USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 515 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 29 ASN : amide:sc=-0.00747 K(o=-0.095,f=-1.6) USER MOD Set 1.2: A 31 GLN : amide:sc= -0.0871 X(o=-0.095,f=-0.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.0658 (180deg=-0.217) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0825 X(o=-0.083,f=-0.35) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HE2:sc= 0.488 K(o=0.52,f=-2!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -107:sc= 1.28 (180deg=0.52) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.322 X(o=-0.32,f=-0.015) USER MOD Single : A 47 GLN : amide:sc=-0.00456 X(o=-0.0046,f=-0.23) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 161:sc= -0.814 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 150:sc= -0.777 USER MOD Single : A 63 LYS NZ :NH3+ -124:sc= 1.28 (180deg=0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.151 24.636 51.651 1.00 0.00 N ATOM 2 CA MET A 1 29.442 25.242 52.069 1.00 0.00 C ATOM 3 C MET A 1 30.620 24.678 51.247 1.00 0.00 C ATOM 4 O MET A 1 31.781 24.751 51.672 1.00 0.00 O ATOM 5 CB MET A 1 29.642 25.034 53.595 1.00 0.00 C ATOM 6 CG MET A 1 29.703 23.567 54.060 1.00 0.00 C ATOM 7 SD MET A 1 29.949 23.420 55.847 1.00 0.00 S ATOM 8 CE MET A 1 30.028 21.639 56.053 1.00 0.00 C ATOM 0 H1 MET A 1 27.407 24.903 52.327 1.00 0.00 H new ATOM 0 H2 MET A 1 27.897 24.979 50.703 1.00 0.00 H new ATOM 0 H3 MET A 1 28.244 23.600 51.631 1.00 0.00 H new ATOM 0 HA MET A 1 29.414 26.313 51.870 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.565 25.531 53.894 1.00 0.00 H new ATOM 0 HB3 MET A 1 28.827 25.531 54.122 1.00 0.00 H new ATOM 0 HG2 MET A 1 28.779 23.061 53.780 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.515 23.058 53.541 1.00 0.00 H new ATOM 0 HE1 MET A 1 30.177 21.401 57.106 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.096 21.191 55.708 1.00 0.00 H new ATOM 0 HE3 MET A 1 30.859 21.242 55.470 1.00 0.00 H new ATOM 20 N SER A 2 30.314 24.165 50.038 1.00 0.00 N ATOM 21 CA SER A 2 31.321 23.597 49.121 1.00 0.00 C ATOM 22 C SER A 2 30.867 23.789 47.658 1.00 0.00 C ATOM 23 O SER A 2 29.704 23.517 47.328 1.00 0.00 O ATOM 24 CB SER A 2 31.538 22.096 49.432 1.00 0.00 C ATOM 25 OG SER A 2 30.317 21.371 49.396 1.00 0.00 O ATOM 0 H SER A 2 29.363 24.133 49.671 1.00 0.00 H new ATOM 0 HA SER A 2 32.268 24.118 49.263 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.235 21.672 48.709 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.995 21.990 50.416 1.00 0.00 H new ATOM 0 HG SER A 2 30.491 20.427 49.595 1.00 0.00 H new ATOM 31 N ARG A 3 31.790 24.264 46.797 1.00 0.00 N ATOM 32 CA ARG A 3 31.521 24.483 45.354 1.00 0.00 C ATOM 33 C ARG A 3 31.611 23.163 44.564 1.00 0.00 C ATOM 34 O ARG A 3 32.401 22.279 44.902 1.00 0.00 O ATOM 35 CB ARG A 3 32.513 25.530 44.745 1.00 0.00 C ATOM 36 CG ARG A 3 32.118 27.014 44.926 1.00 0.00 C ATOM 37 CD ARG A 3 32.035 27.483 46.385 1.00 0.00 C ATOM 38 NE ARG A 3 31.724 28.918 46.467 1.00 0.00 N ATOM 39 CZ ARG A 3 31.748 29.669 47.584 1.00 0.00 C ATOM 40 NH1 ARG A 3 32.029 29.139 48.769 1.00 0.00 N ATOM 41 NH2 ARG A 3 31.482 30.959 47.501 1.00 0.00 N ATOM 0 H ARG A 3 32.740 24.507 47.077 1.00 0.00 H new ATOM 0 HA ARG A 3 30.506 24.873 45.272 1.00 0.00 H new ATOM 0 HB2 ARG A 3 33.494 25.377 45.194 1.00 0.00 H new ATOM 0 HB3 ARG A 3 32.616 25.328 43.679 1.00 0.00 H new ATOM 0 HG2 ARG A 3 32.843 27.635 44.400 1.00 0.00 H new ATOM 0 HG3 ARG A 3 31.151 27.179 44.450 1.00 0.00 H new ATOM 0 HD2 ARG A 3 31.269 26.912 46.910 1.00 0.00 H new ATOM 0 HD3 ARG A 3 32.982 27.284 46.888 1.00 0.00 H new ATOM 0 HE ARG A 3 31.467 29.387 45.599 1.00 0.00 H new ATOM 0 HH11 ARG A 3 32.233 28.143 48.847 1.00 0.00 H new ATOM 0 HH12 ARG A 3 32.041 29.728 49.601 1.00 0.00 H new ATOM 0 HH21 ARG A 3 31.261 31.377 46.597 1.00 0.00 H new ATOM 0 HH22 ARG A 3 31.497 31.538 48.341 1.00 0.00 H new ATOM 55 N MET A 4 30.785 23.054 43.515 1.00 0.00 N ATOM 56 CA MET A 4 30.837 21.963 42.535 1.00 0.00 C ATOM 57 C MET A 4 31.570 22.488 41.285 1.00 0.00 C ATOM 58 O MET A 4 30.954 22.790 40.252 1.00 0.00 O ATOM 59 CB MET A 4 29.398 21.472 42.192 1.00 0.00 C ATOM 60 CG MET A 4 28.573 20.954 43.391 1.00 0.00 C ATOM 61 SD MET A 4 28.215 22.238 44.627 1.00 0.00 S ATOM 62 CE MET A 4 27.185 21.349 45.792 1.00 0.00 C ATOM 0 H MET A 4 30.050 23.734 43.321 1.00 0.00 H new ATOM 0 HA MET A 4 31.375 21.106 42.940 1.00 0.00 H new ATOM 0 HB2 MET A 4 28.854 22.293 41.725 1.00 0.00 H new ATOM 0 HB3 MET A 4 29.471 20.676 41.451 1.00 0.00 H new ATOM 0 HG2 MET A 4 27.633 20.540 43.025 1.00 0.00 H new ATOM 0 HG3 MET A 4 29.115 20.139 43.871 1.00 0.00 H new ATOM 0 HE1 MET A 4 26.893 22.017 46.603 1.00 0.00 H new ATOM 0 HE2 MET A 4 26.293 20.983 45.284 1.00 0.00 H new ATOM 0 HE3 MET A 4 27.742 20.505 46.200 1.00 0.00 H new ATOM 72 N ASP A 5 32.900 22.653 41.420 1.00 0.00 N ATOM 73 CA ASP A 5 33.762 23.270 40.378 1.00 0.00 C ATOM 74 C ASP A 5 34.119 22.282 39.252 1.00 0.00 C ATOM 75 O ASP A 5 34.737 22.676 38.253 1.00 0.00 O ATOM 76 CB ASP A 5 35.048 23.849 41.028 1.00 0.00 C ATOM 77 CG ASP A 5 35.975 22.766 41.614 1.00 0.00 C ATOM 78 OD1 ASP A 5 35.645 22.202 42.679 1.00 0.00 O ATOM 79 OD2 ASP A 5 37.027 22.457 41.005 1.00 0.00 O ATOM 0 H ASP A 5 33.413 22.364 42.253 1.00 0.00 H new ATOM 0 HA ASP A 5 33.194 24.079 39.919 1.00 0.00 H new ATOM 0 HB2 ASP A 5 35.597 24.423 40.282 1.00 0.00 H new ATOM 0 HB3 ASP A 5 34.766 24.543 41.820 1.00 0.00 H new ATOM 84 N ASN A 6 33.748 21.005 39.437 1.00 0.00 N ATOM 85 CA ASN A 6 33.935 19.941 38.436 1.00 0.00 C ATOM 86 C ASN A 6 33.275 20.310 37.084 1.00 0.00 C ATOM 87 O ASN A 6 32.093 20.677 37.043 1.00 0.00 O ATOM 88 CB ASN A 6 33.372 18.593 38.971 1.00 0.00 C ATOM 89 CG ASN A 6 31.929 18.681 39.503 1.00 0.00 C ATOM 90 OD1 ASN A 6 31.711 18.976 40.680 1.00 0.00 O ATOM 91 ND2 ASN A 6 30.942 18.435 38.653 1.00 0.00 N ATOM 0 H ASN A 6 33.305 20.678 40.295 1.00 0.00 H new ATOM 0 HA ASN A 6 35.005 19.831 38.260 1.00 0.00 H new ATOM 0 HB2 ASN A 6 33.408 17.853 38.171 1.00 0.00 H new ATOM 0 HB3 ASN A 6 34.021 18.232 39.769 1.00 0.00 H new ATOM 0 HD21 ASN A 6 29.973 18.488 38.967 1.00 0.00 H new ATOM 0 HD22 ASN A 6 31.151 18.193 37.684 1.00 0.00 H new ATOM 98 N THR A 7 34.063 20.221 35.993 1.00 0.00 N ATOM 99 CA THR A 7 33.617 20.563 34.629 1.00 0.00 C ATOM 100 C THR A 7 34.562 19.905 33.591 1.00 0.00 C ATOM 101 O THR A 7 35.789 20.066 33.661 1.00 0.00 O ATOM 102 CB THR A 7 33.537 22.127 34.423 1.00 0.00 C ATOM 103 OG1 THR A 7 33.105 22.448 33.085 1.00 0.00 O ATOM 104 CG2 THR A 7 34.873 22.837 34.723 1.00 0.00 C ATOM 0 H THR A 7 35.033 19.908 36.035 1.00 0.00 H new ATOM 0 HA THR A 7 32.610 20.173 34.483 1.00 0.00 H new ATOM 0 HB THR A 7 32.802 22.493 35.140 1.00 0.00 H new ATOM 0 HG1 THR A 7 33.061 23.421 32.980 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.759 23.909 34.565 1.00 0.00 H new ATOM 0 HG22 THR A 7 35.159 22.651 35.758 1.00 0.00 H new ATOM 0 HG23 THR A 7 35.647 22.453 34.058 1.00 0.00 H new ATOM 112 N GLU A 8 33.988 19.123 32.653 1.00 0.00 N ATOM 113 CA GLU A 8 34.748 18.402 31.603 1.00 0.00 C ATOM 114 C GLU A 8 34.211 18.787 30.214 1.00 0.00 C ATOM 115 O GLU A 8 33.272 18.170 29.699 1.00 0.00 O ATOM 116 CB GLU A 8 34.694 