0 HB ILE A 44 48.106 43.026 30.365 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.631 42.057 28.870 1.00 0.00 H new ATOM 0 HG13 ILE A 44 50.002 41.525 30.499 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.332 41.261 32.164 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.636 41.712 31.863 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.285 40.194 31.198 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.304 39.707 28.893 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.986 39.321 30.025 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.609 39.861 28.371 1.00 0.00 H new ATOM 718 N PHE A 45 44.581 42.090 30.114 1.00 0.00 N ATOM 719 CA PHE A 45 43.358 42.669 30.632 1.00 0.00 C ATOM 720 C PHE A 45 42.873 41.894 31.859 1.00 0.00 C ATOM 721 O PHE A 45 42.753 40.671 31.807 1.00 0.00 O ATOM 722 CB PHE A 45 42.311 42.646 29.523 1.00 0.00 C ATOM 723 CG PHE A 45 40.908 42.995 29.962 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.592 44.304 30.346 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.929 41.997 30.027 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.301 44.612 30.792 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.634 42.304 30.463 1.00 0.00 C ATOM 728 CZ PHE A 45 38.322 43.612 30.848 1.00 0.00 C ATOM 0 H PHE A 45 44.590 41.073 30.187 1.00 0.00 H new ATOM 0 HA PHE A 45 43.536 43.697 30.948 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.615 43.343 28.742 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.299 41.652 29.076 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.345 45.077 30.298 1.00 0.00 H new ATOM 0 HD2 PHE A 45 40.173 40.985 29.740 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.060 45.621 31.093 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.879 41.533 30.502 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.325 43.851 31.189 1.00 0.00 H new ATOM 738 N ALA A 46 42.596 42.587 32.960 1.00 0.00 N ATOM 739 CA ALA A 46 41.995 42.054 34.166 1.00 0.00 C ATOM 740 C ALA A 46 42.577 40.731 34.668 1.00 0.00 C ATOM 741 O ALA A 46 41.849 39.838 35.096 1.00 0.00 O ATOM 742 CB ALA A 46 40.479 42.050 33.989 1.00 0.00 C ATOM 0 H ALA A 46 42.797 43.584 33.033 1.00 0.00 H new ATOM 0 HA ALA A 46 42.258 42.717 34.990 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.009 41.652 34.888 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.130 43.068 33.818 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.214 41.427 33.135 1.00 0.00 H new ATOM 748 N GLY A 47 43.897 40.579 34.628 1.00 0.00 N ATOM 749 CA GLY A 47 44.596 39.380 35.045 1.00 0.00 C ATOM 750 C GLY A 47 44.681 38.257 34.011 1.00 0.00 C ATOM 751 O GLY A 47 45.055 37.145 34.378 1.00 0.00 O ATOM 0 H GLY A 47 44.523 41.311 34.294 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.610 39.657 35.335 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.105 38.989 35.936 1.00 0.00 H new ATOM 755 N LYS A 48 44.356 38.508 32.746 1.00 0.00 N ATOM 756 CA LYS A 48 44.337 37.549 31.659 1.00 0.00 C ATOM 757 C LYS A 48 45.138 38.054 30.459 1.00 0.00 C ATOM 758 O LYS A 48 45.051 39.234 30.125 1.00 0.00 O ATOM 759 CB LYS A 48 42.896 37.307 31.216 1.00 0.00 C ATOM 760 CG LYS A 48 42.006 36.717 32.305 1.00 0.00 C ATOM 761 CD LYS A 48 40.555 36.732 31.832 1.00 0.00 C ATOM 762 CE LYS A 48 39.654 36.096 32.887 1.00 0.00 C ATOM 763 NZ LYS A 48 38.245 36.219 32.484 1.00 0.00 N ATOM 0 H LYS A 48 44.084 39.442 32.440 1.00 0.00 H new ATOM 0 HA LYS A 48 44.788 36.625 32.020 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.466 38.251 30.881 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.898 36.635 30.358 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.316 35.697 32.532 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.107 37.293 33.225 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.237 37.757 31.641 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.465 36.190 30.891 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.914 35.045 33.014 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.809 36.582 33.