USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=27 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 HE2:sc= -1.17 K(o=-1.2,f=-2.1) USER MOD Set 1.2: A 89 THR OG1 : rot -55:sc= -0.0332 USER MOD Set 2.1: A 74 ASN :FLIP amide:sc= -3.82! C(o=-9.1!,f=-3.5!) USER MOD Set 2.2: A 77 ASN :FLIP amide:sc= 0.284 F(o=-9.8,f=-3.5) USER MOD Set 3.1: A 51 THR OG1 : rot -35:sc= 0.114 USER MOD Set 3.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 46 ASN : amide:sc= 0 X(o=0.39,f=0.27) USER MOD Set 4.2: A 50 SER OG : rot 26:sc= 0.391 USER MOD Set 5.1: A 24 SER OG : rot -21:sc= 1.24 USER MOD Set 5.2: A 27 ASN : amide:sc= -2.22! C(o=-0.98!,f=-7.8!) USER MOD Single : A 1 LYS N :NH3+ -173:sc= 0 (180deg=-0.025) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 177:sc= -11.7! (180deg=-11.9!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.0344 K(o=0.034,f=-1.3!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot -91:sc= -2.2! USER MOD Single : A 37 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 39 ASN : amide:sc= -0.789 K(o=-0.79,f=-4.6!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN :FLIP amide:sc= -1.85! C(o=-2.6!,f=-1.8!) USER MOD Single : A 59 ASN : amide:sc= -5.85! C(o=-5.9!,f=-9.5!) USER MOD Single : A 60 SER OG : rot -108:sc= 0.407 USER MOD Single : A 65 ASN : amide:sc= -0.0125 X(o=-0.012,f=0) USER MOD Single : A 69 THR OG1 : rot 75:sc= 0.051 USER MOD Single : A 72 SER OG : rot 115:sc= 0.59 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot -50:sc= 0.149 USER MOD Single : A 91 SER OG : rot 180:sc= -1.6! USER MOD Single : A 93 ASN : amide:sc= -0.0824 K(o=-0.082,f=-2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -29:sc= 0.127 USER MOD Single : A 103 ASN : amide:sc= -0.398 X(o=-0.4,f=-0.5) USER MOD Single : A 105 MET CE :methyl -158:sc= -1.51 (180deg=-3.67) USER MOD Single : A 106 ASN : amide:sc= -0.878 K(o=-0.88,f=-1.9!) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -59:sc= 0.878 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.020 -10.269 1.724 1.00 0.00 N ATOM 2 CA LYS A 1 -5.790 -10.884 1.160 1.00 0.00 C ATOM 3 C LYS A 1 -4.687 -9.846 0.983 1.00 0.00 C ATOM 4 O LYS A 1 -4.773 -8.978 0.116 1.00 0.00 O ATOM 5 CB LYS A 1 -6.137 -11.521 -0.187 1.00 0.00 C ATOM 6 CG LYS A 1 -7.121 -12.675 -0.079 1.00 0.00 C ATOM 7 CD LYS A 1 -7.143 -13.509 -1.349 1.00 0.00 C ATOM 8 CE LYS A 1 -8.444 -13.327 -2.113 1.00 0.00 C ATOM 9 NZ LYS A 1 -9.160 -14.617 -2.307 1.00 0.00 N ATOM 0 H1 LYS A 1 -7.711 -11.014 1.945 1.00 0.00 H new ATOM 0 H2 LYS A 1 -6.781 -9.750 2.593 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.429 -9.612 1.030 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.420 -11.642 1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.555 -10.758 -0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.221 -11.878 -0.657 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -6.851 -13.306 0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.120 -12.286 0.119 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.304 -13.227 -1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.012 -14.561 -1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.088 -12.632 -1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.235 -12.879 -3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -10.042 -14.449 -2.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -8.556 -15.272 -2.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -9.383 -15.033 -1.380 1.00 0.00 H new ATOM 25 N VAL A 2 -3.655 -9.941 1.815 1.00 0.00 N ATOM 26 CA VAL A 2 -2.532 -9.010 1.758 1.00 0.00 C ATOM 27 C VAL A 2 -1.314 -9.660 1.105 1.00 0.00 C ATOM 28 O VAL A 2 -1.004 -10.819 1.378 1.00 0.00 O ATOM 29 CB VAL A 2 -2.146 -8.524 3.174 1.00 0.00 C ATOM 30 CG1 VAL A 2 -0.851 -7.729 3.149 1.00 0.00 C ATOM 31 CG2 VAL A 2 -3.262 -7.690 3.780 1.00 0.00 C ATOM 0 H VAL A 2 -3.572 -10.655 2.539 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.848 -8.157 1.158 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.992 -9.406 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.606 -7.401 4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.046 -8.356 2.766 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -0.971 -6.859 2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.969 -7.359 4.776 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.450 -6.821 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.169 -8.291 3.850 1.00 0.00 H new ATOM 41 N PHE A 3 -0.603 -8.902 0.267 1.00 0.00 N ATOM 42 CA PHE A 3 0.597 -9.412 -0.384 1.00 0.00 C ATOM 43 C PHE A 3 1.764 -9.398 0.592 1.00 0.00 C ATOM 44 O PHE A 3 1.666 -8.847 1.688 1.00 0.00 O ATOM 45 CB PHE A 3 0.981 -8.549 -1.588 1.00 0.00 C ATOM 46 CG PHE A 3 0.012 -8.582 -2.729 1.00 0.00 C ATOM 47 CD1 PHE A 3 -0.524 -9.775 -3.182 1.00 0.00 C ATOM 48 CD2 PHE A 3 -0.348 -7.406 -3.363 1.00 0.00 C ATOM 49 CE1 PHE A 3 -1.402 -9.793 -4.247 1.00 0.00 C ATOM 50 CE2 PHE A 3 -1.226 -7.417 -4.425 1.00 0.00 C ATOM 51 CZ PHE A 3 -1.754 -8.611 -4.870 1.00 0.00 C ATOM 0 H PHE A 3 -0.839 -7.939 0.027 1.00 0.00 H new ATOM 0 HA PHE A 3 0.383 -10.428 -0.716 1.00 0.00 H new ATOM 0 HB2 PHE A 3 1.091 -7.517 -1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 3 1.957 -8.873 -1.951 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -0.253 -10.701 -2.697 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.064 -6.468 -3.021 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -1.813 -10.730 -4.593 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -1.501 -6.491 -4.909 1.00 0.00 H new ATOM 0 HZ PHE A 3 -2.441 -8.622 -5.703 1.00 0.00 H new ATOM 61 N GLY A 4 2.876 -9.981 0.174 1.00 0.00 N ATOM 62 CA GLY A 4 4.061 -10.000 1.006 1.00 0.00 C ATOM 63 C GLY A 4 4.993 -8.858 0.657 1.00 0.00 C ATOM 64 O GLY A 4 4.551 -7.830 0.142 1.00 0.00 O ATOM 0 H GLY A 4 2.980 -10.443 -0.729 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.773 -9.931 2.055 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.582 -10.949 0.880 1.00 0.00 H new ATOM 68 N ARG A 5 6.281 -9.029 0.925 1.00 0.00 N ATOM 69 CA ARG A 5 7.259 -7.991 0.619 1.00 0.00 C ATOM 70 C ARG A 5 7.829 -8.174 -0.778 1.00 0.00 C ATOM 71 O ARG A 5 7.767 -7.263 -1.604 1.00 0.00 O ATOM 72 CB ARG A 5 8.385 -7.985 1.655 1.00 0.00 C ATOM 73 CG ARG A 5 8.855 -9.375 2.054 1.00 0.00 C ATOM 74 CD ARG A 5 9.943 -9.312 3.114 1.00 0.00 C ATOM 75 NE ARG A 5 11.168 -9.980 2.681 1.00 0.00 N ATOM 76 CZ ARG A 5 12.346 -9.817 3.276 1.00 0.00 C ATOM 77 NH1 ARG A 5 12.459 -9.012 4.325 1.00 0.00 N ATOM 78 NH2 ARG A 5 13.413 -10.460 2.822 1.00 0.00 N ATOM 0 H ARG A 5 6.672 -9.870 1.350 1.00 0.00 H new ATOM 0 HA ARG A 5 6.747 -7.029 0.657 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.231 -7.426 1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 5 8.045 -7.456 2.545 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.010 -9.951 2.432 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.231 -9.899 1.176 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.161 -8.270 3.348 1.00 0.00 H new ATOM 0 HD3 ARG A 5 9.582 -9.776 4.032 1.00 0.00 H new ATOM 0 HE ARG A 5 11.117 -10.606 1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.641 -8.516 4.678 1.00 0.00 H new ATOM 0 HH12 ARG A 5 13.364 -8.890 4.779 1.00 0.00 H new ATOM 0 HH21 ARG A 5 13.330 -11.080 2.016 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.316 -10.335 3.279 1.00 0.00 H new ATOM 92 N CYS A 6 8.382 -9.349 -1.044 1.00 0.00 N ATOM 93 CA CYS A 6 8.954 -9.621 -2.350 1.00 0.00 C ATOM 94 C CYS A 6 7.885 -10.069 -3.331 1.00 0.00 C ATOM 95 O CYS A 6 7.941 -9.721 -4.503 1.00 0.00 O ATOM 96 CB CYS A 6 10.049 -10.670 -2.262 1.00 0.00 C ATOM 97 SG CYS A 6 11.080 -10.549 -0.766 1.00 0.00 S ATOM 0 H CYS A 6 8.445 -10.120 -0.379 1.00 0.00 H new ATOM 0 HA CYS A 6 9.393 -8.692 -2.713 1.00 0.00 H new ATOM 0 HB2 CYS A 6 9.593 -11.659 -2.296 1.00 0.00 H new ATOM 0 HB3 CYS A 6 10.690 -10.584 -3.139 1.00 0.00 H new ATOM 102 N GLU A 7 6.907 -10.833 -2.852 1.00 0.00 N ATOM 103 CA GLU A 7 5.830 -11.296 -3.719 1.00 0.00 C ATOM 104 C GLU A 7 5.343 -10.136 -4.574 1.00 0.00 C ATOM 105 O GLU A 7 5.318 -10.214 -5.807 1.00 0.00 O ATOM 106 CB GLU A 7 4.678 -11.867 -2.890 1.00 0.00 C ATOM 107 CG GLU A 7 4.081 -13.138 -3.474 1.00 0.00 C ATOM 108 CD GLU A 7 4.641 -14.392 -2.832 1.00 0.00 C ATOM 109 OE1 GLU A 7 5.823 -14.709 -3.082 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.898 -15.058 -2.081 1.00 0.00 O ATOM 0 H GLU A 7 6.838 -11.141 -1.882 1.00 0.00 H new ATOM 0 HA GLU A 7 6.206 -12.090 -4.364 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.035 -12.073 -1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.895 -11.114 -2.804 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.999 -13.120 -3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.273 -13.166 -4.547 1.00 0.00 H new ATOM 117 N LEU A 8 4.990 -9.044 -3.908 1.00 0.00 N ATOM 118 CA LEU A 8 4.541 -7.856 -4.603 1.00 0.00 C ATOM 119 C LEU A 8 5.684 -7.246 -5.402 1.00 0.00 C ATOM 120 O LEU A 8 5.464 -6.756 -6.506 1.00 0.00 O ATOM 121 CB LEU A 8 3.986 -6.813 -3.629 1.00 0.00 C ATOM 122 CG LEU A 8 3.846 -5.404 -4.219 1.00 0.00 C ATOM 123 CD1 LEU A 8 2.613 -5.311 -5.104 1.00 0.00 C ATOM 124 CD2 LEU A 8 3.790 -4.358 -3.117 1.00 0.00 C ATOM 0 H LEU A 8 5.007 -8.961 -2.892 1.00 0.00 H new ATOM 0 HA LEU A 8 3.741 -8.155 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.009 -7.145 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.638 -6.765 -2.757 1.00 0.00 H new ATOM 0 HG LEU A 8 4.725 -5.207 -4.832 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.533 -4.303 -5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.697 -6.028 -5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.724 -5.535 -4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.691 -3.367 -3.560 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.933 -4.554 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.706 -4.401 -2.527 1.00 0.00 H new ATOM 136 N ALA A 9 6.909 -7.283 -4.853 1.00 0.00 N ATOM 137 CA ALA A 9 8.062 -6.720 -5.552 1.00 0.00 C ATOM 138 C ALA A 9 8.277 -7.397 -6.898 1.00 0.00 C ATOM 139 O ALA A 9 8.340 -6.731 -7.929 1.00 0.00 O ATOM 140 CB ALA A 9 9.313 -6.817 -4.702 1.00 0.00 C ATOM 0 H ALA A 9 7.119 -7.691 -3.942 1.00 0.00 H new ATOM 0 HA ALA A 9 7.853 -5.666 -5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.156 -6.391 -5.246 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.165 -6.267 -3.773 1.00 0.00 H new ATOM 0 HB3 ALA A 9 9.519 -7.863 -4.475 1.00 0.00 H new ATOM 146 N ALA A 10 8.376 -8.724 -6.888 1.00 0.00 N ATOM 147 CA ALA A 10 8.560 -9.474 -8.118 1.00 0.00 C ATOM 148 C ALA A 10 7.512 -9.044 -9.127 1.00 0.00 C ATOM 149 O ALA A 10 7.797 -8.895 -10.315 1.00 0.00 O ATOM 150 CB ALA A 10 8.471 -10.969 -7.853 1.00 0.00 C ATOM 0 H ALA A 10 8.332 -9.296 -6.044 1.00 0.00 H new ATOM 0 HA ALA A 10 9.551 -9.267 -8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.611 -11.513 -8.787 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.246 -11.260 -7.144 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.492 -11.207 -7.438 1.00 0.00 H new ATOM 156 N ALA A 11 6.295 -8.821 -8.634 1.00 0.00 N ATOM 157 CA ALA A 11 5.207 -8.379 -9.489 1.00 0.00 C ATOM 158 C ALA A 11 5.501 -7.003 -10.048 1.00 0.00 C ATOM 159 O ALA A 11 5.209 -6.704 -11.206 1.00 0.00 O ATOM 160 CB ALA A 11 3.888 -8.391 -8.734 1.00 0.00 C ATOM 0 H ALA A 11 6.043 -8.940 -7.653 1.00 0.00 H new ATOM 0 HA ALA A 11 5.119 -9.074 -10.324 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.088 -8.056 -9.394 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.675 -9.403 -8.390 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.954 -7.722 -7.876 1.00 0.00 H new ATOM 166 N MET A 12 6.092 -6.181 -9.209 1.00 0.00 N ATOM 167 CA MET A 12 6.461 -4.818 -9.588 1.00 0.00 C ATOM 168 C MET A 12 7.403 -4.841 -10.782 1.00 0.00 C ATOM 169 O MET A 12 7.172 -4.165 -11.785 1.00 0.00 O ATOM 170 CB MET A 12 7.149 -4.087 -8.435 1.00 0.00 C ATOM 171 CG MET A 12 6.470 -4.257 -7.092 1.00 0.00 C ATOM 172 SD MET A 12 4.771 -3.662 -7.096 1.00 0.00 S ATOM 173 CE MET A 12 5.047 -1.916 -7.360 1.00 0.00 C ATOM 0 H MET A 12 6.333 -6.428 -8.249 1.00 0.00 H new ATOM 0 HA MET A 12 5.542 -4.290 -9.845 1.00 0.00 H new ATOM 0 HB2 MET A 12 8.176 -4.443 -8.357 1.00 0.00 H new ATOM 0 HB3 MET A 12 7.197 -3.024 -8.672 1.00 0.00 H new ATOM 0 HG2 MET A 12 6.481 -5.311 -6.814 1.00 0.00 H new ATOM 0 HG3 MET A 12 7.037 -3.720 -6.332 1.00 0.00 H new ATOM 0 HE1 MET A 12 4.088 -1.404 -7.442 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.607 -1.505 -6.520 1.00 0.00 H new ATOM 0 HE3 MET A 12 5.615 -1.772 -8.279 1.00 0.00 H new ATOM 183 N LYS A 13 8.467 -5.631 -10.659 1.00 0.00 N ATOM 184 CA LYS A 13 9.456 -5.756 -11.722 1.00 0.00 C ATOM 185 C LYS A 13 8.768 -6.075 -13.038 1.00 0.00 C ATOM 186 O LYS A 13 9.044 -5.453 -14.064 1.00 0.00 O ATOM 187 CB LYS A 13 10.472 -6.847 -11.382 1.00 0.00 C ATOM 188 CG LYS A 13 11.756 -6.758 -12.190 1.00 0.00 C ATOM 189 CD LYS A 13 12.276 -8.136 -12.564 1.00 0.00 C ATOM 190 CE LYS A 13 12.670 -8.203 -14.031 1.00 0.00 C ATOM 191 NZ LYS A 13 13.701 -9.247 -14.282 1.00 0.00 N ATOM 0 H LYS A 13 8.665 -6.194 -9.832 1.00 0.00 H new ATOM 0 HA LYS A 13 9.985 -4.808 -11.819 1.00 0.00 H new ATOM 0 HB2 LYS A 13 10.716 -6.787 -10.321 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.015 -7.822 -11.549 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.578 -6.177 -13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.513 -6.226 -11.614 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.137 -8.382 -11.943 1.00 0.00 H new ATOM 0 HD3 LYS A 13 11.510 -8.884 -12.357 1.00 0.00 H new ATOM 0 HE2 LYS A 13 11.787 -8.412 -14.635 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.051 -7.233 -14.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 13.942 -9.261 -15.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.553 -9.034 -13.