16.848 31.835 1.00 0.00 C ATOM 117 CG GLU A 8 35.928 16.248 32.547 1.00 0.00 C ATOM 118 CD GLU A 8 37.200 16.279 31.674 1.00 0.00 C ATOM 119 OE1 GLU A 8 37.201 15.648 30.591 1.00 0.00 O ATOM 120 OE2 GLU A 8 38.194 16.940 32.049 1.00 0.00 O ATOM 0 H GLU A 8 32.981 18.971 32.600 1.00 0.00 H new ATOM 0 HA GLU A 8 35.796 18.697 31.659 1.00 0.00 H new ATOM 0 HB2 GLU A 8 33.806 16.615 32.422 1.00 0.00 H new ATOM 0 HB3 GLU A 8 34.576 16.356 30.870 1.00 0.00 H new ATOM 0 HG2 GLU A 8 36.113 16.799 33.469 1.00 0.00 H new ATOM 0 HG3 GLU A 8 35.713 15.218 32.830 1.00 0.00 H new ATOM 127 N LEU A 9 34.803 19.836 29.625 1.00 0.00 N ATOM 128 CA LEU A 9 34.467 20.310 28.264 1.00 0.00 C ATOM 129 C LEU A 9 35.047 19.338 27.196 1.00 0.00 C ATOM 130 O LEU A 9 35.927 18.540 27.542 1.00 0.00 O ATOM 131 CB LEU A 9 35.027 21.751 28.082 1.00 0.00 C ATOM 132 CG LEU A 9 34.459 22.828 29.060 1.00 0.00 C ATOM 133 CD1 LEU A 9 35.101 24.206 28.813 1.00 0.00 C ATOM 134 CD2 LEU A 9 32.917 22.907 28.977 1.00 0.00 C ATOM 0 H LEU A 9 35.533 20.386 30.077 1.00 0.00 H new ATOM 0 HA LEU A 9 33.385 20.332 28.133 1.00 0.00 H new ATOM 0 HB2 LEU A 9 36.110 21.717 28.198 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.826 22.073 27.060 1.00 0.00 H new ATOM 0 HG LEU A 9 34.720 22.519 30.072 1.00 0.00 H new ATOM 0 HD11 LEU A 9 34.683 24.932 29.510 1.00 0.00 H new ATOM 0 HD12 LEU A 9 36.179 24.137 28.963 1.00 0.00 H new ATOM 0 HD13 LEU A 9 34.896 24.525 27.791 1.00 0.00 H new ATOM 0 HD21 LEU A 9 32.554 23.666 29.670 1.00 0.00 H new ATOM 0 HD22 LEU A 9 32.620 23.171 27.962 1.00 0.00 H new ATOM 0 HD23 LEU A 9 32.488 21.940 29.241 1.00 0.00 H new ATOM 146 N PRO A 10 34.538 19.366 25.900 1.00 0.00 N ATOM 147 CA PRO A 10 35.092 18.556 24.766 1.00 0.00 C ATOM 148 C PRO A 10 36.642 18.487 24.729 1.00 0.00 C ATOM 149 O PRO A 10 37.323 19.491 24.964 1.00 0.00 O ATOM 150 CB PRO A 10 34.534 19.284 23.525 1.00 0.00 C ATOM 151 CG PRO A 10 33.193 19.789 23.979 1.00 0.00 C ATOM 152 CD PRO A 10 33.353 20.162 25.447 1.00 0.00 C ATOM 0 HA PRO A 10 34.802 17.508 24.844 1.00 0.00 H new ATOM 0 HB2 PRO A 10 35.185 20.101 23.214 1.00 0.00 H new ATOM 0 HB3 PRO A 10 34.440 18.610 22.674 1.00 0.00 H new ATOM 0 HG2 PRO A 10 32.882 20.652 23.390 1.00 0.00 H new ATOM 0 HG3 PRO A 10 32.426 19.024 23.853 1.00 0.00 H new ATOM 0 HD2 PRO A 10 33.521 21.232 25.570 1.00 0.00 H new ATOM 0 HD3 PRO A 10 32.461 19.911 26.021 1.00 0.00 H new ATOM 160 N HIS A 11 37.166 17.292 24.419 1.00 0.00 N ATOM 161 CA HIS A 11 38.593 16.935 24.598 1.00 0.00 C ATOM 162 C HIS A 11 38.943 15.682 23.747 1.00 0.00 C ATOM 163 O HIS A 11 38.020 15.017 23.260 1.00 0.00 O ATOM 164 CB HIS A 11 38.849 16.676 26.115 1.00 0.00 C ATOM 165 CG HIS A 11 38.002 15.567 26.696 1.00 0.00 C ATOM 166 ND1 HIS A 11 36.683 15.739 27.053 1.00 0.00 N ATOM 167 CD2 HIS A 11 38.282 14.267 26.941 1.00 0.00 C ATOM 168 CE1 HIS A 11 36.198 14.598 27.498 1.00 0.00 C ATOM 169 NE2 HIS A 11 37.146 13.691 27.435 1.00 0.00 N ATOM 0 H HIS A 11 36.608 16.531 24.031 1.00 0.00 H new ATOM 0 HA HIS A 11 39.233 17.750 24.259 1.00 0.00 H new ATOM 0 HB2 HIS A 11 39.901 16.431 26.260 1.00 0.00 H new ATOM 0 HB3 HIS A 11 38.657 17.595 26.668 1.00 0.00 H new ATOM 0 HD1 HIS A 11 36.163 16.614 26.984 1.00 0.00 H new ATOM 0 HD2 HIS A 11 39.229 13.775 26.776 1.00 0.00 H new ATOM 0 HE1 HIS A 11 35.191 14.436 27.854 1.00 0.00 H new ATOM 178 N PRO A 12 40.274 15.354 23.539 1.00 0.00 N ATOM 179 CA PRO A 12 40.709 14.096 22.861 1.00 0.00 C ATOM 180 C PRO A 12 40.070 12.801 23.439 1.00 0.00 C ATOM 181 O PRO A 12 39.903 12.677 24.661 1.00 0.00 O ATOM 182 CB PRO A 12 42.244 14.088 23.085 1.00 0.00 C ATOM 183 CG PRO A 12 42.615 15.538 23.157 1.00 0.00 C ATOM 184 CD PRO A 12 41.461 16.211 23.887 1.00 0.00 C ATOM 0 HA PRO A 12 40.399 14.091 21.816 1.00 0.00 H new ATOM 0 HB2 PRO A 12 42.509 13.563 24.003 1.00 0.00 H new ATOM 0 HB3 PRO A 12 42.763 13.585 22.269 1.00 0.00 H new ATOM 0 HG2 PRO A 12 43.554 15.678 23.692 1.00 0.00 H new ATOM 0 HG3 PRO A 12 42.750 15.960 22.161 1.00 0.00 H new ATOM 0 HD2 PRO A 12 41.631 16.242 24.963 1.00 0.00 H new ATOM 0 HD3 PRO A 12 41.323 17.240 23.556 1.00 0.00 H new ATOM 192 N LYS A 13 39.733 11.850 22.546 1.00 0.00 N ATOM 193 CA LYS A 13 39.106 10.563 22.920 1.00 0.00 C ATOM 194 C LYS A 13 40.134 9.618 23.582 1.00 0.00 C ATOM 195 O LYS A 13 41.259 9.469 23.088 1.00 0.00 O ATOM 196 CB LYS A 13 38.481 9.906 21.659 1.00 0.00 C ATOM 197 CG LYS A 13 37.748 8.562 21.902 1.00 0.00 C ATOM 198 CD LYS A 13 37.185 7.949 20.588 1.00 0.00 C ATOM 199 CE LYS A 13 36.599 6.539 20.778 1.00 0.00 C ATOM 200 NZ LYS A 13 36.062 5.986 19.502 1.00 0.00 N ATOM 0 H LYS A 13 39.887 11.951 21.543 1.00 0.00 H new ATOM 0 HA LYS A 13 38.319 10.752 23.650 1.00 0.00 H new ATOM 0 HB2 LYS A 13 37.776 10.609 21.215 1.00 0.00 H new ATOM 0 HB3 LYS A 13 39.271 9.742 20.926 1.00 0.00 H new ATOM 0 HG2 LYS A 13 38.436 7.854 22.365 1.00 0.00 H new ATOM 0 HG3 LYS A 13 36.931 8.719 22.606 1.00 0.00 H new ATOM 0 HD2 LYS A 13 36.411 8.606 20.191 1.00 0.00 H new ATOM 0 HD3 LYS A 13 37.981 7.907 19.844 1.00 0.00 H new ATOM 0 HE2 LYS A 13 37.371 5.874 21.166 1.00 0.00 H new ATOM 0 HE3 LYS A 13 35.804 6.573 21.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 35.676 5.035 19.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 35.308 6.607 19.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 36.826 5.929 18.799 1.00 0.00 H new ATOM 214 N GLU A 14 39.713 8.974 24.685 1.00 0.00 N ATOM 215 CA GLU A 14 40.579 8.143 25.541 1.00 0.00 C ATOM 216 C GLU A 14 41.065 6.874 24.791 1.00 0.00 C ATOM 217 O GLU A 14 40.255 6.011 24.426 1.00 0.00 O ATOM 218 CB GLU A 14 39.825 7.725 26.848 1.00 0.00 C ATOM 219 CG GLU A 14 39.446 8.870 27.838 1.00 0.00 C ATOM 220 CD GLU A 14 38.444 9.899 27.281 1.00 0.00 C ATOM 221 OE1 GLU A 14 37.417 9.491 26.700 1.00 0.00 O ATOM 222 OE2 GLU A 14 38.678 11.116 27.410 1.00 0.00 O ATOM 0 H GLU A 14 38.748 9.017 25.012 1.00 0.00 H new ATOM 0 HA GLU A 14 41.450 8.743 25.805 1.00 0.00 H new ATOM 0 HB2 GLU A 14 38.910 7.207 26.561 1.00 0.00 H new ATOM 0 HB3 GLU A 14 40.445 7.005 27.382 1.00 0.00 H new ATOM 0 HG2 GLU A 14 39.026 8.427 28.741 1.00 0.00 H new ATOM 0 HG3 GLU A 14 40.356 9.393 28.133 1.00 0.00 H new ATOM 229 N ILE A 15 42.386 6.794 24.549 1.00 0.00 N ATOM 230 CA ILE A 15 43.049 5.594 23.993 1.00 0.00 C ATOM 231 C ILE A 15 43.681 4.795 25.152 1.00 0.00 C ATOM 232 O ILE A 15 44.786 5.107 25.614 1.00 0.00 O ATOM 233 CB ILE A 15 44.145 5.983 22.922 1.00 0.00 C ATOM 234 CG1 ILE A 15 43.517 6.862 21.796 1.00 0.00 C ATOM 235 CG2 ILE A 15 44.839 4.723 22.330 1.00 0.00 C ATOM 236 CD1 ILE A 15 44.487 7.311 20.714 1.00 0.00 C ATOM 0 H ILE A 15 43.030 7.563 24.734 1.00 0.00 H new ATOM 0 HA ILE A 15 42.306 4.982 23.483 1.00 0.00 H new ATOM 0 HB ILE A 15 44.915 6.567 23.426 1.00 0.00 H new ATOM 0 HG12 ILE A 15 42.708 6.302 21.328 1.00 0.00 H new ATOM 0 HG13 ILE A 15 43.071 7.746 22.252 1.00 0.00 H new ATOM 0 HG21 ILE A 15 45.586 5.029 21.598 1.00 0.00 H new ATOM 0 HG22 ILE A 15 45.324 4.164 23.131 1.00 0.00 H new ATOM 0 HG23 ILE A 15 44.094 4.091 21.846 1.00 0.00 H new ATOM 0 HD11 ILE A 15 43.957 7.916 19.978 1.00 0.00 H new ATOM 0 HD12 ILE A 15 45.285 7.903 21.163 1.00 0.00 H new ATOM 0 HD13 ILE A 15 44.916 6.437 20.224 1.00 0.00 