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.638 35.784 33.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.999 37.225 32.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.101 35.736 31.574 1.00 0.00 H new ATOM 777 N GLN A 49 45.832 37.168 29.749 1.00 0.00 N ATOM 778 CA GLN A 49 46.370 37.458 28.436 1.00 0.00 C ATOM 779 C GLN A 49 45.320 37.183 27.357 1.00 0.00 C ATOM 780 O GLN A 49 44.876 36.050 27.193 1.00 0.00 O ATOM 781 CB GLN A 49 47.658 36.675 28.196 1.00 0.00 C ATOM 782 CG GLN A 49 48.296 37.060 26.865 1.00 0.00 C ATOM 783 CD GLN A 49 49.574 36.270 26.577 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.677 36.675 26.938 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.477 35.116 25.924 1.00 0.00 N ATOM 0 H GLN A 49 46.035 36.224 30.077 1.00 0.00 H new ATOM 0 HA GLN A 49 46.623 38.517 28.383 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.360 36.866 29.008 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.444 35.606 28.204 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.580 36.892 26.061 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.525 38.126 26.870 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.564 34.776 25.622 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.316 34.571 25.725 1.00 0.00 H new ATOM 794 N LEU A 50 44.956 38.206 26.590 1.00 0.00 N ATOM 795 CA LEU A 50 43.995 38.111 25.509 1.00 0.00 C ATOM 796 C LEU A 50 44.569 37.303 24.343 1.00 0.00 C ATOM 797 O LEU A 50 45.661 37.592 23.859 1.00 0.00 O ATOM 798 CB LEU A 50 43.578 39.507 25.056 1.00 0.00 C ATOM 799 CG LEU A 50 42.943 40.396 26.122 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.637 41.767 25.526 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.646 39.814 26.677 1.00 0.00 C ATOM 0 H LEU A 50 45.334 39.146 26.710 1.00 0.00 H new ATOM 0 HA LEU A 50 43.110 37.587 25.871 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.457 40.017 24.663 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.873 39.404 24.231 1.00 0.00 H new ATOM 0 HG LEU A 50 43.659 40.470 26.941 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.184 42.402 26.287 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.561 42.226 25.175 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.947 41.654 24.690 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.238 40.487 27.431 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.925 39.696 25.868 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.847 38.843 27.129 1.00 0.00 H new ATOM 813 N GLU A 51 43.832 36.293 23.888 1.00 0.00 N ATOM 814 CA GLU A 51 44.195 35.449 22.767 1.00 0.00 C ATOM 815 C GLU A 51 43.978 36.136 21.417 1.00 0.00 C ATOM 816 O GLU A 51 43.316 37.166 21.320 1.00 0.00 O ATOM 817 CB GLU A 51 43.427 34.135 22.860 1.00 0.00 C ATOM 818 CG GLU A 51 43.949 33.260 23.997 1.00 0.00 C ATOM 819 CD GLU A 51 43.124 31.989 24.200 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.684 31.365 23.210 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.940 31.569 25.362 1.00 0.00 O ATOM 0 H GLU A 51 42.938 36.036 24.307 1.00 0.00 H new ATOM 0 HA GLU A 51 45.265 35.247 22.824 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.368 34.342 23.015 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.511 33.596 21.917 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.984 32.986 23.791 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.950 33.837 24.921 1.00 0.00 H new ATOM 828 N ASP A 52 44.551 35.580 20.354 1.00 0.00 N ATOM 829 CA ASP A 52 44.505 36.151 19.023 1.00 0.00 C ATOM 830 C ASP A 52 43.257 35.733 18.244 1.00 0.00 C ATOM 831 O ASP A 52 42.670 36.538 17.523 1.00 0.00 O ATOM 832 CB ASP A 52 45.780 35.794 18.264 1.00 0.00 C ATOM 833 CG ASP A 52 47.032 36.466 18.831 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.356 37.588 18.384 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.707 35.870 19.698 1.00 0.00 O ATOM 0 H ASP A 52 45.069 34.703 20.400 1.00 0.00 H new ATOM 0 HA ASP A 52 44.444 37.234 19.129 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.916 