USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 55 THR OG1 : rot 113:sc= 0.75 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.642 USER MOD Set 2.1: A 7 THR OG1 : rot 129:sc= 0.211 USER MOD Set 2.2: A 9 THR OG1 : rot -160:sc= -1.31 USER MOD Single : A 1 MET CE :methyl -155:sc= 0 (180deg=-0.417) USER MOD Single : A 1 MET N :NH3+ 148:sc= 1.11 (180deg=-0.0168) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -160:sc= -0.0527 (180deg=-0.446) USER MOD Single : A 11 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.123) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -81:sc= 1.55 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 25 ASN : amide:sc= -0.364 X(o=-0.36,f=-0.038) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= 0.4 (180deg=0.277) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc=-0.00908 (180deg=-0.319) USER MOD Single : A 31 GLN : amide:sc= -1.55 K(o=-1.5,f=-2.2) USER MOD Single : A 33 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.179) USER MOD Single : A 40 GLN : amide:sc= -0.13 K(o=-0.13,f=-3.1!) USER MOD Single : A 41 GLN : amide:sc= -3.35! X(o=-3.4!,f=-2.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -5.67! C(o=-5.7!,f=-9.6!) USER MOD Single : A 59 TYR OH : rot 180:sc= -0.654 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.187 K(o=-0.19,f=-1.8) USER MOD Single : A 63 LYS NZ :NH3+ -168:sc=-3.41e-05 (180deg=-0.15) 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=-0.014) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 30.337 31.616 2.511 1.00 0.00 N ATOM 2 CA MET A 1 30.084 32.930 3.168 1.00 0.00 C ATOM 3 C MET A 1 31.009 33.077 4.368 1.00 0.00 C ATOM 4 O MET A 1 31.620 32.106 4.817 1.00 0.00 O ATOM 5 CB MET A 1 28.621 33.006 3.615 1.00 0.00 C ATOM 6 CG MET A 1 28.287 31.804 4.502 1.00 0.00 C ATOM 7 SD MET A 1 26.517 31.820 4.890 1.00 0.00 S ATOM 8 CE MET A 1 26.601 30.945 6.474 1.00 0.00 C ATOM 0 H1 MET A 1 29.453 31.260 2.095 1.00 0.00 H new ATOM 0 H2 MET A 1 31.049 31.734 1.762 1.00 0.00 H new ATOM 0 H3 MET A 1 30.686 30.937 3.217 1.00 0.00 H new ATOM 0 HA MET A 1 30.280 33.739 2.464 1.00 0.00 H new ATOM 0 HB2 MET A 1 28.446 33.933 4.161 1.00 0.00 H new ATOM 0 HB3 MET A 1 27.965 33.021 2.744 1.00 0.00 H new ATOM 0 HG2 MET A 1 28.551 30.877 3.993 1.00 0.00 H new ATOM 0 HG3 MET A 1 28.873 31.841 5.420 1.00 0.00 H new ATOM 0 HE1 MET A 1 25.645 30.461 6.674 1.00 0.00 H new ATOM 0 HE2 MET A 1 27.387 30.191 6.432 1.00 0.00 H new ATOM 0 HE3 MET A 1 26.821 31.655 7.271 1.00 0.00 H new ATOM 20 N GLN A 2 31.114 34.300 4.888 1.00 0.00 N ATOM 21 CA GLN A 2 31.972 34.577 6.038 1.00 0.00 C ATOM 22 C GLN A 2 31.138 35.008 7.241 1.00 0.00 C ATOM 23 O GLN A 2 30.034 35.531 7.091 1.00 0.00 O ATOM 24 CB GLN A 2 32.955 35.697 5.677 1.00 0.00 C ATOM 25 CG GLN A 2 34.030 35.159 4.730 1.00 0.00 C ATOM 26 CD GLN A 2 34.907 36.305 4.233 1.00 0.00 C ATOM 27 OE1 GLN A 2 34.421 37.211 3.557 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.178 36.318 4.529 1.00 0.00 N ATOM 0 H GLN A 2 30.615 35.114 4.530 1.00 0.00 H new ATOM 0 HA GLN A 2 32.516 33.668 6.296 1.00 0.00 H new ATOM 0 HB2 GLN A 2 32.422 36.523 5.205 1.00 0.00 H new ATOM 0 HB3 GLN A 2 33.419 36.092 6.581 1.00 0.00 H new ATOM 0 HG2 GLN A 2 34.642 34.418 5.244 1.00 0.00 H new ATOM 0 HG3 GLN A 2 33.562 34.655 3.884 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.579 35.566 5.090 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.771 37.080 4.200 1.00 0.00 H new ATOM 37 N ILE A 3 31.691 34.804 8.433 1.00 0.00 N ATOM 38 CA ILE A 3 31.015 35.198 9.667 1.00 0.00 C ATOM 39 C ILE A 3 32.036 35.451 10.762 1.00 0.00 C ATOM 40 O ILE A 3 33.222 35.172 10.599 1.00 0.00 O ATOM 41 CB ILE A 3 30.004 34.137 10.133 1.00 0.00 C ATOM 42 CG1 ILE A 3 30.671 32.746 10.157 1.00 0.00 C ATOM 43 CG2 ILE A 3 28.784 34.140 9.199 1.00 0.00 C ATOM 44 CD1 ILE A 3 29.608 31.644 10.150 1.00 0.00 C ATOM 0 H ILE A 3 32.603 34.369 8.572 1.00 0.00 H new ATOM 0 HA ILE A 3 30.463 36.115 9.459 1.00 0.00 H new ATOM 0 HB ILE A 3 29.670 34.374 11.143 1.00 0.00 H new ATOM 0 HG12 ILE A 3 31.325 32.634 9.292 1.00 0.00 H new ATOM 0 HG13 ILE A 3 31.297 32.651 11.044 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.069 33.387 9.532 1.00 0.00 H new ATOM 0 HG22 ILE A 3 28.312 35.122 9.220 1.00 0.00 H new ATOM 0 HG23 ILE A 3 29.104 33.912 8.182 1.00 0.00 H new ATOM 0 HD11 ILE A 3 30.095 30.669 10.167 1.00 0.00 H new ATOM 0 HD12 ILE A 3 28.971 31.747 11.029 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.000 31.730 9.249 1.00 0.00 H new ATOM 56 N PHE A 4 31.563 35.993 11.877 1.00 0.00 N ATOM 57 CA PHE A 4 32.432 36.302 13.011 1.00 0.00 C ATOM 58 C PHE A 4 32.106 35.405 14.198 1.00 0.00 C ATOM 59 O PHE A 4 30.938 35.138 14.484 1.00 0.00 O ATOM 60 CB PHE A 4 32.236 37.761 13.422 1.00 0.00 C ATOM 61 CG PHE A 4 32.566 38.670 12.261 1.00 0.00 C ATOM 62 CD1 PHE A 4 31.562 39.048 11.361 1.00 0.00 C ATOM 63 CD2 PHE A 4 33.872 39.142 12.090 1.00 0.00 C ATOM 64 CE1 PHE A 4 31.864 39.898 10.291 1.00 0.00 C ATOM 65 CE2 PHE A 4 34.175 39.991 11.018 1.00 0.00 C ATOM 66 CZ PHE A 4 33.171 40.369 10.119 1.00 0.00 C ATOM 0 H PHE A 4 30.581 36.229 12.023 1.00 0.00 H new ATOM 0 HA PHE A 4 33.466 36.132 12.710 1.00 0.00 H new ATOM 0 HB2 PHE A 4 31.206 37.923 13.741 1.00 0.00 H new ATOM 0 HB3 PHE A 4 32.874 37.997 14.273 1.00 0.00 H new ATOM 0 HD1 PHE A 4 30.554 38.683 11.493 1.00 0.00 H new ATOM 0 HD2 PHE A 4 34.646 38.852 12.785 1.00 0.00 H new ATOM 0 HE1 PHE A 4 31.089 40.191 9.598 1.00 0.00 H new ATOM 0 HE2 PHE A 4 35.183 40.354 10.885 1.00 0.00 H new ATOM 0 HZ PHE A 4 33.405 41.024 9.293 1.00 0.00 H new ATOM 76 N VAL A 5 33.146 34.961 14.904 1.00 0.00 N ATOM 77 CA VAL A 5 32.972 34.114 16.081 1.00 0.00 C ATOM 78 C VAL A 5 33.463 34.860 17.310 1.00 0.00 C ATOM 79 O VAL A 5 34.581 35.370 17.338 1.00 0.00 O ATOM 80 CB VAL A 5 33.742 32.798 15.906 1.00 0.00 C ATOM 81 CG1 VAL A 5 33.919 32.104 17.267 1.00 0.00 C ATOM 82 CG2 VAL A 5 32.948 31.876 14.972 1.00 0.00 C ATOM 0 H VAL A 5 34.118 35.175 14.680 1.00 0.00 H new ATOM 0 HA VAL A 5 31.916 33.875 16.205 1.00 0.00 H new ATOM 0 HB VAL A 5 34.724 33.010 15.482 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.467 31.171 17.131 1.00 0.00 H new ATOM 0 HG12 VAL A 5 34.476 32.757 17.939 1.00 0.00 H new ATOM 0 HG13 VAL A 5 32.940 31.891 17.697 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.488 30.938 14.842 1.00 0.00 H new ATOM 0 HG22 VAL A 5 31.969 31.674 15.406 1.00 0.00 H new ATOM 0 HG23 VAL A 5 32.822 32.360 14.003 1.00 0.00 H new ATOM 92 N LYS A 6 32.604 34.924 18.312 1.00 0.00 N ATOM 93 CA LYS A 6 32.915 35.622 19.555 1.00 0.00 C ATOM 94 C LYS A 6 33.114 34.629 20.697 1.00 0.00 C ATOM 95 O LYS A 6 32.289 33.740 20.905 1.00 0.00 O ATOM 96 CB LYS A 6 31.753 36.558 19.888 1.00 0.00 C ATOM 97 CG LYS A 6 32.170 37.544 20.972 1.00 0.00 C ATOM 98 CD LYS A 6 31.005 38.500 21.250 1.00 0.00 C ATOM 99 CE LYS A 6 31.382 39.469 22.371 1.00 0.00 C ATOM 100 NZ LYS A 6 31.578 38.710 23.638 1.00 0.00 N ATOM 0 H LYS A 6 31.677 34.498 18.292 1.00 0.00 H new ATOM 0 HA LYS A 6 33.838 36.188 19.430 1.00 0.00 H new ATOM 0 HB2 LYS A 6 31.443 37.098 18.994 1.00 0.00 H new ATOM 0 HB3 LYS A 6 30.893 35.978 20.224 1.00 0.00 H new ATOM 0 HG2 LYS A 6 32.444 37.010 21.882 1.00 0.00 H new ATOM 0 HG3 LYS A 6 33.049 38.104 20.654 1.00 0.00 H new ATOM 0 HD2 LYS A 6 30.756 39.056 20.346 1.00 0.00 H new ATOM 0 HD3 LYS A 6 30.117 37.933 21.531 1.00 0.00 H new ATOM 0 HE2 LYS A 6 32.295 40.005 22.111 1.00 0.00 H new ATOM 0 HE3 LYS A 6 30.599 40.216 22.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 31.497 39.358 24.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 30.852 37.969 23.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 32.521 38.272 23.638 1.00 0.00 H new ATOM 114 N THR A 7 34.208 34.792 21.448 1.00 0.00 N ATOM 115 CA THR A 7 34.495 33.908 22.582 1.00 0.00 C ATOM 116 C THR A 7 34.229 34.637 23.898 1.00 0.00 C ATOM 117 O THR A 7 33.816 35.798 23.908 1.00 0.00 O ATOM 118 CB THR A 7 35.953 33.444 22.546 1.00 0.00 C ATOM 119 OG1 THR A 7 36.803 34.523 22.909 1.00 0.00 O ATOM 120 CG2 THR A 7 36.306 32.962 21.138 1.00 0.00 C ATOM 0 H THR A 7 34.904 35.521 21.293 1.00 0.00 H new ATOM 0 HA THR A 7 33.842 33.038 22.510 1.00 0.00 H new ATOM 0 HB THR A 7 36.089 32.623 23.250 1.00 0.00 H new ATOM 0 HG1 THR A 7 37.417 34.232 23.615 1.00 0.00 H new ATOM 0 HG21 THR A 7 37.345 32.632 21.116 1.00 0.00 H new ATOM 0 HG22 THR A 7 35.656 32.131 20.864 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.169 33.779 20.429 1.00 0.00 H new ATOM 128 N LEU A 8 34.477 33.957 25.010 1.00 0.00 N ATOM 129 CA LEU A 8 34.258 34.560 26.318 1.00 0.00 C ATOM 130 C LEU A 8 35.299 35.644 26.598 1.00 0.00 C ATOM 131 O LEU A 8 35.024 36.606 27.316 1.00 0.00 O ATOM 132 CB LEU A 8 34.308 33.485 27.413 1.00 0.00 C ATOM 133 CG LEU A 8 33.940 34.099 28.776 1.00 0.00 C ATOM 134 CD1 LEU A 8 32.471 34.556 28.771 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.147 33.056 29.884 1.00 0.00 C ATOM 0 H LEU A 8 34.826 32.999 25.033 1.00 0.00 H new ATOM 0 HA LEU A 8 33.271 35.023 26.320 1.00 0.00 H new ATOM 0 HB2 LEU A 8 33.618 32.677 27.171 