H new ATOM 248 N ASP A 16 42.935 3.801 25.652 1.00 0.00 N ATOM 249 CA ASP A 16 43.380 2.933 26.761 1.00 0.00 C ATOM 250 C ASP A 16 43.996 1.643 26.203 1.00 0.00 C ATOM 251 O ASP A 16 43.586 1.165 25.140 1.00 0.00 O ATOM 252 CB ASP A 16 42.179 2.613 27.686 1.00 0.00 C ATOM 253 CG ASP A 16 42.579 1.861 28.966 1.00 0.00 C ATOM 254 OD1 ASP A 16 43.048 2.517 29.926 1.00 0.00 O ATOM 255 OD2 ASP A 16 42.452 0.618 29.019 1.00 0.00 O ATOM 0 H ASP A 16 42.005 3.572 25.302 1.00 0.00 H new ATOM 0 HA ASP A 16 44.141 3.451 27.344 1.00 0.00 H new ATOM 0 HB2 ASP A 16 41.683 3.544 27.960 1.00 0.00 H new ATOM 0 HB3 ASP A 16 41.453 2.016 27.134 1.00 0.00 H new ATOM 260 N ASN A 17 44.979 1.082 26.925 1.00 0.00 N ATOM 261 CA ASN A 17 45.663 -0.155 26.508 1.00 0.00 C ATOM 262 C ASN A 17 44.742 -1.371 26.742 1.00 0.00 C ATOM 263 O ASN A 17 44.760 -1.988 27.813 1.00 0.00 O ATOM 264 CB ASN A 17 47.020 -0.334 27.252 1.00 0.00 C ATOM 265 CG ASN A 17 47.991 0.829 27.042 1.00 0.00 C ATOM 266 OD1 ASN A 17 48.770 0.842 26.090 1.00 0.00 O ATOM 267 ND2 ASN A 17 47.937 1.823 27.919 1.00 0.00 N ATOM 0 H ASN A 17 45.320 1.467 27.806 1.00 0.00 H new ATOM 0 HA ASN A 17 45.885 -0.081 25.443 1.00 0.00 H new ATOM 0 HB2 ASN A 17 46.828 -0.448 28.319 1.00 0.00 H new ATOM 0 HB3 ASN A 17 47.492 -1.256 26.913 1.00 0.00 H new ATOM 0 HD21 ASN A 17 48.553 2.629 27.815 1.00 0.00 H new ATOM 0 HD22 ASN A 17 47.279 1.781 28.698 1.00 0.00 H new ATOM 274 N GLU A 18 43.899 -1.672 25.735 1.00 0.00 N ATOM 275 CA GLU A 18 42.984 -2.838 25.748 1.00 0.00 C ATOM 276 C GLU A 18 43.734 -4.132 25.345 1.00 0.00 C ATOM 277 O GLU A 18 43.173 -5.231 25.414 1.00 0.00 O ATOM 278 CB GLU A 18 41.770 -2.593 24.790 1.00 0.00 C ATOM 279 CG GLU A 18 42.062 -2.732 23.269 1.00 0.00 C ATOM 280 CD GLU A 18 43.036 -1.686 22.690 1.00 0.00 C ATOM 281 OE1 GLU A 18 44.275 -1.877 22.789 1.00 0.00 O ATOM 282 OE2 GLU A 18 42.570 -0.667 22.140 1.00 0.00 O ATOM 0 H GLU A 18 43.831 -1.113 24.885 1.00 0.00 H new ATOM 0 HA GLU A 18 42.608 -2.962 26.764 1.00 0.00 H new ATOM 0 HB2 GLU A 18 40.978 -3.294 25.053 1.00 0.00 H new ATOM 0 HB3 GLU A 18 41.383 -1.591 24.975 1.00 0.00 H new ATOM 0 HG2 GLU A 18 42.468 -3.726 23.083 1.00 0.00 H new ATOM 0 HG3 GLU A 18 41.119 -2.666 22.727 1.00 0.00 H new ATOM 289 N THR A 19 45.001 -3.959 24.913 1.00 0.00 N ATOM 290 CA THR A 19 45.871 -5.025 24.384 1.00 0.00 C ATOM 291 C THR A 19 45.960 -6.244 25.335 1.00 0.00 C ATOM 292 O THR A 19 46.211 -6.084 26.541 1.00 0.00 O ATOM 293 CB THR A 19 47.298 -4.445 24.109 1.00 0.00 C ATOM 294 OG1 THR A 19 47.182 -3.263 23.295 1.00 0.00 O ATOM 295 CG2 THR A 19 48.221 -5.456 23.397 1.00 0.00 C ATOM 0 H THR A 19 45.458 -3.047 24.924 1.00 0.00 H new ATOM 0 HA THR A 19 45.429 -5.383 23.454 1.00 0.00 H new ATOM 0 HB THR A 19 47.746 -4.212 25.075 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.074 -2.896 23.122 1.00 0.00 H new ATOM 0 HG21 THR A 19 49.198 -5.002 23.231 1.00 0.00 H new ATOM 0 HG22 THR A 19 48.335 -6.345 24.018 1.00 0.00 H new ATOM 0 HG23 THR A 19 47.783 -5.736 22.439 1.00 0.00 H new ATOM 303 N LEU A 20 45.714 -7.450 24.779 1.00 0.00 N ATOM 304 CA LEU A 20 45.692 -8.712 25.540 1.00 0.00 C ATOM 305 C LEU A 20 47.115 -9.144 25.925 1.00 0.00 C ATOM 306 O LEU A 20 48.100 -8.741 25.294 1.00 0.00 O ATOM 307 CB LEU A 20 44.998 -9.833 24.712 1.00 0.00 C ATOM 308 CG LEU A 20 43.551 -9.518 24.215 1.00 0.00 C ATOM 309 CD1 LEU A 20 42.962 -10.686 23.391 1.00 0.00 C ATOM 310 CD2 LEU A 20 42.622 -9.143 25.388 1.00 0.00 C ATOM 0 H LEU A 20 45.524 -7.573 23.784 1.00 0.00 H new ATOM 0 HA LEU A 20 45.124 -8.546 26.455 1.00 0.00 H new ATOM 0 HB2 LEU A 20 45.619 -10.054 23.844 1.00 0.00 H new ATOM 0 HB3 LEU A 20 44.964 -10.738 25.319 1.00 0.00 H new ATOM 0 HG LEU A 20 43.620 -8.654 23.555 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.955 -10.429 23.063 1.00 0.00 H new ATOM 0 HD12 LEU A 20 43.591 -10.870 22.520 1.00 0.00 H new ATOM 0 HD13 LEU A 20 42.924 -11.584 24.008 1.00 0.00 H new ATOM 0 HD21 LEU A 20 41.623 -8.930 25.007 1.00 0.00 H new ATOM 0 HD22 LEU A 20 42.572 -9.973 26.093 1.00 0.00 H new ATOM 0 HD23 LEU A 20 43.013 -8.261 25.894 1.00 0.00 H new ATOM 322 N LEU A 21 47.194 -9.987 26.958 1.00 0.00 N ATOM 323 CA LEU A 21 48.462 -10.496 27.508 1.00 0.00 C ATOM 324 C LEU A 21 48.871 -11.786 26.761 1.00 0.00 C ATOM 325 O LEU A 21 47.987 -12.526 26.307 1.00 0.00 O ATOM 326 CB LEU A 21 48.332 -10.761 29.042 1.00 0.00 C ATOM 327 CG LEU A 21 48.190 -9.500 29.971 1.00 0.00 C ATOM 328 CD1 LEU A 21 46.826 -8.798 29.814 1.00 0.00 C ATOM 329 CD2 LEU A 21 48.466 -9.857 31.448 1.00 0.00 C ATOM 0 H LEU A 21 46.371 -10.342 27.445 1.00 0.00 H new ATOM 0 HA LEU A 21 49.238 -9.744 27.365 1.00 0.00 H new ATOM 0 HB2 LEU A 21 47.465 -11.401 29.204 1.00 0.00 H new ATOM 0 HB3 LEU A 21 49.208 -11.324 29.365 1.00 0.00 H new ATOM 0 HG LEU A 21 48.949 -8.788 29.646 1.00 0.00 H new ATOM 0 HD11 LEU A 21 46.782 -7.935 30.478 1.00 0.00 H new ATOM 0 HD12 LEU A 21 46.703 -8.469 28.782 1.00 0.00 H new ATOM 0 HD13 LEU A 21 46.027 -9.494 30.070 1.00 0.00 H new ATOM 0 HD21 LEU A 21 48.360 -8.964 32.064 1.00 0.00 H new ATOM 0 HD22 LEU A 21 47.754 -10.613 31.779 1.00 0.00 H new ATOM 0 HD23 LEU A 21 49.479 -10.246 31.545 1.00 0.00 H new ATOM 341 N PRO A 22 50.214 -12.079 26.617 1.00 0.00 N ATOM 342 CA PRO A 22 50.701 -13.309 25.946 1.00 0.00 C ATOM 343 C PRO A 22 50.283 -14.583 26.720 1.00 0.00 C ATOM 344 O PRO A 22 50.110 -14.539 27.949 1.00 0.00 O ATOM 345 CB PRO A 22 52.250 -13.128 25.930 1.00 0.00 C ATOM 346 CG PRO A 22 52.529 -12.191 27.070 1.00 0.00 C ATOM 347 CD PRO A 22 51.352 -11.234 27.082 1.00 0.00 C ATOM 0 HA PRO A 22 50.283 -13.439 24.948 1.00 0.00 H new ATOM 0 HB2 PRO A 22 52.763 -14.081 26.064 1.00 0.00 H new ATOM 0 HB3 PRO A 22 52.592 -12.713 24.982 1.00 0.00 H new ATOM 0 HG2 PRO A 22 52.610 -12.730 28.014 1.00 0.00 H new ATOM 0 HG3 PRO A 22 53.469 -11.660 26.924 1.00 0.00 H new ATOM 0 HD2 PRO A 22 51.172 -10.831 28.079 1.00 0.00 H new ATOM 0 HD3 PRO A 22 51.518 -10.384 26.420 1.00 0.00 H new ATOM 355 N ALA A 23 50.096 -15.706 25.990 1.00 0.00 N ATOM 356 CA ALA A 23 49.667 -16.987 26.590 1.00 0.00 C ATOM 357 C ALA A 23 50.713 -17.482 27.597 1.00 0.00 C ATOM 358 O ALA A 23 50.403 -17.716 28.772 1.00 0.00 O ATOM 359 CB ALA A 23 49.413 -18.038 25.502 1.00 0.00 C ATOM 0 H ALA A 23 50.237 -15.749 24.981 1.00 0.00 H new ATOM 0 HA ALA A 23 48.730 -16.823 27.123 1.00 0.00 H new ATOM 0 HB1 ALA A 23 49.098 -18.973 25.966 1.00 0.00 H new ATOM 0 HB2 ALA A 23 48.631 -17.685 24.830 1.00 0.00 H new ATOM 0 HB3 ALA A 23 50.329 -18.204 24.936 1.00 0.00 H new ATOM 365 N ALA A 24 51.958 -17.584 27.120 1.00 0.00 N ATOM 366 CA ALA A 24 53.111 -17.985 27.938 1.00 0.00 C ATOM 367 C ALA A 24 54.402 -17.418 27.332 1.00 0.00 C ATOM 368 O ALA A 24 54.486 -17.238 26.116 1.00 0.00 O ATOM 369 CB ALA A 24 53.201 -19.519 28.043 1.00 0.00 C ATOM 0 H ALA A 24 52.197 -17.389 26.148 1.00 0.00 H new ATOM 0 HA ALA A 24 52.980 -17.583 28.943 1.00 0.00 H new ATOM 0 HB1 ALA A 24 54.062 -19.792 28.653 1.00 0.00 H new ATOM 0 HB2 ALA A 24 52.292 -19.906 28.504 1.00 0.00 H new ATOM 0 HB3 ALA A 24 53.313 -19.946 27.046 1.00 0.00 H new ATOM 375 N GLU A 25 55.385 -17.127 28.191 1.00 0.00 N ATOM 376 CA GLU A 25 56.754 -16.755 27.776 1.00 0.00 C ATOM 377 