USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 -61:sc= 1.2 USER MOD Set 1.2: A 57 SER OG : rot -81:sc= 0.596 USER MOD Single : A 1 MET CE :methyl 174:sc= 0 (180deg=-0.0514) USER MOD Single : A 1 MET N :NH3+ -167:sc= 1.22 (180deg=1.09) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00488) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 137:sc= -0.0728 (180deg=-0.325!) 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= 0.0143 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 27 LYS NZ :NH3+ 154:sc= 1.27 (180deg=0.503) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0508 K(o=-0.051,f=-0.9) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0.967 (180deg=0.943) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 41 GLN : amide:sc= 1.99 K(o=2,f=-2.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 80:sc= 0.422 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 62 GLN : amide:sc=-0.00126 K(o=-0.0013,f=-0.82) USER MOD Single : A 63 LYS NZ :NH3+ -177:sc= 0.544 (180deg=0.522) USER MOD Single : A 65 SER OG : rot -150:sc= 0.515 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 32.594 51.600 19.972 1.00 0.00 N ATOM 2 CA MET A 1 33.038 51.358 21.353 1.00 0.00 C ATOM 3 C MET A 1 34.458 51.891 21.559 1.00 0.00 C ATOM 4 O MET A 1 35.368 51.490 20.837 1.00 0.00 O ATOM 5 CB MET A 1 32.964 49.872 21.692 1.00 0.00 C ATOM 6 CG MET A 1 33.232 49.580 23.166 1.00 0.00 C ATOM 7 SD MET A 1 33.030 47.833 23.597 1.00 0.00 S ATOM 8 CE MET A 1 34.462 47.088 22.779 1.00 0.00 C ATOM 0 H1 MET A 1 31.569 51.439 19.904 1.00 0.00 H new ATOM 0 H2 MET A 1 32.809 52.582 19.705 1.00 0.00 H new ATOM 0 H3 MET A 1 33.090 50.950 19.329 1.00 0.00 H new ATOM 0 HA MET A 1 32.369 51.892 22.028 1.00 0.00 H new ATOM 0 HB2 MET A 1 31.977 49.494 21.426 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.688 49.330 21.083 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.246 49.893 23.413 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.556 50.178 23.777 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.526 46.033 23.047 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.354 47.182 21.699 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.370 47.599 23.099 1.00 0.00 H new ATOM 20 N GLN A 2 34.663 52.762 22.542 1.00 0.00 N ATOM 21 CA GLN A 2 35.955 53.320 22.886 1.00 0.00 C ATOM 22 C GLN A 2 36.645 52.488 23.969 1.00 0.00 C ATOM 23 O GLN A 2 36.033 52.207 24.997 1.00 0.00 O ATOM 24 CB GLN A 2 35.764 54.768 23.327 1.00 0.00 C ATOM 25 CG GLN A 2 37.078 55.519 23.522 1.00 0.00 C ATOM 26 CD GLN A 2 36.858 56.853 24.237 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.982 56.966 25.454 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.462 57.913 23.537 1.00 0.00 N ATOM 0 H GLN A 2 33.908 53.106 23.136 1.00 0.00 H new ATOM 0 HA GLN A 2 36.606 53.297 22.012 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.162 55.290 22.583 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.202 54.785 24.261 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.768 54.904 24.100 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.545 55.696 22.553 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.352 57.844 22.525 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.269 58.795 24.012 1.00 0.00 H new ATOM 37 N ILE A 3 37.915 52.147 23.771 1.00 0.00 N ATOM 38 CA ILE A 3 38.738 51.418 24.715 1.00 0.00 C ATOM 39 C ILE A 3 40.066 52.130 24.981 1.00 0.00 C ATOM 40 O ILE A 3 40.533 52.900 24.143 1.00 0.00 O ATOM 41 CB ILE A 3 38.954 49.970 24.286 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.738 49.839 22.984 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.626 49.222 24.211 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.252 48.429 22.705 1.00 0.00 C ATOM 0 H ILE A 3 38.413 52.383 22.913 1.00 0.00 H new ATOM 0 HA ILE A 3 38.190 51.394 25.657 1.00 0.00 H new ATOM 0 HB ILE A 3 39.571 49.508 25.056 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.102 50.153 22.156 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.585 50.524 23.012 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.805 48.192 23.903 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.148 49.230 25.191 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.974 49.709 23.486 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.798 48.421 21.762 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.916 48.118 23.511 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.409 47.740 22.642 1.00 0.00 H new ATOM 56 N PHE A 4 40.709 51.815 26.101 1.00 0.00 N ATOM 57 CA PHE A 4 42.020 52.317 26.459 1.00 0.00 C ATOM 58 C PHE A 4 43.063 51.201 26.532 1.00 0.00 C ATOM 59 O PHE A 4 42.772 50.104 27.004 1.00 0.00 O ATOM 60 CB PHE A 4 41.959 53.064 27.789 1.00 0.00 C ATOM 61 CG PHE A 4 40.910 54.143 27.921 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.775 55.128 26.935 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.099 54.195 29.061 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.825 56.145 27.080 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.159 55.220 29.218 1.00 0.00 C ATOM 66 CZ PHE A 4 39.016 56.193 28.222 1.00 0.00 C ATOM 0 H PHE A 4 40.316 51.185 26.801 1.00 0.00 H new ATOM 0 HA PHE A 4 42.328 53.005 25.672 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.795 52.333 28.581 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.934 53.516 27.969 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.407 55.103 26.059 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.199 53.438 29.825 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.715 56.894 26.310 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.545 55.260 30.106 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.284 56.979 28.334 1.00 0.00 H new ATOM 76 N VAL A 5 44.299 51.491 26.134 1.00 0.00 N ATOM 77 CA VAL A 5 45.443 50.616 26.289 1.00 0.00 C ATOM 78 C VAL A 5 46.600 51.378 26.937 1.00 0.00 C ATOM 79 O VAL A 5 47.054 52.399 26.425 1.00 0.00 O ATOM 80 CB VAL A 5 45.870 49.974 24.972 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.927 48.902 25.215 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.717 49.315 24.219 1.00 0.00 C ATOM 0 H VAL A 5 44.533 52.374 25.680 1.00 0.00 H new ATOM 0 HA VAL A 5 45.147 49.797 26.945 1.00 0.00 H new ATOM 0 HB VAL A 5 46.261 50.791 24.366 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.218 48.456 24.264 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.800 49.352 25.687 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.519 48.130 25.868 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.090 48.878 23.292 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.278 48.532 24.838 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.958 50.063 23.988 1.00 0.00 H new ATOM 92 N LYS A 6 47.083 50.878 28.071 1.00 0.00 N ATOM 93 CA LYS A 6 48.179 51.411 28.854 1.00 0.00 C ATOM 94 C LYS A 6 49.493 50.727 28.472 1.00 0.00 C ATOM 95 O LYS A 6 49.511 49.510 28.304 1.00 0.00 O ATOM 96 CB LYS A 6 47.838 51.214 30.329 1.00 0.00 C ATOM 97 CG LYS A 6 48.553 52.220 31.229 1.00 0.00 C ATOM 98 CD LYS A 6 48.326 51.919 32.708 1.00 0.00 C ATOM 99 CE LYS A 6 48.712 53.069 33.632 1.00 0.00 C ATOM 100 NZ LYS A 6 50.118 53.481 33.500 1.00 0.00 N ATOM 0 H LYS A 6 46.689 50.035 28.489 1.00 0.00 H new ATOM 0 HA LYS A 6 48.315 52.474 28.656 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.761 51.309 30.466 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.110 50.203 30.631 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.622 52.204 31.015 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.198 53.226 31.004 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.275 51.676 32.863 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.901 51.035 32.983 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.070 53.924 33.422 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.523 52.774 34.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.322 54.242 34.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 50.738 52.669 33.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 50.290 53.824 32.533 1.00 0.00 H new ATOM 114 N THR A 7 50.594 51.466 28.372 1.00 0.00 N ATOM 115 CA THR A 7 51.912 50.911 28.141 1.00 0.00 C ATOM 116 C THR A 7 52.758 50.925 29.415 1.00 0.00 C ATOM 117 O THR A 7 52.547 51.744 30.308 1.00 0.00 O ATOM 118 CB THR A 7 52.644 51.534 26.956 1.00 0.00 C ATOM 119 OG1 THR A 7 53.220 52.780 27.281 1.00 0.00 O ATOM 120 CG2 THR A 7 51.747 51.728 25.738 1.00 0.00 C ATOM 0 H THR A 7 50.589 52.483 28.451 1.00 0.00 H new ATOM 0 HA THR A 7 51.752 49.870 27.860 1.00 0.00 H new ATOM 0 HB THR A 7 53.428 50.818 26.708 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.680 53.143 26.495 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.324 52.175 24.928 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.357 50.762 25.416 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.918 52.386 25.998 1.00 0.00 H new ATOM 128 N LEU A 8 53.713 50.006 29.521 1.00 0.00 N ATOM 129 CA LEU A 8 54.533 49.806 30.700 1.00 0.00 C ATOM 130 C LEU A 8 55.337 51.050 31.086 1.00 0.00 C ATOM 131 O LEU A 8 55.476 51.331 32.274 1.00 0.00 O ATOM 132 CB LEU A 8 55.430 48.598 30.447 1.00 0.00 C ATOM 133 CG LEU A 8 56.252 48.129 31.644 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.386 47.567 32.770 1.00 0.00 C ATOM 135 CD2 LEU A 8 57.199 47.026 31.180 1.00 0.00 C ATOM 0 H LEU A 8 53.940 49.363 28.763 1.00 0.00 H new ATOM 0 HA LEU A 8 53.887 49.619 31.558 1.00 0.00 H new ATOM 0 HB2 LEU A 8 54.808 47.770 30.109 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.112 48.838 