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.329 -10.177 -14.002 1.00 0.00 H new ATOM 205 N ARG A 14 7.860 -7.041 -12.995 1.00 0.00 N ATOM 206 CA ARG A 14 7.117 -7.437 -14.178 1.00 0.00 C ATOM 207 C ARG A 14 6.274 -6.273 -14.676 1.00 0.00 C ATOM 208 O ARG A 14 6.145 -6.057 -15.880 1.00 0.00 O ATOM 209 CB ARG A 14 6.225 -8.642 -13.874 1.00 0.00 C ATOM 210 CG ARG A 14 6.154 -9.649 -15.009 1.00 0.00 C ATOM 211 CD ARG A 14 4.761 -10.245 -15.138 1.00 0.00 C ATOM 212 NE ARG A 14 4.787 -11.705 -15.118 1.00 0.00 N ATOM 213 CZ ARG A 14 4.755 -12.428 -14.002 1.00 0.00 C ATOM 214 NH1 ARG A 14 4.699 -11.827 -12.821 1.00 0.00 N ATOM 215 NH2 ARG A 14 4.781 -13.752 -14.067 1.00 0.00 N ATOM 0 H ARG A 14 7.622 -7.563 -12.152 1.00 0.00 H new ATOM 0 HA ARG A 14 7.826 -7.721 -14.956 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.596 -9.142 -12.979 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.218 -8.290 -13.648 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.432 -9.164 -15.945 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.877 -10.446 -14.836 1.00 0.00 H new ATOM 0 HD2 ARG A 14 4.135 -9.882 -14.323 1.00 0.00 H new ATOM 0 HD3 ARG A 14 4.305 -9.903 -16.067 1.00 0.00 H new ATOM 0 HE ARG A 14 4.832 -12.198 -16.010 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.680 -10.809 -12.767 1.00 0.00 H new ATOM 0 HH12 ARG A 14 4.675 -12.383 -11.966 1.00 0.00 H new ATOM 0 HH21 ARG A 14 4.826 -14.217 -14.974 1.00 0.00 H new ATOM 0 HH22 ARG A 14 4.756 -14.305 -13.210 1.00 0.00 H new ATOM 229 N HIS A 15 5.674 -5.541 -13.739 1.00 0.00 N ATOM 230 CA HIS A 15 4.813 -4.419 -14.079 1.00 0.00 C ATOM 231 C HIS A 15 5.614 -3.188 -14.487 1.00 0.00 C ATOM 232 O HIS A 15 5.036 -2.195 -14.930 1.00 0.00 O ATOM 233 CB HIS A 15 3.914 -4.075 -12.891 1.00 0.00 C ATOM 234 CG HIS A 15 2.617 -4.822 -12.882 1.00 0.00 C ATOM 235 ND1 HIS A 15 2.037 -5.309 -11.730 1.00 0.00 N ATOM 236 CD2 HIS A 15 1.782 -5.165 -13.893 1.00 0.00 C ATOM 237 CE1 HIS A 15 0.904 -5.918 -12.031 1.00 0.00 C ATOM 238 NE2 HIS A 15 0.727 -5.845 -13.337 1.00 0.00 N ATOM 0 H HIS A 15 5.771 -5.708 -12.738 1.00 0.00 H new ATOM 0 HA HIS A 15 4.205 -4.719 -14.932 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.451 -4.287 -11.967 1.00 0.00 H new ATOM 0 HB3 HIS A 15 3.707 -3.005 -12.901 1.00 0.00 H new ATOM 0 HD1 HIS A 15 2.423 -5.214 -10.791 1.00 0.00 H new ATOM 0 HD2 HIS A 15 1.921 -4.944 -14.941 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.236 -6.394 -11.328 1.00 0.00 H new ATOM 247 N GLY A 16 6.941 -3.257 -14.393 1.00 0.00 N ATOM 248 CA GLY A 16 7.767 -2.143 -14.819 1.00 0.00 C ATOM 249 C GLY A 16 7.853 -0.984 -13.843 1.00 0.00 C ATOM 250 O GLY A 16 8.139 0.136 -14.264 1.00 0.00 O ATOM 0 H GLY A 16 7.455 -4.061 -14.031 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.775 -2.512 -15.008 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.381 -1.769 -15.767 1.00 0.00 H new ATOM 254 N LEU A 17 7.613 -1.208 -12.549 1.00 0.00 N ATOM 255 CA LEU A 17 7.691 -0.102 -11.601 1.00 0.00 C ATOM 256 C LEU A 17 9.101 0.063 -11.067 1.00 0.00 C ATOM 257 O LEU A 17 9.402 1.014 -10.350 1.00 0.00 O ATOM 258 CB LEU A 17 6.713 -0.283 -10.436 1.00 0.00 C ATOM 259 CG LEU A 17 5.334 -0.858 -10.781 1.00 0.00 C ATOM 260 CD1 LEU A 17 4.272 -0.237 -9.890 1.00 0.00 C ATOM 261 CD2 LEU A 17 4.972 -0.632 -12.245 1.00 0.00 C ATOM 0 H LEU A 17 7.371 -2.113 -12.146 1.00 0.00 H new ATOM 0 HA LEU A 17 7.412 0.800 -12.145 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.179 -0.935 -9.698 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.568 0.686 -9.959 1.00 0.00 H new ATOM 0 HG LEU A 17 5.377 -1.934 -10.610 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.296 -0.652 -10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.499 -0.455 -8.847 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.257 0.843 -10.040 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.988 -1.055 -12.446 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.957 0.437 -12.455 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.712 -1.117 -12.882 1.00 0.00 H new ATOM 273 N ASP A 18 9.961 -0.864 -11.427 1.00 0.00 N ATOM 274 CA ASP A 18 11.349 -0.819 -10.983 1.00 0.00 C ATOM 275 C ASP A 18 12.112 0.291 -11.705 1.00 0.00 C ATOM 276 O ASP A 18 12.623 0.105 -12.810 1.00 0.00 O ATOM 277 CB ASP A 18 12.028 -2.176 -11.185 1.00 0.00 C ATOM 278 CG ASP A 18 13.526 -2.062 -11.393 1.00 0.00 C ATOM 279 OD1 ASP A 18 14.220 -1.597 -10.465 1.00 0.00 O ATOM 280 OD2 ASP A 18 14.004 -2.436 -12.484 1.00 0.00 O ATOM 0 H ASP A 18 9.731 -1.658 -12.024 1.00 0.00 H new ATOM 0 HA ASP A 18 11.360 -0.595 -9.916 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.834 -2.806 -10.317 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.584 -2.674 -12.047 1.00 0.00 H new ATOM 285 N ASN A 19 12.172 1.447 -11.052 1.00 0.00 N ATOM 286 CA ASN A 19 12.859 2.623 -11.578 1.00 0.00 C ATOM 287 C ASN A 19 12.184 3.145 -12.825 1.00 0.00 C ATOM 288 O ASN A 19 12.836 3.659 -13.736 1.00 0.00 O ATOM 289 CB ASN A 19 14.333 2.318 -11.852 1.00 0.00 C ATOM 290 CG ASN A 19 15.242 3.473 -11.478 1.00 0.00 C ATOM 291 OD1 ASN A 19 15.818 3.498 -10.391 1.00 0.00 O ATOM 292 ND2 ASN A 19 15.376 4.437 -12.382 1.00 0.00 N ATOM 0 H ASN A 19 11.744 1.596 -10.138 1.00 0.00 H new ATOM 0 HA ASN A 19 12.804 3.402 -10.817 1.00 0.00 H new ATOM 0 HB2 ASN A 19 14.628 1.431 -11.291 1.00 0.00 H new ATOM 0 HB3 ASN A 19 14.463 2.085 -12.909 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.976 5.239 -12.187 1.00 0.00 H new ATOM 0 HD22 ASN A 19 14.879 4.375 -13.271 1.00 0.00 H new ATOM 299 N TYR A 20 10.868 3.045 -12.843 1.00 0.00 N ATOM 300 CA TYR A 20 10.098 3.545 -13.962 1.00 0.00 C ATOM 301 C TYR A 20 10.216 5.054 -13.955 1.00 0.00 C ATOM 302 O TYR A 20 10.727 5.607 -12.982 1.00 0.00 O ATOM 303 CB TYR A 20 8.632 3.120 -13.841 1.00 0.00 C ATOM 304 CG TYR A 20 7.796 3.451 -15.056 1.00 0.00 C ATOM 305 CD1 TYR A 20 7.987 2.785 -16.260 1.00 0.00 C ATOM 306 CD2 TYR A 20 6.813 4.431 -14.998 1.00 0.00 C ATOM 307 CE1 TYR A 20 7.223 3.085 -17.372 1.00 0.00 C ATOM 308 CE2 TYR A 20 6.043 4.737 -16.105 1.00 0.00 C ATOM 309 CZ TYR A 20 6.253 4.062 -17.289 1.00 0.00 C ATOM 310 OH TYR A 20 5.491 4.365 -18.394 1.00 0.00 O ATOM 0 H TYR A 20 10.313 2.624 -12.098 1.00 0.00 H new ATOM 0 HA TYR A 20 10.478 3.136 -14.898 1.00 0.00 H new ATOM 0 HB2 TYR A 20 8.589 2.045 -13.664 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.194 3.604 -12.968 1.00 0.00 H new ATOM 0 HD1 TYR A 20 8.746 2.019 -16.328 1.00 0.00 H new ATOM 0 HD2 TYR A 20 6.647 4.963 -14.073 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.385 2.558 -18.300 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.281 5.500 -16.043 1.00 0.00 H new ATOM 0 HH TYR A 20 4.853 5.074 -18.167 1.00 0.00 H new ATOM 320 N ARG A 21 9.785 5.714 -15.031 1.00 0.00 N ATOM 321 CA ARG A 21 9.871 7.168 -15.121 1.00 0.00 C ATOM 322 C ARG A 21 9.867 7.788 -13.726 1.00 0.00 C ATOM 323 O ARG A 21 10.569 8.764 -13.459 1.00 0.00 O ATOM 324 CB ARG A 21 8.704 7.721 -15.943 1.00 0.00 C ATOM 325 CG ARG A 21 9.051 8.981 -16.720 1.00 0.00 C ATOM 326 CD ARG A 21 9.148 8.706 -18.211 1.00 0.00 C ATOM 327 NE ARG A 21 10.533 8.608 -18.662 1.00 0.00 N ATOM 328 CZ ARG A 21 11.207 7.464 -18.731 1.00 0.00 C ATOM 329 NH1 ARG A 21 10.626 6.325 -18.380 1.00 0.00 N ATOM 330 NH2 ARG A 21 12.465 7.458 -19.150 1.00 0.00 N ATOM 0 H ARG A 21 9.374 5.264 -15.849 1.00 0.00 H new ATOM 0 HA ARG A 21 10.805 7.428 -15.618 1.00 0.00 H new ATOM 0 HB2 ARG A 21 8.367 6.955 -16.641 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.869 7.934 -15.276 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.293 9.743 -16.538 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.999 9.382 -16.360 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.625 7.778 -18.443 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.644 9.502 -18.760 1.00 0.00 H new ATOM 0 HE ARG A 21 11.011 9.465 -18.940 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.659 6.325 -18.056 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.146 5.449 -18.434 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.917 8.332 -19.420 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.981 6.580 -19.202 1.00 0.00 H new ATOM 344 N GLY A 22 9.069 7.194 -12.843 1.00 0.00 N ATOM 345 CA GLY A 22 8.971 7.666 -11.480 1.00 0.00 C ATOM 346 C GLY A 22 10.111 7.179 -10.605 1.00 0.00 C ATOM 347 O GLY A 22 11.188 7.776 -10.598 1.00 0.00 O ATOM 0 H GLY A 22 8.484 6.386 -13.054 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.958 8.756 -11.478 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.024 7.335 -11.053 1.00 0.00 H new ATOM 351 N TYR A 23 9.867 6.117 -9.835 1.00 0.00 N ATOM 352 CA TYR A 23 10.891 5.606 -8.929 1.00 0.00 C ATOM 353 C TYR A 23 11.134 4.108 -9.051 1.00 0.00 C ATOM 354 O TYR A 23 10.511 3.416 -9.855 1.00 0.00 O ATOM 355 CB TYR A 23 10.532 5.957 -7.487 1.00 0.00 C ATOM 356 CG TYR A 23 10.780 7.406 -7.136 1.00 0.00 C ATOM 357 CD1 TYR A 23 9.927 8.406 -7.589 1.00 0.00 C ATOM 358 CD2 TYR A 23 11.868 7.776 -6.355 1.00 0.00 C ATOM 359 CE1 TYR A 23 10.150 9.731 -7.272 1.00 0.00 C ATOM 360 CE2 TYR A 23 12.097 9.101 -6.034 1.00 0.00 C ATOM 361 CZ TYR A 23 11.235 10.074 -6.495 1.00 0.00 C ATOM 362 OH TYR A 23 11.461 11.394 -6.177 1.00 0.00 O ATOM 0 H TYR A 23 8.986 5.604 -9.821 1.00 0.00 H new ATOM 0 HA TYR A 23 11.823 6.090 -9.221 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.480 5.726 -7.317 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.110 5.325 -6.813 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.076 8.142 -8.199 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.545 7.017 -5.993 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.477 10.495 -7.631 1.00 0.00 H new ATOM 0 HE2 TYR A 23 12.947 9.373 -5.425 1.00 0.00 H new ATOM 0 HH TYR A 23 12.266 11.464 -5.622 1.00 0.00 H new ATOM 372 N SER A 24 12.081 3.634 -8.236 1.00 0.00 N ATOM 373 CA SER A 24 12.478 2.234 -8.220 1.00 0.00 C ATOM 374 C SER A 24 11.603 1.394 -7.301 1.00 0.00 C ATOM 375 O SER A 24 10.824 1.917 -6.504 1.00 0.00 O ATOM 376 CB SER A 24 13.941 2.110 -7.791 1.00 0.00 C ATOM 377 OG SER A 24 14.098 2.407 -6.415 1.00 0.00 O ATOM 0 H SER A 24 12.591 4.215 -7.571 1.00 0.00 H new ATOM 0 HA SER A 24 12.352 1.852 -9.233 1.00 0.00 H new ATOM 0 HB2 SER A 24 14.297 1.099 -7.990 1.00 0.00 H new ATOM 0 HB3 SER A 24 14.555 2.787 -8.384 1.00 0.00 H new ATOM 0 HG SER A 24 13.338 2.945 -6.108 1.00 0.00 H new ATOM 383 N LEU A 25 11.754 0.081 -7.437 1.00 0.00 N ATOM 384 CA LEU A 25 11.010 -0.891 -6.650 1.00 0.00 C ATOM 385 C LEU A 25 10.894 -0.484 -5.182 1.00 0.00 C ATOM 386 O LEU A 25 9.790 -0.363 -4.654 1.00 0.00 O ATOM 387 CB LEU A 25 11.701 -2.249 -6.764 1.00 0.00 C ATOM 388 CG LEU A 25 11.013 -3.238 -7.691 1.00 0.00 C ATOM 389 CD1 LEU A 25 12.035 -4.150 -8.350 1.00 0.00 C ATOM 390 CD2 LEU A 25 9.985 -4.050 -6.921 1.00 0.00 C ATOM 0 H LEU A 25 12.402 -0.340 -8.103 1.00 0.00 H new ATOM 0 HA LEU A 25 9.995 -0.943 -7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.721 -2.094 -7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 25 11.769 -2.691 -5.770 1.00 0.00 H new ATOM 0 HG LEU A 25 10.498 -2.683 -8.475 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.525 -4.851 -9.010 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.737 -3.551 -8.930 1.00 0.00 H new ATOM 0 HD13 LEU A 25 12.577 -4.703 -7.583 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.499 -4.755 -7.595 1.00 0.00 H new ATOM 0 HD22 LEU A 25 10.480 -4.598 -6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.237 -3.381 -6.495 1.00 0.00 H new ATOM 402 N GLY A 26 12.036 -0.301 -4.526 1.00 0.00 N ATOM 403 CA GLY A 26 12.047 0.067 -3.117 1.00 0.00 C ATOM 404 C GLY A 26 11.022 1.129 -2.756 1.00 0.00 C ATOM 405 O GLY A 26 10.427 1.080 -1.679 1.00 0.00 O ATOM 0 H GLY A 26 12.960 -0.401 -4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.862 -0.824 -2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.041 0.429 -2.853 1.00 0.00 H new ATOM 409 N ASN A 27 10.820 2.093 -3.646 1.00 0.00 N ATOM 410 CA ASN A 27 9.863 3.169 -3.401 1.00 0.00 C ATOM 411 C ASN A 27 8.426 2.657 -3.451 1.00 0.00 C ATOM 412 O ASN A 27 7.565 3.123 -2.705 1.00 0.00 O ATOM 413 CB ASN A 27 10.057 4.295 -4.417 1.00 0.00 C ATOM 414 CG ASN A 27 11.519 4.645 -4.615 1.00 0.00 C ATOM 415 OD1 ASN A 27 12.180 4.113 -5.506 1.00 0.00 O ATOM 416 ND2 ASN A 27 12.030 5.544 -3.782 1.00 0.00 N ATOM 0 H ASN A 27 11.304 2.153 -4.542 1.00 0.00 H new ATOM 0 HA ASN A 27 10.048 3.558 -2.400 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.624 3.998 -5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.516 5.180 -4.083 1.00 0.00 H new ATOM 0 HD21 ASN A 27 13.008 5.819 -3.866 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.444 5.959 -3.058 1.00 0.00 H new ATOM 423 N TRP A 28 8.174 1.692 -4.330 1.00 0.00 N ATOM 424 CA TRP A 28 6.843 1.111 -4.473 1.00 0.00 C ATOM 425 C TRP A 28 6.488 0.246 -3.277 1.00 0.00 C ATOM 426 O TRP A 28 5.362 0.294 -2.781 1.00 0.00 O ATOM 427 CB TRP A 28 6.766 0.297 -5.754 1.00 0.00 C ATOM 428 CG TRP A 28 6.969 1.151 -6.952 1.00 0.00 C ATOM 429 CD1 TRP A 28 8.118 1.297 -7.658 1.00 0.00 C ATOM 430 CD2 TRP A 28 5.999 2.000 -7.569 1.00 0.00 C ATOM 431 NE1 TRP A 28 7.936 2.201 -8.670 1.00 0.00 N ATOM 432 CE2 TRP A 28 6.637 2.643 -8.643 1.00 0.00 C ATOM 433 CE3 TRP A 28 4.654 2.278 -7.314 1.00 0.00 C ATOM 434 CZ2 TRP A 28 5.976 3.551 -9.465 1.00 0.00 C ATOM 435 CZ3 TRP A 28 3.993 3.176 -8.128 1.00 0.00 C ATOM 436 CH2 TRP A 28 4.654 3.805 -9.195 1.00 0.00 C ATOM 0 H TRP A 28 8.875 1.295 -4.955 1.00 0.00 H new ATOM 0 HA TRP A 28 6.120 1.925 -4.522 1.00 0.00 H new ATOM 0 HB2 TRP A 28 7.521 -0.489 -5.733 1.00 0.00 H new ATOM 0 HB3 TRP A 28 5.795 -0.195 -5.816 1.00 0.00 H new ATOM 0 HD1 TRP A 28 9.041 0.776 -7.452 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.650 2.498 -9.336 1.00 0.00 H new ATOM 0 HE3 TRP A 28 4.140 1.799 -6.