C GLU A 25 57.733 -17.883 28.170 1.00 0.00 C ATOM 378 O GLU A 25 58.939 -17.665 28.314 1.00 0.00 O ATOM 379 CB GLU A 25 57.158 -15.400 28.410 1.00 0.00 C ATOM 380 CG GLU A 25 57.086 -15.374 29.943 1.00 0.00 C ATOM 381 CD GLU A 25 57.542 -14.038 30.549 1.00 0.00 C ATOM 382 OE1 GLU A 25 56.819 -13.031 30.394 1.00 0.00 O ATOM 383 OE2 GLU A 25 58.614 -13.991 31.193 1.00 0.00 O ATOM 0 H GLU A 25 55.258 -17.141 29.203 1.00 0.00 H new ATOM 0 HA GLU A 25 56.790 -16.632 26.694 1.00 0.00 H new ATOM 0 HB2 GLU A 25 58.175 -15.156 28.101 1.00 0.00 H new ATOM 0 HB3 GLU A 25 56.509 -14.619 28.014 1.00 0.00 H new ATOM 0 HG2 GLU A 25 56.061 -15.576 30.255 1.00 0.00 H new ATOM 0 HG3 GLU A 25 57.705 -16.177 30.343 1.00 0.00 H new ATOM 390 N ARG A 26 57.183 -19.105 28.307 1.00 0.00 N ATOM 391 CA ARG A 26 57.929 -20.306 28.711 1.00 0.00 C ATOM 392 C ARG A 26 58.630 -20.934 27.485 1.00 0.00 C ATOM 393 O ARG A 26 58.033 -21.755 26.781 1.00 0.00 O ATOM 394 CB ARG A 26 56.956 -21.337 29.360 1.00 0.00 C ATOM 395 CG ARG A 26 57.619 -22.647 29.861 1.00 0.00 C ATOM 396 CD ARG A 26 58.353 -22.492 31.208 1.00 0.00 C ATOM 397 NE ARG A 26 57.416 -22.211 32.312 1.00 0.00 N ATOM 398 CZ ARG A 26 56.492 -23.077 32.787 1.00 0.00 C ATOM 399 NH1 ARG A 26 56.422 -24.335 32.357 1.00 0.00 N ATOM 400 NH2 ARG A 26 55.642 -22.680 33.721 1.00 0.00 N ATOM 0 H ARG A 26 56.194 -19.285 28.137 1.00 0.00 H new ATOM 0 HA ARG A 26 58.688 -20.025 29.441 1.00 0.00 H new ATOM 0 HB2 ARG A 26 56.453 -20.859 30.201 1.00 0.00 H new ATOM 0 HB3 ARG A 26 56.186 -21.594 28.632 1.00 0.00 H new ATOM 0 HG2 ARG A 26 56.854 -23.417 29.960 1.00 0.00 H new ATOM 0 HG3 ARG A 26 58.327 -22.997 29.109 1.00 0.00 H new ATOM 0 HD2 ARG A 26 58.909 -23.404 31.426 1.00 0.00 H new ATOM 0 HD3 ARG A 26 59.081 -21.684 31.135 1.00 0.00 H new ATOM 0 HE ARG A 26 57.469 -21.292 32.751 1.00 0.00 H new ATOM 0 HH11 ARG A 26 57.077 -24.669 31.650 1.00 0.00 H new ATOM 0 HH12 ARG A 26 55.714 -24.964 32.735 1.00 0.00 H new ATOM 0 HH21 ARG A 26 55.686 -21.726 34.078 1.00 0.00 H new ATOM 0 HH22 ARG A 26 54.943 -23.328 34.083 1.00 0.00 H new ATOM 414 N ARG A 27 59.879 -20.513 27.213 1.00 0.00 N ATOM 415 CA ARG A 27 60.700 -21.117 26.148 1.00 0.00 C ATOM 416 C ARG A 27 61.269 -22.460 26.644 1.00 0.00 C ATOM 417 O ARG A 27 62.258 -22.488 27.382 1.00 0.00 O ATOM 418 CB ARG A 27 61.863 -20.189 25.672 1.00 0.00 C ATOM 419 CG ARG A 27 61.435 -18.911 24.902 1.00 0.00 C ATOM 420 CD ARG A 27 60.882 -17.806 25.806 1.00 0.00 C ATOM 421 NE ARG A 27 60.432 -16.631 25.040 1.00 0.00 N ATOM 422 CZ ARG A 27 60.084 -15.447 25.582 1.00 0.00 C ATOM 423 NH1 ARG A 27 60.168 -15.245 26.893 1.00 0.00 N ATOM 424 NH2 ARG A 27 59.649 -14.473 24.803 1.00 0.00 N ATOM 0 H ARG A 27 60.342 -19.756 27.717 1.00 0.00 H new ATOM 0 HA ARG A 27 60.051 -21.271 25.286 1.00 0.00 H new ATOM 0 HB2 ARG A 27 62.443 -19.888 26.545 1.00 0.00 H new ATOM 0 HB3 ARG A 27 62.528 -20.770 25.033 1.00 0.00 H new ATOM 0 HG2 ARG A 27 62.293 -18.524 24.353 1.00 0.00 H new ATOM 0 HG3 ARG A 27 60.678 -19.178 24.164 1.00 0.00 H new ATOM 0 HD2 ARG A 27 60.048 -18.199 26.388 1.00 0.00 H new ATOM 0 HD3 ARG A 27 61.651 -17.502 26.516 1.00 0.00 H new ATOM 0 HE ARG A 27 60.380 -16.720 24.025 1.00 0.00 H new ATOM 0 HH11 ARG A 27 60.500 -15.992 27.504 1.00 0.00 H new ATOM 0 HH12 ARG A 27 59.901 -14.343 27.288 1.00 0.00 H new ATOM 0 HH21 ARG A 27 59.578 -14.619 23.796 1.00 0.00 H new ATOM 0 HH22 ARG A 27 59.384 -13.575 25.208 1.00 0.00 H new ATOM 438 N VAL A 28 60.579 -23.552 26.287 1.00 0.00 N ATOM 439 CA VAL A 28 61.043 -24.943 26.500 1.00 0.00 C ATOM 440 C VAL A 28 61.152 -25.651 25.145 1.00 0.00 C ATOM 441 O VAL A 28 60.472 -25.271 24.186 1.00 0.00 O ATOM 442 CB VAL A 28 60.087 -25.767 27.453 1.00 0.00 C ATOM 443 CG1 VAL A 28 60.237 -25.310 28.927 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.616 -25.669 26.983 1.00 0.00 C ATOM 0 H VAL A 28 59.667 -23.500 25.834 1.00 0.00 H new ATOM 0 HA VAL A 28 62.016 -24.892 26.989 1.00 0.00 H new ATOM 0 HB VAL A 28 60.384 -26.814 27.400 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.568 -25.894 29.559 1.00 0.00 H new ATOM 0 HG12 VAL A 28 61.266 -25.461 29.252 1.00 0.00 H new ATOM 0 HG13 VAL A 28 59.982 -24.253 29.008 1.00 0.00 H new ATOM 0 HG21 VAL A 28 57.980 -26.244 27.656 1.00 0.00 H new ATOM 0 HG22 VAL A 28 58.301 -24.626 26.989 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.530 -26.068 25.972 1.00 0.00 H new ATOM 454 N ASN A 29 61.991 -26.696 25.099 1.00 0.00 N ATOM 455 CA ASN A 29 62.268 -27.478 23.877 1.00 0.00 C ATOM 456 C ASN A 29 60.967 -28.109 23.312 1.00 0.00 C ATOM 457 O ASN A 29 59.997 -28.321 24.056 1.00 0.00 O ATOM 458 CB ASN A 29 63.330 -28.570 24.205 1.00 0.00 C ATOM 459 CG ASN A 29 63.799 -29.385 22.994 1.00 0.00 C ATOM 460 OD1 ASN A 29 63.785 -28.908 21.862 1.00 0.00 O ATOM 461 ND2 ASN A 29 64.234 -30.617 23.227 1.00 0.00 N ATOM 0 H ASN A 29 62.504 -27.029 25.916 1.00 0.00 H new ATOM 0 HA ASN A 29 62.662 -26.816 23.105 1.00 0.00 H new ATOM 0 HB2 ASN A 29 64.196 -28.091 24.662 1.00 0.00 H new ATOM 0 HB3 ASN A 29 62.914 -29.252 24.947 1.00 0.00 H new ATOM 0 HD21 ASN A 29 64.568 -31.194 22.455 1.00 0.00 H new ATOM 0 HD22 ASN A 29 64.234 -30.987 24.178 1.00 0.00 H new ATOM 468 N SER A 30 60.973 -28.397 21.995 1.00 0.00 N ATOM 469 CA SER A 30 59.827 -28.979 21.254 1.00 0.00 C ATOM 470 C SER A 30 59.248 -30.269 21.913 1.00 0.00 C ATOM 471 O SER A 30 58.058 -30.569 21.748 1.00 0.00 O ATOM 472 CB SER A 30 60.258 -29.244 19.789 1.00 0.00 C ATOM 473 OG SER A 30 59.172 -29.657 18.975 1.00 0.00 O ATOM 0 H SER A 30 61.787 -28.230 21.403 1.00 0.00 H new ATOM 0 HA SER A 30 59.014 -28.254 21.282 1.00 0.00 H new ATOM 0 HB2 SER A 30 60.698 -28.338 19.372 1.00 0.00 H new ATOM 0 HB3 SER A 30 61.033 -30.010 19.773 1.00 0.00 H new ATOM 0 HG SER A 30 59.489 -29.811 18.061 1.00 0.00 H new ATOM 479 N GLN A 31 60.090 -31.010 22.664 1.00 0.00 N ATOM 480 CA GLN A 31 59.667 -32.220 23.417 1.00 0.00 C ATOM 481 C GLN A 31 58.539 -31.896 24.441 1.00 0.00 C ATOM 482 O GLN A 31 57.632 -32.706 24.663 1.00 0.00 O ATOM 483 CB GLN A 31 60.889 -32.856 24.137 1.00 0.00 C ATOM 484 CG GLN A 31 61.549 -31.958 25.207 1.00 0.00 C ATOM 485 CD GLN A 31 62.713 -32.623 25.945 1.00 0.00 C ATOM 486 OE1 GLN A 31 62.748 -33.845 26.116 1.00 0.00 O ATOM 487 NE2 GLN A 31 63.668 -31.823 26.408 1.00 0.00 N ATOM 0 H GLN A 31 61.081 -30.791 22.768 1.00 0.00 H new ATOM 0 HA GLN A 31 59.263 -32.935 22.700 1.00 0.00 H new ATOM 0 HB2 GLN A 31 60.572 -33.786 24.609 1.00 0.00 H new ATOM 0 HB3 GLN A 31 61.638 -33.117 23.389 1.00 0.00 H new ATOM 0 HG2 GLN A 31 61.908 -31.046 24.730 1.00 0.00 H new ATOM 0 HG3 GLN A 31 60.793 -31.661 25.934 1.00 0.00 H new ATOM 0 HE21 GLN A 31 63.611 -30.817 26.251 1.00 0.00 H new ATOM 0 HE22 GLN A 31 64.458 -32.215 26.921 1.00 0.00 H new ATOM 496 N ALA A 32 58.615 -30.696 25.047 1.00 0.00 N ATOM 497 CA ALA A 32 57.611 -30.191 26.006 1.00 0.00 C ATOM 498 C ALA A 32 56.779 -29.069 25.353 1.00 0.00 C ATOM 499 O ALA A 32 56.456 -28.067 25.991 1.00 0.00 O ATOM 500 CB ALA A 32 58.328 -29.708 27.280 1.00 0.00 C ATOM 0 H ALA A 32 59.381 -30.043 24.884 1.00 0.00 H new ATOM 0 HA ALA A 32 56.921 -30.988 26.285 1.00 0.00 H new ATOM 0 HB1 ALA A 32 57.592 -29.334 27.992 1.00 0.00 H new ATOM 0 HB2 ALA