29.631 1.00 0.00 H new ATOM 0 HG LEU A 8 56.788 48.995 32.032 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.023 47.249 33.595 1.00 0.00 H new ATOM 0 HD12 LEU A 8 54.698 48.337 33.119 1.00 0.00 H new ATOM 0 HD13 LEU A 8 54.818 46.713 32.401 1.00 0.00 H new ATOM 0 HD21 LEU A 8 57.795 46.679 32.024 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.620 46.194 30.778 1.00 0.00 H new ATOM 0 HD23 LEU A 8 57.860 47.416 30.406 1.00 0.00 H new ATOM 147 N THR A 9 55.804 51.828 30.115 1.00 0.00 N ATOM 148 CA THR A 9 56.506 53.080 30.315 1.00 0.00 C ATOM 149 C THR A 9 55.606 54.315 30.392 1.00 0.00 C ATOM 150 O THR A 9 56.099 55.438 30.311 1.00 0.00 O ATOM 151 CB THR A 9 57.628 53.278 29.302 1.00 0.00 C ATOM 152 OG1 THR A 9 57.120 53.255 27.986 1.00 0.00 O ATOM 153 CG2 THR A 9 58.683 52.180 29.400 1.00 0.00 C ATOM 0 H THR A 9 55.697 51.589 29.129 1.00 0.00 H new ATOM 0 HA THR A 9 56.950 52.984 31.306 1.00 0.00 H new ATOM 0 HB THR A 9 58.079 54.244 29.530 1.00 0.00 H new ATOM 0 HG1 THR A 9 57.854 53.385 27.350 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.464 52.359 28.661 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.120 52.184 30.398 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.219 51.212 29.211 1.00 0.00 H new ATOM 161 N GLY A 10 54.299 54.155 30.582 1.00 0.00 N ATOM 162 CA GLY A 10 53.428 55.233 31.004 1.00 0.00 C ATOM 163 C GLY A 10 52.753 56.054 29.904 1.00 0.00 C ATOM 164 O GLY A 10 52.302 57.167 30.164 1.00 0.00 O ATOM 0 H GLY A 10 53.818 53.266 30.445 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.648 54.810 31.637 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.009 55.914 31.626 1.00 0.00 H new ATOM 168 N LYS A 11 52.646 55.518 28.691 1.00 0.00 N ATOM 169 CA LYS A 11 51.797 56.052 27.644 1.00 0.00 C ATOM 170 C LYS A 11 50.372 55.518 27.797 1.00 0.00 C ATOM 171 O LYS A 11 50.178 54.442 28.360 1.00 0.00 O ATOM 172 CB LYS A 11 52.412 55.706 26.291 1.00 0.00 C ATOM 173 CG LYS A 11 52.076 56.652 25.142 1.00 0.00 C ATOM 174 CD LYS A 11 52.891 56.260 23.912 1.00 0.00 C ATOM 175 CE LYS A 11 52.873 57.290 22.786 1.00 0.00 C ATOM 176 NZ LYS A 11 51.642 57.252 21.983 1.00 0.00 N ATOM 0 H LYS A 11 53.160 54.683 28.408 1.00 0.00 H new ATOM 0 HA LYS A 11 51.732 57.138 27.718 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.496 55.674 26.404 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.091 54.702 26.014 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.011 56.605 24.917 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.297 57.681 25.426 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.924 56.090 24.215 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.512 55.313 23.527 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.990 58.286 23.212 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.730 57.120 22.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.318 58.223 21.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.831 56.772 21.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 50.904 56.735 22.502 1.00 0.00 H new ATOM 190 N THR A 12 49.376 56.232 27.278 1.00 0.00 N ATOM 191 CA THR A 12 48.016 55.745 27.168 1.00 0.00 C ATOM 192 C THR A 12 47.483 55.978 25.752 1.00 0.00 C ATOM 193 O THR A 12 47.564 57.085 25.226 1.00 0.00 O ATOM 194 CB THR A 12 47.084 56.349 28.215 1.00 0.00 C ATOM 195 OG1 THR A 12 47.558 56.074 29.514 1.00 0.00 O ATOM 196 CG2 THR A 12 45.688 55.735 28.159 1.00 0.00 C ATOM 0 H THR A 12 49.500 57.179 26.919 1.00 0.00 H new ATOM 0 HA THR A 12 48.040 54.673 27.366 1.00 0.00 H new ATOM 0 HB THR A 12 47.050 57.417 28.001 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.951 56.469 30.174 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.058 56.194 28.921 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.253 55.910 27.175 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.755 54.662 28.341 1.00 0.00 H new ATOM 204 N ILE A 13 46.943 54.927 25.142 1.00 0.00 N ATOM 205 CA ILE A 13 46.439 54.873 23.785 1.00 0.00 C ATOM 206 C ILE A 13 44.920 54.706 23.856 1.00 0.00 C ATOM 207 O ILE A 13 44.432 53.920 24.666 1.00 0.00 O ATOM 208 CB ILE A 13 47.085 53.706 23.043 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.610 53.744 23.039 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.571 53.613 21.609 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.225 52.350 22.954 1.00 0.00 C ATOM 0 H ILE A 13 46.842 54.032 25.621 1.00 0.00 H new ATOM 0 HA ILE A 13 46.681 55.787 23.242 1.00 0.00 H new ATOM 0 HB ILE A 13 46.792 52.816 23.600 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.954 54.342 22.195 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.961 54.239 23.945 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.049 52.773 21.105 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.491 53.464 21.618 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.806 54.535 21.078 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.312 52.431 22.954 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.905 51.758 23.812 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.898 51.863 22.035 1.00 0.00 H new ATOM 223 N THR A 14 44.171 55.393 22.999 1.00 0.00 N ATOM 224 CA THR A 14 42.733 55.265 22.872 1.00 0.00 C ATOM 225 C THR A 14 42.379 54.752 21.474 1.00 0.00 C ATOM 226 O THR A 14 42.955 55.208 20.488 1.00 0.00 O ATOM 227 CB THR A 14 42.043 56.592 23.177 1.00 0.00 C ATOM 228 OG1 THR A 14 42.449 57.073 24.438 1.00 0.00 O ATOM 229 CG2 THR A 14 40.523 56.463 23.231 1.00 0.00 C ATOM 0 H THR A 14 44.568 56.076 22.354 1.00 0.00 H new ATOM 0 HA THR A 14 42.373 54.539 23.601 1.00 0.00 H new ATOM 0 HB THR A 14 42.325 57.269 22.370 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.002 57.925 24.623 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.083 57.436 23.451 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.154 56.107 22.269 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.245 55.754 24.011 1.00 0.00 H new ATOM 237 N LEU A 15 41.456 53.799 21.384 1.00 0.00 N ATOM 238 CA LEU A 15 40.989 53.224 20.139 1.00 0.00 C ATOM 239 C LEU A 15 39.462 53.176 20.067 1.00 0.00 C ATOM 240 O LEU A 15 38.800 52.945 21.077 1.00 0.00 O ATOM 241 CB LEU A 15 41.565 51.824 19.947 1.00 0.00 C ATOM 242 CG LEU A 15 43.080 51.720 19.807 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.495 50.251 19.794 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.601 52.357 18.523 1.00 0.00 C ATOM 0 H LEU A 15 41.002 53.397 22.204 1.00 0.00 H new ATOM 0 HA LEU A 15 41.339 53.871 19.334 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.259 51.211 20.795 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.110 51.388 19.057 1.00 0.00 H new ATOM 0 HG LEU A 15 43.506 52.254 20.657 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.578 50.180 19.694 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.185 49.777 20.725 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.019 49.746 18.954 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.685 52.252 18.479 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.153 51.860 17.663 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.338 53.415 18.509 1.00 0.00 H new ATOM 256 N GLU A 16 38.920 53.314 18.860 1.00 0.00 N ATOM 257 CA GLU A 16 37.521 53.103 18.551 1.00 0.00 C ATOM 258 C GLU A 16 37.341 51.841 17.703 1.00 0.00 C ATOM 259 O GLU A 16 37.950 51.685 16.646 1.00 0.00 O ATOM 260 CB GLU A 16 36.906 54.339 17.899 1.00 0.00 C ATOM 261 CG GLU A 16 36.795 55.504 18.878 1.00 0.00 C ATOM 262 CD GLU A 16 35.936 56.633 18.305 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.727 56.704 18.617 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.472 57.484 17.562 1.00 0.00 O ATOM 0 H GLU A 16 39.469 53.586 18.045 1.00 0.00 H new ATOM 0 HA GLU A 16 36.980 52.944 19.484 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.514 54.639 17.045 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.916 54.092 17.515 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.361 55.154 19.815 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.790 55.883 19.109 1.00 0.00 H new ATOM 271 N VAL A 17 36.537 50.919 18.221 1.00 0.00 N ATOM 272 CA VAL A 17 36.399 49.536 17.808 1.00 0.00 C ATOM 273 C VAL A 17 34.956 49.052 17.961 1.00 0.00 C ATOM 274 O VAL A 17 34.149 49.691 18.633 1.00 0.00 O ATOM 275 CB VAL A 17 37.333 48.643 18.620 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.794 48.832 18.223 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.211 48.856 20.126 1.00 0.00 C ATOM 0 H VAL A 17 35.919 51.141 19.001 1.00 0.00 H new ATOM 0 HA VAL A 17 36.670 49.476 16.754 1.00 0.00 H new ATOM 0 HB VAL A 17 37.015 47.627 18.387 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.423 48.177 18.826 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.919 48.585 17.169 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.085 49.869 18.390 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.901 48.191 20.645 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.453 49.891 20.368 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.191 48.639 20.443 1.00 0.00 H new ATOM 287 N GLU A 18 34.612 47.905 17.384 1.00 0.00 N ATOM 288 CA GLU A 18 33.354 47.232 17.638 1.00 0.00 C ATOM 289 C GLU A 18 33.503 46.133 18.692 1.00 0.00 C ATOM 290 O GLU A 18 34.551 45.494 18.744 1.00 0.00 O ATOM 291 CB GLU A 18 32.788 46.623 16.358 1.00 0.00 C ATOM 292 CG GLU A 18 32.413 47.645 15.287 1.00 0.00 C ATOM 293 CD GLU A 18 31.447 48.717 15.796 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.663 49.909 15.492 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.477 48.381 16.508 1.00 