USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 114:sc= 0.105 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.1 USER MOD Set 2.1: A 25 ASN : amide:sc= -1.82 K(o=-2.4,f=-4.2!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ -174:sc= -0.557 (180deg=-0.0756) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.0337 (180deg=-0.349) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0552 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00942 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 36:sc= 0.0236 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0297 K(o=-0.03,f=-1.9!) USER MOD Single : A 33 LYS NZ :NH3+ -137:sc= -2.24! (180deg=-2.82!) USER MOD Single : A 34 THR OG1 : rot -71:sc= 0.365 USER MOD Single : A 40 GLN : amide:sc= -1.35 K(o=-1.3,f=-2.5!) USER MOD Single : A 41 GLN : amide:sc= -2.43 K(o=-2.4,f=-1.1!) USER MOD Single : A 48 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0632) USER MOD Single : A 49 GLN : amide:sc= -0.0261 K(o=-0.026,f=-1.7!) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.121 USER MOD Single : A 60 ASN : amide:sc= -1.75! C(o=-1.7!,f=-4.8!) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -89:sc= 1.38 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 26.306 24.105 1.769 1.00 0.00 N ATOM 2 CA MET A 1 25.429 24.746 2.788 1.00 0.00 C ATOM 3 C MET A 1 26.270 25.661 3.671 1.00 0.00 C ATOM 4 O MET A 1 26.953 25.203 4.586 1.00 0.00 O ATOM 5 CB MET A 1 24.763 23.662 3.638 1.00 0.00 C ATOM 6 CG MET A 1 23.705 24.296 4.541 1.00 0.00 C ATOM 7 SD MET A 1 22.912 23.011 5.538 1.00 0.00 S ATOM 8 CE MET A 1 24.089 23.030 6.911 1.00 0.00 C ATOM 0 H1 MET A 1 25.736 23.480 1.164 1.00 0.00 H new ATOM 0 H2 MET A 1 26.753 24.840 1.184 1.00 0.00 H new ATOM 0 H3 MET A 1 27.043 23.547 2.246 1.00 0.00 H new ATOM 0 HA MET A 1 24.657 25.336 2.295 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.304 22.912 2.994 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.511 23.149 4.242 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.165 25.042 5.189 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.960 24.814 3.937 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.787 22.297 7.659 1.00 0.00 H new ATOM 0 HE2 MET A 1 25.084 22.782 6.541 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.106 24.022 7.362 1.00 0.00 H new ATOM 18 N GLN A 2 26.217 26.961 3.385 1.00 0.00 N ATOM 19 CA GLN A 2 26.980 27.945 4.151 1.00 0.00 C ATOM 20 C GLN A 2 26.139 28.507 5.293 1.00 0.00 C ATOM 21 O GLN A 2 24.948 28.213 5.404 1.00 0.00 O ATOM 22 CB GLN A 2 27.411 29.093 3.233 1.00 0.00 C ATOM 23 CG GLN A 2 28.397 28.573 2.183 1.00 0.00 C ATOM 24 CD GLN A 2 28.721 29.679 1.182 1.00 0.00 C ATOM 25 OE1 GLN A 2 28.082 30.731 1.189 1.00 0.00 O ATOM 26 NE2 GLN A 2 29.686 29.504 0.319 1.00 0.00 N ATOM 0 H GLN A 2 25.656 27.356 2.631 1.00 0.00 H new ATOM 0 HA GLN A 2 27.859 27.452 4.567 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.539 29.527 2.744 1.00 0.00 H new ATOM 0 HB3 GLN A 2 27.875 29.886 3.820 1.00 0.00 H new ATOM 0 HG2 GLN A 2 29.311 28.230 2.668 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.970 27.715 1.664 1.00 0.00 H new ATOM 0 HE21 GLN A 2 30.214 28.632 0.315 1.00 0.00 H new ATOM 0 HE22 GLN A 2 29.911 30.240 -0.351 1.00 0.00 H new ATOM 35 N ILE A 3 26.768 29.325 6.136 1.00 0.00 N ATOM 36 CA ILE A 3 26.077 29.942 7.267 1.00 0.00 C ATOM 37 C ILE A 3 26.650 31.326 7.546 1.00 0.00 C ATOM 38 O ILE A 3 27.830 31.581 7.298 1.00 0.00 O ATOM 39 CB ILE A 3 26.223 29.078 8.522 1.00 0.00 C ATOM 40 CG1 ILE A 3 27.700 28.713 8.729 1.00 0.00 C ATOM 41 CG2 ILE A 3 25.389 27.804 8.369 1.00 0.00 C ATOM 42 CD1 ILE A 3 27.915 28.256 10.175 1.00 0.00 C ATOM 0 H ILE A 3 27.754 29.575 6.057 1.00 0.00 H new ATOM 0 HA ILE A 3 25.021 30.029 7.010 1.00 0.00 H new ATOM 0 HB ILE A 3 25.868 29.636 9.388 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.990 27.921 8.039 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.332 29.573 8.510 1.00 0.00 H new ATOM 0 HG21 ILE A 3 25.495 27.190 9.264 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.341 28.070 8.233 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.737 27.243 7.501 1.00 0.00 H new ATOM 0 HD11 ILE A 3 28.963 27.997 10.323 1.00 0.00 H new ATOM 0 HD12 ILE A 3 27.641 29.062 10.856 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.294 27.384 10.377 1.00 0.00 H new ATOM 54 N PHE A 4 25.811 32.215 8.070 1.00 0.00 N ATOM 55 CA PHE A 4 26.238 33.577 8.395 1.00 0.00 C ATOM 56 C PHE A 4 26.352 33.741 9.906 1.00 0.00 C ATOM 57 O PHE A 4 25.422 33.434 10.648 1.00 0.00 O ATOM 58 CB PHE A 4 25.231 34.589 7.834 1.00 0.00 C ATOM 59 CG PHE A 4 24.768 34.175 6.450 1.00 0.00 C ATOM 60 CD1 PHE A 4 25.640 33.526 5.555 1.00 0.00 C ATOM 61 CD2 PHE A 4 23.455 34.451 6.055 1.00 0.00 C ATOM 62 CE1 PHE A 4 25.191 33.160 4.281 1.00 0.00 C ATOM 63 CE2 PHE A 4 23.010 34.086 4.781 1.00 0.00 C ATOM 64 CZ PHE A 4 23.878 33.440 3.894 1.00 0.00 C ATOM 0 H PHE A 4 24.832 32.019 8.279 1.00 0.00 H new ATOM 0 HA PHE A 4 27.214 33.759 7.944 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.373 34.664 8.502 1.00 0.00 H new ATOM 0 HB3 PHE A 4 25.688 35.578 7.789 1.00 0.00 H new ATOM 0 HD1 PHE A 4 26.656 33.311 5.852 1.00 0.00 H new ATOM 0 HD2 PHE A 4 22.782 34.948 6.737 1.00 0.00 H new ATOM 0 HE1 PHE A 4 25.860 32.661 3.596 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.995 34.303 4.481 1.00 0.00 H new ATOM 0 HZ PHE A 4 23.533 33.158 2.910 1.00 0.00 H new ATOM 74 N VAL A 5 27.513 34.219 10.350 1.00 0.00 N ATOM 75 CA VAL A 5 27.773 34.417 11.777 1.00 0.00 C ATOM 76 C VAL A 5 27.787 35.904 12.118 1.00 0.00 C ATOM 77 O VAL A 5 28.490 36.688 11.479 1.00 0.00 O ATOM 78 CB VAL A 5 29.133 33.809 12.123 1.00 0.00 C ATOM 79 CG1 VAL A 5 29.153 32.338 11.695 1.00 0.00 C ATOM 80 CG2 VAL A 5 30.241 34.581 11.395 1.00 0.00 C ATOM 0 H VAL A 5 28.290 34.477 9.742 1.00 0.00 H new ATOM 0 HA VAL A 5 26.984 33.933 12.352 1.00 0.00 H new ATOM 0 HB VAL A 5 29.302 33.874 13.198 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.121 31.901 11.940 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.367 31.796 12.220 1.00 0.00 H new ATOM 0 HG13 VAL A 5 28.986 32.270 10.620 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.210 34.147 11.642 1.00 0.00 H new ATOM 0 HG22 VAL A 5 30.080 34.520 10.319 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.221 35.625 11.706 1.00 0.00 H new ATOM 90 N LYS A 6 27.012 36.287 13.127 1.00 0.00 N ATOM 91 CA LYS A 6 26.954 37.686 13.537 1.00 0.00 C ATOM 92 C LYS A 6 28.237 38.083 14.260 1.00 0.00 C ATOM 93 O LYS A 6 28.546 37.557 15.329 1.00 0.00 O ATOM 94 CB LYS A 6 25.754 37.916 14.458 1.00 0.00 C ATOM 95 CG LYS A 6 25.581 39.417 14.701 1.00 0.00 C ATOM 96 CD LYS A 6 24.283 39.667 15.472 1.00 0.00 C ATOM 97 CE LYS A 6 24.062 41.174 15.626 1.00 0.00 C ATOM 98 NZ LYS A 6 25.144 41.754 16.470 1.00 0.00 N1+ ATOM 0 H LYS A 6 26.422 35.657 13.671 1.00 0.00 H new ATOM 0 HA LYS A 6 26.845 38.302 12.644 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.851 37.503 14.008 1.00 0.00 H new ATOM 0 HB3 LYS A 6 25.904 37.398 15.405 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.430 39.805 15.264 1.00 0.00 H new ATOM 0 HG3 LYS A 6 25.559 39.949 13.750 1.00 0.00 H new ATOM 0 HD2 LYS A 6 23.442 39.218 14.944 1.00 0.00 H new ATOM 0 HD3 LYS A 6 24.333 39.194 16.453 1.00 0.00 H new ATOM 0 HE2 LYS A 6 24.055 41.653 14.647 1.00 0.00 H new ATOM 0 HE3 LYS A 6 23.090 41.365 16.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 24.852 42.692 16.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.323 41.129 17.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.013 41.846 15.906 1.00 0.00 H new ATOM 112 N GLY A 7 28.983 39.014 13.668 1.00 0.00 N ATOM 113 CA GLY A 7 30.235 39.476 14.263 1.00 0.00 C ATOM 114 C GLY A 7 29.987 40.632 15.225 1.00 0.00 C ATOM 115 O GLY A 7 28.895 41.198 15.263 1.00 0.00 O ATOM 0 H GLY A 7 28.744 39.461 12.783 1.00 0.00 H new ATOM 0 HA2 GLY A 7 30.716 38.654 14.793 1.00 0.00 H new ATOM 0 HA3 GLY A 7 30.921 39.793 13.477 1.00 0.00 H new ATOM 119 N LEU A 8 31.010 40.979 15.999 1.00 0.00 N ATOM 120 CA LEU A 8 30.900 42.072 16.961 1.00 0.00 C ATOM 121 C LEU A 8 30.715 43.403 16.236 1.00 0.00 C ATOM 122 O LEU A 8 30.034 44.302 16.728 1.00 0.00 O ATOM 123 CB LEU A 8 32.164 42.135 17.824 1.00 0.00 C ATOM 124 CG LEU A 8 32.307 40.845 18.650 1.00 0.00 C ATOM 125 CD1 LEU A 8 33.744 40.727 19.164 1.00 0.00 C ATOM 126 CD2 LEU A 8 31.345 40.864 19.852 1.00 0.00 C ATOM 0 H LEU A 8 31.922 40.522 15.980 1.00 0.00 H new ATOM 0 HA LEU A 8 30.033 41.889 17.596 1.00 0.00 H new ATOM 0 HB2 LEU A 8 33.040 42.268 17.190 1.00 0.00 H new ATOM 0 HB3 LEU A 8 32.117 42.998 18.488 1.00 0.00 H new ATOM 0 HG LEU A 8 32.064 39.995 18.013 1.00 0.00 H new ATOM 0 HD11 LEU A 8 33.847 39.813 19.750 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.431 40.696 18.319 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.978 41.588 19.790 1.00 0.00 H new ATOM 0 HD21 LEU A 8 31.460 39.944 20.425 1.00 0.00 H new