USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 831 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 67 TYR OH : rot 131:sc= 0.643 USER MOD Set 1.2: A 71 HIS : no HD1:sc= -1.99 K(o=-1.3,f=-2.6!) USER MOD Set 2.1: A 52 ASN : amide:sc= -5.58! C(o=-6.1!,f=-7.2!) USER MOD Set 2.2: A 78 THR OG1 : rot -170:sc= -0.495 USER MOD Set 3.1: A 19 THR OG1 : rot 114:sc= 0.0778 USER MOD Set 3.2: A 26 HIS : no HE2:sc= -16.9! C(o=-25!,f=-35!) USER MOD Set 3.3: A 31 ASN : amide:sc= -8.23! C(o=-25!,f=-36!) USER MOD Set 4.1: A 2 SER OG : rot 180:sc= -0.515 USER MOD Set 4.2: A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -32:sc= 0.419 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 PHE N :NH3+ -151:sc= 1.35 (180deg=0.415) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -25:sc= 1.06 USER MOD Single : A 14 CYS SG : rot 145:sc= -1.16 USER MOD Single : A 16 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.36) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= -4.59! C(o=-4.6!,f=-11!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.404 K(o=-0.4,f=-1.5) USER MOD Single : A 39 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.33) USER MOD Single : A 40 SER OG : rot 44:sc= 0.581 USER MOD Single : A 42 GLN : amide:sc= 0.00498 K(o=0.005,f=-3.7!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc=-0.00666 USER MOD Single : A 48 TYR OH : rot -174:sc= -1.16 USER MOD Single : A 49 THR OG1 : rot 130:sc= -0.768 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 149:sc= -0.346 (180deg=-1.44!) USER MOD Single : A 56 ASN : amide:sc= -2.19! C(o=-2.2!,f=-7.5!) USER MOD Single : A 62 ASN : amide:sc= -2.28! K(o=-2.3!,f=-0.19) USER MOD Single : A 63 ASN : amide:sc= 0.476 K(o=0.48,f=-2!) USER MOD Single : A 64 MET CE :methyl 155:sc= -0.295 (180deg=-1.41) USER MOD Single : A 65 SER OG : rot -51:sc= 0.718 USER MOD Single : A 69 THR OG1 : rot 180:sc= -3.13! USER MOD Single : A 70 ASN : amide:sc= -8.06! K(o=-8.1!,f=-1.7) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 151:sc= -0.16 (180deg=-0.904) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 156:sc= -0.152 (180deg=-0.866) USER MOD Single : A 89 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0422) USER MOD Single : A 92 ASN : amide:sc= -0.248 K(o=-0.25,f=-2!) USER MOD Single : A 96 THR OG1 : rot 88:sc= 0.599 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 148:sc= -1.33 (180deg=-3.39!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 79:sc= 0.896 USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 -13.633 9.207 1.947 1.00 0.00 N ATOM 33 CA PHE A -3 -12.820 9.086 3.189 1.00 0.00 C ATOM 34 C PHE A -3 -12.213 10.447 3.537 1.00 0.00 C ATOM 35 O PHE A -3 -12.119 11.327 2.704 1.00 0.00 O ATOM 36 CB PHE A -3 -11.704 8.061 2.968 1.00 0.00 C ATOM 37 CG PHE A -3 -10.783 8.543 1.873 1.00 0.00 C ATOM 38 CD1 PHE A -3 -11.106 8.305 0.531 1.00 0.00 C ATOM 39 CD2 PHE A -3 -9.607 9.227 2.198 1.00 0.00 C ATOM 40 CE1 PHE A -3 -10.252 8.751 -0.484 1.00 0.00 C ATOM 41 CE2 PHE A -3 -8.753 9.675 1.183 1.00 0.00 C ATOM 42 CZ PHE A -3 -9.075 9.436 -0.159 1.00 0.00 C ATOM 0 H1 PHE A -3 -14.401 8.506 1.965 1.00 0.00 H new ATOM 0 H2 PHE A -3 -14.038 10.163 1.889 1.00 0.00 H new ATOM 0 H3 PHE A -3 -13.028 9.037 1.118 1.00 0.00 H new ATOM 0 HA PHE A -3 -13.455 8.756 4.011 1.00 0.00 H new ATOM 0 HB2 PHE A -3 -11.143 7.915 3.891 1.00 0.00 H new ATOM 0 HB3 PHE A -3 -12.132 7.095 2.699 1.00 0.00 H new ATOM 0 HD1 PHE A -3 -12.014 7.777 0.280 1.00 0.00 H new ATOM 0 HD2 PHE A -3 -9.358 9.410 3.233 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -10.501 8.567 -1.519 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -7.846 10.205 1.435 1.00 0.00 H new ATOM 0 HZ PHE A -3 -8.416 9.780 -0.942 1.00 0.00 H new ATOM 52 N LYS A -2 -11.802 10.628 4.763 1.00 0.00 N ATOM 53 CA LYS A -2 -11.203 11.933 5.165 1.00 0.00 C ATOM 54 C LYS A -2 -9.776 12.029 4.622 1.00 0.00 C ATOM 55 O LYS A -2 -8.998 11.103 4.734 1.00 0.00 O ATOM 56 CB LYS A -2 -11.177 12.029 6.695 1.00 0.00 C ATOM 57 CG LYS A -2 -10.717 13.426 7.126 1.00 0.00 C ATOM 58 CD LYS A -2 -11.886 14.413 7.042 1.00 0.00 C ATOM 59 CE LYS A -2 -11.480 15.740 7.683 1.00 0.00 C ATOM 60 NZ LYS A -2 -12.532 16.762 7.419 1.00 0.00 N ATOM 0 H LYS A -2 -11.855 9.929 5.504 1.00 0.00 H new ATOM 0 HA LYS A -2 -11.800 12.750 4.758 1.00 0.00 H new ATOM 0 HB2 LYS A -2 -12.169 11.824 7.097 1.00 0.00 H new ATOM 0 HB3 LYS A -2 -10.505 11.274 7.103 1.00 0.00 H new ATOM 0 HG2 LYS A -2 -10.331 13.392 8.145 1.00 0.00 H new ATOM 0 HG3 LYS A -2 -9.900 13.762 6.487 1.00 0.00 H new ATOM 0 HD2 LYS A -2 -12.168 14.571 6.001 1.00 0.00 H new ATOM 0 HD3 LYS A -2 -12.759 14.003 7.550 1.00 0.00 H new ATOM 0 HE2 LYS A -2 -11.345 15.611 8.757 1.00 0.00 H new ATOM 0 HE3 LYS A -2 -10.524 16.074 7.279 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 -12.256 17.665 7.855 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 -12.640 16.892 6.393 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 -13.435 16.443 7.825 1.00 0.00 H new ATOM 74 N ALA A -1 -9.427 13.145 4.039 1.00 0.00 N ATOM 75 CA ALA A -1 -8.052 13.305 3.489 1.00 0.00 C ATOM 76 C ALA A -1 -7.459 14.631 3.968 1.00 0.00 C ATOM 77 O ALA A -1 -7.986 15.275 4.854 1.00 0.00 O ATOM 78 CB ALA A -1 -8.109 13.293 1.962 1.00 0.00 C ATOM 0 H ALA A -1 -10.037 13.954 3.920 1.00 0.00 H new ATOM 0 HA ALA A -1 -7.426 12.483 3.836 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -7.103 13.410 1.559 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -8.528 12.346 1.621 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -8.736 14.114 1.615 1.00 0.00 H new ATOM 84 N GLY A 1 -6.364 15.044 3.390 1.00 0.00 N ATOM 85 CA GLY A 1 -5.736 16.326 3.813 1.00 0.00 C ATOM 86 C GLY A 1 -5.003 16.954 2.626 1.00 0.00 C ATOM 87 O GLY A 1 -5.462 17.912 2.036 1.00 0.00 O ATOM 0 H GLY A 1 -5.878 14.548 2.643 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.498 17.010 4.186 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.039 16.148 4.632 1.00 0.00 H new ATOM 91 N SER A 2 -3.866 16.421 2.269 1.00 0.00 N ATOM 92 CA SER A 2 -3.105 16.980 1.124 1.00 0.00 C ATOM 93 C SER A 2 -2.391 15.843 0.395 1.00 0.00 C ATOM 94 O SER A 2 -1.468 15.244 0.910 1.00 0.00 O ATOM 95 CB SER A 2 -2.076 17.984 1.639 1.00 0.00 C ATOM 96 OG SER A 2 -2.541 19.304 1.391 1.00 0.00 O ATOM 0 H SER A 2 -3.433 15.619 2.726 1.00 0.00 H new ATOM 0 HA SER A 2 -3.787 17.483 0.439 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.912 17.839 2.707 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.117 17.825 1.145 1.00 0.00 H new ATOM 0 HG SER A 2 -1.883 19.950 1.722 1.00 0.00 H new ATOM 102 N ALA A 3 -2.809 15.541 -0.801 1.00 0.00 N ATOM 103 CA ALA A 3 -2.153 14.444 -1.563 1.00 0.00 C ATOM 104 C ALA A 3 -0.705 14.832 -1.859 1.00 0.00 C ATOM 105 O ALA A 3 0.138 13.992 -2.101 1.00 0.00 O ATOM 106 CB ALA A 3 -2.901 14.222 -2.877 1.00 0.00 C ATOM 0 H ALA A 3 -3.577 16.007 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 3 -2.172 13.526 -0.975 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -2.422 13.419 -3.437 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -3.935 13.950 -2.666 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.880 15.138 -3.467 1.00 0.00 H new ATOM 112 N LYS A 4 -0.414 16.102 -1.848 1.00 0.00 N ATOM 113 CA LYS A 4 0.976 16.552 -2.135 1.00 0.00 C ATOM 114 C LYS A 4 1.943 15.873 -1.163 1.00 0.00 C ATOM 115 O LYS A 4 2.947 15.317 -1.561 1.00 0.00 O ATOM 116 CB LYS A 4 1.045 18.066 -1.943 1.00 0.00 C ATOM 117 CG LYS A 4 0.055 18.740 -2.894 1.00 0.00 C ATOM 118 CD LYS A 4 -0.326 20.119 -2.348 1.00 0.00 C ATOM 119 CE LYS A 4 -1.474 19.973 -1.343 1.00 0.00 C ATOM 120 NZ LYS A 4 -1.951 21.324 -0.935 1.00 0.00 N ATOM 0 H LYS A 4 -1.080 16.849 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 4 1.251 16.290 -3.157 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.809 18.325 -0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.056 18.424 -2.138 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.498 18.840 -3.885 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.836 18.123 -3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.536 20.582 -1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.625 20.775 -3.165 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.292 19.406 -1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -1.138 19.415 -0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.730 21.226 -0.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.169 21.850 -0.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -2.287 21.841 -1.772 1.00 0.00 H new ATOM 134 N LYS A 5 1.646 15.906 0.107 1.00 0.00 N ATOM 135 CA LYS A 5 2.544 15.257 1.098 1.00 0.00 C ATOM 136 C LYS A 5 2.537 13.744 0.879 1.00 0.00 C ATOM 137 O LYS A 5 3.561 13.091 0.931 1.00 0.00 O ATOM 138 CB LYS A 5 2.049 15.572 2.506 1.00 0.00 C ATOM 139 CG LYS A 5 2.168 17.075 2.766 1.00 0.00 C ATOM 140 CD LYS A 5 1.781 17.374 4.216 1.00 0.00 C ATOM 141 CE LYS A 5 1.785 18.887 4.443 1.00 0.00 C ATOM 142 NZ LYS A 5 1.679 19.171 5.903 1.00 0.00 N ATOM 0 H LYS A 5 0.819 16.355 0.500 1.00 0.00 H new ATOM 0 HA LYS A 5 3.559 15.634 0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 5 1.012 15.254 2.618 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.633 15.018 3.241 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.188 17.408 2.574 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.519 17.625 2.084 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.794 16.966 4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.481 16.891 4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 5 2.700 19.323 4.042 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.953 19.348 3.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.682 20.199 6.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 0.794 18.768 6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.487 18.744 6.399 1.00 0.00 H new ATOM 156 N GLY A 6 1.386 13.183 0.634 1.00 0.00 N ATOM 157 CA GLY A 6 1.298 11.713 0.411 1.00 0.00 C ATOM 158 C GLY A 6 2.083 11.330 -0.840 1.00 0.00 C ATOM 159 O GLY A 6 2.687 10.278 -0.909 1.00 0.00 O ATOM 0 H GLY A 6 0.498 13.682 0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 6 1.693 11.181 1.276 1.00 0.00 H new ATOM 0 HA3 GLY A 6 0.255 11.415 0.302 1.00 0.00 H new ATOM 163 N ALA A 7 2.075 12.171 -1.836 1.00 0.00 N ATOM 164 CA ALA A 7 2.815 11.845 -3.084 1.00 0.00 C ATOM 165 C ALA A 7 4.300 11.682 -2.771 1.00 0.00 C ATOM 166 O ALA A 7 4.933 10.742 -3.204 1.00 0.00 O ATOM 167 CB ALA A 7 2.628 12.975 -4.099 1.00 0.00 C ATOM 0 H ALA A 7 1.589 13.068 -1.839 1.00 0.00 H new ATOM 0 HA ALA A 7 2.429 10.915 -3.501 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.170 12.736 -5.014 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.568 13.089 -4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 7 3.012 13.906 -3.682 1.00 0.00 H new ATOM 173 N THR A 8 4.860 12.587 -2.023 1.00 0.00 N ATOM 174 CA THR A 8 6.302 12.477 -1.687 1.00 0.00 C ATOM 175 C THR A 8 6.505 11.407 -0.613 1.00 0.00 C ATOM 176 O THR A 8 7.536 10.766 -0.552 1.00 0.00 O ATOM 177 CB THR A 8 6.804 13.823 -1.168 1.00 0.00 C ATOM 178 OG1 THR A 8 6.210 14.095 0.092 1.00 0.00 O ATOM 179 CG2 THR A 8 6.431 14.925 -2.160 1.00 0.00 C ATOM 0 H THR A 8 4.381 13.398 -1.630 1.00 0.00 H new ATOM 0 HA THR A 8 6.860 12.197 -2.580 1.00 0.00 H new ATOM 0 HB THR A 8 7.888 13.789 -1.058 1.00 0.00 H new ATOM 0 HG1 THR A 8 5.314 13.699 0.124 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.790 15.885 -1.789 1.00 0.00 H new ATOM 0 HG22 THR A 8 6.890 14.715 -3.126 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.347 14.961 -2.273 1.00 0.00 H new ATOM 187 N LEU A 9 5.534 11.204 0.236 1.00 0.00 N ATOM 188 CA LEU A 9 5.685 10.175 1.298 1.00 0.00 C ATOM 189 C LEU A 9 5.967 8.825 0.643 1.00 0.00 C ATOM 190 O LEU A 9 6.839 8.084 1.059 1.00 0.00 O ATOM 191 CB LEU A 9 4.389 10.092 2.108 1.00 0.00 C ATOM 192 CG LEU A 9 4.591 9.158 3.301 1.00 0.00 C ATOM 193 CD1 LEU A 9 5.576 9.790 4.288 1.00 0.00 C ATOM 194 CD2 LEU A 9 3.247 8.934 3.998 1.00 0.00 C ATOM 0 H LEU A 9 4.646 11.706 0.238 1.00 0.00 H new ATOM 0 HA LEU A 9 6.509 10.441 1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 9 4.100 11.084 2.455 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.578 9.725 1.479 1.00 0.00 H new ATOM 0 HG LEU A 9 4.990 8.205 2.954 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.718 9.122 5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.532 9.955 3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.179 10.743 4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.385 8.268 4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.853 9.889 4.344 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.544 