USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 960 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 15 HIS : no HD1:sc= -0.635 K(o=0.35,f=-0.23) USER MOD Set 1.2: A 89 THR OG1 : rot 55:sc= 0.986 USER MOD Set 2.1: A 74 ASN : amide:sc= -2.66! C(o=-2.7!,f=-4.2!) USER MOD Set 2.2: A 77 ASN : amide:sc=-0.00981 X(o=-2.7,f=-2.2) USER MOD Set 3.1: A 51 THR OG1 : rot 171:sc=-0.00739 USER MOD Set 3.2: A 53 TYR OH : rot 180:sc= 0.00106 USER MOD Set 4.1: A 46 ASN : amide:sc= 0 X(o=0.68,f=0.24) USER MOD Set 4.2: A 50 SER OG : rot 36:sc= 0.676 USER MOD Set 5.1: A 24 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 27 ASN : amide:sc= -3.32 K(o=-3.3,f=-0.16) USER MOD Set 6.1: A 23 TYR OH : rot -91:sc= 0.104 USER MOD Set 6.2: A 106 ASN : amide:sc= -0.269 X(o=-0.16,f=0.13) USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -169:sc= -10.2! (180deg=-10.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot -15:sc= -0.944 USER MOD Single : A 33 LYS NZ :NH3+ 154:sc= -0.05 (180deg=-0.36) USER MOD Single : A 36 SER OG : rot -100:sc= -0.925! USER MOD Single : A 37 ASN : amide:sc=-0.000756 X(o=-0.00076,f=-0.15) USER MOD Single : A 39 ASN : amide:sc= -0.274 K(o=-0.27,f=-4.4!) USER MOD Single : A 40 THR OG1 : rot 86:sc= 1.19 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 43 THR OG1 : rot -14:sc= 0.365! USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.76! C(o=-2.8!,f=-2.7!) USER MOD Single : A 59 ASN : amide:sc= -1.04 K(o=-1,f=-4.5!) USER MOD Single : A 60 SER OG : rot -170:sc= 0.0163 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 THR OG1 : rot 62:sc= 1.13 USER MOD Single : A 72 SER OG : rot -67:sc= 0.208 USER MOD Single : A 81 SER OG : rot 180:sc= 0.0245 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 104:sc= 1.26 USER MOD Single : A 93 ASN : amide:sc= -7.84! C(o=-7.8!,f=-6.4!) USER MOD Single : A 96 LYS NZ :NH3+ -163:sc= 0.324 (180deg=0.246) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -22:sc= 0.185 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 MET CE :methyl -141:sc= -3.79! (180deg=-6.59!) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 116 LYS NZ :NH3+ -132:sc= -0.0399 (180deg=-1.24!) USER MOD Single : A 118 THR OG1 : rot -60:sc= 0.803 USER MOD Single : A 121 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -6.910 -10.863 1.844 1.00 0.00 N ATOM 2 CA LYS A 1 -5.664 -11.478 1.315 1.00 0.00 C ATOM 3 C LYS A 1 -4.672 -10.412 0.862 1.00 0.00 C ATOM 4 O LYS A 1 -4.832 -9.815 -0.201 1.00 0.00 O ATOM 5 CB LYS A 1 -6.031 -12.390 0.143 1.00 0.00 C ATOM 6 CG LYS A 1 -5.355 -13.750 0.196 1.00 0.00 C ATOM 7 CD LYS A 1 -4.027 -13.740 -0.542 1.00 0.00 C ATOM 8 CE LYS A 1 -4.183 -14.221 -1.976 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.183 -13.593 -2.884 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.566 -11.612 2.145 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.680 -10.257 2.657 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.357 -10.289 1.100 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.186 -12.056 2.106 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.112 -12.531 0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.761 -11.895 -0.790 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.193 -14.037 1.235 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -6.011 -14.501 -0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.615 -12.731 -0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.314 -14.377 -0.019 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -4.073 -15.305 -2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.188 -13.991 -2.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -3.323 -13.947 -3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -3.304 -12.560 -2.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -2.223 -13.833 -2.563 1.00 0.00 H new ATOM 25 N VAL A 2 -3.649 -10.179 1.676 1.00 0.00 N ATOM 26 CA VAL A 2 -2.629 -9.184 1.362 1.00 0.00 C ATOM 27 C VAL A 2 -1.491 -9.803 0.552 1.00 0.00 C ATOM 28 O VAL A 2 -1.163 -10.978 0.721 1.00 0.00 O ATOM 29 CB VAL A 2 -2.053 -8.550 2.649 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.822 -7.711 2.346 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.105 -7.703 3.345 1.00 0.00 C ATOM 0 H VAL A 2 -3.503 -10.666 2.560 1.00 0.00 H new ATOM 0 HA VAL A 2 -3.109 -8.407 0.768 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.757 -9.361 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.440 -7.278 3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.055 -8.340 1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.088 -6.912 1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.680 -7.265 4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.433 -6.907 2.676 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.958 -8.328 3.611 1.00 0.00 H new ATOM 41 N PHE A 3 -0.876 -8.996 -0.308 1.00 0.00 N ATOM 42 CA PHE A 3 0.243 -9.442 -1.124 1.00 0.00 C ATOM 43 C PHE A 3 1.445 -9.780 -0.252 1.00 0.00 C ATOM 44 O PHE A 3 1.512 -9.401 0.917 1.00 0.00 O ATOM 45 CB PHE A 3 0.652 -8.340 -2.102 1.00 0.00 C ATOM 46 CG PHE A 3 -0.065 -8.373 -3.416 1.00 0.00 C ATOM 47 CD1 PHE A 3 0.393 -9.172 -4.450 1.00 0.00 C ATOM 48 CD2 PHE A 3 -1.189 -7.593 -3.620 1.00 0.00 C ATOM 49 CE1 PHE A 3 -0.261 -9.192 -5.666 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.846 -7.607 -4.834 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.381 -8.408 -5.858 1.00 0.00 C ATOM 0 H PHE A 3 -1.139 -8.022 -0.456 1.00 0.00 H new ATOM 0 HA PHE A 3 -0.075 -10.331 -1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 3 0.477 -7.372 -1.632 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.724 -8.416 -2.286 1.00 0.00 H new ATOM 0 HD1 PHE A 3 1.270 -9.785 -4.304 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -1.557 -6.966 -2.821 1.00 0.00 H new ATOM 0 HE1 PHE A 3 0.103 -9.820 -6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -2.722 -6.993 -4.982 1.00 0.00 H new ATOM 0 HZ PHE A 3 -1.893 -8.421 -6.809 1.00 0.00 H new ATOM 61 N GLY A 4 2.400 -10.475 -0.849 1.00 0.00 N ATOM 62 CA GLY A 4 3.610 -10.841 -0.142 1.00 0.00 C ATOM 63 C GLY A 4 4.696 -9.804 -0.336 1.00 0.00 C ATOM 64 O GLY A 4 4.690 -9.078 -1.330 1.00 0.00 O ATOM 0 H GLY A 4 2.359 -10.794 -1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.394 -10.950 0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.962 -11.810 -0.497 1.00 0.00 H new ATOM 68 N ARG A 5 5.625 -9.722 0.609 1.00 0.00 N ATOM 69 CA ARG A 5 6.710 -8.752 0.517 1.00 0.00 C ATOM 70 C ARG A 5 7.434 -8.880 -0.812 1.00 0.00 C ATOM 71 O ARG A 5 7.402 -7.964 -1.633 1.00 0.00 O ATOM 72 CB ARG A 5 7.693 -8.932 1.676 1.00 0.00 C ATOM 73 CG ARG A 5 7.057 -8.758 3.046 1.00 0.00 C ATOM 74 CD ARG A 5 7.453 -7.435 3.679 1.00 0.00 C ATOM 75 NE ARG A 5 8.791 -7.484 4.261 1.00 0.00 N ATOM 76 CZ ARG A 5 9.049 -7.227 5.540 1.00 0.00 C ATOM 77 NH1 ARG A 5 8.064 -6.902 6.367 1.00 0.00 N ATOM 78 NH2 ARG A 5 10.293 -7.293 5.994 1.00 0.00 N ATOM 0 H ARG A 5 5.650 -10.310 1.442 1.00 0.00 H new ATOM 0 HA ARG A 5 6.278 -7.753 0.580 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.137 -9.926 1.614 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.505 -8.213 1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 5 5.972 -8.808 2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.360 -9.579 3.696 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.414 -6.647 2.926 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.731 -7.173 4.452 1.00 0.00 H new ATOM 0 HE ARG A 5 9.572 -7.729 3.652 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.105 -6.849 6.022 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.265 -6.705 7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.054 -7.541 5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.489 -7.096 6.975 1.00 0.00 H new ATOM 92 N CYS A 6 8.081 -10.017 -1.028 1.00 0.00 N ATOM 93 CA CYS A 6 8.795 -10.236 -2.271 1.00 0.00 C ATOM 94 C CYS A 6 7.841 -10.668 -3.370 1.00 0.00 C ATOM 95 O CYS A 6 8.020 -10.298 -4.524 1.00 0.00 O ATOM 96 CB CYS A 6 9.896 -11.270 -2.098 1.00 0.00 C ATOM 97 SG CYS A 6 10.655 -11.281 -0.443 1.00 0.00 S ATOM 0 H CYS A 6 8.125 -10.791 -0.366 1.00 0.00 H new ATOM 0 HA CYS A 6 9.256 -9.291 -2.558 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.486 -12.259 -2.304 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.672 -11.085 -2.840 1.00 0.00 H new ATOM 102 N GLU A 7 6.817 -11.440 -3.010 1.00 0.00 N ATOM 103 CA GLU A 7 5.840 -11.885 -3.994 1.00 0.00 C ATOM 104 C GLU A 7 5.419 -10.691 -4.833 1.00 0.00 C ATOM 105 O GLU A 7 5.476 -10.720 -6.066 1.00 0.00 O ATOM 106 CB GLU A 7 4.623 -12.510 -3.306 1.00 0.00 C ATOM 107 CG GLU A 7 4.941 -13.795 -2.558 1.00 0.00 C ATOM 108 CD GLU A 7 3.948 -14.082 -1.449 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.769 -14.353 -1.761 1.00 0.00 O ATOM 110 OE2 GLU A 7 4.350 -14.038 -0.267 1.00 0.00 O ATOM 0 H GLU A 7 6.646 -11.765 -2.058 1.00 0.00 H new ATOM 0 HA GLU A 7 6.287 -12.647 -4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.200 -11.788 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.858 -12.715 -4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.947 -14.628 -3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.943 -13.727 -2.135 1.00 0.00 H new ATOM 117 N LEU A 8 5.034 -9.626 -4.145 1.00 0.00 N ATOM 118 CA LEU A 8 4.641 -8.404 -4.811 1.00 0.00 C ATOM 119 C LEU A 8 5.835 -7.784 -5.522 1.00 0.00 C ATOM 120 O LEU A 8 5.693 -7.296 -6.638 1.00 0.00 O ATOM 121 CB LEU A 8 4.054 -7.392 -3.824 1.00 0.00 C ATOM 122 CG LEU A 8 4.059 -5.941 -4.318 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.688 -5.543 -4.841 1.00 0.00 C ATOM 124 CD2 LEU A 8 4.506 -4.996 -3.214 1.00 0.00 C ATOM 0 H LEU A 8 4.987 -9.588 -3.127 1.00 0.00 H new ATOM 0 HA LEU A 8 3.872 -8.659 -5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.028 -7.680 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.616 -7.446 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 8 4.772 -5.867 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.716 -4.509 -5.186 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.411 -6.195 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.952 -5.639 -4.043 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.502 -3.972 -3.588 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.824 -5.076 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.514 -5.261 -2.894 1.00 0.00 H new ATOM 136 N ALA A 9 7.016 -7.810 -4.882 1.00 0.00 N ATOM 137 CA ALA A 9 8.214 -7.234 -5.490 1.00 0.00 C ATOM 138 C ALA A 9 8.504 -7.865 -6.843 1.00 0.00 C ATOM 139 O ALA A 9 8.632 -7.163 -7.845 1.00 0.00 O ATOM 140 CB ALA A 9 9.411 -7.375 -4.570 1.00 0.00 C ATOM 0 H ALA A 9 7.160 -8.218 -3.958 1.00 0.00 H new ATOM 0 HA ALA A 9 8.025 -6.172 -5.647 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.289 -6.939 -5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.212 -6.857 -3.632 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.594 -8.431 -4.370 1.00 0.00 H new ATOM 146 N ALA A 10 8.592 -9.192 -6.876 1.00 0.00 N ATOM 147 CA ALA A 10 8.842 -9.898 -8.119 1.00 0.00 C ATOM 148 C ALA A 10 7.863 -9.416 -9.173 1.00 0.00 C ATOM 149 O ALA A 10 8.221 -9.224 -10.336 1.00 0.00 O ATOM 150 CB ALA A 10 8.719 -11.401 -7.916 1.00 0.00 C ATOM 0 H ALA A 10 8.494 -9.793 -6.058 1.00 0.00 H new ATOM 0 HA ALA A 10 9.859 -9.690 -8.453 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.910 -11.912 -8.859 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.445 -11.728 -7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.713 -11.640 -7.571 1.00 0.00 H new ATOM 156 N ALA A 11 6.622 -9.197 -8.745 1.00 0.00 N ATOM 157 CA ALA A 11 5.591 -8.710 -9.646 1.00 0.00 C ATOM 158 C ALA A 11 5.916 -7.309 -10.118 1.00 0.00 C ATOM 159 O ALA A 11 5.718 -6.964 -11.280 1.00 0.00 O ATOM 160 CB ALA A 11 4.225 -8.760 -8.981 1.00 0.00 C ATOM 0 H ALA A 11 6.311 -9.349 -7.785 1.00 0.00 H new ATOM 0 HA ALA A 11 5.561 -9.363 -10.519 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.469 -8.391 -9.674 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.992 -9.788 -8.705 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.233 -8.137 -8.087 1.00 0.00 H new ATOM 166 N MET A 12 6.424 -6.518 -9.198 1.00 0.00 N ATOM 167 CA MET A 12 6.804 -5.136 -9.487 1.00 0.00 C ATOM 168 C MET A 12 7.804 -5.094 -10.632 1.00 0.00 C ATOM 169 O MET A 12 7.610 -4.380 -11.616 1.00 0.00 O ATOM 170 CB MET A 12 7.430 -4.464 -8.264 1.00 0.00 C ATOM 171 CG MET A 12 6.706 -4.738 -6.960 1.00 0.00 C ATOM 172 SD MET A 12 5.109 -3.914 -6.866 1.00 0.00 S ATOM 173 CE MET A 12 5.623 -2.207 -6.994 1.00 0.00 C ATOM 0 H MET A 12 6.588 -6.804 -8.233 1.00 0.00 H new ATOM 0 HA MET A 12 5.897 -4.598 -9.762 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.463 -4.799 -8.169 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.458 -3.387 -8.431 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.563 -5.813 -6.847 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.329 -4.410 -6.128 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.782 -1.555 -6.758 1.00 0.00 H new ATOM 0 HE2 MET A 12 6.436 -2.018 -6.293 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.965 -2.005 -8.009 1.00 0.00 H new ATOM 183 N LYS A 13 8.876 -5.871 -10.490 1.00 0.00 N ATOM 184 CA LYS A 13 9.912 -5.934 -11.509 1.00 0.00 C ATOM 185 C LYS A 13 9.291 -6.248 -12.858 1.00 0.00 C ATOM 186 O LYS A 13 9.648 -5.655 -13.877 1.00 0.00 O ATOM 187 CB LYS A 13 10.954 -6.993 -11.149 1.00 0.00 C ATOM 188 CG LYS A 13 12.208 -6.929 -12.006 1.00 0.00 C ATOM 189 CD LYS A 13 13.462 -7.153 -11.177 1.00 0.00 C ATOM 190 CE LYS A 13 14.500 -7.957 -11.942 1.00 0.00 C ATOM 191 NZ LYS A 13 15.858 -7.354 -11.838 1.00 0.00 N ATOM 0 H LYS A 13 9.046 -6.464 -9.678 1.00 0.00 H new ATOM 0 HA LYS A 13 10.409 -4.966 -11.563 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.233 -6.875 -10.102 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.505 -7.981 -11.250 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.151 -7.682 -12.792 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.265 -5.958 -12.498 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.886 -6.191 -10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.202 -7.675 -10.256 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.525 -8.976 -11.557 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.210 -8.019 -12.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.537 -7.932 -12.