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.484 4.038 -10.285 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.953 3.398 -7.941 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.112 4.503 -9.816 1.00 0.00 H new ATOM 447 N VAL A 29 7.447 -0.542 -2.810 1.00 0.00 N ATOM 448 CA VAL A 29 7.224 -1.410 -1.667 1.00 0.00 C ATOM 449 C VAL A 29 7.040 -0.594 -0.401 1.00 0.00 C ATOM 450 O VAL A 29 6.099 -0.811 0.356 1.00 0.00 O ATOM 451 CB VAL A 29 8.401 -2.386 -1.479 1.00 0.00 C ATOM 452 CG1 VAL A 29 8.159 -3.308 -0.293 1.00 0.00 C ATOM 453 CG2 VAL A 29 8.634 -3.186 -2.753 1.00 0.00 C ATOM 0 H VAL A 29 8.385 -0.596 -3.206 1.00 0.00 H new ATOM 0 HA VAL A 29 6.316 -1.982 -1.860 1.00 0.00 H new ATOM 0 HB VAL A 29 9.299 -1.805 -1.270 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.004 -3.987 -0.182 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.050 -2.713 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.250 -3.885 -0.460 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.469 -3.871 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.736 -3.755 -2.995 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.864 -2.506 -3.573 1.00 0.00 H new ATOM 463 N CYS A 30 7.947 0.340 -0.178 1.00 0.00 N ATOM 464 CA CYS A 30 7.892 1.194 0.997 1.00 0.00 C ATOM 465 C CYS A 30 6.567 1.954 1.065 1.00 0.00 C ATOM 466 O CYS A 30 5.904 1.976 2.104 1.00 0.00 O ATOM 467 CB CYS A 30 9.060 2.177 0.963 1.00 0.00 C ATOM 468 SG CYS A 30 9.486 2.891 2.579 1.00 0.00 S ATOM 0 H CYS A 30 8.735 0.528 -0.798 1.00 0.00 H new ATOM 0 HA CYS A 30 7.964 0.568 1.886 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.936 1.668 0.562 1.00 0.00 H new ATOM 0 HB3 CYS A 30 8.818 2.986 0.274 1.00 0.00 H new ATOM 473 N ALA A 31 6.192 2.578 -0.051 1.00 0.00 N ATOM 474 CA ALA A 31 4.954 3.347 -0.121 1.00 0.00 C ATOM 475 C ALA A 31 3.728 2.465 0.081 1.00 0.00 C ATOM 476 O ALA A 31 2.820 2.819 0.830 1.00 0.00 O ATOM 477 CB ALA A 31 4.866 4.073 -1.455 1.00 0.00 C ATOM 0 H ALA A 31 6.729 2.565 -0.918 1.00 0.00 H new ATOM 0 HA ALA A 31 4.970 4.077 0.688 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.939 4.644 -1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.714 4.750 -1.558 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.882 3.346 -2.267 1.00 0.00 H new ATOM 483 N ALA A 32 3.702 1.322 -0.596 1.00 0.00 N ATOM 484 CA ALA A 32 2.577 0.397 -0.497 1.00 0.00 C ATOM 485 C ALA A 32 2.491 -0.240 0.886 1.00 0.00 C ATOM 486 O ALA A 32 1.423 -0.269 1.498 1.00 0.00 O ATOM 487 CB ALA A 32 2.687 -0.679 -1.567 1.00 0.00 C ATOM 0 H ALA A 32 4.447 1.013 -1.220 1.00 0.00 H new ATOM 0 HA ALA A 32 1.662 0.968 -0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.843 -1.363 -1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.681 -0.214 -2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.617 -1.232 -1.433 1.00 0.00 H new ATOM 493 N LYS A 33 3.616 -0.764 1.364 1.00 0.00 N ATOM 494 CA LYS A 33 3.676 -1.418 2.667 1.00 0.00 C ATOM 495 C LYS A 33 3.000 -0.588 3.744 1.00 0.00 C ATOM 496 O LYS A 33 2.100 -1.063 4.432 1.00 0.00 O ATOM 497 CB LYS A 33 5.131 -1.674 3.063 1.00 0.00 C ATOM 498 CG LYS A 33 5.281 -2.515 4.320 1.00 0.00 C ATOM 499 CD LYS A 33 5.863 -1.703 5.465 1.00 0.00 C ATOM 500 CE LYS A 33 6.110 -2.568 6.692 1.00 0.00 C ATOM 501 NZ LYS A 33 5.303 -2.119 7.859 1.00 0.00 N ATOM 0 H LYS A 33 4.505 -0.748 0.864 1.00 0.00 H new ATOM 0 HA LYS A 33 3.144 -2.365 2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.640 -2.173 2.239 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.631 -0.717 3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 33 4.309 -2.913 4.611 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.926 -3.369 4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.799 -1.244 5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.181 -0.892 5.721 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.867 -3.605 6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.169 -2.539 6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.500 -2.734 8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.553 -1.138 8.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.292 -2.171 7.622 1.00 0.00 H new ATOM 515 N PHE A 34 3.450 0.645 3.909 1.00 0.00 N ATOM 516 CA PHE A 34 2.886 1.512 4.931 1.00 0.00 C ATOM 517 C PHE A 34 1.516 2.041 4.542 1.00 0.00 C ATOM 518 O PHE A 34 0.743 2.467 5.401 1.00 0.00 O ATOM 519 CB PHE A 34 3.830 2.655 5.241 1.00 0.00 C ATOM 520 CG PHE A 34 4.790 2.358 6.359 1.00 0.00 C ATOM 521 CD1 PHE A 34 4.328 2.132 7.646 1.00 0.00 C ATOM 522 CD2 PHE A 34 6.154 2.307 6.122 1.00 0.00 C ATOM 523 CE1 PHE A 34 5.209 1.860 8.675 1.00 0.00 C ATOM 524 CE2 PHE A 34 7.040 2.035 7.147 1.00 0.00 C ATOM 525 CZ PHE A 34 6.567 1.811 8.426 1.00 0.00 C ATOM 0 H PHE A 34 4.196 1.065 3.355 1.00 0.00 H new ATOM 0 HA PHE A 34 2.756 0.909 5.829 1.00 0.00 H new ATOM 0 HB2 PHE A 34 4.397 2.901 4.343 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.245 3.538 5.500 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.267 2.169 7.847 1.00 0.00 H new ATOM 0 HD2 PHE A 34 6.529 2.482 5.125 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.836 1.686 9.674 1.00 0.00 H new ATOM 0 HE2 PHE A 34 8.101 1.998 6.949 1.00 0.00 H new ATOM 0 HZ PHE A 34 7.257 1.598 9.229 1.00 0.00 H new ATOM 535 N GLU A 35 1.217 2.026 3.253 1.00 0.00 N ATOM 536 CA GLU A 35 -0.060 2.515 2.761 1.00 0.00 C ATOM 537 C GLU A 35 -1.222 1.638 3.212 1.00 0.00 C ATOM 538 O GLU A 35 -2.201 2.126 3.773 1.00 0.00 O ATOM 539 CB GLU A 35 -0.029 2.562 1.236 1.00 0.00 C ATOM 540 CG GLU A 35 -0.205 3.958 0.662 1.00 0.00 C ATOM 541 CD GLU A 35 0.394 4.095 -0.722 1.00 0.00 C ATOM 542 OE1 GLU A 35 -0.310 3.787 -1.706 1.00 0.00 O ATOM 543 OE2 GLU A 35 1.568 4.508 -0.823 1.00 0.00 O ATOM 0 H GLU A 35 1.844 1.679 2.527 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.215 3.512 3.174 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.920 2.153 0.888 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.816 1.917 0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.267 4.199 0.620 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.260 4.683 1.329 1.00 0.00 H new ATOM 550 N SER A 36 -1.127 0.351 2.908 1.00 0.00 N ATOM 551 CA SER A 36 -2.199 -0.588 3.225 1.00 0.00 C ATOM 552 C SER A 36 -1.682 -1.868 3.871 1.00 0.00 C ATOM 553 O SER A 36 -2.419 -2.845 3.987 1.00 0.00 O ATOM 554 CB SER A 36 -2.943 -0.945 1.935 1.00 0.00 C ATOM 555 OG SER A 36 -2.030 -1.308 0.917 1.00 0.00 O ATOM 0 H SER A 36 -0.321 -0.068 2.443 1.00 0.00 H new ATOM 0 HA SER A 36 -2.862 -0.103 3.942 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.633 -1.768 2.123 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.542 -0.095 1.607 1.00 0.00 H new ATOM 0 HG SER A 36 -1.779 -0.512 0.404 1.00 0.00 H new ATOM 561 N ASN A 37 -0.416 -1.875 4.266 1.00 0.00 N ATOM 562 CA ASN A 37 0.173 -3.067 4.865 1.00 0.00 C ATOM 563 C ASN A 37 0.087 -4.214 3.868 1.00 0.00 C ATOM 564 O ASN A 37 0.007 -5.379 4.243 1.00 0.00 O ATOM 565 CB ASN A 37 -0.547 -3.435 6.166 1.00 0.00 C ATOM 566 CG ASN A 37 -0.196 -2.498 7.305 1.00 0.00 C ATOM 567 OD1 ASN A 37 -0.312 -1.279 7.180 1.00 0.00 O ATOM 568 ND2 ASN A 37 0.235 -3.065 8.426 1.00 0.00 N ATOM 0 H ASN A 37 0.217 -1.080 4.184 1.00 0.00 H new ATOM 0 HA ASN A 37 1.217 -2.869 5.108 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.624 -3.414 6.001 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.287 -4.456 6.446 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.485 -2.485 9.227 1.00 0.00 H new ATOM 0 HD22 ASN A 37 0.316 -4.080 8.486 1.00 0.00 H new ATOM 575 N PHE A 38 0.111 -3.839 2.589 1.00 0.00 N ATOM 576 CA PHE A 38 0.044 -4.761 1.466 1.00 0.00 C ATOM 577 C PHE A 38 -1.343 -5.371 1.329 1.00 0.00 C ATOM 578 O PHE A 38 -1.513 -6.409 0.695 1.00 0.00 O ATOM 579 CB PHE A 38 1.127 -5.836 1.572 1.00 0.00 C ATOM 580 CG PHE A 38 2.511 -5.286 1.382 1.00 0.00 C ATOM 581 CD1 PHE A 38 2.770 -4.368 0.376 1.00 0.00 C ATOM 582 CD2 PHE A 38 3.549 -5.675 2.211 1.00 0.00 C ATOM 583 CE1 PHE A 38 4.037 -3.851 0.198 1.00 0.00 C ATOM 584 CE2 PHE A 38 4.820 -5.161 2.038 1.00 0.00 C ATOM 585 CZ PHE A 38 5.064 -4.248 1.029 1.00 0.00 C ATOM 0 H PHE A 38 0.179 -2.862 2.303 1.00 0.00 H new ATOM 0 HA PHE A 38 0.235 -4.192 0.556 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.062 -6.316 2.549 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.941 -6.608 0.825 1.00 0.00 H new ATOM 0 HD1 PHE A 38 1.970 -4.053 -0.277 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.364 -6.388 3.001 1.00 0.00 H new ATOM 0 HE1 PHE A 38 4.224 -3.137 -0.590 1.00 0.00 H new ATOM 0 HE2 PHE A 38 5.622 -5.472 2.691 1.00 0.00 H new ATOM 0 HZ PHE A 38 6.057 -3.846 0.892 1.00 0.00 H new ATOM 595 N ASN A 39 -2.344 -4.697 1.887 1.00 0.00 N ATOM 596 CA ASN A 39 -3.719 -5.165 1.789 1.00 0.00 C ATOM 597 C ASN A 39 -4.307 -4.735 0.455 1.00 0.00 C ATOM 598 O ASN A 39 -4.532 -3.549 0.214 1.00 0.00 O ATOM 599 CB ASN A 39 -4.559 -4.625 2.946 1.00 0.00 C ATOM 600 CG ASN A 39 -5.951 -5.227 2.982 1.00 0.00 C ATOM 601 OD1 ASN A 39 -6.260 -6.153 2.233 1.00 0.00 O ATOM 602 ND2 ASN A 39 -6.800 -4.699 3.857 1.00 0.00 N ATOM 0 H ASN A 39 -2.228 -3.829 2.409 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.728 -6.253 1.850 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.052 -4.834 3.888 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.637 -3.541 2.859 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.751 -5.061 3.927 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.501 -3.932 4.459 1.00 0.00 H new ATOM 609 N THR A 40 -4.523 -5.706 -0.419 1.00 0.00 N ATOM 610 CA THR A 40 -5.049 -5.441 -1.747 1.00 0.00 C ATOM 611 C THR A 40 -6.512 -5.056 -1.662 1.00 0.00 C ATOM 612 O THR A 40 -7.076 -4.467 -2.585 1.00 0.00 O ATOM 613 CB THR A 40 -4.895 -6.677 -2.654 1.00 0.00 C ATOM 614 OG1 THR A 40 -6.071 -7.490 -2.582 1.00 0.00 O ATOM 615 CG2 THR A 40 -3.688 -7.502 -2.236 1.00 0.00 C ATOM 0 H THR A 40 -4.340 -6.691 -0.229 1.00 0.00 H new ATOM 0 HA THR A 40 -4.481 -4.617 -2.178 1.00 0.00 H new ATOM 0 HB THR A 40 -4.752 -6.332 -3.678 1.00 0.00 H new ATOM 0 HG1 THR A 40 -5.964 -8.272 -3.163 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.597 -8.370 -2.889 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.787 -6.894 -2.313 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.814 -7.835 -1.206 1.00 0.00 H new ATOM 623 N GLN A 41 -7.115 -5.411 -0.543 1.00 0.00 N ATOM 624 CA GLN A 41 -8.515 -5.138 -0.294 1.00 0.00 C ATOM 625 C GLN A 41 -8.696 -3.981 0.687 1.00 0.00 C ATOM 626 O GLN A 41 -9.815 -3.679 1.105 1.00 0.00 O ATOM 627 CB GLN A 41 -9.168 -6.401 0.256 1.00 0.00 C ATOM 628 CG GLN A 41 -9.778 -7.292 -0.812 1.00 0.00 C ATOM 629 CD GLN A 41 -11.286 -7.393 -0.696 1.00 0.00 C ATOM 630 OE1 GLN A 41 -11.818 -7.727 0.363 1.00 0.00 O ATOM 631 NE2 GLN A 41 -11.984 -7.105 -1.788 1.00 0.00 N ATOM 0 H GLN A 41 -6.645 -5.898 0.220 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.989 -4.845 -1.231 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.423 -6.972 0.810 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.945 -6.117 0.966 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.518 -6.903 -1.796 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.344 -8.289 -0.739 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.502 -6.832 -2.644 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.003 -7.156 -1.770 1.00 0.00 H new ATOM 640 N ALA A 42 -7.590 -3.346 1.063 1.00 0.00 N ATOM 641 CA ALA A 42 -7.624 -2.236 2.009 1.00 0.00 C ATOM 642 C ALA A 42 -8.337 -1.012 1.446 1.00 0.00 C ATOM 643 O ALA A 42 -8.024 -0.538 0.352 1.00 0.00 O ATOM 644 CB ALA A 42 -6.214 -1.859 2.431 1.00 0.00 C ATOM 0 H ALA A 42 -6.657 -3.582 0.726 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.191 -2.576 2.876 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.255 -1.029 3.137 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.735 -2.716 2.905 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.639 -1.561 1.554 1.00 0.00 H new ATOM 650 N THR A 43 -9.281 -0.495 2.224 1.00 0.00 N ATOM 651 CA THR A 43 -10.041 0.691 1.851 1.00 0.00 C ATOM 652 C THR A 43 -9.932 1.736 2.960 1.00 0.00 C ATOM 653 O THR A 43 -10.020 1.397 4.140 1.00 0.00 O ATOM 654 CB THR A 43 -11.528 0.359 1.618 1.00 0.00 C ATOM 655 OG1 THR A 43 -12.236 0.377 2.864 1.00 0.00 O ATOM 656 CG2 THR A 43 -11.683 -1.006 0.963 1.00 0.00 C ATOM 0 H THR A 43 -9.540 -0.886 3.130 1.00 0.00 H new ATOM 0 HA THR A 43 -9.625 1.078 0.921 1.00 0.00 H new ATOM 0 HB THR A 43 -11.945 1.114 0.952 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.180 0.167 2.707 1.00 0.00 H new ATOM 0 HG21 THR A 43 -12.741 -1.218 0.809 1.00 0.00 H new ATOM 0 HG22 THR A 43 -11.169 -1.009 0.002 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.250 -1.770 1.608 1.00 0.00 H new ATOM 664 N ASN A 44 -9.732 3.000 2.594 1.00 0.00 N ATOM 665 CA ASN A 44 -9.606 4.061 3.593 1.00 0.00 C ATOM 666 C ASN A 44 -10.293 5.344 3.133 1.00 0.00 C ATOM 667 O ASN A 44 -9.773 6.068 2.284 1.00 0.00 O ATOM 668 CB ASN A 44 -8.130 4.338 3.886 1.00 0.00 C ATOM 669 CG ASN A 44 -7.766 4.061 5.331 1.00 0.00 C ATOM 670 OD1 ASN A 44 -7.696 4.975 6.152 1.00 0.00 O ATOM 671 ND2 ASN A 44 -7.531 2.793 5.649 1.00 0.00 N ATOM 0 H ASN A 44 -9.654 3.313 1.626 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.098 3.721 4.504 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -7.511 3.722 3.234 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -7.905 5.378 3.650 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -7.281 2.545 6.606 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -7.601 2.067 4.936 1.00 0.00 H new ATOM 678 N ARG A 45 -11.463 5.619 3.702 1.00 0.00 N ATOM 679 CA ARG A 45 -12.225 6.815 3.350 1.00 0.00 C ATOM 680 C ARG A 45 -11.627 8.061 3.997 1.00 0.00 C ATOM 681 O ARG A 45 -11.217 8.036 5.158 1.00 0.00 O ATOM 682 CB ARG A 45 -13.685 6.656 3.776 1.00 0.00 C ATOM 683 CG ARG A 45 -13.855 6.291 5.242 1.00 0.00 C ATOM 684 CD ARG A 45 -15.190 5.609 5.496 1.00 0.00 C ATOM 685 NE ARG A 45 -15.636 5.776 6.877 1.00 0.00 N ATOM 686 CZ ARG A 45 -16.515 4.973 7.470 1.00 0.00 C ATOM 687 NH1 ARG A 45 -17.039 3.952 6.806 1.00 0.00 N ATOM 688 NH2 ARG A 45 -16.869 5.191 8.729 1.00 0.00 N ATOM 0 H ARG A 45 -11.905 5.031 4.409 1.00 0.00 H new ATOM 0 HA ARG A 45 -12.178 6.937 2.268 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -14.216 7.587 3.578 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -14.152 5.886 3.162 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -13.044 5.631 5.550 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -13.783 7.191 5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -15.941 6.019 4.821 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -15.103 4.546 5.269 1.00 0.00 H new ATOM 0 HE ARG A 45 -15.252 6.552 7.417 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -16.768 3.781 5.838 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -17.713 3.338 7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -16.467 5.975 9.243 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -17.543 4.575 9.183 1.00 0.00 H new ATOM 702 N ASN A 46 -11.585 9.151 3.236 1.00 0.00 N ATOM 703 CA ASN A 46 -11.043 10.414 3.728 1.00 0.00 C ATOM 704 C ASN A 46 -12.150 11.445 3.914 1.00 0.00 C ATOM 705 O ASN A 46 -13.318 11.180 3.626 1.00 0.00 O ATOM 706 CB ASN A 46 -9.986 10.950 2.761 1.00 0.00 C ATOM 707 CG ASN A 46 -9.103 9.851 2.202 1.00 0.00 C ATOM 708 OD1 ASN A 46 -8.256 9.302 2.905 1.00 0.00 O ATOM 709 ND2 ASN A 46 -9.297 9.526 0.929 1.00 0.00 N ATOM 0 H ASN A 46 -11.921 9.185 2.273 1.00 0.00 H new ATOM 0 HA ASN A 46 -10.578 10.229 4.696 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -10.479 11.469 1.939 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -9.366 11.684 3.275 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.732 8.795 0.498 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.011 10.008 0.383 1.00 0.00 H new ATOM 716 N THR A 47 -11.773 12.621 4.403 1.00 0.00 N ATOM 717 CA THR A 47 -12.729 13.697 4.638 1.00 0.00 C ATOM 718 C THR A 47 -12.888 14.587 3.408 1.00 0.00 C ATOM 719 O THR A 47 -13.919 15.239 3.232 1.00 0.00 O ATOM 720 CB THR A 47 -12.308 14.570 5.833 1.00 0.00 C ATOM 721 OG1 THR A 47 -10.967 15.043 5.648 1.00 0.00 O ATOM 722 CG2 THR A 47 -12.398 13.786 7.134 1.00 0.00 C ATOM 0 H THR A 47 -10.810 12.854 4.645 1.00 0.00 H new ATOM 0 HA THR A 47 -13.684 13.219 4.858 1.00 0.00 H new ATOM 0 HB THR A 47 -12.988 15.420 5.890 1.00 0.00 H new ATOM 0 HG1 THR A 47 -10.708 15.599 6.412 1.00 0.00 H new ATOM 0 HG21 THR A 47 -12.096 14.424 7.965 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.424 13.452 