A 32 58.875 -30.538 27.726 1.00 0.00 H new ATOM 0 HB3 ALA A 32 59.025 -28.909 27.025 1.00 0.00 H new ATOM 506 N LEU A 33 56.433 -29.279 24.064 1.00 0.00 N ATOM 507 CA LEU A 33 55.585 -28.372 23.242 1.00 0.00 C ATOM 508 C LEU A 33 54.276 -27.875 23.919 1.00 0.00 C ATOM 509 O LEU A 33 53.661 -26.908 23.447 1.00 0.00 O ATOM 510 CB LEU A 33 55.241 -29.047 21.880 1.00 0.00 C ATOM 511 CG LEU A 33 54.232 -30.255 21.900 1.00 0.00 C ATOM 512 CD1 LEU A 33 53.827 -30.655 20.470 1.00 0.00 C ATOM 513 CD2 LEU A 33 54.780 -31.481 22.670 1.00 0.00 C ATOM 0 H LEU A 33 56.741 -30.103 23.548 1.00 0.00 H new ATOM 0 HA LEU A 33 56.194 -27.479 23.102 1.00 0.00 H new ATOM 0 HB2 LEU A 33 54.836 -28.281 21.219 1.00 0.00 H new ATOM 0 HB3 LEU A 33 56.172 -29.394 21.432 1.00 0.00 H new ATOM 0 HG LEU A 33 53.348 -29.911 22.437 1.00 0.00 H new ATOM 0 HD11 LEU A 33 53.129 -31.492 20.510 1.00 0.00 H new ATOM 0 HD12 LEU A 33 53.350 -29.808 19.977 1.00 0.00 H new ATOM 0 HD13 LEU A 33 54.714 -30.949 19.909 1.00 0.00 H new ATOM 0 HD21 LEU A 33 54.042 -32.283 22.651 1.00 0.00 H new ATOM 0 HD22 LEU A 33 55.701 -31.824 22.199 1.00 0.00 H new ATOM 0 HD23 LEU A 33 54.984 -31.200 23.703 1.00 0.00 H new ATOM 525 N LEU A 34 53.833 -28.533 25.003 1.00 0.00 N ATOM 526 CA LEU A 34 52.664 -28.086 25.796 1.00 0.00 C ATOM 527 C LEU A 34 53.076 -27.781 27.241 1.00 0.00 C ATOM 528 O LEU A 34 52.513 -26.885 27.884 1.00 0.00 O ATOM 529 CB LEU A 34 51.547 -29.162 25.740 1.00 0.00 C ATOM 530 CG LEU A 34 50.961 -29.437 24.319 1.00 0.00 C ATOM 531 CD1 LEU A 34 49.938 -30.590 24.327 1.00 0.00 C ATOM 532 CD2 LEU A 34 50.353 -28.147 23.731 1.00 0.00 C ATOM 0 H LEU A 34 54.268 -29.385 25.357 1.00 0.00 H new ATOM 0 HA LEU A 34 52.273 -27.164 25.366 1.00 0.00 H new ATOM 0 HB2 LEU A 34 51.943 -30.096 26.139 1.00 0.00 H new ATOM 0 HB3 LEU A 34 50.734 -28.854 26.398 1.00 0.00 H new ATOM 0 HG LEU A 34 51.782 -29.755 23.677 1.00 0.00 H new ATOM 0 HD11 LEU A 34 49.557 -30.745 23.318 1.00 0.00 H new ATOM 0 HD12 LEU A 34 50.421 -31.502 24.677 1.00 0.00 H new ATOM 0 HD13 LEU A 34 49.112 -30.339 24.992 1.00 0.00 H new ATOM 0 HD21 LEU A 34 49.948 -28.354 22.740 1.00 0.00 H new ATOM 0 HD22 LEU A 34 49.554 -27.792 24.382 1.00 0.00 H new ATOM 0 HD23 LEU A 34 51.126 -27.382 23.655 1.00 0.00 H new ATOM 544 N GLY A 35 54.072 -28.524 27.733 1.00 0.00 N ATOM 545 CA GLY A 35 54.552 -28.390 29.105 1.00 0.00 C ATOM 546 C GLY A 35 53.510 -28.816 30.148 1.00 0.00 C ATOM 547 O GLY A 35 52.516 -29.466 29.791 1.00 0.00 O ATOM 0 H GLY A 35 54.565 -29.233 27.190 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.451 -28.993 29.230 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.836 -27.353 29.285 1.00 0.00 H new ATOM 551 N PRO A 36 53.714 -28.479 31.459 1.00 0.00 N ATOM 552 CA PRO A 36 52.702 -28.729 32.517 1.00 0.00 C ATOM 553 C PRO A 36 51.539 -27.709 32.463 1.00 0.00 C ATOM 554 O PRO A 36 50.507 -27.892 33.118 1.00 0.00 O ATOM 555 CB PRO A 36 53.525 -28.595 33.821 1.00 0.00 C ATOM 556 CG PRO A 36 54.603 -27.605 33.479 1.00 0.00 C ATOM 557 CD PRO A 36 54.943 -27.840 32.015 1.00 0.00 C ATOM 0 HA PRO A 36 52.213 -29.698 32.416 1.00 0.00 H new ATOM 0 HB2 PRO A 36 52.907 -28.241 34.647 1.00 0.00 H new ATOM 0 HB3 PRO A 36 53.947 -29.553 34.126 1.00 0.00 H new ATOM 0 HG2 PRO A 36 54.259 -26.583 33.640 1.00 0.00 H new ATOM 0 HG3 PRO A 36 55.479 -27.750 34.111 1.00 0.00 H new ATOM 0 HD2 PRO A 36 55.174 -26.906 31.503 1.00 0.00 H new ATOM 0 HD3 PRO A 36 55.814 -28.487 31.906 1.00 0.00 H new ATOM 565 N ASP A 37 51.713 -26.655 31.647 1.00 0.00 N ATOM 566 CA ASP A 37 50.758 -25.535 31.538 1.00 0.00 C ATOM 567 C ASP A 37 49.736 -25.802 30.423 1.00 0.00 C ATOM 568 O ASP A 37 48.633 -25.248 30.446 1.00 0.00 O ATOM 569 CB ASP A 37 51.521 -24.208 31.255 1.00 0.00 C ATOM 570 CG ASP A 37 52.498 -23.827 32.387 1.00 0.00 C ATOM 571 OD1 ASP A 37 53.533 -24.511 32.531 1.00 0.00 O ATOM 572 OD2 ASP A 37 52.235 -22.858 33.139 1.00 0.00 O ATOM 0 H ASP A 37 52.526 -26.554 31.039 1.00 0.00 H new ATOM 0 HA ASP A 37 50.223 -25.444 32.483 1.00 0.00 H new ATOM 0 HB2 ASP A 37 52.074 -24.304 30.321 1.00 0.00 H new ATOM 0 HB3 ASP A 37 50.800 -23.402 31.117 1.00 0.00 H new ATOM 577 N GLY A 38 50.116 -26.651 29.444 1.00 0.00 N ATOM 578 CA GLY A 38 49.272 -26.927 28.272 1.00 0.00 C ATOM 579 C GLY A 38 49.429 -25.872 27.172 1.00 0.00 C ATOM 580 O GLY A 38 48.894 -26.024 26.069 1.00 0.00 O ATOM 0 H GLY A 38 51.003 -27.155 29.446 1.00 0.00 H new ATOM 0 HA2 GLY A 38 49.526 -27.907 27.869 1.00 0.00 H new ATOM 0 HA3 GLY A 38 48.228 -26.970 28.583 1.00 0.00 H new ATOM 584 N LYS A 39 50.186 -24.810 27.477 1.00 0.00 N ATOM 585 CA LYS A 39 50.408 -23.673 26.579 1.00 0.00 C ATOM 586 C LYS A 39 51.776 -23.052 26.890 1.00 0.00 C ATOM 587 O LYS A 39 51.982 -22.501 27.977 1.00 0.00 O ATOM 588 CB LYS A 39 49.213 -22.649 26.677 1.00 0.00 C ATOM 589 CG LYS A 39 48.731 -22.266 28.113 1.00 0.00 C ATOM 590 CD LYS A 39 49.393 -20.982 28.682 1.00 0.00 C ATOM 591 CE LYS A 39 48.990 -20.710 30.136 1.00 0.00 C ATOM 592 NZ LYS A 39 49.660 -19.506 30.693 1.00 0.00 N ATOM 0 H LYS A 39 50.669 -24.717 28.371 1.00 0.00 H new ATOM 0 HA LYS A 39 50.429 -24.003 25.540 1.00 0.00 H new ATOM 0 HB2 LYS A 39 49.506 -21.734 26.162 1.00 0.00 H new ATOM 0 HB3 LYS A 39 48.364 -23.064 26.133 1.00 0.00 H new ATOM 0 HG2 LYS A 39 47.650 -22.128 28.097 1.00 0.00 H new ATOM 0 HG3 LYS A 39 48.936 -23.097 28.787 1.00 0.00 H new ATOM 0 HD2 LYS A 39 50.477 -21.078 28.620 1.00 0.00 H new ATOM 0 HD3 LYS A 39 49.113 -20.128 28.065 1.00 0.00 H new ATOM 0 HE2 LYS A 39 47.909 -20.580 30.193 1.00 0.00 H new ATOM 0 HE3 LYS A 39 49.239 -21.577 30.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 50.393 -19.799 31.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 50.098 -18.964 29.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 48.958 -18.912 31.179 1.00 0.00 H new ATOM 606 N VAL A 40 52.733 -23.218 25.956 1.00 0.00 N ATOM 607 CA VAL A 40 54.131 -22.752 26.126 1.00 0.00 C ATOM 608 C VAL A 40 54.728 -22.313 24.775 1.00 0.00 C ATOM 609 O VAL A 40 54.120 -22.518 23.710 1.00 0.00 O ATOM 610 CB VAL A 40 55.079 -23.861 26.744 1.00 0.00 C ATOM 611 CG1 VAL A 40 54.651 -24.307 28.164 1.00 0.00 C ATOM 612 CG2 VAL A 40 55.207 -25.070 25.799 1.00 0.00 C ATOM 0 H VAL A 40 52.563 -23.678 25.062 1.00 0.00 H new ATOM 0 HA VAL A 40 54.081 -21.912 26.819 1.00 0.00 H new ATOM 0 HB VAL A 40 56.060 -23.398 26.852 1.00 0.00 H new ATOM 0 HG11 VAL A 40 55.341 -25.067 28.530 1.00 0.00 H new ATOM 0 HG12 VAL A 40 54.668 -23.449 28.835 1.00 0.00 H new ATOM 0 HG13 VAL A 40 53.643 -24.719 28.127 1.00 0.00 H new ATOM 0 HG21 VAL A 40 55.863 -25.815 26.248 1.00 0.00 H new ATOM 0 HG22 VAL A 40 54.223 -25.507 25.632 1.00 0.00 H new ATOM 0 HG23 VAL A 40 55.626 -24.745 24.847 1.00 0.00 H new ATOM 622 N ILE A 41 55.933 -21.713 24.837 1.00 0.00 N ATOM 623 CA ILE A 41 56.728 -21.396 23.649 1.00 0.00 C ATOM 624 C ILE A 41 57.703 -22.568 23.351 1.00 0.00 C ATOM 625 O ILE A 41 58.574 -22.890 24.159 1.00 0.00 O ATOM 626 CB ILE A 41 57.532 -20.056 23.819 1.00 0.00 C ATOM 627 CG1 ILE A 41 56.572 -18.867 24.113 1.00 0.00 C ATOM 628 CG2 ILE A 41 58.389 -19.768 22.569 1.00 0.00 C ATOM 629 CD1 ILE A 41 57.253 -17.517 24.278 1.00 0.00 C ATOM 0 H ILE A 41 56.376 -21.438 25.713 1.00 0.00 