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.841 -6.390 -12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 16.146 -7.318 -10.839 1.00 0.00 H new ATOM 205 N ARG A 14 8.347 -7.183 -12.854 1.00 0.00 N ATOM 206 CA ARG A 14 7.663 -7.574 -14.071 1.00 0.00 C ATOM 207 C ARG A 14 6.838 -6.411 -14.597 1.00 0.00 C ATOM 208 O ARG A 14 6.786 -6.168 -15.802 1.00 0.00 O ATOM 209 CB ARG A 14 6.762 -8.784 -13.815 1.00 0.00 C ATOM 210 CG ARG A 14 7.039 -9.955 -14.744 1.00 0.00 C ATOM 211 CD ARG A 14 5.750 -10.618 -15.203 1.00 0.00 C ATOM 212 NE ARG A 14 4.920 -9.713 -15.994 1.00 0.00 N ATOM 213 CZ ARG A 14 3.689 -9.350 -15.647 1.00 0.00 C ATOM 214 NH1 ARG A 14 3.146 -9.814 -14.529 1.00 0.00 N ATOM 215 NH2 ARG A 14 2.998 -8.523 -16.420 1.00 0.00 N ATOM 0 H ARG A 14 8.041 -7.682 -12.018 1.00 0.00 H new ATOM 0 HA ARG A 14 8.408 -7.850 -14.817 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.891 -9.111 -12.783 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.721 -8.481 -13.926 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.600 -9.608 -15.612 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.664 -10.687 -14.232 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.988 -11.502 -15.795 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.188 -10.958 -14.333 1.00 0.00 H new ATOM 0 HE ARG A 14 5.306 -9.339 -16.861 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.673 -10.451 -13.932 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.201 -9.533 -14.266 1.00 0.00 H new ATOM 0 HH21 ARG A 14 3.411 -8.165 -17.281 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.054 -8.245 -16.153 1.00 0.00 H new ATOM 229 N HIS A 15 6.166 -5.714 -13.685 1.00 0.00 N ATOM 230 CA HIS A 15 5.310 -4.598 -14.048 1.00 0.00 C ATOM 231 C HIS A 15 6.111 -3.347 -14.384 1.00 0.00 C ATOM 232 O HIS A 15 5.545 -2.364 -14.862 1.00 0.00 O ATOM 233 CB HIS A 15 4.356 -4.291 -12.896 1.00 0.00 C ATOM 234 CG HIS A 15 3.251 -5.287 -12.737 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.383 -5.277 -11.667 1.00 0.00 N ATOM 236 CD2 HIS A 15 2.870 -6.328 -13.518 1.00 0.00 C ATOM 237 CE1 HIS A 15 1.519 -6.266 -11.793 1.00 0.00 C ATOM 238 NE2 HIS A 15 1.791 -6.919 -12.907 1.00 0.00 N ATOM 0 H HIS A 15 6.201 -5.907 -12.684 1.00 0.00 H new ATOM 0 HA HIS A 15 4.752 -4.887 -14.939 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.926 -4.246 -11.968 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.921 -3.304 -13.052 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.329 -6.635 -14.446 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.724 -6.501 -11.101 1.00 0.00 H new ATOM 0 HE2 HIS A 15 1.283 -7.731 -13.257 1.00 0.00 H new ATOM 247 N GLY A 16 7.427 -3.382 -14.185 1.00 0.00 N ATOM 248 CA GLY A 16 8.246 -2.239 -14.533 1.00 0.00 C ATOM 249 C GLY A 16 8.262 -1.122 -13.507 1.00 0.00 C ATOM 250 O GLY A 16 8.554 0.019 -13.864 1.00 0.00 O ATOM 0 H GLY A 16 7.934 -4.175 -13.792 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.269 -2.580 -14.692 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.894 -1.835 -15.482 1.00 0.00 H new ATOM 254 N LEU A 17 7.955 -1.406 -12.240 1.00 0.00 N ATOM 255 CA LEU A 17 7.963 -0.344 -11.244 1.00 0.00 C ATOM 256 C LEU A 17 9.376 -0.054 -10.779 1.00 0.00 C ATOM 257 O LEU A 17 9.648 0.973 -10.165 1.00 0.00 O ATOM 258 CB LEU A 17 7.065 -0.684 -10.052 1.00 0.00 C ATOM 259 CG LEU A 17 5.697 -1.298 -10.384 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.623 -0.708 -9.486 1.00 0.00 C ATOM 261 CD2 LEU A 17 5.312 -1.085 -11.844 1.00 0.00 C ATOM 0 H LEU A 17 7.706 -2.332 -11.891 1.00 0.00 H new ATOM 0 HA LEU A 17 7.562 0.552 -11.717 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.603 -1.377 -9.405 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.901 0.227 -9.477 1.00 0.00 H new ATOM 0 HG LEU A 17 5.776 -2.371 -10.210 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.659 -1.152 -9.732 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.864 -0.918 -8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.575 0.370 -9.637 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.338 -1.536 -12.033 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.265 -0.017 -12.056 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.058 -1.550 -12.489 1.00 0.00 H new ATOM 273 N ASP A 18 10.276 -0.955 -11.105 1.00 0.00 N ATOM 274 CA ASP A 18 11.679 -0.792 -10.747 1.00 0.00 C ATOM 275 C ASP A 18 12.295 0.310 -11.599 1.00 0.00 C ATOM 276 O ASP A 18 12.769 0.058 -12.708 1.00 0.00 O ATOM 277 CB ASP A 18 12.441 -2.108 -10.929 1.00 0.00 C ATOM 278 CG ASP A 18 13.940 -1.904 -11.042 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.530 -1.307 -10.117 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.523 -2.341 -12.056 1.00 0.00 O ATOM 0 H ASP A 18 10.067 -1.811 -11.618 1.00 0.00 H new ATOM 0 HA ASP A 18 11.748 -0.510 -9.696 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.230 -2.765 -10.085 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.078 -2.613 -11.824 1.00 0.00 H new ATOM 285 N ASN A 19 12.235 1.538 -11.079 1.00 0.00 N ATOM 286 CA ASN A 19 12.738 2.723 -11.778 1.00 0.00 C ATOM 287 C ASN A 19 11.668 3.251 -12.733 1.00 0.00 C ATOM 288 O ASN A 19 11.963 3.673 -13.851 1.00 0.00 O ATOM 289 CB ASN A 19 14.034 2.423 -12.539 1.00 0.00 C ATOM 290 CG ASN A 19 15.103 3.470 -12.297 1.00 0.00 C ATOM 291 OD1 ASN A 19 16.006 3.275 -11.482 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.007 4.590 -13.004 1.00 0.00 N ATOM 0 H ASN A 19 11.837 1.739 -10.162 1.00 0.00 H new ATOM 0 HA ASN A 19 12.967 3.485 -11.033 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.411 1.446 -12.237 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.820 2.366 -13.606 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.698 5.331 -12.883 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.242 4.710 -13.668 1.00 0.00 H new ATOM 299 N TYR A 20 10.419 3.206 -12.272 1.00 0.00 N ATOM 300 CA TYR A 20 9.279 3.660 -13.071 1.00 0.00 C ATOM 301 C TYR A 20 8.997 5.131 -12.814 1.00 0.00 C ATOM 302 O TYR A 20 8.821 5.546 -11.669 1.00 0.00 O ATOM 303 CB TYR A 20 8.037 2.827 -12.764 1.00 0.00 C ATOM 304 CG TYR A 20 6.918 3.024 -13.763 1.00 0.00 C ATOM 305 CD1 TYR A 20 6.919 2.347 -14.976 1.00 0.00 C ATOM 306 CD2 TYR A 20 5.865 3.888 -13.494 1.00 0.00 C ATOM 307 CE1 TYR A 20 5.900 2.527 -15.893 1.00 0.00 C ATOM 308 CE2 TYR A 20 4.843 4.072 -14.405 1.00 0.00 C ATOM 309 CZ TYR A 20 4.866 3.390 -15.603 1.00 0.00 C ATOM 310 OH TYR A 20 3.850 3.571 -16.513 1.00 0.00 O ATOM 0 H TYR A 20 10.169 2.859 -11.346 1.00 0.00 H new ATOM 0 HA TYR A 20 9.532 3.531 -14.123 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.312 1.773 -12.742 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.674 3.083 -11.768 1.00 0.00 H new ATOM 0 HD1 TYR A 20 7.728 1.670 -15.206 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.845 4.425 -12.557 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.915 1.994 -16.832 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.030 4.747 -14.180 1.00 0.00 H new ATOM 0 HH TYR A 20 4.125 3.218 -17.385 1.00 0.00 H new ATOM 320 N ARG A 21 8.983 5.923 -13.884 1.00 0.00 N ATOM 321 CA ARG A 21 8.762 7.355 -13.759 1.00 0.00 C ATOM 322 C ARG A 21 9.872 7.939 -12.902 1.00 0.00 C ATOM 323 O ARG A 21 9.772 9.047 -12.375 1.00 0.00 O ATOM 324 CB ARG A 21 7.394 7.650 -13.142 1.00 0.00 C ATOM 325 CG ARG A 21 6.435 8.337 -14.100 1.00 0.00 C ATOM 326 CD ARG A 21 6.882 9.756 -14.415 1.00 0.00 C ATOM 327 NE ARG A 21 6.331 10.236 -15.679 1.00 0.00 N ATOM 328 CZ ARG A 21 6.895 10.012 -16.863 1.00 0.00 C ATOM 329 NH1 ARG A 21 8.023 9.318 -16.943 1.00 0.00 N ATOM 330 NH2 ARG A 21 6.332 10.483 -17.967 1.00 0.00 N ATOM 0 H ARG A 21 9.122 5.596 -14.840 1.00 0.00 H new ATOM 0 HA ARG A 21 8.775 7.812 -14.748 1.00 0.00 H new ATOM 0 HB2 ARG A 21 6.948 6.715 -12.801 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.529 8.278 -12.262 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.368 7.762 -15.024 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.436 8.357 -13.664 1.00 0.00 H new ATOM 0 HD2 ARG A 21 6.572 10.421 -13.609 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.971 9.792 -14.457 1.00 0.00 H new ATOM 0 HE ARG A 21 5.465 10.774 -15.653 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.460 8.955 -16.096 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.454 9.148 -17.852 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.465 11.018 -17.909 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.765 10.311 -18.874 1.00 0.00 H new ATOM 344 N GLY A 22 10.938 7.156 -12.793 1.00 0.00 N ATOM 345 CA GLY A 22 12.092 7.555 -12.025 1.00 0.00 C ATOM 346 C GLY A 22 12.104 6.995 -10.614 1.00 0.00 C ATOM 347 O GLY A 22 12.994 7.333 -9.832 1.00 0.00 O ATOM 0 H GLY A 22 11.019 6.239 -13.232 1.00 0.00 H new ATOM 0 HA2 GLY A 22 12.994 7.230 -12.544 1.00 0.00 H new ATOM 0 HA3 GLY A 22 12.127 8.643 -11.976 1.00 0.00 H new ATOM 351 N TYR A 23 11.136 6.140 -10.263 1.00 0.00 N ATOM 352 CA TYR A 23 11.115 5.582 -8.923 1.00 0.00 C ATOM 353 C TYR A 23 11.463 4.104 -8.923 1.00 0.00 C ATOM 354 O TYR A 23 10.851 3.307 -9.625 1.00 0.00 O ATOM 355 CB TYR A 23 9.766 5.837 -8.258 1.00 0.00 C ATOM 356 CG TYR A 23 9.674 7.221 -7.657 1.00 0.00 C ATOM 357 CD1 TYR A 23 10.537 7.613 -6.640 1.00 0.00 C ATOM 358 CD2 TYR A 23 8.735 8.139 -8.110 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.466 8.879 -6.092 1.00 0.00 C ATOM 360 CE2 TYR A 23 8.658 9.407 -7.566 1.00 0.00 C ATOM 361 CZ TYR A 23 9.525 9.772 -6.558 1.00 0.00 C ATOM 362 OH TYR A 23 9.451 11.034 -6.015 1.00 0.00 O ATOM 0 H TYR A 23 10.381 5.831 -10.875 1.00 0.00 H new ATOM 0 HA TYR A 23 11.884 6.088 -8.339 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.971 5.709 -8.993 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.602 5.093 -7.478 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.275 6.916 -6.272 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.054 7.857 -8.900 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.144 9.168 -5.303 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.922 10.109 -7.929 1.00 0.00 H new ATOM 0 HH TYR A 23 8.823 11.030 -5.263 1.00 0.00 H new ATOM 372 N SER A 24 12.473 3.758 -8.132 1.00 0.00 N ATOM 373 CA SER A 24 12.939 2.385 -8.030 1.00 0.00 C ATOM 374 C SER A 24 11.996 1.540 -7.185 1.00 0.00 C ATOM 375 O SER A 24 11.164 2.060 -6.443 1.00 0.00 O ATOM 376 CB SER A 24 14.347 2.347 -7.435 1.00 0.00 C ATOM 377 OG SER A 24 14.374 2.943 -6.150 1.00 0.00 O ATOM 0 H SER A 24 12.987 4.418 -7.548 1.00 0.00 H new ATOM 0 HA SER A 24 12.961 1.965 -9.036 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.689 1.314 -7.367 1.00 0.00 H new ATOM 0 HB3 SER A 24 15.039 2.869 -8.096 1.00 0.00 H new ATOM 0 HG SER A 24 15.285 2.905 -5.791 1.00 0.00 H new ATOM 383 N LEU A 25 12.149 0.231 -7.320 1.00 0.00 N ATOM 384 CA LEU A 25 11.343 -0.744 -6.598 1.00 0.00 C ATOM 385 C LEU A 25 11.091 -0.342 -5.143 1.00 0.00 C ATOM 386 O LEU A 25 9.944 -0.262 -4.705 1.00 0.00 O ATOM 387 CB LEU A 25 12.051 -2.094 -6.644 1.00 0.00 C ATOM 388 CG LEU A 25 11.456 -3.099 -7.619 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.519 -4.078 -8.091 1.00 0.00 C ATOM 390 CD2 LEU A 25 10.298 -3.838 -6.971 1.00 0.00 C ATOM 0 H LEU A 25 12.842 -0.189 -7.939 1.00 0.00 H new ATOM 0 HA LEU A 25 10.369 -0.798 -7.083 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.096 -1.930 -6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.038 -2.529 -5.644 1.00 0.00 H new ATOM 0 HG LEU A 25 11.080 -2.559 -8.488 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.075 -4.789 -8.788 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.320 -3.533 -8.590 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.925 -4.615 -7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.881 -4.554 -7.679 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.653 -4.367 -6.087 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.527 -3.124 -6.681 1.00 0.00 H new ATOM 402 N GLY A 26 12.169 -0.125 -4.395 1.00 0.00 N ATOM 403 CA GLY A 26 12.060 0.232 -2.988 1.00 0.00 C ATOM 404 C GLY A 26 10.997 1.277 -2.691 1.00 0.00 C ATOM 405 O GLY A 26 10.311 1.193 -1.672 1.00 0.00 O ATOM 0 H GLY A 26 13.126 -0.191 -4.741 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.840 -0.667 -2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.025 0.603 -2.643 1.00 0.00 H new ATOM 409 N ASN A 27 10.866 2.268 -3.563 1.00 0.00 N ATOM 410 CA ASN A 27 9.887 3.336 -3.364 1.00 0.00 C ATOM 411 C ASN A 27 8.454 2.815 -3.469 1.00 0.00 C ATOM 412 O ASN A 27 7.552 3.313 -2.797 1.00 0.00 O ATOM 413 CB ASN A 27 10.108 4.454 -4.383 1.00 0.00 C ATOM 414 CG ASN A 27 11.546 4.934 -4.409 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.133 5.232 -3.368 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.122 5.013 -5.602 1.00 0.00 N ATOM 0 H ASN A 27 11.422 2.357 -4.413 1.00 0.00 H new ATOM 0 HA ASN A 27 10.030 3.729 -2.357 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.828 4.099 -5.375 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.452 5.292 -4.147 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.088 5.331 -5.682 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.599 4.756 -6.439 1.00 0.00 H new ATOM 423 N TRP A 28 8.254 1.818 -4.322 1.00 0.00 N ATOM 424 CA TRP A 28 6.935 1.231 -4.531 1.00 0.00 C ATOM 425 C TRP A 28 6.542 0.298 -3.398 1.00 0.00 C ATOM 426 O TRP A 28 5.369 0.222 -3.033 1.00 0.00 O ATOM 427 CB TRP A 28 6.902 0.506 -5.868 1.00 0.00 C ATOM 428 CG TRP A 28 7.307 1.410 -6.979 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.532 1.492 -7.555 1.00 0.00 C ATOM 430 CD2 TRP A 28 6.489 2.391 -7.621 1.00 0.00 C ATOM 431 NE1 TRP A 28 8.538 2.475 -8.510 1.00 0.00 N ATOM 432 CE2 TRP A 28 7.294 3.041 -8.575 1.00 0.00 C ATOM 433 CE3 TRP A 28 5.156 2.778 -7.478 1.00 0.00 C ATOM 434 CZ2 TRP A 28 6.815 4.067 -9.386 1.00 0.00 C ATOM 435 CZ3 TRP A 28 4.666 3.789 -8.278 1.00 0.00 C ATOM 436 CH2 TRP A 28 5.494 4.430 -9.225 1.00 0.00 C ATOM 0 H TRP A 28 8.993 1.396 -4.884 1.00 0.00 H new ATOM 0 HA TRP A 28 6.203 2.039 -4.543 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.569 -0.355 -5.834 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.898 0.124 -6.053 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.379 0.873 -7.299 1.00 0.00 H new ATOM 0 HE1 TRP A 28 9.340 2.742 -9.080 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.519 2.294 -6.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.450 4.557 -10.