7.288 1.00 0.00 H new ATOM 0 HG23 THR A 47 -11.739 12.920 7.083 1.00 0.00 H new ATOM 730 N ASP A 48 -11.865 14.613 2.559 1.00 0.00 N ATOM 731 CA ASP A 48 -11.897 15.428 1.346 1.00 0.00 C ATOM 732 C ASP A 48 -13.013 14.975 0.409 1.00 0.00 C ATOM 733 O ASP A 48 -13.399 15.699 -0.508 1.00 0.00 O ATOM 734 CB ASP A 48 -10.549 15.363 0.626 1.00 0.00 C ATOM 735 CG ASP A 48 -10.102 13.940 0.352 1.00 0.00 C ATOM 736 OD1 ASP A 48 -10.854 13.004 0.695 1.00 0.00 O ATOM 737 OD2 ASP A 48 -8.999 13.762 -0.205 1.00 0.00 O ATOM 0 H ASP A 48 -11.004 14.081 2.687 1.00 0.00 H new ATOM 0 HA ASP A 48 -12.095 16.459 1.639 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.618 15.906 -0.317 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.794 15.867 1.230 1.00 0.00 H new ATOM 742 N GLY A 49 -13.530 13.775 0.651 1.00 0.00 N ATOM 743 CA GLY A 49 -14.602 13.246 -0.174 1.00 0.00 C ATOM 744 C GLY A 49 -14.136 12.154 -1.117 1.00 0.00 C ATOM 745 O GLY A 49 -14.615 12.054 -2.247 1.00 0.00 O ATOM 0 H GLY A 49 -13.226 13.158 1.404 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -15.389 12.852 0.470 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -15.041 14.057 -0.754 1.00 0.00 H new ATOM 749 N SER A 50 -13.204 11.329 -0.652 1.00 0.00 N ATOM 750 CA SER A 50 -12.680 10.234 -1.460 1.00 0.00 C ATOM 751 C SER A 50 -12.368 9.019 -0.595 1.00 0.00 C ATOM 752 O SER A 50 -12.818 8.927 0.547 1.00 0.00 O ATOM 753 CB SER A 50 -11.426 10.674 -2.219 1.00 0.00 C ATOM 754 OG SER A 50 -10.721 11.676 -1.509 1.00 0.00 O ATOM 0 H SER A 50 -12.796 11.398 0.280 1.00 0.00 H new ATOM 0 HA SER A 50 -13.447 9.956 -2.182 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.776 9.814 -2.381 1.00 0.00 H new ATOM 0 HB3 SER A 50 -11.707 11.051 -3.202 1.00 0.00 H new ATOM 0 HG SER A 50 -10.915 11.596 -0.552 1.00 0.00 H new ATOM 760 N THR A 51 -11.596 8.089 -1.147 1.00 0.00 N ATOM 761 CA THR A 51 -11.219 6.877 -0.432 1.00 0.00 C ATOM 762 C THR A 51 -9.995 6.231 -1.072 1.00 0.00 C ATOM 763 O THR A 51 -9.643 6.546 -2.207 1.00 0.00 O ATOM 764 CB THR A 51 -12.374 5.856 -0.416 1.00 0.00 C ATOM 765 OG1 THR A 51 -13.617 6.518 -0.157 1.00 0.00 O ATOM 766 CG2 THR A 51 -12.140 4.783 0.636 1.00 0.00 C ATOM 0 H THR A 51 -11.218 8.153 -2.092 1.00 0.00 H new ATOM 0 HA THR A 51 -10.985 7.166 0.593 1.00 0.00 H new ATOM 0 HB THR A 51 -12.414 5.380 -1.396 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.468 7.264 0.460 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.970 4.076 0.626 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.211 4.256 0.418 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.071 5.247 1.620 1.00 0.00 H new ATOM 774 N ASP A 52 -9.354 5.321 -0.345 1.00 0.00 N ATOM 775 CA ASP A 52 -8.177 4.623 -0.849 1.00 0.00 C ATOM 776 C ASP A 52 -8.475 3.141 -0.990 1.00 0.00 C ATOM 777 O ASP A 52 -8.319 2.373 -0.040 1.00 0.00 O ATOM 778 CB ASP A 52 -6.988 4.836 0.088 1.00 0.00 C ATOM 779 CG ASP A 52 -6.545 6.285 0.140 1.00 0.00 C ATOM 780 OD1 ASP A 52 -6.244 6.853 -0.931 1.00 0.00 O ATOM 781 OD2 ASP A 52 -6.499 6.852 1.252 1.00 0.00 O ATOM 0 H ASP A 52 -9.631 5.049 0.598 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.922 5.028 -1.828 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.256 4.505 1.091 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.154 4.216 -0.241 1.00 0.00 H new ATOM 786 N TYR A 53 -8.922 2.746 -2.177 1.00 0.00 N ATOM 787 CA TYR A 53 -9.259 1.356 -2.429 1.00 0.00 C ATOM 788 C TYR A 53 -8.137 0.617 -3.149 1.00 0.00 C ATOM 789 O TYR A 53 -8.206 0.399 -4.356 1.00 0.00 O ATOM 790 CB TYR A 53 -10.535 1.246 -3.267 1.00 0.00 C ATOM 791 CG TYR A 53 -11.757 1.893 -2.655 1.00 0.00 C ATOM 792 CD1 TYR A 53 -12.338 1.378 -1.504 1.00 0.00 C ATOM 793 CD2 TYR A 53 -12.342 3.007 -3.243 1.00 0.00 C ATOM 794 CE1 TYR A 53 -13.466 1.956 -0.954 1.00 0.00 C ATOM 795 CE2 TYR A 53 -13.468 3.593 -2.697 1.00 0.00 C ATOM 796 CZ TYR A 53 -14.027 3.063 -1.554 1.00 0.00 C ATOM 797 OH TYR A 53 -15.151 3.641 -1.009 1.00 0.00 O ATOM 0 H TYR A 53 -9.058 3.368 -2.974 1.00 0.00 H new ATOM 0 HA TYR A 53 -9.414 0.895 -1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -10.352 1.698 -4.242 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -10.749 0.191 -3.440 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -11.901 0.511 -1.031 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -11.910 3.422 -4.142 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.906 1.543 -0.059 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -13.908 4.462 -3.164 1.00 0.00 H new ATOM 0 HH TYR A 53 -15.418 4.412 -1.552 1.00 0.00 H new ATOM 807 N GLY A 54 -7.089 0.251 -2.429 1.00 0.00 N ATOM 808 CA GLY A 54 -5.999 -0.459 -3.074 1.00 0.00 C ATOM 809 C GLY A 54 -4.751 -0.558 -2.229 1.00 0.00 C ATOM 810 O GLY A 54 -4.576 0.193 -1.269 1.00 0.00 O ATOM 0 H GLY A 54 -6.971 0.426 -1.431 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -6.334 -1.464 -3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -5.754 0.043 -4.010 1.00 0.00 H new ATOM 814 N ILE A 55 -3.860 -1.467 -2.618 1.00 0.00 N ATOM 815 CA ILE A 55 -2.596 -1.633 -1.921 1.00 0.00 C ATOM 816 C ILE A 55 -1.775 -0.372 -2.128 1.00 0.00 C ATOM 817 O ILE A 55 -0.897 -0.035 -1.336 1.00 0.00 O ATOM 818 CB ILE A 55 -1.801 -2.848 -2.445 1.00 0.00 C ATOM 819 CG1 ILE A 55 -0.579 -3.104 -1.560 1.00 0.00 C ATOM 820 CG2 ILE A 55 -1.377 -2.615 -3.889 1.00 0.00 C ATOM 821 CD1 ILE A 55 0.220 -4.323 -1.966 1.00 0.00 C ATOM 0 H ILE A 55 -3.993 -2.096 -3.410 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.801 -1.807 -0.865 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.442 -3.729 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.070 -2.229 -1.589 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.907 -3.223 -0.527 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.817 -3.479 -4.248 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.262 -2.473 -4.510 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.748 -1.726 -3.945 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.070 -4.441 -1.294 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.413 -5.208 -1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.579 -4.199 -2.988 1.00 0.00 H new ATOM 833 N LEU A 56 -2.115 0.333 -3.204 1.00 0.00 N ATOM 834 CA LEU A 56 -1.470 1.586 -3.552 1.00 0.00 C ATOM 835 C LEU A 56 -2.462 2.727 -3.359 1.00 0.00 C ATOM 836 O LEU A 56 -2.181 3.874 -3.703 1.00 0.00 O ATOM 837 CB LEU A 56 -0.969 1.561 -5.005 1.00 0.00 C ATOM 838 CG LEU A 56 0.540 1.785 -5.189 1.00 0.00 C ATOM 839 CD1 LEU A 56 1.029 2.932 -4.317 1.00 0.00 C ATOM 840 CD2 LEU A 56 1.307 0.510 -4.874 1.00 0.00 C ATOM 0 H LEU A 56 -2.846 0.048 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.607 1.733 -2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.232 0.599 -5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -1.503 2.326 -5.568 1.00 0.00 H new ATOM 0 HG LEU A 56 0.721 2.051 -6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.100 3.071 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.503 3.847 -4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.835 2.701 -3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.374 0.685 -5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.115 0.215 -3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.982 -0.285 -5.545 1.00 0.00 H new ATOM 852 N GLN A 57 -3.631 2.390 -2.797 1.00 0.00 N ATOM 853 CA GLN A 57 -4.689 3.362 -2.534 1.00 0.00 C ATOM 854 C GLN A 57 -5.333 3.862 -3.823 1.00 0.00 C ATOM 855 O GLN A 57 -5.083 4.993 -4.243 1.00 0.00 O ATOM 856 CB GLN A 57 -4.140 4.545 -1.731 1.00 0.00 C ATOM 857 CG GLN A 57 -3.570 4.149 -0.380 1.00 0.00 C ATOM 858 CD GLN A 57 -3.393 5.336 0.548 1.00 0.00 C ATOM 859 OE1 GLN A 57 -2.634 6.331 0.099 1.00 0.00 O flip ATOM 860 NE2 GLN A 57 -3.931 5.360 1.654 1.00 0.00 N flip ATOM 0 H GLN A 57 -3.865 1.438 -2.515 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.458 2.856 -1.951 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.363 5.039 -2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.937 5.273 -1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -4.231 3.420 0.090 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.607 3.659 -0.525 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.506 4.574 1.959 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.803 6.166 2.266 1.00 0.00 H new ATOM 869 N ILE A 58 -6.163 3.028 -4.461 1.00 0.00 N ATOM 870 CA ILE A 58 -6.807 3.434 -5.694 1.00 0.00 C ATOM 871 C ILE A 58 -8.085 4.187 -5.392 1.00 0.00 C ATOM 872 O ILE A 58 -9.145 3.588 -5.207 1.00 0.00 O ATOM 873 CB ILE A 58 -7.124 2.227 -6.596 1.00 0.00 C ATOM 874 CG1 ILE A 58 -5.934 1.260 -6.637 1.00 0.00 C ATOM 875 CG2 ILE A 58 -7.483 2.695 -7.999 1.00 0.00 C ATOM 876 CD1 ILE A 58 -4.606 1.935 -6.918 1.00 0.00 C ATOM 0 H ILE A 58 -6.395 2.087 -4.143 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.113 4.084 -6.227 1.00 0.00 H new ATOM 0 HB ILE A 58 -7.981 1.697 -6.179 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.870 0.737 -5.683 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.117 0.506 -7.403 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.705 1.831 -8.625 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.358 3.344 -7.953 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -6.644 3.246 -8.425 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.813 1.187 -6.931 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.650 2.435 -7.886 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.399 2.669 -6.139 1.00 0.00 H new ATOM 888 N ASN A 59 -7.984 5.508 -5.350 1.00 0.00 N ATOM 889 CA ASN A 59 -9.139 6.338 -5.080 1.00 0.00 C ATOM 890 C ASN A 59 -10.132 6.212 -6.218 1.00 0.00 C ATOM 891 O ASN A 59 -9.991 6.865 -7.251 1.00 0.00 O ATOM 892 CB ASN A 59 -8.720 7.798 -4.901 1.00 0.00 C ATOM 893 CG ASN A 59 -9.887 8.697 -4.549 1.00 0.00 C ATOM 894 OD1 ASN A 59 -10.953 8.225 -4.153 1.00 0.00 O ATOM 895 ND2 ASN A 59 -9.692 10.003 -4.691 1.00 0.00 N ATOM 0 H ASN A 59 -7.116 6.022 -5.499 1.00 0.00 H new ATOM 0 HA ASN A 59 -9.608 6.002 -4.155 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -7.966 7.863 -4.116 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.255 8.155 -5.820 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -10.442 10.658 -4.469 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -8.792 10.351 -5.022 1.00 0.00 H new ATOM 902 N SER A 60 -11.136 5.368 -6.030 1.00 0.00 N ATOM 903 CA SER A 60 -12.158 5.158 -7.048 1.00 0.00 C ATOM 904 C SER A 60 -12.908 6.452 -7.359 1.00 0.00 C ATOM 905 O SER A 60 -13.693 6.508 -8.306 1.00 0.00 O ATOM 906 CB SER A 60 -13.145 4.082 -6.593 1.00 0.00 C ATOM 907 OG SER A 60 -14.112 4.619 -5.707 1.00 0.00 O ATOM 0 H SER A 60 -11.266 4.817 -5.182 1.00 0.00 H new ATOM 0 HA SER A 60 -11.658 4.828 -7.958 1.00 0.00 H new ATOM 0 HB2 SER A 60 -13.643 3.650 -7.461 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.605 3.274 -6.100 1.00 0.00 H new ATOM 0 HG SER A 60 -13.938 4.297 -4.798 1.00 0.00 H new ATOM 913 N ARG A 61 -12.662 7.492 -6.564 1.00 0.00 N ATOM 914 CA ARG A 61 -13.317 8.778 -6.769 1.00 0.00 C ATOM 915 C ARG A 61 -12.517 9.645 -7.736 1.00 0.00 C ATOM 916 O ARG A 61 -13.064 10.194 -8.692 1.00 0.00 O ATOM 917 CB ARG A 61 -13.488 9.507 -5.434 1.00 0.00 C ATOM 918 CG ARG A 61 -14.698 10.426 -5.394 1.00 0.00 C ATOM 919 CD ARG A 61 -14.311 11.870 -5.672 1.00 0.00 C ATOM 920 NE ARG A 61 -15.446 12.778 -5.529 1.00 0.00 N ATOM 921 CZ ARG A 61 -15.327 14.065 -5.218 1.00 0.00 C ATOM 922 NH1 ARG A 61 -14.127 14.594 -5.016 1.00 0.00 N ATOM 923 NH2 ARG A 61 -16.408 14.824 -5.108 1.00 0.00 N ATOM 0 H ARG A 61 -12.016 7.467 -5.775 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.300 8.593 -7.201 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.575 8.770 -4.636 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.591 10.092 -5.231 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -15.431 10.096 -6.130 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -15.176 10.358 -4.417 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -13.518 12.171 -4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.908 11.949 -6.682 1.00 0.00 H new ATOM 0 HE ARG A 61 -16.383 12.403 -5.676 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.293 14.013 -5.099 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.039 15.582 -4.778 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -17.332 14.421 -5.262 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.316 15.811 -4.869 1.00 0.00 H new ATOM 937 N TRP A 62 -11.216 9.760 -7.482 1.00 0.00 N ATOM 938 CA TRP A 62 -10.338 10.555 -8.333 1.00 0.00 C ATOM 939 C TRP A 62 -9.800 9.718 -9.488 1.00 0.00 C ATOM 940 O TRP A 62 -9.220 10.250 -10.433 1.00 0.00 O ATOM 941 CB TRP A 62 -9.176 11.123 -7.516 1.00 0.00 C ATOM 942 CG TRP A 62 -9.422 12.517 -7.023 1.00 0.00 C ATOM 943 CD1 TRP A 62 -10.301 12.899 -6.051 1.00 0.00 C ATOM 944 CD2 TRP A 62 -8.781 13.714 -7.478 1.00 0.00 C ATOM 945 NE1 TRP A 62 -10.247 14.260 -5.874 1.00 0.00 N ATOM 946 CE2 TRP A 62 -9.320 14.783 -6.738 1.00 0.00 C ATOM 947 CE3 TRP A 62 -7.803 13.985 -8.439 1.00 0.00 C ATOM 948 CZ2 TRP A 62 -8.914 16.101 -6.930 1.00 0.00 C ATOM 949 CZ3 TRP A 62 -7.401 15.294 -8.628 1.00 0.00 C ATOM 950 CH2 TRP A 62 -7.956 16.337 -7.877 1.00 0.00 C ATOM 0 H TRP A 62 -10.748 9.313 -6.694 1.00 0.00 H new ATOM 0 HA TRP A 62 -10.920 11.380 -8.744 1.00 0.00 H new ATOM 0 HB2 TRP A 62 -8.988 10.471 -6.663 1.00 0.00 H new ATOM 0 HB3 TRP A 62 -8.274 11.115 -8.127 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -10.945 12.229 -5.501 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -10.805 14.794 -5.208 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -7.369 13.187 -9.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -9.340 16.908 -6.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -6.646 15.516 -9.368 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -7.621 17.349 -8.049 1.00 0.00 H new ATOM 961 N TRP A 63 -10.012 8.407 -9.409 1.00 0.00 N ATOM 962 CA TRP A 63 -9.564 7.489 -10.451 1.00 0.00 C ATOM 963 C TRP A 63 -10.612 6.414 -10.700 1.00 0.00 C ATOM 964 O TRP A 63 -11.426 6.116 -9.829 1.00 0.00 O ATOM 965 CB TRP A 63 -8.244 6.807 -10.065 1.00 0.00 C ATOM 966 CG TRP A 63 -7.174 7.748 -9.611 1.00 0.00 C ATOM 967 CD1 TRP A 63 -6.571 7.792 -8.386 1.00 0.00 C ATOM 968 CD2 TRP A 63 -6.575 8.779 -10.388 1.00 0.00 C ATOM 969 NE1 TRP A 63 -5.629 8.795 -8.361 1.00 0.00 N ATOM 970 CE2 TRP A 63 -5.617 9.416 -9.583 1.00 0.00 C ATOM 971 CE3 TRP A 63 -6.764 9.220 -11.692 1.00 0.00 C ATOM 972 CZ2 TRP A 63 -4.846 10.480 -10.049 1.00 0.00 C ATOM 973 CZ3 TRP A 63 -6.008 10.269 -12.155 1.00 0.00 C ATOM 974 CH2 TRP A 63 -5.057 10.894 -11.338 1.00 0.00 C ATOM 0 H TRP A 63 -10.493 7.956 -8.631 1.00 0.00 H new ATOM 0 HA TRP A 63 -9.411 8.077 -11.356 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -8.440 6.087 -9.270 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -7.876 6.243 -10.922 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -6.800 7.136 -7.559 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -5.038 9.036 -7.565 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -7.494 8.745 -12.