8.484 3.297 1.00 0.00 H new ATOM 206 N PHE A 10 5.246 8.509 -0.392 1.00 0.00 N ATOM 207 CA PHE A 10 5.478 7.220 -1.094 1.00 0.00 C ATOM 208 C PHE A 10 6.870 7.233 -1.721 1.00 0.00 C ATOM 209 O PHE A 10 7.597 6.262 -1.676 1.00 0.00 O ATOM 210 CB PHE A 10 4.431 7.041 -2.197 1.00 0.00 C ATOM 211 CG PHE A 10 4.680 5.741 -2.926 1.00 0.00 C ATOM 212 CD1 PHE A 10 5.693 5.666 -3.890 1.00 0.00 C ATOM 213 CD2 PHE A 10 3.904 4.611 -2.638 1.00 0.00 C ATOM 214 CE1 PHE A 10 5.929 4.464 -4.569 1.00 0.00 C ATOM 215 CE2 PHE A 10 4.140 3.408 -3.318 1.00 0.00 C ATOM 216 CZ PHE A 10 5.153 3.335 -4.283 1.00 0.00 C ATOM 0 H PHE A 10 4.504 9.089 -0.783 1.00 0.00 H new ATOM 0 HA PHE A 10 5.400 6.399 -0.382 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.430 7.042 -1.766 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.478 7.876 -2.896 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.293 6.536 -4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.124 4.666 -1.893 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.710 4.408 -5.313 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.541 2.537 -3.098 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.335 2.408 -4.806 1.00 0.00 H new ATOM 226 N LYS A 11 7.232 8.330 -2.325 1.00 0.00 N ATOM 227 CA LYS A 11 8.559 8.422 -2.985 1.00 0.00 C ATOM 228 C LYS A 11 9.700 8.294 -1.970 1.00 0.00 C ATOM 229 O LYS A 11 10.759 7.788 -2.284 1.00 0.00 O ATOM 230 CB LYS A 11 8.673 9.771 -3.696 1.00 0.00 C ATOM 231 CG LYS A 11 7.642 9.850 -4.820 1.00 0.00 C ATOM 232 CD LYS A 11 7.846 11.144 -5.610 1.00 0.00 C ATOM 233 CE LYS A 11 6.739 11.285 -6.656 1.00 0.00 C ATOM 234 NZ LYS A 11 5.734 12.279 -6.185 1.00 0.00 N ATOM 0 H LYS A 11 6.660 9.172 -2.389 1.00 0.00 H new ATOM 0 HA LYS A 11 8.642 7.603 -3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 11 8.513 10.582 -2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.677 9.896 -4.101 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.742 8.989 -5.481 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.634 9.819 -4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.834 12.000 -4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.821 11.135 -6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.163 11.604 -7.609 1.00 0.00 H new ATOM 0 HE3 LYS A 11 6.260 10.321 -6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.981 12.375 -6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.322 11.957 -5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.196 13.200 -6.044 1.00 0.00 H new ATOM 248 N THR A 12 9.519 8.781 -0.775 1.00 0.00 N ATOM 249 CA THR A 12 10.628 8.715 0.224 1.00 0.00 C ATOM 250 C THR A 12 10.455 7.531 1.181 1.00 0.00 C ATOM 251 O THR A 12 11.201 7.396 2.131 1.00 0.00 O ATOM 252 CB THR A 12 10.657 10.016 1.031 1.00 0.00 C ATOM 253 OG1 THR A 12 11.674 9.934 2.019 1.00 0.00 O ATOM 254 CG2 THR A 12 9.303 10.233 1.706 1.00 0.00 C ATOM 0 H THR A 12 8.659 9.219 -0.446 1.00 0.00 H new ATOM 0 HA THR A 12 11.565 8.579 -0.317 1.00 0.00 H new ATOM 0 HB THR A 12 10.863 10.853 0.364 1.00 0.00 H new ATOM 0 HG1 THR A 12 11.845 8.994 2.235 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.327 11.160 2.280 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.524 10.296 0.946 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.092 9.398 2.374 1.00 0.00 H new ATOM 262 N ARG A 13 9.492 6.674 0.960 1.00 0.00 N ATOM 263 CA ARG A 13 9.319 5.518 1.892 1.00 0.00 C ATOM 264 C ARG A 13 9.032 4.225 1.125 1.00 0.00 C ATOM 265 O ARG A 13 9.796 3.281 1.178 1.00 0.00 O ATOM 266 CB ARG A 13 8.162 5.801 2.851 1.00 0.00 C ATOM 267 CG ARG A 13 8.544 6.946 3.789 1.00 0.00 C ATOM 268 CD ARG A 13 7.458 7.121 4.853 1.00 0.00 C ATOM 269 NE ARG A 13 7.759 8.328 5.675 1.00 0.00 N ATOM 270 CZ ARG A 13 7.226 8.458 6.859 1.00 0.00 C ATOM 271 NH1 ARG A 13 6.432 7.534 7.324 1.00 0.00 N ATOM 272 NH2 ARG A 13 7.488 9.515 7.579 1.00 0.00 N ATOM 0 H ARG A 13 8.827 6.721 0.188 1.00 0.00 H new ATOM 0 HA ARG A 13 10.247 5.391 2.449 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.265 6.061 2.289 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.928 4.907 3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.502 6.736 4.264 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.664 7.869 3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.482 7.225 4.379 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.411 6.237 5.489 1.00 0.00 H new ATOM 0 HE ARG A 13 8.381 9.051 5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.227 6.708 6.762 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.016 7.637 8.250 1.00 0.00 H new ATOM 0 HH21 ARG A 13 8.109 10.238 7.216 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.072 9.618 8.505 1.00 0.00 H new ATOM 286 N CYS A 14 7.929 4.156 0.434 1.00 0.00 N ATOM 287 CA CYS A 14 7.595 2.904 -0.303 1.00 0.00 C ATOM 288 C CYS A 14 8.538 2.716 -1.498 1.00 0.00 C ATOM 289 O CYS A 14 8.809 1.608 -1.910 1.00 0.00 O ATOM 290 CB CYS A 14 6.150 2.963 -0.799 1.00 0.00 C ATOM 291 SG CYS A 14 5.107 3.931 0.337 1.00 0.00 S ATOM 0 H CYS A 14 7.246 4.909 0.347 1.00 0.00 H new ATOM 0 HA CYS A 14 7.714 2.060 0.377 1.00 0.00 H new ATOM 0 HB2 CYS A 14 6.121 3.409 -1.793 1.00 0.00 H new ATOM 0 HB3 CYS A 14 5.752 1.952 -0.891 1.00 0.00 H new ATOM 0 HG CYS A 14 4.219 4.591 -0.345 1.00 0.00 H new ATOM 296 N LEU A 15 9.031 3.781 -2.064 1.00 0.00 N ATOM 297 CA LEU A 15 9.942 3.641 -3.237 1.00 0.00 C ATOM 298 C LEU A 15 11.116 2.725 -2.882 1.00 0.00 C ATOM 299 O LEU A 15 11.600 1.976 -3.707 1.00 0.00 O ATOM 300 CB LEU A 15 10.477 5.014 -3.641 1.00 0.00 C ATOM 301 CG LEU A 15 11.326 4.886 -4.910 1.00 0.00 C ATOM 302 CD1 LEU A 15 10.432 4.525 -6.101 1.00 0.00 C ATOM 303 CD2 LEU A 15 12.024 6.219 -5.187 1.00 0.00 C ATOM 0 H LEU A 15 8.845 4.739 -1.768 1.00 0.00 H new ATOM 0 HA LEU A 15 9.384 3.207 -4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.649 5.701 -3.814 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.076 5.434 -2.833 1.00 0.00 H new ATOM 0 HG LEU A 15 12.069 4.101 -4.768 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.042 4.436 -7.000 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.932 3.576 -5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.685 5.306 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.629 6.132 -6.089 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.276 7.000 -5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.665 6.476 -4.344 1.00 0.00 H new ATOM 315 N GLN A 16 11.589 2.791 -1.671 1.00 0.00 N ATOM 316 CA GLN A 16 12.744 1.937 -1.276 1.00 0.00 C ATOM 317 C GLN A 16 12.415 0.456 -1.494 1.00 0.00 C ATOM 318 O GLN A 16 13.266 -0.317 -1.886 1.00 0.00 O ATOM 319 CB GLN A 16 13.064 2.172 0.202 1.00 0.00 C ATOM 320 CG GLN A 16 13.452 3.637 0.418 1.00 0.00 C ATOM 321 CD GLN A 16 14.700 3.964 -0.406 1.00 0.00 C ATOM 322 OE1 GLN A 16 15.681 3.248 -0.354 1.00 0.00 O ATOM 323 NE2 GLN A 16 14.703 5.022 -1.170 1.00 0.00 N ATOM 0 H GLN A 16 11.227 3.399 -0.936 1.00 0.00 H new ATOM 0 HA GLN A 16 13.604 2.201 -1.891 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.199 1.920 0.816 1.00 0.00 H new ATOM 0 HB3 GLN A 16 13.879 1.520 0.516 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.629 4.289 0.125 1.00 0.00 H new ATOM 0 HG3 GLN A 16 13.643 3.821 1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.879 5.622 -1.213 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.529 5.249 -1.724 1.00 0.00 H new ATOM 332 N CYS A 17 11.198 0.049 -1.232 1.00 0.00 N ATOM 333 CA CYS A 17 10.840 -1.391 -1.416 1.00 0.00 C ATOM 334 C CYS A 17 9.859 -1.565 -2.580 1.00 0.00 C ATOM 335 O CYS A 17 9.987 -2.473 -3.377 1.00 0.00 O ATOM 336 CB CYS A 17 10.206 -1.921 -0.125 1.00 0.00 C ATOM 337 SG CYS A 17 11.428 -1.866 1.222 1.00 0.00 S ATOM 0 H CYS A 17 10.441 0.647 -0.901 1.00 0.00 H new ATOM 0 HA CYS A 17 11.746 -1.952 -1.645 1.00 0.00 H new ATOM 0 HB2 CYS A 17 9.334 -1.322 0.137 1.00 0.00 H new ATOM 0 HB3 CYS A 17 9.858 -2.943 -0.272 1.00 0.00 H new ATOM 0 HG CYS A 17 10.888 -2.314 2.316 1.00 0.00 H new ATOM 342 N HIS A 18 8.875 -0.717 -2.683 1.00 0.00 N ATOM 343 CA HIS A 18 7.886 -0.860 -3.795 1.00 0.00 C ATOM 344 C HIS A 18 8.196 0.110 -4.928 1.00 0.00 C ATOM 345 O HIS A 18 8.747 1.170 -4.727 1.00 0.00 O ATOM 346 CB HIS A 18 6.482 -0.531 -3.299 1.00 0.00 C ATOM 347 CG HIS A 18 6.087 -1.453 -2.192 1.00 0.00 C ATOM 348 ND1 HIS A 18 5.753 -2.784 -2.409 1.00 0.00 N ATOM 349 CD2 HIS A 18 5.916 -1.235 -0.854 1.00 0.00 C ATOM 350 CE1 HIS A 18 5.392 -3.305 -1.222 1.00 0.00 C ATOM 351 NE2 HIS A 18 5.474 -2.396 -0.254 1.00 0.00 N ATOM 0 H HIS A 18 8.710 0.066 -2.051 1.00 0.00 H new ATOM 0 HA HIS A 18 7.946 -1.889 -4.148 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.446 0.501 -2.950 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.771 -0.615 -4.121 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.777 -3.275 -3.303 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.098 -0.300 -0.346 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.077 -4.327 -1.074 1.00 0.00 H new ATOM 359 N THR A 19 7.801 -0.240 -6.116 1.00 0.00 N ATOM 360 CA THR A 19 8.015 0.662 -7.278 1.00 0.00 C ATOM 361 C THR A 19 6.723 0.700 -8.101 1.00 0.00 C ATOM 362 O THR A 19 6.362 -0.263 -8.746 1.00 0.00 O ATOM 363 CB THR A 19 9.157 0.130 -8.142 1.00 0.00 C ATOM 364 OG1 THR A 19 9.867 -0.869 -7.423 1.00 0.00 O ATOM 365 CG2 THR A 19 10.106 1.276 -8.500 1.00 0.00 C ATOM 0 H THR A 19 7.335 -1.120 -6.335 1.00 0.00 H new ATOM 0 HA THR A 19 8.273 1.663 -6.933 1.00 0.00 H new ATOM 0 HB THR A 19 8.750 -0.300 -9.057 1.00 0.00 H new ATOM 0 HG1 THR A 19 9.750 -1.736 -7.865 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.920 0.895 -9.116 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.560 2.041 -9.052 1.00 0.00 H new ATOM 0 HG23 THR A 19 10.514 1.709 -7.587 1.00 0.00 H new ATOM 373 N VAL A 20 6.019 1.798 -8.083 1.00 0.00 N ATOM 374 CA VAL A 20 4.749 1.876 -8.863 1.00 0.00 C ATOM 375 C VAL A 20 5.068 1.789 -10.355 1.00 0.00 C ATOM 376 O VAL A 20 4.212 1.505 -11.169 1.00 0.00 O ATOM 377 CB VAL A 20 4.049 3.206 -8.572 1.00 0.00 C ATOM 378 CG1 VAL A 20 3.807 3.339 -7.068 1.00 0.00 C ATOM 379 CG2 VAL A 20 4.933 4.361 -9.049 1.00 0.00 C ATOM 0 H VAL A 20 6.265 2.641 -7.565 1.00 0.00 H new ATOM 0 HA VAL A 20 4.095 1.052 -8.577 1.00 0.00 H new ATOM 0 HB VAL A 20 3.094 3.236 -9.097 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.309 4.286 -6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 20 3.179 2.517 -6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.761 3.309 -6.542 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.436 5.309 -8.843 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.887 4.330 -8.523 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.106 4.268 -10.121 1.00 0.00 H new ATOM 389 N GLU A 21 6.298 2.029 -10.720 1.00 0.00 N ATOM 390 CA GLU A 21 6.676 1.957 -12.159 1.00 0.00 C ATOM 391 C GLU A 21 6.263 0.599 -12.723 1.00 0.00 C ATOM 392 O GLU A 21 6.216 -0.390 -12.018 1.00 0.00 O ATOM 393 CB GLU A 21 8.188 2.130 -12.305 1.00 0.00 C ATOM 394 CG GLU A 21 8.595 3.524 -11.824 1.00 0.00 C ATOM 395 CD GLU A 21 7.924 4.586 -12.699 1.00 0.00 C ATOM 396 OE1 GLU A 21 7.505 4.246 -13.793 1.00 0.00 O ATOM 397 OE2 GLU A 21 7.840 5.720 -12.258 1.00 0.00 O ATOM 0 H GLU A 21 7.057 2.272 -10.083 1.00 0.00 H new ATOM 0 HA GLU A 21 6.169 2.751 -12.706 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.709 1.368 -11.725 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.481 1.994 -13.346 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.304 3.660 -10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.679 3.633 -11.869 1.00 0.00 H new ATOM 404 N LYS A 22 5.956 0.545 -13.987 1.00 0.00 N ATOM 405 CA LYS A 22 5.537 -0.748 -14.595 1.00 0.00 C ATOM 406 C LYS A 22 6.721 -1.717 -14.606 1.00 0.00 C ATOM 407 O LYS A 22 7.856 -1.326 -14.800 1.00 0.00 O ATOM 408 CB LYS A 22 5.061 -0.509 -16.029 1.00 0.00 C ATOM 409 CG LYS A 22 3.810 0.372 -16.011 1.00 0.00 C ATOM 410 CD LYS A 22 3.266 0.515 -17.434 1.00 0.00 C ATOM 411 CE LYS A 22 2.089 1.492 -17.436 1.00 0.00 C ATOM 412 NZ LYS A 22 2.553 2.828 -17.907 1.00 0.00 N ATOM 0 H LYS A 22 5.977 1.340 -14.626 1.00 0.00 H new ATOM 0 HA LYS A 22 4.724 -1.176 -14.009 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.849 -0.029 -16.610 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.842 -1.460 -16.514 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.052 -0.068 -15.363 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.049 1.353 -15.601 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.051 0.874 -18.100 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.946 -0.456 -17.812 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.296 1.121 -18.085 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.669 1.574 -16.