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.306 33.049 27.460 1.00 0.00 H new ATOM 0 HG LEU A 8 34.581 34.961 28.960 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.221 34.989 29.740 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.325 35.304 27.991 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.824 33.700 28.578 1.00 0.00 H new ATOM 0 HD21 LEU A 8 33.886 33.493 30.848 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.511 32.191 29.693 1.00 0.00 H new ATOM 0 HD23 LEU A 8 35.191 32.743 29.898 1.00 0.00 H new ATOM 147 N THR A 9 36.494 35.487 26.037 1.00 0.00 N ATOM 148 CA THR A 9 37.556 36.466 26.252 1.00 0.00 C ATOM 149 C THR A 9 37.339 37.704 25.387 1.00 0.00 C ATOM 150 O THR A 9 38.218 38.562 25.292 1.00 0.00 O ATOM 151 CB THR A 9 38.921 35.851 25.934 1.00 0.00 C ATOM 152 OG1 THR A 9 38.902 35.307 24.623 1.00 0.00 O ATOM 153 CG2 THR A 9 39.235 34.746 26.943 1.00 0.00 C ATOM 0 H THR A 9 36.750 34.702 25.438 1.00 0.00 H new ATOM 0 HA THR A 9 37.531 36.763 27.301 1.00 0.00 H new ATOM 0 HB THR A 9 39.688 36.623 25.995 1.00 0.00 H new ATOM 0 HG1 THR A 9 39.626 34.654 24.529 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.207 34.310 26.714 1.00 0.00 H new ATOM 0 HG22 THR A 9 39.253 35.166 27.949 1.00 0.00 H new ATOM 0 HG23 THR A 9 38.468 33.973 26.887 1.00 0.00 H new ATOM 161 N GLY A 10 36.163 37.806 24.770 1.00 0.00 N ATOM 162 CA GLY A 10 35.855 38.960 23.934 1.00 0.00 C ATOM 163 C GLY A 10 36.698 38.962 22.666 1.00 0.00 C ATOM 164 O GLY A 10 36.911 40.009 22.054 1.00 0.00 O ATOM 0 H GLY A 10 35.418 37.112 24.833 1.00 0.00 H new ATOM 0 HA2 GLY A 10 34.797 38.950 23.671 1.00 0.00 H new ATOM 0 HA3 GLY A 10 36.035 39.877 24.495 1.00 0.00 H new ATOM 168 N LYS A 11 37.161 37.782 22.264 1.00 0.00 N ATOM 169 CA LYS A 11 37.962 37.658 21.050 1.00 0.00 C ATOM 170 C LYS A 11 37.048 37.459 19.854 1.00 0.00 C ATOM 171 O LYS A 11 36.146 36.624 19.889 1.00 0.00 O ATOM 172 CB LYS A 11 38.913 36.460 21.164 1.00 0.00 C ATOM 173 CG LYS A 11 39.851 36.645 22.369 1.00 0.00 C ATOM 174 CD LYS A 11 41.053 37.506 21.965 1.00 0.00 C ATOM 175 CE LYS A 11 42.024 37.621 23.138 1.00 0.00 C ATOM 176 NZ LYS A 11 41.429 38.492 24.190 1.00 0.00 N ATOM 0 H LYS A 11 36.997 36.904 22.757 1.00 0.00 H new ATOM 0 HA LYS A 11 38.546 38.569 20.920 1.00 0.00 H new ATOM 0 HB2 LYS A 11 38.340 35.540 21.277 1.00 0.00 H new ATOM 0 HB3 LYS A 11 39.498 36.361 20.249 1.00 0.00 H new ATOM 0 HG2 LYS A 11 39.313 37.118 23.191 1.00 0.00 H new ATOM 0 HG3 LYS A 11 40.192 35.674 22.728 1.00 0.00 H new ATOM 0 HD2 LYS A 11 41.557 37.063 21.106 1.00 0.00 H new ATOM 0 HD3 LYS A 11 40.716 38.497 21.661 1.00 0.00 H new ATOM 0 HE2 LYS A 11 42.237 36.633 23.546 1.00 0.00 H new ATOM 0 HE3 LYS A 11 42.973 38.037 22.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 42.136 39.185 24.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 40.604 38.992 23.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 41.130 37.907 24.997 1.00 0.00 H new ATOM 190 N THR A 12 37.288 38.222 18.788 1.00 0.00 N ATOM 191 CA THR A 12 36.483 38.112 17.573 1.00 0.00 C ATOM 192 C THR A 12 37.356 37.643 16.422 1.00 0.00 C ATOM 193 O THR A 12 38.374 38.258 16.105 1.00 0.00 O ATOM 194 CB THR A 12 35.863 39.465 17.214 1.00 0.00 C ATOM 195 OG1 THR A 12 35.263 40.029 18.371 1.00 0.00 O ATOM 196 CG2 THR A 12 34.795 39.262 16.130 1.00 0.00 C ATOM 0 H THR A 12 38.030 38.920 18.741 1.00 0.00 H new ATOM 0 HA THR A 12 35.685 37.392 17.751 1.00 0.00 H new ATOM 0 HB THR A 12 36.637 40.136 16.842 1.00 0.00 H new ATOM 0 HG1 THR A 12 34.867 40.896 18.144 1.00 0.00 H new ATOM 0 HG21 THR A 12 34.351 40.224 15.872 1.00 0.00 H new ATOM 0 HG22 THR A 12 35.255 38.825 15.244 1.00 0.00 H new ATOM 0 HG23 THR A 12 34.020 38.593 16.504 1.00 0.00 H new ATOM 204 N ILE A 13 36.945 36.548 15.801 1.00 0.00 N ATOM 205 CA ILE A 13 37.683 35.986 14.676 1.00 0.00 C ATOM 206 C ILE A 13 36.737 35.668 13.535 1.00 0.00 C ATOM 207 O ILE A 13 35.612 35.222 13.752 1.00 0.00 O ATOM 208 CB ILE A 13 38.426 34.720 15.111 1.00 0.00 C ATOM 209 CG1 ILE A 13 39.351 34.259 13.975 1.00 0.00 C ATOM 210 CG2 ILE A 13 37.427 33.618 15.436 1.00 0.00 C ATOM 211 CD1 ILE A 13 40.480 35.281 13.766 1.00 0.00 C ATOM 0 H ILE A 13 36.104 36.029 16.056 1.00 0.00 H new ATOM 0 HA ILE A 13 38.411 36.721 14.334 1.00 0.00 H new ATOM 0 HB ILE A 13 39.018 34.936 16.000 1.00 0.00 H new ATOM 0 HG12 ILE A 13 39.773 33.283 14.213 1.00 0.00 H new ATOM 0 HG13 ILE A 13 38.779 34.143 13.054 1.00 0.00 H new ATOM 0 HG21 ILE A 13 37.963 32.720 15.745 1.00 0.00 H new ATOM 0 HG22 ILE A 13 36.773 33.946 16.244 1.00 0.00 H new ATOM 0 HG23 ILE A 13 36.828 33.397 14.552 1.00 0.00 H new ATOM 0 HD11 ILE A 13 41.130 34.945 12.958 1.00 0.00 H new ATOM 0 HD12 ILE A 13 40.051 36.249 13.507 1.00 0.00 H new ATOM 0 HD13 ILE A 13 41.060 35.375 14.684 1.00 0.00 H new ATOM 223 N THR A 14 37.202 35.900 12.314 1.00 0.00 N ATOM 224 CA THR A 14 36.386 35.633 11.134 1.00 0.00 C ATOM 225 C THR A 14 36.746 34.284 10.526 1.00 0.00 C ATOM 226 O THR A 14 37.921 33.932 10.409 1.00 0.00 O ATOM 227 CB THR A 14 36.579 36.741 10.100 1.00 0.00 C ATOM 228 OG1 THR A 14 36.458 38.002 10.743 1.00 0.00 O ATOM 229 CG2 THR A 14 35.503 36.615 9.015 1.00 0.00 C ATOM 0 H THR A 14 38.132 36.269 12.114 1.00 0.00 H new ATOM 0 HA THR A 14 35.339 35.608 11.438 1.00 0.00 H new ATOM 0 HB THR A 14 37.565 36.654 9.644 1.00 0.00 H new ATOM 0 HG1 THR A 14 35.510 38.225 10.850 1.00 0.00 H new ATOM 0 HG21 THR A 14 35.638 37.404 8.275 1.00 0.00 H new ATOM 0 HG22 THR A 14 35.589 35.643 8.529 1.00 0.00 H new ATOM 0 HG23 THR A 14 34.516 36.708 9.469 1.00 0.00 H new ATOM 237 N LEU A 15 35.714 33.532 10.154 1.00 0.00 N ATOM 238 CA LEU A 15 35.881 32.202 9.566 1.00 0.00 C ATOM 239 C LEU A 15 35.134 32.124 8.232 1.00 0.00 C ATOM 240 O LEU A 15 34.106 32.775 8.044 1.00 0.00 O ATOM 241 CB LEU A 15 35.313 31.150 10.552 1.00 0.00 C ATOM 242 CG LEU A 15 36.437 30.431 11.319 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.336 31.456 12.030 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.804 29.495 12.354 1.00 0.00 C ATOM 0 H LEU A 15 34.741 33.824 10.250 1.00 0.00 H new ATOM 0 HA LEU A 15 36.938 32.007 9.384 1.00 0.00 H new ATOM 0 HB2 LEU A 15 34.643 31.638 11.260 1.00 0.00 H new ATOM 0 HB3 LEU A 15 34.720 30.418 10.003 1.00 0.00 H new ATOM 0 HG LEU A 15 37.048 29.859 10.620 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.127 30.934 12.569 1.00 0.00 H new ATOM 0 HD12 LEU A 15 37.780 32.125 11.292 1.00 0.00 H new ATOM 0 HD13 LEU A 15 36.740 32.037 12.734 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.589 28.978 12.906 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.196 30.077 13.047 1.00 0.00 H new ATOM 0 HD23 LEU A 15 35.175 28.763 11.846 1.00 0.00 H new ATOM 256 N GLU A 16 35.644 31.292 7.326 1.00 0.00 N ATOM 257 CA GLU A 16 35.005 31.093 6.021 1.00 0.00 C ATOM 258 C GLU A 16 34.360 29.714 5.993 1.00 0.00 C ATOM 259 O GLU A 16 35.023 28.708 6.242 1.00 0.00 O ATOM 260 CB GLU A 16 36.031 31.210 4.885 1.00 0.00 C ATOM 261 CG GLU A 16 37.323 30.493 5.275 1.00 0.00 C ATOM 262 CD GLU A 16 38.317 30.548 4.120 1.00 0.00 C ATOM 263 OE1 GLU A 16 37.894 30.834 3.012 1.00 0.00 O ATOM 264 OE2 GLU A 16 39.488 30.302 4.360 1.00 0.00 O ATOM 0 H GLU A 16 36.494 30.746 7.468 1.00 0.00 H new ATOM 0 HA GLU A 16 34.249 31.864 5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 16 35.626 30.776 3.971 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.236 32.260 4.675 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.755 30.960 6.160 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.110 29.456 5.533 1.00 0.00 H new ATOM 271 N VAL A 17 33.062 29.670 5.707 1.00 0.00 N ATOM 272 CA VAL A 17 32.346 28.393 5.674 1.00 0.00 C ATOM 273 C VAL A 17 31.282 28.375 4.585 1.00 0.00 C ATOM 274 O VAL A 17 30.873 29.420 4.073 1.00 0.00 O ATOM 275 CB VAL A 17 31.715 28.103 7.053 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.629 28.630 8.161 1.00 0.00 C ATOM 277 CG2 VAL A 17 30.351 28.787 7.174 1.00 0.00 C ATOM 0 H VAL A 17 32.490 30.488 5.498 1.00 0.00 H new ATOM 0 HA VAL A 17 33.067 27.609 5.440 1.00 0.00 H new ATOM 0 HB VAL A 17 31.588 27.025 7.152 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.180 28.423 9.132 1.00 0.00 H new ATOM 0 HG12 VAL A 17 33.599 28.137 8.098 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.760 29.706 8.044 1.00 0.00 H new ATOM 0 HG21 VAL A 17 29.921 28.571 8.152 1.00 0.00 H new ATOM 0 HG22 VAL A 17 30.473 29.864 7.061 1.00 0.00 H new ATOM 0 HG23 VAL A 17 29.686 28.413 6.395 1.00 0.00 H new ATOM 287 N GLU A 18 30.824 27.167 4.255 1.00 0.00 N ATOM 288 CA GLU A 18 29.793 26.986 3.249 1.00 0.00 C ATOM 289 C GLU A 18 28.457 26.710 3.950 1.00 0.00 C ATOM 290 O GLU A 18 28.425 25.959 4.923 1.00 0.00 O ATOM 291 CB GLU A 18 30.147 25.807 2.341 1.00 0.00 C ATOM 292 CG GLU A 18 31.581 25.972 1.838 1.00 0.00 C ATOM 293 CD GLU A 18 31.704 27.250 1.015 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.919 28.295 1.607 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.585 27.164 -0.197 1.00 0.00 O ATOM 0 H GLU A 18 31.157 26.299 4.676 1.00 0.00 H new ATOM 0 HA