ATOM 0 HD22 LEU A 8 31.575 41.719 20.488 1.00 0.00 H new ATOM 0 HD23 LEU A 8 30.318 40.943 19.495 1.00 0.00 H new ATOM 138 N THR A 9 31.332 43.520 15.066 1.00 0.00 N ATOM 139 CA THR A 9 31.237 44.745 14.278 1.00 0.00 C ATOM 140 C THR A 9 29.878 44.843 13.594 1.00 0.00 C ATOM 141 O THR A 9 29.519 45.889 13.055 1.00 0.00 O ATOM 142 CB THR A 9 32.340 44.767 13.217 1.00 0.00 C ATOM 143 OG1 THR A 9 32.105 43.731 12.273 1.00 0.00 O ATOM 144 CG2 THR A 9 33.698 44.552 13.886 1.00 0.00 C ATOM 0 H THR A 9 31.901 42.786 14.643 1.00 0.00 H new ATOM 0 HA THR A 9 31.355 45.595 14.950 1.00 0.00 H new ATOM 0 HB THR A 9 32.338 45.731 12.708 1.00 0.00 H new ATOM 0 HG1 THR A 9 32.809 43.744 11.591 1.00 0.00 H new ATOM 0 HG21 THR A 9 34.483 44.568 13.130 1.00 0.00 H new ATOM 0 HG22 THR A 9 33.876 45.346 14.611 1.00 0.00 H new ATOM 0 HG23 THR A 9 33.704 43.588 14.395 1.00 0.00 H new ATOM 152 N GLY A 10 29.131 43.742 13.609 1.00 0.00 N ATOM 153 CA GLY A 10 27.815 43.703 12.975 1.00 0.00 C ATOM 154 C GLY A 10 27.920 43.083 11.586 1.00 0.00 C ATOM 155 O GLY A 10 26.918 42.691 10.989 1.00 0.00 O ATOM 0 H GLY A 10 29.413 42.867 14.052 1.00 0.00 H new ATOM 0 HA2 GLY A 10 27.124 43.125 13.589 1.00 0.00 H new ATOM 0 HA3 GLY A 10 27.408 44.712 12.902 1.00 0.00 H new ATOM 159 N LYS A 11 29.149 42.995 11.085 1.00 0.00 N ATOM 160 CA LYS A 11 29.392 42.414 9.770 1.00 0.00 C ATOM 161 C LYS A 11 29.342 40.891 9.851 1.00 0.00 C ATOM 162 O LYS A 11 29.942 40.289 10.741 1.00 0.00 O ATOM 163 CB LYS A 11 30.761 42.858 9.253 1.00 0.00 C ATOM 164 CG LYS A 11 30.742 44.365 8.979 1.00 0.00 C ATOM 165 CD LYS A 11 32.147 44.832 8.592 1.00 0.00 C ATOM 166 CE LYS A 11 32.133 46.335 8.315 1.00 0.00 C ATOM 167 NZ LYS A 11 33.533 46.838 8.241 1.00 0.00 N1+ ATOM 0 H LYS A 11 29.988 43.317 11.568 1.00 0.00 H new ATOM 0 HA LYS A 11 28.618 42.758 9.084 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.532 42.621 9.986 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.010 42.315 8.341 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.039 44.591 8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.400 44.902 9.864 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.849 44.607 9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.489 44.293 7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.612 46.539 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.589 46.856 9.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.525 47.861 8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 34.015 46.656 9.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 34.038 46.349 7.474 1.00 0.00 H new ATOM 181 N THR A 12 28.617 40.276 8.922 1.00 0.00 N ATOM 182 CA THR A 12 28.483 38.821 8.901 1.00 0.00 C ATOM 183 C THR A 12 29.653 38.174 8.163 1.00 0.00 C ATOM 184 O THR A 12 30.183 38.738 7.206 1.00 0.00 O ATOM 185 CB THR A 12 27.174 38.435 8.211 1.00 0.00 C ATOM 186 OG1 THR A 12 27.119 39.050 6.932 1.00 0.00 O ATOM 187 CG2 THR A 12 25.992 38.908 9.058 1.00 0.00 C ATOM 0 H THR A 12 28.115 40.758 8.177 1.00 0.00 H new ATOM 0 HA THR A 12 28.481 38.463 9.931 1.00 0.00 H new ATOM 0 HB THR A 12 27.126 37.352 8.097 1.00 0.00 H new ATOM 0 HG1 THR A 12 26.282 38.803 6.486 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.059 38.633 8.566 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.037 38.438 10.040 1.00 0.00 H new ATOM 0 HG23 THR A 12 26.036 39.991 9.172 1.00 0.00 H new ATOM 195 N THR A 13 30.049 36.980 8.616 1.00 0.00 N ATOM 196 CA THR A 13 31.159 36.247 7.997 1.00 0.00 C ATOM 197 C THR A 13 30.680 34.871 7.522 1.00 0.00 C ATOM 198 O THR A 13 30.364 33.999 8.328 1.00 0.00 O ATOM 199 CB THR A 13 32.307 36.117 9.018 1.00 0.00 C ATOM 200 OG1 THR A 13 33.103 37.291 8.970 1.00 0.00 O ATOM 201 CG2 THR A 13 33.189 34.899 8.711 1.00 0.00 C ATOM 0 H THR A 13 29.619 36.501 9.407 1.00 0.00 H new ATOM 0 HA THR A 13 31.524 36.790 7.126 1.00 0.00 H new ATOM 0 HB THR A 13 31.874 35.986 10.010 1.00 0.00 H new ATOM 0 HG1 THR A 13 33.835 37.217 9.618 1.00 0.00 H new ATOM 0 HG21 THR A 13 33.989 34.834 9.448 1.00 0.00 H new ATOM 0 HG22 THR A 13 32.585 33.993 8.751 1.00 0.00 H new ATOM 0 HG23 THR A 13 33.620 35.004 7.715 1.00 0.00 H new ATOM 209 N THR A 14 30.629 34.688 6.207 1.00 0.00 N ATOM 210 CA THR A 14 30.187 33.420 5.640 1.00 0.00 C ATOM 211 C THR A 14 31.197 32.315 5.936 1.00 0.00 C ATOM 212 O THR A 14 32.406 32.519 5.821 1.00 0.00 O ATOM 213 CB THR A 14 30.009 33.566 4.126 1.00 0.00 C ATOM 214 OG1 THR A 14 31.155 34.204 3.577 1.00 0.00 O ATOM 215 CG2 THR A 14 28.764 34.407 3.829 1.00 0.00 C ATOM 0 H THR A 14 30.886 35.396 5.519 1.00 0.00 H new ATOM 0 HA THR A 14 29.234 33.149 6.095 1.00 0.00 H new ATOM 0 HB THR A 14 29.889 32.579 3.679 1.00 0.00 H new ATOM 0 HG1 THR A 14 31.956 33.907 4.057 1.00 0.00 H new ATOM 0 HG21 THR A 14 28.642 34.508 2.751 1.00 0.00 H new ATOM 0 HG22 THR A 14 27.886 33.918 4.249 1.00 0.00 H new ATOM 0 HG23 THR A 14 28.877 35.395 4.275 1.00 0.00 H new ATOM 223 N LEU A 15 30.689 31.144 6.320 1.00 0.00 N ATOM 224 CA LEU A 15 31.542 29.995 6.639 1.00 0.00 C ATOM 225 C LEU A 15 31.047 28.749 5.903 1.00 0.00 C ATOM 226 O LEU A 15 29.843 28.536 5.758 1.00 0.00 O ATOM 227 CB LEU A 15 31.531 29.749 8.164 1.00 0.00 C ATOM 228 CG LEU A 15 32.642 30.570 8.854 1.00 0.00 C ATOM 229 CD1 LEU A 15 32.264 30.840 10.314 1.00 0.00 C ATOM 230 CD2 LEU A 15 33.957 29.786 8.822 1.00 0.00 C ATOM 0 H LEU A 15 29.690 30.964 6.418 1.00 0.00 H new ATOM 0 HA LEU A 15 32.561 30.207 6.317 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.560 30.023 8.575 1.00 0.00 H new ATOM 0 HB3 LEU A 15 31.675 28.688 8.368 1.00 0.00 H new ATOM 0 HG LEU A 15 32.759 31.516 8.325 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.053 31.420 10.793 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.330 31.400 10.350 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.140 29.893 10.839 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.739 30.368 9.310 1.00 0.00 H new ATOM 0 HD22 LEU A 15 33.829 28.839 9.346 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.240 29.593 7.787 1.00 0.00 H new ATOM 242 N GLU A 16 31.990 27.929 5.443 1.00 0.00 N ATOM 243 CA GLU A 16 31.656 26.702 4.724 1.00 0.00 C ATOM 244 C GLU A 16 31.512 25.539 5.700 1.00 0.00 C ATOM 245 O GLU A 16 32.452 25.199 6.417 1.00 0.00 O ATOM 246 CB GLU A 16 32.758 26.387 3.709 1.00 0.00 C ATOM 247 CG GLU A 16 32.323 25.225 2.815 1.00 0.00 C ATOM 248 CD GLU A 16 33.393 24.954 1.762 1.00 0.00 C ATOM 249 OE1 GLU A 16 34.223 25.824 1.551 1.00 0.00 O1- ATOM 250 OE2 GLU A 16 33.366 23.883 1.179 1.00 0.00 O ATOM 0 H GLU A 16 32.991 28.092 5.555 1.00 0.00 H new ATOM 0 HA GLU A 16 30.709 26.844 4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 16 32.967 27.267 3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 16 33.682 26.132 4.229 1.00 0.00 H new ATOM 0 HG2 GLU A 16 32.159 24.332 3.418 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.375 25.461 2.331 1.00 0.00 H new ATOM 257 N VAL A 17 30.327 24.928 5.723 1.00 0.00 N ATOM 258 CA VAL A 17 30.069 23.799 6.619 1.00 0.00 C ATOM 259 C VAL A 17 29.168 22.772 5.940 1.00 0.00 C ATOM 260 O VAL A 17 28.562 23.050 4.904 1.00 0.00 O ATOM 261 CB VAL A 17 29.402 24.292 7.907 1.00 0.00 C ATOM 262 CG1 VAL A 17 30.265 25.379 8.549 1.00 0.00 C ATOM 263 CG2 VAL A 17 28.020 24.869 7.587 1.00 0.00 C ATOM 0 H VAL A 17 29.536 25.193 5.136 1.00 0.00 H new ATOM 0 HA VAL A 17 31.022 23.328 6.861 1.00 0.00 H new ATOM 0 HB VAL A 17 29.296 23.454 8.596 1.00 0.00 H new ATOM 0 HG11 VAL A 17 29.788 25.728 9.465 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.248 24.971 8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 17 30.374 26.213 7.856 1.00 0.00 H new ATOM 0 HG21 VAL A 17 27.550 25.218 8.506 1.00 0.00 H new ATOM 0 HG22 VAL A 17 28.126 25.704 6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.399 24.096 7.133 1.00 0.00 H new ATOM 273 N GLU A 18 29.079 21.583 6.536 1.00 0.00 N ATOM 274 CA GLU A 18 28.244 20.510 5.993 1.00 0.00 C ATOM 275 C GLU A 18 27.609 19.715 7.139 1.00 0.00 C ATOM 276 O GLU A 18 28.210 19.588 8.205 1.00 0.00 O ATOM 277 CB GLU A 18 29.096 19.566 5.140 1.00 0.00 C ATOM 278 CG GLU A 18 29.718 20.340 3.974 1.00 0.00 C ATOM 279 CD GLU A 18 30.496 19.385 3.076 1.00 0.00 C ATOM 280 OE1 GLU A 18 30.254 18.192 3.164 1.00 0.00 O1- ATOM 281 OE2 GLU A 18 31.325 19.859 2.318 1.00 0.00 O ATOM 0 H GLU A 18 29.574 21.338 7.394 1.00 0.00 H new ATOM 0 HA GLU A 18 27.462 20.952 5.376 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.880 19.117 5.750 1.00 0.00 H new ATOM 0 HB3 GLU A 18 28.481 18.750 4.760 1.00 0.00 H new ATOM 0 HG2 GLU A 18 28.938 20.839 3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 18 30.381 21.117 4.354 1.00 0.00 H new ATOM 288 N PRO A 19 26.425 19.169 6.954 1.00 0.00 N ATOM 289 CA PRO A 19 25.752 18.373 8.018 1.00 0.00 C ATOM 290 C PRO A 19 26.743 17.496 8.781 1.00 0.00 C ATOM 291 O PRO A 19 26.636 17.331 9.995 1.00 0.00 O ATOM 292 CB PRO A 19 24.746 17.526 7.235 1.00 0.00 C ATOM 293 CG PRO A 19 24.376 18.363 