0.00 O ATOM 0 H GLU A 18 35.210 47.415 16.719 1.00 0.00 H new ATOM 0 HA GLU A 18 32.665 47.988 18.014 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.522 45.932 15.943 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.904 46.036 16.609 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.319 48.126 14.918 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.960 47.127 14.441 1.00 0.00 H new ATOM 302 N PRO A 19 32.468 45.788 19.454 1.00 0.00 N ATOM 303 CA PRO A 19 32.474 44.609 20.296 1.00 0.00 C ATOM 304 C PRO A 19 32.717 43.303 19.538 1.00 0.00 C ATOM 305 O PRO A 19 33.152 42.311 20.119 1.00 0.00 O ATOM 306 CB PRO A 19 31.117 44.586 20.992 1.00 0.00 C ATOM 307 CG PRO A 19 30.639 46.035 20.935 1.00 0.00 C ATOM 308 CD PRO A 19 31.233 46.529 19.618 1.00 0.00 C ATOM 0 HA PRO A 19 33.306 44.671 20.998 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.421 43.917 20.485 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.203 44.236 22.021 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.551 46.104 20.940 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.999 46.615 21.785 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.552 46.347 18.787 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.419 47.603 19.649 1.00 0.00 H new ATOM 316 N SER A 20 32.450 43.281 18.235 1.00 0.00 N ATOM 317 CA SER A 20 32.730 42.184 17.332 1.00 0.00 C ATOM 318 C SER A 20 34.138 42.191 16.735 1.00 0.00 C ATOM 319 O SER A 20 34.464 41.277 15.981 1.00 0.00 O ATOM 320 CB SER A 20 31.668 42.167 16.237 1.00 0.00 C ATOM 321 OG SER A 20 31.594 43.410 15.574 1.00 0.00 O ATOM 0 H SER A 20 32.010 44.071 17.763 1.00 0.00 H new ATOM 0 HA SER A 20 32.692 41.269 17.923 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.898 41.382 15.517 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.698 41.926 16.672 1.00 0.00 H new ATOM 0 HG SER A 20 30.906 43.368 14.877 1.00 0.00 H new ATOM 327 N ASP A 21 34.990 43.174 17.011 1.00 0.00 N ATOM 328 CA ASP A 21 36.320 43.238 16.438 1.00 0.00 C ATOM 329 C ASP A 21 37.270 42.205 17.046 1.00 0.00 C ATOM 330 O ASP A 21 37.282 41.976 18.254 1.00 0.00 O ATOM 331 CB ASP A 21 36.918 44.639 16.533 1.00 0.00 C ATOM 332 CG ASP A 21 36.400 45.612 15.472 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.851 45.174 14.438 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.659 46.827 15.610 1.00 0.00 O ATOM 0 H ASP A 21 34.772 43.947 17.640 1.00 0.00 H new ATOM 0 HA ASP A 21 36.202 42.993 15.382 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.704 45.048 17.521 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.002 44.566 16.446 1.00 0.00 H new ATOM 339 N THR A 22 38.086 41.603 16.185 1.00 0.00 N ATOM 340 CA THR A 22 39.007 40.530 16.501 1.00 0.00 C ATOM 341 C THR A 22 40.311 41.058 17.103 1.00 0.00 C ATOM 342 O THR A 22 40.834 42.064 16.629 1.00 0.00 O ATOM 343 CB THR A 22 39.262 39.699 15.246 1.00 0.00 C ATOM 344 OG1 THR A 22 38.047 39.152 14.780 1.00 0.00 O ATOM 345 CG2 THR A 22 40.187 38.505 15.457 1.00 0.00 C ATOM 0 H THR A 22 38.120 41.868 15.201 1.00 0.00 H new ATOM 0 HA THR A 22 38.556 39.893 17.262 1.00 0.00 H new ATOM 0 HB THR A 22 39.729 40.393 14.547 1.00 0.00 H new ATOM 0 HG1 THR A 22 38.215 38.621 13.974 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.313 37.971 14.515 1.00 0.00 H new ATOM 0 HG22 THR A 22 41.158 38.854 15.809 1.00 0.00 H new ATOM 0 HG23 THR A 22 39.752 37.835 16.198 1.00 0.00 H new ATOM 353 N ILE A 23 40.882 40.375 18.091 1.00 0.00 N ATOM 354 CA ILE A 23 42.086 40.789 18.784 1.00 0.00 C ATOM 355 C ILE A 23 43.258 41.033 17.832 1.00 0.00 C ATOM 356 O ILE A 23 43.943 42.046 17.952 1.00 0.00 O ATOM 357 CB ILE A 23 42.440 39.772 19.866 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.418 39.714 20.998 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.833 39.986 20.452 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.222 40.992 21.808 1.00 0.00 C ATOM 0 H ILE A 23 40.504 39.493 18.438 1.00 0.00 H new ATOM 0 HA ILE A 23 41.883 41.749 19.259 1.00 0.00 H new ATOM 0 HB ILE A 23 42.426 38.814 19.346 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.455 39.429 20.574 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.713 38.919 21.683 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.026 39.232 21.215 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.578 39.900 19.661 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.891 40.978 20.899 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.472 40.822 22.580 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.165 41.275 22.275 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.889 41.793 21.148 1.00 0.00 H new ATOM 372 N GLU A 24 43.455 40.175 16.835 1.00 0.00 N ATOM 373 CA GLU A 24 44.483 40.340 15.828 1.00 0.00 C ATOM 374 C GLU A 24 44.353 41.617 14.995 1.00 0.00 C ATOM 375 O GLU A 24 45.361 42.165 14.554 1.00 0.00 O ATOM 376 CB GLU A 24 44.489 39.072 14.978 1.00 0.00 C ATOM 377 CG GLU A 24 45.617 39.026 13.950 1.00 0.00 C ATOM 378 CD GLU A 24 45.808 37.631 13.354 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.968 37.176 13.256 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.809 37.009 12.931 1.00 0.00 O ATOM 0 H GLU A 24 42.892 39.334 16.708 1.00 0.00 H new ATOM 0 HA GLU A 24 45.445 40.474 16.322 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.572 38.206 15.634 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.534 38.988 14.460 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.404 39.734 13.149 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.546 39.347 14.420 1.00 0.00 H new ATOM 387 N ASN A 25 43.143 42.146 14.843 1.00 0.00 N ATOM 388 CA ASN A 25 42.887 43.416 14.195 1.00 0.00 C ATOM 389 C ASN A 25 43.121 44.602 15.132 1.00 0.00 C ATOM 390 O ASN A 25 43.686 45.611 14.714 1.00 0.00 O ATOM 391 CB ASN A 25 41.471 43.447 13.625 1.00 0.00 C ATOM 392 CG ASN A 25 41.224 42.453 12.487 1.00 0.00 C ATOM 393 OD1 ASN A 25 42.134 41.872 11.900 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.960 42.241 12.133 1.00 0.00 N ATOM 0 H ASN A 25 42.296 41.687 15.178 1.00 0.00 H new ATOM 0 HA ASN A 25 43.600 43.513 13.376 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.764 43.242 14.429 1.00 0.00 H new ATOM 0 HB3 ASN A 25 41.260 44.454 13.264 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.745 41.595 11.373 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.206 42.724 12.621 1.00 0.00 H new ATOM 401 N VAL A 26 42.783 44.482 16.413 1.00 0.00 N ATOM 402 CA VAL A 26 43.100 45.489 17.406 1.00 0.00 C ATOM 403 C VAL A 26 44.615 45.658 17.536 1.00 0.00 C ATOM 404 O VAL A 26 45.111 46.782 17.569 1.00 0.00 O ATOM 405 CB VAL A 26 42.441 45.174 18.745 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.751 46.235 19.797 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.923 45.101 18.609 1.00 0.00 C ATOM 0 H VAL A 26 42.279 43.678 16.787 1.00 0.00 H new ATOM 0 HA VAL A 26 42.691 46.442 17.071 1.00 0.00 H new ATOM 0 HB VAL A 26 42.846 44.212 19.058 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.262 45.971 20.735 1.00 0.00 H new ATOM 0 HG12 VAL A 26 43.829 46.290 19.952 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.384 47.203 19.456 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.481 44.875 19.579 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.543 46.058 18.251 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.659 44.318 17.899 1.00 0.00 H new ATOM 417 N LYS A 27 45.377 44.569 17.486 1.00 0.00 N ATOM 418 CA LYS A 27 46.822 44.596 17.399 1.00 0.00 C ATOM 419 C LYS A 27 47.322 45.251 16.111 1.00 0.00 C ATOM 420 O LYS A 27 48.301 45.993 16.149 1.00 0.00 O ATOM 421 CB LYS A 27 47.367 43.182 17.583 1.00 0.00 C ATOM 422 CG LYS A 27 47.153 42.651 18.997 1.00 0.00 C ATOM 423 CD LYS A 27 47.467 41.164 19.139 1.00 0.00 C ATOM 424 CE LYS A 27 48.926 40.829 18.838 1.00 0.00 C ATOM 425 NZ LYS A 27 49.167 39.380 18.919 1.00 0.00 N ATOM 0 H LYS A 27 44.992 43.625 17.506 1.00 0.00 H new ATOM 0 HA LYS A 27 47.204 45.224 18.204 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.882 42.514 16.871 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.432 43.174 17.353 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.780 43.215 19.688 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.118 42.826 19.290 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.229 40.844 20.153 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.824 40.597 18.466 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.186 41.188 17.842 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.574 41.348 19.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.976 39.128 18.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.374 39.117 19.