GLU A 18 29.716 27.888 2.642 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.046 24.869 2.887 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.457 25.761 1.499 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.269 26.007 2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.863 25.111 1.232 1.00 0.00 H new ATOM 302 N PRO A 19 27.369 27.290 3.505 1.00 0.00 N ATOM 303 CA PRO A 19 26.041 27.064 4.144 1.00 0.00 C ATOM 304 C PRO A 19 25.754 25.578 4.348 1.00 0.00 C ATOM 305 O PRO A 19 24.927 25.201 5.178 1.00 0.00 O ATOM 306 CB PRO A 19 25.049 27.691 3.151 1.00 0.00 C ATOM 307 CG PRO A 19 25.838 28.727 2.420 1.00 0.00 C ATOM 308 CD PRO A 19 27.270 28.210 2.359 1.00 0.00 C ATOM 0 HA PRO A 19 25.980 27.502 5.140 1.00 0.00 H new ATOM 0 HB2 PRO A 19 24.650 26.943 2.466 1.00 0.00 H new ATOM 0 HB3 PRO A 19 24.199 28.135 3.669 1.00 0.00 H new ATOM 0 HG2 PRO A 19 25.439 28.885 1.418 1.00 0.00 H new ATOM 0 HG3 PRO A 19 25.793 29.686 2.936 1.00 0.00 H new ATOM 0 HD2 PRO A 19 27.469 27.697 1.418 1.00 0.00 H new ATOM 0 HD3 PRO A 19 27.991 29.024 2.437 1.00 0.00 H new ATOM 316 N SER A 20 26.436 24.735 3.569 1.00 0.00 N ATOM 317 CA SER A 20 26.243 23.289 3.648 1.00 0.00 C ATOM 318 C SER A 20 27.272 22.631 4.564 1.00 0.00 C ATOM 319 O SER A 20 27.339 21.405 4.644 1.00 0.00 O ATOM 320 CB SER A 20 26.362 22.692 2.245 1.00 0.00 C ATOM 321 OG SER A 20 27.675 22.919 1.748 1.00 0.00 O ATOM 0 H SER A 20 27.125 25.030 2.878 1.00 0.00 H new ATOM 0 HA SER A 20 25.253 23.100 4.064 1.00 0.00 H new ATOM 0 HB2 SER A 20 26.151 21.623 2.273 1.00 0.00 H new ATOM 0 HB3 SER A 20 25.626 23.145 1.581 1.00 0.00 H new ATOM 0 HG SER A 20 27.755 22.536 0.849 1.00 0.00 H new ATOM 327 N ASP A 21 28.068 23.437 5.257 1.00 0.00 N ATOM 328 CA ASP A 21 29.074 22.902 6.159 1.00 0.00 C ATOM 329 C ASP A 21 28.403 22.258 7.367 1.00 0.00 C ATOM 330 O ASP A 21 27.383 22.744 7.855 1.00 0.00 O ATOM 331 CB ASP A 21 30.009 24.037 6.611 1.00 0.00 C ATOM 332 CG ASP A 21 31.067 24.319 5.542 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.097 23.602 4.556 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.839 25.242 5.732 1.00 0.00 O ATOM 0 H ASP A 21 28.035 24.455 5.211 1.00 0.00 H new ATOM 0 HA ASP A 21 29.658 22.141 5.641 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.428 24.939 6.803 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.494 23.765 7.548 1.00 0.00 H new ATOM 339 N THR A 22 28.982 21.160 7.848 1.00 0.00 N ATOM 340 CA THR A 22 28.434 20.459 9.006 1.00 0.00 C ATOM 341 C THR A 22 29.026 21.032 10.283 1.00 0.00 C ATOM 342 O THR A 22 30.140 21.549 10.278 1.00 0.00 O ATOM 343 CB THR A 22 28.747 18.964 8.921 1.00 0.00 C ATOM 344 OG1 THR A 22 30.150 18.783 8.798 1.00 0.00 O ATOM 345 CG2 THR A 22 28.040 18.357 7.708 1.00 0.00 C ATOM 0 H THR A 22 29.825 20.739 7.457 1.00 0.00 H new ATOM 0 HA THR A 22 27.352 20.593 9.015 1.00 0.00 H new ATOM 0 HB THR A 22 28.395 18.467 9.825 1.00 0.00 H new ATOM 0 HG1 THR A 22 30.353 17.826 8.745 1.00 0.00 H new ATOM 0 HG21 THR A 22 28.265 17.292 7.651 1.00 0.00 H new ATOM 0 HG22 THR A 22 26.963 18.495 7.807 1.00 0.00 H new ATOM 0 HG23 THR A 22 28.387 18.851 6.800 1.00 0.00 H new ATOM 353 N ILE A 23 28.278 20.940 11.371 1.00 0.00 N ATOM 354 CA ILE A 23 28.758 21.465 12.640 1.00 0.00 C ATOM 355 C ILE A 23 30.136 20.896 12.951 1.00 0.00 C ATOM 356 O ILE A 23 30.911 21.486 13.697 1.00 0.00 O ATOM 357 CB ILE A 23 27.784 21.107 13.765 1.00 0.00 C ATOM 358 CG1 ILE A 23 26.344 21.391 13.321 1.00 0.00 C ATOM 359 CG2 ILE A 23 28.105 21.940 15.007 1.00 0.00 C ATOM 360 CD1 ILE A 23 26.237 22.804 12.733 1.00 0.00 C ATOM 0 H ILE A 23 27.352 20.514 11.403 1.00 0.00 H new ATOM 0 HA ILE A 23 28.827 22.550 12.565 1.00 0.00 H new ATOM 0 HB ILE A 23 27.886 20.047 13.999 1.00 0.00 H new ATOM 0 HG12 ILE A 23 26.034 20.656 12.578 1.00 0.00 H new ATOM 0 HG13 ILE A 23 25.668 21.291 14.170 1.00 0.00 H new ATOM 0 HG21 ILE A 23 27.410 21.683 15.807 1.00 0.00 H new ATOM 0 HG22 ILE A 23 29.125 21.732 15.331 1.00 0.00 H new ATOM 0 HG23 ILE A 23 28.009 22.999 14.769 1.00 0.00 H new ATOM 0 HD11 ILE A 23 25.209 22.992 12.422 1.00 0.00 H new ATOM 0 HD12 ILE A 23 26.527 23.535 13.488 1.00 0.00 H new ATOM 0 HD13 ILE A 23 26.898 22.890 11.871 1.00 0.00 H new ATOM 372 N GLU A 24 30.441 19.756 12.348 1.00 0.00 N ATOM 373 CA GLU A 24 31.736 19.120 12.552 1.00 0.00 C ATOM 374 C GLU A 24 32.814 19.859 11.761 1.00 0.00 C ATOM 375 O GLU A 24 33.815 20.305 12.321 1.00 0.00 O ATOM 376 CB GLU A 24 31.667 17.657 12.107 1.00 0.00 C ATOM 377 CG GLU A 24 30.675 16.900 12.998 1.00 0.00 C ATOM 378 CD GLU A 24 30.396 15.519 12.414 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.676 15.447 11.431 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.905 14.553 12.959 1.00 0.00 O ATOM 0 H GLU A 24 29.815 19.255 11.718 1.00 0.00 H new ATOM 0 HA GLU A 24 31.991 19.160 13.611 1.00 0.00 H new ATOM 0 HB2 GLU A 24 31.355 17.597 11.064 1.00 0.00 H new ATOM 0 HB3 GLU A 24 32.654 17.199 12.172 1.00 0.00 H new ATOM 0 HG2 GLU A 24 31.080 16.803 14.005 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.745 17.463 13.081 1.00 0.00 H new ATOM 387 N ASN A 25 32.599 19.983 10.458 1.00 0.00 N ATOM 388 CA ASN A 25 33.552 20.670 9.594 1.00 0.00 C ATOM 389 C ASN A 25 33.818 22.083 10.109 1.00 0.00 C ATOM 390 O ASN A 25 34.953 22.557 10.096 1.00 0.00 O ATOM 391 CB ASN A 25 32.994 20.738 8.172 1.00 0.00 C ATOM 392 CG ASN A 25 34.098 21.104 7.189 1.00 0.00 C ATOM 393 OD1 ASN A 25 33.916 21.987 6.351 1.00 0.00 O ATOM 394 ND2 ASN A 25 35.239 20.474 7.240 1.00 0.00 N ATOM 0 H ASN A 25 31.777 19.619 9.977 1.00 0.00 H new ATOM 0 HA ASN A 25 34.491 20.116 9.594 1.00 0.00 H new ATOM 0 HB2 ASN A 25 32.558 19.777 7.899 1.00 0.00 H new ATOM 0 HB3 ASN A 25 32.194 21.477 8.123 1.00 0.00 H new ATOM 0 HD21 ASN A 25 35.983 20.713 6.584 1.00 0.00 H new ATOM 0 HD22 ASN A 25 35.387 19.743 7.935 1.00 0.00 H new ATOM 401 N VAL A 26 32.764 22.755 10.559 1.00 0.00 N ATOM 402 CA VAL A 26 32.910 24.114 11.068 1.00 0.00 C ATOM 403 C VAL A 26 33.759 24.118 12.338 1.00 0.00 C ATOM 404 O VAL A 26 34.602 24.996 12.528 1.00 0.00 O ATOM 405 CB VAL A 26 31.535 24.733 11.345 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.716 26.155 11.873 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.723 24.777 10.048 1.00 0.00 C ATOM 0 H VAL A 26 31.813 22.388 10.582 1.00 0.00 H new ATOM 0 HA VAL A 26 33.414 24.714 10.311 1.00 0.00 H new ATOM 0 HB VAL A 26 31.009 24.130 12.085 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.739 26.597 12.071 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.296 26.130 12.795 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.242 26.755 11.130 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.746 25.217 10.245 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.250 25.380 9.309 1.00 0.00 H new ATOM 0 HG23 VAL A 26 30.594 23.765 9.665 1.00 0.00 H new ATOM 417 N LYS A 27 33.543 23.130 13.200 1.00 0.00 N ATOM 418 CA LYS A 27 34.310 23.039 14.435 1.00 0.00 C ATOM 419 C LYS A 27 35.773 22.831 14.084 1.00 0.00 C ATOM 420 O LYS A 27 36.671 23.341 14.753 1.00 0.00 O ATOM 421 CB LYS A 27 33.797 21.876 15.295 1.00 0.00 C ATOM 422 CG LYS A 27 32.533 22.309 16.045 1.00 0.00 C ATOM 423 CD LYS A 27 31.845 21.079 16.650 1.00 0.00 C ATOM 424 CE LYS A 27 30.848 21.525 17.724 1.00 0.00 C ATOM 425 NZ LYS A 27 30.065 20.347 18.195 1.00 0.00 N ATOM 0 H LYS A 27 32.853 22.391 13.069 1.00 0.00 H new ATOM 0 HA LYS A 27 34.197 23.959 15.008 1.00 0.00 H new ATOM 0 HB2 LYS A 27 33.581 21.013 14.665 1.00 0.00 H new ATOM 0 HB3 LYS A 27 34.565 21.569 16.004 1.00 0.00 H new ATOM 0 HG2 LYS A 27 32.790 23.018 16.832 1.00 0.00 H new ATOM 0 HG3 LYS A 27 31.852 22.821 15.365 1.00 0.00 H new ATOM 0 HD2 LYS A 27 31.329 20.518 15.871 1.00 0.00 H new ATOM 0 HD3 LYS A 27 32.588 20.411 17.084 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.378 21.981 18.560 1.00 0.00 H new ATOM 0 HE3 LYS A 27 30.177 22.283 17.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 29.196 20.673 18.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.816 19.748 17.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.636 19.797 18.868 1.00 0.00 H new ATOM 439 N ALA A 28 35.995 22.070 13.024 1.00 0.00 N ATOM 440 CA ALA A 28 37.338 21.786 12.559 1.00 0.00 C ATOM 441 C ALA A 28 38.050 23.084 12.180 1.00 0.00 C ATOM 442 O ALA A 28 39.237 23.254 12.454 1.00 0.00 O ATOM 443 CB ALA A 28 37.254 20.850 11.352 1.00 0.00 C ATOM 0 H ALA A 28 35.257 21.637 12.469 1.00 0.00 H new ATOM 0 HA ALA A 28 37.910 21.305 13.353 1.00 0.00 H new ATOM 0 HB1 ALA A 28 38.259 20.629 10.993 1.00 0.00 H new ATOM 0 HB2 ALA A 28 36.761 19.923 11.644 1.00 0.00 H new ATOM 0 HB3 ALA A 28 36.682 21.331 10.558 1.00 0.00 H new ATOM 449 N LYS A 29 37.305 24.000 11.565 1.00 0.00 N ATOM 450 CA LYS A 29 37.869 25.289 11.170 1.00 0.00 C ATOM 451 C LYS A 29 38.257 26.078 12.416 1.00 0.00 C ATOM 452 O LYS A 29 39.307 26.724 12.463 1.00 0.00 O ATOM 453 CB LYS A 29 36.851 26.102 10.358 1.00 0.00 C ATOM 454 CG LYS A 29 36.526 25.386 9.043 1.00 0.00 C ATOM 455 CD LYS A 29 35.432 26.160 8.295 1.00 0.00 C ATOM 456 CE LYS A 29 35.021 25.382 7.044 1.00 0.00 C ATOM 457 NZ LYS A 29 36.171 25.323 6.098 1.00 0.00 N ATOM 0 H LYS A 29 36.320 23.876 11.331 1.00 0.00 H new ATOM 0 HA LYS A 29 38.748 25.107 10.552 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.939 26.241 10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 29 37.251 27.095 10.150 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.421 25.313 8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 29 36.193 24.368 9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.569 26.309 8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.796 27.149 8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.707 24.374 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.168 25.864 6.