6.049 1.00 0.00 C ATOM 294 CD PRO A 19 25.596 19.248 5.734 1.00 0.00 C ATOM 0 HA PRO A 19 25.286 18.996 8.781 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.184 16.577 6.927 1.00 0.00 H new ATOM 0 HB3 PRO A 19 23.871 17.291 7.841 1.00 0.00 H new ATOM 0 HG2 PRO A 19 24.123 17.734 5.195 1.00 0.00 H new ATOM 0 HG3 PRO A 19 23.500 18.974 6.265 1.00 0.00 H new ATOM 0 HD2 PRO A 19 26.137 18.884 4.860 1.00 0.00 H new ATOM 0 HD3 PRO A 19 25.299 20.275 5.520 1.00 0.00 H new ATOM 302 N SER A 20 27.707 16.939 8.054 1.00 0.00 N ATOM 303 CA SER A 20 28.717 16.083 8.663 1.00 0.00 C ATOM 304 C SER A 20 29.725 16.916 9.451 1.00 0.00 C ATOM 305 O SER A 20 30.197 16.499 10.508 1.00 0.00 O ATOM 306 CB SER A 20 29.448 15.287 7.583 1.00 0.00 C ATOM 307 OG SER A 20 30.050 16.188 6.663 1.00 0.00 O ATOM 0 H SER A 20 27.809 17.065 7.047 1.00 0.00 H new ATOM 0 HA SER A 20 28.217 15.396 9.346 1.00 0.00 H new ATOM 0 HB2 SER A 20 30.208 14.650 8.036 1.00 0.00 H new ATOM 0 HB3 SER A 20 28.750 14.631 7.063 1.00 0.00 H new ATOM 0 HG SER A 20 30.521 15.681 5.969 1.00 0.00 H new ATOM 313 N ASP A 21 30.055 18.092 8.924 1.00 0.00 N ATOM 314 CA ASP A 21 31.014 18.970 9.586 1.00 0.00 C ATOM 315 C ASP A 21 30.619 19.201 11.039 1.00 0.00 C ATOM 316 O ASP A 21 29.552 19.742 11.329 1.00 0.00 O ATOM 317 CB ASP A 21 31.091 20.312 8.856 1.00 0.00 C ATOM 318 CG ASP A 21 32.247 21.140 9.410 1.00 0.00 C ATOM 319 OD1 ASP A 21 33.384 20.757 9.190 1.00 0.00 O ATOM 320 OD2 ASP A 21 31.977 22.145 10.046 1.00 0.00 O1- ATOM 0 H ASP A 21 29.677 18.456 8.049 1.00 0.00 H new ATOM 0 HA ASP A 21 31.991 18.488 9.560 1.00 0.00 H new ATOM 0 HB2 ASP A 21 31.230 20.147 7.788 1.00 0.00 H new ATOM 0 HB3 ASP A 21 30.153 20.855 8.975 1.00 0.00 H new ATOM 325 N THR A 22 31.492 18.781 11.948 1.00 0.00 N ATOM 326 CA THR A 22 31.236 18.940 13.375 1.00 0.00 C ATOM 327 C THR A 22 31.582 20.352 13.829 1.00 0.00 C ATOM 328 O THR A 22 32.282 21.085 13.132 1.00 0.00 O ATOM 329 CB THR A 22 32.062 17.925 14.164 1.00 0.00 C ATOM 330 OG1 THR A 22 33.444 18.187 13.966 1.00 0.00 O ATOM 331 CG2 THR A 22 31.731 16.515 13.677 1.00 0.00 C ATOM 0 H THR A 22 32.379 18.330 11.724 1.00 0.00 H new ATOM 0 HA THR A 22 30.176 18.767 13.559 1.00 0.00 H new ATOM 0 HB THR A 22 31.827 18.006 15.225 1.00 0.00 H new ATOM 0 HG1 THR A 22 33.976 17.538 14.473 1.00 0.00 H new ATOM 0 HG21 THR A 22 32.319 15.789 14.238 1.00 0.00 H new ATOM 0 HG22 THR A 22 30.670 16.318 13.828 1.00 0.00 H new ATOM 0 HG23 THR A 22 31.968 16.431 12.616 1.00 0.00 H new ATOM 339 N ILE A 23 31.079 20.726 14.999 1.00 0.00 N ATOM 340 CA ILE A 23 31.328 22.056 15.541 1.00 0.00 C ATOM 341 C ILE A 23 32.820 22.269 15.768 1.00 0.00 C ATOM 342 O ILE A 23 33.358 23.330 15.454 1.00 0.00 O ATOM 343 CB ILE A 23 30.578 22.223 16.862 1.00 0.00 C ATOM 344 CG1 ILE A 23 29.112 21.805 16.681 1.00 0.00 C ATOM 345 CG2 ILE A 23 30.640 23.684 17.312 1.00 0.00 C ATOM 346 CD1 ILE A 23 28.493 22.522 15.476 1.00 0.00 C ATOM 0 H ILE A 23 30.498 20.130 15.589 1.00 0.00 H new ATOM 0 HA ILE A 23 30.974 22.797 14.824 1.00 0.00 H new ATOM 0 HB ILE A 23 31.044 21.592 17.619 1.00 0.00 H new ATOM 0 HG12 ILE A 23 29.050 20.726 16.540 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.546 22.042 17.582 1.00 0.00 H new ATOM 0 HG21 ILE A 23 30.104 23.798 18.254 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.680 23.979 17.449 1.00 0.00 H new ATOM 0 HG23 ILE A 23 30.180 24.318 16.554 1.00 0.00 H new ATOM 0 HD11 ILE A 23 27.454 22.213 15.363 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.536 23.600 15.632 1.00 0.00 H new ATOM 0 HD13 ILE A 23 29.048 22.263 14.574 1.00 0.00 H new ATOM 358 N GLU A 24 33.487 21.256 16.312 1.00 0.00 N ATOM 359 CA GLU A 24 34.920 21.355 16.566 1.00 0.00 C ATOM 360 C GLU A 24 35.624 21.924 15.341 1.00 0.00 C ATOM 361 O GLU A 24 36.490 22.790 15.456 1.00 0.00 O ATOM 362 CB GLU A 24 35.490 19.976 16.902 1.00 0.00 C ATOM 363 CG GLU A 24 36.945 20.119 17.353 1.00 0.00 C ATOM 364 CD GLU A 24 37.484 18.769 17.816 1.00 0.00 C ATOM 365 OE1 GLU A 24 36.684 17.868 18.003 1.00 0.00 O1- ATOM 366 OE2 GLU A 24 38.688 18.658 17.977 1.00 0.00 O ATOM 0 H GLU A 24 33.065 20.368 16.583 1.00 0.00 H new ATOM 0 HA GLU A 24 35.085 22.021 17.413 1.00 0.00 H new ATOM 0 HB2 GLU A 24 34.899 19.509 17.690 1.00 0.00 H new ATOM 0 HB3 GLU A 24 35.431 19.325 16.030 1.00 0.00 H new ATOM 0 HG2 GLU A 24 37.553 20.500 16.532 1.00 0.00 H new ATOM 0 HG3 GLU A 24 37.013 20.844 18.164 1.00 0.00 H new ATOM 373 N ASN A 25 35.232 21.440 14.168 1.00 0.00 N ATOM 374 CA ASN A 25 35.818 21.916 12.924 1.00 0.00 C ATOM 375 C ASN A 25 35.442 23.378 12.694 1.00 0.00 C ATOM 376 O ASN A 25 36.279 24.191 12.307 1.00 0.00 O ATOM 377 CB ASN A 25 35.311 21.065 11.757 1.00 0.00 C ATOM 378 CG ASN A 25 36.103 21.379 10.494 1.00 0.00 C ATOM 379 OD1 ASN A 25 36.822 22.377 10.442 1.00 0.00 O ATOM 380 ND2 ASN A 25 36.013 20.581 9.465 1.00 0.00 N ATOM 0 H ASN A 25 34.516 20.723 14.054 1.00 0.00 H new ATOM 0 HA ASN A 25 36.903 21.834 12.988 1.00 0.00 H new ATOM 0 HB2 ASN A 25 35.406 20.007 12.001 1.00 0.00 H new ATOM 0 HB3 ASN A 25 34.252 21.260 11.589 1.00 0.00 H new ATOM 0 HD21 ASN A 25 36.539 20.784 8.615 1.00 0.00 H new ATOM 0 HD22 ASN A 25 35.417 19.755 9.511 1.00 0.00 H new ATOM 387 N VAL A 26 34.174 23.700 12.930 1.00 0.00 N ATOM 388 CA VAL A 26 33.695 25.065 12.736 1.00 0.00 C ATOM 389 C VAL A 26 34.518 26.048 13.562 1.00 0.00 C ATOM 390 O VAL A 26 34.975 27.068 13.049 1.00 0.00 O ATOM 391 CB VAL A 26 32.225 25.165 13.135 1.00 0.00 C ATOM 392 CG1 VAL A 26 31.747 26.609 12.963 1.00 0.00 C ATOM 393 CG2 VAL A 26 31.397 24.241 12.238 1.00 0.00 C ATOM 0 H VAL A 26 33.465 23.042 13.253 1.00 0.00 H new ATOM 0 HA VAL A 26 33.802 25.319 11.681 1.00 0.00 H new ATOM 0 HB VAL A 26 32.106 24.867 14.177 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.697 26.681 13.248 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.341 27.267 13.597 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.862 26.909 11.921 1.00 0.00 H new ATOM 0 HG21 VAL A 26 30.346 24.308 12.518 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.515 24.543 11.197 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.740 23.213 12.359 1.00 0.00 H new ATOM 403 N LYS A 27 34.715 25.733 14.840 1.00 0.00 N ATOM 404 CA LYS A 27 35.499 26.604 15.706 1.00 0.00 C ATOM 405 C LYS A 27 36.903 26.763 15.138 1.00 0.00 C ATOM 406 O LYS A 27 37.519 27.821 15.260 1.00 0.00 O ATOM 407 CB LYS A 27 35.579 26.020 17.120 1.00 0.00 C ATOM 408 CG LYS A 27 34.212 26.133 17.800 1.00 0.00 C ATOM 409 CD LYS A 27 34.299 25.570 19.223 1.00 0.00 C ATOM 410 CE LYS A 27 32.930 25.668 19.898 1.00 0.00 C ATOM 411 NZ LYS A 27 33.019 25.141 21.290 1.00 0.00 N1+ ATOM 0 H LYS A 27 34.349 24.895 15.292 1.00 0.00 H new ATOM 0 HA LYS A 27 35.013 27.578 15.755 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.890 24.976 17.076 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.331 26.552 17.702 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.894 27.175 17.829 1.00 0.00 H new ATOM 0 HG3 LYS A 27 33.463 25.587 17.227 1.00 0.00 H new ATOM 0 HD2 LYS A 27 34.628 24.531 19.194 1.00 0.00 H new ATOM 0 HD3 LYS A 27 35.040 26.124 19.799 1.00 0.00 H new ATOM 0 HE2 LYS A 27 32.594 26.705 19.912 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.192 25.101 19.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.087 25.209 21.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 33.322 24.146 21.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.710 25.700 21.829 1.00 0.00 H new ATOM 425 N ALA A 28 37.398 25.704 14.505 1.00 0.00 N ATOM 426 CA ALA A 28 38.726 25.738 13.908 1.00 0.00 C ATOM 427 C ALA A 28 38.751 26.710 12.733 1.00 0.00 C ATOM 428 O ALA A 28 39.692 27.489 12.580 1.00 0.00 O ATOM 429 CB ALA A 28 39.124 24.338 13.435 1.00 0.00 C ATOM 0 H ALA A 28 36.903 24.819 14.393 1.00 0.00 H new ATOM 0 HA ALA A 28 39.439 26.076 14.660 1.00 0.00 H new ATOM 0 HB1 ALA A 28 40.118 24.373 12.990 1.00 0.00 H new ATOM 0 HB2 ALA A 28 39.131 23.655 14.285 1.00 0.00 H new ATOM 0 HB3 ALA A 28 38.407 23.987 12.693 1.00 0.00 H new ATOM 435 N LYS A 29 37.703 26.671 11.912 1.00 0.00 N ATOM 436 CA LYS A 29 37.621 27.571 10.766 1.00 0.00 C ATOM 437 C LYS A 29 37.643 29.010 11.259 1.00 0.00 C ATOM 438 O LYS A 29 38.315 29.869 10.690 1.00 0.00 O ATOM 439 CB LYS A 29 36.328 27.327 9.981 1.00 0.00 C ATOM 440 CG LYS A 29 36.320 25.904 9.415 1.00 0.00 C ATOM 441 CD LYS A 29 35.263 25.794 8.314 1.00 0.00 C ATOM 442 CE LYS A 29 35.277 24.379 7.735 1.00 0.00 C ATOM 443 NZ LYS A 29 34.645 23.442 8.705 1.00 0.00 N1+ ATOM 0 H LYS A 29 36.911 26.036 12.017 1.00 0.00 H new ATOM 0 HA LYS A 29 38.471 27.384 10.110 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.465 27.474 10.631 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.243 28.050 9.170 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.303 25.656 9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 29 36.108 25.188 10.209 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.277 26.024 8.717 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.464 26.522 7.528 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.739 24.357 6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.301 24.069 7.