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.321 38.869 18.595 1.00 0.00 H new ATOM 439 N ALA A 28 46.646 45.057 14.982 1.00 0.00 N ATOM 440 CA ALA A 28 46.974 45.740 13.748 1.00 0.00 C ATOM 441 C ALA A 28 46.745 47.252 13.801 1.00 0.00 C ATOM 442 O ALA A 28 47.570 48.006 13.289 1.00 0.00 O ATOM 443 CB ALA A 28 46.225 45.074 12.595 1.00 0.00 C ATOM 0 H ALA A 28 45.854 44.419 14.904 1.00 0.00 H new ATOM 0 HA ALA A 28 48.047 45.640 13.584 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.467 45.583 11.662 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.521 44.027 12.525 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.152 45.136 12.774 1.00 0.00 H new ATOM 449 N LYS A 29 45.717 47.725 14.500 1.00 0.00 N ATOM 450 CA LYS A 29 45.529 49.127 14.810 1.00 0.00 C ATOM 451 C LYS A 29 46.657 49.689 15.679 1.00 0.00 C ATOM 452 O LYS A 29 47.060 50.832 15.479 1.00 0.00 O ATOM 453 CB LYS A 29 44.191 49.392 15.494 1.00 0.00 C ATOM 454 CG LYS A 29 42.975 49.238 14.586 1.00 0.00 C ATOM 455 CD LYS A 29 41.703 49.636 15.331 1.00 0.00 C ATOM 456 CE LYS A 29 40.439 49.455 14.495 1.00 0.00 C ATOM 457 NZ LYS A 29 40.320 50.441 13.410 1.00 0.00 N ATOM 0 H LYS A 29 44.979 47.126 14.872 1.00 0.00 H new ATOM 0 HA LYS A 29 45.541 49.640 13.848 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.087 48.710 16.338 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.199 50.403 15.901 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.094 49.860 13.699 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.896 48.206 14.244 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.619 49.039 16.239 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.781 50.678 15.640 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.433 48.452 14.069 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.567 49.531 15.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.443 50.268 12.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 40.297 51.399 13.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 41.136 50.354 12.771 1.00 0.00 H new ATOM 471 N ILE A 30 47.208 48.903 16.600 1.00 0.00 N ATOM 472 CA ILE A 30 48.350 49.283 17.406 1.00 0.00 C ATOM 473 C ILE A 30 49.629 49.347 16.571 1.00 0.00 C ATOM 474 O ILE A 30 50.463 50.213 16.829 1.00 0.00 O ATOM 475 CB ILE A 30 48.463 48.395 18.643 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.271 48.622 19.568 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.759 48.631 19.411 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.130 47.593 20.687 1.00 0.00 C ATOM 0 H ILE A 30 46.861 47.966 16.806 1.00 0.00 H new ATOM 0 HA ILE A 30 48.196 50.297 17.776 1.00 0.00 H new ATOM 0 HB ILE A 30 48.469 47.363 18.293 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.357 49.613 20.013 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.359 48.618 18.971 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.791 47.976 20.281 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.610 48.416 18.764 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.804 49.670 19.737 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.257 47.833 21.294 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.010 46.600 20.255 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.023 47.611 21.312 1.00 0.00 H new ATOM 490 N GLN A 31 49.793 48.548 15.521 1.00 0.00 N ATOM 491 CA GLN A 31 50.902 48.711 14.602 1.00 0.00 C ATOM 492 C GLN A 31 50.786 50.015 13.811 1.00 0.00 C ATOM 493 O GLN A 31 51.761 50.760 13.732 1.00 0.00 O ATOM 494 CB GLN A 31 51.029 47.515 13.664 1.00 0.00 C ATOM 495 CG GLN A 31 52.316 47.607 12.850 1.00 0.00 C ATOM 496 CD GLN A 31 52.600 46.417 11.929 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.866 45.436 11.841 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.717 46.451 11.208 1.00 0.00 N ATOM 0 H GLN A 31 49.165 47.778 15.289 1.00 0.00 H new ATOM 0 HA GLN A 31 51.812 48.764 15.200 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.023 46.591 14.241 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.170 47.478 12.994 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.278 48.512 12.244 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.154 47.719 13.538 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.339 47.257 11.268 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.952 45.671 10.595 1.00 0.00 H new ATOM 507 N ASP A 32 49.604 50.310 13.278 1.00 0.00 N ATOM 508 CA ASP A 32 49.282 51.537 12.577 1.00 0.00 C ATOM 509 C ASP A 32 49.544 52.780 13.431 1.00 0.00 C ATOM 510 O ASP A 32 50.140 53.747 12.963 1.00 0.00 O ATOM 511 CB ASP A 32 47.822 51.419 12.155 1.00 0.00 C ATOM 512 CG ASP A 32 47.246 52.632 11.422 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.979 52.532 10.205 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.960 53.653 12.085 1.00 0.00 O ATOM 0 H ASP A 32 48.813 49.668 13.328 1.00 0.00 H new ATOM 0 HA ASP A 32 49.925 51.664 11.706 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.718 50.545 11.512 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.219 51.234 13.044 1.00 0.00 H new ATOM 519 N LYS A 33 49.151 52.739 14.700 1.00 0.00 N ATOM 520 CA LYS A 33 49.195 53.871 15.603 1.00 0.00 C ATOM 521 C LYS A 33 50.524 54.050 16.339 1.00 0.00 C ATOM 522 O LYS A 33 50.927 55.193 16.541 1.00 0.00 O ATOM 523 CB LYS A 33 47.996 53.774 16.542 1.00 0.00 C ATOM 524 CG LYS A 33 47.653 55.106 17.204 1.00 0.00 C ATOM 525 CD LYS A 33 46.214 55.105 17.710 1.00 0.00 C ATOM 526 CE LYS A 33 45.857 56.489 18.245 1.00 0.00 C ATOM 527 NZ LYS A 33 44.419 56.616 18.530 1.00 0.00 N ATOM 0 H LYS A 33 48.784 51.892 15.135 1.00 0.00 H new ATOM 0 HA LYS A 33 49.129 54.783 15.010 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.131 53.418 15.983 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.204 53.033 17.314 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.335 55.291 18.034 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.792 55.918 16.490 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.535 54.830 16.903 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.095 54.359 18.496 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.425 56.684 19.154 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.151 57.246 17.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.203 57.598 18.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.873 56.357 17.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.163 55.983 19.314 1.00 0.00 H new ATOM 541 N GLU A 34 51.215 52.980 16.724 1.00 0.00 N ATOM 542 CA GLU A 34 52.368 53.028 17.601 1.00 0.00 C ATOM 543 C GLU A 34 53.636 52.359 17.067 1.00 0.00 C ATOM 544 O GLU A 34 54.704 52.540 17.648 1.00 0.00 O ATOM 545 CB GLU A 34 52.005 52.450 18.965 1.00 0.00 C ATOM 546 CG GLU A 34 50.901 53.176 19.730 1.00 0.00 C ATOM 547 CD GLU A 34 51.277 54.572 20.228 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.405 54.786 20.724 1.00 0.00 O ATOM 549 OE2 GLU A 34 50.437 55.497 20.176 1.00 0.00 O ATOM 0 H GLU A 34 50.978 52.035 16.424 1.00 0.00 H new ATOM 0 HA GLU A 34 52.623 54.085 17.675 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.702 51.412 18.828 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.902 52.441 19.584 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.026 53.259 19.085 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.610 52.567 20.586 1.00 0.00 H new ATOM 556 N GLY A 35 53.580 51.598 15.977 1.00 0.00 N ATOM 557 CA GLY A 35 54.760 51.053 15.337 1.00 0.00 C ATOM 558 C GLY A 35 55.365 49.799 15.970 1.00 0.00 C ATOM 559 O GLY A 35 56.588 49.669 16.010 1.00 0.00 O ATOM 0 H GLY A 35 52.707 51.344 15.515 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.511 50.825 14.301 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.526 51.828 15.318 1.00 0.00 H new ATOM 563 N ILE A 36 54.540 48.876 16.456 1.00 0.00 N ATOM 564 CA ILE A 36 54.936 47.568 16.938 1.00 0.00 C ATOM 565 C ILE A 36 54.230 46.485 16.119 1.00 0.00 C ATOM 566 O ILE A 36 53.002 46.503 16.082 1.00 0.00 O ATOM 567 CB ILE A 36 54.626 47.385 18.421 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.083 48.534 19.312 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.264 46.097 18.931 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.972 49.543 19.590 1.00 0.00 C ATOM 0 H ILE A 36 53.534 49.032 16.525 1.00 0.00 H new ATOM 0 HA ILE A 36 56.016 47.482 16.818 1.00 0.00 H new ATOM 0 HB ILE A 36 53.538 47.350 18.483 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.448 48.132 20.257 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.921 49.044 18.838 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.038 45.974 19.990 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.866 45.249 18.374 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.344 46.147 18.794 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.355 50.339 20.229 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.624 49.969 18.649 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.143 49.043 20.091 1.00 0.00 H new ATOM 582 N PRO A 37 54.918 45.521 15.513 1.00 0.00 N ATOM 583 CA PRO A 37 54.282 44.405 14.844 1.00 0.00 C ATOM 584 C PRO A 37 53.457 43.524 15.785 1.00 0.00 C ATOM 585 O PRO A 37 53.941 43.223 16.875 1.00 0.00 O ATOM 586 CB PRO A 37 55.413 43.613 14.196 1.00 0.00 C ATOM 587 CG PRO A 37 56.501 44.662 13.987 1.00 0.00 C ATOM 588 CD PRO A 37 56.340 45.527 15.234 1.00 0.00 C ATOM 0 HA PRO A 37 53.561 44.769 14.112 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.755 42.801 14.838 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.101 43.164 13.253 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.493 44.216 13.924 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.349 45.232 13.071 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.908 45.122 16.071 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.704 46.540 15.062 1.00 0.00 H new ATOM 596 N PRO A 38 52.276 43.043 15.410 1.00 0.00 N ATOM 597 CA PRO A 38 51.478 42.123 16.195 1.00 0.00 C ATOM 598 C PRO A 38 52.206 40.866 16.674 1.00 0.00 C ATOM 599 O PRO A 38 51.903 40.382 17.763 1.00 0.00 O ATOM 600 CB PRO A 38 50.290 41.762 15.307 1.00 0.00 C ATOM 601 CG PRO A 38 50.058 43.058 14.537 1.00 0.00 C ATOM 602 CD PRO A 38 51.498 43.489 14.273 1.00 0.00 C ATOM 0 HA PRO A 38 51.192 42.610 17.127 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.517 40.929 14.642 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.417 41.474 15.892 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.498 42.898 13.616 