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 35.834 25.028 5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.611 26.263 6.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.872 24.638 6.446 1.00 0.00 H new ATOM 471 N ILE A 30 37.403 26.002 13.430 1.00 0.00 N ATOM 472 CA ILE A 30 37.648 26.695 14.678 1.00 0.00 C ATOM 473 C ILE A 30 38.863 26.100 15.385 1.00 0.00 C ATOM 474 O ILE A 30 39.735 26.828 15.852 1.00 0.00 O ATOM 475 CB ILE A 30 36.403 26.593 15.566 1.00 0.00 C ATOM 476 CG1 ILE A 30 35.289 27.459 14.966 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.731 27.088 16.975 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.960 27.157 15.663 1.00 0.00 C ATOM 0 H ILE A 30 36.536 25.466 13.407 1.00 0.00 H new ATOM 0 HA ILE A 30 37.856 27.745 14.475 1.00 0.00 H new ATOM 0 HB ILE A 30 36.076 25.554 15.620 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.537 28.514 15.079 1.00 0.00 H new ATOM 0 HG13 ILE A 30 35.201 27.264 13.897 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.843 27.014 17.603 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.527 26.477 17.399 1.00 0.00 H new ATOM 0 HG23 ILE A 30 37.057 28.127 16.929 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.174 27.776 15.231 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.709 26.105 15.528 1.00 0.00 H new ATOM 0 HD13 ILE A 30 34.050 27.375 16.727 1.00 0.00 H new ATOM 490 N GLN A 31 38.910 24.775 15.465 1.00 0.00 N ATOM 491 CA GLN A 31 40.024 24.103 16.123 1.00 0.00 C ATOM 492 C GLN A 31 41.338 24.423 15.418 1.00 0.00 C ATOM 493 O GLN A 31 42.340 24.727 16.058 1.00 0.00 O ATOM 494 CB GLN A 31 39.810 22.587 16.110 1.00 0.00 C ATOM 495 CG GLN A 31 40.870 21.917 16.990 1.00 0.00 C ATOM 496 CD GLN A 31 40.690 20.402 16.969 1.00 0.00 C ATOM 497 OE1 GLN A 31 40.941 19.733 17.971 1.00 0.00 O ATOM 498 NE2 GLN A 31 40.269 19.818 15.882 1.00 0.00 N ATOM 0 H GLN A 31 38.198 24.150 15.087 1.00 0.00 H new ATOM 0 HA GLN A 31 40.071 24.459 17.152 1.00 0.00 H new ATOM 0 HB2 GLN A 31 38.812 22.346 16.476 1.00 0.00 H new ATOM 0 HB3 GLN A 31 39.875 22.208 15.090 1.00 0.00 H new ATOM 0 HG2 GLN A 31 41.867 22.177 16.634 1.00 0.00 H new ATOM 0 HG3 GLN A 31 40.791 22.286 18.013 1.00 0.00 H new ATOM 0 HE21 GLN A 31 40.061 20.374 15.052 1.00 0.00 H new ATOM 0 HE22 GLN A 31 40.147 18.805 15.861 1.00 0.00 H new ATOM 507 N ASP A 32 41.326 24.336 14.097 1.00 0.00 N ATOM 508 CA ASP A 32 42.526 24.595 13.314 1.00 0.00 C ATOM 509 C ASP A 32 43.095 25.988 13.585 1.00 0.00 C ATOM 510 O ASP A 32 44.313 26.164 13.624 1.00 0.00 O ATOM 511 CB ASP A 32 42.211 24.453 11.822 1.00 0.00 C ATOM 512 CG ASP A 32 41.980 22.986 11.474 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.602 22.144 12.101 1.00 0.00 O ATOM 514 OD2 ASP A 32 41.184 22.726 10.587 1.00 0.00 O ATOM 0 H ASP A 32 40.504 24.089 13.546 1.00 0.00 H new ATOM 0 HA ASP A 32 43.277 23.863 13.610 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.326 25.038 11.572 1.00 0.00 H new ATOM 0 HB3 ASP A 32 43.034 24.851 11.229 1.00 0.00 H new ATOM 519 N LYS A 33 42.222 26.983 13.742 1.00 0.00 N ATOM 520 CA LYS A 33 42.681 28.357 13.971 1.00 0.00 C ATOM 521 C LYS A 33 42.907 28.677 15.456 1.00 0.00 C ATOM 522 O LYS A 33 43.841 29.404 15.794 1.00 0.00 O ATOM 523 CB LYS A 33 41.663 29.344 13.395 1.00 0.00 C ATOM 524 CG LYS A 33 41.532 29.122 11.885 1.00 0.00 C ATOM 525 CD LYS A 33 40.651 30.218 11.279 1.00 0.00 C ATOM 526 CE LYS A 33 40.814 30.226 9.758 1.00 0.00 C ATOM 527 NZ LYS A 33 40.367 28.919 9.200 1.00 0.00 N ATOM 0 H LYS A 33 41.209 26.869 13.716 1.00 0.00 H new ATOM 0 HA LYS A 33 43.643 28.454 13.468 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.696 29.208 13.878 1.00 0.00 H new ATOM 0 HB3 LYS A 33 41.979 30.368 13.597 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.517 29.134 11.419 1.00 0.00 H new ATOM 0 HG3 LYS A 33 41.098 28.142 11.688 1.00 0.00 H new ATOM 0 HD2 LYS A 33 39.607 30.046 11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 33 40.928 31.189 11.689 1.00 0.00 H new ATOM 0 HE2 LYS A 33 40.229 31.037 9.324 1.00 0.00 H new ATOM 0 HE3 LYS A 33 41.856 30.408 9.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 40.252 29.002 8.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 41.078 28.190 9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 39.458 28.651 9.629 1.00 0.00 H new ATOM 541 N GLU A 34 42.043 28.172 16.339 1.00 0.00 N ATOM 542 CA GLU A 34 42.168 28.466 17.779 1.00 0.00 C ATOM 543 C GLU A 34 42.808 27.314 18.558 1.00 0.00 C ATOM 544 O GLU A 34 43.170 27.479 19.723 1.00 0.00 O ATOM 545 CB GLU A 34 40.786 28.768 18.367 1.00 0.00 C ATOM 546 CG GLU A 34 40.176 29.978 17.657 1.00 0.00 C ATOM 547 CD GLU A 34 40.923 31.249 18.052 1.00 0.00 C ATOM 548 OE1 GLU A 34 41.140 31.442 19.237 1.00 0.00 O ATOM 549 OE2 GLU A 34 41.265 32.012 17.162 1.00 0.00 O ATOM 0 H GLU A 34 41.259 27.567 16.094 1.00 0.00 H new ATOM 0 HA GLU A 34 42.821 29.333 17.875 1.00 0.00 H new ATOM 0 HB2 GLU A 34 40.135 27.901 18.254 1.00 0.00 H new ATOM 0 HB3 GLU A 34 40.870 28.966 19.436 1.00 0.00 H new ATOM 0 HG2 GLU A 34 40.225 29.839 16.577 1.00 0.00 H new ATOM 0 HG3 GLU A 34 39.122 30.070 17.919 1.00 0.00 H new ATOM 556 N GLY A 35 42.975 26.163 17.915 1.00 0.00 N ATOM 557 CA GLY A 35 43.606 25.017 18.571 1.00 0.00 C ATOM 558 C GLY A 35 42.783 24.491 19.751 1.00 0.00 C ATOM 559 O GLY A 35 43.268 23.664 20.522 1.00 0.00 O ATOM 0 H GLY A 35 42.687 25.997 16.951 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.745 24.217 17.844 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.597 25.304 18.922 1.00 0.00 H new ATOM 563 N ILE A 36 41.544 24.963 19.890 1.00 0.00 N ATOM 564 CA ILE A 36 40.681 24.520 20.980 1.00 0.00 C ATOM 565 C ILE A 36 39.913 23.248 20.574 1.00 0.00 C ATOM 566 O ILE A 36 39.073 23.304 19.676 1.00 0.00 O ATOM 567 CB ILE A 36 39.685 25.631 21.312 1.00 0.00 C ATOM 568 CG1 ILE A 36 40.451 26.921 21.615 1.00 0.00 C ATOM 569 CG2 ILE A 36 38.869 25.230 22.536 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.467 28.082 21.785 1.00 0.00 C ATOM 0 H ILE A 36 41.119 25.648 19.265 1.00 0.00 H new ATOM 0 HA ILE A 36 41.295 24.295 21.852 1.00 0.00 H new ATOM 0 HB ILE A 36 39.018 25.790 20.465 1.00 0.00 H new ATOM 0 HG12 ILE A 36 41.043 26.799 22.522 1.00 0.00 H new ATOM 0 HG13 ILE A 36 41.148 27.139 20.806 1.00 0.00 H new ATOM 0 HG21 ILE A 36 38.158 26.021 22.774 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.328 24.307 22.326 1.00 0.00 H new ATOM 0 HG23 ILE A 36 39.537 25.075 23.383 1.00 0.00 H new ATOM 0 HD11 ILE A 36 40.018 28.997 22.001 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.894 28.211 20.867 1.00 0.00 H new ATOM 0 HD13 ILE A 36 38.787 27.865 22.609 1.00 0.00 H new ATOM 582 N PRO A 37 40.168 22.108 21.195 1.00 0.00 N ATOM 583 CA PRO A 37 39.454 20.840 20.844 1.00 0.00 C ATOM 584 C PRO A 37 37.936 21.042 20.727 1.00 0.00 C ATOM 585 O PRO A 37 37.373 21.912 21.391 1.00 0.00 O ATOM 586 CB PRO A 37 39.803 19.897 22.003 1.00 0.00 C ATOM 587 CG PRO A 37 41.128 20.375 22.501 1.00 0.00 C ATOM 588 CD PRO A 37 41.147 21.890 22.281 1.00 0.00 C ATOM 0 HA PRO A 37 39.756 20.452 19.871 1.00 0.00 H new ATOM 0 HB2 PRO A 37 39.047 19.939 22.788 1.00 0.00 H new ATOM 0 HB3 PRO A 37 39.857 18.861 21.667 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.257 20.133 23.556 1.00 0.00 H new ATOM 0 HG3 PRO A 37 41.943 19.893 21.961 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.865 22.428 23.186 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.140 22.240 21.999 1.00 0.00 H new ATOM 596 N PRO A 38 37.267 20.268 19.900 1.00 0.00 N ATOM 597 CA PRO A 38 35.789 20.386 19.709 1.00 0.00 C ATOM 598 C PRO A 38 35.007 19.852 20.904 1.00 0.00 C ATOM 599 O PRO A 38 33.836 20.181 21.089 1.00 0.00 O ATOM 600 CB PRO A 38 35.531 19.548 18.451 1.00 0.00 C ATOM 601 CG PRO A 38 36.589 18.503 18.494 1.00 0.00 C ATOM 602 CD PRO A 38 37.829 19.193 19.061 1.00 0.00 C ATOM 0 HA PRO A 38 35.463 21.421 19.612 1.00 0.00 H new ATOM 0 HB2 PRO A 38 34.534 19.108 18.462 1.00 0.00 H new ATOM 0 HB3 PRO A 38 35.603 20.152 17.547 1.00 0.00 H new ATOM 0 HG2 PRO A 38 36.286 17.665 19.121 1.00 0.00 H new ATOM 0 HG3 PRO A 38 36.784 18.102 17.499 1.00 0.00 H new ATOM 0 HD2 PRO A 38 38.440 18.505 19.645 1.00 0.00 H new ATOM 0 HD3 PRO A 38 38.465 19.591 18.270 1.00 0.00 H new ATOM 610 N ASP A 39 35.655 19.014 21.707 1.00 0.00 N ATOM 611 CA ASP A 39 35.000 18.436 22.874 1.00 0.00 C ATOM 