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.753 3.493 -17.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.296 3.182 -17.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.934 2.743 -18.871 1.00 0.00 H new ATOM 426 N GLY A 23 6.463 -2.978 -14.395 1.00 0.00 N ATOM 427 CA GLY A 23 7.567 -3.982 -14.387 1.00 0.00 C ATOM 428 C GLY A 23 7.834 -4.431 -12.951 1.00 0.00 C ATOM 429 O GLY A 23 8.251 -5.546 -12.706 1.00 0.00 O ATOM 0 H GLY A 23 5.532 -3.359 -14.227 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.298 -4.840 -15.004 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.470 -3.550 -14.818 1.00 0.00 H new ATOM 433 N GLY A 24 7.584 -3.578 -11.997 1.00 0.00 N ATOM 434 CA GLY A 24 7.807 -3.961 -10.575 1.00 0.00 C ATOM 435 C GLY A 24 9.175 -4.638 -10.416 1.00 0.00 C ATOM 436 O GLY A 24 9.250 -5.813 -10.119 1.00 0.00 O ATOM 0 H GLY A 24 7.234 -2.631 -12.141 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.755 -3.076 -9.940 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.018 -4.637 -10.245 1.00 0.00 H new ATOM 440 N PRO A 25 10.254 -3.913 -10.606 1.00 0.00 N ATOM 441 CA PRO A 25 11.625 -4.485 -10.469 1.00 0.00 C ATOM 442 C PRO A 25 11.828 -5.167 -9.114 1.00 0.00 C ATOM 443 O PRO A 25 12.652 -6.049 -8.970 1.00 0.00 O ATOM 444 CB PRO A 25 12.567 -3.281 -10.606 1.00 0.00 C ATOM 445 CG PRO A 25 11.703 -2.060 -10.569 1.00 0.00 C ATOM 446 CD PRO A 25 10.295 -2.490 -10.970 1.00 0.00 C ATOM 0 HA PRO A 25 11.809 -5.254 -11.219 1.00 0.00 H new ATOM 0 HB2 PRO A 25 13.296 -3.265 -9.796 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.128 -3.331 -11.539 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.701 -1.620 -9.572 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.082 -1.300 -11.252 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.534 -1.918 -10.439 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.119 -2.343 -12.036 1.00 0.00 H new ATOM 454 N HIS A 26 11.080 -4.768 -8.122 1.00 0.00 N ATOM 455 CA HIS A 26 11.225 -5.395 -6.778 1.00 0.00 C ATOM 456 C HIS A 26 12.662 -5.233 -6.283 1.00 0.00 C ATOM 457 O HIS A 26 13.321 -6.196 -5.944 1.00 0.00 O ATOM 458 CB HIS A 26 10.890 -6.884 -6.864 1.00 0.00 C ATOM 459 CG HIS A 26 9.595 -7.065 -7.596 1.00 0.00 C ATOM 460 ND1 HIS A 26 8.456 -6.336 -7.284 1.00 0.00 N ATOM 461 CD2 HIS A 26 9.241 -7.893 -8.627 1.00 0.00 C ATOM 462 CE1 HIS A 26 7.478 -6.738 -8.117 1.00 0.00 C ATOM 463 NE2 HIS A 26 7.908 -7.685 -8.953 1.00 0.00 N ATOM 0 H HIS A 26 10.374 -4.034 -8.184 1.00 0.00 H new ATOM 0 HA HIS A 26 10.542 -4.905 -6.084 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.689 -7.418 -7.379 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.816 -7.309 -5.863 1.00 0.00 H new ATOM 0 HD1 HIS A 26 8.375 -5.626 -6.557 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.898 -8.600 -9.112 1.00 0.00 H new ATOM 0 HE1 HIS A 26 6.472 -6.344 -8.110 1.00 0.00 H new ATOM 472 N LYS A 27 13.158 -4.028 -6.236 1.00 0.00 N ATOM 473 CA LYS A 27 14.556 -3.828 -5.759 1.00 0.00 C ATOM 474 C LYS A 27 14.729 -4.543 -4.417 1.00 0.00 C ATOM 475 O LYS A 27 15.730 -5.188 -4.173 1.00 0.00 O ATOM 476 CB LYS A 27 14.816 -2.326 -5.585 1.00 0.00 C ATOM 477 CG LYS A 27 16.262 -2.082 -5.138 1.00 0.00 C ATOM 478 CD LYS A 27 17.209 -2.208 -6.336 1.00 0.00 C ATOM 479 CE LYS A 27 18.608 -1.741 -5.931 1.00 0.00 C ATOM 480 NZ LYS A 27 19.271 -2.801 -5.122 1.00 0.00 N ATOM 0 H LYS A 27 12.661 -3.179 -6.505 1.00 0.00 H new ATOM 0 HA LYS A 27 15.263 -4.235 -6.482 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.626 -1.806 -6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.126 -1.914 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.352 -1.090 -4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.539 -2.801 -4.367 1.00 0.00 H new ATOM 0 HD2 LYS A 27 17.244 -3.242 -6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 27 16.841 -1.609 -7.169 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.201 -1.522 -6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.542 -0.817 -5.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 20.222 -2.484 -4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.708 -2.989 -4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.346 -3.672 -5.686 1.00 0.00 H new ATOM 494 N VAL A 28 13.759 -4.439 -3.550 1.00 0.00 N ATOM 495 CA VAL A 28 13.856 -5.117 -2.224 1.00 0.00 C ATOM 496 C VAL A 28 12.630 -6.010 -2.018 1.00 0.00 C ATOM 497 O VAL A 28 12.747 -7.204 -1.822 1.00 0.00 O ATOM 498 CB VAL A 28 13.910 -4.069 -1.115 1.00 0.00 C ATOM 499 CG1 VAL A 28 14.554 -4.679 0.130 1.00 0.00 C ATOM 500 CG2 VAL A 28 14.738 -2.871 -1.584 1.00 0.00 C ATOM 0 H VAL A 28 12.899 -3.912 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 28 14.761 -5.724 -2.194 1.00 0.00 H new ATOM 0 HB VAL A 28 12.899 -3.739 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.593 -3.932 0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.963 -5.532 0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.565 -5.009 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.776 -2.123 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.750 -3.199 -1.823 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.279 -2.436 -2.472 1.00 0.00 H new ATOM 510 N GLY A 29 11.456 -5.437 -2.059 1.00 0.00 N ATOM 511 CA GLY A 29 10.214 -6.243 -1.864 1.00 0.00 C ATOM 512 C GLY A 29 9.279 -6.045 -3.060 1.00 0.00 C ATOM 513 O GLY A 29 9.485 -5.173 -3.881 1.00 0.00 O ATOM 0 H GLY A 29 11.303 -4.441 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.466 -7.298 -1.758 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.713 -5.941 -0.944 1.00 0.00 H new ATOM 517 N PRO A 30 8.256 -6.852 -3.150 1.00 0.00 N ATOM 518 CA PRO A 30 7.262 -6.778 -4.253 1.00 0.00 C ATOM 519 C PRO A 30 6.823 -5.341 -4.534 1.00 0.00 C ATOM 520 O PRO A 30 6.825 -4.498 -3.659 1.00 0.00 O ATOM 521 CB PRO A 30 6.068 -7.605 -3.762 1.00 0.00 C ATOM 522 CG PRO A 30 6.453 -8.192 -2.436 1.00 0.00 C ATOM 523 CD PRO A 30 7.941 -7.925 -2.211 1.00 0.00 C ATOM 0 HA PRO A 30 7.684 -7.151 -5.186 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.181 -6.979 -3.663 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.825 -8.392 -4.476 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.861 -7.746 -1.636 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.252 -9.263 -2.422 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.141 -7.626 -1.182 1.00 0.00 H new ATOM 0 HD3 PRO A 30 8.540 -8.815 -2.407 1.00 0.00 H new ATOM 531 N ASN A 31 6.463 -5.056 -5.754 1.00 0.00 N ATOM 532 CA ASN A 31 6.039 -3.675 -6.110 1.00 0.00 C ATOM 533 C ASN A 31 4.549 -3.659 -6.466 1.00 0.00 C ATOM 534 O ASN A 31 4.107 -4.371 -7.346 1.00 0.00 O ATOM 535 CB ASN A 31 6.846 -3.221 -7.321 1.00 0.00 C ATOM 536 CG ASN A 31 8.335 -3.229 -6.976 1.00 0.00 C ATOM 537 OD1 ASN A 31 9.171 -3.027 -7.835 1.00 0.00 O ATOM 538 ND2 ASN A 31 8.707 -3.453 -5.745 1.00 0.00 N ATOM 0 H ASN A 31 6.444 -5.725 -6.524 1.00 0.00 H new ATOM 0 HA ASN A 31 6.209 -3.009 -5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 31 6.655 -3.881 -8.167 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.537 -2.220 -7.622 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.698 -3.458 -5.505 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.006 -3.623 -5.023 1.00 0.00 H new ATOM 545 N LEU A 32 3.771 -2.846 -5.801 1.00 0.00 N ATOM 546 CA LEU A 32 2.320 -2.785 -6.119 1.00 0.00 C ATOM 547 C LEU A 32 2.060 -1.659 -7.119 1.00 0.00 C ATOM 548 O LEU A 32 2.734 -0.648 -7.127 1.00 0.00 O ATOM 549 CB LEU A 32 1.504 -2.490 -4.859 1.00 0.00 C ATOM 550 CG LEU A 32 1.705 -3.555 -3.762 1.00 0.00 C ATOM 551 CD1 LEU A 32 2.063 -4.922 -4.356 1.00 0.00 C ATOM 552 CD2 LEU A 32 2.819 -3.105 -2.820 1.00 0.00 C ATOM 0 H LEU A 32 4.080 -2.224 -5.054 1.00 0.00 H new ATOM 0 HA LEU A 32 2.025 -3.748 -6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.786 -1.513 -4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.447 -2.436 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 32 0.766 -3.661 -3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.196 -5.645 -3.551 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.260 -5.255 -5.013 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.988 -4.840 -4.927 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.964 -3.856 -2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.744 -2.982 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.545 -2.155 -2.360 1.00 0.00 H new ATOM 564 N HIS A 33 1.076 -1.831 -7.951 1.00 0.00 N ATOM 565 CA HIS A 33 0.742 -0.783 -8.948 1.00 0.00 C ATOM 566 C HIS A 33 -0.612 -1.105 -9.580 1.00 0.00 C ATOM 567 O HIS A 33 -0.694 -1.789 -10.582 1.00 0.00 O ATOM 568 CB HIS A 33 1.823 -0.754 -10.028 1.00 0.00 C ATOM 569 CG HIS A 33 1.474 0.280 -11.062 1.00 0.00 C ATOM 570 ND1 HIS A 33 1.463 1.639 -10.776 1.00 0.00 N ATOM 571 CD2 HIS A 33 1.120 0.172 -12.385 1.00 0.00 C ATOM 572 CE1 HIS A 33 1.113 2.287 -11.903 1.00 0.00 C ATOM 573 NE2 HIS A 33 0.894 1.439 -12.908 1.00 0.00 N ATOM 0 H HIS A 33 0.483 -2.661 -7.983 1.00 0.00 H new ATOM 0 HA HIS A 33 0.692 0.191 -8.461 1.00 0.00 H new ATOM 0 HB2 HIS A 33 2.791 -0.525 -9.582 1.00 0.00 H new ATOM 0 HB3 HIS A 33 1.911 -1.735 -10.495 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.031 -0.754 -12.933 1.00 0.00 H new ATOM 0 HE1 HIS A 33 1.021 3.360 -11.983 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.618 1.672 -13.862 1.00 0.00 H new ATOM 582 N GLY A 34 -1.676 -0.613 -9.007 1.00 0.00 N ATOM 583 CA GLY A 34 -3.024 -0.887 -9.577 1.00 0.00 C ATOM 584 C GLY A 34 -3.685 -2.053 -8.836 1.00 0.00 C ATOM 585 O GLY A 34 -4.762 -2.488 -9.193 1.00 0.00 O ATOM 0 H GLY A 34 -1.669 -0.033 -8.168 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.648 0.003 -9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.937 -1.123 -10.638 1.00 0.00 H new ATOM 589 N ILE A 35 -3.062 -2.565 -7.806 1.00 0.00 N ATOM 590 CA ILE A 35 -3.686 -3.697 -7.062 1.00 0.00 C ATOM 591 C ILE A 35 -4.939 -3.199 -6.350 1.00 0.00 C ATOM 592 O ILE A 35 -5.736 -3.969 -5.859 1.00 0.00 O ATOM 593 CB ILE A 35 -2.703 -4.264 -6.032 1.00 0.00 C ATOM 594 CG1 ILE A 35 -2.588 -3.318 -4.829 1.00 0.00 C ATOM 595 CG2 ILE A 35 -1.330 -4.426 -6.677 1.00 0.00 C ATOM 596 CD1 ILE A 35 -3.437 -3.846 -3.669 1.00 0.00 C ATOM 0 H ILE A 35 -2.158 -2.252 -7.452 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.948 -4.486 -7.767 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.070 -5.232 -5.690 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.546 -3.233 -4.520 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.920 -2.318 -5.108 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.630 -4.829 -5.946 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.404 -5.109 -7.523 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.974 -3.456 -7.024 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.351 -3.170 -2.818 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.480 -3.907 -3.980 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.085 -4.837 -3.382 1.00 0.00 H new ATOM 608 N PHE A 36 -5.117 -1.909 -6.292 1.00 0.00 N ATOM 609 CA PHE A 36 -6.314 -1.351 -5.611 1.00 0.00 C ATOM 610 C PHE A 36 -7.569 -2.073 -6.107 1.00 0.00 C ATOM 611 O PHE A 36 -8.542 -2.197 -5.391 1.00 0.00 O ATOM 612 CB PHE A 36 -6.420 0.144 -5.922 1.00 0.00 C ATOM 613 CG PHE A 36 -5.566 0.932 -4.954 1.00 0.00 C ATOM 614 CD1 PHE A 36 -4.167 0.814 -4.976 1.00 0.00 C ATOM 615 CD2 PHE A 36 -6.179 1.792 -4.033 1.00 0.00 C ATOM 616 CE1 PHE A 36 -3.390 1.555 -4.075 1.00 0.00 C ATOM 617 CE2 PHE A 36 -5.403 2.532 -3.136 1.00 0.00 C ATOM 618 CZ PHE A 36 -4.008 2.414 -3.157 1.00 0.00 C ATOM 0 H PHE A 36 -4.482 -1.216 -6.689 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.223 -1.492 -4.534 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.097 0.335 -6.945 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.459 0.467 -5.850 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.691 0.154 -5.686 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.255 1.883 -4.016 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.314 1.464 -4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.879 3.194 -2.428 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.408 2.986 -2.465 1.00 0.00 H new ATOM 628 N GLY A 37 -7.559 -2.546 -7.325 1.00 0.00 N ATOM 629 CA GLY A 37 -8.755 -3.258 -7.865 1.00 0.00 C ATOM 630 C GLY A 37 -8.436 -4.745 -8.055 1.00 0.00 C ATOM 631 O GLY A 37 -8.940 -5.382 -8.960 1.00 0.00 O ATOM 0 H GLY A 37 -6.773 -2.470 -7.971 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.597 -3.142 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.053 -2.817 -8.816 