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.506 43.794 15.122 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.872 43.047 13.350 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.564 44.571 14.158 1.00 0.00 H new ATOM 610 N ASP A 39 53.212 40.401 15.938 1.00 0.00 N ATOM 611 CA ASP A 39 54.106 39.322 16.309 1.00 0.00 C ATOM 612 C ASP A 39 54.858 39.588 17.614 1.00 0.00 C ATOM 613 O ASP A 39 55.113 38.659 18.377 1.00 0.00 O ATOM 614 CB ASP A 39 55.058 39.111 15.135 1.00 0.00 C ATOM 615 CG ASP A 39 56.155 38.060 15.324 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.283 38.310 14.845 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.900 36.959 15.856 1.00 0.00 O ATOM 0 H ASP A 39 53.432 40.790 15.021 1.00 0.00 H new ATOM 0 HA ASP A 39 53.529 38.419 16.508 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.467 38.834 14.262 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.535 40.064 14.907 1.00 0.00 H new ATOM 622 N GLN A 40 55.168 40.846 17.914 1.00 0.00 N ATOM 623 CA GLN A 40 55.881 41.283 19.097 1.00 0.00 C ATOM 624 C GLN A 40 54.954 41.784 20.207 1.00 0.00 C ATOM 625 O GLN A 40 55.368 41.868 21.361 1.00 0.00 O ATOM 626 CB GLN A 40 56.883 42.359 18.692 1.00 0.00 C ATOM 627 CG GLN A 40 57.934 41.877 17.697 1.00 0.00 C ATOM 628 CD GLN A 40 58.809 43.015 17.168 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.195 43.940 17.879 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.131 43.004 15.878 1.00 0.00 N ATOM 0 H GLN A 40 54.913 41.623 17.304 1.00 0.00 H new ATOM 0 HA GLN A 40 56.400 40.422 19.517 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.343 43.200 18.257 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.385 42.730 19.586 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.567 41.130 18.176 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.438 41.386 16.860 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.815 42.240 15.280 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.694 43.759 15.486 1.00 0.00 H new ATOM 639 N GLN A 41 53.702 42.101 19.891 1.00 0.00 N ATOM 640 CA GLN A 41 52.706 42.540 20.848 1.00 0.00 C ATOM 641 C GLN A 41 52.040 41.367 21.569 1.00 0.00 C ATOM 642 O GLN A 41 51.602 40.416 20.925 1.00 0.00 O ATOM 643 CB GLN A 41 51.583 43.306 20.155 1.00 0.00 C ATOM 644 CG GLN A 41 51.922 44.613 19.446 1.00 0.00 C ATOM 645 CD GLN A 41 50.668 45.164 18.764 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.554 45.068 19.273 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.760 45.730 17.564 1.00 0.00 N ATOM 0 H GLN A 41 53.348 42.057 18.935 1.00 0.00 H new ATOM 0 HA GLN A 41 53.242 43.168 21.560 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.131 42.639 19.421 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.820 43.523 20.902 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.308 45.338 20.162 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.707 44.446 18.708 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.670 45.825 17.113 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.920 46.069 17.094 1.00 0.00 H new ATOM 656 N ARG A 42 51.842 41.477 22.880 1.00 0.00 N ATOM 657 CA ARG A 42 50.882 40.697 23.635 1.00 0.00 C ATOM 658 C ARG A 42 49.955 41.639 24.408 1.00 0.00 C ATOM 659 O ARG A 42 50.383 42.712 24.826 1.00 0.00 O ATOM 660 CB ARG A 42 51.582 39.682 24.535 1.00 0.00 C ATOM 661 CG ARG A 42 52.445 38.672 23.782 1.00 0.00 C ATOM 662 CD ARG A 42 51.667 37.732 22.866 1.00 0.00 C ATOM 663 NE ARG A 42 52.569 36.835 22.144 1.00 0.00 N ATOM 664 CZ ARG A 42 53.061 36.967 20.905 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.853 38.037 20.124 1.00 0.00 N ATOM 666 NH2 ARG A 42 53.822 35.992 20.389 1.00 0.00 N ATOM 0 H ARG A 42 52.365 42.134 23.459 1.00 0.00 H new ATOM 0 HA ARG A 42 50.266 40.114 22.950 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.208 40.217 25.250 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.829 39.143 25.111 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.179 39.214 23.186 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.000 38.076 24.507 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.961 37.146 23.455 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.082 38.314 22.154 1.00 0.00 H new ATOM 0 HE ARG A 42 52.862 35.999 22.650 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.290 38.816 20.465 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.258 38.072 19.189 1.00 0.00 H new ATOM 0 HH21 ARG A 42 54.023 35.157 20.939 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.200 36.085 19.446 1.00 0.00 H new ATOM 680 N LEU A 43 48.688 41.265 24.557 1.00 0.00 N ATOM 681 CA LEU A 43 47.629 42.132 25.034 1.00 0.00 C ATOM 682 C LEU A 43 46.943 41.517 26.255 1.00 0.00 C ATOM 683 O LEU A 43 46.541 40.357 26.231 1.00 0.00 O ATOM 684 CB LEU A 43 46.673 42.400 23.874 1.00 0.00 C ATOM 685 CG LEU A 43 45.551 43.388 24.173 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.060 44.781 24.532 1.00 0.00 C ATOM 687 CD2 LEU A 43 44.663 43.522 22.939 1.00 0.00 C ATOM 0 H LEU A 43 48.366 40.322 24.341 1.00 0.00 H new ATOM 0 HA LEU A 43 48.028 43.089 25.371 1.00 0.00 H new ATOM 0 HB2 LEU A 43 47.249 42.774 23.028 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.229 41.454 23.564 1.00 0.00 H new ATOM 0 HG LEU A 43 45.007 42.994 25.032 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.213 45.437 24.734 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.691 44.720 25.419 1.00 0.00 H new ATOM 0 HD13 LEU A 43 46.640 45.182 23.701 1.00 0.00 H new ATOM 0 HD21 LEU A 43 43.858 44.227 23.145 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.258 43.885 22.101 1.00 0.00 H new ATOM 0 HD23 LEU A 43 44.239 42.550 22.689 1.00 0.00 H new ATOM 699 N ILE A 44 46.847 42.300 27.325 1.00 0.00 N ATOM 700 CA ILE A 44 46.407 41.874 28.638 1.00 0.00 C ATOM 701 C ILE A 44 45.143 42.628 29.054 1.00 0.00 C ATOM 702 O ILE A 44 45.082 43.851 28.942 1.00 0.00 O ATOM 703 CB ILE A 44 47.513 42.075 29.670 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.919 41.669 29.239 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.154 41.386 30.984 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.120 40.200 28.879 1.00 0.00 C ATOM 0 H ILE A 44 47.086 43.291 27.293 1.00 0.00 H new ATOM 0 HA ILE A 44 46.173 40.810 28.589 1.00 0.00 H new ATOM 0 HB ILE A 44 47.562 43.157 29.795 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.200 42.274 28.377 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.609 41.921 30.044 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.955 41.541 31.707 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.227 41.807 31.374 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.023 40.318 30.811 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.158 40.035 28.589 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.881 39.578 29.742 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.465 39.936 28.049 1.00 0.00 H new ATOM 718 N PHE A 45 44.154 41.929 29.604 1.00 0.00 N ATOM 719 CA PHE A 45 42.997 42.515 30.252 1.00 0.00 C ATOM 720 C PHE A 45 42.865 41.951 31.668 1.00 0.00 C ATOM 721 O PHE A 45 42.581 40.767 31.833 1.00 0.00 O ATOM 722 CB PHE A 45 41.758 42.258 29.400 1.00 0.00 C ATOM 723 CG PHE A 45 40.463 42.891 29.853 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.431 44.195 30.360 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.263 42.188 29.694 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.213 44.788 30.714 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.042 42.780 30.039 1.00 0.00 C ATOM 728 CZ PHE A 45 38.014 44.084 30.548 1.00 0.00 C ATOM 0 H PHE A 45 44.140 40.909 29.608 1.00 0.00 H new ATOM 0 HA PHE A 45 43.112 43.595 30.344 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.967 42.604 28.388 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.605 41.180 29.343 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.351 44.747 30.479 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.279 41.182 29.302 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.198 45.790 31.116 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.121 42.230 29.912 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.073 44.544 30.811 1.00 0.00 H new ATOM 738 N ALA A 46 43.109 42.766 32.690 1.00 0.00 N ATOM 739 CA ALA A 46 43.141 42.362 34.082 1.00 0.00 C ATOM 740 C ALA A 46 43.958 41.090 34.319 1.00 0.00 C ATOM 741 O ALA A 46 43.444 40.062 34.755 1.00 0.00 O ATOM 742 CB ALA A 46 41.715 42.331 34.624 1.00 0.00 C ATOM 0 H ALA A 46 43.296 43.760 32.561 1.00 0.00 H new ATOM 0 HA ALA A 46 43.688 43.103 34.664 1.00 0.00 H new ATOM 0 HB1 ALA A 46 41.730 42.028 35.671 1.00 0.00 H new ATOM 0 HB2 ALA A 46 41.272 43.323 34.540 1.00 0.00 H new ATOM 0 HB3 ALA A 46 41.123 41.619 34.049 1.00 0.00 H new ATOM 748 N GLY A 47 45.228 41.112 33.925 1.00 0.00 N ATOM 749 CA GLY A 47 46.146 39.992 33.995 1.00 0.00 C ATOM 750 C GLY A 47 45.919 38.835 33.020 1.00 0.00 C ATOM 751 O GLY A 47 46.847 38.057 32.815 1.00 0.00 O ATOM 0 H GLY A 47 45.659 41.949 33.532 1.00 0.00 H new ATOM 0 HA2 GLY A 47 47.155 40.373 33.837 1.00 0.00 H new ATOM 0 HA3 GLY A 47 46.112 39.591 35.008 1.00 0.00 H new ATOM 755 N LYS A 48 44.766 38.720 32.366 1.00 0.00 N ATOM 756 CA LYS A 48 44.471 37.688 31.392 1.00 0.00 C ATOM 757 C LYS A 48 45.114 38.034 30.048 1.00 0.00 C ATOM 758 O LYS A 48 44.770 39.062 29.468 1.00 0.00 O ATOM 759 CB LYS A 48 42.958 37.539 31.265 1.00 0.00 C ATOM 760 CG LYS A 48 42.480 36.426 30.337 1.00 0.00 C ATOM 761 CD LYS A 48 40.969 36.456 30.126 1.00 0.00 C ATOM 762 CE LYS A 48 40.203 36.205 31.423 1.00 0.00 C ATOM 763 NZ LYS A 48 38.745 36.296 31.248 1.00 0.00 N ATOM 0 H LYS A 48 43.990 39.367 32.508 1.00 0.00 H new ATOM 0 HA LYS A 48 44.888 36.736 31.720 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.544 37.363 32.258 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.546 38.484 30.911 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.981 36.519 29.373 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.767 35.461 30.753 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.680 37.424 29.716 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.691 35.702 29.390 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.458 35.217 31.805 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.521 36.929 32.