612 C ASP A 39 35.090 19.374 24.070 1.00 0.00 C ATOM 613 O ASP A 39 34.401 19.180 25.070 1.00 0.00 O ATOM 614 CB ASP A 39 35.649 17.096 23.228 1.00 0.00 C ATOM 615 CG ASP A 39 35.319 16.058 22.161 1.00 0.00 C ATOM 616 OD1 ASP A 39 34.473 16.341 21.328 1.00 0.00 O ATOM 617 OD2 ASP A 39 35.915 14.995 22.193 1.00 0.00 O ATOM 0 H ASP A 39 36.623 18.723 21.573 1.00 0.00 H new ATOM 0 HA ASP A 39 33.949 18.282 22.630 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.729 17.216 23.308 1.00 0.00 H new ATOM 0 HB3 ASP A 39 35.293 16.756 24.200 1.00 0.00 H new ATOM 622 N GLN A 40 35.944 20.396 23.970 1.00 0.00 N ATOM 623 CA GLN A 40 36.118 21.357 25.058 1.00 0.00 C ATOM 624 C GLN A 40 35.263 22.599 24.835 1.00 0.00 C ATOM 625 O GLN A 40 35.168 23.458 25.713 1.00 0.00 O ATOM 626 CB GLN A 40 37.588 21.781 25.136 1.00 0.00 C ATOM 627 CG GLN A 40 38.448 20.590 25.566 1.00 0.00 C ATOM 628 CD GLN A 40 38.278 20.338 27.060 1.00 0.00 C ATOM 629 OE1 GLN A 40 37.574 21.084 27.741 1.00 0.00 O ATOM 630 NE2 GLN A 40 38.886 19.325 27.615 1.00 0.00 N ATOM 0 H GLN A 40 36.523 20.577 23.150 1.00 0.00 H new ATOM 0 HA GLN A 40 35.809 20.877 25.986 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.921 22.151 24.166 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.703 22.600 25.846 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.161 19.701 25.004 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.496 20.786 25.339 1.00 0.00 H new ATOM 0 HE21 GLN A 40 39.469 18.708 27.049 1.00 0.00 H new ATOM 0 HE22 GLN A 40 38.778 19.151 28.614 1.00 0.00 H new ATOM 639 N GLN A 41 34.658 22.706 23.650 1.00 0.00 N ATOM 640 CA GLN A 41 33.835 23.873 23.316 1.00 0.00 C ATOM 641 C GLN A 41 32.452 23.470 22.815 1.00 0.00 C ATOM 642 O GLN A 41 32.250 22.370 22.302 1.00 0.00 O ATOM 643 CB GLN A 41 34.531 24.695 22.231 1.00 0.00 C ATOM 644 CG GLN A 41 34.773 23.820 20.999 1.00 0.00 C ATOM 645 CD GLN A 41 35.749 24.517 20.059 1.00 0.00 C ATOM 646 OE1 GLN A 41 35.629 25.717 19.817 1.00 0.00 O ATOM 647 NE2 GLN A 41 36.715 23.832 19.512 1.00 0.00 N ATOM 0 H GLN A 41 34.721 22.006 22.911 1.00 0.00 H new ATOM 0 HA GLN A 41 33.712 24.460 24.226 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.918 25.556 21.963 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.478 25.083 22.606 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.172 22.852 21.301 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.831 23.630 20.485 1.00 0.00 H new ATOM 0 HE21 GLN A 41 36.813 22.837 19.714 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.373 24.291 18.882 1.00 0.00 H new ATOM 656 N ARG A 42 31.513 24.402 22.957 1.00 0.00 N ATOM 657 CA ARG A 42 30.134 24.209 22.510 1.00 0.00 C ATOM 658 C ARG A 42 29.706 25.438 21.715 1.00 0.00 C ATOM 659 O ARG A 42 30.036 26.563 22.091 1.00 0.00 O ATOM 660 CB ARG A 42 29.206 24.017 23.718 1.00 0.00 C ATOM 661 CG ARG A 42 29.522 22.682 24.429 1.00 0.00 C ATOM 662 CD ARG A 42 28.696 21.545 23.814 1.00 0.00 C ATOM 663 NE ARG A 42 27.292 21.671 24.200 1.00 0.00 N ATOM 664 CZ ARG A 42 26.850 21.204 25.365 1.00 0.00 C ATOM 665 NH1 ARG A 42 25.588 21.320 25.679 1.00 0.00 N ATOM 666 NH2 ARG A 42 27.677 20.629 26.194 1.00 0.00 N ATOM 0 H ARG A 42 31.685 25.312 23.385 1.00 0.00 H new ATOM 0 HA ARG A 42 30.071 23.319 21.884 1.00 0.00 H new ATOM 0 HB2 ARG A 42 29.329 24.846 24.415 1.00 0.00 H new ATOM 0 HB3 ARG A 42 28.166 24.026 23.392 1.00 0.00 H new ATOM 0 HG2 ARG A 42 30.585 22.458 24.341 1.00 0.00 H new ATOM 0 HG3 ARG A 42 29.301 22.767 25.493 1.00 0.00 H new ATOM 0 HD2 ARG A 42 28.785 21.568 22.728 1.00 0.00 H new ATOM 0 HD3 ARG A 42 29.086 20.583 24.145 1.00 0.00 H new ATOM 0 HE ARG A 42 26.638 22.126 23.563 1.00 0.00 H new ATOM 0 HH11 ARG A 42 24.940 21.769 25.031 1.00 0.00 H new ATOM 0 HH12 ARG A 42 25.250 20.962 26.572 1.00 0.00 H new ATOM 0 HH21 ARG A 42 28.663 20.537 25.949 1.00 0.00 H new ATOM 0 HH22 ARG A 42 27.338 20.271 27.087 1.00 0.00 H new ATOM 680 N LEU A 43 28.981 25.234 20.613 1.00 0.00 N ATOM 681 CA LEU A 43 28.532 26.356 19.778 1.00 0.00 C ATOM 682 C LEU A 43 27.013 26.521 19.865 1.00 0.00 C ATOM 683 O LEU A 43 26.265 25.556 19.693 1.00 0.00 O ATOM 684 CB LEU A 43 28.931 26.105 18.319 1.00 0.00 C ATOM 685 CG LEU A 43 30.399 25.665 18.246 1.00 0.00 C ATOM 686 CD1 LEU A 43 30.795 25.459 16.781 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.297 26.741 18.870 1.00 0.00 C ATOM 0 H LEU A 43 28.694 24.314 20.279 1.00 0.00 H new ATOM 0 HA LEU A 43 29.007 27.268 20.141 1.00 0.00 H new ATOM 0 HB2 LEU A 43 28.290 25.337 17.885 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.785 27.012 17.732 1.00 0.00 H new ATOM 0 HG LEU A 43 30.522 24.732 18.795 1.00 0.00 H new ATOM 0 HD11 LEU A 43 31.838 25.146 16.726 1.00 0.00 H new ATOM 0 HD12 LEU A 43 30.162 24.690 16.338 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.667 26.394 16.235 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.338 26.423 18.815 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.175 27.677 18.326 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.017 26.888 19.913 1.00 0.00 H new ATOM 699 N ILE A 44 26.562 27.751 20.146 1.00 0.00 N ATOM 700 CA ILE A 44 25.126 28.038 20.267 1.00 0.00 C ATOM 701 C ILE A 44 24.728 29.254 19.423 1.00 0.00 C ATOM 702 O ILE A 44 25.496 30.206 19.269 1.00 0.00 O ATOM 703 CB ILE A 44 24.773 28.291 21.735 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.453 27.224 22.604 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.252 28.218 21.917 1.00 0.00 C ATOM 706 CD1 ILE A 44 24.921 27.288 24.040 1.00 0.00 C ATOM 0 H ILE A 44 27.167 28.559 20.293 1.00 0.00 H new ATOM 0 HA ILE A 44 24.574 27.173 19.898 1.00 0.00 H new ATOM 0 HB ILE A 44 25.120 29.280 22.034 1.00 0.00 H new ATOM 0 HG12 ILE A 44 25.271 26.234 22.185 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.532 27.377 22.602 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.002 28.398 22.962 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.774 28.974 21.294 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.898 27.230 21.624 1.00 0.00 H new ATOM 0 HD11 ILE A 44 25.412 26.526 24.644 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.126 28.272 24.461 1.00 0.00 H new ATOM 0 HD13 ILE A 44 23.845 27.112 24.038 1.00 0.00 H new ATOM 718 N PHE A 45 23.506 29.201 18.896 1.00 0.00 N ATOM 719 CA PHE A 45 22.954 30.277 18.072 1.00 0.00 C ATOM 720 C PHE A 45 21.438 30.278 18.221 1.00 0.00 C ATOM 721 O PHE A 45 20.832 29.218 18.377 1.00 0.00 O ATOM 722 CB PHE A 45 23.318 30.056 16.601 1.00 0.00 C ATOM 723 CG PHE A 45 22.704 31.144 15.745 1.00 0.00 C ATOM 724 CD1 PHE A 45 23.313 32.403 15.667 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.530 30.890 15.024 1.00 0.00 C ATOM 726 CE1 PHE A 45 22.749 33.406 14.867 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.966 31.894 14.225 1.00 0.00 C ATOM 728 CZ PHE A 45 21.575 33.152 14.148 1.00 0.00 C ATOM 0 H PHE A 45 22.871 28.413 19.027 1.00 0.00 H new ATOM 0 HA PHE A 45 23.367 31.232 18.398 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.402 30.057 16.482 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.962 29.079 16.273 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.217 32.601 16.223 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.059 29.920 15.084 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.220 34.376 14.805 1.00 0.00 H new ATOM 0 HE2 PHE A 45 20.061 31.697 13.669 1.00 0.00 H new ATOM 0 HZ PHE A 45 21.139 33.926 13.534 1.00 0.00 H new ATOM 738 N ALA A 46 20.817 31.450 18.180 1.00 0.00 N ATOM 739 CA ALA A 46 19.368 31.513 18.329 1.00 0.00 C ATOM 740 C ALA A 46 18.956 30.719 19.565 1.00 0.00 C ATOM 741 O ALA A 46 17.906 30.076 19.597 1.00 0.00 O ATOM 742 CB ALA A 46 18.685 30.943 17.082 1.00 0.00 C ATOM 0 H ALA A 46 21.279 32.350 18.048 1.00 0.00 H new ATOM 0 HA ALA A 46 19.059 32.552 18.447 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.603 30.995 17.204 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.980 31.524 16.208 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.985 29.904 16.945 1.00 0.00 H new ATOM 748 N GLY A 47 19.809 30.793 20.584 1.00 0.00 N ATOM 749 CA GLY A 47 19.574 30.117 21.855 1.00 0.00 C ATOM 750 C GLY A 47 19.565 28.589 21.740 1.00 0.00 C ATOM 751 O GLY A 47 19.228 27.908 22.708 1.00 0.00 O ATOM 0 H GLY A 47 20.680 31.322 20.551 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.345 30.416 22.565 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.619 30.449 22.263 1.00 0.00 H new ATOM 755 N LYS A 48 19.933 28.044 20.574 1.00 0.00 N ATOM 756 CA LYS A 48 19.949 26.577 20.392 1.00 0.00 C ATOM 757 C LYS A 48 21.354 26.057 20.107 1.00 0.00 C ATOM 758 O LYS A 48 22.122 26.670 19.365 1.00 0.00 O ATOM 759 CB LYS A 48 19.044 26.168 19.234 1.00 0.00 C ATOM 760 CG LYS A 48 17.584 26.452 19.584 1.00 0.00 C ATOM 761 CD LYS A 48 16.722 26.236 18.336 1.00 0.00 C ATOM 762 CE LYS A 48 16.682 24.745 17.980 1.00 0.00 C ATOM 763 NZ LYS A 48 15.517 24.483 17.091 1.00 0.00 N ATOM 0 H LYS A 48 20.219 28.579 19.754 1.00 0.00 H new ATOM 0 HA LYS A 48 19.589 26.143 21.325 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.323 26.715 18.333 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.175 25.108 19.017 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.254 25.794 20.388 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.475 27.475 19.945 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.711 26.603 18.514 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.127 26.807 17.501 1.00 0.00 H new ATOM 0 HE2 LYS A 48 17.607 24.453 17.482 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.605 24.145 18.