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.111 10.959 -9.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -6.149 10.618 -13.167 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -4.479 11.717 -11.731 1.00 0.00 H new ATOM 985 N CYS A 64 -10.550 5.814 -11.885 1.00 0.00 N ATOM 986 CA CYS A 64 -11.453 4.735 -12.286 1.00 0.00 C ATOM 987 C CYS A 64 -12.926 5.056 -12.059 1.00 0.00 C ATOM 988 O CYS A 64 -13.299 5.787 -11.145 1.00 0.00 O ATOM 989 CB CYS A 64 -11.087 3.437 -11.553 1.00 0.00 C ATOM 990 SG CYS A 64 -11.874 3.238 -9.916 1.00 0.00 S ATOM 0 H CYS A 64 -9.867 6.063 -12.601 1.00 0.00 H new ATOM 0 HA CYS A 64 -11.321 4.613 -13.361 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -11.365 2.590 -12.180 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -10.005 3.399 -11.428 1.00 0.00 H new ATOM 995 N ASN A 65 -13.765 4.477 -12.909 1.00 0.00 N ATOM 996 CA ASN A 65 -15.207 4.670 -12.815 1.00 0.00 C ATOM 997 C ASN A 65 -15.837 3.543 -12.002 1.00 0.00 C ATOM 998 O ASN A 65 -15.929 2.407 -12.466 1.00 0.00 O ATOM 999 CB ASN A 65 -15.834 4.721 -14.211 1.00 0.00 C ATOM 1000 CG ASN A 65 -17.320 5.018 -14.166 1.00 0.00 C ATOM 1001 OD1 ASN A 65 -18.147 4.149 -14.442 1.00 0.00 O ATOM 1002 ND2 ASN A 65 -17.667 6.253 -13.819 1.00 0.00 N ATOM 0 H ASN A 65 -13.471 3.869 -13.673 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.396 5.619 -12.313 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.331 5.485 -14.805 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -15.672 3.768 -14.714 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.652 6.512 -13.773 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.948 6.942 -13.598 1.00 0.00 H new ATOM 1009 N ASP A 66 -16.259 3.863 -10.784 1.00 0.00 N ATOM 1010 CA ASP A 66 -16.869 2.872 -9.904 1.00 0.00 C ATOM 1011 C ASP A 66 -18.392 2.910 -9.993 1.00 0.00 C ATOM 1012 O ASP A 66 -19.066 1.947 -9.627 1.00 0.00 O ATOM 1013 CB ASP A 66 -16.424 3.103 -8.459 1.00 0.00 C ATOM 1014 CG ASP A 66 -17.014 4.368 -7.864 1.00 0.00 C ATOM 1015 OD1 ASP A 66 -17.194 5.349 -8.614 1.00 0.00 O ATOM 1016 OD2 ASP A 66 -17.295 4.375 -6.647 1.00 0.00 O ATOM 0 H ASP A 66 -16.190 4.799 -10.384 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.536 1.887 -10.230 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.718 2.248 -7.851 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.336 3.161 -8.422 1.00 0.00 H new ATOM 1021 N GLY A 67 -18.930 4.022 -10.486 1.00 0.00 N ATOM 1022 CA GLY A 67 -20.370 4.154 -10.617 1.00 0.00 C ATOM 1023 C GLY A 67 -21.073 4.312 -9.280 1.00 0.00 C ATOM 1024 O GLY A 67 -22.261 4.633 -9.234 1.00 0.00 O ATOM 0 H GLY A 67 -18.395 4.833 -10.797 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.595 5.016 -11.244 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.765 3.276 -11.128 1.00 0.00 H new ATOM 1028 N ARG A 68 -20.343 4.086 -8.193 1.00 0.00 N ATOM 1029 CA ARG A 68 -20.909 4.205 -6.853 1.00 0.00 C ATOM 1030 C ARG A 68 -20.859 5.649 -6.366 1.00 0.00 C ATOM 1031 O ARG A 68 -21.289 5.953 -5.253 1.00 0.00 O ATOM 1032 CB ARG A 68 -20.159 3.297 -5.877 1.00 0.00 C ATOM 1033 CG ARG A 68 -20.112 1.842 -6.313 1.00 0.00 C ATOM 1034 CD ARG A 68 -21.244 1.038 -5.694 1.00 0.00 C ATOM 1035 NE ARG A 68 -22.464 1.104 -6.493 1.00 0.00 N ATOM 1036 CZ ARG A 68 -23.688 1.013 -5.982 1.00 0.00 C ATOM 1037 NH1 ARG A 68 -23.855 0.854 -4.675 1.00 0.00 N ATOM 1038 NH2 ARG A 68 -24.747 1.083 -6.776 1.00 0.00 N ATOM 0 H ARG A 68 -19.359 3.820 -8.213 1.00 0.00 H new ATOM 0 HA ARG A 68 -21.953 3.894 -6.898 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -19.140 3.666 -5.761 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -20.634 3.359 -4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -20.175 1.784 -7.400 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -19.155 1.406 -6.026 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -20.935 -0.002 -5.590 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -21.447 1.412 -4.691 1.00 0.00 H new ATOM 0 HE ARG A 68 -22.372 1.227 -7.501 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -23.043 0.801 -4.060 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -24.795 0.785 -4.286 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -24.624 1.207 -7.781 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -25.685 1.013 -6.382 1.00 0.00 H new ATOM 1052 N THR A 69 -20.330 6.533 -7.205 1.00 0.00 N ATOM 1053 CA THR A 69 -20.222 7.946 -6.860 1.00 0.00 C ATOM 1054 C THR A 69 -20.450 8.829 -8.084 1.00 0.00 C ATOM 1055 O THR A 69 -19.842 8.616 -9.133 1.00 0.00 O ATOM 1056 CB THR A 69 -18.845 8.273 -6.255 1.00 0.00 C ATOM 1057 OG1 THR A 69 -18.327 7.128 -5.565 1.00 0.00 O ATOM 1058 CG2 THR A 69 -18.941 9.448 -5.294 1.00 0.00 C ATOM 0 H THR A 69 -19.969 6.296 -8.129 1.00 0.00 H new ATOM 0 HA THR A 69 -20.994 8.150 -6.118 1.00 0.00 H new ATOM 0 HB THR A 69 -18.171 8.542 -7.068 1.00 0.00 H new ATOM 0 HG1 THR A 69 -18.008 6.470 -6.217 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.956 9.660 -4.879 1.00 0.00 H new ATOM 0 HG22 THR A 69 -19.307 10.325 -5.827 1.00 0.00 H new ATOM 0 HG23 THR A 69 -19.629 9.202 -4.486 1.00 0.00 H new ATOM 1066 N PRO A 70 -21.333 9.837 -7.967 1.00 0.00 N ATOM 1067 CA PRO A 70 -21.635 10.753 -9.072 1.00 0.00 C ATOM 1068 C PRO A 70 -20.470 11.687 -9.384 1.00 0.00 C ATOM 1069 O PRO A 70 -20.532 12.480 -10.326 1.00 0.00 O ATOM 1070 CB PRO A 70 -22.835 11.550 -8.557 1.00 0.00 C ATOM 1071 CG PRO A 70 -22.711 11.503 -7.074 1.00 0.00 C ATOM 1072 CD PRO A 70 -22.103 10.166 -6.751 1.00 0.00 C ATOM 0 HA PRO A 70 -21.830 10.219 -10.002 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -22.816 12.576 -8.924 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -23.775 11.110 -8.890 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.083 12.316 -6.709 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -23.685 11.614 -6.597 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -21.462 10.218 -5.871 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -22.867 9.417 -6.544 1.00 0.00 H new ATOM 1080 N GLY A 71 -19.409 11.589 -8.589 1.00 0.00 N ATOM 1081 CA GLY A 71 -18.246 12.430 -8.795 1.00 0.00 C ATOM 1082 C GLY A 71 -17.121 11.702 -9.506 1.00 0.00 C ATOM 1083 O GLY A 71 -16.077 12.289 -9.787 1.00 0.00 O ATOM 0 H GLY A 71 -19.335 10.941 -7.805 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -18.533 13.305 -9.378 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -17.888 12.792 -7.831 1.00 0.00 H new ATOM 1087 N SER A 72 -17.336 10.420 -9.794 1.00 0.00 N ATOM 1088 CA SER A 72 -16.333 9.606 -10.475 1.00 0.00 C ATOM 1089 C SER A 72 -15.828 10.300 -11.736 1.00 0.00 C ATOM 1090 O SER A 72 -16.524 10.351 -12.751 1.00 0.00 O ATOM 1091 CB SER A 72 -16.914 8.237 -10.831 1.00 0.00 C ATOM 1092 OG SER A 72 -16.005 7.198 -10.513 1.00 0.00 O ATOM 0 H SER A 72 -18.197 9.923 -9.566 1.00 0.00 H new ATOM 0 HA SER A 72 -15.491 9.472 -9.796 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.849 8.084 -10.292 1.00 0.00 H new ATOM 0 HB3 SER A 72 -17.151 8.204 -11.895 1.00 0.00 H new ATOM 0 HG SER A 72 -16.382 6.640 -9.801 1.00 0.00 H new ATOM 1098 N ARG A 73 -14.614 10.835 -11.662 1.00 0.00 N ATOM 1099 CA ARG A 73 -14.012 11.530 -12.793 1.00 0.00 C ATOM 1100 C ARG A 73 -13.657 10.555 -13.910 1.00 0.00 C ATOM 1101 O ARG A 73 -13.838 10.859 -15.091 1.00 0.00 O ATOM 1102 CB ARG A 73 -12.760 12.287 -12.345 1.00 0.00 C ATOM 1103 CG ARG A 73 -13.026 13.736 -11.970 1.00 0.00 C ATOM 1104 CD ARG A 73 -12.776 14.670 -13.143 1.00 0.00 C ATOM 1105 NE ARG A 73 -12.832 16.074 -12.746 1.00 0.00 N ATOM 1106 CZ ARG A 73 -12.054 17.019 -13.265 1.00 0.00 C ATOM 1107 NH1 ARG A 73 -11.164 16.711 -14.199 1.00 0.00 N ATOM 1108 NH2 ARG A 73 -12.167 18.274 -12.851 1.00 0.00 N ATOM 0 H ARG A 73 -14.027 10.800 -10.829 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.743 12.242 -13.178 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.322 11.774 -11.489 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.022 12.258 -13.146 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.057 13.842 -11.632 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.386 14.020 -11.135 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.799 14.454 -13.576 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -13.518 14.483 -13.920 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.506 16.345 -12.030 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.075 15.747 -14.521 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -10.568 17.438 -14.595 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.851 18.515 -12.134 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.570 18.998 -13.250 1.00 0.00 H new ATOM 1122 N ASN A 74 -13.136 9.388 -13.530 1.00 0.00 N ATOM 1123 CA ASN A 74 -12.740 8.366 -14.497 1.00 0.00 C ATOM 1124 C ASN A 74 -11.519 8.839 -15.272 1.00 0.00 C ATOM 1125 O ASN A 74 -11.382 8.584 -16.470 1.00 0.00 O ATOM 1126 CB ASN A 74 -13.891 8.047 -15.456 1.00 0.00 C ATOM 1127 CG ASN A 74 -13.707 6.718 -16.162 1.00 0.00 C ATOM 1128 OD1 ASN A 74 -13.195 5.729 -15.439 1.00 0.00 O flip ATOM 1129 ND2 ASN A 74 -14.023 6.582 -17.343 1.00 0.00 N flip ATOM 0 H ASN A 74 -12.978 9.127 -12.557 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.490 7.453 -13.957 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.829 8.033 -14.901 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -13.972 8.841 -16.198 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.413 7.370 -17.860 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -13.895 5.682 -17.805 1.00 0.00 H new ATOM 1136 N LEU A 75 -10.628 9.513 -14.560 1.00 0.00 N ATOM 1137 CA LEU A 75 -9.395 10.021 -15.120 1.00 0.00 C ATOM 1138 C LEU A 75 -8.553 8.900 -15.657 1.00 0.00 C ATOM 1139 O LEU A 75 -8.078 8.908 -16.794 1.00 0.00 O ATOM 1140 CB LEU A 75 -8.625 10.683 -14.002 1.00 0.00 C ATOM 1141 CG LEU A 75 -8.831 12.190 -13.865 1.00 0.00 C ATOM 1142 CD1 LEU A 75 -8.182 12.711 -12.593 1.00 0.00 C ATOM 1143 CD2 LEU A 75 -8.286 12.919 -15.084 1.00 0.00 C ATOM 0 H LEU A 75 -10.746 9.722 -13.569 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.624 10.714 -15.929 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.904 10.209 -13.061 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -7.563 10.491 -14.153 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.902 12.382 -13.802 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.342 13.787 -12.517 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.626 12.216 -11.729 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -7.112 12.504 -12.619 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -8.443 13.991 -14.967 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -7.219 12.717 -15.182 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.805 12.572 -15.978 1.00 0.00 H new ATOM 1155 N CYS A 76 -8.391 7.945 -14.789 1.00 0.00 N ATOM 1156 CA CYS A 76 -7.627 6.766 -15.055 1.00 0.00 C ATOM 1157 C CYS A 76 -8.346 5.903 -16.082 1.00 0.00 C ATOM 1158 O CYS A 76 -7.720 5.216 -16.890 1.00 0.00 O ATOM 1159 CB CYS A 76 -7.457 6.039 -13.744 1.00 0.00 C ATOM 1160 SG CYS A 76 -5.777 5.416 -13.434 1.00 0.00 S ATOM 0 H CYS A 76 -8.797 7.967 -13.854 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.650 7.011 -15.471 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.736 6.711 -12.932 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -8.152 5.200 -13.717 1.00 0.00 H new ATOM 1165 N ASN A 77 -9.676 5.949 -16.032 1.00 0.00 N ATOM 1166 CA ASN A 77 -10.509 5.176 -16.944 1.00 0.00 C ATOM 1167 C ASN A 77 -10.144 3.706 -16.838 1.00 0.00 C ATOM 1168 O ASN A 77 -9.858 3.044 -17.837 1.00 0.00 O ATOM 1169 CB ASN A 77 -10.332 5.668 -18.383 1.00 0.00 C ATOM 1170 CG ASN A 77 -11.316 5.026 -19.342 1.00 0.00 C ATOM 1171 OD1 ASN A 77 -12.538 4.800 -18.876 1.00 0.00 O flip ATOM 1172 ND2 ASN A 77 -10.981 4.736 -20.491 1.00 0.00 N flip ATOM 0 H ASN A 77 -10.199 6.517 -15.366 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.555 5.307 -16.669 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -10.456 6.751 -18.411 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.316 5.455 -18.714 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.031 4.927 -20.809 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.654 4.305 -21.125 1.00 0.00 H new ATOM 1179 N ILE A 78 -10.131 3.211 -15.608 1.00 0.00 N ATOM 1180 CA ILE A 78 -9.776 1.827 -15.350 1.00 0.00 C ATOM 1181 C ILE A 78 -10.852 1.110 -14.543 1.00 0.00 C ATOM 1182 O ILE A 78 -11.630 1.744 -13.834 1.00 0.00 O ATOM 1183 CB ILE A 78 -8.433 1.737 -14.595 1.00 0.00 C ATOM 1184 CG1 ILE A 78 -8.668 1.509 -13.091 1.00 0.00 C ATOM 1185 CG2 ILE A 78 -7.627 2.999 -14.838 1.00 0.00 C ATOM 1186 CD1 ILE A 78 -7.629 2.148 -12.192 1.00 0.00 C ATOM 0 H ILE A 78 -10.363 3.750 -14.774 1.00 0.00 H new ATOM 0 HA ILE A 78 -9.683 1.338 -16.320 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.868 0.884 -14.972 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.650 1.900 -12.826 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.689 0.437 -12.897 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.679 2.934 -14.304 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -7.435 3.109 -15.905 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -8.187 3.863 -14.479 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -7.871 1.938 -11.150 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -6.646 1.740 -12.426 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.622 3.226 -12.353 1.00 0.00 H new ATOM 1198 N PRO A 79 -10.891 -0.230 -14.610 1.00 0.00 N ATOM 1199 CA PRO A 79 -11.847 -1.019 -13.850 1.00 0.00 C ATOM 1200 C PRO A 79 -11.379 -1.134 -12.403 1.00 0.00 C ATOM 1201 O PRO A 79 -10.367 -1.774 -12.121 1.00 0.00 O ATOM 1202 CB PRO A 79 -11.837 -2.392 -14.541 1.00 0.00 C ATOM 1203 CG PRO A 79 -10.867 -2.281 -15.679 1.00 0.00 C ATOM 1204 CD PRO A 79 -10.001 -1.086 -15.395 1.00 0.00 C ATOM 0 HA PRO A 79 -12.845 -0.581 -13.826 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -11.534 -3.175 -13.846 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -12.832 -2.653 -14.902 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -10.264 -3.185 -15.762 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -11.394 -2.161 -16.626 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -9.104 -1.358 -14.838 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -9.671 -0.597 -16.311 1.00 0.00 H new ATOM 1212 N CYS A 80 -12.101 -0.490 -11.495 