H new ATOM 0 HA ILE A 41 56.043 -21.260 22.812 1.00 0.00 H new ATOM 0 HB ILE A 41 58.201 -20.171 24.672 1.00 0.00 H new ATOM 0 HG12 ILE A 41 55.848 -18.795 23.302 1.00 0.00 H new ATOM 0 HG13 ILE A 41 56.012 -19.088 25.022 1.00 0.00 H new ATOM 0 HG21 ILE A 41 58.936 -18.836 22.710 1.00 0.00 H new ATOM 0 HG22 ILE A 41 59.095 -20.584 22.416 1.00 0.00 H new ATOM 0 HG23 ILE A 41 57.742 -19.680 21.696 1.00 0.00 H new ATOM 0 HD11 ILE A 41 56.502 -16.753 24.480 1.00 0.00 H new ATOM 0 HD12 ILE A 41 57.956 -17.563 25.110 1.00 0.00 H new ATOM 0 HD13 ILE A 41 57.789 -17.266 23.363 1.00 0.00 H new ATOM 641 N ILE A 42 57.502 -23.201 22.198 1.00 0.00 N ATOM 642 CA ILE A 42 58.364 -24.248 21.649 1.00 0.00 C ATOM 643 C ILE A 42 59.711 -23.640 21.240 1.00 0.00 C ATOM 644 O ILE A 42 59.747 -22.569 20.638 1.00 0.00 O ATOM 645 CB ILE A 42 57.694 -24.926 20.379 1.00 0.00 C ATOM 646 CG1 ILE A 42 56.418 -25.752 20.735 1.00 0.00 C ATOM 647 CG2 ILE A 42 58.689 -25.823 19.605 1.00 0.00 C ATOM 648 CD1 ILE A 42 55.283 -24.980 21.359 1.00 0.00 C ATOM 0 H ILE A 42 56.705 -22.992 21.597 1.00 0.00 H new ATOM 0 HA ILE A 42 58.511 -25.008 22.416 1.00 0.00 H new ATOM 0 HB ILE A 42 57.393 -24.097 19.738 1.00 0.00 H new ATOM 0 HG12 ILE A 42 56.051 -26.227 19.825 1.00 0.00 H new ATOM 0 HG13 ILE A 42 56.706 -26.552 21.418 1.00 0.00 H new ATOM 0 HG21 ILE A 42 58.187 -26.266 18.745 1.00 0.00 H new ATOM 0 HG22 ILE A 42 59.531 -25.221 19.263 1.00 0.00 H new ATOM 0 HG23 ILE A 42 59.051 -26.615 20.261 1.00 0.00 H new ATOM 0 HD11 ILE A 42 54.452 -25.656 21.563 1.00 0.00 H new ATOM 0 HD12 ILE A 42 55.620 -24.528 22.292 1.00 0.00 H new ATOM 0 HD13 ILE A 42 54.955 -24.198 20.674 1.00 0.00 H new ATOM 660 N ASP A 43 60.794 -24.339 21.583 1.00 0.00 N ATOM 661 CA ASP A 43 62.157 -24.021 21.148 1.00 0.00 C ATOM 662 C ASP A 43 62.660 -25.162 20.264 1.00 0.00 C ATOM 663 O ASP A 43 62.734 -26.315 20.717 1.00 0.00 O ATOM 664 CB ASP A 43 63.087 -23.835 22.375 1.00 0.00 C ATOM 665 CG ASP A 43 64.542 -23.499 21.991 1.00 0.00 C ATOM 666 OD1 ASP A 43 64.787 -22.383 21.477 1.00 0.00 O ATOM 667 OD2 ASP A 43 65.439 -24.353 22.178 1.00 0.00 O ATOM 0 H ASP A 43 60.748 -25.161 22.185 1.00 0.00 H new ATOM 0 HA ASP A 43 62.158 -23.088 20.584 1.00 0.00 H new ATOM 0 HB2 ASP A 43 62.691 -23.038 23.005 1.00 0.00 H new ATOM 0 HB3 ASP A 43 63.077 -24.747 22.971 1.00 0.00 H new ATOM 672 N HIS A 44 62.967 -24.843 18.993 1.00 0.00 N ATOM 673 CA HIS A 44 63.495 -25.828 18.034 1.00 0.00 C ATOM 674 C HIS A 44 64.365 -25.147 16.965 1.00 0.00 C ATOM 675 O HIS A 44 63.856 -24.359 16.157 1.00 0.00 O ATOM 676 CB HIS A 44 62.348 -26.636 17.367 1.00 0.00 C ATOM 677 CG HIS A 44 62.834 -27.786 16.506 1.00 0.00 C ATOM 678 ND1 HIS A 44 63.211 -29.004 17.031 1.00 0.00 N ATOM 679 CD2 HIS A 44 63.051 -27.884 15.163 1.00 0.00 C ATOM 680 CE1 HIS A 44 63.631 -29.790 16.059 1.00 0.00 C ATOM 681 NE2 HIS A 44 63.546 -29.139 14.921 1.00 0.00 N ATOM 0 H HIS A 44 62.857 -23.906 18.606 1.00 0.00 H new ATOM 0 HA HIS A 44 64.120 -26.525 18.592 1.00 0.00 H new ATOM 0 HB2 HIS A 44 61.692 -27.028 18.144 1.00 0.00 H new ATOM 0 HB3 HIS A 44 61.750 -25.962 16.754 1.00 0.00 H new ATOM 0 HD2 HIS A 44 62.867 -27.115 14.427 1.00 0.00 H new ATOM 0 HE1 HIS A 44 63.987 -30.803 16.179 1.00 0.00 H new ATOM 0 HE2 HIS A 44 63.806 -29.508 14.006 1.00 0.00 H new ATOM 690 N ASN A 45 65.679 -25.469 16.991 1.00 0.00 N ATOM 691 CA ASN A 45 66.667 -25.075 15.960 1.00 0.00 C ATOM 692 C ASN A 45 66.829 -23.525 15.903 1.00 0.00 C ATOM 693 O ASN A 45 67.170 -22.940 14.867 1.00 0.00 O ATOM 694 CB ASN A 45 66.271 -25.702 14.582 1.00 0.00 C ATOM 695 CG ASN A 45 67.405 -25.715 13.552 1.00 0.00 C ATOM 696 OD1 ASN A 45 68.200 -26.655 13.490 1.00 0.00 O ATOM 697 ND2 ASN A 45 67.488 -24.682 12.735 1.00 0.00 N ATOM 0 H ASN A 45 66.090 -26.021 17.744 1.00 0.00 H new ATOM 0 HA ASN A 45 67.648 -25.468 16.226 1.00 0.00 H new ATOM 0 HB2 ASN A 45 65.931 -26.725 14.745 1.00 0.00 H new ATOM 0 HB3 ASN A 45 65.428 -25.147 14.171 1.00 0.00 H new ATOM 0 HD21 ASN A 45 68.224 -24.648 12.029 1.00 0.00 H new ATOM 0 HD22 ASN A 45 66.816 -23.918 12.809 1.00 0.00 H new ATOM 704 N GLY A 46 66.600 -22.875 17.063 1.00 0.00 N ATOM 705 CA GLY A 46 66.712 -21.414 17.194 1.00 0.00 C ATOM 706 C GLY A 46 65.444 -20.656 16.804 1.00 0.00 C ATOM 707 O GLY A 46 65.425 -19.415 16.825 1.00 0.00 O ATOM 0 H GLY A 46 66.334 -23.347 17.927 1.00 0.00 H new ATOM 0 HA2 GLY A 46 66.966 -21.170 18.226 1.00 0.00 H new ATOM 0 HA3 GLY A 46 67.537 -21.066 16.572 1.00 0.00 H new ATOM 711 N GLN A 47 64.382 -21.396 16.447 1.00 0.00 N ATOM 712 CA GLN A 47 63.078 -20.827 16.057 1.00 0.00 C ATOM 713 C GLN A 47 62.041 -21.156 17.143 1.00 0.00 C ATOM 714 O GLN A 47 61.904 -22.325 17.545 1.00 0.00 O ATOM 715 CB GLN A 47 62.636 -21.397 14.673 1.00 0.00 C ATOM 716 CG GLN A 47 63.658 -21.183 13.536 1.00 0.00 C ATOM 717 CD GLN A 47 63.966 -19.706 13.254 1.00 0.00 C ATOM 718 OE1 GLN A 47 63.110 -18.828 13.415 1.00 0.00 O ATOM 719 NE2 GLN A 47 65.195 -19.422 12.844 1.00 0.00 N ATOM 0 H GLN A 47 64.403 -22.415 16.420 1.00 0.00 H new ATOM 0 HA GLN A 47 63.161 -19.744 15.963 1.00 0.00 H new ATOM 0 HB2 GLN A 47 62.447 -22.465 14.778 1.00 0.00 H new ATOM 0 HB3 GLN A 47 61.692 -20.933 14.388 1.00 0.00 H new ATOM 0 HG2 GLN A 47 64.585 -21.696 13.791 1.00 0.00 H new ATOM 0 HG3 GLN A 47 63.278 -21.646 12.625 1.00 0.00 H new ATOM 0 HE21 GLN A 47 65.877 -20.170 12.721 1.00 0.00 H new ATOM 0 HE22 GLN A 47 65.458 -18.455 12.651 1.00 0.00 H new ATOM 728 N GLU A 48 61.322 -20.125 17.624 1.00 0.00 N ATOM 729 CA GLU A 48 60.361 -20.257 18.734 1.00 0.00 C ATOM 730 C GLU A 48 58.920 -20.026 18.245 1.00 0.00 C ATOM 731 O GLU A 48 58.669 -19.136 17.430 1.00 0.00 O ATOM 732 CB GLU A 48 60.734 -19.284 19.878 1.00 0.00 C ATOM 733 CG GLU A 48 60.522 -17.787 19.608 1.00 0.00 C ATOM 734 CD GLU A 48 60.999 -16.897 20.774 1.00 0.00 C ATOM 735 OE1 GLU A 48 60.412 -16.966 21.879 1.00 0.00 O ATOM 736 OE2 GLU A 48 61.974 -16.133 20.599 1.00 0.00 O ATOM 0 H GLU A 48 61.391 -19.177 17.254 1.00 0.00 H new ATOM 0 HA GLU A 48 60.412 -21.274 19.122 1.00 0.00 H new ATOM 0 HB2 GLU A 48 60.153 -19.556 20.759 1.00 0.00 H new ATOM 0 HB3 GLU A 48 61.784 -19.439 20.128 1.00 0.00 H new ATOM 0 HG2 GLU A 48 61.057 -17.507 18.700 1.00 0.00 H new ATOM 0 HG3 GLU A 48 59.464 -17.602 19.425 1.00 0.00 H new ATOM 743 N TYR A 49 57.975 -20.864 18.725 1.00 0.00 N ATOM 744 CA TYR A 49 56.543 -20.796 18.323 1.00 0.00 C ATOM 745 C TYR A 49 55.674 -20.923 19.585 1.00 0.00 C ATOM 746 O TYR A 49 56.072 -21.596 20.509 1.00 0.00 O ATOM 747 CB TYR A 49 56.166 -21.937 17.304 1.00 0.00 C ATOM 748 CG TYR A 49 57.339 -22.553 16.507 1.00 0.00 C ATOM 749 CD1 TYR A 49 57.993 -21.844 15.496 1.00 0.00 C ATOM 750 CD2 TYR A 49 57.795 -23.843 16.784 1.00 0.00 C ATOM 751 CE1 TYR A 49 59.056 -22.397 14.812 1.00 0.00 C ATOM 752 CE2 TYR A 49 58.854 -24.400 16.097 1.00 0.00 C ATOM 753 CZ TYR A 49 59.480 -23.675 15.114 1.00 0.00 C ATOM 754 OH TYR A 49 60.548 -24.228 14.435 1.00 0.00 O ATOM 0 H TYR A 49 58.176 -21.604 19.398 1.00 0.00 H new ATOM 0 HA TYR A 49 56.367 -19.842 17.826 1.00 0.00 H new ATOM 0 HB2 TYR A 49 55.667 -22.736 17.853 1.00 0.00 H new ATOM 0 HB3 TYR A 49 55.442 -21.537 16.594 1.00 0.00 H new ATOM 0 HD1 TYR A 49 57.661 -20.847 15.246 1.00 