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.487 23.472 16.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.639 24.747 17.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.610 25.046 16.222 1.00 0.00 H new ATOM 777 N GLN A 49 21.668 24.903 20.694 1.00 0.00 N ATOM 778 CA GLN A 49 22.961 24.271 20.501 1.00 0.00 C ATOM 779 C GLN A 49 22.971 23.495 19.185 1.00 0.00 C ATOM 780 O GLN A 49 22.031 22.760 18.885 1.00 0.00 O ATOM 781 CB GLN A 49 23.242 23.312 21.662 1.00 0.00 C ATOM 782 CG GLN A 49 24.697 22.842 21.610 1.00 0.00 C ATOM 783 CD GLN A 49 24.896 21.654 22.546 1.00 0.00 C ATOM 784 OE1 GLN A 49 24.126 21.469 23.489 1.00 0.00 O ATOM 785 NE2 GLN A 49 25.890 20.834 22.342 1.00 0.00 N ATOM 0 H GLN A 49 21.037 24.389 21.309 1.00 0.00 H new ATOM 0 HA GLN A 49 23.732 25.040 20.469 1.00 0.00 H new ATOM 0 HB2 GLN A 49 23.045 23.810 22.612 1.00 0.00 H new ATOM 0 HB3 GLN A 49 22.572 22.454 21.607 1.00 0.00 H new ATOM 0 HG2 GLN A 49 24.960 22.560 20.591 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.361 23.657 21.897 1.00 0.00 H new ATOM 0 HE21 GLN A 49 26.527 20.989 21.560 1.00 0.00 H new ATOM 0 HE22 GLN A 49 26.030 20.038 22.964 1.00 0.00 H new ATOM 794 N LEU A 50 24.028 23.666 18.402 1.00 0.00 N ATOM 795 CA LEU A 50 24.127 22.978 17.116 1.00 0.00 C ATOM 796 C LEU A 50 24.478 21.502 17.310 1.00 0.00 C ATOM 797 O LEU A 50 25.436 21.164 18.006 1.00 0.00 O ATOM 798 CB LEU A 50 25.183 23.656 16.240 1.00 0.00 C ATOM 799 CG LEU A 50 25.068 25.177 16.388 1.00 0.00 C ATOM 800 CD1 LEU A 50 26.033 25.861 15.418 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.634 25.618 16.077 1.00 0.00 C ATOM 0 H LEU A 50 24.821 24.267 18.628 1.00 0.00 H new ATOM 0 HA LEU A 50 23.157 23.036 16.622 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.180 23.326 16.532 1.00 0.00 H new ATOM 0 HB3 LEU A 50 25.045 23.370 15.197 1.00 0.00 H new ATOM 0 HG LEU A 50 25.320 25.459 17.410 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.950 26.943 15.524 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.054 25.552 15.642 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.784 25.577 14.396 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.555 26.700 16.183 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.379 25.334 15.056 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.946 25.134 16.771 1.00 0.00 H new ATOM 813 N GLU A 51 23.680 20.628 16.692 1.00 0.00 N ATOM 814 CA GLU A 51 23.890 19.182 16.799 1.00 0.00 C ATOM 815 C GLU A 51 24.850 18.674 15.727 1.00 0.00 C ATOM 816 O GLU A 51 24.812 19.098 14.568 1.00 0.00 O ATOM 817 CB GLU A 51 22.546 18.449 16.664 1.00 0.00 C ATOM 818 CG GLU A 51 21.817 18.458 18.007 1.00 0.00 C ATOM 819 CD GLU A 51 20.468 17.758 17.875 1.00 0.00 C ATOM 820 OE1 GLU A 51 20.167 17.292 16.788 1.00 0.00 O ATOM 821 OE2 GLU A 51 19.754 17.699 18.863 1.00 0.00 O ATOM 0 H GLU A 51 22.884 20.896 16.113 1.00 0.00 H new ATOM 0 HA GLU A 51 24.330 18.982 17.776 1.00 0.00 H new ATOM 0 HB2 GLU A 51 21.933 18.931 15.903 1.00 0.00 H new ATOM 0 HB3 GLU A 51 22.712 17.423 16.336 1.00 0.00 H new ATOM 0 HG2 GLU A 51 22.423 17.957 18.762 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.672 19.484 18.344 1.00 0.00 H new ATOM 828 N ASP A 52 25.699 17.741 16.129 1.00 0.00 N ATOM 829 CA ASP A 52 26.662 17.153 15.221 1.00 0.00 C ATOM 830 C ASP A 52 25.953 16.382 14.110 1.00 0.00 C ATOM 831 O ASP A 52 25.020 15.621 14.368 1.00 0.00 O ATOM 832 CB ASP A 52 27.589 16.208 15.989 1.00 0.00 C ATOM 833 CG ASP A 52 28.361 16.985 17.050 1.00 0.00 C ATOM 834 OD1 ASP A 52 28.874 18.043 16.724 1.00 0.00 O ATOM 835 OD2 ASP A 52 28.428 16.510 18.172 1.00 0.00 O ATOM 0 H ASP A 52 25.738 17.376 17.081 1.00 0.00 H new ATOM 0 HA ASP A 52 27.248 17.955 14.772 1.00 0.00 H new ATOM 0 HB2 ASP A 52 27.006 15.415 16.459 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.284 15.727 15.300 1.00 0.00 H new ATOM 840 N GLY A 53 26.409 16.572 12.873 1.00 0.00 N ATOM 841 CA GLY A 53 25.821 15.880 11.725 1.00 0.00 C ATOM 842 C GLY A 53 24.825 16.764 10.976 1.00 0.00 C ATOM 843 O GLY A 53 24.386 16.412 9.881 1.00 0.00 O ATOM 0 H GLY A 53 27.181 17.197 12.639 1.00 0.00 H new ATOM 0 HA2 GLY A 53 26.613 15.568 11.044 1.00 0.00 H new ATOM 0 HA3 GLY A 53 25.318 14.975 12.065 1.00 0.00 H new ATOM 847 N ARG A 54 24.476 17.919 11.550 1.00 0.00 N ATOM 848 CA ARG A 54 23.537 18.832 10.889 1.00 0.00 C ATOM 849 C ARG A 54 24.294 19.879 10.068 1.00 0.00 C ATOM 850 O ARG A 54 25.440 20.209 10.370 1.00 0.00 O ATOM 851 CB ARG A 54 22.664 19.537 11.928 1.00 0.00 C ATOM 852 CG ARG A 54 21.787 18.508 12.645 1.00 0.00 C ATOM 853 CD ARG A 54 20.731 19.231 13.483 1.00 0.00 C ATOM 854 NE ARG A 54 19.669 19.745 12.625 1.00 0.00 N ATOM 855 CZ ARG A 54 18.508 20.142 13.135 1.00 0.00 C ATOM 856 NH1 ARG A 54 17.559 20.566 12.346 1.00 0.00 N ATOM 857 NH2 ARG A 54 18.322 20.116 14.426 1.00 0.00 N ATOM 0 H ARG A 54 24.822 18.241 12.454 1.00 0.00 H new ATOM 0 HA ARG A 54 22.904 18.245 10.223 1.00 0.00 H new ATOM 0 HB2 ARG A 54 23.291 20.061 12.649 1.00 0.00 H new ATOM 0 HB3 ARG A 54 22.039 20.288 11.444 1.00 0.00 H new ATOM 0 HG2 ARG A 54 21.305 17.856 11.917 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.401 17.873 13.284 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.312 18.547 14.222 1.00 0.00 H new ATOM 0 HD3 ARG A 54 21.192 20.051 14.033 1.00 0.00 H new ATOM 0 HE ARG A 54 19.820 19.801 11.618 1.00 0.00 H new ATOM 0 HH11 ARG A 54 17.708 20.593 11.337 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.668 20.871 12.738 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.067 19.791 15.042 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.431 20.420 14.819 1.00 0.00 H new ATOM 871 N THR A 55 23.635 20.409 9.036 1.00 0.00 N ATOM 872 CA THR A 55 24.238 21.436 8.180 1.00 0.00 C ATOM 873 C THR A 55 23.761 22.816 8.621 1.00 0.00 C ATOM 874 O THR A 55 22.724 22.933 9.270 1.00 0.00 O ATOM 875 CB THR A 55 23.834 21.200 6.721 1.00 0.00 C ATOM 876 OG1 THR A 55 22.423 21.058 6.641 1.00 0.00 O ATOM 877 CG2 THR A 55 24.508 19.927 6.199 1.00 0.00 C ATOM 0 H THR A 55 22.686 20.146 8.772 1.00 0.00 H new ATOM 0 HA THR A 55 25.323 21.381 8.267 1.00 0.00 H new ATOM 0 HB THR A 55 24.151 22.049 6.115 1.00 0.00 H new ATOM 0 HG1 THR A 55 22.045 21.818 6.151 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.219 19.762 5.161 1.00 0.00 H new ATOM 0 HG22 THR A 55 25.591 20.037 6.261 1.00 0.00 H new ATOM 0 HG23 THR A 55 24.195 19.076 6.803 1.00 0.00 H new ATOM 885 N LEU A 56 24.503 23.863 8.267 1.00 0.00 N ATOM 886 CA LEU A 56 24.098 25.211 8.655 1.00 0.00 C ATOM 887 C LEU A 56 22.701 25.514 8.102 1.00 0.00 C ATOM 888 O LEU A 56 21.886 26.130 8.787 1.00 0.00 O ATOM 889 CB LEU A 56 25.126 26.263 8.164 1.00 0.00 C ATOM 890 CG LEU A 56 26.137 26.599 9.279 1.00 0.00 C ATOM 891 CD1 LEU A 56 27.037 25.387 9.545 1.00 0.00 C ATOM 892 CD2 LEU A 56 26.995 27.795 8.842 1.00 0.00 C ATOM 0 H LEU A 56 25.366 23.808 7.726 1.00 0.00 H new ATOM 0 HA LEU A 56 24.065 25.265 9.743 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.654 25.882 7.290 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.606 27.169 7.853 1.00 0.00 H new ATOM 0 HG LEU A 56 25.600 26.851 10.193 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.750 25.629 10.333 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.425 24.541 9.856 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.577 25.128 8.634 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.711 28.036 9.628 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.531 27.543 7.927 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.353 28.657 8.660 1.00 0.00 H new ATOM 904 N SER A 57 22.428 25.094 6.863 1.00 0.00 N ATOM 905 CA SER A 57 21.122 25.349 6.260 1.00 0.00 C ATOM 906 C SER A 57 20.011 24.973 7.226 1.00 0.00 C ATOM 907 O SER A 57 18.979 25.643 7.290 1.00 0.00 O ATOM 908 CB SER A 57 20.959 24.538 4.972 1.00 0.00 C ATOM 909 OG SER A 57 20.957 23.152 5.288 1.00 0.00 O ATOM 0 H SER A 57 23.083 24.585 6.269 1.00 0.00 H new ATOM 0 HA SER A 57 21.059 26.412 6.029 1.00 0.00 H new ATOM 0 HB2 SER A 57 20.029 24.810 4.472 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.771 24.764 4.281 1.00 0.00 H new ATOM 0 HG SER A 57 20.851 22.629 4.466 1.00 0.00 H new ATOM 915 N ASP A 58 20.229 23.908 7.992 1.00 0.00 N ATOM 916 CA ASP A 58 19.235 23.470 8.960 1.00 0.00 C ATOM 917 C ASP A 58 18.860 24.643 9.854 1.00 0.00 C ATOM 918 O ASP A 58 17.688 24.862 10.162 1.00 0.00 O ATOM 919 CB ASP A 58 19.801 22.327 9.810 1.00 0.00 C ATOM 920 CG ASP A 58 20.210 21.158 8.915 1.00 0.00 C ATOM 921 OD1 ASP A 58 19.627 21.017 7.853 1.00 0.00 O ATOM 