1.00 0.00 H new ATOM 635 N ARG A 38 -7.602 -5.302 -7.217 1.00 0.00 N ATOM 636 CA ARG A 38 -7.252 -6.748 -7.359 1.00 0.00 C ATOM 637 C ARG A 38 -7.337 -7.450 -6.005 1.00 0.00 C ATOM 638 O ARG A 38 -7.432 -6.824 -4.969 1.00 0.00 O ATOM 639 CB ARG A 38 -5.826 -6.885 -7.898 1.00 0.00 C ATOM 640 CG ARG A 38 -5.743 -6.323 -9.319 1.00 0.00 C ATOM 641 CD ARG A 38 -6.349 -7.322 -10.312 1.00 0.00 C ATOM 642 NE ARG A 38 -6.001 -6.912 -11.702 1.00 0.00 N ATOM 643 CZ ARG A 38 -6.653 -5.939 -12.277 1.00 0.00 C ATOM 644 NH1 ARG A 38 -7.610 -5.326 -11.636 1.00 0.00 N ATOM 645 NH2 ARG A 38 -6.350 -5.581 -13.494 1.00 0.00 N ATOM 0 H ARG A 38 -7.148 -4.820 -6.441 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.958 -7.208 -8.051 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.131 -6.354 -7.248 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.527 -7.933 -7.895 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -6.275 -5.373 -9.375 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.704 -6.123 -9.580 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.972 -8.325 -10.112 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.432 -7.359 -10.192 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.254 -7.392 -12.204 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -7.849 -5.607 -10.685 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -8.119 -4.565 -12.086 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.603 -6.062 -13.996 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.860 -4.820 -13.944 1.00 0.00 H new ATOM 659 N HIS A 39 -7.292 -8.755 -6.014 1.00 0.00 N ATOM 660 CA HIS A 39 -7.357 -9.517 -4.738 1.00 0.00 C ATOM 661 C HIS A 39 -5.947 -9.687 -4.183 1.00 0.00 C ATOM 662 O HIS A 39 -4.985 -9.759 -4.922 1.00 0.00 O ATOM 663 CB HIS A 39 -7.965 -10.896 -4.993 1.00 0.00 C ATOM 664 CG HIS A 39 -9.462 -10.789 -5.069 1.00 0.00 C ATOM 665 ND1 HIS A 39 -10.093 -9.940 -5.963 1.00 0.00 N ATOM 666 CD2 HIS A 39 -10.466 -11.434 -4.390 1.00 0.00 C ATOM 667 CE1 HIS A 39 -11.419 -10.097 -5.805 1.00 0.00 C ATOM 668 NE2 HIS A 39 -11.698 -10.993 -4.859 1.00 0.00 N ATOM 0 H HIS A 39 -7.213 -9.327 -6.855 1.00 0.00 H new ATOM 0 HA HIS A 39 -7.975 -8.974 -4.023 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.574 -11.309 -5.923 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.681 -11.582 -4.195 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -10.321 -12.169 -3.613 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -12.165 -9.563 -6.374 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -12.621 -11.292 -4.545 1.00 0.00 H new ATOM 677 N SER A 40 -5.812 -9.751 -2.889 1.00 0.00 N ATOM 678 CA SER A 40 -4.458 -9.916 -2.304 1.00 0.00 C ATOM 679 C SER A 40 -3.803 -11.161 -2.892 1.00 0.00 C ATOM 680 O SER A 40 -4.433 -12.185 -3.072 1.00 0.00 O ATOM 681 CB SER A 40 -4.561 -10.069 -0.787 1.00 0.00 C ATOM 682 OG SER A 40 -4.407 -8.797 -0.177 1.00 0.00 O ATOM 0 H SER A 40 -6.577 -9.696 -2.216 1.00 0.00 H new ATOM 0 HA SER A 40 -3.857 -9.037 -2.536 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.525 -10.500 -0.518 1.00 0.00 H new ATOM 0 HB3 SER A 40 -3.794 -10.754 -0.426 1.00 0.00 H new ATOM 0 HG SER A 40 -4.933 -8.132 -0.669 1.00 0.00 H new ATOM 688 N GLY A 41 -2.540 -11.079 -3.190 1.00 0.00 N ATOM 689 CA GLY A 41 -1.829 -12.253 -3.765 1.00 0.00 C ATOM 690 C GLY A 41 -1.614 -12.045 -5.261 1.00 0.00 C ATOM 691 O GLY A 41 -0.853 -12.753 -5.889 1.00 0.00 O ATOM 0 H GLY A 41 -1.966 -10.246 -3.060 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.870 -12.389 -3.266 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.409 -13.160 -3.594 1.00 0.00 H new ATOM 695 N GLN A 42 -2.272 -11.078 -5.840 1.00 0.00 N ATOM 696 CA GLN A 42 -2.091 -10.834 -7.297 1.00 0.00 C ATOM 697 C GLN A 42 -1.162 -9.638 -7.498 1.00 0.00 C ATOM 698 O GLN A 42 -1.448 -8.537 -7.072 1.00 0.00 O ATOM 699 CB GLN A 42 -3.449 -10.548 -7.937 1.00 0.00 C ATOM 700 CG GLN A 42 -4.343 -11.778 -7.780 1.00 0.00 C ATOM 701 CD GLN A 42 -5.723 -11.489 -8.373 1.00 0.00 C ATOM 702 OE1 GLN A 42 -6.074 -10.348 -8.598 1.00 0.00 O ATOM 703 NE2 GLN A 42 -6.527 -12.483 -8.639 1.00 0.00 N ATOM 0 H GLN A 42 -2.923 -10.450 -5.369 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.652 -11.715 -7.765 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.913 -9.683 -7.464 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.324 -10.306 -8.992 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.892 -12.634 -8.282 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -4.437 -12.040 -6.726 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.233 -13.441 -8.450 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.449 -12.301 -9.035 1.00 0.00 H new ATOM 712 N ALA A 43 -0.050 -9.851 -8.147 1.00 0.00 N ATOM 713 CA ALA A 43 0.907 -8.736 -8.385 1.00 0.00 C ATOM 714 C ALA A 43 1.267 -8.681 -9.870 1.00 0.00 C ATOM 715 O ALA A 43 1.201 -9.668 -10.574 1.00 0.00 O ATOM 716 CB ALA A 43 2.178 -8.968 -7.571 1.00 0.00 C ATOM 0 H ALA A 43 0.237 -10.754 -8.524 1.00 0.00 H new ATOM 0 HA ALA A 43 0.445 -7.796 -8.083 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.877 -8.150 -7.747 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.928 -9.010 -6.511 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.637 -9.909 -7.873 1.00 0.00 H new ATOM 722 N GLU A 44 1.654 -7.532 -10.345 1.00 0.00 N ATOM 723 CA GLU A 44 2.028 -7.402 -11.779 1.00 0.00 C ATOM 724 C GLU A 44 3.458 -7.897 -11.971 1.00 0.00 C ATOM 725 O GLU A 44 3.788 -8.518 -12.962 1.00 0.00 O ATOM 726 CB GLU A 44 1.934 -5.934 -12.201 1.00 0.00 C ATOM 727 CG GLU A 44 0.480 -5.468 -12.107 1.00 0.00 C ATOM 728 CD GLU A 44 0.376 -4.021 -12.591 1.00 0.00 C ATOM 729 OE1 GLU A 44 1.411 -3.412 -12.806 1.00 0.00 O ATOM 730 OE2 GLU A 44 -0.739 -3.546 -12.740 1.00 0.00 O ATOM 0 H GLU A 44 1.728 -6.673 -9.799 1.00 0.00 H new ATOM 0 HA GLU A 44 1.349 -7.997 -12.390 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.566 -5.319 -11.560 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.300 -5.813 -13.220 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.159 -6.112 -12.711 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.128 -5.545 -11.078 1.00 0.00 H new ATOM 737 N GLY A 45 4.313 -7.619 -11.026 1.00 0.00 N ATOM 738 CA GLY A 45 5.726 -8.062 -11.144 1.00 0.00 C ATOM 739 C GLY A 45 5.945 -9.331 -10.320 1.00 0.00 C ATOM 740 O GLY A 45 6.104 -10.407 -10.860 1.00 0.00 O ATOM 0 H GLY A 45 4.091 -7.102 -10.175 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.971 -8.250 -12.189 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.394 -7.273 -10.797 1.00 0.00 H new ATOM 744 N TYR A 46 5.965 -9.212 -9.015 1.00 0.00 N ATOM 745 CA TYR A 46 6.188 -10.415 -8.159 1.00 0.00 C ATOM 746 C TYR A 46 4.978 -10.695 -7.286 1.00 0.00 C ATOM 747 O TYR A 46 4.497 -9.840 -6.568 1.00 0.00 O ATOM 748 CB TYR A 46 7.414 -10.200 -7.267 1.00 0.00 C ATOM 749 CG TYR A 46 7.385 -11.191 -6.124 1.00 0.00 C ATOM 750 CD1 TYR A 46 7.193 -12.555 -6.379 1.00 0.00 C ATOM 751 CD2 TYR A 46 7.544 -10.743 -4.804 1.00 0.00 C ATOM 752 CE1 TYR A 46 7.162 -13.468 -5.318 1.00 0.00 C ATOM 753 CE2 TYR A 46 7.511 -11.658 -3.746 1.00 0.00 C ATOM 754 CZ TYR A 46 7.321 -13.020 -4.002 1.00 0.00 C ATOM 755 OH TYR A 46 7.289 -13.921 -2.957 1.00 0.00 O ATOM 0 H TYR A 46 5.837 -8.336 -8.508 1.00 0.00 H new ATOM 0 HA TYR A 46 6.352 -11.270 -8.815 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.327 -10.326 -7.849 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.421 -9.181 -6.879 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.069 -12.902 -7.394 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.692 -9.692 -4.605 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.015 -14.520 -5.516 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.632 -11.312 -2.730 1.00 0.00 H new ATOM 0 HH TYR A 46 7.416 -13.444 -2.110 1.00 0.00 H new ATOM 765 N SER A 47 4.494 -11.905 -7.330 1.00 0.00 N ATOM 766 CA SER A 47 3.327 -12.265 -6.496 1.00 0.00 C ATOM 767 C SER A 47 3.746 -12.237 -5.029 1.00 0.00 C ATOM 768 O SER A 47 4.902 -12.405 -4.696 1.00 0.00 O ATOM 769 CB SER A 47 2.846 -13.669 -6.865 1.00 0.00 C ATOM 770 OG SER A 47 3.752 -14.629 -6.339 1.00 0.00 O ATOM 0 H SER A 47 4.861 -12.658 -7.911 1.00 0.00 H new ATOM 0 HA SER A 47 2.517 -11.555 -6.665 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.846 -13.840 -6.467 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.779 -13.770 -7.948 1.00 0.00 H new ATOM 0 HG SER A 47 3.446 -15.530 -6.572 1.00 0.00 H new ATOM 776 N TYR A 48 2.815 -12.018 -4.158 1.00 0.00 N ATOM 777 CA TYR A 48 3.139 -11.964 -2.708 1.00 0.00 C ATOM 778 C TYR A 48 3.692 -13.310 -2.228 1.00 0.00 C ATOM 779 O TYR A 48 3.902 -14.224 -3.000 1.00 0.00 O ATOM 780 CB TYR A 48 1.877 -11.641 -1.921 1.00 0.00 C ATOM 781 CG TYR A 48 1.401 -10.250 -2.254 1.00 0.00 C ATOM 782 CD1 TYR A 48 0.703 -10.008 -3.444 1.00 0.00 C ATOM 783 CD2 TYR A 48 1.641 -9.205 -1.357 1.00 0.00 C ATOM 784 CE1 TYR A 48 0.244 -8.719 -3.732 1.00 0.00 C ATOM 785 CE2 TYR A 48 1.188 -7.918 -1.649 1.00 0.00 C ATOM 786 CZ TYR A 48 0.488 -7.673 -2.835 1.00 0.00 C ATOM 787 OH TYR A 48 0.025 -6.405 -3.111 1.00 0.00 O ATOM 0 H TYR A 48 1.832 -11.872 -4.386 1.00 0.00 H new ATOM 0 HA TYR A 48 3.892 -11.193 -2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 48 1.098 -12.366 -2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 48 2.075 -11.720 -0.852 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.520 -10.815 -4.138 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.177 -9.394 -0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.299 -8.531 -4.647 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.378 -7.110 -0.958 1.00 0.00 H new ATOM 0 HH TYR A 48 0.361 -5.780 -2.435 1.00 0.00 H new ATOM 797 N THR A 49 3.925 -13.426 -0.946 1.00 0.00 N ATOM 798 CA THR A 49 4.460 -14.698 -0.382 1.00 0.00 C ATOM 799 C THR A 49 3.366 -15.767 -0.405 1.00 0.00 C ATOM 800 O THR A 49 2.194 -15.471 -0.297 1.00 0.00 O ATOM 801 CB THR A 49 4.912 -14.461 1.061 1.00 0.00 C ATOM 802 OG1 THR A 49 5.838 -13.383 1.092 1.00 0.00 O ATOM 803 CG2 THR A 49 5.580 -15.724 1.606 1.00 0.00 C ATOM 0 H THR A 49 3.766 -12.687 -0.261 1.00 0.00 H new ATOM 0 HA THR A 49 5.307 -15.034 -0.980 1.00 0.00 H new ATOM 0 HB THR A 49 4.046 -14.218 1.677 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.567 -12.739 1.779 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.901 -15.552 2.633 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.870 -16.551 1.581 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.446 -15.971 0.992 1.00 0.00 H new ATOM 811 N ASP A 50 3.738 -17.009 -0.550 1.00 0.00 N ATOM 812 CA ASP A 50 2.722 -18.095 -0.592 1.00 0.00 C ATOM 813 C ASP A 50 1.740 -17.942 0.574 1.00 0.00 C ATOM 814 O ASP A 50 0.557 -18.180 0.430 1.00 0.00 O ATOM 815 CB ASP A 50 3.431 -19.445 -0.488 1.00 0.00 C ATOM 816 CG ASP A 50 4.241 -19.696 -1.760 1.00 0.00 C ATOM 817 OD1 ASP A 50 4.055 -18.956 -2.713 1.00 0.00 O ATOM 818 OD2 ASP A 50 5.033 -20.624 -1.761 1.00 0.00 O ATOM 0 H ASP A 50 4.706 -17.318 -0.641 1.00 0.00 H new ATOM 0 HA ASP A 50 2.169 -18.037 -1.529 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.088 -19.457 0.382 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.700 -20.241 -0.347 1.00 0.00 H new ATOM 823 N ALA A 51 2.210 -17.546 1.726 1.00 0.00 N ATOM 824 CA ALA A 51 1.282 -17.385 2.882 1.00 0.00 C ATOM 825 C ALA A 51 0.269 -16.283 2.563 1.00 0.00 C ATOM 826 O ALA A 51 -0.927 -16.495 2.593 1.00 0.00 O ATOM 827 CB ALA A 51 2.080 -17.001 4.129 1.00 0.00 C ATOM 0 H ALA A 51 3.188 -17.329 1.916 1.00 0.00 H new ATOM 0 HA ALA A 51 0.758 -18.323 3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.401 -16.883 4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.805 -17.784 4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.604 -16.062 3.951 1.00 0.00 H new ATOM 833 N ASN A 52 0.743 -15.113 2.241 1.00 0.00 N ATOM 834 CA ASN A 52 -0.185 -13.999 1.900 1.00 0.00 C ATOM 835 C ASN A 52 -1.055 -14.413 0.715 1.00 0.00 C ATOM 836 O ASN A 52 -2.246 -14.171 0.687 1.00 0.00 O ATOM 837 CB ASN A 52 0.632 -12.768 1.519 1.00 0.00 C ATOM 838 CG ASN A 52 -0.299 -11.688 0.966 1.00 0.00 C ATOM 839 OD1 ASN A 52 -1.490 -11.895 0.858 1.00 0.00 O ATOM 840 ND2 ASN A 52 0.198 -10.536 0.607 1.00 0.00 N ATOM 0 H ASN A 52 1.735 -14.879 2.199 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.819 -13.771 2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.167 -12.390 2.390 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.382 -13.033 0.774 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.414 -9.810 0.236 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.199 -10.362 0.698 1.00 0.00 H new ATOM 847 N ILE A 53 -0.466 -15.040 -0.266 1.00 0.00 N ATOM 848 CA ILE A 53 -1.252 -15.476 -1.452 1.00 0.00 C ATOM 849 C ILE A 53 -2.343 -16.448 -1.007 1.00 0.00 C ATOM 850 O ILE A 53 -3.435 -16.452 -1.541 1.00 0.00 O ATOM 851 CB ILE A 53 -0.328 -16.149 -2.461 1.00 0.00 C ATOM 852 CG1 ILE A 53 0.683 -15.122 -2.978 1.00 0.00 C ATOM 853 CG2 ILE A 53 -1.152 -16.691 -3.630 1.00 0.00 C ATOM 854 CD1 ILE A 53 1.743 -15.828 -3.826 1.00 0.00 C ATOM 0 H ILE A 53 0.527 -15.269 -0.296 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.716 -14.609 -1.923 1.00 0.00 H new ATOM 0 HB ILE A 53 0.199 -16.974 -1.982 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.174 -14.363 -3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.155 -14.608 -2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.490 -17.172 -4.350 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.874 -17.418 -3.260 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.680 -15.870 -4.115 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.462 -15.096 -4.193 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.260 -16.571 -3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.263 -16.321 -4.671 1.00 0.00 H new ATOM 866 N LYS A 54 -2.071 -17.260 -0.020 1.00 0.00 N ATOM 867 CA LYS A 54 -3.117 -18.204 0.455 1.00 0.00 C ATOM 868 C LYS A 54 -4.356 -17.390 0.808 1.00 0.00 C ATOM 869 O LYS A 54 -5.470 -17.749 0.484 1.00 0.00 O ATOM 870 CB LYS A 54 -2.617 -18.944 1.692 1.00 0.00 C ATOM 871 CG LYS A 54 -3.682 -19.936 2.156 1.00 0.00 C ATOM 872 CD LYS A 54 -3.207 -20.640 3.428 1.00 0.00 C ATOM 873 CE LYS A 54 -4.192 -21.749 3.798 1.00 0.00 C ATOM 874 NZ LYS A 54 -3.796 -23.015 3.117 1.00 0.00 N ATOM 0 H LYS A 54 -1.179 -17.309 0.472 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.350 -18.936 -0.318 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.689 -19.469 1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.394 -18.234 2.488 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.621 -19.415 2.345 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.876 -20.669 1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.213 -21.059 3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.128 -19.923 4.245 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.204 -21.893 4.878 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.202 -21.466 3.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.466 -23.769 3.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.806 -22.873 2.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.839 -23.287 3.420 1.00 0.00 H new ATOM 888 N LYS A 55 -4.158 -16.274 1.450 1.00 0.00 N ATOM 889 CA LYS A 55 -5.299 -15.397 1.809 1.00 0.00 C ATOM 890 C LYS A 55 -5.487 -14.380 0.682 1.00 0.00 C ATOM 891 O LYS A 55 -4.549 -13.722 0.277 1.00 0.00 O ATOM 892 CB LYS A 55 -4.971 -14.665 3.112 1.00 0.00 C ATOM 893 CG LYS A 55 -4.602 -15.675 4.204 1.00 0.00 C ATOM 894 CD LYS A 55 -5.812 -16.549 4.541 1.00 0.00 C ATOM 895 CE LYS A 55 -5.558 -17.284 5.860 1.00 0.00 C ATOM 896 NZ LYS A 55 -5.291 -16.290 6.938 1.00 0.00 N ATOM 0 H LYS A 55 -3.243 -15.931 1.743 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.210 -15.981 1.944 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.144 -13.973 2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.827 -14.070 3.430 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.774 -16.300 3.868 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.263 -15.150 5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -6.708 -15.933 4.622 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.990 -17.267 3.740 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.422 -17.896 6.120 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.709 -17.960 5.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.628 -16.666 7.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.269 -16.107 6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.790 -15.403 6.724 1.00 0.00 H new ATOM 910 N ASN A 56 -6.678 -14.253 0.161 1.00 0.00 N ATOM 911 CA ASN A 56 -6.897 -13.284 -0.952 1.00 0.00 C ATOM 912 C ASN A 56 -8.166 -12.462 -0.699 1.00 0.00 C ATOM 913 O ASN A 56 -9.224 -12.995 -0.433 1.00 0.00 O ATOM 914 CB ASN A 56 -7.023 -14.054 -2.267 1.00 0.00 C ATOM 915 CG ASN A 56 -8.360 -14.796 -2.308 1.00 0.00 C ATOM 916 OD1 ASN A 56 -8.928 -15.109 -1.281 1.00 0.00 O ATOM 917 ND2 ASN A 56 -8.891 -15.093 -3.462 1.00 0.00 N ATOM 0 H ASN A 56 -7.504 -14.774 0.455 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.050 -12.600 -1.009 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -6.953 -13.366 -3.110 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.200 -14.763 -2.364 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.782 -15.588 -3.501 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.415 -14.831 -4.325 1.00 0.00 H new ATOM 924 N VAL A 57 -8.059 -11.162 -0.775 1.00 0.00 N ATOM 925 CA VAL A 57 -9.246 -10.293 -0.539 1.00 0.00 C ATOM 926 C VAL A 57 -9.256 -9.137 -1.538 1.00 0.00 C ATOM 927 O VAL A 57 -8.237 -8.538 -1.816 1.00 0.00 O ATOM 928 CB VAL A 57 -9.184 -9.733 0.881 1.00 0.00 C ATOM 929 CG1 VAL A 57 -10.396 -8.834 1.133 1.00 0.00 C ATOM 930 CG2 VAL A 57 -9.188 -10.887 1.887 1.00 0.00 C ATOM 0 H VAL A 57 -7.196 -10.664 -0.991 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.154 -10.883 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.270 -9.150 0.999 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.349 -8.436 2.147 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.393 -8.010 0.419 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.311 -9.414 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.144 -10.487 2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.100 -11.471 1.767 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -8.323 -11.526 1.711 1.00 0.00 H new ATOM 940 N LEU A 58 -10.404 -8.804 -2.068 1.00 0.00 N ATOM 941 CA LEU A 58 -10.473 -7.675 -3.035 1.00 0.00 C ATOM 942 C LEU A 58 -9.878 -6.431 -2.387 1.00 0.00 C ATOM 943 O LEU A 58 -10.028 -6.202 -1.204 1.00 0.00 O ATOM 944 CB LEU A 58 -11.927 -7.399 -3.413 1.00 0.00 C ATOM 945 CG LEU A 58 -12.000 -6.190 -4.356 1.00 0.00 C ATOM 946 CD1 LEU A 58 -11.274 -6.510 -5.664 1.00 0.00 C ATOM 947 CD2 LEU A 58 -13.465 -5.874 -4.655 1.00 0.00 C ATOM 0 H LEU A 58 -11.293 -9.265 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.914 -7.934 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.359 -8.275 -3.897 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.515 -7.208 -2.516 1.00 0.00 H new ATOM 0 HG LEU A 58 -11.525 -5.331 -3.882 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.328 -5.649 -6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.230 -6.741 -5.453 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.746 -7.369 -6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.523 -5.016 -5.325 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.934 -6.736 -5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -13.985 -5.644 -3.725 1.00 0.00 H new ATOM 959 N TRP A 59 -9.203 -5.627 -3.156 1.00 0.00 N ATOM 960 CA TRP A 59 -8.597 -4.400 -2.589 1.00 0.00 C ATOM 961 C TRP A 59 -9.460 -3.184 -2.931 1.00 0.00 C ATOM 962 O TRP A 59 -10.084 -3.121 -3.971 1.00 0.00 O ATOM 963 CB TRP A 59 -7.190 -4.226 -3.162 1.00 0.00 C ATOM 964 CG TRP A 59 -6.237 -5.063 -2.374 1.00 0.00 C ATOM 965 CD1 TRP A 59 -5.468 -6.060 -2.875 1.00 0.00 C ATOM 966 CD2 TRP A 59 -5.950 -5.001 -0.947 1.00 0.00 C ATOM 967 NE1 TRP A 59 -4.711 -6.596 -1.849 1.00 0.00 N ATOM 968 CE2 TRP A 59 -4.977 -5.980 -0.641 1.00 0.00 C ATOM 969 CE3 TRP A 59 -6.431 -4.194 0.100 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -4.498 -6.151 0.658 1.00 0.00 C ATOM 971 CZ3 TRP A 59 -5.952 -4.367 1.408 1.00 0.00 C ATOM 972 CH2 TRP A 59 -4.988 -5.344 1.685 1.00 0.00 C ATOM 0 H TRP A 59 -9.046 -5.769 -4.154 1.00 0.00 H new ATOM 0 HA TRP A 59 -8.538 -4.489 -1.504 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.172 -4.521 -4.211 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.894 -3.178 -3.121 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -5.449 -6.383 -3.905 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.039 -7.353 -1.969 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.173 -3.437 -0.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.752 -6.904 0.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -6.329 -3.743 2.205 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.624 -5.473 2.694 1.00 0.00 H new ATOM 983 N ASP A 60 -9.500 -2.222 -2.052 1.00 0.00 N ATOM 984 CA ASP A 60 -10.319 -1.005 -2.301 1.00 0.00 C ATOM 985 C ASP A 60 -9.663 0.173 -1.582 1.00 0.00 C ATOM 986 O ASP A 60 -8.854 -0.009 -0.694 1.00 0.00 O ATOM 987 CB ASP A 60 -11.733 -1.219 -1.757 1.00 0.00 C ATOM 988 CG ASP A 60 -12.655 -0.117 -2.279 1.00 0.00 C ATOM 989 OD1 ASP A 60 -12.252 0.580 -3.195 1.00 0.00 O ATOM 990 OD2 ASP A 60 -13.749 0.011 -1.754 1.00 0.00 O ATOM 0 H ASP A 60 -8.996 -2.228 -1.165 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.379 -0.804 -3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.107 -2.196 -2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -11.720 -1.210 -0.667 1.00 0.00 H new ATOM 995 N GLU A 61 -9.991 1.378 -1.951 1.00 0.00 N ATOM 996 CA GLU A 61 -9.363 2.544 -1.274 1.00 0.00 C ATOM 997 C GLU A 61 -9.623 2.455 0.230 1.00 0.00 C ATOM 998 O GLU A 61 -8.764 2.751 1.037 1.00 0.00 O ATOM 999 CB GLU A 61 -9.966 3.838 -1.821 1.00 0.00 C ATOM 1000 CG GLU A 61 -9.646 3.957 -3.312 1.00 0.00 C ATOM 1001 CD GLU A 61 -10.631 3.113 -4.125 1.00 0.00 C ATOM 1002 OE1 GLU A 61 -11.675 2.773 -3.592 1.00 0.00 O ATOM 1003 OE2 GLU A 61 -10.327 2.825 -5.271 1.00 0.00 O ATOM 0 H GLU A 61 -10.661 1.605 -2.686 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.289 2.539 -1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.045 3.842 -1.668 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.564 4.696 -1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -9.704 5.000 -3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.626 3.624 -3.502 1.00 0.00 H new ATOM 1010 N ASN A 62 -10.798 2.041 0.612 1.00 0.00 N ATOM 1011 CA ASN A 62 -11.107 1.924 2.064 1.00 0.00 C ATOM 1012 C ASN A 62 -10.425 0.679 2.640 1.00 0.00 C ATOM 1013 O ASN A 62 -9.872 0.708 3.721 1.00 0.00 O ATOM 1014 CB ASN A 62 -12.621 1.809 2.254 1.00 0.00 C ATOM 1015 CG ASN A 62 -13.295 3.102 1.790 1.00 0.00 C ATOM 1016 OD1 ASN A 62 -14.499 3.237 1.873 1.00 0.00 O ATOM 1017 ND2 ASN A 62 -12.562 4.065 1.302 1.00 0.00 N ATOM 0 H ASN A 62 -11.557 1.779 -0.017 1.00 0.00 H new ATOM 0 HA ASN A 62 -10.739 2.809 2.583 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.006 0.962 1.686 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.853 1.622 3.302 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.000 4.932 0.990 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -11.551 3.951 1.233 1.00 0.00 H new ATOM 1024 N ASN A 63 -10.468 -0.417 1.929 1.00 0.00 N ATOM 1025 CA ASN A 63 -9.830 -1.665 2.440 1.00 0.00 C ATOM 1026 C ASN A 63 -8.321 -1.466 2.581 1.00 0.00 C ATOM 1027 O ASN A 63 -7.718 -1.872 3.555 1.00 0.00 O ATOM 1028 CB ASN A 63 -10.103 -2.811 1.463 1.00 0.00 C ATOM 1029 CG ASN A 63 -9.719 -4.140 2.116 1.00 0.00 C ATOM 1030 OD1 ASN A 63 -9.271 -4.168 3.244 1.00 0.00 O ATOM 1031 ND2 ASN A 63 -9.878 -5.250 1.448 1.00 0.00 N ATOM 0 H ASN A 63 -10.917 -0.501 1.017 1.00 0.00 H new ATOM 0 HA ASN A 63 -10.249 -1.905 3.417 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -11.157 -2.822 1.184 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -9.532 -2.665 0.546 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -9.626 -6.142 1.874 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -10.254 -5.225 0.500 1.00 0.00 H new ATOM 1038 N MET A 64 -7.704 -0.848 1.614 1.00 0.00 N ATOM 1039 CA MET A 64 -6.237 -0.630 1.692 1.00 0.00 C ATOM 1040 C MET A 64 -5.901 0.243 2.900 1.00 0.00 C ATOM 1041 O MET A 64 -4.878 0.069 3.531 1.00 0.00 O ATOM 1042 CB MET A 64 -5.746 0.042 0.410 1.00 0.00 C ATOM 1043 CG MET A 64 -5.822 -0.952 -0.751 1.00 0.00 C ATOM 1044 SD MET A 64 -4.804 -0.356 -2.122 1.00 0.00 S ATOM 1045 CE MET A 64 -3.193 -0.820 -1.430 1.00 0.00 C ATOM 0 H MET A 64 -8.154 -0.485 0.774 1.00 0.00 H new ATOM 0 HA MET A 64 -5.739 -1.593 1.804 1.00 0.00 H new ATOM 0 HB2 MET A 64 -6.354 0.920 0.191 1.00 0.00 H new ATOM 0 HB3 MET A 64 -4.721 0.389 0.539 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.476 -1.933 -0.427 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.856 -1.070 -1.076 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.477 -0.962 -2.239 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.840 -0.029 -0.768 1.00 0.00 H new ATOM 0 HE3 MET A 64 -3.293 -1.748 -0.867 1.00 0.00 H new ATOM 1055 N