1.00 0.00 N ATOM 1213 CA CYS A 80 -11.736 -0.501 -10.086 1.00 0.00 C ATOM 1214 C CYS A 80 -11.690 -1.922 -9.524 1.00 0.00 C ATOM 1215 O CYS A 80 -10.653 -2.365 -9.033 1.00 0.00 O ATOM 1216 CB CYS A 80 -12.711 0.369 -9.292 1.00 0.00 C ATOM 1217 SG CYS A 80 -13.310 1.829 -10.212 1.00 0.00 S ATOM 0 H CYS A 80 -12.942 0.046 -11.710 1.00 0.00 H new ATOM 0 HA CYS A 80 -10.732 -0.088 -9.991 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -13.566 -0.238 -8.995 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -12.223 0.703 -8.376 1.00 0.00 H new ATOM 1222 N SER A 81 -12.814 -2.627 -9.586 1.00 0.00 N ATOM 1223 CA SER A 81 -12.891 -3.994 -9.070 1.00 0.00 C ATOM 1224 C SER A 81 -11.821 -4.900 -9.685 1.00 0.00 C ATOM 1225 O SER A 81 -11.467 -5.928 -9.107 1.00 0.00 O ATOM 1226 CB SER A 81 -14.279 -4.579 -9.337 1.00 0.00 C ATOM 1227 OG SER A 81 -14.685 -4.341 -10.674 1.00 0.00 O ATOM 0 H SER A 81 -13.684 -2.278 -9.987 1.00 0.00 H new ATOM 0 HA SER A 81 -12.711 -3.948 -7.996 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.269 -5.651 -9.142 1.00 0.00 H new ATOM 0 HB3 SER A 81 -15.001 -4.137 -8.650 1.00 0.00 H new ATOM 0 HG SER A 81 -15.574 -4.726 -10.819 1.00 0.00 H new ATOM 1233 N ALA A 82 -11.312 -4.521 -10.854 1.00 0.00 N ATOM 1234 CA ALA A 82 -10.287 -5.314 -11.534 1.00 0.00 C ATOM 1235 C ALA A 82 -8.956 -5.264 -10.787 1.00 0.00 C ATOM 1236 O ALA A 82 -8.014 -5.980 -11.127 1.00 0.00 O ATOM 1237 CB ALA A 82 -10.106 -4.832 -12.964 1.00 0.00 C ATOM 0 H ALA A 82 -11.590 -3.674 -11.350 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.624 -6.350 -11.549 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.340 -5.432 -13.456 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.048 -4.932 -13.504 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.800 -3.786 -12.959 1.00 0.00 H new ATOM 1243 N LEU A 83 -8.890 -4.416 -9.770 1.00 0.00 N ATOM 1244 CA LEU A 83 -7.679 -4.271 -8.970 1.00 0.00 C ATOM 1245 C LEU A 83 -7.841 -4.951 -7.618 1.00 0.00 C ATOM 1246 O LEU A 83 -6.876 -5.108 -6.869 1.00 0.00 O ATOM 1247 CB LEU A 83 -7.335 -2.789 -8.777 1.00 0.00 C ATOM 1248 CG LEU A 83 -7.981 -2.114 -7.564 1.00 0.00 C ATOM 1249 CD1 LEU A 83 -7.001 -2.050 -6.402 1.00 0.00 C ATOM 1250 CD2 LEU A 83 -8.465 -0.719 -7.929 1.00 0.00 C ATOM 0 H LEU A 83 -9.662 -3.816 -9.478 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.861 -4.754 -9.505 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.253 -2.694 -8.690 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.632 -2.245 -9.674 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.840 -2.710 -7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.479 -1.567 -5.549 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -6.699 -3.060 -6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.122 -1.477 -6.698 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -8.922 -0.252 -7.056 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -7.620 -0.116 -8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.201 -0.787 -8.731 1.00 0.00 H new ATOM 1262 N LEU A 84 -9.071 -5.339 -7.303 1.00 0.00 N ATOM 1263 CA LEU A 84 -9.371 -5.987 -6.035 1.00 0.00 C ATOM 1264 C LEU A 84 -9.651 -7.474 -6.223 1.00 0.00 C ATOM 1265 O LEU A 84 -10.526 -8.041 -5.567 1.00 0.00 O ATOM 1266 CB LEU A 84 -10.568 -5.295 -5.388 1.00 0.00 C ATOM 1267 CG LEU A 84 -10.689 -3.810 -5.727 1.00 0.00 C ATOM 1268 CD1 LEU A 84 -12.139 -3.362 -5.679 1.00 0.00 C ATOM 1269 CD2 LEU A 84 -9.835 -2.977 -4.783 1.00 0.00 C ATOM 0 H LEU A 84 -9.879 -5.215 -7.913 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.502 -5.900 -5.383 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -11.480 -5.803 -5.700 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -10.496 -5.405 -4.306 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.324 -3.660 -6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.200 -2.302 -5.924 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.721 -3.935 -6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.538 -3.527 -4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -9.933 -1.922 -5.039 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -10.168 -3.134 -3.757 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -8.791 -3.277 -4.876 1.00 0.00 H new ATOM 1281 N SER A 85 -8.891 -8.102 -7.113 1.00 0.00 N ATOM 1282 CA SER A 85 -9.045 -9.530 -7.376 1.00 0.00 C ATOM 1283 C SER A 85 -7.719 -10.247 -7.204 1.00 0.00 C ATOM 1284 O SER A 85 -7.393 -11.186 -7.933 1.00 0.00 O ATOM 1285 CB SER A 85 -9.609 -9.769 -8.778 1.00 0.00 C ATOM 1286 OG SER A 85 -10.982 -10.116 -8.723 1.00 0.00 O ATOM 0 H SER A 85 -8.163 -7.647 -7.664 1.00 0.00 H new ATOM 0 HA SER A 85 -9.754 -9.935 -6.653 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.482 -8.871 -9.383 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.049 -10.565 -9.268 1.00 0.00 H new ATOM 0 HG SER A 85 -11.319 -10.262 -9.632 1.00 0.00 H new ATOM 1292 N SER A 86 -6.963 -9.764 -6.237 1.00 0.00 N ATOM 1293 CA SER A 86 -5.641 -10.299 -5.920 1.00 0.00 C ATOM 1294 C SER A 86 -4.705 -9.954 -7.053 1.00 0.00 C ATOM 1295 O SER A 86 -3.699 -10.623 -7.292 1.00 0.00 O ATOM 1296 CB SER A 86 -5.696 -11.815 -5.708 1.00 0.00 C ATOM 1297 OG SER A 86 -4.517 -12.285 -5.076 1.00 0.00 O ATOM 0 H SER A 86 -7.245 -8.985 -5.642 1.00 0.00 H new ATOM 0 HA SER A 86 -5.282 -9.856 -4.991 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.564 -12.069 -5.100 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.822 -12.315 -6.668 1.00 0.00 H new ATOM 0 HG SER A 86 -3.732 -11.946 -5.555 1.00 0.00 H new ATOM 1303 N ASP A 87 -5.093 -8.915 -7.770 1.00 0.00 N ATOM 1304 CA ASP A 87 -4.365 -8.447 -8.927 1.00 0.00 C ATOM 1305 C ASP A 87 -4.013 -6.970 -8.796 1.00 0.00 C ATOM 1306 O ASP A 87 -4.901 -6.122 -8.710 1.00 0.00 O ATOM 1307 CB ASP A 87 -5.255 -8.665 -10.139 1.00 0.00 C ATOM 1308 CG ASP A 87 -4.508 -8.543 -11.452 1.00 0.00 C ATOM 1309 OD1 ASP A 87 -3.392 -9.095 -11.553 1.00 0.00 O ATOM 1310 OD2 ASP A 87 -5.039 -7.896 -12.379 1.00 0.00 O ATOM 0 H ASP A 87 -5.930 -8.370 -7.561 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.428 -8.995 -9.024 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.709 -9.654 -10.076 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.068 -7.939 -10.121 1.00 0.00 H new ATOM 1315 N ILE A 88 -2.721 -6.661 -8.789 1.00 0.00 N ATOM 1316 CA ILE A 88 -2.279 -5.277 -8.678 1.00 0.00 C ATOM 1317 C ILE A 88 -2.211 -4.613 -10.042 1.00 0.00 C ATOM 1318 O ILE A 88 -1.943 -3.421 -10.139 1.00 0.00 O ATOM 1319 CB ILE A 88 -0.899 -5.155 -8.002 1.00 0.00 C ATOM 1320 CG1 ILE A 88 -0.049 -6.399 -8.270 1.00 0.00 C ATOM 1321 CG2 ILE A 88 -1.058 -4.919 -6.511 1.00 0.00 C ATOM 1322 CD1 ILE A 88 1.438 -6.150 -8.145 1.00 0.00 C ATOM 0 H ILE A 88 -1.967 -7.345 -8.858 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.019 -4.773 -8.055 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.381 -4.297 -8.431 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.338 -7.185 -7.572 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.265 -6.768 -9.273 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.074 -4.835 -6.049 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.616 -3.997 -6.346 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.598 -5.755 -6.066 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.980 -7.074 -8.348 1.00 0.00 H new ATOM 0 HD12 ILE A 88 1.741 -5.387 -8.862 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.666 -5.810 -7.135 1.00 0.00 H new ATOM 1334 N THR A 89 -2.436 -5.389 -11.098 1.00 0.00 N ATOM 1335 CA THR A 89 -2.386 -4.862 -12.455 1.00 0.00 C ATOM 1336 C THR A 89 -3.195 -3.575 -12.586 1.00 0.00 C ATOM 1337 O THR A 89 -2.677 -2.554 -13.033 1.00 0.00 O ATOM 1338 CB THR A 89 -2.909 -5.889 -13.477 1.00 0.00 C ATOM 1339 OG1 THR A 89 -2.362 -7.183 -13.195 1.00 0.00 O ATOM 1340 CG2 THR A 89 -2.541 -5.477 -14.895 1.00 0.00 C ATOM 0 H THR A 89 -2.654 -6.384 -11.039 1.00 0.00 H new ATOM 0 HA THR A 89 -1.338 -4.648 -12.666 1.00 0.00 H new ATOM 0 HB THR A 89 -3.995 -5.928 -13.396 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.384 -7.126 -13.168 1.00 0.00 H new ATOM 0 HG21 THR A 89 -2.921 -6.217 -15.599 1.00 0.00 H new ATOM 0 HG22 THR A 89 -2.982 -4.505 -15.117 1.00 0.00 H new ATOM 0 HG23 THR A 89 -1.457 -5.413 -14.985 1.00 0.00 H new ATOM 1348 N ALA A 90 -4.470 -3.634 -12.214 1.00 0.00 N ATOM 1349 CA ALA A 90 -5.346 -2.482 -12.308 1.00 0.00 C ATOM 1350 C ALA A 90 -4.905 -1.347 -11.383 1.00 0.00 C ATOM 1351 O ALA A 90 -4.846 -0.187 -11.797 1.00 0.00 O ATOM 1352 CB ALA A 90 -6.781 -2.886 -12.009 1.00 0.00 C ATOM 0 H ALA A 90 -4.916 -4.473 -11.844 1.00 0.00 H new ATOM 0 HA ALA A 90 -5.285 -2.107 -13.330 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.428 -2.012 -12.083 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.104 -3.639 -12.728 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.841 -3.297 -11.001 1.00 0.00 H new ATOM 1358 N SER A 91 -4.589 -1.682 -10.133 1.00 0.00 N ATOM 1359 CA SER A 91 -4.148 -0.685 -9.158 1.00 0.00 C ATOM 1360 C SER A 91 -2.849 -0.029 -9.594 1.00 0.00 C ATOM 1361 O SER A 91 -2.637 1.168 -9.382 1.00 0.00 O ATOM 1362 CB SER A 91 -3.962 -1.331 -7.783 1.00 0.00 C ATOM 1363 OG SER A 91 -4.295 -2.708 -7.816 1.00 0.00 O ATOM 0 H SER A 91 -4.630 -2.635 -9.772 1.00 0.00 H new ATOM 0 HA SER A 91 -4.919 0.083 -9.095 1.00 0.00 H new ATOM 0 HB2 SER A 91 -2.928 -1.212 -7.459 1.00 0.00 H new ATOM 0 HB3 SER A 91 -4.587 -0.820 -7.050 1.00 0.00 H new ATOM 0 HG SER A 91 -4.166 -3.097 -6.926 1.00 0.00 H new ATOM 1369 N VAL A 92 -1.983 -0.816 -10.208 1.00 0.00 N ATOM 1370 CA VAL A 92 -0.713 -0.295 -10.666 1.00 0.00 C ATOM 1371 C VAL A 92 -0.892 0.540 -11.912 1.00 0.00 C ATOM 1372 O VAL A 92 -0.418 1.658 -11.967 1.00 0.00 O ATOM 1373 CB VAL A 92 0.336 -1.383 -10.952 1.00 0.00 C ATOM 1374 CG1 VAL A 92 1.536 -0.769 -11.672 1.00 0.00 C ATOM 1375 CG2 VAL A 92 0.767 -2.067 -9.663 1.00 0.00 C ATOM 0 H VAL A 92 -2.136 -1.806 -10.398 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.341 0.315 -9.843 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.108 -2.141 -11.598 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.276 -1.544 -11.872 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.209 -0.328 -12.614 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.980 0.004 -11.045 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.509 -2.833 -9.888 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.200 -1.330 -8.987 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.099 -2.529 -9.189 1.00 0.00 H new ATOM 1385 N ASN A 93 -1.580 -0.001 -12.908 1.00 0.00 N ATOM 1386 CA ASN A 93 -1.808 0.718 -14.134 1.00 0.00 C ATOM 1387 C ASN A 93 -2.206 2.154 -13.839 1.00 0.00 C ATOM 1388 O ASN A 93 -1.741 3.095 -14.489 1.00 0.00 O ATOM 1389 CB ASN A 93 -2.872 0.011 -14.954 1.00 0.00 C ATOM 1390 CG ASN A 93 -4.061 0.895 -15.281 1.00 0.00 C ATOM 1391 OD1 ASN A 93 -5.032 0.953 -14.526 1.00 0.00 O ATOM 1392 ND2 ASN A 93 -3.991 1.588 -16.411 1.00 0.00 N ATOM 0 H ASN A 93 -1.986 -0.936 -12.882 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.885 0.741 -14.714 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.427 -0.347 -15.883 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.219 -0.866 -14.408 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.761 2.199 -16.683 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.167 1.510 -17.007 1.00 0.00 H new ATOM 1399 N CYS A 94 -3.055 2.312 -12.833 1.00 0.00 N ATOM 1400 CA CYS A 94 -3.506 3.629 -12.431 1.00 0.00 C ATOM 1401 C CYS A 94 -2.345 4.444 -11.882 1.00 0.00 C ATOM 1402 O CYS A 94 -2.156 5.597 -12.267 1.00 0.00 O ATOM 1403 CB CYS A 94 -4.617 3.526 -11.388 1.00 0.00 C ATOM 1404 SG CYS A 94 -5.808 4.898 -11.471 1.00 0.00 S ATOM 0 H CYS A 94 -3.442 1.544 -12.284 1.00 0.00 H new ATOM 0 HA CYS A 94 -3.904 4.135 -13.311 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -5.148 2.584 -11.524 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -4.171 3.500 -10.394 1.00 0.00 H new ATOM 1409 N ALA A 95 -1.564 3.846 -10.982 1.00 0.00 N ATOM 1410 CA ALA A 95 -0.427 4.550 -10.400 1.00 0.00 C ATOM 1411 C ALA A 95 0.668 4.752 -11.433 1.00 0.00 C ATOM 1412 O ALA A 95 1.307 5.795 -11.462 1.00 0.00 O ATOM 1413 CB ALA A 95 0.112 3.832 -9.189 1.00 0.00 C ATOM 0 H ALA A 95 -1.696 2.892 -10.646 1.00 0.00 H new ATOM 0 HA ALA A 95 -0.781 5.528 -10.073 1.00 0.00 H new ATOM 0 HB1 ALA A 95 0.958 4.387 -8.784 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -0.669 3.758 -8.432 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.437 2.832 -9.474 1.00 0.00 H new ATOM 1419 N LYS A 96 0.867 3.762 -12.299 1.00 0.00 N ATOM 1420 CA LYS A 96 1.860 3.872 -13.350 1.00 0.00 C ATOM 1421 C LYS A 96 1.609 5.191 -14.064 1.00 0.00 C ATOM 1422 O LYS A 96 2.527 5.914 -14.458 1.00 0.00 O ATOM 1423 CB LYS A 96 1.738 2.705 -14.332 1.00 0.00 C ATOM 1424 CG LYS A 96 2.943 2.550 -15.245 1.00 0.00 C ATOM 1425 CD LYS A 96 2.554 2.683 -16.709 1.00 0.00 C ATOM 1426 CE LYS A 96 2.662 1.354 -17.438 1.00 0.00 C ATOM 1427 NZ LYS A 96 1.332 0.854 -17.881 1.00 0.00 N ATOM 0 H LYS A 96 0.354 2.881 -12.290 1.00 0.00 H new ATOM 0 HA LYS A 96 2.866 3.841 -12.932 1.00 0.00 H new ATOM 0 HB2 LYS A 96 1.597 1.782 -13.770 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.846 2.846 -14.942 1.00 0.00 H new ATOM 0 HG2 LYS A 96 3.689 3.305 -14.996 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.405 1.577 -15.077 1.00 0.00 H new ATOM 0 HD2 LYS A 96 1.533 3.057 -16.782 1.00 0.00 H new ATOM 0 HD3 LYS A 96 3.198 3.417 -17.192 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.314 1.467 -18.304 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.127 0.617 -16.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.449 -0.054 -18.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.717 0.722 -17.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.899 1.545 -18.527 1.00 0.00 H new ATOM 1441 N LYS A 97 0.319 5.500 -14.160 1.00 0.00 N ATOM 1442 CA LYS A 97 -0.146 6.738 -14.759 1.00 0.00 C ATOM 1443 C LYS A 97 -0.021 7.873 -13.749 1.00 0.00 C ATOM 1444 O LYS A 97 0.258 9.016 -14.112 1.00 0.00 O ATOM 1445 CB LYS A 97 -1.598 6.601 -15.224 1.00 0.00 C ATOM 1446 CG LYS A 97 -2.039 7.704 -16.172 1.00 0.00 C ATOM 1447 CD LYS A 97 -3.159 7.236 -17.087 1.00 0.00 C ATOM 1448 CE LYS A 97 -2.883 7.602 -18.536 1.00 0.00 C ATOM 1449 NZ LYS A 97 -3.049 9.061 -18.782 1.00 0.00 N ATOM 0 H LYS A 97 -0.431 4.896 -13.823 1.00 0.00 H new ATOM 0 HA LYS A 97 0.471 6.961 -15.630 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.723 5.637 -15.718 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.252 6.600 -14.352 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.374 8.567 -15.597 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.190 8.031 -16.772 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.275 6.156 -16.999 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.101 7.684 -16.770 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.868 7.303 -18.799 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.558 7.045 -19.