922 OD2 ASP A 58 21.098 20.420 9.306 1.00 0.00 O ATOM 0 H ASP A 58 21.075 23.340 7.961 1.00 0.00 H new ATOM 0 HA ASP A 58 18.349 23.112 8.436 1.00 0.00 H new ATOM 0 HB2 ASP A 58 20.662 22.678 10.378 1.00 0.00 H new ATOM 0 HB3 ASP A 58 19.055 21.998 10.533 1.00 0.00 H new ATOM 927 N TYR A 59 19.880 25.399 10.251 1.00 0.00 N ATOM 928 CA TYR A 59 19.704 26.575 11.102 1.00 0.00 C ATOM 929 C TYR A 59 19.874 27.844 10.267 1.00 0.00 C ATOM 930 O TYR A 59 20.990 28.166 9.887 1.00 0.00 O ATOM 931 CB TYR A 59 20.773 26.562 12.197 1.00 0.00 C ATOM 932 CG TYR A 59 20.647 25.304 13.025 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.625 24.301 12.941 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.555 25.143 13.883 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.506 23.141 13.714 1.00 0.00 C ATOM 936 CE2 TYR A 59 19.436 23.982 14.655 1.00 0.00 C ATOM 937 CZ TYR A 59 20.412 22.981 14.572 1.00 0.00 C ATOM 938 OH TYR A 59 20.294 21.838 15.335 1.00 0.00 O ATOM 0 H TYR A 59 20.850 25.215 9.993 1.00 0.00 H new ATOM 0 HA TYR A 59 18.708 26.556 11.544 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.765 26.615 11.749 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.664 27.440 12.834 1.00 0.00 H new ATOM 0 HD1 TYR A 59 22.470 24.425 12.279 1.00 0.00 H new ATOM 0 HD2 TYR A 59 18.803 25.915 13.950 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.258 22.369 13.649 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.591 23.858 15.316 1.00 0.00 H new ATOM 0 HH TYR A 59 19.478 21.888 15.875 1.00 0.00 H new ATOM 948 N ASN A 60 18.759 28.511 9.936 1.00 0.00 N ATOM 949 CA ASN A 60 18.783 29.719 9.086 1.00 0.00 C ATOM 950 C ASN A 60 19.827 30.768 9.519 1.00 0.00 C ATOM 951 O ASN A 60 19.479 31.884 9.907 1.00 0.00 O ATOM 952 CB ASN A 60 17.395 30.370 9.056 1.00 0.00 C ATOM 953 CG ASN A 60 16.394 29.445 8.367 1.00 0.00 C ATOM 954 OD1 ASN A 60 16.503 29.194 7.167 1.00 0.00 O ATOM 955 ND2 ASN A 60 15.415 28.925 9.058 1.00 0.00 N ATOM 0 H ASN A 60 17.826 28.237 10.243 1.00 0.00 H new ATOM 0 HA ASN A 60 19.073 29.378 8.092 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.064 30.584 10.072 1.00 0.00 H new ATOM 0 HB3 ASN A 60 17.443 31.323 8.529 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.740 28.310 8.603 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.326 29.134 10.052 1.00 0.00 H new ATOM 962 N ILE A 61 21.101 30.395 9.424 1.00 0.00 N ATOM 963 CA ILE A 61 22.218 31.277 9.768 1.00 0.00 C ATOM 964 C ILE A 61 22.767 31.903 8.486 1.00 0.00 C ATOM 965 O ILE A 61 23.415 31.223 7.694 1.00 0.00 O ATOM 966 CB ILE A 61 23.332 30.460 10.432 1.00 0.00 C ATOM 967 CG1 ILE A 61 22.846 29.892 11.767 1.00 0.00 C ATOM 968 CG2 ILE A 61 24.556 31.350 10.673 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.850 28.845 12.259 1.00 0.00 C ATOM 0 H ILE A 61 21.391 29.470 9.106 1.00 0.00 H new ATOM 0 HA ILE A 61 21.873 32.052 10.452 1.00 0.00 H new ATOM 0 HB ILE A 61 23.604 29.637 9.771 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.745 30.691 12.502 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.860 29.442 11.648 1.00 0.00 H new ATOM 0 HG21 ILE A 61 25.345 30.764 11.145 1.00 0.00 H new ATOM 0 HG22 ILE A 61 24.915 31.741 9.721 1.00 0.00 H new ATOM 0 HG23 ILE A 61 24.280 32.179 11.325 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.511 28.435 13.210 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.928 28.043 11.525 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.826 29.311 12.392 1.00 0.00 H new ATOM 981 N GLN A 62 22.485 33.187 8.260 1.00 0.00 N ATOM 982 CA GLN A 62 22.950 33.847 7.033 1.00 0.00 C ATOM 983 C GLN A 62 24.349 34.431 7.186 1.00 0.00 C ATOM 984 O GLN A 62 24.931 34.425 8.271 1.00 0.00 O ATOM 985 CB GLN A 62 21.983 34.956 6.622 1.00 0.00 C ATOM 986 CG GLN A 62 20.569 34.386 6.514 1.00 0.00 C ATOM 987 CD GLN A 62 20.512 33.340 5.407 1.00 0.00 C ATOM 988 OE1 GLN A 62 21.311 33.380 4.471 1.00 0.00 O ATOM 989 NE2 GLN A 62 19.610 32.399 5.458 1.00 0.00 N ATOM 0 H GLN A 62 21.950 33.782 8.892 1.00 0.00 H new ATOM 0 HA GLN A 62 22.986 33.081 6.259 1.00 0.00 H new ATOM 0 HB2 GLN A 62 22.006 35.763 7.354 1.00 0.00 H new ATOM 0 HB3 GLN A 62 22.288 35.383 5.667 1.00 0.00 H new ATOM 0 HG2 GLN A 62 20.275 33.939 7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 62 19.860 35.187 6.306 1.00 0.00 H new ATOM 0 HE21 GLN A 62 18.949 32.368 6.234 1.00 0.00 H new ATOM 0 HE22 GLN A 62 19.566 31.695 4.722 1.00 0.00 H new ATOM 998 N LYS A 63 24.883 34.909 6.066 1.00 0.00 N ATOM 999 CA LYS A 63 26.227 35.472 6.043 1.00 0.00 C ATOM 1000 C LYS A 63 26.367 36.650 7.001 1.00 0.00 C ATOM 1001 O LYS A 63 25.428 37.418 7.218 1.00 0.00 O ATOM 1002 CB LYS A 63 26.614 35.893 4.616 1.00 0.00 C ATOM 1003 CG LYS A 63 25.818 37.121 4.160 1.00 0.00 C ATOM 1004 CD LYS A 63 26.126 37.379 2.679 1.00 0.00 C ATOM 1005 CE LYS A 63 25.342 38.594 2.178 1.00 0.00 C ATOM 1006 NZ LYS A 63 23.895 38.251 2.088 1.00 0.00 N ATOM 0 H LYS A 63 24.406 34.917 5.165 1.00 0.00 H new ATOM 0 HA LYS A 63 26.911 34.692 6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 63 27.681 36.114 4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.434 35.066 3.930 1.00 0.00 H new ATOM 0 HG2 LYS A 63 24.750 36.954 4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 63 26.087 37.991 4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 63 27.195 37.547 2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 63 25.866 36.501 2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 63 25.485 39.436 2.855 1.00 0.00 H new ATOM 0 HE3 LYS A 63 25.715 38.903 1.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.394 38.995 1.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 23.784 37.343 1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 23.496 38.175 3.045 1.00 0.00 H new ATOM 1020 N GLU A 64 27.570 36.778 7.554 1.00 0.00 N ATOM 1021 CA GLU A 64 27.892 37.855 8.483 1.00 0.00 C ATOM 1022 C GLU A 64 26.987 37.847 9.714 1.00 0.00 C ATOM 1023 O GLU A 64 26.169 38.747 9.901 1.00 0.00 O ATOM 1024 CB GLU A 64 27.810 39.203 7.769 1.00 0.00 C ATOM 1025 CG GLU A 64 28.919 39.269 6.716 1.00 0.00 C ATOM 1026 CD GLU A 64 28.746 40.504 5.839 1.00 0.00 C ATOM 1027 OE1 GLU A 64 27.675 41.085 5.873 1.00 0.00 O ATOM 1028 OE2 GLU A 64 29.689 40.849 5.146 1.00 0.00 O ATOM 0 H GLU A 64 28.345 36.141 7.371 1.00 0.00 H new ATOM 0 HA GLU A 64 28.911 37.692 8.834 1.00 0.00 H new ATOM 0 HB2 GLU A 64 26.834 39.322 7.298 1.00 0.00 H new ATOM 0 HB3 GLU A 64 27.920 40.017 8.485 1.00 0.00 H new ATOM 0 HG2 GLU A 64 29.893 39.296 7.205 1.00 0.00 H new ATOM 0 HG3 GLU A 64 28.897 38.371 6.099 1.00 0.00 H new HETATM 1035 N SEP A 65 27.167 36.836 10.569 1.00 0.00 N HETATM 1036 CA SEP A 65 26.400 36.711 11.810 1.00 0.00 C HETATM 1037 CB SEP A 65 25.367 35.587 11.683 1.00 0.00 C HETATM 1038 OG SEP A 65 24.271 36.042 10.897 1.00 0.00 O HETATM 1039 C SEP A 65 27.372 36.394 12.946 1.00 0.00 C HETATM 1040 O SEP A 65 28.470 35.900 12.692 1.00 0.00 O HETATM 1041 P SEP A 65 23.164 36.904 11.529 1.00 0.00 P HETATM 1042 O1P SEP A 65 23.074 38.185 10.631 1.00 0.00 O HETATM 1043 O2P SEP A 65 23.650 37.207 12.988 1.00 0.00 O HETATM 1044 O3P SEP A 65 21.871 36.020 11.478 1.00 0.00 O HETATM 0 HB3 SEP A 65 25.821 34.710 11.221 1.00 0.00 H new HETATM 0 HB2 SEP A 65 25.020 35.283 12.671 1.00 0.00 H new HETATM 0 HA SEP A 65 25.872 37.642 12.014 1.00 0.00 H new ATOM 1049 N THR A 66 26.985 36.666 14.192 1.00 0.00 N ATOM 1050 CA THR A 66 27.869 36.381 15.329 1.00 0.00 C ATOM 1051 C THR A 66 27.472 35.072 16.006 1.00 0.00 C ATOM 1052 O THR A 66 26.334 34.908 16.449 1.00 0.00 O ATOM 1053 CB THR A 66 27.806 37.521 16.345 1.00 0.00 C ATOM 1054 OG1 THR A 66 28.195 38.733 15.712 1.00 0.00 O ATOM 1055 CG2 THR A 66 28.759 37.221 17.506 1.00 0.00 C ATOM 0 H THR A 66 26.084 37.075 14.440 1.00 0.00 H new ATOM 0 HA THR A 66 28.888 36.288 14.953 1.00 0.00 H new ATOM 0 HB THR A 66 26.790 37.618 16.727 1.00 0.00 H new ATOM 0 HG1 THR A 66 28.155 39.468 16.359 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.715 38.033 18.232 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.464 36.288 17.987 1.00 0.00 H new ATOM 0 HG23 THR A 66 29.777 37.128 17.127 1.00 0.00 H new ATOM 1063 N LEU A 67 28.428 34.146 16.092 1.00 0.00 N ATOM 1064 CA LEU A 67 28.193 32.847 16.722 1.00 0.00 C ATOM 1065 C LEU A 67 28.694 32.877 18.165 1.00 0.00 C ATOM 1066 O LEU A 67 29.678 33.551 18.466 1.00 0.00 O ATOM 1067 CB LEU A 67 28.942 31.752 15.940 1.00 0.00 C ATOM 1068 CG LEU A 67 28.112 31.291 14.730 1.00 0.00 C ATOM 1069 CD1 LEU A 67 26.840 30.554 15.202 1.00 0.00 C ATOM 1070 CD2 LEU A 67 27.733 32.515 13.884 1.00 0.00 C ATOM 0 H LEU A 67 29.374 34.272 15.732 1.00 0.00 H new ATOM 0 HA LEU A 67 27.125 32.631 16.715 1.00 0.00 H new ATOM 0 HB2 LEU A 67 29.906 32.132 15.603 1.00 0.00 H new ATOM 0 HB3 LEU A 67 29.145 30.904 16.594 1.00 0.00 H new ATOM 0 HG LEU A 67 28.703 30.601 14.127 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.262 30.234 14.335 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.122 29.682 15.792 1.00 0.00 H new ATOM 0 HD13 LEU A 67 26.236 31.225 15.812 1.00 0.00 H new ATOM 0 HD21 LEU