SER A 65 -6.746 1.178 3.235 1.00 0.00 N ATOM 1056 CA SER A 65 -6.449 2.046 4.406 1.00 0.00 C ATOM 1057 C SER A 65 -6.241 1.163 5.637 1.00 0.00 C ATOM 1058 O SER A 65 -5.407 1.438 6.479 1.00 0.00 O ATOM 1059 CB SER A 65 -7.621 2.997 4.650 1.00 0.00 C ATOM 1060 OG SER A 65 -8.750 2.250 5.082 1.00 0.00 O ATOM 0 H SER A 65 -7.622 1.377 2.752 1.00 0.00 H new ATOM 0 HA SER A 65 -5.549 2.630 4.214 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.352 3.739 5.402 1.00 0.00 H new ATOM 0 HB3 SER A 65 -7.859 3.541 3.736 1.00 0.00 H new ATOM 0 HG SER A 65 -8.911 1.510 4.459 1.00 0.00 H new ATOM 1066 N GLU A 66 -6.980 0.092 5.741 1.00 0.00 N ATOM 1067 CA GLU A 66 -6.809 -0.811 6.909 1.00 0.00 C ATOM 1068 C GLU A 66 -5.422 -1.451 6.838 1.00 0.00 C ATOM 1069 O GLU A 66 -4.750 -1.615 7.837 1.00 0.00 O ATOM 1070 CB GLU A 66 -7.879 -1.904 6.874 1.00 0.00 C ATOM 1071 CG GLU A 66 -9.262 -1.271 7.043 1.00 0.00 C ATOM 1072 CD GLU A 66 -10.326 -2.369 7.073 1.00 0.00 C ATOM 1073 OE1 GLU A 66 -9.982 -3.507 6.801 1.00 0.00 O ATOM 1074 OE2 GLU A 66 -11.466 -2.054 7.369 1.00 0.00 O ATOM 0 H GLU A 66 -7.692 -0.194 5.069 1.00 0.00 H new ATOM 0 HA GLU A 66 -6.909 -0.243 7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.829 -2.447 5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.700 -2.629 7.668 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.298 -0.690 7.965 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -9.460 -0.580 6.223 1.00 0.00 H new ATOM 1081 N TYR A 67 -4.985 -1.809 5.659 1.00 0.00 N ATOM 1082 CA TYR A 67 -3.639 -2.431 5.522 1.00 0.00 C ATOM 1083 C TYR A 67 -2.563 -1.422 5.920 1.00 0.00 C ATOM 1084 O TYR A 67 -1.615 -1.748 6.602 1.00 0.00 O ATOM 1085 CB TYR A 67 -3.408 -2.858 4.075 1.00 0.00 C ATOM 1086 CG TYR A 67 -2.063 -3.536 3.970 1.00 0.00 C ATOM 1087 CD1 TYR A 67 -0.913 -2.771 3.744 1.00 0.00 C ATOM 1088 CD2 TYR A 67 -1.962 -4.927 4.102 1.00 0.00 C ATOM 1089 CE1 TYR A 67 0.337 -3.393 3.651 1.00 0.00 C ATOM 1090 CE2 TYR A 67 -0.712 -5.550 4.007 1.00 0.00 C ATOM 1091 CZ TYR A 67 0.439 -4.782 3.781 1.00 0.00 C ATOM 1092 OH TYR A 67 1.671 -5.396 3.686 1.00 0.00 O ATOM 0 H TYR A 67 -5.503 -1.697 4.787 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.586 -3.304 6.173 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.198 -3.537 3.752 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.444 -1.990 3.416 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.990 -1.699 3.641 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.848 -5.519 4.277 1.00 0.00 H new ATOM 0 HE1 TYR A 67 1.223 -2.800 3.479 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.634 -6.622 4.108 1.00 0.00 H new ATOM 0 HH TYR A 67 1.793 -6.004 4.445 1.00 0.00 H new ATOM 1102 N LEU A 68 -2.692 -0.197 5.491 1.00 0.00 N ATOM 1103 CA LEU A 68 -1.667 0.817 5.843 1.00 0.00 C ATOM 1104 C LEU A 68 -1.466 0.838 7.359 1.00 0.00 C ATOM 1105 O LEU A 68 -0.371 1.046 7.843 1.00 0.00 O ATOM 1106 CB LEU A 68 -2.128 2.191 5.358 1.00 0.00 C ATOM 1107 CG LEU A 68 -2.305 2.166 3.839 1.00 0.00 C ATOM 1108 CD1 LEU A 68 -2.754 3.544 3.357 1.00 0.00 C ATOM 1109 CD2 LEU A 68 -0.973 1.809 3.174 1.00 0.00 C ATOM 0 H LEU A 68 -3.462 0.142 4.914 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.721 0.565 5.363 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -3.068 2.461 5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.397 2.950 5.637 1.00 0.00 H new ATOM 0 HG LEU A 68 -3.056 1.422 3.575 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.880 3.527 2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.702 3.804 3.829 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.001 4.286 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.100 1.791 2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.223 2.554 3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.647 0.827 3.517 1.00 0.00 H new ATOM 1121 N THR A 69 -2.505 0.617 8.116 1.00 0.00 N ATOM 1122 CA THR A 69 -2.351 0.617 9.593 1.00 0.00 C ATOM 1123 C THR A 69 -1.242 -0.365 9.976 1.00 0.00 C ATOM 1124 O THR A 69 -0.397 -0.074 10.798 1.00 0.00 O ATOM 1125 CB THR A 69 -3.669 0.184 10.232 1.00 0.00 C ATOM 1126 OG1 THR A 69 -4.730 0.970 9.707 1.00 0.00 O ATOM 1127 CG2 THR A 69 -3.587 0.382 11.740 1.00 0.00 C ATOM 0 H THR A 69 -3.449 0.437 7.775 1.00 0.00 H new ATOM 0 HA THR A 69 -2.090 1.615 9.945 1.00 0.00 H new ATOM 0 HB THR A 69 -3.854 -0.867 10.012 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.576 0.692 10.115 1.00 0.00 H new ATOM 0 HG21 THR A 69 -4.526 0.074 12.199 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.772 -0.220 12.142 1.00 0.00 H new ATOM 0 HG23 THR A 69 -3.404 1.434 11.959 1.00 0.00 H new ATOM 1135 N ASN A 70 -1.230 -1.517 9.367 1.00 0.00 N ATOM 1136 CA ASN A 70 -0.165 -2.513 9.673 1.00 0.00 C ATOM 1137 C ASN A 70 0.201 -3.253 8.389 1.00 0.00 C ATOM 1138 O ASN A 70 -0.645 -3.557 7.573 1.00 0.00 O ATOM 1139 CB ASN A 70 -0.656 -3.513 10.714 1.00 0.00 C ATOM 1140 CG ASN A 70 0.554 -4.160 11.393 1.00 0.00 C ATOM 1141 OD1 ASN A 70 1.280 -3.509 12.118 1.00 0.00 O ATOM 1142 ND2 ASN A 70 0.806 -5.423 11.185 1.00 0.00 N ATOM 0 H ASN A 70 -1.913 -1.813 8.669 1.00 0.00 H new ATOM 0 HA ASN A 70 0.708 -1.996 10.071 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -1.279 -3.011 11.454 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -1.275 -4.276 10.241 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.611 -5.862 11.631 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.198 -5.971 10.577 1.00 0.00 H new ATOM 1149 N HIS A 71 1.453 -3.529 8.193 1.00 0.00 N ATOM 1150 CA HIS A 71 1.874 -4.223 6.948 1.00 0.00 C ATOM 1151 C HIS A 71 1.283 -5.634 6.861 1.00 0.00 C ATOM 1152 O HIS A 71 1.169 -6.187 5.785 1.00 0.00 O ATOM 1153 CB HIS A 71 3.397 -4.311 6.901 1.00 0.00 C ATOM 1154 CG HIS A 71 3.907 -3.445 5.785 1.00 0.00 C ATOM 1155 ND1 HIS A 71 4.235 -2.109 5.974 1.00 0.00 N ATOM 1156 CD2 HIS A 71 4.141 -3.706 4.456 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.643 -1.619 4.789 1.00 0.00 C ATOM 1158 NE2 HIS A 71 4.603 -2.551 3.840 1.00 0.00 N ATOM 0 H HIS A 71 2.207 -3.304 8.842 1.00 0.00 H new ATOM 0 HA HIS A 71 1.503 -3.646 6.101 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.821 -3.988 7.851 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.709 -5.344 6.748 1.00 0.00 H new ATOM 0 HD2 HIS A 71 3.990 -4.658 3.969 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.962 -0.600 4.629 1.00 0.00 H new ATOM 0 HE2 HIS A 71 4.860 -2.439 2.859 1.00 0.00 H new ATOM 1166 N ALA A 72 0.927 -6.251 7.955 1.00 0.00 N ATOM 1167 CA ALA A 72 0.383 -7.635 7.838 1.00 0.00 C ATOM 1168 C ALA A 72 -0.449 -8.033 9.063 1.00 0.00 C ATOM 1169 O ALA A 72 -0.643 -9.202 9.326 1.00 0.00 O ATOM 1170 CB ALA A 72 1.555 -8.601 7.688 1.00 0.00 C ATOM 0 H ALA A 72 0.986 -5.871 8.900 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.275 -7.674 6.970 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.178 -9.620 7.601 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.124 -8.347 6.794 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.202 -8.527 8.562 1.00 0.00 H new ATOM 1176 N LYS A 73 -0.956 -7.092 9.809 1.00 0.00 N ATOM 1177 CA LYS A 73 -1.781 -7.473 10.995 1.00 0.00 C ATOM 1178 C LYS A 73 -3.012 -8.246 10.523 1.00 0.00 C ATOM 1179 O LYS A 73 -3.403 -9.235 11.111 1.00 0.00 O ATOM 1180 CB LYS A 73 -2.233 -6.220 11.747 1.00 0.00 C ATOM 1181 CG LYS A 73 -3.020 -6.632 12.995 1.00 0.00 C ATOM 1182 CD LYS A 73 -3.401 -5.384 13.794 1.00 0.00 C ATOM 1183 CE LYS A 73 -4.382 -4.533 12.985 1.00 0.00 C ATOM 1184 NZ LYS A 73 -5.448 -4.012 13.887 1.00 0.00 N ATOM 0 H LYS A 73 -0.839 -6.090 9.655 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.182 -8.093 11.662 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -1.368 -5.621 12.031 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -2.853 -5.599 11.101 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -3.917 -7.180 12.707 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -2.420 -7.302 13.611 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.852 -5.672 14.744 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.508 -4.804 14.028 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.856 -3.705 12.510 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.825 -5.129 12.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.115 -3.433 13.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.956 -4.809 14.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.017 -3.429 14.633 1.00 0.00 H new ATOM 1198 N TYR A 74 -3.626 -7.799 9.462 1.00 0.00 N ATOM 1199 CA TYR A 74 -4.834 -8.498 8.942 1.00 0.00 C ATOM 1200 C TYR A 74 -4.406 -9.688 8.082 1.00 0.00 C ATOM 1201 O TYR A 74 -5.154 -10.625 7.886 1.00 0.00 O ATOM 1202 CB TYR A 74 -5.651 -7.525 8.089 1.00 0.00 C ATOM 1203 CG TYR A 74 -7.107 -7.605 8.479 1.00 0.00 C ATOM 1204 CD1 TYR A 74 -7.779 -8.833 8.431 1.00 0.00 C ATOM 1205 CD2 TYR A 74 -7.784 -6.451 8.890 1.00 0.00 C ATOM 1206 CE1 TYR A 74 -9.129 -8.905 8.794 1.00 0.00 C ATOM 1207 CE2 TYR A 74 -9.134 -6.524 9.252 1.00 0.00 C ATOM 1208 CZ TYR A 74 -9.807 -7.751 9.205 1.00 0.00 C ATOM 1209 OH TYR A 74 -11.137 -7.823 9.563 1.00 0.00 O ATOM 0 H TYR A 74 -3.341 -6.976 8.931 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.438 -8.853 9.777 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.283 -6.508 8.227 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.534 -7.766 7.032 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.256 -9.723 8.114 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.265 -5.505 8.928 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.648 -9.851 8.757 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.657 -5.633 9.568 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.454 -6.933 9.824 1.00 0.00 H new ATOM 1219 N ILE A 75 -3.209 -9.649 7.560 1.00 0.00 N ATOM 1220 CA ILE A 75 -2.724 -10.766 6.698 1.00 0.00 C ATOM 1221 C ILE A 75 -1.429 -11.335 7.281 1.00 0.00 C ATOM 1222 O ILE A 75 -0.351 -11.052 6.805 1.00 0.00 O ATOM 1223 CB ILE A 75 -2.444 -10.239 5.281 1.00 0.00 C ATOM 1224 CG1 ILE A 75 -3.467 -9.160 4.895 1.00 0.00 C ATOM 1225 CG2 ILE A 75 -2.524 -11.392 4.281 1.00 0.00 C ATOM 1226 CD1 ILE A 75 -4.851 -9.792 4.729 1.00 0.00 C ATOM 0 H ILE A 75 -2.543 -8.888 7.694 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.485 -11.545 6.658 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.446 -9.801 5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.500 -8.387 5.662 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.165 -8.675 3.967 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.325 -11.017 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.784 -12.149 4.539 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.520 -11.833 4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.572 -9.022 4.455 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -4.814 -10.549 3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.154 -10.256 5.668 1.00 0.00 H new ATOM 1238 N PRO A 76 -1.530 -12.140 8.302 1.00 0.00 N ATOM 1239 CA PRO A 76 -0.336 -12.751 8.948 1.00 0.00 C ATOM 1240 C PRO A 76 0.583 -13.414 7.924 1.00 0.00 C ATOM 1241 O PRO A 76 1.792 -13.371 8.042 1.00 0.00 O ATOM 1242 CB PRO A 76 -0.921 -13.790 9.906 1.00 0.00 C ATOM 1243 CG PRO A 76 -2.323 -13.345 10.175 1.00 0.00 C ATOM 1244 CD PRO A 76 -2.783 -12.552 8.950 1.00 0.00 C ATOM 0 HA PRO A 76 0.280 -12.008 9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.904 -14.785 9.462 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.343 -13.842 10.828 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.974 -14.203 10.346 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -2.366 -12.728 11.072 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.394 -13.163 8.285 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.387 -11.691 9.236 1.00 0.00 H new ATOM 1252 N GLY A 77 0.025 -14.004 6.906 1.00 0.00 N ATOM 1253 CA GLY A 77 0.880 -14.639 5.869 1.00 0.00 C ATOM 1254 C GLY A 77 1.796 -13.566 5.288 1.00 0.00 C ATOM 1255 O GLY A 77 2.888 -13.839 4.830 1.00 0.00 O ATOM 0 H GLY A 77 -0.980 -14.074 6.748 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.468 -15.447 6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.264 -15.079 5.085 1.00 0.00 H new ATOM 1259 N THR A 78 1.349 -12.339 5.306 1.00 0.00 N ATOM 1260 CA THR A 78 2.174 -11.227 4.761 1.00 0.00 C ATOM 1261 C THR A 78 3.273 -10.855 5.762 1.00 0.00 C ATOM 1262 O THR A 78 3.075 -10.876 6.961 1.00 0.00 O ATOM 1263 CB THR A 78 1.266 -10.023 4.482 1.00 0.00 C ATOM 1264 OG1 THR A 78 0.237 -10.415 3.584 1.00 0.00 O ATOM 1265 CG2 THR A 78 2.073 -8.879 3.861 1.00 0.00 C ATOM 0 H THR A 78 0.441 -12.059 5.678 1.00 0.00 H new ATOM 0 HA THR A 78 2.650 -11.538 3.831 1.00 0.00 H new ATOM 0 HB THR A 78 0.833 -9.678 5.421 1.00 0.00 H new ATOM 0 HG1 THR A 78 -0.250 -9.622 3.278 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.415 -8.032 3.669 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.863 -8.576 4.548 1.00 0.00 H new ATOM 0 HG23 THR A 78 2.517 -9.214 2.923 1.00 0.00 H new ATOM 1273 N LYS A 79 4.437 -10.536 5.265 1.00 0.00 N ATOM 1274 CA LYS A 79 5.578 -10.182 6.157 1.00 0.00 C ATOM 1275 C LYS A 79 5.415 -8.753 6.686 1.00 0.00 C ATOM 1276 O LYS A 79 4.513 -8.033 6.306 1.00 0.00 O ATOM 1277 CB LYS A 79 6.876 -10.266 5.357 1.00 0.00 C ATOM 1278 CG LYS A 79 6.979 -11.641 4.696 1.00 0.00 C ATOM 1279 CD LYS A 79 8.301 -11.743 3.936 1.00 0.00 C ATOM 1280 CE LYS A 79 8.271 -12.975 3.032 1.00 0.00 C ATOM 1281 NZ LYS A 79 9.664 -13.442 2.778 1.00 0.00 N ATOM 0 H LYS A 79 4.648 -10.505 4.268 1.00 0.00 H new ATOM 0 HA LYS A 79 5.601 -10.875 6.998 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.900 -9.483 4.599 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.731 -10.101 6.012 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.920 -12.425 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.142 -11.792 4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.461 -10.844 3.340 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.132 -11.813 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.690 -13.769 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.779 -12.735 2.