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.274 36.117 32.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.495 37.247 30.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.434 35.588 30.553 1.00 0.00 H new ATOM 777 N GLN A 49 45.997 37.183 29.534 1.00 0.00 N ATOM 778 CA GLN A 49 46.591 37.356 28.224 1.00 0.00 C ATOM 779 C GLN A 49 45.672 36.798 27.136 1.00 0.00 C ATOM 780 O GLN A 49 45.251 35.646 27.205 1.00 0.00 O ATOM 781 CB GLN A 49 47.988 36.743 28.181 1.00 0.00 C ATOM 782 CG GLN A 49 48.712 37.078 26.881 1.00 0.00 C ATOM 783 CD GLN A 49 50.132 36.510 26.830 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.410 35.561 26.100 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.089 37.054 27.577 1.00 0.00 N ATOM 0 H GLN A 49 46.319 36.348 30.024 1.00 0.00 H new ATOM 0 HA GLN A 49 46.706 38.422 28.026 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.571 37.107 29.027 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.914 35.661 28.288 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.139 36.687 26.040 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.754 38.161 26.762 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.873 37.842 28.188 1.00 0.00 H new ATOM 0 HE22 GLN A 49 52.038 36.683 27.539 1.00 0.00 H new ATOM 794 N LEU A 50 45.366 37.613 26.129 1.00 0.00 N ATOM 795 CA LEU A 50 44.341 37.337 25.143 1.00 0.00 C ATOM 796 C LEU A 50 44.852 36.542 23.939 1.00 0.00 C ATOM 797 O LEU A 50 46.048 36.507 23.661 1.00 0.00 O ATOM 798 CB LEU A 50 43.664 38.646 24.746 1.00 0.00 C ATOM 799 CG LEU A 50 43.196 39.538 25.892 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.438 40.741 25.337 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.308 38.835 26.914 1.00 0.00 C ATOM 0 H LEU A 50 45.840 38.504 25.978 1.00 0.00 H new ATOM 0 HA LEU A 50 43.599 36.681 25.598 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.358 39.217 24.129 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.802 38.410 24.122 1.00 0.00 H new ATOM 0 HG LEU A 50 44.103 39.840 26.415 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.107 41.374 26.160 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.094 41.313 24.681 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.571 40.396 24.773 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.021 39.541 27.693 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.413 38.457 26.420 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.854 38.004 27.360 1.00 0.00 H new ATOM 813 N GLU A 51 43.938 35.893 23.223 1.00 0.00 N ATOM 814 CA GLU A 51 44.178 35.089 22.042 1.00 0.00 C ATOM 815 C GLU A 51 43.764 35.822 20.765 1.00 0.00 C ATOM 816 O GLU A 51 42.767 36.540 20.749 1.00 0.00 O ATOM 817 CB GLU A 51 43.458 33.749 22.172 1.00 0.00 C ATOM 818 CG GLU A 51 44.069 32.873 23.262 1.00 0.00 C ATOM 819 CD GLU A 51 43.340 31.539 23.440 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.785 31.304 24.536 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.390 30.682 22.532 1.00 0.00 O ATOM 0 H GLU A 51 42.950 35.920 23.473 1.00 0.00 H new ATOM 0 HA GLU A 51 45.249 34.904 21.965 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.405 33.924 22.395 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.499 33.222 21.219 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.114 32.680 23.021 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.055 33.417 24.207 1.00 0.00 H new ATOM 828 N ASP A 52 44.494 35.611 19.673 1.00 0.00 N ATOM 829 CA ASP A 52 44.410 36.412 18.468 1.00 0.00 C ATOM 830 C ASP A 52 43.095 36.282 17.696 1.00 0.00 C ATOM 831 O ASP A 52 42.712 37.201 16.976 1.00 0.00 O ATOM 832 CB ASP A 52 45.585 36.074 17.556 1.00 0.00 C ATOM 833 CG ASP A 52 46.878 36.842 17.836 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.941 36.398 17.350 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.861 37.900 18.500 1.00 0.00 O ATOM 0 H ASP A 52 45.177 34.856 19.606 1.00 0.00 H new ATOM 0 HA ASP A 52 44.447 37.451 18.796 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.792 35.007 17.639 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.287 36.262 16.524 1.00 0.00 H new ATOM 840 N GLY A 53 42.390 35.160 17.815 1.00 0.00 N ATOM 841 CA GLY A 53 41.183 34.863 17.072 1.00 0.00 C ATOM 842 C GLY A 53 39.863 35.295 17.712 1.00 0.00 C ATOM 843 O GLY A 53 38.853 35.317 17.013 1.00 0.00 O ATOM 0 H GLY A 53 42.658 34.412 18.454 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.259 35.338 16.094 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.143 33.787 16.902 1.00 0.00 H new ATOM 847 N ARG A 54 39.858 35.640 18.998 1.00 0.00 N ATOM 848 CA ARG A 54 38.673 36.043 19.729 1.00 0.00 C ATOM 849 C ARG A 54 38.260 37.480 19.411 1.00 0.00 C ATOM 850 O ARG A 54 39.068 38.243 18.885 1.00 0.00 O ATOM 851 CB ARG A 54 38.888 35.858 21.228 1.00 0.00 C ATOM 852 CG ARG A 54 39.231 34.443 21.685 1.00 0.00 C ATOM 853 CD ARG A 54 38.196 33.401 21.272 1.00 0.00 C ATOM 854 NE ARG A 54 38.456 32.130 21.950 1.00 0.00 N ATOM 855 CZ ARG A 54 38.198 30.891 21.510 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.609 30.640 20.332 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.552 29.849 22.273 1.00 0.00 N ATOM 0 H ARG A 54 40.703 35.645 19.569 1.00 0.00 H new ATOM 0 HA ARG A 54 37.854 35.400 19.407 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.690 36.525 21.545 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.984 36.177 21.747 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.201 34.162 21.274 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.330 34.435 22.770 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.195 33.755 21.519 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.225 33.257 20.192 1.00 0.00 H new ATOM 0 HE ARG A 54 38.887 32.196 22.872 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.335 31.412 19.724 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.435 29.677 20.044 1.00 0.00 H new ATOM 0 HH21 ARG A 54 39.009 30.007 23.171 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.364 28.898 21.956 1.00 0.00 H new ATOM 871 N THR A 55 37.040 37.868 19.771 1.00 0.00 N ATOM 872 CA THR A 55 36.555 39.231 19.682 1.00 0.00 C ATOM 873 C THR A 55 36.429 39.901 21.051 1.00 0.00 C ATOM 874 O THR A 55 36.368 39.226 22.077 1.00 0.00 O ATOM 875 CB THR A 55 35.252 39.368 18.899 1.00 0.00 C ATOM 876 OG1 THR A 55 34.141 38.856 19.600 1.00 0.00 O ATOM 877 CG2 THR A 55 35.302 38.673 17.541 1.00 0.00 C ATOM 0 H THR A 55 36.346 37.220 20.143 1.00 0.00 H new ATOM 0 HA THR A 55 37.323 39.758 19.116 1.00 0.00 H new ATOM 0 HB THR A 55 35.136 40.442 18.756 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.271 37.899 19.765 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.348 38.804 17.030 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.099 39.108 16.939 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.494 37.610 17.683 1.00 0.00 H new ATOM 885 N LEU A 56 36.385 41.229 21.083 1.00 0.00 N ATOM 886 CA LEU A 56 36.319 42.005 22.305 1.00 0.00 C ATOM 887 C LEU A 56 35.152 41.615 23.215 1.00 0.00 C ATOM 888 O LEU A 56 35.333 41.504 24.424 1.00 0.00 O ATOM 889 CB LEU A 56 36.280 43.490 21.953 1.00 0.00 C ATOM 890 CG LEU A 56 37.541 44.032 21.288 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.366 45.517 20.978 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.787 43.912 22.161 1.00 0.00 C ATOM 0 H LEU A 56 36.395 41.803 20.240 1.00 0.00 H new ATOM 0 HA LEU A 56 37.216 41.785 22.884 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.433 43.668 21.290 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.096 44.059 22.865 1.00 0.00 H new ATOM 0 HG LEU A 56 37.680 43.431 20.389 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.270 45.899 20.503 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.519 45.651 20.306 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.184 46.063 21.904 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.646 44.316 21.626 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.639 44.471 23.085 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.967 42.863 22.396 1.00 0.00 H new ATOM 904 N SER A 57 33.983 41.328 22.650 1.00 0.00 N ATOM 905 CA SER A 57 32.813 40.846 23.358 1.00 0.00 C ATOM 906 C SER A 57 32.973 39.451 23.964 1.00 0.00 C ATOM 907 O SER A 57 32.391 39.202 25.017 1.00 0.00 O ATOM 908 CB SER A 57 31.587 40.851 22.449 1.00 0.00 C ATOM 909 OG SER A 57 31.805 40.075 21.293 1.00 0.00 O ATOM 0 H SER A 57 33.824 41.431 21.648 1.00 0.00 H new ATOM 0 HA SER A 57 32.682 41.541 24.187 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.726 40.463 22.993 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.348 41.875 22.163 1.00 0.00 H new ATOM 0 HG SER A 57 32.306 40.601 20.636 1.00 0.00 H new ATOM 915 N ASP A 58 33.774 38.564 23.380 1.00 0.00 N ATOM 916 CA ASP A 58 34.037 37.249 23.931 1.00 0.00 C ATOM 917 C ASP A 58 34.842 37.320 25.232 1.00 0.00 C ATOM 918 O ASP A 58 34.759 36.408 26.050 