A 67 27.144 32.195 13.024 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.146 33.207 14.488 1.00 0.00 H new ATOM 0 HD23 LEU A 67 28.639 33.013 13.538 1.00 0.00 H new ATOM 1082 N HIS A 68 28.024 32.146 19.064 1.00 0.00 N ATOM 1083 CA HIS A 68 28.440 32.115 20.464 1.00 0.00 C ATOM 1084 C HIS A 68 29.320 30.890 20.728 1.00 0.00 C ATOM 1085 O HIS A 68 28.888 29.756 20.517 1.00 0.00 O ATOM 1086 CB HIS A 68 27.210 32.060 21.373 1.00 0.00 C ATOM 1087 CG HIS A 68 26.358 33.279 21.142 1.00 0.00 C ATOM 1088 ND1 HIS A 68 26.809 34.561 21.418 1.00 0.00 N ATOM 1089 CD2 HIS A 68 25.080 33.427 20.661 1.00 0.00 C ATOM 1090 CE1 HIS A 68 25.818 35.416 21.104 1.00 0.00 C ATOM 1091 NE2 HIS A 68 24.741 34.777 20.638 1.00 0.00 N ATOM 0 H HIS A 68 27.205 31.578 18.849 1.00 0.00 H new ATOM 0 HA HIS A 68 29.010 33.019 20.677 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.634 31.157 21.169 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.519 32.012 22.417 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.436 32.619 20.348 1.00 0.00 H new ATOM 0 HE1 HIS A 68 25.885 36.488 21.215 1.00 0.00 H new ATOM 0 HE2 HIS A 68 23.860 35.190 20.331 1.00 0.00 H new ATOM 1100 N LEU A 69 30.555 31.115 21.195 1.00 0.00 N ATOM 1101 CA LEU A 69 31.476 30.035 21.492 1.00 0.00 C ATOM 1102 C LEU A 69 31.664 29.967 22.995 1.00 0.00 C ATOM 1103 O LEU A 69 32.329 30.810 23.599 1.00 0.00 O ATOM 1104 CB LEU A 69 32.820 30.286 20.798 1.00 0.00 C ATOM 1105 CG LEU A 69 33.631 28.979 20.716 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.905 29.221 19.900 1.00 0.00 C ATOM 1107 CD2 LEU A 69 34.011 28.505 22.129 1.00 0.00 C ATOM 0 H LEU A 69 30.932 32.046 21.373 1.00 0.00 H new ATOM 0 HA LEU A 69 31.076 29.089 21.126 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.652 30.681 19.796 1.00 0.00 H new ATOM 0 HB3 LEU A 69 33.385 31.039 21.347 1.00 0.00 H new ATOM 0 HG LEU A 69 33.025 28.212 20.234 1.00 0.00 H new ATOM 0 HD11 LEU A 69 35.480 28.297 19.841 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.637 29.546 18.895 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.505 29.992 20.383 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.584 27.580 22.061 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.613 29.270 22.620 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.105 28.329 22.709 1.00 0.00 H new ATOM 1119 N VAL A 70 31.070 28.948 23.581 1.00 0.00 N ATOM 1120 CA VAL A 70 31.150 28.723 25.021 1.00 0.00 C ATOM 1121 C VAL A 70 32.091 27.559 25.311 1.00 0.00 C ATOM 1122 O VAL A 70 32.131 26.581 24.564 1.00 0.00 O ATOM 1123 CB VAL A 70 29.756 28.420 25.570 1.00 0.00 C ATOM 1124 CG1 VAL A 70 29.842 28.140 27.070 1.00 0.00 C ATOM 1125 CG2 VAL A 70 28.846 29.627 25.328 1.00 0.00 C ATOM 0 H VAL A 70 30.519 28.251 23.080 1.00 0.00 H new ATOM 0 HA VAL A 70 31.538 29.619 25.506 1.00 0.00 H new ATOM 0 HB VAL A 70 29.349 27.545 25.064 1.00 0.00 H new ATOM 0 HG11 VAL A 70 28.846 27.924 27.458 1.00 0.00 H new ATOM 0 HG12 VAL A 70 30.492 27.283 27.243 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.249 29.013 27.580 1.00 0.00 H new ATOM 0 HG21 VAL A 70 27.850 29.416 25.718 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.257 30.500 25.835 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.782 29.826 24.258 1.00 0.00 H new ATOM 1135 N LEU A 71 32.849 27.673 26.393 1.00 0.00 N ATOM 1136 CA LEU A 71 33.792 26.624 26.766 1.00 0.00 C ATOM 1137 C LEU A 71 33.047 25.384 27.249 1.00 0.00 C ATOM 1138 O LEU A 71 31.817 25.361 27.298 1.00 0.00 O ATOM 1139 CB LEU A 71 34.731 27.128 27.881 1.00 0.00 C ATOM 1140 CG LEU A 71 33.994 28.168 28.756 1.00 0.00 C ATOM 1141 CD1 LEU A 71 34.547 28.124 30.185 1.00 0.00 C ATOM 1142 CD2 LEU A 71 34.196 29.580 28.173 1.00 0.00 C ATOM 0 H LEU A 71 32.831 28.474 27.024 1.00 0.00 H new ATOM 0 HA LEU A 71 34.382 26.363 25.887 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.062 26.291 28.496 1.00 0.00 H new ATOM 0 HB3 LEU A 71 35.624 27.575 27.443 1.00 0.00 H new ATOM 0 HG LEU A 71 32.930 27.932 28.769 1.00 0.00 H new ATOM 0 HD11 LEU A 71 34.026 28.858 30.800 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.397 27.129 30.603 1.00 0.00 H new ATOM 0 HD13 LEU A 71 35.612 28.354 30.170 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.674 30.308 28.794 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.260 29.816 28.153 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.797 29.616 27.159 1.00 0.00 H new ATOM 1154 N ARG A 72 33.810 24.361 27.614 1.00 0.00 N ATOM 1155 CA ARG A 72 33.225 23.123 28.102 1.00 0.00 C ATOM 1156 C ARG A 72 32.178 23.421 29.167 1.00 0.00 C ATOM 1157 O ARG A 72 31.057 22.916 29.107 1.00 0.00 O ATOM 1158 CB ARG A 72 34.318 22.232 28.696 1.00 0.00 C ATOM 1159 CG ARG A 72 33.738 20.854 29.015 1.00 0.00 C ATOM 1160 CD ARG A 72 34.813 19.988 29.673 1.00 0.00 C ATOM 1161 NE ARG A 72 35.058 20.437 31.039 1.00 0.00 N ATOM 1162 CZ ARG A 72 35.808 19.724 31.873 1.00 0.00 C ATOM 1163 NH1 ARG A 72 36.015 20.149 33.089 1.00 0.00 N ATOM 1164 NH2 ARG A 72 36.337 18.599 31.475 1.00 0.00 N ATOM 0 H ARG A 72 34.829 24.366 27.581 1.00 0.00 H new ATOM 0 HA ARG A 72 32.749 22.607 27.268 1.00 0.00 H new ATOM 0 HB2 ARG A 72 35.145 22.136 27.993 1.00 0.00 H new ATOM 0 HB3 ARG A 72 34.720 22.687 29.601 1.00 0.00 H new ATOM 0 HG2 ARG A 72 32.880 20.954 29.679 1.00 0.00 H new ATOM 0 HG3 ARG A 72 33.381 20.378 28.102 1.00 0.00 H new ATOM 0 HD2 ARG A 72 34.497 18.945 29.677 1.00 0.00 H new ATOM 0 HD3 ARG A 72 35.736 20.040 29.095 1.00 0.00 H new ATOM 0 HE ARG A 72 34.647 21.313 31.360 1.00 0.00 H new ATOM 0 HH11 ARG A 72 35.601 21.028 33.399 1.00 0.00 H new ATOM 0 HH12 ARG A 72 36.591 19.602 33.729 1.00 0.00 H new ATOM 0 HH21 ARG A 72 36.175 18.267 30.524 1.00 0.00 H new ATOM 0 HH22 ARG A 72 36.913 18.052 32.115 1.00 0.00 H new ATOM 1178 N LEU A 73 32.548 24.247 30.140 1.00 0.00 N ATOM 1179 CA LEU A 73 31.629 24.607 31.214 1.00 0.00 C ATOM 1180 C LEU A 73 30.717 25.749 30.772 1.00 0.00 C ATOM 1181 O LEU A 73 31.123 26.619 30.000 1.00 0.00 O ATOM 1182 CB LEU A 73 32.416 25.026 32.465 1.00 0.00 C ATOM 1183 CG LEU A 73 33.588 24.060 32.696 1.00 0.00 C ATOM 1184 CD1 LEU A 73 34.389 24.500 33.927 1.00 0.00 C ATOM 1185 CD2 LEU A 73 33.049 22.644 32.923 1.00 0.00 C ATOM 0 H LEU A 73 33.470 24.677 30.207 1.00 0.00 H new ATOM 0 HA LEU A 73 31.016 23.737 31.452 1.00 0.00 H new ATOM 0 HB2 LEU A 73 32.790 26.043 32.346 1.00 0.00 H new ATOM 0 HB3 LEU A 73 31.759 25.028 33.335 1.00 0.00 H new ATOM 0 HG LEU A 73 34.236 24.069 31.820 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.219 23.812 34.086 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.777 25.506 33.768 1.00 0.00 H new ATOM 0 HD13 LEU A 73 33.741 24.496 34.803 1.00 0.00 H new ATOM 0 HD21 LEU A 73 33.881 21.960 33.087 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.397 22.638 33.797 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.484 22.325 32.047 1.00 0.00 H new ATOM 1197 N ARG A 74 29.483 25.736 31.264 1.00 0.00 N ATOM 1198 CA ARG A 74 28.514 26.770 30.916 1.00 0.00 C ATOM 1199 C ARG A 74 28.872 28.089 31.596 1.00 0.00 C ATOM 1200 O ARG A 74 29.221 28.115 32.776 1.00 0.00 O ATOM 1201 CB ARG A 74 27.115 26.333 31.350 1.00 0.00 C ATOM 1202 CG ARG A 74 26.076 27.302 30.783 1.00 0.00 C ATOM 1203 CD ARG A 74 24.672 26.822 31.157 1.00 0.00 C ATOM 1204 NE ARG A 74 23.665 27.707 30.584 1.00 0.00 N ATOM 1205 CZ ARG A 74 22.375 27.392 30.616 1.00 0.00 C ATOM 1206 NH1 ARG A 74 21.492 28.199 30.094 1.00 0.00 N ATOM 1207 NH2 ARG A 74 21.990 26.274 31.171 1.00 0.00 N ATOM 0 H ARG A 74 29.130 25.023 31.903 1.00 0.00 H new ATOM 0 HA ARG A 74 28.533 26.916 29.836 1.00 0.00 H new ATOM 0 HB2 ARG A 74 26.914 25.321 30.998 1.00 0.00 H new ATOM 0 HB3 ARG A 74 27.051 26.311 32.438 1.00 0.00 H new ATOM 0 HG2 ARG A 74 26.246 28.304 31.176 1.00 0.00 H new ATOM 0 HG3 ARG A 74 26.174 27.364 29.699 1.00 0.00 H new ATOM 0 HD2 ARG A 74 24.520 25.805 30.796 1.00 0.00 H new ATOM 0 HD3 ARG A 74 24.567 26.794 32.242 1.00 0.00 H new ATOM 0 HE ARG A 74 23.956 28.583 30.151 1.00 0.00 H new ATOM 0 HH11 ARG A 74 21.792 29.072 29.661 1.00 0.00 H new ATOM 0 HH12 ARG A 74 20.502 27.956 30.119 1.00 0.00 H new ATOM 0 HH21 ARG A 74 22.680 25.643 31.580 1.00 0.00 H new ATOM 0 HH22 ARG A 74 21.000 26.032 31.196 1.00 0.00 H new ATOM 1221 N GLY A 75 28.784 29.180 30.843 1.00 0.00 N ATOM 1222 CA GLY A 75 29.102 30.497 31.384 1.00 0.00 C ATOM 1223 C GLY A 75 28.146 30.874 32.511 1.00 0.00 C ATOM 1224 O GLY A 75 28.539 30.934 33.676 1.00 0.00 O ATOM 0 H GLY A 75 28.498 29.180 29.864 1.00 0.00 H new ATOM 0 HA2 GLY A 75 30.127 30.503 31.755 1.00 0.00 H new ATOM 0 HA3 GLY A 75 29.046 31.243 30.591 1.00 0.00 H new ATOM 1228 N GLY A 76 26.891 31.130 32.156 1.00 0.00 N ATOM 1229 CA GLY A 76 25.888 31.503 33.147 1.00 0.00 C ATOM 1230 C GLY A 76 26.184 32.883 33.724 1.00 0.00 C ATOM 1231 O GLY A 76 27.346 33.254 33.756 1.00 0.00 O ATOM 1232 OXT GLY A 76 25.244 33.550 34.126 1.00 0.00 O ATOM 0 H GLY A 76 26.546 31.087 31.197 1.00 0.00 H new ATOM 0 HA2 GLY A 76 24.899 31.500 32.689 1.00 0.00 H new ATOM 0 HA3 GLY A 76 25.870 30.765 33.949 1.00 0.00 H new TER 1236 GLY A 76