34.713 18.285 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.664 36.081 17.219 1.00 0.00 H new ATOM 840 N GLY A 53 42.795 34.496 18.404 1.00 0.00 N ATOM 841 CA GLY A 53 41.703 33.907 17.655 1.00 0.00 C ATOM 842 C GLY A 53 40.293 34.199 18.174 1.00 0.00 C ATOM 843 O GLY A 53 39.402 33.389 17.934 1.00 0.00 O ATOM 0 H GLY A 53 43.192 33.854 19.090 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.768 34.255 16.624 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.844 32.826 17.636 1.00 0.00 H new ATOM 847 N ARG A 54 40.091 35.272 18.934 1.00 0.00 N ATOM 848 CA ARG A 54 38.864 35.605 19.630 1.00 0.00 C ATOM 849 C ARG A 54 38.478 37.071 19.423 1.00 0.00 C ATOM 850 O ARG A 54 39.297 37.857 18.953 1.00 0.00 O ATOM 851 CB ARG A 54 38.985 35.261 21.111 1.00 0.00 C ATOM 852 CG ARG A 54 39.504 33.855 21.398 1.00 0.00 C ATOM 853 CD ARG A 54 39.292 33.416 22.844 1.00 0.00 C ATOM 854 NE ARG A 54 37.897 33.052 23.088 1.00 0.00 N ATOM 855 CZ ARG A 54 37.369 32.562 24.218 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.086 32.354 25.330 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.067 32.247 24.269 1.00 0.00 N ATOM 0 H ARG A 54 40.823 35.967 19.085 1.00 0.00 H new ATOM 0 HA ARG A 54 38.060 35.004 19.205 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.650 35.983 21.585 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.007 35.375 21.578 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.005 33.149 20.734 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.568 33.814 21.165 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.937 32.566 23.067 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.583 34.222 23.518 1.00 0.00 H new ATOM 0 HE ARG A 54 37.252 33.186 22.309 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.083 32.571 25.342 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.635 31.979 26.165 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.477 32.380 23.447 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.666 31.874 25.129 1.00 0.00 H new ATOM 871 N THR A 55 37.259 37.457 19.791 1.00 0.00 N ATOM 872 CA THR A 55 36.763 38.815 19.697 1.00 0.00 C ATOM 873 C THR A 55 36.640 39.540 21.039 1.00 0.00 C ATOM 874 O THR A 55 36.644 38.932 22.106 1.00 0.00 O ATOM 875 CB THR A 55 35.443 38.926 18.939 1.00 0.00 C ATOM 876 OG1 THR A 55 34.362 38.426 19.695 1.00 0.00 O ATOM 877 CG2 THR A 55 35.449 38.228 17.582 1.00 0.00 C ATOM 0 H THR A 55 36.572 36.808 20.174 1.00 0.00 H new ATOM 0 HA THR A 55 37.540 39.319 19.123 1.00 0.00 H new ATOM 0 HB THR A 55 35.319 39.995 18.766 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.335 37.449 19.621 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.477 38.351 17.105 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.221 38.667 16.950 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.653 37.166 17.720 1.00 0.00 H new ATOM 885 N LEU A 56 36.488 40.861 20.984 1.00 0.00 N ATOM 886 CA LEU A 56 36.256 41.699 22.143 1.00 0.00 C ATOM 887 C LEU A 56 35.031 41.273 22.955 1.00 0.00 C ATOM 888 O LEU A 56 35.098 41.266 24.182 1.00 0.00 O ATOM 889 CB LEU A 56 36.131 43.149 21.685 1.00 0.00 C ATOM 890 CG LEU A 56 37.447 43.767 21.221 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.164 45.112 20.557 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.414 44.017 22.375 1.00 0.00 C ATOM 0 H LEU A 56 36.525 41.384 20.109 1.00 0.00 H new ATOM 0 HA LEU A 56 37.108 41.589 22.814 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.409 43.201 20.870 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.730 43.745 22.505 1.00 0.00 H new ATOM 0 HG LEU A 56 37.905 43.059 20.530 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.101 45.558 20.224 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.508 44.964 19.700 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.681 45.777 21.273 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.334 44.457 21.990 1.00 0.00 H new ATOM 0 HD22 LEU A 56 37.957 44.700 23.091 