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.635 4.094 -8.179 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.085 5.221 -9.836 1.00 0.00 H new ATOM 447 N VAL A 29 7.513 -0.412 -2.833 1.00 0.00 N ATOM 448 CA VAL A 29 7.233 -1.328 -1.739 1.00 0.00 C ATOM 449 C VAL A 29 6.935 -0.568 -0.456 1.00 0.00 C ATOM 450 O VAL A 29 5.938 -0.832 0.211 1.00 0.00 O ATOM 451 CB VAL A 29 8.414 -2.289 -1.501 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.163 -3.167 -0.283 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.666 -3.137 -2.738 1.00 0.00 C ATOM 0 H VAL A 29 8.493 -0.370 -3.113 1.00 0.00 H new ATOM 0 HA VAL A 29 6.356 -1.910 -2.022 1.00 0.00 H new ATOM 0 HB VAL A 29 9.306 -1.694 -1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.011 -3.836 -0.136 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.040 -2.539 0.599 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.259 -3.755 -0.439 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.503 -3.810 -2.553 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.774 -3.721 -2.967 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.901 -2.489 -3.582 1.00 0.00 H new ATOM 463 N CYS A 30 7.806 0.371 -0.113 1.00 0.00 N ATOM 464 CA CYS A 30 7.629 1.163 1.095 1.00 0.00 C ATOM 465 C CYS A 30 6.316 1.938 1.052 1.00 0.00 C ATOM 466 O CYS A 30 5.564 1.952 2.027 1.00 0.00 O ATOM 467 CB CYS A 30 8.801 2.129 1.274 1.00 0.00 C ATOM 468 SG CYS A 30 8.918 2.847 2.943 1.00 0.00 S ATOM 0 H CYS A 30 8.640 0.602 -0.653 1.00 0.00 H new ATOM 0 HA CYS A 30 7.598 0.481 1.944 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.729 1.604 1.049 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.708 2.936 0.548 1.00 0.00 H new ATOM 473 N ALA A 31 6.045 2.586 -0.079 1.00 0.00 N ATOM 474 CA ALA A 31 4.826 3.366 -0.237 1.00 0.00 C ATOM 475 C ALA A 31 3.589 2.490 -0.100 1.00 0.00 C ATOM 476 O ALA A 31 2.639 2.849 0.591 1.00 0.00 O ATOM 477 CB ALA A 31 4.824 4.070 -1.585 1.00 0.00 C ATOM 0 H ALA A 31 6.654 2.585 -0.897 1.00 0.00 H new ATOM 0 HA ALA A 31 4.799 4.113 0.556 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.907 4.650 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.684 4.736 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.879 3.329 -2.383 1.00 0.00 H new ATOM 483 N ALA A 32 3.607 1.341 -0.766 1.00 0.00 N ATOM 484 CA ALA A 32 2.483 0.415 -0.725 1.00 0.00 C ATOM 485 C ALA A 32 2.312 -0.196 0.663 1.00 0.00 C ATOM 486 O ALA A 32 1.193 -0.327 1.156 1.00 0.00 O ATOM 487 CB ALA A 32 2.664 -0.677 -1.767 1.00 0.00 C ATOM 0 H ALA A 32 4.389 1.029 -1.341 1.00 0.00 H new ATOM 0 HA ALA A 32 1.577 0.977 -0.953 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.818 -1.363 -1.726 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.720 -0.228 -2.759 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.584 -1.224 -1.564 1.00 0.00 H new ATOM 493 N LYS A 33 3.424 -0.582 1.284 1.00 0.00 N ATOM 494 CA LYS A 33 3.396 -1.194 2.609 1.00 0.00 C ATOM 495 C LYS A 33 2.597 -0.360 3.602 1.00 0.00 C ATOM 496 O LYS A 33 1.671 -0.854 4.236 1.00 0.00 O ATOM 497 CB LYS A 33 4.821 -1.384 3.131 1.00 0.00 C ATOM 498 CG LYS A 33 4.907 -2.297 4.343 1.00 0.00 C ATOM 499 CD LYS A 33 6.273 -2.954 4.450 1.00 0.00 C ATOM 500 CE LYS A 33 7.121 -2.307 5.533 1.00 0.00 C ATOM 501 NZ LYS A 33 6.553 -2.530 6.891 1.00 0.00 N ATOM 0 H LYS A 33 4.359 -0.481 0.889 1.00 0.00 H new ATOM 0 HA LYS A 33 2.906 -2.163 2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.440 -1.794 2.333 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.237 -0.410 3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.707 -1.723 5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.137 -3.065 4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.151 -4.015 4.668 1.00 0.00 H new ATOM 0 HD3 LYS A 33 6.788 -2.882 3.492 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.132 -2.711 5.492 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.198 -1.236 5.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.315 -2.486 7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.847 -1.795 7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.100 -3.465 6.928 1.00 0.00 H new ATOM 515 N PHE A 34 2.973 0.898 3.761 1.00 0.00 N ATOM 516 CA PHE A 34 2.285 1.763 4.706 1.00 0.00 C ATOM 517 C PHE A 34 0.938 2.227 4.183 1.00 0.00 C ATOM 518 O PHE A 34 0.024 2.498 4.961 1.00 0.00 O ATOM 519 CB PHE A 34 3.154 2.948 5.076 1.00 0.00 C ATOM 520 CG PHE A 34 4.013 2.709 6.286 1.00 0.00 C ATOM 521 CD1 PHE A 34 3.491 2.853 7.562 1.00 0.00 C ATOM 522 CD2 PHE A 34 5.341 2.340 6.146 1.00 0.00 C ATOM 523 CE1 PHE A 34 4.278 2.632 8.676 1.00 0.00 C ATOM 524 CE2 PHE A 34 6.132 2.117 7.258 1.00 0.00 C ATOM 525 CZ PHE A 34 5.601 2.264 8.523 1.00 0.00 C ATOM 0 H PHE A 34 3.741 1.339 3.255 1.00 0.00 H new ATOM 0 HA PHE A 34 2.095 1.174 5.603 1.00 0.00 H new ATOM 0 HB2 PHE A 34 3.794 3.197 4.230 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.516 3.813 5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 34 2.458 3.141 7.687 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.763 2.225 5.158 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.860 2.747 9.665 1.00 0.00 H new ATOM 0 HE2 PHE A 34 7.165 1.828 7.136 1.00 0.00 H new ATOM 0 HZ PHE A 34 6.218 2.092 9.392 1.00 0.00 H new ATOM 535 N GLU A 35 0.813 2.326 2.870 1.00 0.00 N ATOM 536 CA GLU A 35 -0.429 2.764 2.255 1.00 0.00 C ATOM 537 C GLU A 35 -1.569 1.790 2.529 1.00 0.00 C ATOM 538 O GLU A 35 -2.639 2.184 2.993 1.00 0.00 O ATOM 539 CB GLU A 35 -0.232 2.896 0.745 1.00 0.00 C ATOM 540 CG GLU A 35 -0.001 4.324 0.280 1.00 0.00 C ATOM 541 CD GLU A 35 0.619 4.390 -1.102 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.083 4.069 -2.083 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.807 4.762 -1.202 1.00 0.00 O ATOM 0 H GLU A 35 1.558 2.108 2.208 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.695 3.728 2.689 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.618 2.284 0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.109 2.496 0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.950 4.859 0.275 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.649 4.834 0.991 1.00 0.00 H new ATOM 550 N SER A 36 -1.350 0.527 2.182 1.00 0.00 N ATOM 551 CA SER A 36 -2.386 -0.493 2.334 1.00 0.00 C ATOM 552 C SER A 36 -1.863 -1.783 2.958 1.00 0.00 C ATOM 553 O SER A 36 -2.607 -2.756 3.080 1.00 0.00 O ATOM 554 CB SER A 36 -2.981 -0.810 0.959 1.00 0.00 C ATOM 555 OG SER A 36 -1.974 -1.245 0.062 1.00 0.00 O ATOM 0 H SER A 36 -0.471 0.184 1.796 1.00 0.00 H new ATOM 0 HA SER A 36 -3.141 -0.089 3.009 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.744 -1.582 1.057 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.473 0.076 0.558 1.00 0.00 H new ATOM 0 HG SER A 36 -1.707 -0.500 -0.517 1.00 0.00 H new ATOM 561 N ASN A 37 -0.590 -1.805 3.331 1.00 0.00 N ATOM 562 CA ASN A 37 0.002 -3.006 3.914 1.00 0.00 C ATOM 563 C ASN A 37 -0.075 -4.150 2.913 1.00 0.00 C ATOM 564 O ASN A 37 -0.130 -5.314 3.288 1.00 0.00 O ATOM 565 CB ASN A 37 -0.713 -3.386 5.213 1.00 0.00 C ATOM 566 CG ASN A 37 0.187 -4.147 6.167 1.00 0.00 C ATOM 567 OD1 ASN A 37 1.260 -3.671 6.539 1.00 0.00 O ATOM 568 ND2 ASN A 37 -0.246 -5.337 6.568 1.00 0.00 N ATOM 0 H ASN A 37 0.048 -1.015 3.242 1.00 0.00 H new ATOM 0 HA ASN A 37 1.047 -2.805 4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.075 -2.482 5.703 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.587 -3.994 4.979 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.317 -5.895 7.210 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -1.142 -5.693 6.234 1.00 0.00 H new ATOM 575 N PHE A 38 -0.072 -3.778 1.635 1.00 0.00 N ATOM 576 CA PHE A 38 -0.138 -4.708 0.517 1.00 0.00 C ATOM 577 C PHE A 38 -1.480 -5.417 0.467 1.00 0.00 C ATOM 578 O PHE A 38 -1.610 -6.471 -0.145 1.00 0.00 O ATOM 579 CB PHE A 38 1.021 -5.707 0.563 1.00 0.00 C ATOM 580 CG PHE A 38 2.363 -5.039 0.654 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.735 -4.083 -0.277 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.247 -5.357 1.673 1.00 0.00 C ATOM 583 CE1 PHE A 38 3.962 -3.457 -0.197 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.477 -4.733 1.758 1.00 0.00 C ATOM 585 CZ PHE A 38 4.836 -3.783 0.821 1.00 0.00 C ATOM 0 H PHE A 38 -0.023 -2.801 1.345 1.00 0.00 H new ATOM 0 HA PHE A 38 -0.040 -4.131 -0.402 1.00 0.00 H new ATOM 0 HB2 PHE A 38 0.891 -6.368 1.420 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.991 -6.332 -0.329 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.056 -3.824 -1.076 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.972 -6.099 2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.238 -2.713 -0.930 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.158 -4.988 2.557 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.798 -3.297 0.885 1.00 0.00 H new ATOM 595 N ASN A 39 -2.494 -4.814 1.077 1.00 0.00 N ATOM 596 CA ASN A 39 -3.829 -5.392 1.061 1.00 0.00 C ATOM 597 C ASN A 39 -4.495 -5.073 -0.268 1.00 0.00 C ATOM 598 O ASN A 39 -4.725 -3.910 -0.600 1.00 0.00 O ATOM 599 CB ASN A 39 -4.663 -4.867 2.230 1.00 0.00 C ATOM 600 CG ASN A 39 -6.050 -5.479 2.276 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.327 -6.471 1.601 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.931 -4.890 3.077 1.00 0.00 N ATOM 0 H ASN A 39 -2.417 -3.932 1.584 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.754 -6.474 1.173 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.145 -5.079 3.165 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.750 -3.783 2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.879 -5.258 3.150 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.659 -4.070 3.619 1.00 0.00 H new ATOM 609 N THR A 40 -4.757 -6.114 -1.040 1.00 0.00 N ATOM 610 CA THR A 40 -5.342 -5.964 -2.358 1.00 0.00 C ATOM 611 C THR A 40 -6.738 -5.390 -2.255 1.00 0.00 C ATOM 612 O THR A 40 -7.294 -4.881 -3.226 1.00 0.00 O ATOM 613 CB THR A 40 -5.407 -7.316 -3.095 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.669 -7.950 -2.852 1.00 0.00 O ATOM 615 CG2 THR A 40 -4.290 -8.241 -2.639 1.00 0.00 C ATOM 0 H THR A 40 -4.571 -7.080 -0.772 1.00 0.00 H new ATOM 0 HA THR A 40 -4.706 -5.283 -2.923 1.00 0.00 H new ATOM 0 HB THR A 40 -5.290 -7.121 -4.161 1.00 0.00 H new ATOM 0 HG1 THR A 40 -7.327 -7.628 -3.503 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.360 -9.188 -3.175 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.326 -7.777 -2.846 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.382 -8.423 -1.568 1.00 0.00 H new ATOM 623 N GLN A 41 -7.304 -5.508 -1.069 1.00 0.00 N ATOM 624 CA GLN A 41 -8.648 -5.044 -0.807 1.00 0.00 C ATOM 625 C GLN A 41 -8.680 -3.849 0.149 1.00 0.00 C ATOM 626 O GLN A 41 -9.754 -3.395 0.544 1.00 0.00 O ATOM 627 CB GLN A 41 -9.437 -6.205 -0.221 1.00 0.00 C ATOM 628 CG GLN A 41 -10.193 -7.022 -1.255 1.00 0.00 C ATOM 629 CD GLN A 41 -11.620 -6.545 -1.445 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.882 -5.344 -1.505 1.00 0.00 O ATOM 631 NE2 GLN A 41 -12.550 -7.487 -1.541 1.00 0.00 N ATOM 0 H GLN A 41 -6.843 -5.928 -0.262 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.089 -4.701 -1.743 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.753 -6.862 0.316 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -10.146 -5.817 0.510 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.667 -6.971 -2.208 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.201 -8.069 -0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.287 -8.471 -1.486 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.528 -7.227 -1.670 1.00 0.00 H new ATOM 640 N ALA A 42 -7.507 -3.359 0.539 1.00 0.00 N ATOM 641 CA ALA A 42 -7.417 -2.236 1.471 1.00 0.00 C ATOM 642 C ALA A 42 -8.067 -0.964 0.936 1.00 0.00 C ATOM 643 O ALA A 42 -7.719 -0.470 -0.140 1.00 0.00 O ATOM 644 CB ALA A 42 -5.969 -1.954 1.822 1.00 0.00 C ATOM 0 H ALA A 42 -6.606 -3.720 0.226 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.968 -2.533 2.363 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.920 -1.115 2.517 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.529 -2.836 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.416 -1.707 0.915 1.00 0.00 H new ATOM 650 N THR A 43 -8.994 -0.428 1.724 1.00 0.00 N ATOM 651 CA THR A 43 -9.695 0.803 1.388 1.00 0.00 C ATOM 652 C THR A 43 -9.497 1.820 2.510 1.00 0.00 C ATOM 653 O THR A 43 -9.655 1.486 3.685 1.00 0.00 O ATOM 654 CB THR A 43 -11.203 0.558 1.192 1.00 0.00 C ATOM 655 OG1 THR A 43 -11.881 0.632 2.453 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.455 -0.800 0.557 1.00 0.00 C ATOM 0 H THR A 43 -9.279 -0.837 2.614 1.00 0.00 H new ATOM 0 HA THR A 43 -9.284 1.181 0.452 1.00 0.00 H new ATOM 0 HB THR A 43 -11.588 1.330 0.526 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.225 0.591 3.180 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.527 -0.949 0.429 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.964 -0.844 -0.415 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.054 -1.583 1.201 1.00 0.00 H new ATOM 664 N ASN A 44 -9.141 3.053 2.162 1.00 0.00 N ATOM 665 CA ASN A 44 -8.918 4.085 3.172 1.00 0.00 C ATOM 666 C ASN A 44 -9.767 5.321 2.902 1.00 0.00 C ATOM 667 O ASN A 44 -9.472 6.106 2.001 1.00 0.00 O ATOM 668 CB ASN A 44 -7.437 4.472 3.214 1.00 0.00 C ATOM 669 CG ASN A 44 -6.981 4.859 4.607 1.00 0.00 C ATOM 670 OD1 ASN A 44 -7.628 5.659 5.285 1.00 0.00 O ATOM 671 ND2 ASN A 44 -5.860 4.294 5.042 1.00 0.00 N ATOM 0 H ASN A 44 -9.002 3.361 1.200 1.00 0.00 H new ATOM 0 HA ASN A 44 -9.213 3.674 4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.835 3.636 2.857 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.262 5.305 2.533 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.503 4.518 5.971 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.356 3.637 4.447 1.00 0.00 H new ATOM 678 N ARG A 45 -10.823 5.490 3.693 1.00 0.00 N ATOM 679 CA ARG A 45 -11.718 6.633 3.544 1.00 0.00 C ATOM 680 C ARG A 45 -11.160 7.860 4.258 1.00 0.00 C ATOM 681 O ARG A 45 -10.863 7.815 5.452 1.00 0.00 O ATOM 682 CB ARG A 45 -13.105 6.295 4.093 1.00 0.00 C ATOM 683 CG ARG A 45 -13.677 4.997 3.548 1.00 0.00 C ATOM 684 CD ARG A 45 -14.828 4.493 4.404 1.00 0.00 C ATOM 685 NE ARG A 45 -14.391 3.498 5.378 1.00 0.00 N ATOM 686 CZ ARG A 45 -15.153 2.494 5.803 1.00 0.00 C ATOM 687 NH1 ARG A 45 -16.387 2.352 5.337 1.00 0.00 N ATOM 688 NH2 ARG A 45 -14.682 1.631 6.692 1.00 0.00 N ATOM 0 H ARG A 45 -11.080 4.849 4.444 1.00 0.00 H new ATOM 0 HA ARG A 45 -11.801 6.862 2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -13.050 6.230 5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -13.788 7.111 3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -14.023 5.151 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.893 4.241 3.509 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.287 5.333 4.925 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.594 4.059 3.762 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.446 3.577 5.755 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.753 3.013 4.652 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.970 1.582 5.664 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -13.733 1.736 7.052 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.268 0.862 7.016 1.00 0.00 H new ATOM 702 N ASN A 46 -11.023 8.955 3.517 1.00 0.00 N ATOM 703 CA ASN A 46 -10.501 10.198 4.077 1.00 0.00 C ATOM 704 C ASN A 46 -11.632 11.176 4.378 1.00 0.00 C ATOM 705 O ASN A 46 -12.797 10.906 4.086 1.00 0.00 O ATOM 706 CB ASN A 46 -9.502 10.837 3.113 1.00 0.00 C ATOM 707 CG ASN A 46 -8.647 9.809 2.398 1.00 0.00 C ATOM 708 OD1 ASN A 46 -7.923 9.040 3.030 1.00 0.00 O ATOM 709 ND2 ASN A 46 -8.727 9.791 1.073 1.00 0.00 N ATOM 0 H ASN A 46 -11.266 9.008 2.528 1.00 0.00 H new ATOM 0 HA ASN A 46 -9.992 9.960 5.011 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.042 11.431 2.376 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.857 11.522 3.664 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.175 9.121 0.538 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.341 10.447 0.590 1.00 0.00 H new ATOM 716 N THR A 47 -11.275 12.312 4.967 1.00 0.00 N ATOM 717 CA THR A 47 -12.255 13.335 5.315 1.00 0.00 C ATOM 718 C THR A 47 -12.566 14.234 4.123 1.00 0.00 C ATOM 719 O THR A 47 -13.595 14.909 4.095 1.00 0.00 O ATOM 720 CB THR A 47 -11.763 14.207 6.485 1.00 0.00 C ATOM 721 OG1 THR A 47 -10.558 14.889 6.116 1.00 0.00 O ATOM 722 CG2 THR A 47 -11.510 13.360 7.723 1.00 0.00 C ATOM 0 H THR A 47 -10.314 12.548 5.214 1.00 0.00 H new ATOM 0 HA THR A 47 -13.163 12.811 5.615 1.00 0.00 H new ATOM 0 HB THR A 47 -12.539 14.937 6.715 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.253 15.443 6.865 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.163 13.998 8.536 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.434 12.864 8.020 1.00 0.00 H new ATOM 0 HG23 THR A 47 -10.751 12.610 7.502 1.00 0.00 H new ATOM 730 N ASP A 48 -11.670 14.241 3.141 1.00 0.00 N ATOM 731 CA ASP A 48 -11.852 15.061 1.947 1.00 0.00 C ATOM 732 C ASP A 48 -12.931 14.474 1.041 1.00 0.00 C ATOM 733 O ASP A 48 -13.306 15.079 0.036 1.00 0.00 O ATOM 734 CB ASP A 48 -10.534 