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 34.744 22.466 8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 35.113 23.531 9.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 33.636 23.673 8.804 1.00 0.00 H new ATOM 457 N ILE A 30 36.901 29.251 12.331 1.00 0.00 N ATOM 458 CA ILE A 30 36.822 30.575 12.928 1.00 0.00 C ATOM 459 C ILE A 30 38.191 31.010 13.451 1.00 0.00 C ATOM 460 O ILE A 30 38.609 32.150 13.251 1.00 0.00 O ATOM 461 CB ILE A 30 35.798 30.545 14.070 1.00 0.00 C ATOM 462 CG1 ILE A 30 34.386 30.445 13.484 1.00 0.00 C ATOM 463 CG2 ILE A 30 35.907 31.814 14.921 1.00 0.00 C ATOM 464 CD1 ILE A 30 33.403 30.007 14.572 1.00 0.00 C ATOM 0 H ILE A 30 36.343 28.542 12.806 1.00 0.00 H new ATOM 0 HA ILE A 30 36.507 31.295 12.173 1.00 0.00 H new ATOM 0 HB ILE A 30 36.000 29.680 14.701 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.083 31.409 13.074 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.374 29.731 12.661 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.173 31.776 15.726 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.909 31.883 15.345 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.717 32.688 14.298 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.400 29.937 14.150 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.701 29.034 14.961 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.406 30.738 15.381 1.00 0.00 H new ATOM 476 N GLN A 31 38.880 30.097 14.125 1.00 0.00 N ATOM 477 CA GLN A 31 40.196 30.397 14.677 1.00 0.00 C ATOM 478 C GLN A 31 41.120 30.969 13.602 1.00 0.00 C ATOM 479 O GLN A 31 42.180 31.515 13.909 1.00 0.00 O ATOM 480 CB GLN A 31 40.811 29.121 15.263 1.00 0.00 C ATOM 481 CG GLN A 31 42.239 29.403 15.738 1.00 0.00 C ATOM 482 CD GLN A 31 42.738 28.256 16.611 1.00 0.00 C ATOM 483 OE1 GLN A 31 41.975 27.347 16.940 1.00 0.00 O ATOM 484 NE2 GLN A 31 43.981 28.244 17.010 1.00 0.00 N ATOM 0 H GLN A 31 38.552 29.148 14.302 1.00 0.00 H new ATOM 0 HA GLN A 31 40.080 31.143 15.463 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.205 28.764 16.096 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.817 28.331 14.512 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.898 29.529 14.879 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.266 30.336 16.300 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.612 28.998 16.737 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.321 27.481 17.595 1.00 0.00 H new ATOM 493 N ASP A 32 40.716 30.838 12.339 1.00 0.00 N ATOM 494 CA ASP A 32 41.522 31.340 11.225 1.00 0.00 C ATOM 495 C ASP A 32 41.042 32.715 10.767 1.00 0.00 C ATOM 496 O ASP A 32 41.850 33.597 10.474 1.00 0.00 O ATOM 497 CB ASP A 32 41.446 30.361 10.052 1.00 0.00 C ATOM 498 CG ASP A 32 41.814 28.957 10.523 1.00 0.00 C ATOM 499 OD1 ASP A 32 42.750 28.841 11.298 1.00 0.00 O ATOM 500 OD2 ASP A 32 41.157 28.021 10.102 1.00 0.00 O1- ATOM 0 H ASP A 32 39.842 30.392 12.062 1.00 0.00 H new ATOM 0 HA ASP A 32 42.552 31.433 11.569 1.00 0.00 H new ATOM 0 HB2 ASP A 32 40.440 30.361 9.631 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.123 30.677 9.259 1.00 0.00 H new ATOM 505 N LYS A 33 39.726 32.893 10.700 1.00 0.00 N ATOM 506 CA LYS A 33 39.157 34.166 10.266 1.00 0.00 C ATOM 507 C LYS A 33 39.205 35.204 11.385 1.00 0.00 C ATOM 508 O LYS A 33 39.361 36.398 11.127 1.00 0.00 O ATOM 509 CB LYS A 33 37.706 33.973 9.822 1.00 0.00 C ATOM 510 CG LYS A 33 37.668 33.160 8.527 1.00 0.00 C ATOM 511 CD LYS A 33 36.235 33.124 7.993 1.00 0.00 C ATOM 512 CE LYS A 33 36.168 32.211 6.768 1.00 0.00 C ATOM 513 NZ LYS A 33 34.780 32.214 6.220 1.00 0.00 N1+ ATOM 0 H LYS A 33 39.038 32.179 10.938 1.00 0.00 H new ATOM 0 HA LYS A 33 39.754 34.526 9.428 1.00 0.00 H new ATOM 0 HB2 LYS A 33 37.142 33.461 10.601 1.00 0.00 H new ATOM 0 HB3 LYS A 33 37.230 34.942 9.669 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.333 33.604 7.786 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.025 32.147 8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 33 35.557 32.763 8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 33 35.909 34.130 7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 33 36.871 32.552 6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.461 31.197 7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 34.503 31.243 5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 34.125 32.588 6.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 34.743 32.813 5.371 1.00 0.00 H new ATOM 527 N THR A 34 39.068 34.747 12.628 1.00 0.00 N ATOM 528 CA THR A 34 39.093 35.649 13.781 1.00 0.00 C ATOM 529 C THR A 34 40.483 35.674 14.405 1.00 0.00 C ATOM 530 O THR A 34 40.854 36.633 15.082 1.00 0.00 O ATOM 531 CB THR A 34 38.075 35.185 14.825 1.00 0.00 C ATOM 532 OG1 THR A 34 38.253 33.797 15.071 1.00 0.00 O ATOM 533 CG2 THR A 34 36.657 35.432 14.306 1.00 0.00 C ATOM 0 H THR A 34 38.939 33.763 12.864 1.00 0.00 H new ATOM 0 HA THR A 34 38.837 36.653 13.443 1.00 0.00 H new ATOM 0 HB THR A 34 38.223 35.743 15.749 1.00 0.00 H new ATOM 0 HG1 THR A 34 37.953 33.285 14.291 1.00 0.00 H new ATOM 0 HG21 THR A 34 35.934 35.101 15.051 1.00 0.00 H new ATOM 0 HG22 THR A 34 36.520 36.496 14.115 1.00 0.00 H new ATOM 0 HG23 THR A 34 36.506 34.875 13.381 1.00 0.00 H new ATOM 541 N GLY A 35 41.246 34.612 14.171 1.00 0.00 N ATOM 542 CA GLY A 35 42.596 34.520 14.714 1.00 0.00 C ATOM 543 C GLY A 35 42.567 34.391 16.234 1.00 0.00 C ATOM 544 O GLY A 35 43.613 34.352 16.880 1.00 0.00 O ATOM 0 H GLY A 35 40.956 33.809 13.613 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.107 33.660 14.282 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.166 35.405 14.431 1.00 0.00 H new ATOM 548 N LEU A 36 41.365 34.329 16.800 1.00 0.00 N ATOM 549 CA LEU A 36 41.221 34.210 18.248 1.00 0.00 C ATOM 550 C LEU A 36 41.433 32.760 18.694 1.00 0.00 C ATOM 551 O LEU A 36 41.088 31.828 17.966 1.00 0.00 O ATOM 552 CB LEU A 36 39.818 34.655 18.677 1.00 0.00 C ATOM 553 CG LEU A 36 39.657 36.175 18.507 1.00 0.00 C ATOM 554 CD1 LEU A 36 38.174 36.546 18.652 1.00 0.00 C ATOM 555 CD2 LEU A 36 40.478 36.928 19.576 1.00 0.00 C ATOM 0 H LEU A 36 40.485 34.359 16.285 1.00 0.00 H new ATOM 0 HA LEU A 36 41.973 34.847 18.714 1.00 0.00 H new ATOM 0 HB2 LEU A 36 39.068 34.135 18.081 1.00 0.00 H new ATOM 0 HB3 LEU A 36 39.645 34.380 19.717 1.00 0.00 H new ATOM 0 HG LEU A 36 40.019 36.460 17.519 1.00 0.00 H new ATOM 0 HD11 LEU A 36 38.055 37.623 18.532 1.00 0.00 H new ATOM 0 HD12 LEU A 36 37.593 36.029 17.888 1.00 0.00 H new ATOM 0 HD13 LEU A 36 37.820 36.249 19.639 1.00 0.00 H new ATOM 0 HD21 LEU A 36 40.353 38.002 19.441 1.00 0.00 H new ATOM 0 HD22 LEU A 36 40.130 36.644 20.569 1.00 0.00 H new ATOM 0 HD23 LEU A 36 41.532 36.670 19.474 1.00 0.00 H new ATOM 567 N PRO A 37 41.968 32.547 19.875 1.00 0.00 N ATOM 568 CA PRO A 37 42.192 31.169 20.412 1.00 0.00 C ATOM 569 C PRO A 37 40.859 30.472 20.714 1.00 0.00 C ATOM 570 O PRO A 37 39.822 31.124 20.822 1.00 0.00 O ATOM 571 CB PRO A 37 43.015 31.404 21.693 1.00 0.00 C ATOM 572 CG PRO A 37 42.702 32.808 22.107 1.00 0.00 C ATOM 573 CD PRO A 37 42.421 33.583 20.822 1.00 0.00 C ATOM 0 HA PRO A 37 42.703 30.515 19.706 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.742 30.693 22.473 1.00 0.00 H new ATOM 0 HB3 PRO A 37 44.081 31.277 21.505 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.839 32.834 22.773 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.538 33.248 22.651 1.00 0.00 H new ATOM 0 HD2 PRO A 37 41.658 34.346 20.974 1.00 0.00 H new ATOM 0 HD3 PRO A 37 43.314 34.093 20.460 1.00 0.00 H new ATOM 581 N PRO A 38 40.870 29.171 20.839 1.00 0.00 N ATOM 582 CA PRO A 38 39.632 28.376 21.122 1.00 0.00 C ATOM 583 C PRO A 38 38.996 28.732 22.470 1.00 0.00 C ATOM 584 O PRO A 38 37.781 28.622 22.635 1.00 0.00 O ATOM 585 CB PRO A 38 40.123 26.914 21.092 1.00 0.00 C ATOM 586 CG PRO A 38 41.595 26.992 21.346 1.00 0.00 C ATOM 587 CD PRO A 38 42.057 28.309 20.727 1.00 0.00 C ATOM 0 HA PRO A 38 38.843 28.576 20.396 1.00 0.00 H new ATOM 0 HB2 PRO A 38 39.623 26.315 21.853 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.913 26.447 20.130 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.809 26.966 22.414 1.00 0.00 H new ATOM 0 HG3 PRO A 38 42.114 26.146 20.896 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.910 28.727 21.262 1.00 0.00 H new ATOM 0 HD3 PRO A 38 42.364 28.180 19.689 1.00 0.00 H new ATOM 595 N ASP A 39 39.814 29.149 23.431 1.00 0.00 N ATOM 596 CA ASP A 39 39.296 29.504 24.750 1.00 0.00 C ATOM 597 C ASP A 39 38.581 30.853 24.709 1.00 0.00 C ATOM 598 O ASP A 39 37.960 31.263 25.690 1.00 0.00 O ATOM 599 CB ASP A 39 40.438 29.555 25.769 1.00 0.00 C ATOM 600 CG ASP A 39 41.521 30.513 25.291 1.00 0.00 C ATOM 601 OD1 ASP A 39 41.277 31.210 24.324 1.00 0.00 O1- ATOM 602 OD2 ASP A 39 42.579 30.535 25.898 1.00 0.00 