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.852 9.269 -19.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -4.024 9.342 -18.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.387 9.592 -18.181 1.00 0.00 H new ATOM 1463 N ILE A 98 -0.211 7.541 -12.471 1.00 0.00 N ATOM 1464 CA ILE A 98 -0.102 8.526 -11.404 1.00 0.00 C ATOM 1465 C ILE A 98 1.311 9.105 -11.360 1.00 0.00 C ATOM 1466 O ILE A 98 1.500 10.320 -11.336 1.00 0.00 O ATOM 1467 CB ILE A 98 -0.465 7.933 -10.028 1.00 0.00 C ATOM 1468 CG1 ILE A 98 -1.958 7.588 -9.978 1.00 0.00 C ATOM 1469 CG2 ILE A 98 -0.113 8.914 -8.917 1.00 0.00 C ATOM 1470 CD1 ILE A 98 -2.368 6.837 -8.729 1.00 0.00 C ATOM 0 H ILE A 98 -0.440 6.599 -12.154 1.00 0.00 H new ATOM 0 HA ILE A 98 -0.817 9.319 -11.623 1.00 0.00 H new ATOM 0 HB ILE A 98 0.111 7.020 -9.880 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.537 8.509 -10.044 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.213 6.988 -10.852 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.375 8.480 -7.952 1.00 0.00 H new ATOM 0 HG22 ILE A 98 0.956 9.123 -8.942 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -0.668 9.841 -9.061 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -3.437 6.628 -8.765 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -1.816 5.899 -8.671 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -2.146 7.443 -7.851 1.00 0.00 H new ATOM 1482 N VAL A 99 2.294 8.212 -11.346 1.00 0.00 N ATOM 1483 CA VAL A 99 3.695 8.603 -11.302 1.00 0.00 C ATOM 1484 C VAL A 99 4.163 9.143 -12.650 1.00 0.00 C ATOM 1485 O VAL A 99 5.121 9.914 -12.719 1.00 0.00 O ATOM 1486 CB VAL A 99 4.595 7.430 -10.870 1.00 0.00 C ATOM 1487 CG1 VAL A 99 4.897 6.507 -12.043 1.00 0.00 C ATOM 1488 CG2 VAL A 99 5.878 7.950 -10.242 1.00 0.00 C ATOM 0 H VAL A 99 2.142 7.204 -11.365 1.00 0.00 H new ATOM 0 HA VAL A 99 3.779 9.396 -10.559 1.00 0.00 H new ATOM 0 HB VAL A 99 4.058 6.847 -10.122 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.534 5.689 -11.707 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.965 6.103 -12.437 1.00 0.00 H new ATOM 0 HG13 VAL A 99 5.409 7.068 -12.825 1.00 0.00 H new ATOM 0 HG21 VAL A 99 6.503 7.109 -9.942 1.00 0.00 H new ATOM 0 HG22 VAL A 99 6.416 8.562 -10.966 1.00 0.00 H new ATOM 0 HG23 VAL A 99 5.636 8.553 -9.367 1.00 0.00 H new ATOM 1498 N SER A 100 3.470 8.755 -13.720 1.00 0.00 N ATOM 1499 CA SER A 100 3.813 9.231 -15.056 1.00 0.00 C ATOM 1500 C SER A 100 3.151 10.580 -15.313 1.00 0.00 C ATOM 1501 O SER A 100 3.441 11.253 -16.303 1.00 0.00 O ATOM 1502 CB SER A 100 3.372 8.220 -16.116 1.00 0.00 C ATOM 1503 OG SER A 100 3.884 8.563 -17.392 1.00 0.00 O ATOM 0 H SER A 100 2.674 8.118 -13.687 1.00 0.00 H new ATOM 0 HA SER A 100 4.895 9.347 -15.117 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.716 7.224 -15.838 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.283 8.182 -16.156 1.00 0.00 H new ATOM 0 HG SER A 100 3.991 9.535 -17.451 1.00 0.00 H new ATOM 1509 N ASP A 101 2.259 10.964 -14.404 1.00 0.00 N ATOM 1510 CA ASP A 101 1.545 12.230 -14.511 1.00 0.00 C ATOM 1511 C ASP A 101 2.222 13.310 -13.669 1.00 0.00 C ATOM 1512 O ASP A 101 1.815 14.472 -13.692 1.00 0.00 O ATOM 1513 CB ASP A 101 0.091 12.062 -14.068 1.00 0.00 C ATOM 1514 CG ASP A 101 -0.874 12.057 -15.238 1.00 0.00 C ATOM 1515 OD1 ASP A 101 -0.973 13.094 -15.929 1.00 0.00 O ATOM 1516 OD2 ASP A 101 -1.528 11.018 -15.463 1.00 0.00 O ATOM 0 H ASP A 101 2.014 10.413 -13.582 1.00 0.00 H new ATOM 0 HA ASP A 101 1.565 12.540 -15.556 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.011 11.130 -13.513 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.174 12.870 -13.386 1.00 0.00 H new ATOM 1521 N GLY A 102 3.257 12.919 -12.932 1.00 0.00 N ATOM 1522 CA GLY A 102 3.974 13.867 -12.098 1.00 0.00 C ATOM 1523 C GLY A 102 3.941 13.496 -10.627 1.00 0.00 C ATOM 1524 O GLY A 102 4.876 13.796 -9.885 1.00 0.00 O ATOM 0 H GLY A 102 3.612 11.963 -12.897 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.010 13.926 -12.430 1.00 0.00 H new ATOM 0 HA3 GLY A 102 3.541 14.859 -12.228 1.00 0.00 H new ATOM 1528 N ASN A 103 2.861 12.846 -10.205 1.00 0.00 N ATOM 1529 CA ASN A 103 2.710 12.439 -8.811 1.00 0.00 C ATOM 1530 C ASN A 103 3.592 11.235 -8.493 1.00 0.00 C ATOM 1531 O ASN A 103 3.226 10.094 -8.772 1.00 0.00 O ATOM 1532 CB ASN A 103 1.247 12.108 -8.511 1.00 0.00 C ATOM 1533 CG ASN A 103 0.419 13.348 -8.236 1.00 0.00 C ATOM 1534 OD1 ASN A 103 0.523 14.349 -8.944 1.00 0.00 O ATOM 1535 ND2 ASN A 103 -0.411 13.287 -7.201 1.00 0.00 N ATOM 0 H ASN A 103 2.078 12.590 -10.807 1.00 0.00 H new ATOM 0 HA ASN A 103 3.025 13.271 -8.181 1.00 0.00 H new ATOM 0 HB2 ASN A 103 0.819 11.568 -9.356 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.197 11.443 -7.649 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -0.994 14.091 -6.967 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -0.465 12.437 -6.640 1.00 0.00 H new ATOM 1542 N GLY A 104 4.752 11.499 -7.898 1.00 0.00 N ATOM 1543 CA GLY A 104 5.667 10.427 -7.545 1.00 0.00 C ATOM 1544 C GLY A 104 5.230 9.686 -6.296 1.00 0.00 C ATOM 1545 O GLY A 104 4.037 9.571 -6.023 1.00 0.00 O ATOM 0 H GLY A 104 5.075 12.435 -7.654 1.00 0.00 H new ATOM 0 HA2 GLY A 104 5.738 9.725 -8.375 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.664 10.839 -7.390 1.00 0.00 H new ATOM 1549 N MET A 105 6.201 9.198 -5.527 1.00 0.00 N ATOM 1550 CA MET A 105 5.915 8.482 -4.292 1.00 0.00 C ATOM 1551 C MET A 105 5.454 9.468 -3.241 1.00 0.00 C ATOM 1552 O MET A 105 4.987 9.092 -2.165 1.00 0.00 O ATOM 1553 CB MET A 105 7.162 7.747 -3.798 1.00 0.00 C ATOM 1554 CG MET A 105 8.095 7.304 -4.914 1.00 0.00 C ATOM 1555 SD MET A 105 7.323 6.129 -6.043 1.00 0.00 S ATOM 1556 CE MET A 105 6.370 5.140 -4.895 1.00 0.00 C ATOM 0 H MET A 105 7.194 9.287 -5.741 1.00 0.00 H new ATOM 0 HA MET A 105 5.132 7.748 -4.480 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.710 8.397 -3.116 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.854 6.872 -3.226 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.424 8.179 -5.476 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.986 6.851 -4.479 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.157 4.169 -5.341 1.00 0.00 H new ATOM 0 HE2 MET A 105 6.939 5.000 -3.976 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.433 5.648 -4.668 1.00 0.00 H new ATOM 1566 N ASN A 106 5.594 10.741 -3.577 1.00 0.00 N ATOM 1567 CA ASN A 106 5.209 11.823 -2.699 1.00 0.00 C ATOM 1568 C ASN A 106 3.691 11.951 -2.615 1.00 0.00 C ATOM 1569 O ASN A 106 3.151 12.339 -1.579 1.00 0.00 O ATOM 1570 CB ASN A 106 5.826 13.120 -3.213 1.00 0.00 C ATOM 1571 CG ASN A 106 7.186 13.398 -2.606 1.00 0.00 C ATOM 1572 OD1 ASN A 106 7.326 14.256 -1.733 1.00 0.00 O ATOM 1573 ND2 ASN A 106 8.199 12.674 -3.067 1.00 0.00 N ATOM 0 H ASN A 106 5.979 11.048 -4.470 1.00 0.00 H new ATOM 0 HA ASN A 106 5.575 11.613 -1.694 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.920 13.069 -4.298 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.156 13.950 -2.990 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.139 12.818 -2.697 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.038 11.974 -3.791 1.00 0.00 H new ATOM 1580 N ALA A 107 3.008 11.622 -3.710 1.00 0.00 N ATOM 1581 CA ALA A 107 1.552 11.698 -3.753 1.00 0.00 C ATOM 1582 C ALA A 107 0.940 10.940 -2.583 1.00 0.00 C ATOM 1583 O ALA A 107 0.041 11.436 -1.905 1.00 0.00 O ATOM 1584 CB ALA A 107 1.031 11.149 -5.073 1.00 0.00 C ATOM 0 H ALA A 107 3.440 11.301 -4.577 1.00 0.00 H new ATOM 0 HA ALA A 107 1.260 12.745 -3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.057 11.213 -5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 107 1.441 11.733 -5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 107 1.335 10.108 -5.179 1.00 0.00 H new ATOM 1590 N TRP A 108 1.441 9.731 -2.353 1.00 0.00 N ATOM 1591 CA TRP A 108 0.953 8.897 -1.265 1.00 0.00 C ATOM 1592 C TRP A 108 1.553 9.359 0.062 1.00 0.00 C ATOM 1593 O TRP A 108 2.762 9.560 0.176 1.00 0.00 O ATOM 1594 CB TRP A 108 1.280 7.429 -1.546 1.00 0.00 C ATOM 1595 CG TRP A 108 0.672 6.935 -2.828 1.00 0.00 C ATOM 1596 CD1 TRP A 108 -0.606 6.490 -3.012 1.00 0.00 C ATOM 1597 CD2 TRP A 108 1.313 6.847 -4.108 1.00 0.00 C ATOM 1598 NE1 TRP A 108 -0.798 6.129 -4.325 1.00 0.00 N ATOM 1599 CE2 TRP A 108 0.365 6.339 -5.020 1.00 0.00 C ATOM 1600 CE3 TRP A 108 2.597 7.147 -4.572 1.00 0.00 C ATOM 1601 CZ2 TRP A 108 0.662 6.126 -6.367 1.00 0.00 C ATOM 1602 CZ3 TRP A 108 2.890 6.936 -5.906 1.00 0.00 C ATOM 1603 CH2 TRP A 108 1.927 6.431 -6.790 1.00 0.00 C ATOM 0 H TRP A 108 2.186 9.308 -2.907 1.00 0.00 H new ATOM 0 HA TRP A 108 -0.130 8.994 -1.193 1.00 0.00 H new ATOM 0 HB2 TRP A 108 2.362 7.304 -1.590 1.00 0.00 H new ATOM 0 HB3 TRP A 108 0.922 6.816 -0.719 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -1.357 6.430 -2.238 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -1.665 5.764 -4.718 1.00 0.00 H new ATOM 0 HE3 TRP A 108 3.347 7.537 -3.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -0.078 5.735 -7.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 3.879 7.165 -6.274 1.00 0.00 H new ATOM 0 HH2 TRP A 108 2.189 6.279 -7.827 1.00 0.00 H new ATOM 1614 N VAL A 109 0.683 9.562 1.047 1.00 0.00 N ATOM 1615 CA VAL A 109 1.090 10.048 2.365 1.00 0.00 C ATOM 1616 C VAL A 109 1.801 8.998 3.209 1.00 0.00 C ATOM 1617 O VAL A 109 2.583 9.342 4.094 1.00 0.00 O ATOM 1618 CB VAL A 109 -0.105 10.561 3.162 1.00 0.00 C ATOM 1619 CG1 VAL A 109 0.261 11.822 3.929 1.00 0.00 C ATOM 1620 CG2 VAL A 109 -1.312 10.801 2.265 1.00 0.00 C ATOM 0 H VAL A 109 -0.319 9.396 0.957 1.00 0.00 H new ATOM 0 HA VAL A 109 1.792 10.856 2.158 1.00 0.00 H new ATOM 0 HB VAL A 109 -0.380 9.790 3.882 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.606 12.171 4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 109 1.077 11.605 4.619 1.00 0.00 H new ATOM 0 HG13 VAL A 109 0.575 12.596 3.228 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.145 11.166 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -1.060 11.542 1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -1.596 9.867 1.780 1.00 0.00 H new ATOM 1630 N ALA A 110 1.538 7.728 2.947 1.00 0.00 N ATOM 1631 CA ALA A 110 2.176 6.660 3.710 1.00 0.00 C ATOM 1632 C ALA A 110 3.662 6.590 3.401 1.00 0.00 C ATOM 1633 O ALA A 110 4.456 6.109 4.210 1.00 0.00 O ATOM 1634 CB ALA A 110 1.507 5.328 3.423 1.00 0.00 C ATOM 0 H ALA A 110 0.895 7.411 2.221 1.00 0.00 H new ATOM 0 HA ALA A 110 2.060 6.882 4.771 1.00 0.00 H new ATOM 0 HB1 ALA A 110 1.996 4.543 4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 110 0.455 5.382 3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 110 1.589 5.101 2.360 1.00 0.00 H new ATOM 1640 N TRP A 111 4.033 7.091 2.231 1.00 0.00 N ATOM 1641 CA TRP A 111 5.428 7.101 1.826 1.00 0.00 C ATOM 1642 C TRP A 111 6.116 8.356 2.353 1.00 0.00 C ATOM 1643 O TRP A 111 7.278 8.311 2.753 1.00 0.00 O ATOM 1644 CB TRP A 111 5.558 7.005 0.301 1.00 0.00 C ATOM 1645 CG TRP A 111 6.976 7.076 -0.184 1.00 0.00 C ATOM 1646 CD1 TRP A 111 7.796 6.023 -0.472 1.00 0.00 C ATOM 1647 CD2 TRP A 111 7.740 8.262 -0.442 1.00 0.00 C ATOM 1648 NE1 TRP A 111 9.022 6.480 -0.891 1.00 0.00 N ATOM 1649 CE2 TRP A 111 9.013 7.850 -0.882 1.00 0.00 C ATOM 1650 CE3 TRP A 111 7.472 9.630 -0.346 1.00 0.00 C ATOM 1651 CZ2 TRP A 111 10.013 8.758 -1.222 1.00 0.00 C ATOM 1652 CZ3 TRP A 111 8.465 10.529 -0.683 1.00 0.00 C ATOM 1653 CH2 TRP A 111 9.722 10.090 -1.117 1.00 0.00 C ATOM 0 H TRP A 111 3.389 7.494 1.550 1.00 0.00 H new ATOM 0 HA TRP A 111 5.920 6.228 2.255 1.00 0.00 H new ATOM 0 HB2 TRP A 111 5.114 6.068 -0.035 1.00 0.00 H new ATOM 0 HB3 TRP A 111 4.985 7.812 -0.156 1.00 0.00 H new ATOM 0 HD1 TRP A 111 7.521 4.982 -0.383 1.00 0.00 H new ATOM 0 HE1 TRP A 111 9.811 5.894 -1.164 1.00 0.00 H new ATOM 0 HE3 TRP A 111 6.505 9.978 -0.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 10.983 8.422 -1.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 8.269 11.589 -0.611 1.00 0.00 H new ATOM 0 HH2 TRP A 111 10.477 10.818 -1.374 1.00 0.00 H new ATOM 1664 N ARG A 112 5.390 9.474 2.377 1.00 0.00 N ATOM 1665 CA ARG A 112 5.932 10.729 2.886 1.00 0.00 C ATOM 1666 C ARG A 112 5.594 10.907 4.362 1.00 0.00 C ATOM 1667 O ARG A 112 5.188 11.988 4.791 1.00 0.00 O ATOM 1668 CB ARG A 112 5.365 11.897 2.096 1.00 0.00 C ATOM 1669 CG ARG A 112 6.391 12.610 1.231 1.00 0.00 C ATOM 1670 CD ARG A 112 6.130 14.106 1.176 1.00 0.00 C ATOM 1671 NE ARG A 112 6.311 14.742 2.478 1.00 0.00 N ATOM 1672 CZ ARG A 112 6.878 15.933 2.645 1.00 0.00 C ATOM 1673 NH1 ARG A 112 7.318 16.615 1.596 1.00 0.00 N ATOM 1674 NH2 ARG A 112 7.005 16.443 3.862 1.00 0.00 N ATOM 0 H ARG A 112 4.426 9.534 2.050 1.00 0.00 H new ATOM 0 HA ARG A 112 7.016 10.701 2.775 1.00 0.00 H new ATOM 0 HB2 ARG A 112 4.557 11.535 1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 112 4.928 12.615 2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 112 7.391 12.428 1.626 1.00 0.00 H new ATOM 0 HG3 ARG A 112 6.367 12.198 0.222 1.00 0.00 H new ATOM 0 HD2 ARG A 112 6.803 14.565 0.452 1.00 0.00 H new ATOM 0 HD3 ARG A 112 5.114 14.284 0.824 1.00 0.00 H new ATOM 0 HE ARG A 112 5.984 14.244 3.306 1.00 0.00 H new ATOM 0 HH11 ARG A 112 7.222 16.226 0.658 1.00 0.00 H new ATOM 0 HH12 ARG A 112 7.753 17.528 1.727 1.00 0.00 H new ATOM 0 HH21 ARG A 112 6.668 15.922 4.671 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.440 17.357 3.989 1.00 0.00 H new ATOM 1688 N ASN A 113 5.765 9.848 5.133 1.00 0.00 N ATOM 1689 CA ASN A 113 5.477 9.899 6.563 1.00 0.00 C ATOM 1690 C ASN A 113 6.260 8.841 7.325 1.00 0.00 C ATOM 1691 O ASN A 113 7.084 9.158 8.183 1.00 0.00 O ATOM 1692 CB ASN A 113 3.979 9.714 6.809 1.00 0.00 C ATOM 1693 CG ASN A 113 3.532 10.305 8.131 1.00 0.00 C ATOM 1694 OD1 ASN A 113 3.749 9.718 9.191 1.00 0.00 O ATOM 1695 ND2 ASN A 113 2.904 11.473 8.075 1.00 0.00 N ATOM 0 H ASN A 113 6.100 8.944 4.799 1.00 0.00 H new ATOM 0 HA ASN A 113 5.785 10.879 6.929 1.00 0.00 H new ATOM 0 HB2 ASN A 113 3.420 10.181 5.998 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.739 8.651 6.790 1.00 0.00 H new ATOM 0 HD21 ASN A 113 2.580 11.919 8.933 1.00 0.00 H new ATOM 0 HD22 ASN A 113 2.746 11.924 7.174 1.00 0.00 H new ATOM 1702 N ARG A 114 5.989 7.583 7.012 1.00 0.00 N ATOM 1703 CA ARG A 114 6.657 6.471 7.669 1.00 0.00 C ATOM 1704 C ARG A 114 7.795 5.925 6.817 1.00 0.00 C ATOM 1705 O ARG A 114 8.532 5.038 7.247 1.00 0.00 O ATOM 1706 CB ARG A 114 5.651 5.361 7.959 1.00 0.00 C ATOM 1707 CG ARG A 114 4.988 5.477 9.321 1.00 0.00 C ATOM 1708 CD ARG A 114 3.478 5.588 9.198 1.00 0.00 C ATOM 