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.643 43.073 22.869 1.00 0.00 H new ATOM 904 N SER A 57 33.943 40.864 22.308 1.00 0.00 N ATOM 905 CA SER A 57 32.774 40.328 22.976 1.00 0.00 C ATOM 906 C SER A 57 32.909 38.875 23.435 1.00 0.00 C ATOM 907 O SER A 57 32.208 38.499 24.372 1.00 0.00 O ATOM 908 CB SER A 57 31.502 40.544 22.159 1.00 0.00 C ATOM 909 OG SER A 57 31.594 39.990 20.866 1.00 0.00 O ATOM 0 H SER A 57 33.853 40.898 21.293 1.00 0.00 H new ATOM 0 HA SER A 57 32.692 40.907 23.896 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.657 40.098 22.683 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.301 41.612 22.080 1.00 0.00 H new ATOM 0 HG SER A 57 32.157 40.563 20.304 1.00 0.00 H new ATOM 915 N ASP A 58 33.841 38.083 22.912 1.00 0.00 N ATOM 916 CA ASP A 58 34.189 36.808 23.504 1.00 0.00 C ATOM 917 C ASP A 58 34.858 36.970 24.870 1.00 0.00 C ATOM 918 O ASP A 58 34.646 36.150 25.761 1.00 0.00 O ATOM 919 CB ASP A 58 35.060 35.962 22.580 1.00 0.00 C ATOM 920 CG ASP A 58 34.343 35.579 21.283 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.259 34.960 21.341 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.835 35.963 20.200 1.00 0.00 O ATOM 0 H ASP A 58 34.370 38.311 22.070 1.00 0.00 H new ATOM 0 HA ASP A 58 33.248 36.279 23.653 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.969 36.513 22.339 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.365 35.056 23.103 1.00 0.00 H new ATOM 927 N TYR A 59 35.575 38.070 25.083 1.00 0.00 N ATOM 928 CA TYR A 59 36.090 38.499 26.368 1.00 0.00 C ATOM 929 C TYR A 59 35.182 39.464 27.133 1.00 0.00 C ATOM 930 O TYR A 59 35.515 39.831 28.257 1.00 0.00 O ATOM 931 CB TYR A 59 37.491 39.074 26.178 1.00 0.00 C ATOM 932 CG TYR A 59 38.560 38.026 25.979 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.009 37.300 27.088 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.113 37.800 24.714 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.028 36.350 26.941 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.142 36.864 24.559 1.00 0.00 C ATOM 937 CZ TYR A 59 40.598 36.130 25.672 1.00 0.00 C ATOM 938 OH TYR A 59 41.607 35.222 25.532 1.00 0.00 O ATOM 0 H TYR A 59 35.820 38.710 24.328 1.00 0.00 H new ATOM 0 HA TYR A 59 36.128 37.614 27.004 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.485 39.742 25.316 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.746 39.679 27.048 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.569 37.472 28.059 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.746 38.347 23.858 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.375 35.789 27.796 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.586 36.705 23.587 1.00 0.00 H new ATOM 0 HH TYR A 59 41.331 34.521 24.905 1.00 0.00 H new ATOM 948 N ASN A 60 34.044 39.875 26.580 1.00 0.00 N ATOM 949 CA ASN A 60 33.134 40.849 27.149 1.00 0.00 C ATOM 950 C ASN A 60 33.815 42.133 27.630 1.00 0.00 C ATOM 951 O ASN A 60 33.576 42.616 28.734 1.00 0.00 O ATOM 952 CB ASN A 60 32.223 40.174 28.170 1.00 0.00 C ATOM 953 CG ASN A 60 30.944 40.959 28.471 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.663 42.026 27.931 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.098 40.396 29.329 1.00 0.00 N ATOM 0 H ASN A 60 33.722 39.518 25.681 1.00 0.00 H new ATOM 0 HA ASN A 60 32.492 41.221 26.351 1.00 0.00 H new ATOM 0 HB2 ASN A 60 31.953 39.184 27.803 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.777 40.030 29.098 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.210 40.850 29.542 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.337 39.510 29.774 1.00 0.00 H new ATOM 962 N ILE A 61 34.694 42.690 26.802 1.00 0.00 N ATOM 963 CA ILE A 61 35.403 43.925 27.071 1.00 0.00 C ATOM 964 C ILE A 61 34.452 45.102 26.844 1.00 0.00 C ATOM 965 O ILE A 61 34.011 45.341 25.722 1.00 0.00 O ATOM 966 CB ILE A 61 36.688 43.997 26.253 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.674 42.943 26.750 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.335 45.376 26.345 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.774 