O ATOM 0 H ASP A 39 40.824 29.249 23.326 1.00 0.00 H new ATOM 0 HA ASP A 39 38.579 28.740 25.050 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.057 29.878 26.738 1.00 0.00 H new ATOM 0 HB3 ASP A 39 40.858 28.559 25.907 1.00 0.00 H new ATOM 607 N GLN A 40 38.670 31.540 23.568 1.00 0.00 N ATOM 608 CA GLN A 40 38.025 32.848 23.401 1.00 0.00 C ATOM 609 C GLN A 40 36.893 32.759 22.381 1.00 0.00 C ATOM 610 O GLN A 40 36.409 33.779 21.890 1.00 0.00 O ATOM 611 CB GLN A 40 39.055 33.880 22.927 1.00 0.00 C ATOM 612 CG GLN A 40 39.948 34.290 24.099 1.00 0.00 C ATOM 613 CD GLN A 40 41.013 35.274 23.626 1.00 0.00 C ATOM 614 OE1 GLN A 40 40.698 36.255 22.954 1.00 0.00 O ATOM 615 NE2 GLN A 40 42.264 35.068 23.937 1.00 0.00 N ATOM 0 H GLN A 40 39.181 31.215 22.747 1.00 0.00 H new ATOM 0 HA GLN A 40 37.614 33.156 24.362 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.661 33.461 22.124 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.548 34.755 22.520 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.345 34.745 24.885 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.422 33.409 24.531 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.524 34.254 24.494 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.982 35.721 23.623 1.00 0.00 H new ATOM 624 N GLN A 41 36.480 31.532 22.060 1.00 0.00 N ATOM 625 CA GLN A 41 35.405 31.312 21.086 1.00 0.00 C ATOM 626 C GLN A 41 34.216 30.616 21.737 1.00 0.00 C ATOM 627 O GLN A 41 34.381 29.759 22.605 1.00 0.00 O ATOM 628 CB GLN A 41 35.927 30.454 19.931 1.00 0.00 C ATOM 629 CG GLN A 41 36.922 31.270 19.102 1.00 0.00 C ATOM 630 CD GLN A 41 37.634 30.368 18.101 1.00 0.00 C ATOM 631 OE1 GLN A 41 37.192 29.247 17.848 1.00 0.00 O ATOM 632 NE2 GLN A 41 38.721 30.793 17.517 1.00 0.00 N ATOM 0 H GLN A 41 36.870 30.677 22.457 1.00 0.00 H new ATOM 0 HA GLN A 41 35.077 32.281 20.710 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.409 29.557 20.319 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.098 30.125 19.304 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.400 32.069 18.576 1.00 0.00 H new ATOM 0 HG3 GLN A 41 37.651 31.744 19.759 1.00 0.00 H new ATOM 0 HE21 GLN A 41 39.084 31.722 17.729 1.00 0.00 H new ATOM 0 HE22 GLN A 41 39.208 30.196 16.848 1.00 0.00 H new ATOM 641 N ARG A 42 33.017 30.988 21.300 1.00 0.00 N ATOM 642 CA ARG A 42 31.788 30.398 21.828 1.00 0.00 C ATOM 643 C ARG A 42 30.693 30.461 20.768 1.00 0.00 C ATOM 644 O ARG A 42 30.414 31.527 20.218 1.00 0.00 O ATOM 645 CB ARG A 42 31.344 31.151 23.088 1.00 0.00 C ATOM 646 CG ARG A 42 30.326 30.304 23.863 1.00 0.00 C ATOM 647 CD ARG A 42 30.002 30.972 25.202 1.00 0.00 C ATOM 648 NE ARG A 42 29.088 32.093 25.011 1.00 0.00 N ATOM 649 CZ ARG A 42 28.727 32.861 26.036 1.00 0.00 C ATOM 650 NH1 ARG A 42 29.231 32.644 27.220 1.00 0.00 N ATOM 651 NH2 ARG A 42 27.874 33.833 25.860 1.00 0.00 N1+ ATOM 0 H ARG A 42 32.868 31.696 20.581 1.00 0.00 H new ATOM 0 HA ARG A 42 31.974 29.356 22.089 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.207 31.367 23.718 1.00 0.00 H new ATOM 0 HB3 ARG A 42 30.902 32.109 22.814 1.00 0.00 H new ATOM 0 HG2 ARG A 42 29.415 30.187 23.276 1.00 0.00 H new ATOM 0 HG3 ARG A 42 30.726 29.304 24.033 1.00 0.00 H new ATOM 0 HD2 ARG A 42 29.556 30.244 25.879 1.00 0.00 H new ATOM 0 HD3 ARG A 42 30.921 31.322 25.672 1.00 0.00 H new ATOM 0 HE ARG A 42 28.721 32.291 24.080 1.00 0.00 H new ATOM 0 HH11 ARG A 42 29.900 31.887 27.358 1.00 0.00 H new ATOM 0 HH12 ARG A 42 28.956 33.232 28.007 1.00 0.00 H new ATOM 0 HH21 ARG A 42 27.482 34.006 24.934 1.00 0.00 H new ATOM 0 HH22 ARG A 42 27.600 34.420 26.648 1.00 0.00 H new ATOM 665 N LEU A 43 30.085 29.312 20.470 1.00 0.00 N ATOM 666 CA LEU A 43 29.030 29.245 19.453 1.00 0.00 C ATOM 667 C LEU A 43 27.672 28.962 20.077 1.00 0.00 C ATOM 668 O LEU A 43 27.495 27.987 20.807 1.00 0.00 O ATOM 669 CB LEU A 43 29.357 28.146 18.441 1.00 0.00 C ATOM 670 CG LEU A 43 30.761 28.366 17.867 1.00 0.00 C ATOM 671 CD1 LEU A 43 31.070 27.256 16.859 1.00 0.00 C ATOM 672 CD2 LEU A 43 30.836 29.735 17.172 1.00 0.00 C ATOM 0 H LEU A 43 30.302 28.420 20.914 1.00 0.00 H new ATOM 0 HA LEU A 43 28.985 30.213 18.955 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.300 27.169 18.921 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.621 28.150 17.637 1.00 0.00 H new ATOM 0 HG LEU A 43 31.492 28.342 18.675 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.068 27.406 16.447 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.026 26.288 17.359 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.337 27.282 16.053 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.837 29.883 16.767 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.108 29.772 16.362 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.616 30.522 17.894 1.00 0.00 H new ATOM 684 N ILE A 44 26.707 29.821 19.757 1.00 0.00 N ATOM 685 CA ILE A 44 25.339 29.681 20.251 1.00 0.00 C ATOM 686 C ILE A 44 24.364 29.931 19.103 1.00 0.00 C ATOM 687 O ILE A 44 24.464 30.940 18.406 1.00 0.00 O ATOM 688 CB ILE A 44 25.074 30.681 21.384 1.00 0.00 C ATOM 689 CG1 ILE A 44 25.918 30.309 22.614 1.00 0.00 C ATOM 690 CG2 ILE A 44 23.587 30.652 21.754 1.00 0.00 C ATOM 691 CD1 ILE A 44 26.022 31.514 23.552 1.00 0.00 C ATOM 0 H ILE A 44 26.850 30.629 19.151 1.00 0.00 H new ATOM 0 HA ILE A 44 25.201 28.672 20.640 1.00 0.00 H new ATOM 0 HB ILE A 44 25.347 31.683 21.051 1.00 0.00 H new ATOM 0 HG12 ILE A 44 25.465 29.467 23.137 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.913 29.992 22.302 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.398 31.362 22.559 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.990 30.923 20.883 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.313 29.650 22.083 1.00 0.00 H new ATOM 0 HD11 ILE A 44 26.621 31.247 24.423 1.00 0.00 H new ATOM 0 HD12 ILE A 44 26.495 32.344 23.027 1.00 0.00 H new ATOM 0 HD13 ILE A 44 25.024 31.811 23.875 1.00 0.00 H new ATOM 703 N PHE A 45 23.431 29.002 18.902 1.00 0.00 N ATOM 704 CA PHE A 45 22.447 29.121 17.823 1.00 0.00 C ATOM 705 C PHE A 45 21.029 29.129 18.386 1.00 0.00 C ATOM 706 O PHE A 45 20.657 28.257 19.170 1.00 0.00 O ATOM 707 CB PHE A 45 22.603 27.945 16.859 1.00 0.00 C ATOM 708 CG PHE A 45 21.611 28.088 15.727 1.00 0.00 C ATOM 709 CD1 PHE A 45 21.742 29.139 14.812 1.00 0.00 C ATOM 710 CD2 PHE A 45 20.559 27.173 15.594 1.00 0.00 C ATOM 711 CE1 PHE A 45 20.823 29.274 13.765 1.00 0.00 C ATOM 712 CE2 PHE A 45 19.641 27.307 14.547 1.00 0.00 C ATOM 713 CZ PHE A 45 19.772 28.359 13.632 1.00 0.00 C ATOM 0 H PHE A 45 23.334 28.160 19.470 1.00 0.00 H new ATOM 0 HA PHE A 45 22.620 30.059 17.296 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.619 27.916 16.465 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.438 27.005 17.385 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.552 29.846 14.914 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.456 26.363 16.301 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.925 30.085 13.059 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.832 26.599 14.444 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.063 28.464 12.824 1.00 0.00 H new ATOM 723 N ALA A 46 20.240 30.116 17.975 1.00 0.00 N ATOM 724 CA ALA A 46 18.862 30.226 18.442 1.00 0.00 C ATOM 725 C ALA A 46 18.808 30.239 19.967 1.00 0.00 C ATOM 726 O ALA A 46 17.787 29.893 20.563 1.00 0.00 O ATOM 727 CB ALA A 46 18.035 29.055 17.909 1.00 0.00 C ATOM 0 H ALA A 46 20.528 30.847 17.324 1.00 0.00 H new ATOM 0 HA ALA A 46 18.448 31.163 18.070 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.008 29.145 18.262 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.046 29.068 16.819 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.461 28.117 18.265 1.00 0.00 H new ATOM 733 N GLY A 47 19.910 30.644 20.596 1.00 0.00 N ATOM 734 CA GLY A 47 19.976 30.702 22.056 1.00 0.00 C ATOM 735 C GLY A 47 20.427 29.367 22.641 1.00 0.00 C ATOM 736 O GLY A 47 20.501 29.206 23.860 1.00 0.00 O ATOM 0 H GLY A 47 20.765 30.935 20.121 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.667 31.488 22.361 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.997 30.966 22.457 1.00 0.00 H new ATOM 740 N LYS A 48 20.734 28.410 21.765 1.00 0.00 N ATOM 741 CA LYS A 48 21.183 27.084 22.200 1.00 0.00 C ATOM 742 C LYS A 48 22.703 26.988 22.116 1.00 0.00 C ATOM 743 O LYS A 48 23.302 27.369 21.113 1.00 0.00 O ATOM 744 CB LYS A 48 20.550 26.008 21.315 1.00 0.00 C ATOM 745 CG LYS A 48 19.024 26.093 21.420 1.00 0.00 C ATOM 746 CD LYS A 48 18.389 24.965 20.604 1.00 0.00 C ATOM 747 CE LYS A 48 16.865 25.038 20.732 1.00 0.00 C ATOM 748 NZ LYS A 48 16.353 26.159 19.897 1.00 0.00 N1+ ATOM 0 H LYS A 48 20.681 28.526 20.753 1.00 0.00 H new ATOM 0 HA LYS A 48 20.875 26.930 23.234 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.862 26.144 20.279 1.00 0.00 H new ATOM 0 HB3 LYS A 48 20.892 25.020 21.624 1.00 0.00 H new ATOM 0 HG2 LYS A 48 18.717 26.018 22.463 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.678 27.060 21.054 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.681 25.050 19.557 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.749 23.999 20.958 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.417 24.097 20.412 1.00 0.00 H new ATOM 0 HE3 LYS A 48 16.583 25.188 21.