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.642 -14.280 2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.205 -12.685 2.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.118 -13.687 3.681 1.00 0.00 H new ATOM 1295 N MET A 80 6.294 -8.344 7.561 1.00 0.00 N ATOM 1296 CA MET A 80 6.219 -6.965 8.128 1.00 0.00 C ATOM 1297 C MET A 80 7.614 -6.333 8.106 1.00 0.00 C ATOM 1298 O MET A 80 8.612 -7.019 8.208 1.00 0.00 O ATOM 1299 CB MET A 80 5.715 -7.035 9.571 1.00 0.00 C ATOM 1300 CG MET A 80 5.520 -5.620 10.115 1.00 0.00 C ATOM 1301 SD MET A 80 5.089 -5.701 11.873 1.00 0.00 S ATOM 1302 CE MET A 80 6.720 -6.187 12.492 1.00 0.00 C ATOM 0 H MET A 80 7.067 -8.910 7.910 1.00 0.00 H new ATOM 0 HA MET A 80 5.534 -6.361 7.533 1.00 0.00 H new ATOM 0 HB2 MET A 80 4.774 -7.584 9.612 1.00 0.00 H new ATOM 0 HB3 MET A 80 6.429 -7.578 10.190 1.00 0.00 H new ATOM 0 HG2 MET A 80 6.432 -5.038 9.980 1.00 0.00 H new ATOM 0 HG3 MET A 80 4.732 -5.111 9.560 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.850 -5.814 13.508 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.800 -7.274 12.492 1.00 0.00 H new ATOM 0 HE3 MET A 80 7.493 -5.766 11.849 1.00 0.00 H new ATOM 1312 N ALA A 81 7.700 -5.034 7.974 1.00 0.00 N ATOM 1313 CA ALA A 81 9.045 -4.387 7.950 1.00 0.00 C ATOM 1314 C ALA A 81 8.907 -2.861 7.860 1.00 0.00 C ATOM 1315 O ALA A 81 9.797 -2.185 7.383 1.00 0.00 O ATOM 1316 CB ALA A 81 9.829 -4.895 6.739 1.00 0.00 C ATOM 0 H ALA A 81 6.906 -4.400 7.883 1.00 0.00 H new ATOM 0 HA ALA A 81 9.572 -4.639 8.870 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.812 -4.424 6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 81 9.946 -5.976 6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.289 -4.647 5.826 1.00 0.00 H new ATOM 1322 N PHE A 82 7.810 -2.313 8.316 1.00 0.00 N ATOM 1323 CA PHE A 82 7.637 -0.828 8.255 1.00 0.00 C ATOM 1324 C PHE A 82 7.708 -0.244 9.673 1.00 0.00 C ATOM 1325 O PHE A 82 7.327 -0.879 10.635 1.00 0.00 O ATOM 1326 CB PHE A 82 6.285 -0.484 7.631 1.00 0.00 C ATOM 1327 CG PHE A 82 6.201 1.009 7.454 1.00 0.00 C ATOM 1328 CD1 PHE A 82 6.838 1.623 6.369 1.00 0.00 C ATOM 1329 CD2 PHE A 82 5.497 1.782 8.381 1.00 0.00 C ATOM 1330 CE1 PHE A 82 6.769 3.013 6.212 1.00 0.00 C ATOM 1331 CE2 PHE A 82 5.427 3.169 8.225 1.00 0.00 C ATOM 1332 CZ PHE A 82 6.064 3.786 7.141 1.00 0.00 C ATOM 0 H PHE A 82 7.029 -2.825 8.726 1.00 0.00 H new ATOM 0 HA PHE A 82 8.432 -0.402 7.643 1.00 0.00 H new ATOM 0 HB2 PHE A 82 6.174 -0.985 6.670 1.00 0.00 H new ATOM 0 HB3 PHE A 82 5.474 -0.835 8.269 1.00 0.00 H new ATOM 0 HD1 PHE A 82 7.382 1.025 5.653 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.007 1.307 9.218 1.00 0.00 H new ATOM 0 HE1 PHE A 82 7.259 3.488 5.375 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.881 3.766 8.941 1.00 0.00 H new ATOM 0 HZ PHE A 82 6.011 4.858 7.022 1.00 0.00 H new ATOM 1342 N GLY A 83 8.206 0.958 9.807 1.00 0.00 N ATOM 1343 CA GLY A 83 8.317 1.581 11.160 1.00 0.00 C ATOM 1344 C GLY A 83 6.944 1.642 11.841 1.00 0.00 C ATOM 1345 O GLY A 83 6.791 1.237 12.976 1.00 0.00 O ATOM 0 H GLY A 83 8.541 1.536 9.036 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.009 1.006 11.775 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.730 2.586 11.071 1.00 0.00 H new ATOM 1349 N GLY A 84 5.943 2.141 11.165 1.00 0.00 N ATOM 1350 CA GLY A 84 4.590 2.216 11.795 1.00 0.00 C ATOM 1351 C GLY A 84 3.781 3.366 11.183 1.00 0.00 C ATOM 1352 O GLY A 84 3.863 4.497 11.619 1.00 0.00 O ATOM 0 H GLY A 84 6.001 2.498 10.211 1.00 0.00 H new ATOM 0 HA2 GLY A 84 4.062 1.274 11.651 1.00 0.00 H new ATOM 0 HA3 GLY A 84 4.690 2.364 12.870 1.00 0.00 H new ATOM 1356 N LEU A 85 2.993 3.080 10.180 1.00 0.00 N ATOM 1357 CA LEU A 85 2.166 4.142 9.537 1.00 0.00 C ATOM 1358 C LEU A 85 0.912 4.374 10.381 1.00 0.00 C ATOM 1359 O LEU A 85 -0.115 4.795 9.887 1.00 0.00 O ATOM 1360 CB LEU A 85 1.770 3.677 8.132 1.00 0.00 C ATOM 1361 CG LEU A 85 1.644 4.882 7.196 1.00 0.00 C ATOM 1362 CD1 LEU A 85 3.004 5.553 7.030 1.00 0.00 C ATOM 1363 CD2 LEU A 85 1.155 4.406 5.830 1.00 0.00 C ATOM 0 H LEU A 85 2.887 2.149 9.776 1.00 0.00 H new ATOM 0 HA LEU A 85 2.730 5.072 9.466 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.517 2.983 7.746 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.824 3.137 8.172 1.00 0.00 H new ATOM 0 HG LEU A 85 0.937 5.595 7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.908 6.410 6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.365 5.889 8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.712 4.841 6.606 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.063 5.260 5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.869 3.694 5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.183 3.924 5.939 1.00 0.00 H new ATOM 1375 N LYS A 86 0.991 4.096 11.653 1.00 0.00 N ATOM 1376 CA LYS A 86 -0.186 4.288 12.541 1.00 0.00 C ATOM 1377 C LYS A 86 -0.700 5.724 12.418 1.00 0.00 C ATOM 1378 O LYS A 86 -1.876 5.985 12.576 1.00 0.00 O ATOM 1379 CB LYS A 86 0.229 4.019 13.987 1.00 0.00 C ATOM 1380 CG LYS A 86 0.643 2.554 14.137 1.00 0.00 C ATOM 1381 CD LYS A 86 0.952 2.259 15.606 1.00 0.00 C ATOM 1382 CE LYS A 86 1.494 0.834 15.738 1.00 0.00 C ATOM 1383 NZ LYS A 86 2.931 0.884 16.130 1.00 0.00 N ATOM 0 H LYS A 86 1.827 3.742 12.117 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.978 3.598 12.249 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.056 4.672 14.266 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.597 4.245 14.661 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.156 1.901 13.784 1.00 0.00 H new ATOM 0 HG3 LYS A 86 1.519 2.348 13.522 1.00 0.00 H new ATOM 0 HD2 LYS A 86 1.682 2.974 15.986 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.051 2.374 16.208 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.921 0.283 16.484 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.382 0.302 14.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.300 -0.084 16.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.472 1.395 15.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 3.025 1.376 17.041 1.00 0.00 H new ATOM 1397 N LYS A 87 0.166 6.658 12.140 1.00 0.00 N ATOM 1398 CA LYS A 87 -0.289 8.071 12.013 1.00 0.00 C ATOM 1399 C LYS A 87 -1.369 8.158 10.933 1.00 0.00 C ATOM 1400 O LYS A 87 -1.166 7.760 9.803 1.00 0.00 O ATOM 1401 CB LYS A 87 0.894 8.960 11.627 1.00 0.00 C ATOM 1402 CG LYS A 87 1.919 8.968 12.764 1.00 0.00 C ATOM 1403 CD LYS A 87 3.040 9.955 12.433 1.00 0.00 C ATOM 1404 CE LYS A 87 4.117 9.885 13.517 1.00 0.00 C ATOM 1405 NZ LYS A 87 4.690 8.510 13.562 1.00 0.00 N ATOM 0 H LYS A 87 1.164 6.506 11.996 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.696 8.410 12.966 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.355 8.592 10.710 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.550 9.975 11.426 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.437 9.249 13.700 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.330 7.968 12.905 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.472 9.719 11.460 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.640 10.967 12.367 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.903 10.611 13.311 1.00 0.00 H new ATOM 0 HE3 LYS A 87 3.690 10.144 14.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 5.646 8.546 13.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.086 7.901 14.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.738 8.122 12.598 1.00 0.00 H new ATOM 1419 N GLU A 88 -2.518 8.670 11.277 1.00 0.00 N ATOM 1420 CA GLU A 88 -3.619 8.779 10.280 1.00 0.00 C ATOM 1421 C GLU A 88 -3.217 9.740 9.160 1.00 0.00 C ATOM 1422 O GLU A 88 -3.606 9.577 8.020 1.00 0.00 O ATOM 1423 CB GLU A 88 -4.875 9.307 10.971 1.00 0.00 C ATOM 1424 CG GLU A 88 -5.337 8.306 12.031 1.00 0.00 C ATOM 1425 CD GLU A 88 -6.633 8.803 12.673 1.00 0.00 C ATOM 1426 OE1 GLU A 88 -7.007 9.934 12.408 1.00 0.00 O ATOM 1427 OE2 GLU A 88 -7.230 8.045 13.420 1.00 0.00 O ATOM 0 H GLU A 88 -2.742 9.019 12.209 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.816 7.795 9.854 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -4.669 10.272 11.433 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -5.666 9.467 10.238 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -5.495 7.328 11.578 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -4.566 8.184 12.791 1.00 0.00 H new ATOM 1434 N LYS A 89 -2.455 10.749 9.475 1.00 0.00 N ATOM 1435 CA LYS A 89 -2.045 11.727 8.432 1.00 0.00 C ATOM 1436 C LYS A 89 -1.281 11.022 7.310 1.00 0.00 C ATOM 1437 O LYS A 89 -1.519 11.261 6.143 1.00 0.00 O ATOM 1438 CB LYS A 89 -1.148 12.789 9.068 1.00 0.00 C ATOM 1439 CG LYS A 89 -1.956 13.598 10.086 1.00 0.00 C ATOM 1440 CD LYS A 89 -1.091 14.734 10.636 1.00 0.00 C ATOM 1441 CE LYS A 89 -1.857 15.474 11.733 1.00 0.00 C ATOM 1442 NZ LYS A 89 -2.918 16.320 11.116 1.00 0.00 N ATOM 0 H LYS A 89 -2.098 10.938 10.412 1.00 0.00 H new ATOM 0 HA LYS A 89 -2.936 12.193 8.010 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -0.297 12.316 9.557 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.747 13.449 8.299 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -2.852 14.004 9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -2.287 12.952 10.899 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.159 14.335 11.035 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -0.825 15.424 9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -2.303 14.759 12.425 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -1.174 16.095 12.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -3.348 16.924 11.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -2.499 16.917 10.