42.601 25.749 1.00 0.00 C ATOM 0 H ILE A 61 34.936 42.278 25.901 1.00 0.00 H new ATOM 0 HA ILE A 61 35.724 43.968 28.112 1.00 0.00 H new ATOM 0 HB ILE A 61 36.431 43.809 25.210 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.134 43.297 27.673 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.125 42.034 26.996 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.248 45.390 25.750 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.643 46.128 25.966 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.576 45.596 27.385 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.433 41.845 26.177 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.326 42.215 24.833 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.350 43.498 25.521 1.00 0.00 H new ATOM 981 N GLN A 62 34.122 45.827 27.910 1.00 0.00 N ATOM 982 CA GLN A 62 33.233 46.971 27.910 1.00 0.00 C ATOM 983 C GLN A 62 33.935 48.246 27.440 1.00 0.00 C ATOM 984 O GLN A 62 35.160 48.347 27.453 1.00 0.00 O ATOM 985 CB GLN A 62 32.659 47.160 29.311 1.00 0.00 C ATOM 986 CG GLN A 62 31.707 46.048 29.744 1.00 0.00 C ATOM 987 CD GLN A 62 31.270 46.236 31.199 1.00 0.00 C ATOM 988 OE1 GLN A 62 32.024 45.995 32.139 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.054 46.708 31.457 1.00 0.00 N ATOM 0 H GLN A 62 34.488 45.617 28.839 1.00 0.00 H new ATOM 0 HA GLN A 62 32.427 46.777 27.203 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.481 47.220 30.025 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.131 48.113 29.351 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.831 46.041 29.095 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.196 45.081 29.629 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.414 46.914 30.690 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.762 46.864 32.422 1.00 0.00 H new ATOM 998 N LYS A 63 33.157 49.264 27.082 1.00 0.00 N ATOM 999 CA LYS A 63 33.651 50.570 26.696 1.00 0.00 C ATOM 1000 C LYS A 63 34.497 51.227 27.788 1.00 0.00 C ATOM 1001 O LYS A 63 34.235 51.090 28.981 1.00 0.00 O ATOM 1002 CB LYS A 63 32.505 51.463 26.229 1.00 0.00 C ATOM 1003 CG LYS A 63 31.548 51.874 27.344 1.00 0.00 C ATOM 1004 CD LYS A 63 30.322 52.602 26.799 1.00 0.00 C ATOM 1005 CE LYS A 63 29.342 52.864 27.939 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.207 53.691 27.503 1.00 0.00 N ATOM 0 H LYS A 63 32.140 49.195 27.054 1.00 0.00 H new ATOM 0 HA LYS A 63 34.326 50.428 25.852 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.920 52.361 25.771 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.943 50.941 25.455 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.230 50.989 27.895 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.069 52.519 28.051 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.620 53.543 26.337 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.844 52.003 26.024 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.972 51.915 28.326 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.861 53.362 28.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.563 53.847 28.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.558 54.607 27.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.696 53.204 26.739 1.00 0.00 H new ATOM 1020 N GLU A 64 35.539 51.936 27.362 1.00 0.00 N ATOM 1021 CA GLU A 64 36.485 52.669 28.178 1.00 0.00 C ATOM 1022 C GLU A 64 37.226 51.822 29.215 1.00 0.00 C ATOM 1023 O GLU A 64 37.752 52.336 30.199 1.00 0.00 O ATOM 1024 CB GLU A 64 35.840 53.948 28.704 1.00 0.00 C ATOM 1025 CG GLU A 64 35.464 54.911 27.581 1.00 0.00 C ATOM 1026 CD GLU A 64 34.710 56.141 28.090 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.556 56.368 27.667 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.278 56.917 28.888 1.00 0.00 O ATOM 0 H GLU A 64 35.754 52.015 26.368 1.00 0.00 H new ATOM 0 HA GLU A 64 37.311 52.978 27.537 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.947 53.694 29.276 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.527 54.444 29.390 