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.316 26.108 19.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.634 27.065 20.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.751 26.088 18.939 1.00 0.00 H new ATOM 762 N GLN A 49 23.325 26.481 23.178 1.00 0.00 N ATOM 763 CA GLN A 49 24.781 26.348 23.216 1.00 0.00 C ATOM 764 C GLN A 49 25.231 25.054 22.549 1.00 0.00 C ATOM 765 O GLN A 49 24.707 23.978 22.838 1.00 0.00 O ATOM 766 CB GLN A 49 25.270 26.369 24.666 1.00 0.00 C ATOM 767 CG GLN A 49 26.787 26.167 24.696 1.00 0.00 C ATOM 768 CD GLN A 49 27.323 26.445 26.097 1.00 0.00 C ATOM 769 OE1 GLN A 49 26.691 27.161 26.873 1.00 0.00 O ATOM 770 NE2 GLN A 49 28.457 25.916 26.468 1.00 0.00 N ATOM 0 H GLN A 49 22.848 26.157 24.019 1.00 0.00 H new ATOM 0 HA GLN A 49 25.210 27.188 22.670 1.00 0.00 H new ATOM 0 HB2 GLN A 49 25.009 27.318 25.135 1.00 0.00 H new ATOM 0 HB3 GLN A 49 24.776 25.584 25.239 1.00 0.00 H new ATOM 0 HG2 GLN A 49 27.032 25.147 24.400 1.00 0.00 H new ATOM 0 HG3 GLN A 49 27.265 26.832 23.976 1.00 0.00 H new ATOM 0 HE21 GLN A 49 28.978 25.323 25.822 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.822 26.096 27.403 1.00 0.00 H new ATOM 779 N LEU A 50 26.208 25.170 21.654 1.00 0.00 N ATOM 780 CA LEU A 50 26.735 24.008 20.944 1.00 0.00 C ATOM 781 C LEU A 50 27.856 23.345 21.738 1.00 0.00 C ATOM 782 O LEU A 50 28.478 23.969 22.597 1.00 0.00 O ATOM 783 CB LEU A 50 27.270 24.437 19.578 1.00 0.00 C ATOM 784 CG LEU A 50 26.239 25.321 18.871 1.00 0.00 C ATOM 785 CD1 LEU A 50 26.711 25.606 17.443 1.00 0.00 C ATOM 786 CD2 LEU A 50 24.880 24.605 18.833 1.00 0.00 C ATOM 0 H LEU A 50 26.650 26.054 21.403 1.00 0.00 H new ATOM 0 HA LEU A 50 25.925 23.290 20.817 1.00 0.00 H new ATOM 0 HB2 LEU A 50 28.207 24.981 19.699 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.487 23.559 18.970 1.00 0.00 H new ATOM 0 HG LEU A 50 26.132 26.260 19.414 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.979 26.235 16.937 1.00 0.00 H new ATOM 0 HD12 LEU A 50 27.672 26.119 17.473 1.00 0.00 H new ATOM 0 HD13 LEU A 50 26.818 24.666 16.901 1.00 0.00 H new ATOM 0 HD21 LEU A 50 24.149 25.238 18.329 1.00 0.00 H new ATOM 0 HD22 LEU A 50 24.980 23.664 18.292 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.546 24.405 19.851 1.00 0.00 H new ATOM 798 N GLU A 51 28.108 22.073 21.435 1.00 0.00 N ATOM 799 CA GLU A 51 29.158 21.314 22.114 1.00 0.00 C ATOM 800 C GLU A 51 29.847 20.370 21.133 1.00 0.00 C ATOM 801 O GLU A 51 29.263 19.971 20.125 1.00 0.00 O ATOM 802 CB GLU A 51 28.560 20.503 23.268 1.00 0.00 C ATOM 803 CG GLU A 51 28.206 21.438 24.426 1.00 0.00 C ATOM 804 CD GLU A 51 27.586 20.636 25.566 1.00 0.00 C ATOM 805 OE1 GLU A 51 27.583 19.419 25.474 1.00 0.00 O1- ATOM 806 OE2 GLU A 51 27.128 21.249 26.515 1.00 0.00 O ATOM 0 H GLU A 51 27.600 21.546 20.724 1.00 0.00 H new ATOM 0 HA GLU A 51 29.891 22.017 22.509 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.669 19.974 22.930 1.00 0.00 H new ATOM 0 HB3 GLU A 51 29.272 19.748 23.602 1.00 0.00 H new ATOM 0 HG2 GLU A 51 29.100 21.953 24.776 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.509 22.204 24.087 1.00 0.00 H new ATOM 813 N ASP A 52 31.091 20.016 21.436 1.00 0.00 N ATOM 814 CA ASP A 52 31.856 19.119 20.578 1.00 0.00 C ATOM 815 C ASP A 52 31.211 17.738 20.527 1.00 0.00 C ATOM 816 O ASP A 52 30.493 17.339 21.444 1.00 0.00 O ATOM 817 CB ASP A 52 33.288 18.994 21.103 1.00 0.00 C ATOM 818 CG ASP A 52 34.064 17.975 20.273 1.00 0.00 C ATOM 819 OD1 ASP A 52 33.741 17.821 19.107 1.00 0.00 O ATOM 820 OD2 ASP A 52 34.968 17.363 20.817 1.00 0.00 O1- ATOM 0 H ASP A 52 31.590 20.335 22.266 1.00 0.00 H new ATOM 0 HA ASP A 52 31.869 19.536 19.571 1.00 0.00 H new ATOM 0 HB2 ASP A 52 33.785 19.963 21.061 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.275 18.688 22.149 1.00 0.00 H new ATOM 825 N GLY A 53 31.478 17.011 19.444 1.00 0.00 N ATOM 826 CA GLY A 53 30.927 15.670 19.269 1.00 0.00 C ATOM 827 C GLY A 53 29.576 15.723 18.564 1.00 0.00 C ATOM 828 O GLY A 53 29.112 14.722 18.019 1.00 0.00 O ATOM 0 H GLY A 53 32.071 17.327 18.677 1.00 0.00 H new ATOM 0 HA2 GLY A 53 31.620 15.061 18.689 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.816 15.189 20.241 1.00 0.00 H new ATOM 832 N ARG A 54 28.950 16.896 18.579 1.00 0.00 N ATOM 833 CA ARG A 54 27.648 17.079 17.939 1.00 0.00 C ATOM 834 C ARG A 54 27.829 17.644 16.535 1.00 0.00 C ATOM 835 O ARG A 54 28.894 18.154 16.191 1.00 0.00 O ATOM 836 CB ARG A 54 26.780 18.040 18.769 1.00 0.00 C ATOM 837 CG ARG A 54 26.235 17.338 20.027 1.00 0.00 C ATOM 838 CD ARG A 54 27.305 17.310 21.121 1.00 0.00 C ATOM 839 NE ARG A 54 26.760 16.740 22.347 1.00 0.00 N ATOM 840 CZ ARG A 54 26.620 15.426 22.490 1.00 0.00 C ATOM 841 NH1 ARG A 54 26.965 14.624 21.517 1.00 0.00 N ATOM 842 NH2 ARG A 54 26.138 14.937 23.599 1.00 0.00 N1+ ATOM 0 H ARG A 54 29.321 17.734 19.026 1.00 0.00 H new ATOM 0 HA ARG A 54 27.153 16.110 17.876 1.00 0.00 H new ATOM 0 HB2 ARG A 54 27.369 18.910 19.059 1.00 0.00 H new ATOM 0 HB3 ARG A 54 25.951 18.404 18.162 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.349 17.859 20.388 1.00 0.00 H new ATOM 0 HG3 ARG A 54 25.929 16.321 19.781 1.00 0.00 H new ATOM 0 HD2 ARG A 54 28.160 16.722 20.788 1.00 0.00 H new ATOM 0 HD3 ARG A 54 27.667 18.320 21.311 1.00 0.00 H new ATOM 0 HE ARG A 54 26.481 17.360 23.108 1.00 0.00 H new ATOM 0 HH11 ARG A 54 27.341 15.007 20.650 1.00 0.00 H new ATOM 0 HH12 ARG A 54 26.858 13.615 21.625 1.00 0.00 H new ATOM 0 HH21 ARG A 54 25.868 15.563 24.358 1.00 0.00 H new ATOM 0 HH22 ARG A 54 26.031 13.928 23.708 1.00 0.00 H new ATOM 856 N THR A 55 26.773 17.551 15.731 1.00 0.00 N ATOM 857 CA THR A 55 26.801 18.056 14.357 1.00 0.00 C ATOM 858 C THR A 55 25.653 19.034 14.136 1.00 0.00 C ATOM 859 O THR A 55 24.828 19.250 15.021 1.00 0.00 O ATOM 860 CB THR A 55 26.675 16.891 13.373 1.00 0.00 C ATOM 861 OG1 THR A 55 25.620 16.035 13.787 1.00 0.00 O ATOM 862 CG2 THR A 55 27.986 16.107 13.332 1.00 0.00 C ATOM 0 H THR A 55 25.885 17.130 16.006 1.00 0.00 H new ATOM 0 HA THR A 55 27.747 18.571 14.190 1.00 0.00 H new ATOM 0 HB THR A 55 26.459 17.280 12.378 1.00 0.00 H new ATOM 0 HG1 THR A 55 24.894 16.070 13.130 1.00 0.00 H new ATOM 0 HG21 THR A 55 27.893 15.278 12.630 1.00 0.00 H new ATOM 0 HG22 THR A 55 28.794 16.765 13.011 1.00 0.00 H new ATOM 0 HG23 THR A 55 28.208 15.718 14.326 1.00 0.00 H new ATOM 870 N LEU A 56 25.603 19.620 12.949 1.00 0.00 N ATOM 871 CA LEU A 56 24.548 20.567 12.619 1.00 0.00 C ATOM 872 C LEU A 56 23.196 19.863 12.592 1.00 0.00 C ATOM 873 O LEU A 56 22.182 20.420 13.012 1.00 0.00 O ATOM 874 CB LEU A 56 24.831 21.190 11.254 1.00 0.00 C ATOM 875 CG LEU A 56 26.248 21.776 11.239 1.00 0.00 C ATOM 876 CD1 LEU A 56 26.564 22.305 9.837 1.00 0.00 C ATOM 877 CD2 LEU A 56 26.352 22.922 12.260 1.00 0.00 C ATOM 0 H LEU A 56 26.277 19.458 12.201 1.00 0.00 H new ATOM 0 HA LEU A 56 24.522 21.348 13.379 1.00 0.00 H new ATOM 0 HB2 LEU A 56 24.730 20.438 10.472 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.101 21.971 11.041 1.00 0.00 H new ATOM 0 HG LEU A 56 26.963 20.997 11.505 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.571 22.722 9.824 1.00 0.00 H new ATOM 0 HD12 LEU A 56 26.500 21.489 9.117 1.00 0.00 H new ATOM 0 HD13 LEU A 56 25.846 23.081 9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.361 23.333 12.244 1.00 0.00 H new ATOM 0 HD22 LEU A 56 25.637 23.704 12.003 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.131 22.542 13.257 1.00 0.00 H new ATOM 889 N SER A 57 23.195 18.633 12.094 1.00 0.00 N ATOM 890 CA SER A 57 21.969 17.847 12.012 1.00 0.00 C ATOM 891 C SER A 57 21.389 17.605 13.402 1.00 0.00 C ATOM 892 O SER A 57 20.194 17.343 13.548 1.00 0.00 O ATOM 893 CB SER A 57 22.259 16.503 11.343 1.00 0.00 C ATOM 894 OG SER A 57 22.885 15.638 12.281 1.00 0.00 O ATOM 0 H SER A 57 24.026 18.159 11.742 1.00 0.00 H new ATOM 0 HA SER A 57 21.243 18.404 11.420 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.333 16.057 10.981 1.00 0.00 H new ATOM 0 HB3 SER A 57 22.904 16.647 10.476 1.00 0.00 H new ATOM 0 HG SER A 57 23.071 14.775 11.856 1.00 0.00 H new ATOM 900 N ASP A 58 22.237 17.701 14.423 1.00 0.00 N ATOM 901 CA ASP A 58 21.789 17.493 15.798 1.00 0.00 C ATOM 902 C ASP A 58 21.141 18.759 16.344 1.00 0.00 C ATOM 903 O ASP A 58 20.099 18.705 16.995 1.00 0.00 O ATOM 904 CB ASP A 58 22.973 17.102 16.684 1.00 0.00 C ATOM 905 CG ASP A 58 23.430 15.687 16.347 1.00 0.00 C ATOM 906 OD1 ASP A 58 22.643 14.952 15.775 1.00 0.00 O1- ATOM 907 OD2 ASP A 58 24.562 15.359 16.665 1.00 0.00 O ATOM 0 H ASP A 58 23.229 17.919 14.327 1.00 0.00 H new ATOM 0 HA ASP A 58 21.054 16.688 15.802 1.00 0.00 H new ATOM 0 HB2 ASP A 58 23.795 17.803 16.538 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.687 