15.185 1.181 1.00 0.00 C ATOM 735 CG ASP A 48 -9.866 13.843 0.954 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.562 12.811 1.044 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.646 13.826 0.687 1.00 0.00 O ATOM 0 H ASP A 48 -10.812 13.689 3.148 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.173 16.053 2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.720 15.662 0.219 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.856 15.836 1.733 1.00 0.00 H new ATOM 742 N GLY A 49 -13.426 13.296 1.405 1.00 0.00 N ATOM 743 CA GLY A 49 -14.461 12.649 0.618 1.00 0.00 C ATOM 744 C GLY A 49 -13.926 11.521 -0.242 1.00 0.00 C ATOM 745 O GLY A 49 -14.637 10.556 -0.521 1.00 0.00 O ATOM 0 H GLY A 49 -13.129 12.777 2.231 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.228 12.258 1.286 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.942 13.390 -0.021 1.00 0.00 H new ATOM 749 N SER A 50 -12.671 11.640 -0.667 1.00 0.00 N ATOM 750 CA SER A 50 -12.052 10.618 -1.501 1.00 0.00 C ATOM 751 C SER A 50 -11.672 9.396 -0.672 1.00 0.00 C ATOM 752 O SER A 50 -11.775 9.409 0.555 1.00 0.00 O ATOM 753 CB SER A 50 -10.817 11.173 -2.213 1.00 0.00 C ATOM 754 OG SER A 50 -10.184 12.175 -1.437 1.00 0.00 O ATOM 0 H SER A 50 -12.066 12.431 -0.448 1.00 0.00 H new ATOM 0 HA SER A 50 -12.781 10.315 -2.252 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.114 10.364 -2.410 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.106 11.586 -3.179 1.00 0.00 H new ATOM 0 HG SER A 50 -10.243 11.940 -0.488 1.00 0.00 H new ATOM 760 N THR A 51 -11.240 8.340 -1.352 1.00 0.00 N ATOM 761 CA THR A 51 -10.854 7.104 -0.681 1.00 0.00 C ATOM 762 C THR A 51 -9.638 6.468 -1.347 1.00 0.00 C ATOM 763 O THR A 51 -9.207 6.898 -2.416 1.00 0.00 O ATOM 764 CB THR A 51 -12.013 6.091 -0.680 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.265 6.780 -0.592 1.00 0.00 O ATOM 766 CG2 THR A 51 -11.885 5.115 0.479 1.00 0.00 C ATOM 0 H THR A 51 -11.148 8.315 -2.368 1.00 0.00 H new ATOM 0 HA THR A 51 -10.601 7.365 0.347 1.00 0.00 H new ATOM 0 HB THR A 51 -11.971 5.528 -1.612 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.998 6.148 -0.745 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.717 4.411 0.455 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.945 4.569 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 51 -11.901 5.664 1.420 1.00 0.00 H new ATOM 774 N ASP A 52 -9.089 5.441 -0.705 1.00 0.00 N ATOM 775 CA ASP A 52 -7.921 4.738 -1.227 1.00 0.00 C ATOM 776 C ASP A 52 -8.224 3.263 -1.422 1.00 0.00 C ATOM 777 O ASP A 52 -7.919 2.435 -0.564 1.00 0.00 O ATOM 778 CB ASP A 52 -6.733 4.911 -0.281 1.00 0.00 C ATOM 779 CG ASP A 52 -6.272 6.353 -0.189 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.006 6.959 -1.248 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.177 6.875 0.942 1.00 0.00 O ATOM 0 H ASP A 52 -9.436 5.076 0.182 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.667 5.168 -2.196 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.008 4.556 0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -5.906 4.289 -0.623 1.00 0.00 H new ATOM 786 N TYR A 53 -8.823 2.943 -2.561 1.00 0.00 N ATOM 787 CA TYR A 53 -9.164 1.567 -2.875 1.00 0.00 C ATOM 788 C TYR A 53 -8.082 0.917 -3.726 1.00 0.00 C ATOM 789 O TYR A 53 -8.200 0.864 -4.947 1.00 0.00 O ATOM 790 CB TYR A 53 -10.494 1.486 -3.629 1.00 0.00 C ATOM 791 CG TYR A 53 -11.662 2.156 -2.942 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.209 1.626 -1.782 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.231 3.309 -3.466 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.288 2.225 -1.161 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.308 3.916 -2.851 1.00 0.00 C ATOM 796 CZ TYR A 53 -13.835 3.370 -1.700 1.00 0.00 C ATOM 797 OH TYR A 53 -14.909 3.970 -1.085 1.00 0.00 O ATOM 0 H TYR A 53 -9.082 3.618 -3.280 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.251 1.036 -1.927 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.364 1.936 -4.613 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.740 0.436 -3.789 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.783 0.729 -1.357 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.824 3.738 -4.370 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.701 1.799 -0.259 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.736 4.815 -3.270 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.173 4.767 -1.591 1.00 0.00 H new ATOM 807 N GLY A 54 -7.011 0.445 -3.105 1.00 0.00 N ATOM 808 CA GLY A 54 -5.952 -0.181 -3.877 1.00 0.00 C ATOM 809 C GLY A 54 -4.686 -0.373 -3.074 1.00 0.00 C ATOM 810 O GLY A 54 -4.504 0.267 -2.037 1.00 0.00 O ATOM 0 H GLY A 54 -6.855 0.482 -2.098 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.297 -1.148 -4.243 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.734 0.431 -4.752 1.00 0.00 H new ATOM 814 N ILE A 55 -3.789 -1.229 -3.559 1.00 0.00 N ATOM 815 CA ILE A 55 -2.526 -1.454 -2.873 1.00 0.00 C ATOM 816 C ILE A 55 -1.704 -0.177 -2.950 1.00 0.00 C ATOM 817 O ILE A 55 -0.942 0.149 -2.041 1.00 0.00 O ATOM 818 CB ILE A 55 -1.730 -2.627 -3.485 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.534 -2.975 -2.598 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.271 -2.280 -4.890 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.066 -4.332 -2.899 1.00 0.00 C ATOM 0 H ILE A 55 -3.914 -1.771 -4.414 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.738 -1.719 -1.837 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.382 -3.499 -3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.234 -2.211 -2.721 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.846 -2.948 -1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.711 -3.117 -5.307 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.139 -2.076 -5.516 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.632 -1.397 -4.857 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.909 -4.513 -2.233 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.688 -5.105 -2.748 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.409 -4.357 -3.933 1.00 0.00 H new ATOM 833 N LEU A 56 -1.917 0.566 -4.035 1.00 0.00 N ATOM 834 CA LEU A 56 -1.252 1.843 -4.237 1.00 0.00 C ATOM 835 C LEU A 56 -2.254 2.959 -3.959 1.00 0.00 C ATOM 836 O LEU A 56 -1.986 4.126 -4.226 1.00 0.00 O ATOM 837 CB LEU A 56 -0.686 1.973 -5.667 1.00 0.00 C ATOM 838 CG LEU A 56 0.849 2.098 -5.775 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.421 2.850 -4.581 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.480 0.718 -5.886 1.00 0.00 C ATOM 0 H LEU A 56 -2.550 0.299 -4.789 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.407 1.914 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.002 1.103 -6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.136 2.847 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 56 1.084 2.667 -6.675 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.504 2.924 -4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.991 3.851 -4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.178 2.314 -3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.563 0.818 -5.962 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.231 0.132 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.099 0.214 -6.774 1.00 0.00 H new ATOM 852 N GLN A 57 -3.415 2.576 -3.404 1.00 0.00 N ATOM 853 CA GLN A 57 -4.480 3.522 -3.058 1.00 0.00 C ATOM 854 C GLN A 57 -5.147 4.126 -4.292 1.00 0.00 C ATOM 855 O GLN A 57 -4.867 5.270 -4.651 1.00 0.00 O ATOM 856 CB GLN A 57 -3.931 4.639 -2.167 1.00 0.00 C ATOM 857 CG GLN A 57 -3.069 4.136 -1.020 1.00 0.00 C ATOM 858 CD GLN A 57 -3.866 3.383 0.026 1.00 0.00 C ATOM 859 OE1 GLN A 57 -4.327 2.266 -0.212 1.00 0.00 O ATOM 860 NE2 GLN A 57 -4.032 3.991 1.196 1.00 0.00 N ATOM 0 H GLN A 57 -3.638 1.605 -3.185 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.240 2.959 -2.516 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.344 5.324 -2.778 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.765 5.210 -1.760 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.290 3.484 -1.416 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.568 4.982 -0.549 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.633 4.917 1.351 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.559 3.532 1.939 1.00 0.00 H new ATOM 869 N ILE A 58 -6.029 3.364 -4.950 1.00 0.00 N ATOM 870 CA ILE A 58 -6.700 3.867 -6.131 1.00 0.00 C ATOM 871 C ILE A 58 -7.916 4.678 -5.737 1.00 0.00 C ATOM 872 O ILE A 58 -8.987 4.127 -5.483 1.00 0.00 O ATOM 873 CB ILE A 58 -7.131 2.729 -7.077 1.00 0.00 C ATOM 874 CG1 ILE A 58 -6.086 1.608 -7.085 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.351 3.268 -8.483 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.704 2.064 -7.504 1.00 0.00 C ATOM 0 H ILE A 58 -6.285 2.414 -4.682 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.988 4.499 -6.662 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.071 2.314 -6.714 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.028 1.171 -6.088 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.418 0.819 -7.760 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.655 2.454 -9.141 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.131 4.029 -8.463 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.425 3.707 -8.853 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.020 1.216 -7.485 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.746 2.474 -8.513 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.350 2.831 -6.816 1.00 0.00 H new ATOM 888 N ASN A 59 -7.751 5.993 -5.698 1.00 0.00 N ATOM 889 CA ASN A 59 -8.846 6.873 -5.349 1.00 0.00 C ATOM 890 C ASN A 59 -9.937 6.744 -6.394 1.00 0.00 C ATOM 891 O ASN A 59 -9.830 7.305 -7.484 1.00 0.00 O ATOM 892 CB ASN A 59 -8.360 8.320 -5.264 1.00 0.00 C ATOM 893 CG ASN A 59 -9.472 9.288 -4.908 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.557 8.881 -4.493 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.207 10.579 -5.071 1.00 0.00 N ATOM 0 H ASN A 59 -6.872 6.468 -5.903 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.242 6.590 -4.373 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.569 8.391 -4.517 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -7.923 8.610 -6.220 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -9.917 11.277 -4.849 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.294 10.872 -5.418 1.00 0.00 H new ATOM 902 N SER A 60 -10.986 6.000 -6.069 1.00 0.00 N ATOM 903 CA SER A 60 -12.092 5.800 -6.998 1.00 0.00 C ATOM 904 C SER A 60 -12.837 7.099 -7.293 1.00 0.00 C ATOM 905 O SER A 60 -13.536 7.201 -8.301 1.00 0.00 O ATOM 906 CB SER A 60 -13.071 4.769 -6.431 1.00 0.00 C ATOM 907 OG SER A 60 -14.018 5.384 -5.573 1.00 0.00 O ATOM 0 H SER A 60 -11.095 5.526 -5.172 1.00 0.00 H new ATOM 0 HA SER A 60 -11.667 5.438 -7.934 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.588 4.266 -7.248 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.521 4.004 -5.883 1.00 0.00 H new ATOM 0 HG SER A 60 -14.529 4.693 -5.102 1.00 0.00 H new ATOM 913 N ARG A 61 -12.699 8.090 -6.419 1.00 0.00 N ATOM 914 CA ARG A 61 -13.379 9.365 -6.614 1.00 0.00 C ATOM 915 C ARG A 61 -12.523 10.321 -7.437 1.00 0.00 C ATOM 916 O ARG A 61 -12.737 11.534 -7.416 1.00 0.00 O ATOM 917 CB ARG A 61 -13.718 9.998 -5.263 1.00 0.00 C ATOM 918 CG ARG A 61 -14.968 10.861 -5.291 1.00 0.00 C ATOM 919 CD ARG A 61 -14.856 12.035 -4.333 1.00 0.00 C ATOM 920 NE ARG A 61 -14.666 13.301 -5.037 1.00 0.00 N ATOM 921 CZ ARG A 61 -15.554 14.289 -5.032 1.00 0.00 C ATOM 922 NH1 ARG A 61 -16.692 14.160 -4.362 1.00 0.00 N ATOM 923 NH2 ARG A 61 -15.307 15.409 -5.697 1.00 0.00 N ATOM 0 H ARG A 61 -12.128 8.036 -5.576 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.303 9.174 -7.160 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.849 9.208 -4.524 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.875 10.605 -4.934 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.134 11.230 -6.303 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.835 10.256 -5.027 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -15.757 12.092 -3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.020 11.869 -3.653 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.802 13.434 -5.562 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -16.887 13.300 -3.849 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -17.372 14.920 -4.360 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.434 15.513 -6.214 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -15.990 16.166 -5.692 1.00 0.00 H new ATOM 937 N TRP A 62 -11.553 9.771 -8.159 1.00 0.00 N ATOM 938 CA TRP A 62 -10.671 10.591 -8.984 1.00 0.00 C ATOM 939 C TRP A 62 -9.950 9.789 -10.072 1.00 0.00 C ATOM 940 O TRP A 62 -9.250 10.370 -10.900 1.00 0.00 O ATOM 941 CB TRP A 62 -9.639 11.298 -8.102 1.00 0.00 C ATOM 942 CG TRP A 62 -9.197 12.622 -8.648 1.00 0.00 C ATOM 943 CD1 TRP A 62 -8.036 12.887 -9.314 1.00 0.00 C ATOM 944 CD2 TRP A 62 -9.911 13.861 -8.574 1.00 0.00 C ATOM 945 NE1 TRP A 62 -7.984 14.217 -9.659 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.123 14.835 -9.216 1.00 0.00 C ATOM 947 CE3 TRP A 62 -11.141 14.242 -8.028 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -9.524 16.164 -9.325 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -11.538 15.562 -8.137 1.00 0.00 C ATOM 950 CH2 TRP A 62 -10.732 16.509 -8.781 1.00 0.00 C ATOM 0 H TRP A 62 -11.358 8.770 -8.191 1.00 0.00 H new ATOM 0 HA TRP A 62 -11.304 11.321 -9.489 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -10.062 11.446 -7.108 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.768 10.652 -7.985 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -7.270 12.159 -9.537 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -7.221 14.670 -10.163 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -11.769 13.518 -7.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -8.904 16.896 -9.821 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -12.485 15.868 -7.718 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -11.070 17.532 -8.850 1.00 0.00 H new ATOM 961 N TRP A 63 -10.100 8.464 -10.075 1.00 0.00 N ATOM 962 CA TRP A 63 -9.428 7.636 -11.075 1.00 0.00 C ATOM 963 C TRP A 63 -10.367 6.615 -11.705 1.00 0.00 C ATOM 964 O TRP A 63 -10.637 6.661 -12.905 1.00 0.00 O ATOM 965 CB TRP A 63 -8.236 6.909 -10.445 1.00 0.00 C ATOM 966 CG TRP A 63 -7.140 7.833 -10.014 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.518 7.876 -8.798 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.545 8.856 -10.806 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.563 8.866 -8.796 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.563 9.483 -10.020 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.750 9.298 -12.109 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.786 10.535 -10.503 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -5.989 10.336 -12.588 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.014 10.950 -11.788 1.00 0.00 C ATOM 0 H TRP A 63 -10.672 7.948 -9.407 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.084 8.305 -11.864 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.581 6.339 -9.583 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.836 6.192 -11.162 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.743 7.229 -7.963 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -4.955 9.102 -8.012 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.497 8.832 -12.