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.368 55.232 27.064 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.848 54.388 26.850 1.00 0.00 H new ATOM 1035 N SER A 65 37.317 50.516 28.977 1.00 0.00 N ATOM 1036 CA SER A 65 38.215 49.610 29.665 1.00 0.00 C ATOM 1037 C SER A 65 39.671 49.829 29.246 1.00 0.00 C ATOM 1038 O SER A 65 39.920 50.294 28.136 1.00 0.00 O ATOM 1039 CB SER A 65 37.857 48.152 29.391 1.00 0.00 C ATOM 1040 OG SER A 65 36.504 47.878 29.679 1.00 0.00 O ATOM 0 H SER A 65 36.745 50.049 28.274 1.00 0.00 H new ATOM 0 HA SER A 65 38.104 49.824 30.728 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.060 47.919 28.346 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.494 47.503 29.992 1.00 0.00 H new ATOM 0 HG SER A 65 36.003 47.789 28.842 1.00 0.00 H new ATOM 1046 N THR A 66 40.619 49.452 30.098 1.00 0.00 N ATOM 1047 CA THR A 66 42.042 49.615 29.872 1.00 0.00 C ATOM 1048 C THR A 66 42.751 48.270 29.703 1.00 0.00 C ATOM 1049 O THR A 66 42.706 47.413 30.583 1.00 0.00 O ATOM 1050 CB THR A 66 42.697 50.428 30.984 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.035 51.664 31.134 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.157 50.766 30.696 1.00 0.00 C ATOM 0 H THR A 66 40.406 49.011 30.993 1.00 0.00 H new ATOM 0 HA THR A 66 42.149 50.168 28.939 1.00 0.00 H new ATOM 0 HB THR A 66 42.633 49.806 31.877 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.461 52.178 31.851 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.567 51.345 31.524 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.728 49.845 30.580 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.221 51.350 29.778 1.00 0.00 H new ATOM 1060 N LEU A 67 43.443 48.113 28.577 1.00 0.00 N ATOM 1061 CA LEU A 67 44.342 47.024 28.253 1.00 0.00 C ATOM 1062 C LEU A 67 45.791 47.466 28.470 1.00 0.00 C ATOM 1063 O LEU A 67 46.101 48.649 28.348 1.00 0.00 O ATOM 1064 CB LEU A 67 44.120 46.601 26.804 1.00 0.00 C ATOM 1065 CG LEU A 67 42.948 45.666 26.523 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.589 46.183 26.988 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.864 45.413 25.021 1.00 0.00 C ATOM 0 H LEU A 67 43.381 48.793 27.820 1.00 0.00 H new ATOM 0 HA LEU A 67 44.140 46.173 28.904 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.984 47.502 26.206 1.00 0.00 H new ATOM 0 HB3 LEU A 67 45.030 46.118 26.450 1.00 0.00 H new ATOM 0 HG LEU A 67 43.152 44.760 27.094 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.819 45.451 26.745 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.610 46.344 28.066 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.366 47.124 26.485 1.00 0.00 H new ATOM 0 HD21 LEU A 67 42.029 44.745 24.811 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.713 46.359 24.501 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.791 44.954 24.677 1.00 0.00 H new ATOM 1079 N HIS A 68 46.702 46.533 28.732 1.00 0.00 N ATOM 1080 CA HIS A 68 48.113 46.802 28.918 1.00 0.00 C ATOM 1081 C HIS A 68 48.960 46.022 27.910 1.00 0.00 C ATOM 1082 O HIS A 68 48.802 44.811 27.778 1.00 0.00 O ATOM 1083 CB HIS A 68 48.520 46.485 30.355 1.00 0.00 C ATOM 1084 CG HIS A 68 47.816 47.311 31.397 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.340 48.445 32.015 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.572 47.058 31.917 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.407 48.863 32.874 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.335 48.054 32.843 1.00 0.00 N ATOM 0 H HIS A 68 46.466 45.545 28.822 1.00 0.00 H new ATOM 0 HA HIS A 68 48.294 47.862 28.737 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.324 45.431 30.551 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.595 46.634 30.456 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.912 46.244 31.655 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.501 49.733 33.507 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.491 48.158 33.407 1.00 0.00 H new ATOM 1096 N LEU A 69 49.867 46.700 27.213 1.00 0.00 N ATOM 1097 CA LEU A 69 50.771 46.113 26.246 1.00 