1.00 0.00 O ATOM 919 CB ASP A 58 34.783 36.368 22.933 1.00 0.00 C ATOM 920 CG ASP A 58 34.055 36.187 21.599 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.890 35.735 21.586 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.655 36.484 20.544 1.00 0.00 O ATOM 0 H ASP A 58 34.261 38.745 22.502 1.00 0.00 H new ATOM 0 HA ASP A 58 33.063 36.809 24.147 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.765 36.802 22.744 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.948 35.388 23.381 1.00 0.00 H new ATOM 927 N TYR A 59 35.571 38.412 25.441 1.00 0.00 N ATOM 928 CA TYR A 59 36.283 38.734 26.660 1.00 0.00 C ATOM 929 C TYR A 59 35.580 39.780 27.528 1.00 0.00 C ATOM 930 O TYR A 59 36.138 40.162 28.555 1.00 0.00 O ATOM 931 CB TYR A 59 37.704 39.173 26.315 1.00 0.00 C ATOM 932 CG TYR A 59 38.621 38.083 25.815 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.885 36.973 26.626 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.271 38.225 24.583 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.799 35.996 26.211 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.210 37.271 24.174 1.00 0.00 C ATOM 937 CZ TYR A 59 40.471 36.147 24.983 1.00 0.00 C ATOM 938 OH TYR A 59 41.402 35.230 24.589 1.00 0.00 O ATOM 0 H TYR A 59 35.683 39.129 24.724 1.00 0.00 H new ATOM 0 HA TYR A 59 36.308 37.828 27.266 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.650 39.954 25.556 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.152 39.621 27.202 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.382 36.869 27.576 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.048 39.070 23.949 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.987 35.131 26.830 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.735 37.396 23.238 1.00 0.00 H new ATOM 0 HH TYR A 59 40.950 34.445 24.215 1.00 0.00 H new ATOM 948 N ASN A 60 34.388 40.248 27.171 1.00 0.00 N ATOM 949 CA ASN A 60 33.677 41.307 27.859 1.00 0.00 C ATOM 950 C ASN A 60 34.477 42.598 28.037 1.00 0.00 C ATOM 951 O ASN A 60 34.368 43.284 29.050 1.00 0.00 O ATOM 952 CB ASN A 60 33.024 40.773 29.132 1.00 0.00 C ATOM 953 CG ASN A 60 31.887 39.803 28.804 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.954 40.140 28.077 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.937 38.567 29.292 1.00 0.00 N ATOM 0 H ASN A 60 33.878 39.884 26.366 1.00 0.00 H new ATOM 0 HA ASN A 60 32.869 41.633 27.204 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.772 40.268 29.743 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.638 41.604 29.722 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.202 37.898 29.063 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.711 38.288 29.895 1.00 0.00 H new ATOM 962 N ILE A 61 35.256 42.962 27.023 1.00 0.00 N ATOM 963 CA ILE A 61 35.883 44.265 26.927 1.00 0.00 C ATOM 964 C ILE A 61 34.812 45.261 26.476 1.00 0.00 C ATOM 965 O ILE A 61 34.104 45.012 25.504 1.00 0.00 O ATOM 966 CB ILE A 61 37.092 44.202 25.999 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.170 43.286 26.570 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.661 45.597 25.757 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.115 42.736 25.507 1.00 0.00 C ATOM 0 H ILE A 61 35.469 42.348 26.237 1.00 0.00 H new ATOM 0 HA ILE A 61 36.274 44.598 27.889 1.00 0.00 H new ATOM 0 HB ILE A 61 36.760 43.791 25.046 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.749 43.835 27.312 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.694 42.454 27.089 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.522 45.528 25.093 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.898 46.227 25.299 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.969 46.034 26.707 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.858 42.092 25.978 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.546 42.160 24.777 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.618 43.562 25.004 1.00 0.00 H new ATOM 981 N GLN A 62 34.668 46.358 27.215 1.00 0.00 N ATOM 982 CA GLN A 62 33.560 47.288 27.127 1.00 0.00 C ATOM 983 C GLN A 62 34.011 48.744 26.998 1.00 0.00 C ATOM 984 O GLN A 62 35.201 49.049 27.032 1.00 0.00 O ATOM 985 CB GLN A 62 32.650 47.058 28.330 1.00 0.00 C ATOM 986 CG GLN A 62 31.768 45.822 28.188 1.00 0.00 C ATOM 987 CD GLN A 62 30.639 45.752 29.220 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.362 46.685 29.971 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.900 44.648 29.270 1.00 0.00 N ATOM 0 H GLN A 62 35.353 46.629 27.920 1.00 0.00 H new ATOM 0 HA GLN A 62 33.004 47.097 26.209 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.262 46.959 29.227 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.017 47.934 28.471 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.336 45.808 27.188 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.389 44.931 28.280 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.114 43.863 28.655 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.119 44.586 29.923 1.00 0.00 H new ATOM 998 N LYS A 63 33.070 49.672 26.849 1.00 0.00 N ATOM 999 CA LYS A 63 33.294 51.103 26.813 1.00 0.00 C ATOM 1000 C LYS A 63 34.082 51.557 28.044 1.00 0.00 C ATOM 1001 O LYS A 63 33.620 51.396 29.171 1.00 0.00 O ATOM 1002 CB LYS A 63 31.945 51.808 26.703 1.00 0.00 C ATOM 1003 CG LYS A 63 31.937 53.330 26.812 1.00 0.00 C ATOM 1004 CD LYS A 63 32.772 54.065 25.767 1.00 0.00 C ATOM 1005 CE LYS A 63 32.424 55.545 25.628 1.00 0.00 C ATOM 1006 NZ LYS A 63 32.543 56.337 26.863 1.00 0.00 N ATOM 0 H LYS A 63 32.085 49.428 26.746 1.00 0.00 H new ATOM 0 HA LYS A 63 33.896 51.366 25.943 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.500 51.537 25.746 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.293 51.411 27.481 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.906 53.677 26.739 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.298 53.608 27.802 1.00 0.00 H new ATOM 0 HD2 LYS A 63 33.826 53.972 26.028 1.00 0.00 H new ATOM 0 HD3 LYS A 63 32.639 53.578 24.801 1.00 0.00 H new ATOM 0 HE2 LYS A 63 33.073 55.984 24.870 1.00 0.00 H new ATOM 0 HE3 LYS A 63 31.402 55.628 25.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 32.238 57.314 26.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 31.942 55.920 27.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 33.533 56.337 27.181 1.00 0.00 H new ATOM 1020 N GLU A 64 35.259 52.140 27.831 1.00 0.00 N ATOM 1021 CA GLU A 64 36.190 52.553 28.860 1.00 0.00 C ATOM 1022 C GLU A 64 36.691 51.413 29.749 1.00 0.00 C ATOM 1023 O GLU A 64 36.942 51.580 30.940 1.00 0.00 O ATOM 1024 CB GLU A 64 35.683 53.763 29.641 1.00 0.00 C ATOM 1025 CG GLU A 64 35.362 54.946 28.732 1.00 0.00 C ATOM 1026 CD GLU A 64 34.811 56.170 29.468 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.430 57.117 28.747 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.737 56.185 30.715 1.00 0.00 O ATOM 0 H GLU A 64 35.599 52.344 26.891 1.00 0.00 H new ATOM 0 HA GLU A 64 37.085 52.882 28.332 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.790 53.484 30.199 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.435 54.062 30.371 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.266 55.234 28.196 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.636 54.628 27.984 1.00 0.00 H new ATOM 1035 N SER A 65 36.877 50.235 29.160 1.00 0.00 N ATOM 1036 CA SER A 65 37.794 49.234 29.668 1.00 0.00 C ATOM 1037 C SER A 65 39.239 49.658 29.402 1.00 0.00 C ATOM 1038 O SER A 65 39.536 50.228 28.354 1.00 0.00 O ATOM 1039 CB SER A 65 37.520 47.882 29.015 1.00 0.00 C ATOM 1040 OG SER A 65 36.332 47.304 29.509 1.00 0.00 O ATOM 0 H SER A 65 36.389 49.952 28.310 1.00 0.00 H new ATOM 0 HA SER A 65 37.644 49.141 30.744 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.444 48.007 27.935 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.358 47.210 29.200 1.00 0.00 H new ATOM 0 HG SER A 65 36.406 46.327 29.478 1.00 0.00 H new ATOM 1046 N THR A 66 40.143 49.356 30.330 1.00 0.00 N ATOM 1047 CA THR A 66 41.568 49.585 30.204 1.00 0.00 C ATOM 1048 C THR A 66 42.294 48.244 30.084 1.00 0.00 C ATOM 1049 O THR A 66 42.173 47.379 30.948 1.00 0.00 O ATOM 1050 CB THR A 66 42.132 50.386 31.374 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.583 51.684 31.399 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.640 50.599 31.280 1.00 0.00 C ATOM 0 H THR A 66 39.887 48.930 31.221 1.00 0.00 H new ATOM 0 HA THR A 66 41.730 50.177 29.303 1.00 0.00 H new ATOM 0 HB THR A 66 41.882 49.801 32.259 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.955 52.182 32.157 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.980 51.175 32.141 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.144 49.633 31.268 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.874 51.142 30.364 1.00 0.00 H new ATOM 1060 N LEU A 67 43.090 48.089 29.029 1.00 0.00 N ATOM 1061 CA LEU A 67 43.972 46.964 28.792 1.00 0.00 C ATOM 1062 C LEU A 67 45.431 47.385 28.976 1.00 0.00 C ATOM 1063 O LEU A 67 45.740 48.575 28.984 1.00 0.00 O ATOM 1064 CB LEU A 67 43.709 46.379 27.407 1.00 0.00 C ATOM 1065 CG LEU A 67 42.434 45.545 27.321 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.177 46.371 27.059 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.557 44.533 26.186 1.00 0.00 C ATOM 0 H LEU A 67 43.135 48.783 28.283 1.00 0.00 H new ATOM 0 HA LEU A 67 43.769 46.181 29.523 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.649 47.193 26.685 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.558 45.759 27.118 1.00 0.00 H new ATOM 0 HG LEU A 67 42.329 45.065 28.294 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.311 