17.161 17.734 1.00 0.00 H new ATOM 912 N TYR A 59 21.768 19.897 16.072 1.00 0.00 N ATOM 913 CA TYR A 59 21.249 21.179 16.535 1.00 0.00 C ATOM 914 C TYR A 59 20.182 21.698 15.575 1.00 0.00 C ATOM 915 O TYR A 59 19.662 22.800 15.745 1.00 0.00 O ATOM 916 CB TYR A 59 22.389 22.196 16.624 1.00 0.00 C ATOM 917 CG TYR A 59 23.422 21.733 17.629 1.00 0.00 C ATOM 918 CD1 TYR A 59 23.094 21.658 18.990 1.00 0.00 C ATOM 919 CD2 TYR A 59 24.712 21.389 17.201 1.00 0.00 C ATOM 920 CE1 TYR A 59 24.055 21.240 19.920 1.00 0.00 C ATOM 921 CE2 TYR A 59 25.669 20.971 18.131 1.00 0.00 C ATOM 922 CZ TYR A 59 25.342 20.896 19.490 1.00 0.00 C ATOM 923 OH TYR A 59 26.289 20.486 20.406 1.00 0.00 O ATOM 0 H TYR A 59 22.633 19.959 15.535 1.00 0.00 H new ATOM 0 HA TYR A 59 20.804 21.040 17.520 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.853 22.321 15.645 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.996 23.170 16.917 1.00 0.00 H new ATOM 0 HD1 TYR A 59 22.101 21.922 19.322 1.00 0.00 H new ATOM 0 HD2 TYR A 59 24.967 21.447 16.153 1.00 0.00 H new ATOM 0 HE1 TYR A 59 23.803 21.183 20.969 1.00 0.00 H new ATOM 0 HE2 TYR A 59 26.662 20.706 17.800 1.00 0.00 H new ATOM 0 HH TYR A 59 25.845 20.041 21.158 1.00 0.00 H new ATOM 933 N ASN A 60 19.867 20.898 14.560 1.00 0.00 N ATOM 934 CA ASN A 60 18.867 21.286 13.571 1.00 0.00 C ATOM 935 C ASN A 60 19.268 22.590 12.890 1.00 0.00 C ATOM 936 O ASN A 60 18.420 23.327 12.385 1.00 0.00 O ATOM 937 CB ASN A 60 17.499 21.453 14.236 1.00 0.00 C ATOM 938 CG ASN A 60 16.417 21.596 13.169 1.00 0.00 C ATOM 939 OD1 ASN A 60 16.726 21.689 11.981 1.00 0.00 O ATOM 940 ND2 ASN A 60 15.162 21.621 13.523 1.00 0.00 N ATOM 0 H ASN A 60 20.287 19.982 14.401 1.00 0.00 H new ATOM 0 HA ASN A 60 18.806 20.498 12.820 1.00 0.00 H new ATOM 0 HB2 ASN A 60 17.286 20.592 14.870 1.00 0.00 H new ATOM 0 HB3 ASN A 60 17.504 22.331 14.882 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.434 21.718 12.815 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.908 21.544 14.508 1.00 0.00 H new ATOM 947 N ILE A 61 20.568 22.864 12.875 1.00 0.00 N ATOM 948 CA ILE A 61 21.079 24.075 12.249 1.00 0.00 C ATOM 949 C ILE A 61 20.956 23.975 10.730 1.00 0.00 C ATOM 950 O ILE A 61 21.471 23.043 10.111 1.00 0.00 O ATOM 951 CB ILE A 61 22.543 24.282 12.670 1.00 0.00 C ATOM 952 CG1 ILE A 61 22.575 24.798 14.110 1.00 0.00 C ATOM 953 CG2 ILE A 61 23.225 25.301 11.751 1.00 0.00 C ATOM 954 CD1 ILE A 61 24.002 24.724 14.655 1.00 0.00 C ATOM 0 H ILE A 61 21.284 22.266 13.288 1.00 0.00 H new ATOM 0 HA ILE A 61 20.493 24.934 12.576 1.00 0.00 H new ATOM 0 HB ILE A 61 23.075 23.333 12.596 1.00 0.00 H new ATOM 0 HG12 ILE A 61 22.215 25.826 14.146 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.906 24.205 14.734 1.00 0.00 H new ATOM 0 HG21 ILE A 61 24.261 25.436 12.063 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.200 24.938 10.723 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.700 26.255 11.812 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.019 25.093 15.681 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.346 23.690 14.635 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.659 25.337 14.038 1.00 0.00 H new ATOM 966 N GLN A 62 20.258 24.946 10.143 1.00 0.00 N ATOM 967 CA GLN A 62 20.047 24.982 8.694 1.00 0.00 C ATOM 968 C GLN A 62 20.994 25.980 8.037 1.00 0.00 C ATOM 969 O GLN A 62 21.995 26.385 8.630 1.00 0.00 O ATOM 970 CB GLN A 62 18.601 25.386 8.401 1.00 0.00 C ATOM 971 CG GLN A 62 17.649 24.353 9.004 1.00 0.00 C ATOM 972 CD GLN A 62 16.205 24.810 8.824 1.00 0.00 C ATOM 973 OE1 GLN A 62 15.946 25.796 8.135 1.00 0.00 O ATOM 974 NE2 GLN A 62 15.244 24.149 9.411 1.00 0.00 N ATOM 0 H GLN A 62 19.828 25.720 10.649 1.00 0.00 H new ATOM 0 HA GLN A 62 20.247 23.991 8.287 1.00 0.00 H new ATOM 0 HB2 GLN A 62 18.396 26.372 8.819 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.443 25.457 7.325 1.00 0.00 H new ATOM 0 HG2 GLN A 62 17.796 23.386 8.523 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.868 24.219 10.063 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.462 23.332 9.982 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.276 24.450 9.299 1.00 0.00 H new ATOM 983 N LYS A 63 20.669 26.374 6.810 1.00 0.00 N ATOM 984 CA LYS A 63 21.491 27.325 6.072 1.00 0.00 C ATOM 985 C LYS A 63 21.250 28.747 6.577 1.00 0.00 C ATOM 986 O LYS A 63 20.196 29.047 7.137 1.00 0.00 O ATOM 987 CB LYS A 63 21.156 27.243 4.576 1.00 0.00 C ATOM 988 CG LYS A 63 22.323 27.786 3.745 1.00 0.00 C ATOM 989 CD LYS A 63 21.998 27.637 2.256 1.00 0.00 C ATOM 990 CE LYS A 63 23.185 28.125 1.422 1.00 0.00 C ATOM 991 NZ LYS A 63 22.860 28.001 -0.026 1.00 0.00 N1+ ATOM 0 H LYS A 63 19.843 26.050 6.307 1.00 0.00 H new ATOM 0 HA LYS A 63 22.541 27.074 6.226 1.00 0.00 H new ATOM 0 HB2 LYS A 63 20.951 26.209 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 63 20.252 27.815 4.366 1.00 0.00 H new ATOM 0 HG2 LYS A 63 22.500 28.834 3.987 1.00 0.00 H new ATOM 0 HG3 LYS A 63 23.238 27.245 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 63 21.781 26.595 2.023 1.00 0.00 H new ATOM 0 HD3 LYS A 63 21.106 28.212 2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 63 23.413 29.162 1.667 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.074 27.539 1.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.667 28.333 -0.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 22.663 27.005 -0.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 22.023 28.578 -0.245 1.00 0.00 H new ATOM 1005 N GLU A 64 22.233 29.617 6.370 1.00 0.00 N ATOM 1006 CA GLU A 64 22.120 31.007 6.802 1.00 0.00 C ATOM 1007 C GLU A 64 21.801 31.087 8.292 1.00 0.00 C ATOM 1008 O GLU A 64 21.236 32.075 8.761 1.00 0.00 O ATOM 1009 CB GLU A 64 21.020 31.717 6.005 1.00 0.00 C ATOM 1010 CG GLU A 64 21.091 31.282 4.540 1.00 0.00 C ATOM 1011 CD GLU A 64 20.251 32.216 3.675 1.00 0.00 C ATOM 1012 OE1 GLU A 64 19.833 33.245 4.180 1.00 0.00 O1- ATOM 1013 OE2 GLU A 64 20.037 31.888 2.519 1.00 0.00 O ATOM 0 H GLU A 64 23.113 29.387 5.908 1.00 0.00 H new ATOM 0 HA GLU A 64 23.076 31.498 6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 64 20.042 31.476 6.420 1.00 0.00 H new ATOM 0 HB3 GLU A 64 21.141 32.798 6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 64 22.126 31.291 4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 64 20.731 30.258 4.439 1.00 0.00 H new ATOM 1020 N SER A 65 22.164 30.046 9.031 1.00 0.00 N ATOM 1021 CA SER A 65 21.908 30.022 10.466 1.00 0.00 C ATOM 1022 C SER A 65 22.737 31.098 11.167 1.00 0.00 C ATOM 1023 O SER A 65 23.951 31.178 10.979 1.00 0.00 O ATOM 1024 CB SER A 65 22.240 28.631 11.019 1.00 0.00 C ATOM 1025 OG SER A 65 21.051 27.851 11.051 1.00 0.00 O ATOM 0 H SER A 65 22.631 29.216 8.666 1.00 0.00 H new ATOM 0 HA SER A 65 20.855 30.233 10.652 1.00 0.00 H new ATOM 0 HB2 SER A 65 22.991 28.147 10.395 1.00 0.00 H new ATOM 0 HB3 SER A 65 22.663 28.715 12.020 1.00 0.00 H new ATOM 0 HG SER A 65 20.598 27.980 11.911 1.00 0.00 H new ATOM 1031 N THR A 66 22.074 31.933 11.966 1.00 0.00 N ATOM 1032 CA THR A 66 22.760 33.008 12.675 1.00 0.00 C ATOM 1033 C THR A 66 23.381 32.503 13.971 1.00 0.00 C ATOM 1034 O THR A 66 22.677 32.170 14.923 1.00 0.00 O ATOM 1035 CB THR A 66 21.770 34.140 12.985 1.00 0.00 C ATOM 1036 OG1 THR A 66 21.412 34.796 11.777 1.00 0.00 O ATOM 1037 CG2 THR A 66 22.408 35.149 13.947 1.00 0.00 C ATOM 0 H THR A 66 21.070 31.885 12.137 1.00 0.00 H new ATOM 0 HA THR A 66 23.559 33.382 12.035 1.00 0.00 H new ATOM 0 HB THR A 66 20.880 33.719 13.452 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.779 35.518 11.972 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.698 35.948 14.160 1.00 0.00 H new ATOM 0 HG22 THR A 66 22.678 34.646 14.876 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.303 35.572 13.490 1.00 0.00 H new ATOM 1045 N LEU A 67 24.707 32.482 14.002 1.00 0.00 N ATOM 1046 CA LEU A 67 25.436 32.049 15.187 1.00 0.00 C ATOM 1047 C LEU A 67 25.695 33.260 16.080 1.00 0.00 C ATOM 1048 O LEU A 67 25.044 34.295 15.928 1.00 0.00 O ATOM 1049 CB LEU A 67 26.772 31.412 14.778 1.00 0.00 C ATOM 1050 CG LEU A 67 26.541 30.082 14.033 1.00 0.00 C ATOM 1051 CD1 LEU A 67 25.853 29.058 14.956 1.00 0.00 C ATOM 1052 CD2 LEU A 67 25.676 30.316 12.779 1.00 0.00 C ATOM 0 H LEU A 67 25.300 32.760 13.220 1.00 0.00 H new ATOM 0 HA LEU A 67 24.846 31.310 15.728 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.327 32.099 14.140 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.382 31.236 15.664 1.00 0.00 H new ATOM 0 HG LEU A 67 27.510 29.687 13.729 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.698 28.126 14.413 1.00 0.00 H new ATOM 0 HD12 LEU A 67 26.483 28.871 15.826 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.891 29.452 15.283 1.00 0.00 H new ATOM 0 HD21 LEU A 67 25.521 29.369 12.262 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.712 30.731 13.074 1.00 0.00 H new ATOM 0 HD23 LEU A 67 26.183 31.014 12.113 1.00 0.00 H new ATOM 1064 N HIS A 68 26.642 33.140 17.004 1.00 