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.033 11.005 -9.887 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.144 10.686 -13.598 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.432 11.765 -12.193 1.00 0.00 H new ATOM 985 N CYS A 64 -10.830 5.675 -10.895 1.00 0.00 N ATOM 986 CA CYS A 64 -11.707 4.619 -11.387 1.00 0.00 C ATOM 987 C CYS A 64 -13.174 4.935 -11.172 1.00 0.00 C ATOM 988 O CYS A 64 -13.534 5.779 -10.353 1.00 0.00 O ATOM 989 CB CYS A 64 -11.367 3.286 -10.717 1.00 0.00 C ATOM 990 SG CYS A 64 -11.879 3.165 -8.973 1.00 0.00 S ATOM 0 H CYS A 64 -10.616 5.620 -9.899 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.538 4.547 -12.461 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.841 2.480 -11.278 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.290 3.127 -10.778 1.00 0.00 H new ATOM 995 N ASN A 65 -14.019 4.237 -11.924 1.00 0.00 N ATOM 996 CA ASN A 65 -15.462 4.425 -11.831 1.00 0.00 C ATOM 997 C ASN A 65 -16.102 3.305 -11.018 1.00 0.00 C ATOM 998 O ASN A 65 -16.127 2.151 -11.444 1.00 0.00 O ATOM 999 CB ASN A 65 -16.082 4.475 -13.230 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.530 4.923 -13.205 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -17.821 6.119 -13.178 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -18.447 3.963 -13.211 1.00 0.00 N ATOM 0 H ASN A 65 -13.729 3.535 -12.605 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.650 5.372 -11.325 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.505 5.155 -13.856 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.018 3.488 -13.688 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -19.438 4.204 -13.193 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.161 2.984 -13.234 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.617 3.655 -9.842 1.00 0.00 N ATOM 1010 CA ASP A 66 -17.255 2.678 -8.966 1.00 0.00 C ATOM 1011 C ASP A 66 -18.767 2.669 -9.165 1.00 0.00 C ATOM 1012 O ASP A 66 -19.442 1.701 -8.813 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.921 2.980 -7.504 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.567 4.261 -7.015 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.487 5.280 -7.732 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -18.156 4.244 -5.913 1.00 0.00 O ATOM 0 H ASP A 66 -16.605 4.607 -9.475 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.870 1.691 -9.224 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -17.251 2.149 -6.880 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.840 3.055 -7.390 1.00 0.00 H new ATOM 1021 N GLY A 67 -19.294 3.750 -9.731 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.723 3.844 -9.967 1.00 0.00 C ATOM 1023 C GLY A 67 -21.510 4.121 -8.701 1.00 0.00 C ATOM 1024 O GLY A 67 -22.711 4.387 -8.755 1.00 0.00 O ATOM 0 H GLY A 67 -18.756 4.563 -10.031 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.916 4.636 -10.690 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.075 2.913 -10.412 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.835 4.057 -7.557 1.00 0.00 N ATOM 1029 CA ARG A 68 -21.482 4.302 -6.272 1.00 0.00 C ATOM 1030 C ARG A 68 -21.142 5.694 -5.747 1.00 0.00 C ATOM 1031 O ARG A 68 -21.579 6.082 -4.664 1.00 0.00 O ATOM 1032 CB ARG A 68 -21.058 3.243 -5.254 1.00 0.00 C ATOM 1033 CG ARG A 68 -21.633 1.864 -5.535 1.00 0.00 C ATOM 1034 CD ARG A 68 -22.772 1.531 -4.585 1.00 0.00 C ATOM 1035 NE ARG A 68 -22.307 1.373 -3.209 1.00 0.00 N ATOM 1036 CZ ARG A 68 -21.728 0.270 -2.748 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -21.541 -0.770 -3.549 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -21.334 0.205 -1.483 1.00 0.00 N ATOM 0 H ARG A 68 -19.841 3.838 -7.494 1.00 0.00 H new ATOM 0 HA ARG A 68 -22.560 4.243 -6.420 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.970 3.178 -5.241 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -21.370 3.562 -4.259 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -21.991 1.821 -6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -20.847 1.115 -5.439 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -23.522 2.321 -4.626 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -23.259 0.612 -4.911 1.00 0.00 H new ATOM 0 HE ARG A 68 -22.434 2.154 -2.566 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -21.842 -0.725 -4.522 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -21.096 -1.615 -3.192 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -21.476 1.003 -0.863 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -20.890 -0.643 -1.130 1.00 0.00 H new ATOM 1052 N THR A 69 -20.362 6.439 -6.524 1.00 0.00 N ATOM 1053 CA THR A 69 -19.965 7.788 -6.137 1.00 0.00 C ATOM 1054 C THR A 69 -20.171 8.771 -7.287 1.00 0.00 C ATOM 1055 O THR A 69 -19.421 8.761 -8.263 1.00 0.00 O ATOM 1056 CB THR A 69 -18.490 7.834 -5.696 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.211 6.748 -4.805 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.173 9.154 -5.007 1.00 0.00 C ATOM 0 H THR A 69 -19.993 6.132 -7.424 1.00 0.00 H new ATOM 0 HA THR A 69 -20.597 8.076 -5.297 1.00 0.00 H new ATOM 0 HB THR A 69 -17.865 7.745 -6.585 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.358 5.898 -5.269 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.126 9.164 -4.704 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.359 9.978 -5.696 1.00 0.00 H new ATOM 0 HG23 THR A 69 -18.806 9.266 -4.127 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.196 9.638 -7.188 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.493 10.630 -8.228 1.00 0.00 C ATOM 1068 C PRO A 70 -20.405 11.691 -8.343 1.00 0.00 C ATOM 1069 O PRO A 70 -20.279 12.561 -7.481 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.808 11.260 -7.758 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.836 11.032 -6.286 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.140 9.721 -6.059 1.00 0.00 C ATOM 0 HA PRO A 70 -21.554 10.176 -9.217 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.843 12.324 -7.994 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.665 10.796 -8.246 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.331 11.839 -5.756 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.860 11.000 -5.915 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.623 9.701 -5.100 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.842 8.887 -6.060 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.620 11.611 -9.413 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.551 12.571 -9.623 1.00 0.00 C ATOM 1082 C GLY A 71 -17.251 11.910 -10.039 1.00 0.00 C ATOM 1083 O GLY A 71 -16.224 12.575 -10.166 1.00 0.00 O ATOM 0 H GLY A 71 -19.705 10.899 -10.138 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.853 13.285 -10.389 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -18.390 13.137 -8.706 1.00 0.00 H new ATOM 1087 N SER A 72 -17.297 10.597 -10.249 1.00 0.00 N ATOM 1088 CA SER A 72 -16.114 9.844 -10.651 1.00 0.00 C ATOM 1089 C SER A 72 -15.515 10.412 -11.935 1.00 0.00 C ATOM 1090 O SER A 72 -16.147 10.385 -12.991 1.00 0.00 O ATOM 1091 CB SER A 72 -16.467 8.369 -10.849 1.00 0.00 C ATOM 1092 OG SER A 72 -16.271 7.632 -9.655 1.00 0.00 O ATOM 0 H SER A 72 -18.141 10.033 -10.147 1.00 0.00 H new ATOM 0 HA SER A 72 -15.372 9.931 -9.857 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.505 8.280 -11.168 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.852 7.948 -11.645 1.00 0.00 H new ATOM 0 HG SER A 72 -15.315 7.607 -9.439 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.293 10.924 -11.833 1.00 0.00 N ATOM 1099 CA ARG A 73 -13.605 11.500 -12.984 1.00 0.00 C ATOM 1100 C ARG A 73 -13.324 10.436 -14.040 1.00 0.00 C ATOM 1101 O ARG A 73 -13.429 10.694 -15.239 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.296 12.158 -12.544 1.00 0.00 C ATOM 1103 CG ARG A 73 -12.002 13.466 -13.259 1.00 0.00 C ATOM 1104 CD ARG A 73 -11.603 14.558 -12.280 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.622 15.599 -12.177 1.00 0.00 N ATOM 1106 CZ ARG A 73 -12.759 16.587 -13.056 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -11.945 16.669 -14.100 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -13.712 17.495 -12.892 1.00 0.00 N ATOM 0 H ARG A 73 -13.758 10.952 -10.965 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.255 12.257 -13.423 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.334 12.341 -11.470 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -11.474 11.465 -12.720 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -11.201 13.314 -13.983 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.882 13.782 -13.819 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.432 14.119 -11.297 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.660 15.003 -12.598 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.265 15.566 -11.386 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.211 15.973 -14.230 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.053 17.428 -14.772 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.341 17.436 -12.091 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.816 18.253 -13.567 1.00 0.00 H new ATOM 1122 N ASN A 74 -12.961 9.240 -13.583 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.656 8.129 -14.483 1.00 0.00 C ATOM 1124 C ASN A 74 -11.470 8.491 -15.364 1.00 0.00 C ATOM 1125 O ASN A 74 -11.356 8.038 -16.503 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.872 7.784 -15.346 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.875 6.334 -15.788 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.536 5.437 -15.016 1.00 0.00 O ATOM 1129 ND2 ASN A 74 -14.259 6.097 -17.037 1.00 0.00 N ATOM 0 H ASN A 74 -12.871 9.014 -12.592 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.403 7.253 -13.885 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.783 7.992 -14.785 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.885 8.429 -16.225 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.281 5.141 -17.391 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.532 6.871 -17.642 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.584 9.306 -14.807 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.384 9.747 -15.484 1.00 0.00 C ATOM 1138 C LEU A 75 -8.558 8.568 -15.936 1.00 0.00 C ATOM 1139 O LEU A 75 -7.970 8.554 -17.017 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.571 10.554 -14.496 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.833 12.058 -14.516 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.029 12.763 -13.435 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.521 12.642 -15.886 1.00 0.00 C ATOM 0 H LEU A 75 -10.684 9.680 -13.863 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.656 10.336 -16.360 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.772 10.179 -13.492 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.513 10.383 -14.694 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.891 12.219 -14.310 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.233 13.833 -13.470 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.311 12.371 -12.458 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.966 12.591 -13.602 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.715 13.715 -15.877 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.473 12.465 -16.127 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -9.151 12.166 -16.637 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.530 7.596 -15.065 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.801 6.377 -15.271 1.00 0.00 C ATOM 1157 C CYS A 76 -8.644 5.411 -16.091 1.00 0.00 C ATOM 1158 O CYS A 76 -8.159 4.384 -16.565 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.490 5.830 -13.891 1.00 0.00 C ATOM 1160 SG CYS A 76 -6.303 4.452 -13.817 1.00 0.00 S ATOM 0 H CYS A 76 -9.024 7.632 -14.174 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.876 6.535 -15.826 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.106 6.646 -13.279 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.424 5.502 -13.435 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.927 5.767 -16.229 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.881 4.946 -16.968 1.00 0.00 C ATOM 1167 C ASN A 77 -10.618 3.502 -16.607 1.00 0.00 C ATOM 1168 O ASN A 77 -10.453 2.636 -17.467 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.731 5.160 -18.477 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.986 4.787 -19.242 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.281 3.608 -19.436 1.00 0.00 O ATOM 1172 ND2 ASN A 77 -12.732 5.793 -19.680 1.00 0.00 N ATOM 0 H ASN A 77 -10.324 6.620 -15.836 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.901 5.225 -16.703 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.488 6.205 -18.671 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.895 4.565 -18.844 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -13.589 5.604 -20.201 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -12.449 6.756 -19.496 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.515 3.282 -15.307 1.00 0.00 N ATOM 1180 CA ILE A 78 -10.201 2.000 -14.774 1.00 0.00 C ATOM 1181 C ILE A 78 -11.311 1.417 -13.900 1.00 0.00 C ATOM 1182 O ILE A 78 -12.094 2.151 -13.297 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.901 2.122 -13.993 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -7.947 1.072 -14.475 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -9.111 2.033 -12.493 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -6.844 1.619 -15.353 1.00 0.00 C ATOM 0 H ILE A 78 -10.651 4.005 -14.600 1.00 0.00 H new ATOM 0 HA ILE A 78 -10.093 1.301 -15.603 1.00 0.00 H new ATOM 0 HB ILE A 78 -8.481 3.112 -14.174 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.502 0.573 -13.614 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.501 0.315 -15.030 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -8.151 2.126 -11.985 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -9.772 2.837 -12.170 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.561 1.072 -12.245 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.190 0.805 -15.666 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.280 2.093 -16.233 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.265 2.355 -14.794 1.00 0.00 H new ATOM 1198 N PRO A 79 -11.378 0.077 -13.818 1.00 0.00 N ATOM 1199 CA PRO A 79 -12.363 -0.635 -13.017 1.00 0.00 C ATOM 1200 C PRO A 79 -11.879 -0.815 -11.583 1.00 0.00 C ATOM 1201 O PRO A 79 -10.890 -1.504 -11.335 1.00 0.00 O ATOM 1202 CB PRO A 79 -12.484 -1.995 -13.720 1.00 0.00 C ATOM 1203 CG PRO A 79 -11.370 -2.055 -14.730 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.485 -0.859 -14.495 1.00 0.00 C ATOM 0 HA PRO A 79 -13.311 -0.102 -12.947 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.401 -2.811 -13.002 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.454 -2.095 -14.206 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.803 -2.980 -14.622 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.770 -2.043 -15.744 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.621 -1.110 -13.880 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -10.103 -0.449 -15.430 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.569 -0.176 -10.647 1.00 0.00 N ATOM 1213 CA CYS A 80 -12.203 -0.244 -9.236 1.00 0.00 C ATOM 1214 C CYS A 80 -12.074 -1.686 -8.743 1.00 0.00 C ATOM 1215 O CYS A 80 -11.049 -2.065 -8.176 1.00 0.00 O ATOM 1216 CB CYS A 80 -13.232 0.509 -8.394 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.644 2.163 -9.042 1.00 0.00 S ATOM 0 H CYS A 80 -13.390 0.398 -10.840 1.00 0.00 H new ATOM 0 HA CYS A 80 -11.225 0.226 -9.127 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.144 -0.085 -8.334 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.851 0.612 -7.378 1.00 0.00 H new ATOM 1222 N SER A 81 -13.121 -2.478 -8.945 1.00 0.00 N ATOM 1223 CA SER A 81 -13.128 -3.872 -8.502 1.00 0.00 C ATOM 1224 C SER A 81 -12.033 -4.697 -9.178 1.00 0.00 C ATOM 1225 O SER A 81 -11.712 -5.796 -8.725 1.00 0.00 O ATOM 1226 CB SER A 81 -14.494 -4.504 -8.776 1.00 0.00 C ATOM 1227 OG SER A 81 -15.015 -4.075 -10.022 1.00 0.00 O ATOM 0 H SER A 81 -13.977 -2.181 -9.413 1.00 0.00 H new ATOM 0 HA SER A 81 -12.929 -3.872 -7.430 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.403 -5.590 -8.771 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.187 -4.239 -7.978 1.00 0.00 H new ATOM 0 HG SER A 81 -15.888 -4.495 -10.174 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.465 -4.175 -10.261 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.413 -4.886 -10.986 1.00 0.00 C ATOM 1235 C ALA A 82 -9.038 -4.622 -10.380 1.00 0.00 C ATOM 1236 O ALA A 82 -8.101 -5.395 -10.585 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.427 -4.491 -12.454 1.00 0.00 C ATOM 0 H ALA A 82 -11.713 -3.268 -10.655 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.614 -5.954 -10.902 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.639 -5.027 -12.983 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.394 -4.744 -12.890 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -10.259 -3.418 -12.544 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.925 -3.531 -9.633 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.662 -3.169 -8.995 1.00 0.00 C ATOM 1245 C LEU A 83 -7.591 -3.716 -7.576 1.00 0.00 C ATOM 1246 O LEU A 83 -6.576 -3.571 -6.895 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.484 -1.648 -8.969 1.00 0.00 C ATOM 1248 CG LEU A 83 -8.294 -0.877 -10.009 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -8.872 0.390 -9.402 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -7.431 -0.545 -11.215 1.00 0.00 C ATOM 0 H LEU A 83 -9.690 -2.881 -9.453 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.857 -3.611 -9.582 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.756 -1.284 -7.978 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.428 -1.420 -9.113 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.120 -1.507 -10.339 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.446 0.926 -10.158 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.524 0.129 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.061 1.025 -9.044 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.024 0.004 -11.946 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.585 0.067 -10.900 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.064 -1.468 -11.665 1.00 0.00 H new ATOM 1262 N LEU A 84 -8.680 -4.326 -7.131 1.00 0.00 N ATOM 1263 CA LEU A 84 -8.745 -4.873 -5.784 1.00 0.00 C ATOM 1264 C LEU A 84 -8.547 -6.385 -5.778 1.00 0.00 C ATOM 1265 O LEU A 84 -8.455 -7.002 -4.716 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.079 -4.500 -5.140 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.498 -3.036 -5.328 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -11.535 -2.644 -4.290 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.291 -2.108 -5.252 1.00 0.00 C ATOM 0 H LEU A 84 -9.529 -4.454 -7.682 1.00 0.00 H new ATOM 0 HA LEU A 84 -7.931 -4.440 -5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -10.857 -5.142 -5.553 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.023 -4.713 -4.072 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.940 -2.935 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -11.822 -1.603 -4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.414 -3.280 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -11.115 -2.767 -3.292 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.616 -1.077 -5.388 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -8.813 -2.212 -4.278 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.580 -2.371 -6.035 1.00 0.00 H new ATOM 1281 N SER A 85 -8.472 -6.978 -6.965 1.00 0.00 N ATOM 1282 CA SER A 85 -8.274 -8.419 -7.088 1.00 0.00 C ATOM 1283 C SER A 85 -6.919 -8.829 -6.525 1.00 0.00 C ATOM 1284 O SER A 85 -6.177 -8.003 -5.992 1.00 0.00 O ATOM 1285 CB SER A 85 -8.378 -8.843 -8.553 1.00 0.00 C ATOM 1286 OG SER A 85 -9.691 -9.277 -8.867 1.00 0.00 O ATOM 0 H SER A 85 -8.545 -6.484 -7.855 1.00 0.00 H new ATOM 0 HA SER A 85 -9.054 -8.920 -6.514 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.104 -8.007 -9.197 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.669 -9.646 -8.754 1.00 0.00 H new ATOM 0 HG SER A 85 -9.732 -9.541 -9.810 1.00 0.00 H new ATOM 1292 N SER A 86 -6.602 -10.109 -6.659 1.00 0.00 N ATOM 1293 CA SER A 86 -5.334 -10.643 -6.175 1.00 0.00 C ATOM 1294 C SER A 86 -4.225 -10.355 -7.180 1.00 0.00 C ATOM 1295 O SER A 86 -3.250 -11.100 -7.284 1.00 0.00 O ATOM 1296 CB SER A 86 -5.446 -12.149 -5.935 1.00 0.00 C ATOM 1297 OG SER A 86 -5.619 -12.850 -7.154 1.00 0.00 O ATOM 0 H SER A 86 -7.208 -10.801 -7.101 1.00 0.00 H new ATOM 0 HA SER A 86 -5.091 -10.156 -5.230 1.00 0.00 H new ATOM 0 HB2 SER A 86 -4.549 -12.507 -5.430 1.00 0.00 H new ATOM 0 HB3 SER A 86 -6.287 -12.353 -5.272 1.00 0.00 H new ATOM 0 HG SER A 86 -5.686 -13.811 -6.972 1.00 0.00 H new ATOM 1303 N ASP A 87 -4.395 -9.268 -7.921 1.00 0.00 N ATOM 1304 CA ASP A 87 -3.432 -8.861 -8.931 1.00 0.00 C ATOM 1305 C ASP A 87 -3.177 -7.360 -8.852 1.00 0.00 C ATOM 1306 O ASP A 87 -4.110 -6.559 -8.935 1.00 0.00 O ATOM 1307 CB ASP A 87 -3.954 -9.242 -10.315 1.00 0.00 C ATOM 1308 CG ASP A 87 -2.995 -8.866 -11.427 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -1.790 -8.703 -11.142 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -3.449 -8.738 -12.583 1.00 0.00 O ATOM 0 H ASP A 87 -5.200 -8.648 -7.838 1.00 0.00 H new ATOM 0 HA ASP A 87 -2.488 -9.375 -8.751 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -4.137 -10.316 -10.347 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.912 -8.750 -10.485 1.00 0.00 H new ATOM 1315 N ILE A 88 -1.914 -6.981 -8.681 1.00 0.00 N ATOM 1316 CA ILE A 88 -1.549 -5.572 -8.581 1.00 0.00 C ATOM 1317 C ILE A 88 -1.491 -4.910 -9.949 1.00 0.00 C ATOM 1318 O ILE A 88 -1.289 -3.703 -10.047 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.185 -5.374 -7.888 1.00 0.00 C ATOM 1320 CG1 ILE A 88 0.732 -6.570 -8.141 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -0.373 -5.147 -6.398 1.00 0.00 C ATOM 1322 CD1 ILE A 88 2.198 -6.201 -8.202 1.00 0.00 C ATOM 0 H ILE A 88 -1.128 -7.628 -8.609 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.329 -5.105 -7.979 1.00 0.00 H new ATOM 0 HB ILE A 88 0.289 -4.489 -8.313 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.583 -7.306 -7.351 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.445 -7.046 -9.079 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.600 -5.009 -5.925 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.983 -4.257 -6.240 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.871 -6.011 -5.958 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.791 -7.097 -8.384 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.360 -5.488 -9.010 1.00 0.00 H new ATOM 0 HD13 ILE A 88 2.500 -5.752 -7.256 1.00 0.00 H new ATOM 1334 N THR A 89 -1.655 -5.699 -11.005 1.00 0.00 N ATOM 1335 CA THR A 89 -1.609 -5.167 -12.361 1.00 0.00 C ATOM 1336 C THR A 89 -2.531 -3.965 -12.514 1.00 0.00 C ATOM 1337 O THR A 89 -2.122 -2.922 -13.021 1.00 0.00 O ATOM 1338 CB THR A 89 -1.996 -6.236 -13.402 1.00 0.00 C ATOM 1339 OG1 THR A 89 -1.104 -7.353 -13.312 1.00 0.00 O ATOM 1340 CG2 THR A 89 -1.955 -5.663 -14.810 1.00 0.00 C ATOM 0 H THR A 89 -1.820 -6.704 -10.949 1.00 0.00 H new ATOM 0 HA THR A 89 -0.580 -4.855 -12.540 1.00 0.00 H new ATOM 0 HB THR A 89 -3.014 -6.564 -13.190 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.096 -7.692 -12.393 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.232 -6.437 -15.526 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.656 -4.832 -14.885 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.948 -5.309 -15.030 1.00 0.00 H new ATOM 1348 N ALA A 90 -3.783 -4.121 -12.096 1.00 0.00 N ATOM 1349 CA ALA A 90 -4.762 -3.060 -12.207 1.00 0.00 C ATOM 1350 C ALA A 90 -4.442 -1.867 -11.304 1.00 0.00 C ATOM 1351 O ALA A 90 -4.410 -0.727 -11.766 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.149 -3.600 -11.903 1.00 0.00 C ATOM 0 H ALA A 90 -4.139 -4.979 -11.676 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.729 -2.695 -13.233 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.879 -2.796 -11.989 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -6.395 -4.391 -12.612 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.169 -4.002 -10.890 1.00 0.00 H new ATOM 1358 N SER A 91 -4.203 -2.129 -10.018 1.00 0.00 N ATOM 1359 CA SER A 91 -3.884 -1.061 -9.070 1.00 0.00 C ATOM 1360 C SER A 91 -2.604 -0.339 -9.461 1.00 0.00 C ATOM 1361 O SER A 91 -2.442 0.852 -9.190 1.00 0.00 O ATOM 1362 CB SER A 91 -3.747 -1.622 -7.654 1.00 0.00 C ATOM 1363 OG SER A 91 -4.961 -1.495 -6.934 1.00 0.00 O ATOM 0 H SER A 91 -4.224 -3.064 -9.611 1.00 0.00 H new ATOM 0 HA SER A 91 -4.705 -0.345 -9.094 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.458 -2.672 -7.702 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.951 -1.096 -7.127 1.00 0.00 H new ATOM 0 HG SER A 91 -5.408 -2.366 -6.891 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.696 -1.061 -10.102 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.442 -0.462 -10.516 1.00 0.00 C ATOM 1371 C VAL A 92 -0.602 0.308 -11.806 1.00 0.00 C ATOM 1372 O VAL A 92 -0.135 1.427 -11.902 1.00 0.00 O ATOM 1373 CB VAL A 92 0.704 -1.476 -10.683 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.881 -0.820 -11.403 1.00 0.00 C ATOM 1375 CG2 VAL A 92 1.134 -2.026 -9.331 1.00 0.00 C ATOM 0 H VAL A 92 -1.804 -2.046 -10.342 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.171 0.213 -9.704 1.00 0.00 H new ATOM 0 HB VAL A 92 0.349 -2.311 -11.287 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.687 -1.544 -11.517 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.560 -0.476 -12.386 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.236 0.030 -10.820 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.945 -2.741 -9.470 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.476 -1.208 -8.698 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.289 -2.524 -8.855 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.249 -0.287 -12.798 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.447 0.374 -14.055 1.00 0.00 C ATOM 1387 C ASN A 93 -2.027 1.763 -13.832 1.00 0.00 C ATOM 1388 O ASN A 93 -1.568 2.750 -14.414 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.341 -0.481 -14.933 1.00 0.00 C ATOM 1390 CG ASN A 93 -3.725 0.101 -15.137 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -3.907 1.059 -15.887 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -4.713 -0.485 -14.468 1.00 0.00 N ATOM 0 H ASN A 93 -1.641 -1.227 -12.745 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.492 0.502 -14.565 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.864 -0.612 -15.904 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.434 -1.471 -14.487 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.669 -0.142 -14.566 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.515 -1.277 -13.857 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.017 1.833 -12.953 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.639 3.098 -12.618 1.00 0.00 C ATOM 1401 C CYS A 94 -2.606 4.025 -11.991 1.00 0.00 C ATOM 1402 O CYS A 94 -2.468 5.179 -12.399 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.812 2.878 -11.664 1.00 0.00 C ATOM 1404 SG CYS A 94 -6.145 4.110 -11.819 1.00 0.00 S ATOM 0 H CYS A 94 -3.404 1.027 -12.462 1.00 0.00 H new ATOM 0 HA CYS A 94 -4.023 3.560 -13.528 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.228 1.886 -11.841 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.439 2.890 -10.640 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.870 3.516 -10.998 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.849 4.323 -10.341 1.00 0.00 C ATOM 1411 C ALA A 95 0.275 4.634 -11.311 1.00 0.00 C ATOM 1412 O ALA A 95 0.907 5.678 -11.220 1.00 0.00 O ATOM 1413 CB ALA A 95 -0.311 3.642 -9.103 1.00 0.00 C ATOM 0 H ALA A 95 -1.962 2.566 -10.640 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.313 5.257 -10.024 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.448 4.274 -8.641 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.124 3.476 -8.397 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.132 2.685 -9.378 1.00 0.00 H new ATOM 1419 N LYS A 96 0.505 3.728 -12.255 1.00 0.00 N ATOM 1420 CA LYS A 96 1.534 3.929 -13.258 1.00 0.00 C ATOM 1421 C LYS A 96 1.269 5.279 -13.902 1.00 0.00 C ATOM 1422 O LYS A 96 2.177 6.059 -14.199 1.00 0.00 O ATOM 1423 CB LYS A 96 1.487 2.819 -14.311 1.00 0.00 C ATOM 1424 CG LYS A 96 2.326 1.603 -13.951 1.00 0.00 C ATOM 1425 CD LYS A 96 2.013 0.422 -14.856 1.00 0.00 C ATOM 1426 CE LYS A 96 2.815 0.481 -16.146 1.00 0.00 C ATOM 1427 NZ LYS A 96 3.727 -0.687 -16.286 1.00 0.00 N ATOM 0 H LYS A 96 -0.008 2.851 -12.343 1.00 0.00 H new ATOM 0 HA LYS A 96 2.524 3.902 -12.803 1.00 0.00 H new ATOM 0 HB2 LYS A 96 0.452 2.507 -14.452 1.00 0.00 H new ATOM 0 HB3 LYS A 96 1.832 3.219 -15.264 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.384 1.853 -14.030 1.00 0.00 H new ATOM 0 HG3 LYS A 96 2.141 1.326 -12.913 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.233 -0.508 -14.332 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.948 0.413 -15.088 1.00 0.00 H new ATOM 0 HE2 LYS A 96 2.134 0.514 -16.996 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.398 1.402 -16.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 4.449 -0.479 -17.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.191 -0.877 -15.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 3.179 -1.522 -16.576 1.00 0.00 H new ATOM 1441 N LYS A 97 -0.025 5.546 -14.052 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.503 6.803 -14.600 1.00 0.00 C ATOM 1443 C LYS A 97 -0.440 7.881 -13.526 1.00 0.00 C ATOM 1444 O LYS A 97 -0.222 9.057 -13.820 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.933 6.657 -15.123 1.00 0.00 C ATOM 1446 CG LYS A 97 -2.118 7.171 -16.541 1.00 0.00 C ATOM 1447 CD LYS A 97 -2.868 8.494 -16.560 1.00 0.00 C ATOM 1448 CE LYS A 97 -3.137 8.960 -17.982 1.00 0.00 C ATOM 1449 NZ LYS A 97 -3.194 10.445 -18.077 1.00 0.00 N ATOM 0 H LYS A 97 -0.768 4.895 -13.796 1.00 0.00 H new ATOM 0 HA LYS A 97 0.134 7.089 -15.437 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.219 5.606 -15.086 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.610 7.195 -14.459 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.144 7.297 -17.014 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.664 6.433 -17.128 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.812 8.386 -16.026 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.288 9.250 -16.031 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -2.355 8.584 -18.642 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -4.079 8.537 -18.