0.00 C ATOM 1098 C LEU A 69 52.033 45.575 26.923 1.00 0.00 C ATOM 1099 O LEU A 69 52.604 46.253 27.773 1.00 0.00 O ATOM 1100 CB LEU A 69 51.078 47.164 25.183 1.00 0.00 C ATOM 1101 CG LEU A 69 52.031 46.740 24.069 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.525 45.566 23.235 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.234 47.909 23.109 1.00 0.00 C ATOM 0 H LEU A 69 49.992 47.707 27.314 1.00 0.00 H new ATOM 0 HA LEU A 69 50.305 45.252 25.766 1.00 0.00 H new ATOM 0 HB2 LEU A 69 50.138 47.476 24.729 1.00 0.00 H new ATOM 0 HB3 LEU A 69 51.498 48.039 25.678 1.00 0.00 H new ATOM 0 HG LEU A 69 52.951 46.433 24.567 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.257 45.324 22.465 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.377 44.699 23.879 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.579 45.835 22.765 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.914 47.611 22.311 1.00 0.00 H new ATOM 0 HD22 LEU A 69 51.275 48.197 22.679 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.658 48.755 23.650 1.00 0.00 H new ATOM 1115 N VAL A 70 52.471 44.379 26.540 1.00 0.00 N ATOM 1116 CA VAL A 70 53.649 43.711 27.056 1.00 0.00 C ATOM 1117 C VAL A 70 54.515 43.155 25.924 1.00 0.00 C ATOM 1118 O VAL A 70 53.992 42.618 24.950 1.00 0.00 O ATOM 1119 CB VAL A 70 53.269 42.607 28.037 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.490 41.928 28.649 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.440 43.133 29.205 1.00 0.00 C ATOM 0 H VAL A 70 51.989 43.829 25.829 1.00 0.00 H new ATOM 0 HA VAL A 70 54.238 44.455 27.593 1.00 0.00 H new ATOM 0 HB VAL A 70 52.693 41.898 27.442 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.166 41.150 29.340 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.093 41.482 27.858 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.085 42.666 29.187 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.194 42.310 29.876 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.012 43.885 29.748 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.521 43.580 28.827 1.00 0.00 H new ATOM 1131 N LEU A 71 55.832 43.238 26.090 1.00 0.00 N ATOM 1132 CA LEU A 71 56.859 42.703 25.219 1.00 0.00 C ATOM 1133 C LEU A 71 57.638 41.587 25.919 1.00 0.00 C ATOM 1134 O LEU A 71 58.040 41.741 27.070 1.00 0.00 O ATOM 1135 CB LEU A 71 57.762 43.860 24.801 1.00 0.00 C ATOM 1136 CG LEU A 71 58.946 43.511 23.903 1.00 0.00 C ATOM 1137 CD1 LEU A 71 58.508 42.984 22.540 1.00 0.00 C ATOM 1138 CD2 LEU A 71 59.793 44.760 23.679 1.00 0.00 C ATOM 0 H LEU A 71 56.232 43.717 26.897 1.00 0.00 H new ATOM 0 HA LEU A 71 56.415 42.252 24.331 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.150 44.601 24.286 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.147 44.335 25.703 1.00 0.00 H new ATOM 0 HG LEU A 71 59.512 42.728 24.407 1.00 0.00 H new ATOM 0 HD11 LEU A 71 59.388 42.751 21.940 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.910 42.082 22.673 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.912 43.742 22.031 1.00 0.00 H new ATOM 0 HD21 LEU A 71 60.640 44.515 23.038 1.00 0.00 H new ATOM 0 HD22 LEU A 71 59.187 45.530 23.201 1.00 0.00 H new ATOM 0 HD23 LEU A 71 60.158 45.129 24.638 1.00 0.00 H new ATOM 1150 N ARG A 72 57.912 40.494 25.214 1.00 0.00 N ATOM 1151 CA ARG A 72 58.826 39.452 25.637 1.00 0.00 C ATOM 1152 C ARG A 72 60.263 39.974 25.595 1.00 0.00 C ATOM 1153 O ARG A 72 60.823 40.116 24.510 1.00 0.00 O ATOM 1154 CB ARG A 72 58.659 38.212 24.764 1.00 0.00 C ATOM 1155 CG ARG A 72 57.371 37.449 25.062 1.00 0.00 C ATOM 1156 CD ARG A 72 57.152 36.262 24.127 1.00 0.00 C ATOM 1157 NE ARG A 72 56.779 36.676 22.775 1.00 0.00 N ATOM 1158 CZ ARG A 72 55.912 36.067 21.954 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.298 34.912 22.245 1.00 0.00 N ATOM 1160 NH2 ARG A 72 55.607 36.598 20.762 1.00 0.00 N ATOM 0 H ARG A 72 57.488 40.308 24.305 1.00 0.00 H new ATOM 0 HA ARG A 72 58.596 39.167 26.664 1.00 0.00 H new ATOM 0 HB2 ARG A 72 58.666 38.508 23.715 1.00 0.00 H new ATOM 0 HB3 ARG A 72 