1709 NE ARG A 114 2.903 6.428 10.246 1.00 0.00 N ATOM 1710 CZ ARG A 114 2.299 5.947 11.328 1.00 0.00 C ATOM 1711 NH1 ARG A 114 2.190 4.637 11.504 1.00 0.00 N ATOM 1712 NH2 ARG A 114 1.802 6.776 12.236 1.00 0.00 N ATOM 0 H ARG A 114 5.308 7.307 6.304 1.00 0.00 H new ATOM 0 HA ARG A 114 7.080 6.837 8.605 1.00 0.00 H new ATOM 0 HB2 ARG A 114 4.881 5.371 7.188 1.00 0.00 H new ATOM 0 HB3 ARG A 114 6.157 4.398 7.892 1.00 0.00 H new ATOM 0 HG2 ARG A 114 5.242 4.606 9.926 1.00 0.00 H new ATOM 0 HG3 ARG A 114 5.377 6.352 9.843 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.223 6.001 8.222 1.00 0.00 H new ATOM 0 HD3 ARG A 114 3.036 4.593 9.248 1.00 0.00 H new ATOM 0 HE ARG A 114 2.969 7.441 10.142 1.00 0.00 H new ATOM 0 HH11 ARG A 114 2.570 3.996 10.808 1.00 0.00 H new ATOM 0 HH12 ARG A 114 1.726 4.271 12.335 1.00 0.00 H new ATOM 0 HH21 ARG A 114 1.883 7.784 12.105 1.00 0.00 H new ATOM 0 HH22 ARG A 114 1.339 6.405 13.066 1.00 0.00 H new ATOM 1726 N CYS A 115 7.927 6.448 5.604 1.00 0.00 N ATOM 1727 CA CYS A 115 8.971 5.994 4.695 1.00 0.00 C ATOM 1728 C CYS A 115 10.031 7.065 4.465 1.00 0.00 C ATOM 1729 O CYS A 115 11.227 6.773 4.478 1.00 0.00 O ATOM 1730 CB CYS A 115 8.364 5.581 3.358 1.00 0.00 C ATOM 1731 SG CYS A 115 9.572 4.879 2.196 1.00 0.00 S ATOM 0 H CYS A 115 7.327 7.183 5.229 1.00 0.00 H new ATOM 0 HA CYS A 115 9.455 5.136 5.161 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.577 4.849 3.537 1.00 0.00 H new ATOM 0 HB3 CYS A 115 7.893 6.450 2.898 1.00 0.00 H new ATOM 1736 N LYS A 116 9.592 8.299 4.243 1.00 0.00 N ATOM 1737 CA LYS A 116 10.512 9.403 3.999 1.00 0.00 C ATOM 1738 C LYS A 116 11.483 9.579 5.161 1.00 0.00 C ATOM 1739 O LYS A 116 11.188 10.282 6.127 1.00 0.00 O ATOM 1740 CB LYS A 116 9.734 10.700 3.769 1.00 0.00 C ATOM 1741 CG LYS A 116 10.586 11.830 3.213 1.00 0.00 C ATOM 1742 CD LYS A 116 9.940 12.466 1.993 1.00 0.00 C ATOM 1743 CE LYS A 116 10.801 13.583 1.426 1.00 0.00 C ATOM 1744 NZ LYS A 116 10.171 14.920 1.611 1.00 0.00 N ATOM 0 H LYS A 116 8.606 8.559 4.227 1.00 0.00 H new ATOM 0 HA LYS A 116 11.089 9.167 3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 116 8.912 10.504 3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 116 9.291 11.020 4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 116 10.736 12.587 3.983 1.00 0.00 H new ATOM 0 HG3 LYS A 116 11.571 11.447 2.946 1.00 0.00 H new ATOM 0 HD2 LYS A 116 9.778 11.706 1.228 1.00 0.00 H new ATOM 0 HD3 LYS A 116 8.961 12.861 2.263 1.00 0.00 H new ATOM 0 HE2 LYS A 116 11.777 13.571 1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 116 10.972 13.406 0.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 10.790 15.654 1.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 9.251 14.940 1.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 10.031 15.101 2.626 1.00 0.00 H new ATOM 1758 N GLY A 117 12.645 8.940 5.059 1.00 0.00 N ATOM 1759 CA GLY A 117 13.640 9.045 6.108 1.00 0.00 C ATOM 1760 C GLY A 117 14.276 7.714 6.461 1.00 0.00 C ATOM 1761 O GLY A 117 15.084 7.638 7.386 1.00 0.00 O ATOM 0 H GLY A 117 12.914 8.353 4.270 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.418 9.741 5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 117 13.176 9.467 7.000 1.00 0.00 H new ATOM 1765 N THR A 118 13.919 6.661 5.729 1.00 0.00 N ATOM 1766 CA THR A 118 14.470 5.335 5.984 1.00 0.00 C ATOM 1767 C THR A 118 15.260 4.830 4.777 1.00 0.00 C ATOM 1768 O THR A 118 15.834 5.622 4.030 1.00 0.00 O ATOM 1769 CB THR A 118 13.358 4.324 6.323 1.00 0.00 C ATOM 1770 OG1 THR A 118 12.352 4.338 5.303 1.00 0.00 O ATOM 1771 CG2 THR A 118 12.726 4.647 7.670 1.00 0.00 C ATOM 0 H THR A 118 13.253 6.701 4.958 1.00 0.00 H new ATOM 0 HA THR A 118 15.140 5.424 6.840 1.00 0.00 H new ATOM 0 HB THR A 118 13.805 3.331 6.376 1.00 0.00 H new ATOM 0 HG1 THR A 118 11.977 5.240 5.226 1.00 0.00 H new ATOM 0 HG21 THR A 118 11.944 3.920 7.888 1.00 0.00 H new ATOM 0 HG22 THR A 118 13.488 4.605 8.449 1.00 0.00 H new ATOM 0 HG23 THR A 118 12.294 5.647 7.639 1.00 0.00 H new ATOM 1779 N ASP A 119 15.289 3.511 4.591 1.00 0.00 N ATOM 1780 CA ASP A 119 16.015 2.916 3.474 1.00 0.00 C ATOM 1781 C ASP A 119 15.180 1.862 2.754 1.00 0.00 C ATOM 1782 O ASP A 119 14.940 0.775 3.281 1.00 0.00 O ATOM 1783 CB ASP A 119 17.309 2.305 3.955 1.00 0.00 C ATOM 1784 CG ASP A 119 18.397 2.340 2.898 1.00 0.00 C ATOM 1785 OD1 ASP A 119 18.144 1.866 1.770 1.00 0.00 O ATOM 1786 OD2 ASP A 119 19.501 2.839 3.199 1.00 0.00 O ATOM 0 H ASP A 119 14.820 2.838 5.197 1.00 0.00 H new ATOM 0 HA ASP A 119 16.233 3.714 2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.651 2.839 4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.130 1.272 4.254 1.00 0.00 H new ATOM 1791 N VAL A 120 14.744 2.194 1.543 1.00 0.00 N ATOM 1792 CA VAL A 120 13.940 1.289 0.734 1.00 0.00 C ATOM 1793 C VAL A 120 14.811 0.205 0.114 1.00 0.00 C ATOM 1794 O VAL A 120 14.366 -0.926 -0.083 1.00 0.00 O ATOM 1795 CB VAL A 120 13.197 2.044 -0.384 1.00 0.00 C ATOM 1796 CG1 VAL A 120 12.265 3.090 0.207 1.00 0.00 C ATOM 1797 CG2 VAL A 120 14.183 2.686 -1.347 1.00 0.00 C ATOM 0 H VAL A 120 14.937 3.092 1.099 1.00 0.00 H new ATOM 0 HA VAL A 120 13.205 0.831 1.396 1.00 0.00 H new ATOM 0 HB VAL A 120 12.597 1.325 -0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.749 3.613 -0.598 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.533 2.603 0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 120 12.844 3.805 0.792 1.00 0.00 H new ATOM 0 HG21 VAL A 120 13.637 3.214 -2.129 1.00 0.00 H new ATOM 0 HG22 VAL A 120 14.814 3.391 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 120 14.806 1.914 -1.798 1.00 0.00 H new ATOM 1807 N GLN A 121 16.062 0.555 -0.178 1.00 0.00 N ATOM 1808 CA GLN A 121 16.998 -0.396 -0.759 1.00 0.00 C ATOM 1809 C GLN A 121 17.161 -1.585 0.176 1.00 0.00 C ATOM 1810 O GLN A 121 17.488 -2.692 -0.252 1.00 0.00 O ATOM 1811 CB GLN A 121 18.353 0.269 -1.008 1.00 0.00 C ATOM 1812 CG GLN A 121 18.998 -0.139 -2.323 1.00 0.00 C ATOM 1813 CD GLN A 121 20.479 -0.433 -2.178 1.00 0.00 C ATOM 1814 OE1 GLN A 121 20.876 -1.312 -1.414 1.00 0.00 O ATOM 1815 NE2 GLN A 121 21.303 0.304 -2.914 1.00 0.00 N ATOM 0 H GLN A 121 16.447 1.487 -0.021 1.00 0.00 H new ATOM 0 HA GLN A 121 16.605 -0.741 -1.715 1.00 0.00 H new ATOM 0 HB2 GLN A 121 18.225 1.351 -0.996 1.00 0.00 H new ATOM 0 HB3 GLN A 121 19.027 0.019 -0.189 1.00 0.00 H new ATOM 0 HG2 GLN A 121 18.492 -1.022 -2.713 1.00 0.00 H new ATOM 0 HG3 GLN A 121 18.859 0.657 -3.054 1.00 0.00 H new ATOM 0 HE21 GLN A 121 20.929 1.022 -3.534 1.00 0.00 H new ATOM 0 HE22 GLN A 121 22.310 0.152 -2.859 1.00 0.00 H new ATOM 1824 N ALA A 122 16.912 -1.340 1.458 1.00 0.00 N ATOM 1825 CA ALA A 122 17.008 -2.377 2.472 1.00 0.00 C ATOM 1826 C ALA A 122 15.668 -3.082 2.642 1.00 0.00 C ATOM 1827 O ALA A 122 15.605 -4.202 3.148 1.00 0.00 O ATOM 1828 CB ALA A 122 17.470 -1.785 3.795 1.00 0.00 C ATOM 0 H ALA A 122 16.641 -0.425 1.818 1.00 0.00 H new ATOM 0 HA ALA A 122 17.745 -3.111 2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 122 17.537 -2.575 4.543 1.00 0.00 H new ATOM 0 HB2 ALA A 122 18.449 -1.324 3.665 1.00 0.00 H new ATOM 0 HB3 ALA A 122 16.755 -1.031 4.126 1.00 0.00 H new ATOM 1834 N TRP A 123 14.595 -2.419 2.208 1.00 0.00 N ATOM 1835 CA TRP A 123 13.255 -2.995 2.309 1.00 0.00 C ATOM 1836 C TRP A 123 13.135 -4.248 1.446 1.00 0.00 C ATOM 1837 O TRP A 123 12.228 -5.060 1.637 1.00 0.00 O ATOM 1838 CB TRP A 123 12.196 -1.975 1.889 1.00 0.00 C ATOM 1839 CG TRP A 123 11.682 -1.139 3.024 1.00 0.00 C ATOM 1840 CD1 TRP A 123 11.464 0.207 3.010 1.00 0.00 C ATOM 1841 CD2 TRP A 123 11.316 -1.589 4.336 1.00 0.00 C ATOM 1842 NE1 TRP A 123 10.991 0.620 4.231 1.00 0.00 N ATOM 1843 CE2 TRP A 123 10.894 -0.468 5.058 1.00 0.00 C ATOM 1844 CE3 TRP A 123 11.305 -2.829 4.971 1.00 0.00 C ATOM 1845 CZ2 TRP A 123 10.467 -0.559 6.375 1.00 0.00 C ATOM 1846 CZ3 TRP A 123 10.883 -2.917 6.279 1.00 0.00 C ATOM 1847 CH2 TRP A 123 10.468 -1.785 6.970 1.00 0.00 C ATOM 0 H TRP A 123 14.627 -1.491 1.787 1.00 0.00 H new ATOM 0 HA TRP A 123 13.088 -3.270 3.351 1.00 0.00 H new ATOM 0 HB2 TRP A 123 12.618 -1.319 1.128 1.00 0.00 H new ATOM 0 HB3 TRP A 123 11.360 -2.501 1.429 1.00 0.00 H new ATOM 0 HD1 TRP A 123 11.638 0.854 2.163 1.00 0.00 H new ATOM 0 HE1 TRP A 123 10.751 1.579 4.481 1.00 0.00 H new ATOM 0 HE3 TRP A 123 11.625 -3.714 4.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 10.142 0.319 6.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 10.874 -3.877 6.774 1.00 0.00 H new ATOM 0 HH2 TRP A 123 10.141 -1.878 7.995 1.00 0.00 H new ATOM 1858 N ILE A 124 14.056 -4.400 0.500 1.00 0.00 N ATOM 1859 CA ILE A 124 14.055 -5.555 -0.391 1.00 0.00 C ATOM 1860 C ILE A 124 15.406 -6.263 -0.368 1.00 0.00 C ATOM 1861 O ILE A 124 15.693 -7.106 -1.217 1.00 0.00 O ATOM 1862 CB ILE A 124 13.724 -5.153 -1.839 1.00 0.00 C ATOM 1863 CG1 ILE A 124 14.581 -3.963 -2.273 1.00 0.00 C ATOM 1864 CG2 ILE A 124 12.243 -4.825 -1.973 1.00 0.00 C ATOM 1865 CD1 ILE A 124 15.042 -4.043 -3.712 1.00 0.00 C ATOM 0 H ILE A 124 14.813 -3.738 0.330 1.00 0.00 H new ATOM 0 HA ILE A 124 13.282 -6.233 -0.028 1.00 0.00 H new ATOM 0 HB ILE A 124 13.951 -5.995 -2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 124 14.011 -3.045 -2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 124 15.454 -3.898 -1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 124 12.025 -4.542 -3.003 1.00 0.00 H new ATOM 0 HG22 ILE A 124 11.651 -5.699 -1.703 1.00 0.00 H new ATOM 0 HG23 ILE A 124 11.992 -3.998 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 124 15.644 -3.166 -3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 124 15.640 -4.943 -3.853 1.00 0.00 H new ATOM 0 HD13 ILE A 124 14.174 -4.077 -4.371 1.00 0.00 H new ATOM 1877 N ARG A 125 16.232 -5.909 0.612 1.00 0.00 N ATOM 1878 CA ARG A 125 17.555 -6.505 0.752 1.00 0.00 C ATOM 1879 C ARG A 125 17.454 -7.992 1.080 1.00 0.00 C ATOM 1880 O ARG A 125 17.330 -8.374 2.244 1.00 0.00 O ATOM 1881 CB ARG A 125 18.349 -5.783 1.843 1.00 0.00 C ATOM 1882 CG ARG A 125 19.820 -5.605 1.508 1.00 0.00 C ATOM 1883 CD ARG A 125 20.680 -6.651 2.201 1.00 0.00 C ATOM 1884 NE ARG A 125 21.869 -6.063 2.813 1.00 0.00 N ATOM 1885 CZ ARG A 125 23.092 -6.171 2.301 1.00 0.00 C ATOM 1886 NH1 ARG A 125 23.285 -6.842 1.174 1.00 0.00 N ATOM 1887 NH2 ARG A 125 24.122 -5.609 2.918 1.00 0.00 N ATOM 0 H ARG A 125 16.007 -5.211 1.321 1.00 0.00 H new ATOM 0 HA ARG A 125 18.075 -6.398 -0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 125 17.904 -4.804 2.017 1.00 0.00 H new ATOM 0 HB3 ARG A 125 18.262 -6.343 2.774 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.960 -5.674 0.429 1.00 0.00 H new ATOM 0 HG3 ARG A 125 20.145 -4.609 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 125 20.090 -7.156 2.966 1.00 0.00 H new ATOM 0 HD3 ARG A 125 20.981 -7.409 1.478 1.00 0.00 H new ATOM 0 HE ARG A 125 21.755 -5.540 3.682 1.00 0.00 H new ATOM 0 HH11 ARG A 125 22.495 -7.277 0.698 1.00 0.00 H new ATOM 0 HH12 ARG A 125 24.224 -6.923 0.783 1.00 0.00 H new ATOM 0 HH21 ARG A 125 23.977 -5.093 3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 125 25.059 -5.692 2.525 1.00 0.00 H new ATOM 1901 N GLY A 126 17.507 -8.826 0.045 1.00 0.00 N ATOM 1902 CA GLY A 126 17.421 -10.262 0.244 1.00 0.00 C ATOM 1903 C GLY A 126 16.229 -10.879 -0.460 1.00 0.00 C ATOM 1904 O GLY A 126 16.027 -12.092 -0.404 1.00 0.00 O ATOM 0 H GLY A 126 17.608 -8.533 -0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 126 18.335 -10.731 -0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 126 17.357 -10.474 1.311 1.00 0.00 H new ATOM 1908 N CYS A 127 15.435 -10.043 -1.122 1.00 0.00 N ATOM 1909 CA CYS A 127 14.258 -10.509 -1.838 1.00 0.00 C ATOM 1910 C CYS A 127 14.639 -11.353 -3.048 1.00 0.00 C ATOM 1911 O CYS A 127 15.406 -10.916 -3.907 1.00 0.00 O ATOM 1912 CB CYS A 127 13.410 -9.328 -2.269 1.00 0.00 C ATOM 1913 SG CYS A 127 12.141 -8.843 -1.057 1.00 0.00 S ATOM 0 H CYS A 127 15.588 -9.036 -1.176 1.00 0.00 H new ATOM 0 HA CYS A 127 13.680 -11.139 -1.161 1.00 0.00 H new ATOM 0 HB2 CYS A 127 14.062 -8.475 -2.457 1.00 0.00 H new ATOM 0 HB3 CYS A 127 12.922 -9.570 -3.213 1.00 0.00 H new ATOM 1918 N ARG A 128 14.100 -12.565 -3.109 1.00 0.00 N ATOM 1919 CA ARG A 128 14.382 -13.475 -4.213 1.00 0.00 C ATOM 1920 C ARG A 128 13.467 -13.190 -5.399 1.00 0.00 C ATOM 1921 O ARG A 128 12.326 -13.652 -5.441 1.00 0.00 O ATOM 1922 CB ARG A 128 14.214 -14.927 -3.761 1.00 0.00 C ATOM 1923 CG ARG A 128 15.528 -15.676 -3.620 1.00 0.00 C ATOM 1924 CD ARG A 128 15.616 -16.838 -4.598 1.00 0.00 C ATOM 1925 NE ARG A 128 15.759 -18.119 -3.913 1.00 0.00 N ATOM 1926 CZ ARG A 128 16.194 -19.227 -4.505 1.00 0.00 C ATOM 1927 NH1 ARG A 128 16.528 -19.210 -5.789 1.00 0.00 N ATOM 1928 NH2 ARG A 128 16.296 -20.354 -3.814 1.00 0.00 N ATOM 0 H ARG A 128 13.464 -12.941 -2.406 1.00 0.00 H new ATOM 0 HA ARG A 128 15.414 -13.317 -4.527 1.00 0.00 H new ATOM 0 HB2 ARG A 128 13.692 -14.943 -2.804 1.00 0.00 H new ATOM 0 HB3 ARG A 128 13.582 -15.451 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 128 16.358 -14.991 -3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 128 15.628 -16.049 -2.601 1.00 0.00 H new ATOM 0 HD2 ARG A 128 14.721 -16.857 -5.220 1.00 0.00 H new ATOM 0 HD3 ARG A 128 16.465 -16.687 -5.265 1.00 0.00 H new ATOM 0 HE ARG A 128 15.511 -18.167 -2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 128 16.451 -18.345 -6.325 1.00 0.00 H new ATOM 0 HH12 ARG A 128 16.861 -20.062 -6.241 1.00 0.00 H new ATOM 0 HH21 ARG A 128 16.041 -20.372 -2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 128 16.630 -21.203 -4.270 1.00 0.00 H new ATOM 1942 N LEU A 129 13.975 -12.426 -6.360 1.00 0.00 N ATOM 1943 CA LEU A 129 13.204 -12.078 -7.548 1.00 0.00 C ATOM 1944 C LEU A 129 14.122 -11.636 -8.683 1.00 0.00 C ATOM 1945 O LEU A 129 13.611 -11.394 -9.797 1.00 0.00 O ATOM 1946 CB LEU A 129 12.199 -10.971 -7.223 1.00 0.00 C ATOM 1947 CG LEU A 129 12.818 -9.620 -6.857 1.00 0.00 C ATOM 1948 CD1 LEU A 129 12.693 -8.645 -8.017 1.00 0.00 C ATOM 1949 CD2 LEU A 129 12.158 -9.055 -5.609 1.00 0.00 C ATOM 1950 OXT LEU A 129 15.345 -11.533 -8.448 1.00 0.00 O ATOM 0 H LEU A 129 14.917 -12.036 -6.340 1.00 0.00 H new ATOM 0 HA LEU A 129 12.661 -12.966 -7.872 1.00 0.00 H new ATOM 0 HB2 LEU A 129 11.544 -10.832 -8.083 1.00 0.00 H new ATOM 0 HB3 LEU A 129 11.572 -11.302 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 129 13.877 -9.770 -6.648 1.00 0.00 H new ATOM 0 HD11 LEU A 129 13.138 -7.690 -7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 129 13.211 -9.047 -8.888 1.00 0.00 H new ATOM 0 HD13 LEU A 129 11.640 -8.498 -8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 129 12.609 -8.094 -5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 129 11.092 -8.919 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 129 12.299 -9.746 -4.778 1.00 0.00 H new