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.379 10.723 -19.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -3.957 10.803 -17.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.286 10.848 -17.768 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.610 7.462 -12.272 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.551 8.383 -11.146 1.00 0.00 C ATOM 1465 C ILE A 98 0.839 9.005 -11.052 1.00 0.00 C ATOM 1466 O ILE A 98 0.990 10.225 -10.980 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.892 7.687 -9.813 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -2.383 7.338 -9.767 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.518 8.579 -8.637 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.785 6.547 -8.540 1.00 0.00 C ATOM 0 H ILE A 98 -0.789 6.491 -12.014 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.296 9.159 -11.321 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.315 6.765 -9.742 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.964 8.260 -9.801 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.641 6.766 -10.658 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.765 8.073 -7.704 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.551 8.788 -8.664 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -1.072 9.515 -8.700 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.854 6.337 -8.577 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -2.231 5.608 -8.515 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.560 7.126 -7.644 1.00 0.00 H new ATOM 1482 N VAL A 99 1.847 8.142 -11.054 1.00 0.00 N ATOM 1483 CA VAL A 99 3.236 8.563 -10.970 1.00 0.00 C ATOM 1484 C VAL A 99 3.689 9.224 -12.267 1.00 0.00 C ATOM 1485 O VAL A 99 4.635 10.011 -12.273 1.00 0.00 O ATOM 1486 CB VAL A 99 4.159 7.368 -10.661 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.184 6.394 -11.829 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.563 7.845 -10.325 1.00 0.00 C ATOM 0 H VAL A 99 1.723 7.131 -11.114 1.00 0.00 H new ATOM 0 HA VAL A 99 3.304 9.287 -10.158 1.00 0.00 H new ATOM 0 HB VAL A 99 3.762 6.845 -9.791 1.00 0.00 H new ATOM 0 HG11 VAL A 99 4.841 5.558 -11.591 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.176 6.022 -12.015 1.00 0.00 H new ATOM 0 HG13 VAL A 99 4.553 6.903 -12.720 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.198 6.985 -10.110 1.00 0.00 H new ATOM 0 HG22 VAL A 99 5.972 8.396 -11.172 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.527 8.496 -9.452 1.00 0.00 H new ATOM 1498 N SER A 100 3.002 8.913 -13.364 1.00 0.00 N ATOM 1499 CA SER A 100 3.335 9.495 -14.658 1.00 0.00 C ATOM 1500 C SER A 100 2.633 10.837 -14.838 1.00 0.00 C ATOM 1501 O SER A 100 2.935 11.587 -15.765 1.00 0.00 O ATOM 1502 CB SER A 100 2.943 8.544 -15.789 1.00 0.00 C ATOM 1503 OG SER A 100 3.400 9.023 -17.042 1.00 0.00 O ATOM 0 H SER A 100 2.215 8.264 -13.381 1.00 0.00 H new ATOM 0 HA SER A 100 4.412 9.656 -14.692 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.363 7.556 -15.599 1.00 0.00 H new ATOM 0 HB3 SER A 100 1.859 8.431 -15.813 1.00 0.00 H new ATOM 0 HG SER A 100 3.550 9.990 -16.988 1.00 0.00 H new ATOM 1509 N ASP A 101 1.691 11.127 -13.946 1.00 0.00 N ATOM 1510 CA ASP A 101 0.938 12.374 -14.004 1.00 0.00 C ATOM 1511 C ASP A 101 1.701 13.517 -13.341 1.00 0.00 C ATOM 1512 O ASP A 101 1.257 14.665 -13.371 1.00 0.00 O ATOM 1513 CB ASP A 101 -0.424 12.200 -13.331 1.00 0.00 C ATOM 1514 CG ASP A 101 -1.567 12.671 -14.210 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -1.625 13.882 -14.510 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -2.405 11.829 -14.596 1.00 0.00 O ATOM 0 H ASP A 101 1.431 10.514 -13.173 1.00 0.00 H new ATOM 0 HA ASP A 101 0.793 12.627 -15.054 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.571 11.149 -13.080 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.437 12.756 -12.394 1.00 0.00 H new ATOM 1521 N GLY A 102 2.852 13.204 -12.750 1.00 0.00 N ATOM 1522 CA GLY A 102 3.648 14.230 -12.099 1.00 0.00 C ATOM 1523 C GLY A 102 3.974 13.901 -10.654 1.00 0.00 C ATOM 1524 O GLY A 102 5.103 14.108 -10.205 1.00 0.00 O ATOM 0 H GLY A 102 3.245 12.264 -12.710 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.577 14.367 -12.653 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.111 15.178 -12.138 1.00 0.00 H new ATOM 1528 N ASN A 103 2.987 13.396 -9.920 1.00 0.00 N ATOM 1529 CA ASN A 103 3.178 13.049 -8.515 1.00 0.00 C ATOM 1530 C ASN A 103 3.597 11.589 -8.361 1.00 0.00 C ATOM 1531 O ASN A 103 2.809 10.678 -8.613 1.00 0.00 O ATOM 1532 CB ASN A 103 1.893 13.309 -7.727 1.00 0.00 C ATOM 1533 CG ASN A 103 1.716 14.774 -7.379 1.00 0.00 C ATOM 1534 OD1 ASN A 103 1.240 15.564 -8.195 1.00 0.00 O ATOM 1535 ND2 ASN A 103 2.098 15.145 -6.164 1.00 0.00 N ATOM 0 H ASN A 103 2.047 13.218 -10.274 1.00 0.00 H new ATOM 0 HA ASN A 103 3.976 13.677 -8.118 1.00 0.00 H new ATOM 0 HB2 ASN A 103 1.037 12.971 -8.311 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.906 12.719 -6.810 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.002 16.118 -5.874 1.00 0.00 H new ATOM 0 HD22 ASN A 103 2.487 14.457 -5.520 1.00 0.00 H new ATOM 1542 N GLY A 104 4.845 11.378 -7.952 1.00 0.00 N ATOM 1543 CA GLY A 104 5.352 10.028 -7.777 1.00 0.00 C ATOM 1544 C GLY A 104 4.904 9.390 -6.476 1.00 0.00 C ATOM 1545 O GLY A 104 3.710 9.309 -6.198 1.00 0.00 O ATOM 0 H GLY A 104 5.514 12.118 -7.739 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.020 9.410 -8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.441 10.048 -7.809 1.00 0.00 H new ATOM 1549 N MET A 105 5.870 8.947 -5.670 1.00 0.00 N ATOM 1550 CA MET A 105 5.577 8.321 -4.387 1.00 0.00 C ATOM 1551 C MET A 105 5.157 9.381 -3.392 1.00 0.00 C ATOM 1552 O MET A 105 4.713 9.079 -2.284 1.00 0.00 O ATOM 1553 CB MET A 105 6.810 7.588 -3.857 1.00 0.00 C ATOM 1554 CG MET A 105 7.727 7.063 -4.946 1.00 0.00 C ATOM 1555 SD MET A 105 6.888 5.949 -6.085 1.00 0.00 S ATOM 1556 CE MET A 105 5.979 4.932 -4.930 1.00 0.00 C ATOM 0 H MET A 105 6.864 9.012 -5.887 1.00 0.00 H new ATOM 0 HA MET A 105 4.770 7.601 -4.524 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.374 8.264 -3.215 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.486 6.754 -3.235 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.139 7.903 -5.504 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.567 6.542 -4.487 1.00 0.00 H new ATOM 0 HE1 MET A 105 5.990 3.897 -5.270 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.443 4.995 -3.946 1.00 0.00 H new ATOM 0 HE3 MET A 105 4.949 5.283 -4.868 1.00 0.00 H new ATOM 1566 N ASN A 106 5.320 10.629 -3.800 1.00 0.00 N ATOM 1567 CA ASN A 106 4.984 11.763 -2.967 1.00 0.00 C ATOM 1568 C ASN A 106 3.474 11.968 -2.910 1.00 0.00 C ATOM 1569 O ASN A 106 2.944 12.474 -1.921 1.00 0.00 O ATOM 1570 CB ASN A 106 5.665 13.011 -3.520 1.00 0.00 C ATOM 1571 CG ASN A 106 6.956 12.688 -4.248 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.948 12.295 -3.633 1.00 0.00 O ATOM 1573 ND2 ASN A 106 6.951 12.854 -5.566 1.00 0.00 N ATOM 0 H ASN A 106 5.689 10.880 -4.717 1.00 0.00 H new ATOM 0 HA ASN A 106 5.335 11.573 -1.953 1.00 0.00 H new ATOM 0 HB2 ASN A 106 4.984 13.522 -4.201 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.874 13.700 -2.702 1.00 0.00 H new ATOM 0 HD21 ASN A 106 7.791 12.654 -6.108 1.00 0.00 H new ATOM 0 HD22 ASN A 106 6.107 13.182 -6.036 1.00 0.00 H new ATOM 1580 N ALA A 107 2.789 11.570 -3.979 1.00 0.00 N ATOM 1581 CA ALA A 107 1.339 11.707 -4.052 1.00 0.00 C ATOM 1582 C ALA A 107 0.674 11.085 -2.833 1.00 0.00 C ATOM 1583 O ALA A 107 -0.190 11.694 -2.200 1.00 0.00 O ATOM 1584 CB ALA A 107 0.815 11.060 -5.325 1.00 0.00 C ATOM 0 H ALA A 107 3.215 11.151 -4.805 1.00 0.00 H new ATOM 0 HA ALA A 107 1.095 12.769 -4.068 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.269 11.168 -5.369 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.264 11.546 -6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.074 10.001 -5.328 1.00 0.00 H new ATOM 1590 N TRP A 108 1.083 9.864 -2.514 1.00 0.00 N ATOM 1591 CA TRP A 108 0.535 9.145 -1.377 1.00 0.00 C ATOM 1592 C TRP A 108 1.176 9.621 -0.076 1.00 0.00 C ATOM 1593 O TRP A 108 2.381 9.865 -0.012 1.00 0.00 O ATOM 1594 CB TRP A 108 0.722 7.643 -1.579 1.00 0.00 C ATOM 1595 CG TRP A 108 0.127 7.166 -2.872 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -1.184 6.873 -3.113 1.00 0.00 C ATOM 1597 CD2 TRP A 108 0.820 6.945 -4.109 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -1.349 6.480 -4.419 1.00 0.00 N ATOM 1599 CE2 TRP A 108 -0.134 6.511 -5.051 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.151 7.069 -4.508 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.206 6.203 -6.369 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.486 6.762 -5.813 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.519 6.334 -6.730 1.00 0.00 C ATOM 0 H TRP A 108 1.796 9.351 -3.031 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.533 9.350 -1.304 1.00 0.00 H new ATOM 0 HB2 TRP A 108 1.786 7.405 -1.561 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.262 7.106 -0.749 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.977 6.940 -2.383 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -2.233 6.209 -4.849 1.00 0.00 H new ATOM 0 HE3 TRP A 108 2.906 7.399 -3.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.540 5.874 -7.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.514 6.854 -6.132 1.00 0.00 H new ATOM 0 HH2 TRP A 108 1.815 6.103 -7.742 1.00 0.00 H new ATOM 1614 N VAL A 109 0.343 9.788 0.943 1.00 0.00 N ATOM 1615 CA VAL A 109 0.783 10.281 2.246 1.00 0.00 C ATOM 1616 C VAL A 109 1.454 9.224 3.110 1.00 0.00 C ATOM 1617 O VAL A 109 2.148 9.559 4.070 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.389 10.839 3.037 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.071 11.938 3.983 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.491 11.337 2.114 1.00 0.00 C ATOM 0 H VAL A 109 -0.656 9.586 0.892 1.00 0.00 H new ATOM 0 HA VAL A 109 1.517 11.054 2.018 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.803 10.029 3.637 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.785 12.322 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 109 0.805 11.534 4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.523 12.747 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.315 11.730 2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.099 12.126 1.472 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.850 10.513 1.498 1.00 0.00 H new ATOM 1630 N ALA A 110 1.264 7.958 2.783 1.00 0.00 N ATOM 1631 CA ALA A 110 1.879 6.888 3.559 1.00 0.00 C ATOM 1632 C ALA A 110 3.368 6.810 3.274 1.00 0.00 C ATOM 1633 O ALA A 110 4.164 6.483 4.154 1.00 0.00 O ATOM 1634 CB ALA A 110 1.205 5.556 3.271 1.00 0.00 C ATOM 0 H ALA A 110 0.696 7.645 1.996 1.00 0.00 H new ATOM 0 HA ALA A 110 1.744 7.113 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.680 4.773 3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.149 5.618 3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.302 5.321 2.211 1.00 0.00 H new ATOM 1640 N TRP A 111 3.743 7.145 2.048 1.00 0.00 N ATOM 1641 CA TRP A 111 5.144 7.144 1.669 1.00 0.00 C ATOM 1642 C TRP A 111 5.793 8.425 2.171 1.00 0.00 C ATOM 1643 O TRP A 111 6.959 8.432 2.560 1.00 0.00 O ATOM 1644 CB TRP A 111 5.309 6.999 0.153 1.00 0.00 C ATOM 1645 CG TRP A 111 6.739 7.014 -0.297 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.536 5.930 -0.533 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.545 8.168 -0.569 1.00 0.00 C ATOM 1648 NE1 TRP A 111 8.785 6.338 -0.933 1.00 0.00 N ATOM 1649 CE2 TRP A 111 8.816 7.708 -0.963 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.314 9.546 -0.518 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 9.850 8.576 -1.303 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.342 10.407 -0.855 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.596 9.919 -1.244 1.00 0.00 C ATOM 0 H TRP A 111 3.100 7.419 1.305 1.00 0.00 H new ATOM 0 HA TRP A 111 5.638 6.286 2.126 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.845 6.066 -0.167 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.772 7.808 -0.342 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.228 4.901 -0.421 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.563 5.722 -1.169 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.350 9.931 -0.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 10.818 8.203 -1.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.175 11.473 -0.818 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.378 10.617 -1.503 1.00 0.00 H new ATOM 1664 N ARG A 112 5.019 9.512 2.187 1.00 0.00 N ATOM 1665 CA ARG A 112 5.509 10.793 2.672 1.00 0.00 C ATOM 1666 C ARG A 112 5.198 10.957 4.155 1.00 0.00 C ATOM 1667 O ARG A 112 4.699 11.997 4.586 1.00 0.00 O ATOM 1668 CB ARG A 112 4.868 11.928 1.895 1.00 0.00 C ATOM 1669 CG ARG A 112 5.665 12.370 0.679 1.00 0.00 C ATOM 1670 CD ARG A 112 5.561 13.870 0.458 1.00 0.00 C ATOM 1671 NE ARG A 112 6.697 14.588 1.031 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.820 15.911 1.011 1.00 0.00 C ATOM 1673 NH1 ARG A 112 5.880 16.660 0.449 1.00 0.00 N ATOM 1674 NH2 ARG A 112 7.884 16.488 1.552 1.00 0.00 N ATOM 0 H ARG A 112 4.050 9.525 1.868 1.00 0.00 H new ATOM 0 HA ARG A 112 6.589 10.821 2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 112 3.874 11.618 1.573 1.00 0.00 H new ATOM 0 HB3 ARG A 112 4.736 12.781 2.560 1.00 0.00 H new ATOM 0 HG2 ARG A 112 6.711 12.092 0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 112 5.303 11.845 -0.205 1.00 0.00 H new ATOM 0 HD2 ARG A 112 5.504 14.076 -0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 112 4.637 14.239 0.903 1.00 0.00 H new ATOM 0 HE ARG A 112 7.438 14.043 1.472 1.00 0.00 H new ATOM 0 HH11 ARG A 112 5.060 16.221 0.031 1.00 0.00 H new ATOM 0 HH12 ARG A 112 5.977 17.675 0.435 1.00 0.00 H new ATOM 0 HH21 ARG A 112 8.610 15.916 1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.977 17.504 1.536 1.00 0.00 H new ATOM 1688 N ASN A 113 5.503 9.930 4.929 1.00 0.00 N ATOM 1689 CA ASN A 113 5.264 9.962 6.367 1.00 0.00 C ATOM 1690 C ASN A 113 6.218 9.026 7.095 1.00 0.00 C ATOM 1691 O ASN A 113 6.961 9.443 7.983 1.00 0.00 O ATOM 1692 CB ASN A 113 3.817 9.577 6.675 1.00 0.00 C ATOM 1693 CG ASN A 113 3.233 10.387 7.816 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.922 10.702 8.786 1.00 0.00 O ATOM 1695 ND2 ASN A 113 1.955 10.730 7.704 1.00 0.00 N ATOM 0 H ASN A 113 5.917 9.062 4.589 1.00 0.00 H new ATOM 0 HA ASN A 113 5.442 10.979 6.717 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.208 9.720 5.782 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.771 8.517 6.925 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.507 11.276 8.440 1.00 0.00 H new ATOM 0 HD22 ASN A 113 1.421 10.447 6.882 1.00 0.00 H new ATOM 1702 N ARG A 114 6.177 7.754 6.722 1.00 0.00 N ATOM 1703 CA ARG A 114 7.023 6.747 7.348 1.00 0.00 C ATOM 1704 C ARG A 114 8.026 6.153 6.363 1.00 0.00 C ATOM 1705 O ARG A 114 8.749 5.216 6.697 1.00 0.00 O ATOM 1706 CB ARG A 114 6.156 5.636 7.929 1.00 