0.00 H new ATOM 0 HD2 TYR A 49 57.306 -24.420 17.556 1.00 0.00 H new ATOM 0 HE1 TYR A 49 59.556 -21.830 14.041 1.00 0.00 H new ATOM 0 HE2 TYR A 49 59.188 -25.400 16.331 1.00 0.00 H new ATOM 0 HH TYR A 49 60.716 -25.133 14.771 1.00 0.00 H new ATOM 764 N LEU A 50 54.485 -20.309 19.615 1.00 0.00 N ATOM 765 CA LEU A 50 53.554 -20.424 20.770 1.00 0.00 C ATOM 766 C LEU A 50 52.457 -21.458 20.433 1.00 0.00 C ATOM 767 O LEU A 50 51.605 -21.191 19.593 1.00 0.00 O ATOM 768 CB LEU A 50 52.964 -19.008 21.102 1.00 0.00 C ATOM 769 CG LEU A 50 52.066 -18.831 22.398 1.00 0.00 C ATOM 770 CD1 LEU A 50 50.625 -19.383 22.244 1.00 0.00 C ATOM 771 CD2 LEU A 50 52.759 -19.419 23.654 1.00 0.00 C ATOM 0 H LEU A 50 54.134 -19.724 18.857 1.00 0.00 H new ATOM 0 HA LEU A 50 54.077 -20.776 21.659 1.00 0.00 H new ATOM 0 HB2 LEU A 50 53.801 -18.315 21.185 1.00 0.00 H new ATOM 0 HB3 LEU A 50 52.370 -18.690 20.245 1.00 0.00 H new ATOM 0 HG LEU A 50 51.960 -17.755 22.533 1.00 0.00 H new ATOM 0 HD11 LEU A 50 50.074 -19.225 23.171 1.00 0.00 H new ATOM 0 HD12 LEU A 50 50.121 -18.863 21.429 1.00 0.00 H new ATOM 0 HD13 LEU A 50 50.666 -20.450 22.023 1.00 0.00 H new ATOM 0 HD21 LEU A 50 52.116 -19.280 24.523 1.00 0.00 H new ATOM 0 HD22 LEU A 50 52.942 -20.483 23.504 1.00 0.00 H new ATOM 0 HD23 LEU A 50 53.707 -18.908 23.819 1.00 0.00 H new ATOM 783 N LEU A 51 52.482 -22.633 21.083 1.00 0.00 N ATOM 784 CA LEU A 51 51.418 -23.652 20.941 1.00 0.00 C ATOM 785 C LEU A 51 50.603 -23.665 22.226 1.00 0.00 C ATOM 786 O LEU A 51 51.163 -23.807 23.326 1.00 0.00 O ATOM 787 CB LEU A 51 51.991 -25.065 20.649 1.00 0.00 C ATOM 788 CG LEU A 51 50.959 -26.213 20.381 1.00 0.00 C ATOM 789 CD1 LEU A 51 50.100 -25.923 19.141 1.00 0.00 C ATOM 790 CD2 LEU A 51 51.668 -27.577 20.253 1.00 0.00 C ATOM 0 H LEU A 51 53.232 -22.906 21.718 1.00 0.00 H new ATOM 0 HA LEU A 51 50.792 -23.391 20.088 1.00 0.00 H new ATOM 0 HB2 LEU A 51 52.647 -24.991 19.782 1.00 0.00 H new ATOM 0 HB3 LEU A 51 52.612 -25.359 21.495 1.00 0.00 H new ATOM 0 HG LEU A 51 50.291 -26.258 21.241 1.00 0.00 H new ATOM 0 HD11 LEU A 51 49.396 -26.741 18.987 1.00 0.00 H new ATOM 0 HD12 LEU A 51 49.550 -24.994 19.289 1.00 0.00 H new ATOM 0 HD13 LEU A 51 50.744 -25.828 18.266 1.00 0.00 H new ATOM 0 HD21 LEU A 51 50.928 -28.356 20.067 1.00 0.00 H new ATOM 0 HD22 LEU A 51 52.375 -27.543 19.424 1.00 0.00 H new ATOM 0 HD23 LEU A 51 52.203 -27.797 21.177 1.00 0.00 H new ATOM 802 N ARG A 52 49.288 -23.503 22.076 1.00 0.00 N ATOM 803 CA ARG A 52 48.361 -23.432 23.200 1.00 0.00 C ATOM 804 C ARG A 52 47.185 -24.390 22.988 1.00 0.00 C ATOM 805 O ARG A 52 46.636 -24.482 21.883 1.00 0.00 O ATOM 806 CB ARG A 52 47.861 -21.973 23.381 1.00 0.00 C ATOM 807 CG ARG A 52 47.177 -21.361 22.146 1.00 0.00 C ATOM 808 CD ARG A 52 46.571 -19.983 22.422 1.00 0.00 C ATOM 809 NE ARG A 52 45.430 -20.054 23.361 1.00 0.00 N ATOM 810 CZ ARG A 52 45.263 -19.288 24.458 1.00 0.00 C ATOM 811 NH1 ARG A 52 46.180 -18.388 24.812 1.00 0.00 N ATOM 812 NH2 ARG A 52 44.166 -19.426 25.185 1.00 0.00 N ATOM 0 H ARG A 52 48.836 -23.417 21.166 1.00 0.00 H new ATOM 0 HA ARG A 52 48.882 -23.736 24.108 1.00 0.00 H new ATOM 0 HB2 ARG A 52 47.161 -21.946 24.216 1.00 0.00 H new ATOM 0 HB3 ARG A 52 48.709 -21.346 23.656 1.00 0.00 H new ATOM 0 HG2 ARG A 52 47.904 -21.277 21.338 1.00 0.00 H new ATOM 0 HG3 ARG A 52 46.393 -22.034 21.800 1.00 0.00 H new ATOM 0 HD2 ARG A 52 47.338 -19.326 22.833 1.00 0.00 H new ATOM 0 HD3 ARG A 52 46.240 -19.538 21.483 1.00 0.00 H new ATOM 0 HE ARG A 52 44.705 -20.743 23.161 1.00 0.00 H new ATOM 0 HH11 ARG A 52 47.023 -18.271 24.250 1.00 0.00 H new ATOM 0 HH12 ARG A 52 46.039 -17.816 25.645 1.00 0.00 H new ATOM 0 HH21 ARG A 52 43.457 -20.107 24.914 1.00 0.00 H new ATOM 0 HH22 ARG A 52 44.030 -18.852 26.017 1.00 0.00 H new ATOM 826 N LYS A 53 46.826 -25.119 24.048 1.00 0.00 N ATOM 827 CA LYS A 53 45.599 -25.915 24.086 1.00 0.00 C ATOM 828 C LYS A 53 44.417 -24.975 24.320 1.00 0.00 C ATOM 829 O LYS A 53 44.277 -24.407 25.413 1.00 0.00 O ATOM 830 CB LYS A 53 45.669 -27.003 25.199 1.00 0.00 C ATOM 831 CG LYS A 53 46.704 -28.118 24.935 1.00 0.00 C ATOM 832 CD LYS A 53 46.808 -29.148 26.079 1.00 0.00 C ATOM 833 CE LYS A 53 45.505 -29.918 26.306 1.00 0.00 C ATOM 834 NZ LYS A 53 45.674 -30.987 27.327 1.00 0.00 N ATOM 0 H LYS A 53 47.379 -25.173 24.904 1.00 0.00 H new ATOM 0 HA LYS A 53 45.475 -26.435 23.136 1.00 0.00 H new ATOM 0 HB2 LYS A 53 45.906 -26.521 26.147 1.00 0.00 H new ATOM 0 HB3 LYS A 53 44.684 -27.457 25.309 1.00 0.00 H new ATOM 0 HG2 LYS A 53 46.440 -28.637 24.013 1.00 0.00 H new ATOM 0 HG3 LYS A 53 47.682 -27.664 24.776 1.00 0.00 H new ATOM 0 HD2 LYS A 53 47.607 -29.854 25.854 1.00 0.00 H new ATOM 0 HD3 LYS A 53 47.086 -28.635 26.999 1.00 0.00 H new ATOM 0 HE2 LYS A 53 44.724 -29.228 26.626 1.00 0.00 H new ATOM 0 HE3 LYS A 53 45.174 -30.360 25.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 44.772 -31.489 27.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 46.402 -31.659 27.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 45.966 -30.562 28.230 1.00 0.00 H new ATOM 848 N THR A 54 43.606 -24.770 23.271 1.00 0.00 N ATOM 849 CA THR A 54 42.379 -23.987 23.377 1.00 0.00 C ATOM 850 C THR A 54 41.365 -24.826 24.165 1.00 0.00 C ATOM 851 O THR A 54 41.282 -26.055 23.960 1.00 0.00 O ATOM 852 CB THR A 54 41.790 -23.602 21.971 1.00 0.00 C ATOM 853 OG1 THR A 54 41.223 -24.751 21.334 1.00 0.00 O ATOM 854 CG2 THR A 54 42.859 -22.997 21.049 1.00 0.00 C ATOM 0 H THR A 54 43.785 -25.140 22.338 1.00 0.00 H new ATOM 0 HA THR A 54 42.597 -23.048 23.885 1.00 0.00 H new ATOM 0 HB THR A 54 41.017 -22.853 22.144 1.00 0.00 H new ATOM 0 HG1 THR A 54 40.607 -24.463 20.629 1.00 0.00 H new ATOM 0 HG21 THR A 54 42.410 -22.745 20.088 1.00 0.00 H new ATOM 0 HG22 THR A 54 43.266 -22.096 21.507 1.00 0.00 H new ATOM 0 HG23 THR A 54 43.660 -23.720 20.897 1.00 0.00 H new ATOM 862 N GLN A 55 40.611 -24.167 25.061 1.00 0.00 N ATOM 863 CA GLN A 55 39.618 -24.847 25.926 1.00 0.00 C ATOM 864 C GLN A 55 38.358 -25.254 25.114 1.00 0.00 C ATOM 865 O GLN A 55 37.458 -25.923 25.627 1.00 0.00 O ATOM 866 CB GLN A 55 39.276 -23.959 27.158 1.00 0.00 C ATOM 867 CG GLN A 55 38.464 -24.675 28.262 1.00 0.00 C ATOM 868 CD GLN A 55 38.232 -23.824 29.509 1.00 0.00 C ATOM 869 OE1 GLN A 55 39.057 -22.972 29.861 1.00 0.00 O ATOM 870 NE2 GLN A 55 37.119 -24.049 30.192 1.00 0.00 N ATOM 0 H GLN A 55 40.667 -23.159 25.209 1.00 0.00 H new ATOM 0 HA GLN A 55 40.053 -25.772 26.306 1.00 0.00 H new ATOM 0 HB2 GLN A 55 40.205 -23.588 27.591 1.00 0.00 H new ATOM 0 HB3 GLN A 55 38.714 -23.089 26.818 1.00 0.00 H new ATOM 0 HG2 GLN A 55 37.499 -24.974 27.853 1.00 0.00 H new ATOM 0 HG3 GLN A 55 38.986 -25.588 28.549 1.00 0.00 H new ATOM 0 HE21 GLN A 55 36.460 -24.759 29.873 1.00 0.00 H new ATOM 0 HE22 GLN A 55 36.921 -23.512 31.036 1.00 0.00 H new ATOM 879 N ALA A 56 38.321 -24.851 23.825 1.00 0.00 N ATOM 880 CA ALA A 56 37.378 -25.395 22.824 1.00 0.00 C ATOM 881 C ALA A 56 37.656 -26.896 22.566 1.00 0.00 C ATOM 882 O ALA A 56 36.767 -27.646 22.135 1.00 0.00 O ATOM 883 CB ALA A 56 37.489 -24.593 21.517 1.00 0.00 C ATOM 0 H ALA A 56 38.946 -24.138 23.449 1.00 0.00 H new ATOM 0 HA ALA A 56 36.363 -25.304 23.212 1.00 0.00 H new ATOM 0 HB1 ALA A 56 36.793 -24.997 20.782 1.00 0.00 H new ATOM 0 HB2 ALA A 56 37.247 -23.548 21.710 1.00 0.00 H new ATOM 0 HB3 ALA A 56 38.506 -24.665 21.131 1.00 0.00 H new ATOM 889 N GLY A 57 38.909 -27.309 22.845 1.00 0.00 N ATOM 890 CA GLY A 57 39.360 -28.696 22.713 1.00 0.00 C ATOM 891 C GLY A 57 40.313 -28.884 21.549 1.00 0.00 C ATOM 892 O GLY A 57 40.286 -29.925 20.878 1.00 0.00 O ATOM 0 H GLY A 57 39.639 -26.676 23.172 1.00 0.00 H new ATOM 0 HA2 GLY A 57 39.852 -29.005 23.635 1.00 0.00 H new ATOM 0 HA3 GLY A 57 38.495 -29.346 22.580 1.00 0.00 H new ATOM 896 N LYS A 58 41.184 -27.880 21.311 1.00 0.00 N ATOM 897 CA LYS A 58 42.088 -27.877 20.132 1.00 0.00 C ATOM 898 C LYS A 58 43.526 -27.492 20.527 1.00 0.00 C ATOM 899 O LYS A 58 43.814 -27.194 21.690 1.00 0.00 O ATOM 900 CB LYS A 58 41.589 -26.880 19.040 1.00 0.00 C ATOM 901 CG LYS A 58 40.130 -27.058 18.570 1.00 0.00 C ATOM 902 CD LYS A 58 39.736 -26.022 17.488 1.00 0.00 C ATOM 903 CE LYS A 58 39.897 -24.567 17.972 1.00 0.00 C ATOM 904 NZ LYS A 58 39.614 -23.582 16.897 1.00 0.00 N ATOM 0 H LYS A 58 41.283 -27.063 21.914 1.00 0.00 H new ATOM 0 HA LYS A 58 42.082 -28.891 19.732 1.00 0.00 H new ATOM 0 HB2 LYS A 58 41.704 -25.866 19.424 1.00 0.00 H new ATOM 0 HB3 LYS A 58 42.242 -26.968 18.172 1.00 0.00 H new ATOM 0 HG2 LYS A 58 39.998 -28.064 18.173 1.00 0.00 H new ATOM 0 HG3 LYS A 58 39.460 -26.962 19.424 1.00 0.00 H new ATOM 0 HD2 LYS A 58 40.352 -26.176 16.602 1.00 0.00 H new ATOM 0 HD3 LYS A 58 38.701 -26.189 17.190 1.00 0.00 H new ATOM 0 HE2 LYS A 58 39.225 -24.389 18.811 1.00 0.00 H new ATOM 0 HE3 LYS A 58 40.912 -24.419 18.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 39.735 -22.618 17.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 40.272 -23.733 16.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 38.637 -23.704 16.563 1.00 0.00 H new ATOM 918 N LEU A 59 44.415 -27.515 19.521 1.00 0.00 N ATOM 919 CA LEU A 59 45.787 -26.984 19.590 1.00 0.00 C ATOM 920 C LEU A 59 45.891 -25.783 18.631 1.00 0.00 C ATOM 921 O LEU A 59 45.355 -25.833 17.512 1.00 0.00 O ATOM 922 CB LEU A 59 46.811 -28.090 19.204 1.00 0.00 C ATOM 923 CG LEU A 59 46.954 -29.262 20.224 1.00 0.00 C ATOM 924 CD1 LEU A 59 47.808 -30.408 19.654 1.00 0.00 C ATOM 925 CD2 LEU A 59 47.535 -28.761 21.554 1.00 0.00 C ATOM 0 H LEU A 59 44.193 -27.916 18.610 1.00 0.00 H new ATOM 0 HA LEU A 59 46.015 -26.661 20.606 1.00 0.00 H new ATOM 0 HB2 LEU A 59 46.523 -28.506 18.238 1.00 0.00 H new ATOM 0 HB3 LEU A 59 47.788 -27.625 19.072 1.00 0.00 H new ATOM 0 HG LEU A 59 45.955 -29.657 20.411 1.00 0.00 H new ATOM 0 HD11 LEU A 59 47.885 -31.206 20.392 1.00 0.00 H new ATOM 0 HD12 LEU A 59 47.340 -30.795 18.749 1.00 0.00 H new ATOM 0 HD13 LEU A 59 48.804 -30.036 19.416 1.00 0.00 H new ATOM 0 HD21 LEU A 59 47.625 -29.596 22.249 1.00 0.00 H new ATOM 0 HD22 LEU A 59 48.519 -28.325 21.380 1.00 0.00 H new ATOM 0 HD23 LEU A 59 46.874 -28.006 21.978 1.00 0.00 H new ATOM 937 N LEU A 60 46.578 -24.713 19.058 1.00 0.00 N ATOM 938 CA LEU A 60 46.654 -23.457 18.295 1.00 0.00 C ATOM 939 C LEU A 60 48.118 -22.978 18.242 1.00 0.00 C ATOM 940 O LEU A 60 48.648 -22.486 19.241 1.00 0.00 O ATOM 941 CB LEU A 60 45.740 -22.389 18.955 1.00 0.00 C ATOM 942 CG LEU A 60 45.367 -21.160 18.074 1.00 0.00 C ATOM 943 CD1 LEU A 60 44.406 -21.562 16.942 1.00 0.00 C ATOM 944 CD2 LEU A 60 44.775 -20.033 18.927 1.00 0.00 C ATOM 0 H LEU A 60 47.094 -24.693 19.937 1.00 0.00 H new ATOM 0 HA LEU A 60 46.307 -23.620 17.275 1.00 0.00 H new ATOM 0 HB2 LEU A 60 44.817 -22.876 19.271 1.00 0.00 H new ATOM 0 HB3 LEU A 60 46.234 -22.026 19.857 1.00 0.00 H new ATOM 0 HG LEU A 60 46.282 -20.786 17.615 1.00 0.00 H new ATOM 0 HD11 LEU A 60 44.162 -20.685 16.343 1.00 0.00 H new ATOM 0 HD12 LEU A 60 44.882 -22.312 16.310 1.00 0.00 H new ATOM 0 HD13 LEU A 60 43.492 -21.974 17.370 1.00 0.00 H new ATOM 0 HD21 LEU A 60 44.523 -19.187 18.288 1.00 0.00 H new ATOM 0 HD22 LEU A 60 43.875 -20.390 19.428 1.00 0.00 H new ATOM 0 HD23 LEU A 60 45.505 -19.719 19.673 1.00 0.00 H new ATOM 956 N LEU A 61 48.775 -23.202 17.093 1.00 0.00 N ATOM 957 CA LEU A 61 50.156 -22.741 16.841 1.00 0.00 C ATOM 958 C LEU A 61 50.086 -21.299 16.312 1.00 0.00 C ATOM 959 O LEU A 61 49.442 -21.034 15.292 1.00 0.00 O ATOM 960 CB LEU A 61 50.870 -23.700 15.826 1.00 0.00 C ATOM 961 CG LEU A 61 52.449 -23.709 15.787 1.00 0.00 C ATOM 962 CD1 LEU A 61 53.054 -22.393 15.243 1.00 0.00 C ATOM 963 CD2 LEU A 61 53.033 -24.058 17.176 1.00 0.00 C ATOM 0 H LEU A 61 48.365 -23.709 16.308 1.00 0.00 H new ATOM 0 HA LEU A 61 50.743 -22.757 17.759 1.00 0.00 H new ATOM 0 HB2 LEU A 61 50.537 -24.716 16.038 1.00 0.00 H new ATOM 0 HB3 LEU A 61 50.514 -23.450 14.826 1.00 0.00 H new ATOM 0 HG LEU A 61 52.735 -24.489 15.081 1.00 0.00 H new ATOM 0 HD11 LEU A 61 54.142 -22.465 15.243 1.00 0.00 H new ATOM 0 HD12 LEU A 61 52.701 -22.224 14.226 1.00 0.00 H new ATOM 0 HD13 LEU A 61 52.746 -21.562 15.877 1.00 0.00 H new ATOM 0 HD21 LEU A 61 54.122 -24.058 17.123 1.00 0.00 H new ATOM 0 HD22 LEU A 61 52.705 -23.317 17.905 1.00 0.00 H new ATOM 0 HD23 LEU A 61 52.685 -25.045 17.480 1.00 0.00 H new ATOM 975 N THR A 62 50.744 -20.381 17.019 1.00 0.00 N ATOM 976 CA THR A 62 50.741 -18.954 16.708 1.00 0.00 C ATOM 977 C THR A 62 52.186 -18.425 16.692 1.00 0.00 C ATOM 978 O THR A 62 53.089 -19.037 17.283 1.00 0.00 O ATOM 979 CB THR A 62 49.884 -18.152 17.748 1.00 0.00 C ATOM 980 OG1 THR A 62 50.385 -18.364 19.082 1.00 0.00 O ATOM 981 CG2 THR A 62 48.383 -18.525 17.698 1.00 0.00 C ATOM 0 H THR A 62 51.304 -20.614 17.839 1.00 0.00 H new ATOM 0 HA THR A 62 50.293 -18.815 15.724 1.00 0.00 H new ATOM 0 HB THR A 62 49.973 -17.100 17.478 1.00 0.00 H new ATOM 0 HG1 THR A 62 50.212 -17.568 19.627 1.00 0.00 H new ATOM 0 HG21 THR A 62 47.838 -17.940 18.439 1.00 0.00 H new ATOM 0 HG22 THR A 62 47.988 -18.312 16.705 1.00 0.00 H new ATOM 0 HG23 THR A 62 48.264 -19.586 17.915 1.00 0.00 H new ATOM 989 N LYS A 63 52.394 -17.291 16.010 1.00 0.00 N ATOM 990 CA LYS A 63 53.716 -16.656 15.841 1.00 0.00 C ATOM 991 C LYS A 63 53.595 -15.146 16.162 1.00 0.00 C ATOM 992 O LYS A 63 53.218 -14.362 15.264 1.00 0.00 O ATOM 993 CB LYS A 63 54.234 -16.906 14.387 1.00 0.00 C ATOM 994 CG LYS A 63 54.760 -18.335 14.127 1.00 0.00 C ATOM 995 CD LYS A 63 56.105 -18.622 14.840 1.00 0.00 C ATOM 996 CE LYS A 63 57.239 -17.739 14.300 1.00 0.00 C ATOM 997 NZ LYS A 63 58.520 -17.978 15.004 1.00 0.00 N ATOM 998 OXT LYS A 63 53.847 -14.753 17.318 1.00 0.00 O ATOM 0 H LYS A 63 51.640 -16.778 15.552 1.00 0.00 H new ATOM 0 HA LYS A 63 54.442 -17.091 16.528 1.00 0.00 H new ATOM 0 HB2 LYS A 63 53.425 -16.698 13.687 1.00 0.00 H new ATOM 0 HB3 LYS A 63 55.032 -16.195 14.173 1.00 0.00 H new ATOM 0 HG2 LYS A 63 54.016 -19.057 14.462 1.00 0.00 H new ATOM 0 HG3 LYS A 63 54.885 -18.481 13.054 1.00 0.00 H new ATOM 0 HD2 LYS A 63 55.992 -18.453 15.911 1.00 0.00 H new ATOM 0 HD3 LYS A 63 56.368 -19.672 14.709 1.00 0.00 H new ATOM 0 HE2 LYS A 63 57.371 -17.931 13.235 1.00 0.00 H new ATOM 0 HE3 LYS A 63 56.960 -16.690 14.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 58.873 -17.082 15.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 58.370 -18.658 15.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 59.217 -18.362 14.335 1.00 0.00 H new TER 1012 LYS A 63