59.512 37.550 24.914 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.396 37.094 26.092 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.524 38.130 24.980 1.00 0.00 H new ATOM 0 HD2 ARG A 72 58.063 35.666 24.083 1.00 0.00 H new ATOM 0 HD3 ARG A 72 56.371 35.621 24.536 1.00 0.00 H new ATOM 0 HE ARG A 72 57.227 37.520 22.418 1.00 0.00 H new ATOM 0 HH11 ARG A 72 55.481 34.447 23.134 1.00 0.00 H new ATOM 0 HH12 ARG A 72 54.647 34.498 21.577 1.00 0.00 H new ATOM 0 HH21 ARG A 72 56.036 37.476 20.470 1.00 0.00 H new ATOM 0 HH22 ARG A 72 54.946 36.124 20.147 1.00 0.00 H new ATOM 1174 N LEU A 73 60.855 40.241 26.756 1.00 0.00 N ATOM 1175 CA LEU A 73 62.168 40.837 26.908 1.00 0.00 C ATOM 1176 C LEU A 73 63.259 39.777 26.739 1.00 0.00 C ATOM 1177 O LEU A 73 63.657 39.120 27.698 1.00 0.00 O ATOM 1178 CB LEU A 73 62.267 41.539 28.259 1.00 0.00 C ATOM 1179 CG LEU A 73 61.266 42.663 28.508 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.457 43.207 29.921 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.405 43.821 27.524 1.00 0.00 C ATOM 0 H LEU A 73 60.410 40.037 27.651 1.00 0.00 H new ATOM 0 HA LEU A 73 62.317 41.585 26.129 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.145 40.792 29.043 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.273 41.947 28.360 1.00 0.00 H new ATOM 0 HG LEU A 73 60.274 42.232 28.374 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.743 44.010 30.101 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.294 42.408 30.644 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.471 43.592 30.029 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.664 44.586 27.756 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.405 44.248 27.603 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.245 43.457 26.509 1.00 0.00 H new ATOM 1193 N ARG A 74 63.711 39.581 25.503 1.00 0.00 N ATOM 1194 CA ARG A 74 64.633 38.535 25.112 1.00 0.00 C ATOM 1195 C ARG A 74 66.002 38.673 25.780 1.00 0.00 C ATOM 1196 O ARG A 74 66.440 39.788 26.055 1.00 0.00 O ATOM 1197 CB ARG A 74 64.781 38.484 23.594 1.00 0.00 C ATOM 1198 CG ARG A 74 63.489 38.442 22.784 1.00 0.00 C ATOM 1199 CD ARG A 74 62.555 37.301 23.176 1.00 0.00 C ATOM 1200 NE ARG A 74 61.434 37.201 22.240 1.00 0.00 N ATOM 1201 CZ ARG A 74 60.613 36.155 22.077 1.00 0.00 C ATOM 1202 NH1 ARG A 74 60.612 35.104 22.910 1.00 0.00 N ATOM 1203 NH2 ARG A 74 59.756 36.139 21.049 1.00 0.00 N ATOM 0 H ARG A 74 63.430 40.173 24.721 1.00 0.00 H new ATOM 0 HA ARG A 74 64.204 37.595 25.459 1.00 0.00 H new ATOM 0 HB2 ARG A 74 65.353 39.356 23.278 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.372 37.605 23.338 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.963 39.389 22.907 1.00 0.00 H new ATOM 0 HG3 ARG A 74 63.737 38.350 21.727 1.00 0.00 H new ATOM 0 HD2 ARG A 74 63.108 36.362 23.190 1.00 0.00 H new ATOM 0 HD3 ARG A 74 62.178 37.464 24.186 1.00 0.00 H new ATOM 0 HE ARG A 74 61.259 38.014 21.649 1.00 0.00 H new ATOM 0 HH11 ARG A 74 61.253 35.081 23.703 1.00 0.00 H new ATOM 0 HH12 ARG A 74 59.970 34.327 22.750 1.00 0.00 H new ATOM 0 HH21 ARG A 74 59.730 36.921 20.394 1.00 0.00 H new ATOM 0 HH22 ARG A 74 59.129 35.345 20.920 1.00 0.00 H new ATOM 1217 N GLY A 75 66.691 37.559 26.014 1.00 0.00 N ATOM 1218 CA GLY A 75 68.005 37.528 26.625 1.00 0.00 C ATOM 1219 C GLY A 75 68.764 36.217 26.407 1.00 0.00 C ATOM 1220 O GLY A 75 68.209 35.261 25.872 1.00 0.00 O ATOM 0 H GLY A 75 66.337 36.633 25.776 1.00 0.00 H new ATOM 0 HA2 GLY A 75 68.599 38.350 26.226 1.00 0.00 H new ATOM 0 HA3 GLY A 75 67.900 37.701 27.696 1.00 0.00 H new ATOM 1224 N GLY A 76 70.034 36.184 26.800 1.00 0.00 N ATOM 1225 CA GLY A 76 70.935 35.052 26.712 1.00 0.00 C ATOM 1226 C GLY A 76 71.371 34.522 28.079 1.00 0.00 C ATOM 1227 O GLY A 76 71.948 35.301 28.868 1.00 0.00 O ATOM 1228 OXT GLY A 76 71.108 33.334 28.365 1.00 0.00 O ATOM 0 H GLY A 76 70.484 37.001 27.213 1.00 0.00 H new ATOM 0 HA2 GLY A 76 70.448 34.250 26.157 1.00 0.00 H new ATOM 0 HA3 GLY A 76 71.818 35.342 26.143 1.00 0.00 H new TER 1232 GLY A 76