0.00 C ATOM 1707 CG ARG A 114 5.750 5.870 9.375 1.00 0.00 C ATOM 1708 CD ARG A 114 6.769 5.285 10.341 1.00 0.00 C ATOM 1709 NE ARG A 114 6.479 5.647 11.726 1.00 0.00 N ATOM 1710 CZ ARG A 114 6.788 6.823 12.262 1.00 0.00 C ATOM 1711 NH1 ARG A 114 7.394 7.750 11.532 1.00 0.00 N ATOM 1712 NH2 ARG A 114 6.491 7.075 13.530 1.00 0.00 N ATOM 0 H ARG A 114 5.566 7.395 5.988 1.00 0.00 H new ATOM 0 HA ARG A 114 7.587 7.236 8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 114 5.257 5.533 7.321 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.697 4.692 7.861 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.647 6.940 9.557 1.00 0.00 H new ATOM 0 HG3 ARG A 114 4.774 5.420 9.557 1.00 0.00 H new ATOM 0 HD2 ARG A 114 6.779 4.199 10.244 1.00 0.00 H new ATOM 0 HD3 ARG A 114 7.765 5.638 10.075 1.00 0.00 H new ATOM 0 HE ARG A 114 6.013 4.958 12.316 1.00 0.00 H new ATOM 0 HH11 ARG A 114 7.624 7.561 10.556 1.00 0.00 H new ATOM 0 HH12 ARG A 114 7.630 8.652 11.946 1.00 0.00 H new ATOM 0 HH21 ARG A 114 6.025 6.365 14.095 1.00 0.00 H new ATOM 0 HH22 ARG A 114 6.729 7.978 13.940 1.00 0.00 H new ATOM 1726 N CYS A 115 8.063 6.692 5.149 1.00 0.00 N ATOM 1727 CA CYS A 115 8.980 6.190 4.130 1.00 0.00 C ATOM 1728 C CYS A 115 10.049 7.219 3.781 1.00 0.00 C ATOM 1729 O CYS A 115 11.241 6.910 3.787 1.00 0.00 O ATOM 1730 CB CYS A 115 8.208 5.789 2.876 1.00 0.00 C ATOM 1731 SG CYS A 115 7.383 4.172 3.006 1.00 0.00 S ATOM 0 H CYS A 115 7.475 7.469 4.848 1.00 0.00 H new ATOM 0 HA CYS A 115 9.482 5.313 4.539 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.460 6.552 2.662 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.894 5.769 2.029 1.00 0.00 H new ATOM 1736 N LYS A 116 9.621 8.439 3.470 1.00 0.00 N ATOM 1737 CA LYS A 116 10.550 9.504 3.112 1.00 0.00 C ATOM 1738 C LYS A 116 11.496 9.816 4.266 1.00 0.00 C ATOM 1739 O LYS A 116 11.201 10.660 5.114 1.00 0.00 O ATOM 1740 CB LYS A 116 9.780 10.765 2.713 1.00 0.00 C ATOM 1741 CG LYS A 116 10.619 11.772 1.941 1.00 0.00 C ATOM 1742 CD LYS A 116 10.045 13.175 2.050 1.00 0.00 C ATOM 1743 CE LYS A 116 11.144 14.225 2.076 1.00 0.00 C ATOM 1744 NZ LYS A 116 10.847 15.316 3.044 1.00 0.00 N ATOM 0 H LYS A 116 8.639 8.714 3.459 1.00 0.00 H new ATOM 0 HA LYS A 116 11.144 9.163 2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.921 10.479 2.106 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.390 11.243 3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 116 11.640 11.765 2.322 1.00 0.00 H new ATOM 0 HG3 LYS A 116 10.668 11.478 0.892 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.380 13.364 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 116 9.443 13.254 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 116 12.091 13.753 2.340 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.266 14.648 1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 10.999 16.237 2.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 9.858 15.243 3.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.477 15.231 3.867 1.00 0.00 H new ATOM 1758 N GLY A 117 12.636 9.134 4.291 1.00 0.00 N ATOM 1759 CA GLY A 117 13.608 9.356 5.344 1.00 0.00 C ATOM 1760 C GLY A 117 14.188 8.067 5.894 1.00 0.00 C ATOM 1761 O GLY A 117 14.947 8.088 6.862 1.00 0.00 O ATOM 0 H GLY A 117 12.904 8.432 3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.417 9.977 4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.137 9.912 6.155 1.00 0.00 H new ATOM 1765 N THR A 118 13.835 6.940 5.278 1.00 0.00 N ATOM 1766 CA THR A 118 14.332 5.642 5.719 1.00 0.00 C ATOM 1767 C THR A 118 15.156 4.972 4.620 1.00 0.00 C ATOM 1768 O THR A 118 15.782 5.650 3.806 1.00 0.00 O ATOM 1769 CB THR A 118 13.175 4.711 6.128 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.261 4.556 5.035 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.437 5.264 7.337 1.00 0.00 C ATOM 0 H THR A 118 13.208 6.901 4.474 1.00 0.00 H new ATOM 0 HA THR A 118 14.967 5.817 6.587 1.00 0.00 H new ATOM 0 HB THR A 118 13.595 3.740 6.391 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.894 5.431 4.789 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.624 4.590 7.607 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.128 5.354 8.175 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.029 6.246 7.096 1.00 0.00 H new ATOM 1779 N ASP A 119 15.155 3.640 4.600 1.00 0.00 N ATOM 1780 CA ASP A 119 15.906 2.894 3.598 1.00 0.00 C ATOM 1781 C ASP A 119 15.034 1.868 2.887 1.00 0.00 C ATOM 1782 O ASP A 119 14.812 0.766 3.389 1.00 0.00 O ATOM 1783 CB ASP A 119 17.094 2.211 4.231 1.00 0.00 C ATOM 1784 CG ASP A 119 18.258 2.062 3.272 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.552 3.029 2.539 1.00 0.00 O ATOM 1786 OD2 ASP A 119 18.878 0.977 3.255 1.00 0.00 O ATOM 0 H ASP A 119 14.644 3.059 5.265 1.00 0.00 H new ATOM 0 HA ASP A 119 16.256 3.609 2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.416 2.782 5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.794 1.226 4.589 1.00 0.00 H new ATOM 1791 N VAL A 120 14.546 2.242 1.711 1.00 0.00 N ATOM 1792 CA VAL A 120 13.700 1.370 0.911 1.00 0.00 C ATOM 1793 C VAL A 120 14.515 0.237 0.304 1.00 0.00 C ATOM 1794 O VAL A 120 14.034 -0.889 0.178 1.00 0.00 O ATOM 1795 CB VAL A 120 12.999 2.149 -0.218 1.00 0.00 C ATOM 1796 CG1 VAL A 120 11.983 3.124 0.358 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.019 2.880 -1.079 1.00 0.00 C ATOM 0 H VAL A 120 14.725 3.153 1.288 1.00 0.00 H new ATOM 0 HA VAL A 120 12.942 0.957 1.577 1.00 0.00 H new ATOM 0 HB VAL A 120 12.469 1.436 -0.850 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.498 3.666 -0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.233 2.574 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.489 3.832 1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.504 3.424 -1.871 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.580 3.582 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.705 2.158 -1.522 1.00 0.00 H new ATOM 1807 N GLN A 121 15.760 0.539 -0.057 1.00 0.00 N ATOM 1808 CA GLN A 121 16.646 -0.461 -0.633 1.00 0.00 C ATOM 1809 C GLN A 121 16.826 -1.608 0.352 1.00 0.00 C ATOM 1810 O GLN A 121 17.138 -2.735 -0.033 1.00 0.00 O ATOM 1811 CB GLN A 121 18.002 0.156 -0.976 1.00 0.00 C ATOM 1812 CG GLN A 121 18.015 0.895 -2.305 1.00 0.00 C ATOM 1813 CD GLN A 121 18.171 2.394 -2.137 1.00 0.00 C ATOM 1814 OE1 GLN A 121 17.307 3.059 -1.565 1.00 0.00 O ATOM 1815 NE2 GLN A 121 19.276 2.934 -2.637 1.00 0.00 N ATOM 0 H GLN A 121 16.174 1.466 0.040 1.00 0.00 H new ATOM 0 HA GLN A 121 16.201 -0.840 -1.553 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.289 0.846 -0.183 1.00 0.00 H new ATOM 0 HB3 GLN A 121 18.755 -0.632 -1.000 1.00 0.00 H new ATOM 0 HG2 GLN A 121 18.831 0.515 -2.920 1.00 0.00 H new ATOM 0 HG3 GLN A 121 17.089 0.688 -2.841 1.00 0.00 H new ATOM 0 HE21 GLN A 121 19.966 2.345 -3.103 1.00 0.00 H new ATOM 0 HE22 GLN A 121 19.435 3.938 -2.555 1.00 0.00 H new ATOM 1824 N ALA A 122 16.611 -1.303 1.628 1.00 0.00 N ATOM 1825 CA ALA A 122 16.729 -2.293 2.686 1.00 0.00 C ATOM 1826 C ALA A 122 15.391 -2.983 2.925 1.00 0.00 C ATOM 1827 O ALA A 122 15.341 -4.087 3.467 1.00 0.00 O ATOM 1828 CB ALA A 122 17.228 -1.643 3.967 1.00 0.00 C ATOM 0 H ALA A 122 16.353 -0.371 1.953 1.00 0.00 H new ATOM 0 HA ALA A 122 17.453 -3.046 2.374 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.311 -2.397 4.749 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.206 -1.194 3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.526 -0.871 4.281 1.00 0.00 H new ATOM 1834 N TRP A 123 14.305 -2.325 2.514 1.00 0.00 N ATOM 1835 CA TRP A 123 12.967 -2.887 2.685 1.00 0.00 C ATOM 1836 C TRP A 123 12.823 -4.203 1.923 1.00 0.00 C ATOM 1837 O TRP A 123 11.901 -4.979 2.175 1.00 0.00 O ATOM 1838 CB TRP A 123 11.903 -1.892 2.218 1.00 0.00 C ATOM 1839 CG TRP A 123 11.424 -0.977 3.305 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.291 0.378 3.234 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.013 -1.349 4.628 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.826 0.869 4.430 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.649 -0.177 5.297 1.00 0.00 C ATOM 1844 CE3 TRP A 123 10.917 -2.560 5.311 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.200 -0.188 6.610 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.471 -2.569 6.614 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.116 -1.386 7.252 1.00 0.00 C ATOM 0 H TRP A 123 14.326 -1.410 2.064 1.00 0.00 H new ATOM 0 HA TRP A 123 12.822 -3.087 3.747 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.309 -1.294 1.402 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.053 -2.443 1.816 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.518 0.978 2.365 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.643 1.851 4.638 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.190 -3.484 4.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 9.925 0.729 7.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.396 -3.506 7.146 1.00 0.00 H new ATOM 0 HH2 TRP A 123 9.768 -1.418 8.274 1.00 0.00 H new ATOM 1858 N ILE A 124 13.744 -4.452 0.997 1.00 0.00 N ATOM 1859 CA ILE A 124 13.726 -5.677 0.205 1.00 0.00 C ATOM 1860 C ILE A 124 15.049 -6.425 0.340 1.00 0.00 C ATOM 1861 O ILE A 124 15.337 -7.350 -0.422 1.00 0.00 O ATOM 1862 CB ILE A 124 13.457 -5.391 -1.284 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.287 -4.196 -1.757 1.00 0.00 C ATOM 1864 CG2 ILE A 124 11.974 -5.144 -1.517 1.00 0.00 C ATOM 1865 CD1 ILE A 124 14.988 -4.432 -3.076 1.00 0.00 C ATOM 0 H ILE A 124 14.514 -3.820 0.776 1.00 0.00 H new ATOM 0 HA ILE A 124 12.914 -6.293 0.591 1.00 0.00 H new ATOM 0 HB ILE A 124 13.754 -6.264 -1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 124 13.636 -3.326 -1.851 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.031 -3.957 -0.997 1.00 0.00 H new ATOM 0 HG21 ILE A 124 11.800 -4.943 -2.574 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.407 -6.025 -1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.651 -4.286 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.557 -3.544 -3.350 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.664 -5.282 -2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.248 -4.641 -3.849 1.00 0.00 H new ATOM 1877 N ARG A 125 15.847 -6.010 1.317 1.00 0.00 N ATOM 1878 CA ARG A 125 17.145 -6.628 1.567 1.00 0.00 C ATOM 1879 C ARG A 125 16.981 -8.064 2.055 1.00 0.00 C ATOM 1880 O ARG A 125 16.831 -8.309 3.253 1.00 0.00 O ATOM 1881 CB ARG A 125 17.931 -5.812 2.596 1.00 0.00 C ATOM 1882 CG ARG A 125 19.077 -5.016 1.994 1.00 0.00 C ATOM 1883 CD ARG A 125 20.103 -4.631 3.049 1.00 0.00 C ATOM 1884 NE ARG A 125 21.469 -4.885 2.603 1.00 0.00 N ATOM 1885 CZ ARG A 125 22.162 -4.051 1.833 1.00 0.00 C ATOM 1886 NH1 ARG A 125 21.618 -2.912 1.427 1.00 0.00 N ATOM 1887 NH2 ARG A 125 23.401 -4.356 1.471 1.00 0.00 N ATOM 0 H ARG A 125 15.617 -5.245 1.952 1.00 0.00 H new ATOM 0 HA ARG A 125 17.698 -6.646 0.628 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.250 -5.127 3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.327 -6.486 3.356 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.559 -5.604 1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 125 18.686 -4.116 1.519 1.00 0.00 H new ATOM 0 HD2 ARG A 125 19.992 -3.575 3.294 1.00 0.00 H new ATOM 0 HD3 ARG A 125 19.910 -5.192 3.964 1.00 0.00 H new ATOM 0 HE ARG A 125 21.918 -5.752 2.899 1.00 0.00 H new ATOM 0 HH11 ARG A 125 20.666 -2.674 1.705 1.00 0.00 H new ATOM 0 HH12 ARG A 125 22.152 -2.274 0.837 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.823 -5.231 1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 125 23.932 -3.716 0.880 1.00 0.00 H new ATOM 1901 N GLY A 126 17.011 -9.009 1.121 1.00 0.00 N ATOM 1902 CA GLY A 126 16.866 -10.410 1.476 1.00 0.00 C ATOM 1903 C GLY A 126 15.812 -11.116 0.646 1.00 0.00 C ATOM 1904 O GLY A 126 15.668 -12.337 0.722 1.00 0.00 O ATOM 0 H GLY A 126 17.133 -8.830 0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 126 17.823 -10.915 1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 126 16.605 -10.488 2.531 1.00 0.00 H new ATOM 1908 N CYS A 127 15.074 -10.348 -0.149 1.00 0.00 N ATOM 1909 CA CYS A 127 14.028 -10.905 -0.995 1.00 0.00 C ATOM 1910 C CYS A 127 14.615 -11.647 -2.190 1.00 0.00 C ATOM 1911 O CYS A 127 15.834 -11.762 -2.324 1.00 0.00 O ATOM 1912 CB CYS A 127 13.096 -9.806 -1.464 1.00 0.00 C ATOM 1913 SG CYS A 127 11.668 -9.524 -0.371 1.00 0.00 S ATOM 0 H CYS A 127 15.182 -9.337 -0.224 1.00 0.00 H new ATOM 0 HA CYS A 127 13.463 -11.624 -0.402 1.00 0.00 H new ATOM 0 HB2 CYS A 127 13.661 -8.878 -1.552 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.733 -10.054 -2.461 1.00 0.00 H new ATOM 1918 N ARG A 128 13.741 -12.149 -3.054 1.00 0.00 N ATOM 1919 CA ARG A 128 14.170 -12.881 -4.240 1.00 0.00 C ATOM 1920 C ARG A 128 13.247 -12.598 -5.420 1.00 0.00 C ATOM 1921 O ARG A 128 12.116 -13.085 -5.466 1.00 0.00 O ATOM 1922 CB ARG A 128 14.204 -14.384 -3.953 1.00 0.00 C ATOM 1923 CG ARG A 128 15.449 -14.833 -3.206 1.00 0.00 C ATOM 1924 CD ARG A 128 15.117 -15.296 -1.797 1.00 0.00 C ATOM 1925 NE ARG A 128 14.804 -16.722 -1.748 1.00 0.00 N ATOM 1926 CZ ARG A 128 14.679 -17.412 -0.619 1.00 0.00 C ATOM 1927 NH1 ARG A 128 14.840 -16.810 0.552 1.00 0.00 N ATOM 1928 NH2 ARG A 128 14.392 -18.706 -0.660 1.00 0.00 N ATOM 0 H ARG A 128 12.729 -12.063 -2.956 1.00 0.00 H new ATOM 0 HA ARG A 128 15.174 -12.544 -4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.324 -14.654 -3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 128 14.141 -14.927 -4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 128 15.930 -15.644 -3.753 1.00 0.00 H new ATOM 0 HG3 ARG A 128 16.164 -14.011 -3.161 1.00 0.00 H new ATOM 0 HD2 ARG A 128 15.960 -15.087 -1.139 1.00 0.00 H new ATOM 0 HD3 ARG A 128 14.269 -14.726 -1.419 1.00 0.00 H new ATOM 0 HE ARG A 128 14.674 -17.216 -2.631 1.00 0.00 H new ATOM 0 HH11 ARG A 128 15.060 -15.815 0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 128 14.743 -17.342 1.417 1.00 0.00 H new ATOM 0 HH21 ARG A 128 14.267 -19.172 -1.558 1.00 0.00 H new ATOM 0 HH22 ARG A 128 14.296 -19.235 0.207 1.00 0.00 H new ATOM 1942 N LEU A 129 13.735 -11.809 -6.371 1.00 0.00 N ATOM 1943 CA LEU A 129 12.954 -11.460 -7.553 1.00 0.00 C ATOM 1944 C LEU A 129 13.821 -11.493 -8.808 1.00 0.00 C ATOM 1945 O LEU A 129 13.261 -11.366 -9.916 1.00 0.00 O ATOM 1946 CB LEU A 129 12.330 -10.073 -7.386 1.00 0.00 C ATOM 1947 CG LEU A 129 13.261 -9.010 -6.802 1.00 0.00 C ATOM 1948 CD1 LEU A 129 13.182 -7.727 -7.615 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.914 -8.741 -5.345 1.00 0.00 C ATOM 1950 OXT LEU A 129 15.053 -11.646 -8.670 1.00 0.00 O ATOM 0 H LEU A 129 14.668 -11.399 -6.347 1.00 0.00 H new ATOM 0 HA LEU A 129 12.159 -12.198 -7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.978 -9.730 -8.359 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.455 -10.160 -6.743 1.00 0.00 H new ATOM 0 HG LEU A 129 14.284 -9.384 -6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.851 -6.982 -7.185 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.478 -7.930 -8.644 1.00 0.00 H new ATOM 0 HD13 LEU A 129 12.160 -7.349 -7.599 1.00 0.00 H new ATOM 0 HD21 LEU A 129 13.586 -7.982 -4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.885 -8.388 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 129 13.022 -9.660 -4.770 1.00 0.00 H new