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -3.649 15.710 10.697 1.00 0.00 H new ATOM 1456 N ASP A 90 -0.361 10.162 7.647 1.00 0.00 N ATOM 1457 CA ASP A 90 0.412 9.458 6.588 1.00 0.00 C ATOM 1458 C ASP A 90 -0.515 8.528 5.806 1.00 0.00 C ATOM 1459 O ASP A 90 -0.529 8.526 4.592 1.00 0.00 O ATOM 1460 CB ASP A 90 1.522 8.632 7.236 1.00 0.00 C ATOM 1461 CG ASP A 90 2.505 9.563 7.948 1.00 0.00 C ATOM 1462 OD1 ASP A 90 2.466 10.752 7.678 1.00 0.00 O ATOM 1463 OD2 ASP A 90 3.281 9.071 8.752 1.00 0.00 O ATOM 0 H ASP A 90 -0.112 9.917 8.605 1.00 0.00 H new ATOM 0 HA ASP A 90 0.846 10.193 5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.095 7.925 7.947 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.043 8.047 6.478 1.00 0.00 H new ATOM 1468 N ARG A 91 -1.280 7.727 6.495 1.00 0.00 N ATOM 1469 CA ARG A 91 -2.196 6.785 5.790 1.00 0.00 C ATOM 1470 C ARG A 91 -3.184 7.562 4.917 1.00 0.00 C ATOM 1471 O ARG A 91 -3.453 7.190 3.792 1.00 0.00 O ATOM 1472 CB ARG A 91 -2.977 5.971 6.823 1.00 0.00 C ATOM 1473 CG ARG A 91 -2.000 5.203 7.714 1.00 0.00 C ATOM 1474 CD ARG A 91 -2.778 4.230 8.601 1.00 0.00 C ATOM 1475 NE ARG A 91 -3.876 4.957 9.297 1.00 0.00 N ATOM 1476 CZ ARG A 91 -4.569 4.357 10.226 1.00 0.00 C ATOM 1477 NH1 ARG A 91 -4.286 3.128 10.559 1.00 0.00 N ATOM 1478 NH2 ARG A 91 -5.543 4.987 10.822 1.00 0.00 N ATOM 0 H ARG A 91 -1.311 7.683 7.514 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.604 6.122 5.159 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.596 6.632 7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.650 5.276 6.320 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -1.282 4.658 7.100 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.430 5.898 8.331 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.189 3.421 7.997 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -2.110 3.774 9.332 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.086 5.923 9.048 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.523 2.636 10.093 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -4.827 2.659 11.285 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.763 5.948 10.562 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -6.085 4.518 11.548 1.00 0.00 H new ATOM 1492 N ASN A 92 -3.734 8.629 5.423 1.00 0.00 N ATOM 1493 CA ASN A 92 -4.711 9.412 4.618 1.00 0.00 C ATOM 1494 C ASN A 92 -4.014 10.059 3.420 1.00 0.00 C ATOM 1495 O ASN A 92 -4.515 10.041 2.313 1.00 0.00 O ATOM 1496 CB ASN A 92 -5.326 10.504 5.492 1.00 0.00 C ATOM 1497 CG ASN A 92 -6.173 9.866 6.593 1.00 0.00 C ATOM 1498 OD1 ASN A 92 -6.407 8.674 6.583 1.00 0.00 O ATOM 1499 ND2 ASN A 92 -6.655 10.618 7.543 1.00 0.00 N ATOM 0 H ASN A 92 -3.550 8.993 6.358 1.00 0.00 H new ATOM 0 HA ASN A 92 -5.490 8.741 4.256 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.539 11.116 5.933 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -5.942 11.166 4.884 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.229 10.205 8.278 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.458 11.619 7.551 1.00 0.00 H new ATOM 1506 N ASP A 93 -2.869 10.640 3.634 1.00 0.00 N ATOM 1507 CA ASP A 93 -2.146 11.300 2.511 1.00 0.00 C ATOM 1508 C ASP A 93 -1.725 10.256 1.475 1.00 0.00 C ATOM 1509 O ASP A 93 -1.814 10.476 0.283 1.00 0.00 O ATOM 1510 CB ASP A 93 -0.906 12.011 3.058 1.00 0.00 C ATOM 1511 CG ASP A 93 -1.338 13.149 3.984 1.00 0.00 C ATOM 1512 OD1 ASP A 93 -2.507 13.497 3.956 1.00 0.00 O ATOM 1513 OD2 ASP A 93 -0.493 13.652 4.706 1.00 0.00 O ATOM 0 H ASP A 93 -2.401 10.687 4.539 1.00 0.00 H new ATOM 0 HA ASP A 93 -2.805 12.026 2.034 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.278 11.304 3.601 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.307 12.404 2.237 1.00 0.00 H new ATOM 1518 N LEU A 94 -1.264 9.122 1.920 1.00 0.00 N ATOM 1519 CA LEU A 94 -0.829 8.062 0.966 1.00 0.00 C ATOM 1520 C LEU A 94 -1.960 7.714 0.010 1.00 0.00 C ATOM 1521 O LEU A 94 -1.863 7.896 -1.186 1.00 0.00 O ATOM 1522 CB LEU A 94 -0.456 6.802 1.744 1.00 0.00 C ATOM 1523 CG LEU A 94 1.061 6.667 1.813 1.00 0.00 C ATOM 1524 CD1 LEU A 94 1.425 5.761 2.987 1.00 0.00 C ATOM 1525 CD2 LEU A 94 1.573 6.049 0.511 1.00 0.00 C ATOM 0 H LEU A 94 -1.169 8.881 2.907 1.00 0.00 H new ATOM 0 HA LEU A 94 0.027 8.433 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.872 6.849 2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.887 5.925 1.261 1.00 0.00 H new ATOM 0 HG LEU A 94 1.516 7.648 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 94 2.509 5.658 3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.052 6.198 3.913 1.00 0.00 H new ATOM 0 HD13 LEU A 94 0.975 4.779 2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.658 5.951 0.557 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.125 5.065 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.302 6.690 -0.328 1.00 0.00 H new ATOM 1537 N ILE A 95 -3.026 7.193 0.534 1.00 0.00 N ATOM 1538 CA ILE A 95 -4.163 6.796 -0.320 1.00 0.00 C ATOM 1539 C ILE A 95 -4.594 7.972 -1.188 1.00 0.00 C ATOM 1540 O ILE A 95 -4.970 7.805 -2.332 1.00 0.00 O ATOM 1541 CB ILE A 95 -5.302 6.346 0.578 1.00 0.00 C ATOM 1542 CG1 ILE A 95 -4.775 5.253 1.510 1.00 0.00 C ATOM 1543 CG2 ILE A 95 -6.431 5.792 -0.281 1.00 0.00 C ATOM 1544 CD1 ILE A 95 -5.926 4.687 2.348 1.00 0.00 C ATOM 0 H ILE A 95 -3.157 7.024 1.531 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.874 5.978 -0.980 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.680 7.184 1.163 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.312 4.457 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.003 5.660 2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -7.251 5.468 0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.786 6.568 -0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.065 4.943 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.546 3.909 3.010 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.369 5.485 2.943 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.683 4.263 1.688 1.00 0.00 H new ATOM 1556 N THR A 96 -4.532 9.161 -0.667 1.00 0.00 N ATOM 1557 CA THR A 96 -4.923 10.333 -1.478 1.00 0.00 C ATOM 1558 C THR A 96 -4.085 10.340 -2.758 1.00 0.00 C ATOM 1559 O THR A 96 -4.566 10.654 -3.828 1.00 0.00 O ATOM 1560 CB THR A 96 -4.658 11.606 -0.675 1.00 0.00 C ATOM 1561 OG1 THR A 96 -5.210 11.463 0.627 1.00 0.00 O ATOM 1562 CG2 THR A 96 -5.314 12.791 -1.373 1.00 0.00 C ATOM 0 H THR A 96 -4.228 9.369 0.284 1.00 0.00 H new ATOM 0 HA THR A 96 -5.982 10.285 -1.733 1.00 0.00 H new ATOM 0 HB THR A 96 -3.584 11.775 -0.602 1.00 0.00 H new ATOM 0 HG1 THR A 96 -4.550 11.044 1.218 1.00 0.00 H new ATOM 0 HG21 THR A 96 -5.126 13.700 -0.801 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.898 12.900 -2.374 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.389 12.623 -1.443 1.00 0.00 H new ATOM 1570 N TYR A 97 -2.832 9.983 -2.652 1.00 0.00 N ATOM 1571 CA TYR A 97 -1.955 9.955 -3.854 1.00 0.00 C ATOM 1572 C TYR A 97 -2.134 8.632 -4.603 1.00 0.00 C ATOM 1573 O TYR A 97 -2.319 8.609 -5.803 1.00 0.00 O ATOM 1574 CB TYR A 97 -0.497 10.100 -3.421 1.00 0.00 C ATOM 1575 CG TYR A 97 0.400 9.904 -4.616 1.00 0.00 C ATOM 1576 CD1 TYR A 97 0.671 10.973 -5.479 1.00 0.00 C ATOM 1577 CD2 TYR A 97 0.962 8.646 -4.863 1.00 0.00 C ATOM 1578 CE1 TYR A 97 1.505 10.782 -6.587 1.00 0.00 C ATOM 1579 CE2 TYR A 97 1.793 8.455 -5.970 1.00 0.00 C ATOM 1580 CZ TYR A 97 2.066 9.523 -6.833 1.00 0.00 C ATOM 1581 OH TYR A 97 2.886 9.335 -7.926 1.00 0.00 O ATOM 0 H TYR A 97 -2.379 9.709 -1.780 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.227 10.778 -4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.331 11.085 -2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.260 9.367 -2.650 1.00 0.00 H new ATOM 0 HD1 TYR A 97 0.237 11.944 -5.290 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.753 7.822 -4.197 1.00 0.00 H new ATOM 0 HE1 TYR A 97 1.716 11.606 -7.252 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.225 7.483 -6.160 1.00 0.00 H new ATOM 0 HH TYR A 97 3.192 8.404 -7.949 1.00 0.00 H new ATOM 1591 N LEU A 98 -2.069 7.531 -3.907 1.00 0.00 N ATOM 1592 CA LEU A 98 -2.226 6.212 -4.587 1.00 0.00 C ATOM 1593 C LEU A 98 -3.543 6.198 -5.360 1.00 0.00 C ATOM 1594 O LEU A 98 -3.596 5.831 -6.517 1.00 0.00 O ATOM 1595 CB LEU A 98 -2.256 5.096 -3.544 1.00 0.00 C ATOM 1596 CG LEU A 98 -1.013 5.171 -2.653 1.00 0.00 C ATOM 1597 CD1 LEU A 98 -1.177 4.220 -1.468 1.00 0.00 C ATOM 1598 CD2 LEU A 98 0.215 4.756 -3.458 1.00 0.00 C ATOM 0 H LEU A 98 -1.914 7.486 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.389 6.057 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.155 5.182 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.299 4.126 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.889 6.192 -2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.292 4.273 -0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.056 4.507 -0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.300 3.201 -1.834 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.100 4.809 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.087 3.735 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.337 5.427 -4.308 1.00 0.00 H new ATOM 1610 N LYS A 99 -4.606 6.603 -4.726 1.00 0.00 N ATOM 1611 CA LYS A 99 -5.923 6.625 -5.415 1.00 0.00 C ATOM 1612 C LYS A 99 -5.851 7.573 -6.612 1.00 0.00 C ATOM 1613 O LYS A 99 -6.380 7.296 -7.670 1.00 0.00 O ATOM 1614 CB LYS A 99 -6.994 7.100 -4.432 1.00 0.00 C ATOM 1615 CG LYS A 99 -8.362 7.126 -5.121 1.00 0.00 C ATOM 1616 CD LYS A 99 -9.400 7.726 -4.169 1.00 0.00 C ATOM 1617 CE LYS A 99 -10.794 7.593 -4.784 1.00 0.00 C ATOM 1618 NZ LYS A 99 -11.495 6.425 -4.179 1.00 0.00 N ATOM 0 H LYS A 99 -4.619 6.921 -3.757 1.00 0.00 H new ATOM 0 HA LYS A 99 -6.177 5.625 -5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -7.026 6.437 -3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -6.745 8.095 -4.062 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -8.309 7.715 -6.037 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.656 6.116 -5.408 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.365 7.215 -3.207 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.173 8.775 -3.981 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.367 8.504 -4.612 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -10.716 7.465 -5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.517 6.615 -4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -11.321 5.578 -4.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.137 6.266 -3.216 1.00 0.00 H new ATOM 1632 N LYS A 100 -5.194 8.688 -6.453 1.00 0.00 N ATOM 1633 CA LYS A 100 -5.080 9.655 -7.581 1.00 0.00 C ATOM 1634 C LYS A 100 -4.389 8.971 -8.755 1.00 0.00 C ATOM 1635 O LYS A 100 -4.795 9.092 -9.894 1.00 0.00 O ATOM 1636 CB LYS A 100 -4.235 10.848 -7.135 1.00 0.00 C ATOM 1637 CG LYS A 100 -4.320 11.958 -8.185 1.00 0.00 C ATOM 1638 CD LYS A 100 -3.425 13.125 -7.766 1.00 0.00 C ATOM 1639 CE LYS A 100 -3.632 14.297 -8.727 1.00 0.00 C ATOM 1640 NZ LYS A 100 -4.060 15.500 -7.957 1.00 0.00 N ATOM 0 H LYS A 100 -4.731 8.972 -5.590 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.072 9.994 -7.878 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -4.588 11.217 -6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.198 10.541 -6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.008 11.578 -9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.351 12.296 -8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.661 13.431 -6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.380 12.816 -7.772 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -2.708 14.507 -9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.385 14.042 -9.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.201 16.298 -8.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.951 15.296 -7.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.326 15.747 -7.262 1.00 0.00 H new ATOM 1654 N ALA A 101 -3.348 8.243 -8.475 1.00 0.00 N ATOM 1655 CA ALA A 101 -2.617 7.531 -9.559 1.00 0.00 C ATOM 1656 C ALA A 101 -3.500 6.402 -10.076 1.00 0.00 C ATOM 1657 O ALA A 101 -3.699 6.244 -11.264 1.00 0.00 O ATOM 1658 CB ALA A 101 -1.313 6.953 -9.004 1.00 0.00 C ATOM 0 H ALA A 101 -2.969 8.109 -7.538 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.381 8.221 -10.369 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.779 6.432 -9.798 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -0.692 7.761 -8.618 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.539 6.253 -8.199 1.00 0.00 H new ATOM 1664 N THR A 102 -4.051 5.627 -9.184 1.00 0.00 N ATOM 1665 CA THR A 102 -4.944 4.522 -9.612 1.00 0.00 C ATOM 1666 C THR A 102 -6.137 5.131 -10.344 1.00 0.00 C ATOM 1667 O THR A 102 -6.701 4.540 -11.244 1.00 0.00 O ATOM 1668 CB THR A 102 -5.431 3.748 -8.383 1.00 0.00 C ATOM 1669 OG1 THR A 102 -4.311 3.330 -7.616 1.00 0.00 O ATOM 1670 CG2 THR A 102 -6.230 2.522 -8.830 1.00 0.00 C ATOM 0 H THR A 102 -3.919 5.714 -8.176 1.00 0.00 H new ATOM 0 HA THR A 102 -4.409 3.836 -10.269 1.00 0.00 H new ATOM 0 HB THR A 102 -6.069 4.392 -7.778 1.00 0.00 H new ATOM 0 HG1 THR A 102 -3.984 4.081 -7.078 1.00 0.00 H new ATOM 0 HG21 THR A 102 -6.575 1.973 -7.954 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.089 2.843 -9.419 1.00 0.00 H new ATOM 0 HG23 THR A 102 -5.596 1.875 -9.436 1.00 0.00 H new ATOM 1678 N GLU A 103 -6.524 6.319 -9.959 1.00 0.00 N ATOM 1679 CA GLU A 103 -7.682 6.978 -10.628 1.00 0.00 C ATOM 1680 C GLU A 103 -7.350 7.212 -12.103 1.00 0.00 C ATOM 1681 O GLU A 103 -6.411 6.653 -12.634 1.00 0.00 O ATOM 1682 CB GLU A 103 -7.969 8.320 -9.950 1.00 0.00 C ATOM 1683 CG GLU A 103 -9.228 8.942 -10.558 1.00 0.00 C ATOM 1684 CD GLU A 103 -10.450 8.109 -10.164 1.00 0.00 C ATOM 1685 OE1 GLU A 103 -10.382 7.439 -9.146 1.00 0.00 O ATOM 1686 OE2 GLU A 103 -11.432 8.156 -10.886 1.00 0.00 O ATOM 0 H GLU A 103 -6.089 6.860 -9.212 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.561 6.338 -10.549 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -8.103 8.176 -8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -7.121 8.992 -10.078 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -9.345 9.968 -10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -9.138 8.984 -11.643 1.00 0.00 H new