45.711 27.011 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.040 47.091 27.866 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.281 46.902 26.113 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.645 43.939 26.128 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.708 45.060 25.244 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.406 43.876 26.375 1.00 0.00 H new ATOM 1079 N HIS A 68 46.338 46.421 29.105 1.00 0.00 N ATOM 1080 CA HIS A 68 47.765 46.641 29.230 1.00 0.00 C ATOM 1081 C HIS A 68 48.513 45.992 28.064 1.00 0.00 C ATOM 1082 O HIS A 68 48.236 44.851 27.704 1.00 0.00 O ATOM 1083 CB HIS A 68 48.253 46.150 30.590 1.00 0.00 C ATOM 1084 CG HIS A 68 47.616 46.832 31.769 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.479 46.402 32.455 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.130 47.930 32.409 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.332 47.242 33.483 1.00 0.00 C ATOM 1088 NE2 HIS A 68 47.301 48.172 33.487 1.00 0.00 N ATOM 0 H HIS A 68 46.085 45.433 29.125 1.00 0.00 H new ATOM 0 HA HIS A 68 47.974 47.709 29.179 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.066 45.079 30.663 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.333 46.290 30.646 1.00 0.00 H new ATOM 0 HD2 HIS A 68 49.007 48.493 32.127 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.539 47.181 34.214 1.00 0.00 H new ATOM 0 HE2 HIS A 68 47.406 48.925 34.167 1.00 0.00 H new ATOM 1096 N LEU A 69 49.457 46.717 27.469 1.00 0.00 N ATOM 1097 CA LEU A 69 50.292 46.244 26.383 1.00 0.00 C ATOM 1098 C LEU A 69 51.602 45.663 26.920 1.00 0.00 C ATOM 1099 O LEU A 69 52.253 46.280 27.761 1.00 0.00 O ATOM 1100 CB LEU A 69 50.529 47.384 25.398 1.00 0.00 C ATOM 1101 CG LEU A 69 51.349 47.040 24.158 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.651 46.029 23.252 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.601 48.301 23.337 1.00 0.00 C ATOM 0 H LEU A 69 49.663 47.678 27.742 1.00 0.00 H new ATOM 0 HA LEU A 69 49.786 45.436 25.854 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.560 47.764 25.074 1.00 0.00 H new ATOM 0 HB3 LEU A 69 51.030 48.195 25.926 1.00 0.00 H new ATOM 0 HG LEU A 69 52.281 46.602 24.516 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.280 45.822 22.386 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.477 45.105 23.804 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.697 46.437 22.918 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.187 48.049 22.453 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.648 48.732 23.030 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.148 49.025 23.941 1.00 0.00 H new ATOM 1115 N VAL A 70 52.012 44.508 26.403 1.00 0.00 N ATOM 1116 CA VAL A 70 53.242 43.816 26.726 1.00 0.00 C ATOM 1117 C VAL A 70 54.063 43.590 25.455 1.00 0.00 C ATOM 1118 O VAL A 70 53.522 43.207 24.420 1.00 0.00 O ATOM 1119 CB VAL A 70 52.919 42.504 27.435 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.120 41.578 27.608 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.346 42.769 28.824 1.00 0.00 C ATOM 0 H VAL A 70 51.458 44.007 25.708 1.00 0.00 H new ATOM 0 HA VAL A 70 53.844 44.423 27.402 1.00 0.00 H new ATOM 0 HB VAL A 70 52.196 42.009 26.786 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.807 40.668 28.120 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.526 41.322 26.629 1.00 0.00 H new ATOM 0 HG13 VAL A 70 54.886 42.082 28.198 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.123 41.821 29.312 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.074 43.321 29.419 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.432 43.355 28.735 1.00 0.00 H new ATOM 1131 N LEU A 71 55.374 43.804 25.532 1.00 0.00 N ATOM 1132 CA LEU A 71 56.304 43.531 24.454 1.00 0.00 C ATOM 1133 C LEU A 71 56.985 42.182 24.691 1.00 0.00 C ATOM 1134 O LEU A 71 57.735 42.030 25.653 1.00 0.00 O ATOM 1135 CB LEU A 71 57.305 44.675 24.312 1.00 0.00 C ATOM 1136 CG LEU A 71 56.701 46.036 23.978 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.818 47.068 23.847 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.895 46.040 22.682 1.00 0.00 C ATOM 0 H LEU A 71 55.823 44.181 26.367 1.00 0.00 H new ATOM 0 HA LEU A 71 55.765 43.466 23.509 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.864 44.763 25.243 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.022 44.414 23.533 1.00 0.00 H new ATOM 0 HG LEU A 71 56.019 46.279 24.793 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.388 48.041 23.608 1.00 0.00 H new ATOM 0 HD12 LEU A 71 58.365 47.134 24.788 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.500 46.767 23.051 1.00 0.00 H new ATOM 0 HD21 LEU A 71 55.495 47.038 22.506 1.00 0.00 H new ATOM 0 HD22 LEU A 71 56.541 45.756 21.851 1.00 0.00 H new ATOM 0 HD23 LEU A 71 55.073 45.328 22.762 1.00 0.00 H new ATOM 1150 N ARG A 72 56.719 41.196 23.839 1.00 0.00 N ATOM 1151 CA ARG A 72 57.193 39.834 23.976 1.00 0.00 C ATOM 1152 C ARG A 72 58.106 39.482 22.800 1.00 0.00 C ATOM 1153 O ARG A 72 57.625 39.172 21.711 1.00 0.00 O ATOM 1154 CB ARG A 72 55.997 38.899 24.126 1.00 0.00 C ATOM 1155 CG ARG A 72 56.283 37.597 24.869 1.00 0.00 C ATOM 1156 CD ARG A 72 57.442 36.744 24.359 1.00 0.00 C ATOM 1157 NE ARG A 72 57.277 36.323 22.968 1.00 0.00 N ATOM 1158 CZ ARG A 72 57.711 35.172 22.437 1.00 0.00 C ATOM 1159 NH1 ARG A 72 58.484 34.306 23.107 1.00 0.00 N ATOM 1160 NH2 ARG A 72 57.410 34.846 21.172 1.00 0.00 N ATOM 0 H ARG A 72 56.146 41.335 23.006 1.00 0.00 H new ATOM 0 HA ARG A 72 57.798 39.720 24.876 1.00 0.00 H new ATOM 0 HB2 ARG A 72 55.203 39.431 24.650 1.00 0.00 H new ATOM 0 HB3 ARG A 72 55.618 38.657 23.133 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.476 37.840 25.914 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.379 36.988 24.845 1.00 0.00 H new ATOM 0 HD2 ARG A 72 58.370 37.308 24.454 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.540 35.861 24.990 1.00 0.00 H new ATOM 0 HE ARG A 72 56.786 36.965 22.345 1.00 0.00 H new ATOM 0 HH11 ARG A 72 58.767 34.511 24.065 1.00 0.00 H new ATOM 0 HH12 ARG A 72 58.789 33.442 22.659 1.00 0.00 H new ATOM 0 HH21 ARG A 72 56.845 35.477 20.603 1.00 0.00 H new ATOM 0 HH22 ARG A 72 57.746 33.967 20.778 1.00 0.00 H new ATOM 1174 N LEU A 73 59.415 39.535 23.024 1.00 0.00 N ATOM 1175 CA LEU A 73 60.418 39.282 22.008 1.00 0.00 C ATOM 1176 C LEU A 73 61.015 37.880 22.139 1.00 0.00 C ATOM 1177 O LEU A 73 61.130 37.333 23.233 1.00 0.00 O ATOM 1178 CB LEU A 73 61.502 40.355 22.048 1.00 0.00 C ATOM 1179 CG LEU A 73 61.121 41.803 21.754 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.241 41.955 20.517 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.431 42.520 22.910 1.00 0.00 C ATOM 0 H LEU A 73 59.811 39.760 23.937 1.00 0.00 H new ATOM 0 HA LEU A 73 59.928 39.329 21.035 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.955 40.329 23.039 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.276 40.067 21.336 1.00 0.00 H new ATOM 0 HG LEU A 73 62.089 42.274 21.580 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.007 43.009 20.365 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.770 41.571 19.645 1.00 0.00 H new ATOM 0 HD13 LEU A 73 59.317 41.394 20.657 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.196 43.543 22.615 1.00 0.00 H new ATOM 0 HD22 LEU A 73 59.511 41.995 23.166 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.093 42.535 23.776 1.00 0.00 H new ATOM 1193 N ARG A 74 61.448 37.323 21.011 1.00 0.00 N ATOM 1194 CA ARG A 74 62.282 36.143 20.912 1.00 0.00 C ATOM 1195 C ARG A 74 63.775 36.470 20.977 1.00 0.00 C ATOM 1196 O ARG A 74 64.564 35.620 21.385 1.00 0.00 O ATOM 1197 CB ARG A 74 61.960 35.416 19.609 1.00 0.00 C ATOM 1198 CG ARG A 74 60.540 34.857 19.588 1.00 0.00 C ATOM 1199 CD ARG A 74 60.240 34.092 18.302 1.00 0.00 C ATOM 1200 NE ARG A 74 60.188 34.991 17.150 1.00 0.00 N ATOM 1201 CZ ARG A 74 59.127 35.693 16.728 1.00 0.00 C ATOM 1202 NH1 ARG A 74 57.887 35.508 17.201 1.00 0.00 N ATOM 1203 NH2 ARG A 74 59.289 36.654 15.808 1.00 0.00 N ATOM 0 H ARG A 74 61.210 37.708 20.097 1.00 0.00 H new ATOM 0 HA ARG A 74 62.064 35.506 21.769 1.00 0.00 H new ATOM 0 HB2 ARG A 74 62.089 36.102 18.772 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.670 34.601 19.466 1.00 0.00 H new ATOM 0 HG2 ARG A 74 60.399 34.196 20.443 1.00 0.00 H new ATOM 0 HG3 ARG A 74 59.828 35.675 19.697 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.006 33.334 18.140 1.00 0.00 H new ATOM 0 HD3 ARG A 74 59.289 33.568 18.401 1.00 0.00 H new ATOM 0 HE ARG A 74 61.048 35.095 16.612 1.00 0.00 H new ATOM 0 HH11 ARG A 74 57.715 34.804 17.919 1.00 0.00 H new ATOM 0 HH12 ARG A 74 57.115 36.071 16.843 1.00 0.00 H new ATOM 0 HH21 ARG A 74 60.217 36.849 15.432 1.00 0.00 H new ATOM 0 HH22 ARG A 74 58.484 37.191 15.484 1.00 0.00 H new ATOM 1217 N GLY A 75 64.155 37.687 20.598 1.00 0.00 N ATOM 1218 CA GLY A 75 65.519 38.175 20.637 1.00 0.00 C ATOM 1219 C GLY A 75 65.699 39.584 20.069 1.00 0.00 C ATOM 1220 O GLY A 75 64.736 40.318 19.858 1.00 0.00 O ATOM 0 H GLY A 75 63.495 38.380 20.244 1.00 0.00 H new ATOM 0 HA2 GLY A 75 65.867 38.165 21.670 1.00 0.00 H new ATOM 0 HA3 GLY A 75 66.155 37.487 20.080 1.00 0.00 H new ATOM 1224 N GLY A 76 66.953 39.953 19.828 1.00 0.00 N ATOM 1225 CA GLY A 76 67.375 41.251 19.343 1.00 0.00 C ATOM 1226 C GLY A 76 68.626 41.168 18.466 1.00 0.00 C ATOM 1227 O GLY A 76 69.703 40.855 19.018 1.00 0.00 O ATOM 1228 OXT GLY A 76 68.481 41.357 17.238 1.00 0.00 O ATOM 0 H GLY A 76 67.738 39.318 19.975 1.00 0.00 H new ATOM 0 HA2 GLY A 76 66.564 41.704 18.772 1.00 0.00 H new ATOM 0 HA3 GLY A 76 67.572 41.906 20.191 1.00 0.00 H new TER 1232 GLY A 76