0.00 N ATOM 1065 CA HIS A 68 26.962 34.250 17.899 1.00 0.00 C ATOM 1066 C HIS A 68 28.392 34.135 18.412 1.00 0.00 C ATOM 1067 O HIS A 68 28.740 33.184 19.112 1.00 0.00 O ATOM 1068 CB HIS A 68 25.994 34.271 19.080 1.00 0.00 C ATOM 1069 CG HIS A 68 24.601 34.542 18.582 1.00 0.00 C ATOM 1070 ND1 HIS A 68 24.278 35.692 17.879 1.00 0.00 N ATOM 1071 CD2 HIS A 68 23.439 33.817 18.671 1.00 0.00 C ATOM 1072 CE1 HIS A 68 22.970 35.626 17.574 1.00 0.00 C ATOM 1073 NE2 HIS A 68 22.410 34.502 18.032 1.00 0.00 N ATOM 0 H HIS A 68 27.196 32.297 17.154 1.00 0.00 H new ATOM 0 HA HIS A 68 26.865 35.179 17.336 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.024 33.317 19.606 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.292 35.038 19.795 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.339 32.860 19.162 1.00 0.00 H new ATOM 0 HE1 HIS A 68 22.437 36.388 17.026 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.438 34.209 17.934 1.00 0.00 H new ATOM 1081 N ILE A 69 29.215 35.119 18.058 1.00 0.00 N ATOM 1082 CA ILE A 69 30.614 35.139 18.479 1.00 0.00 C ATOM 1083 C ILE A 69 30.775 35.974 19.746 1.00 0.00 C ATOM 1084 O ILE A 69 30.628 37.196 19.717 1.00 0.00 O ATOM 1085 CB ILE A 69 31.474 35.734 17.362 1.00 0.00 C ATOM 1086 CG1 ILE A 69 31.350 34.863 16.105 1.00 0.00 C ATOM 1087 CG2 ILE A 69 32.936 35.778 17.811 1.00 0.00 C ATOM 1088 CD1 ILE A 69 31.856 35.640 14.886 1.00 0.00 C ATOM 0 H ILE A 69 28.938 35.913 17.481 1.00 0.00 H new ATOM 0 HA ILE A 69 30.935 34.118 18.687 1.00 0.00 H new ATOM 0 HB ILE A 69 31.133 36.745 17.139 1.00 0.00 H new ATOM 0 HG12 ILE A 69 31.926 33.946 16.228 1.00 0.00 H new ATOM 0 HG13 ILE A 69 30.311 34.569 15.955 1.00 0.00 H new ATOM 0 HG21 ILE A 69 33.548 36.202 17.015 1.00 0.00 H new ATOM 0 HG22 ILE A 69 33.024 36.396 18.705 1.00 0.00 H new ATOM 0 HG23 ILE A 69 33.279 34.768 18.034 1.00 0.00 H new ATOM 0 HD11 ILE A 69 31.766 35.018 13.995 1.00 0.00 H new ATOM 0 HD12 ILE A 69 31.261 36.544 14.758 1.00 0.00 H new ATOM 0 HD13 ILE A 69 32.901 35.911 15.036 1.00 0.00 H new ATOM 1100 N VAL A 70 31.079 35.306 20.859 1.00 0.00 N ATOM 1101 CA VAL A 70 31.263 35.991 22.141 1.00 0.00 C ATOM 1102 C VAL A 70 32.745 36.075 22.489 1.00 0.00 C ATOM 1103 O VAL A 70 33.379 35.064 22.792 1.00 0.00 O ATOM 1104 CB VAL A 70 30.528 35.229 23.246 1.00 0.00 C ATOM 1105 CG1 VAL A 70 30.449 36.096 24.503 1.00 0.00 C ATOM 1106 CG2 VAL A 70 29.115 34.887 22.771 1.00 0.00 C ATOM 0 H VAL A 70 31.203 34.294 20.900 1.00 0.00 H new ATOM 0 HA VAL A 70 30.857 36.999 22.058 1.00 0.00 H new ATOM 0 HB VAL A 70 31.069 34.311 23.476 1.00 0.00 H new ATOM 0 HG11 VAL A 70 29.925 35.551 25.288 1.00 0.00 H new ATOM 0 HG12 VAL A 70 31.456 36.340 24.841 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.909 37.016 24.277 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.589 34.344 23.556 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.576 35.806 22.541 1.00 0.00 H new ATOM 0 HG23 VAL A 70 29.172 34.267 21.876 1.00 0.00 H new ATOM 1116 N TRP A 71 33.296 37.287 22.441 1.00 0.00 N ATOM 1117 CA TRP A 71 34.711 37.494 22.753 1.00 0.00 C ATOM 1118 C TRP A 71 34.876 37.941 24.201 1.00 0.00 C ATOM 1119 O TRP A 71 34.408 39.012 24.590 1.00 0.00 O ATOM 1120 CB TRP A 71 35.298 38.554 21.814 1.00 0.00 C ATOM 1121 CG TRP A 71 36.708 38.869 22.211 1.00 0.00 C ATOM 1122 CD1 TRP A 71 37.669 37.951 22.474 1.00 0.00 C ATOM 1123 CD2 TRP A 71 37.331 40.175 22.393 1.00 0.00 C ATOM 1124 NE1 TRP A 71 38.838 38.610 22.806 1.00 0.00 N ATOM 1125 CE2 TRP A 71 38.681 39.980 22.771 1.00 0.00 C ATOM 1126 CE3 TRP A 71 36.862 41.495 22.268 1.00 0.00 C ATOM 1127 CZ2 TRP A 71 39.535 41.056 23.017 1.00 0.00 C ATOM 1128 CZ3 TRP A 71 37.719 42.581 22.515 1.00 0.00 C ATOM 1129 CH2 TRP A 71 39.052 42.361 22.889 1.00 0.00 C ATOM 0 H TRP A 71 32.789 38.136 22.191 1.00 0.00 H new ATOM 0 HA TRP A 71 35.242 36.552 22.614 1.00 0.00 H new ATOM 0 HB2 TRP A 71 35.273 38.194 20.786 1.00 0.00 H new ATOM 0 HB3 TRP A 71 34.691 39.459 21.850 1.00 0.00 H new ATOM 0 HD1 TRP A 71 37.542 36.879 22.431 1.00 0.00 H new ATOM 0 HE1 TRP A 71 39.711 38.140 23.047 1.00 0.00 H new ATOM 0 HE3 TRP A 71 35.837 41.675 21.980 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 40.561 40.881 23.304 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 37.349 43.591 22.416 1.00 0.00 H new ATOM 0 HH2 TRP A 71 39.705 43.200 23.078 1.00 0.00 H new ATOM 1140 N ARG A 72 35.547 37.112 24.995 1.00 0.00 N ATOM 1141 CA ARG A 72 35.772 37.422 26.402 1.00 0.00 C ATOM 1142 C ARG A 72 37.008 36.691 26.913 1.00 0.00 C ATOM 1143 O ARG A 72 37.206 35.509 26.628 1.00 0.00 O ATOM 1144 CB ARG A 72 34.550 37.016 27.227 1.00 0.00 C ATOM 1145 CG ARG A 72 34.758 37.425 28.685 1.00 0.00 C ATOM 1146 CD ARG A 72 33.464 37.199 29.467 1.00 0.00 C ATOM 1147 NE ARG A 72 33.611 37.688 30.833 1.00 0.00 N ATOM 1148 CZ ARG A 72 32.558 37.819 31.633 1.00 0.00 C ATOM 1149 NH1 ARG A 72 31.366 37.523 31.194 1.00 0.00 N ATOM 1150 NH2 ARG A 72 32.717 38.245 32.855 1.00 0.00 N1+ ATOM 0 H ARG A 72 35.943 36.223 24.689 1.00 0.00 H new ATOM 0 HA ARG A 72 35.932 38.495 26.503 1.00 0.00 H new ATOM 0 HB2 ARG A 72 33.655 37.493 26.829 1.00 0.00 H new ATOM 0 HB3 ARG A 72 34.394 35.939 27.159 1.00 0.00 H new ATOM 0 HG2 ARG A 72 35.568 36.843 29.125 1.00 0.00 H new ATOM 0 HG3 ARG A 72 35.051 38.473 28.742 1.00 0.00 H new ATOM 0 HD2 ARG A 72 32.638 37.714 28.975 1.00 0.00 H new ATOM 0 HD3 ARG A 72 33.217 36.137 29.477 1.00 0.00 H new ATOM 0 HE ARG A 72 34.538 37.934 31.180 1.00 0.00 H new ATOM 0 HH11 ARG A 72 31.243 37.191 30.237 1.00 0.00 H new ATOM 0 HH12 ARG A 72 30.557 37.623 31.807 1.00 0.00 H new ATOM 0 HH21 ARG A 72 33.649 38.478 33.197 1.00 0.00 H new ATOM 0 HH22 ARG A 72 31.909 38.346 33.469 1.00 0.00 H new ATOM 1164 N LEU A 73 37.841 37.404 27.665 1.00 0.00 N ATOM 1165 CA LEU A 73 39.064 36.820 28.209 1.00 0.00 C ATOM 1166 C LEU A 73 38.782 36.116 29.532 1.00 0.00 C ATOM 1167 O LEU A 73 38.149 36.681 30.424 1.00 0.00 O ATOM 1168 CB LEU A 73 40.105 37.920 28.424 1.00 0.00 C ATOM 1169 CG LEU A 73 40.202 38.790 27.167 1.00 0.00 C ATOM 1170 CD1 LEU A 73 41.256 39.878 27.384 1.00 0.00 C ATOM 1171 CD2 LEU A 73 40.597 37.923 25.963 1.00 0.00 C ATOM 0 H LEU A 73 37.693 38.383 27.911 1.00 0.00 H new ATOM 0 HA LEU A 73 39.446 36.086 27.499 1.00 0.00 H new ATOM 0 HB2 LEU A 73 39.829 38.533 29.282 1.00 0.00 H new ATOM 0 HB3 LEU A 73 41.076 37.477 28.648 1.00 0.00 H new ATOM 0 HG LEU A 73 39.234 39.252 26.972 1.00 0.00 H new ATOM 0 HD11 LEU A 73 41.327 40.499 26.491 1.00 0.00 H new ATOM 0 HD12 LEU A 73 40.970 40.497 28.234 1.00 0.00 H new ATOM 0 HD13 LEU A 73 42.222 39.414 27.581 1.00 0.00 H new ATOM 0 HD21 LEU A 73 40.664 38.547 25.072 1.00 0.00 H new ATOM 0 HD22 LEU A 73 41.563 37.456 26.153 1.00 0.00 H new ATOM 0 HD23 LEU A 73 39.844 37.150 25.809 1.00 0.00 H new ATOM 1183 N ARG A 74 39.257 34.880 29.655 1.00 0.00 N ATOM 1184 CA ARG A 74 39.048 34.111 30.876 1.00 0.00 C ATOM 1185 C ARG A 74 39.875 34.690 32.018 1.00 0.00 C ATOM 1186 O ARG A 74 39.856 34.174 33.136 1.00 0.00 O ATOM 1187 CB ARG A 74 39.437 32.646 30.649 1.00 0.00 C ATOM 1188 CG ARG A 74 40.912 32.553 30.243 1.00 0.00 C ATOM 1189 CD ARG A 74 41.289 31.087 30.027 1.00 0.00 C ATOM 1190 NE ARG A 74 42.700 30.975 29.670 1.00 0.00 N ATOM 1191 CZ ARG A 74 43.287 29.788 29.557 1.00 0.00 C ATOM 1192 NH1 ARG A 74 42.600 28.699 29.766 1.00 0.00 N ATOM 1193 NH2 ARG A 74 44.549 29.711 29.236 1.00 0.00 N1+ ATOM 0 H ARG A 74 39.785 34.393 28.930 1.00 0.00 H new ATOM 0 HA ARG A 74 37.992 34.166 31.141 1.00 0.00 H new ATOM 0 HB2 ARG A 74 39.264 32.070 31.558 1.00 0.00 H new ATOM 0 HB3 ARG A 74 38.809 32.210 29.872 1.00 0.00 H new ATOM 0 HG2 ARG A 74 41.086 33.123 29.330 1.00 0.00 H new ATOM 0 HG3 ARG A 74 41.542 32.991 31.017 1.00 0.00 H new ATOM 0 HD2 ARG A 74 41.090 30.516 30.934 1.00 0.00 H new ATOM 0 HD3 ARG A 74 40.672 30.658 29.238 1.00 0.00 H new ATOM 0 HE ARG A 74 43.244 31.822 29.505 1.00 0.00 H new ATOM 0 HH11 ARG A 74 41.613 28.759 30.016 1.00 0.00 H new ATOM 0 HH12 ARG A 74 43.050 27.788 29.679 1.00 0.00 H new ATOM 0 HH21 ARG A 74 45.086 30.562 29.071 1.00 0.00 H new ATOM 0 HH22 ARG A 74 44.999 28.799 29.150 1.00 0.00 H new ATOM 1207 N GLY A 75 40.606 35.760 31.727 1.00 0.00 N ATOM 1208 CA GLY A 75 41.442 36.398 32.736 1.00 0.00 C ATOM 1209 C GLY A 75 42.712 35.588 32.965 1.00 0.00 C ATOM 1210 O GLY A 75 42.845 34.470 32.465 1.00 0.00 O ATOM 0 H GLY A 75 40.637 36.201 30.808 1.00 0.00 H new ATOM 0 HA2 GLY A 75 41.700 37.408 32.418 1.00 0.00 H new ATOM 0 HA3 GLY A 75 40.889 36.490 33.671 1.00 0.00 H new ATOM 1214 N GLY A 76 43.643 36.153 33.724 1.00 0.00 N ATOM 1215 CA GLY A 76 44.898 35.467 34.009 1.00 0.00 C ATOM 1216 C GLY A 76 44.643 34.160 34.748 1.00 0.00 C ATOM 1217 O GLY A 76 45.196 33.152 34.339 1.00 0.00 O ATOM 1218 OXT GLY A 76 43.896 34.182 35.713 1.00 0.00 O ATOM 0 H GLY A 76 43.555 37.076 34.150 1.00 0.00 H new ATOM 0 HA2 GLY A 76 45.428 35.266 33.078 1.00 0.00 H new ATOM 0 HA3 GLY A 76 45.541 36.110 34.609 1.00 0.00 H new TER 1222 GLY A 76