USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 598 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 24 THR OG1 : rot -170:sc= -0.0164 USER MOD Set 1.2: A 26 LYS NZ :NH3+ -134:sc= -1.99 (180deg=-4.79!) USER MOD Set 2.1: A 21 ASN : amide:sc= -1.52 K(o=-4.7,f=-8!) USER MOD Set 2.2: A 23 LYS NZ :NH3+ -178:sc= -3.19 (180deg=-3.24!) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -132:sc= -1.25 (180deg=-3.53!) USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00475 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -2.63! C(o=-2.6!,f=-2.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 178:sc= -0.298 (180deg=-0.305) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -104:sc= -2.08 (180deg=-5!) USER MOD Single : A 42 SER OG : rot -5:sc= 0.552! USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.922 K(o=-0.92,f=0) USER MOD Single : A 53 THR OG1 : rot 66:sc= 0.827 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00481 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0857 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -1.25! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -158:sc= -0.219 (180deg=-1.22!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 26 N VAL A 3 1.593 13.469 -0.860 1.00 0.00 N ATOM 27 CA VAL A 3 0.856 12.655 0.147 1.00 0.00 C ATOM 28 C VAL A 3 0.491 11.274 -0.418 1.00 0.00 C ATOM 29 O VAL A 3 0.076 10.401 0.322 1.00 0.00 O ATOM 30 CB VAL A 3 -0.445 13.410 0.545 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.197 14.918 0.491 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.617 13.069 -0.397 1.00 0.00 C ATOM 0 HA VAL A 3 1.496 12.509 1.017 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.712 13.097 1.554 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.108 15.447 0.770 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.602 15.180 1.185 1.00 0.00 H new ATOM 0 HG13 VAL A 3 0.093 15.203 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.506 13.617 -0.085 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.357 13.350 -1.418 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.817 11.998 -0.356 1.00 0.00 H new ATOM 42 N TYR A 4 0.577 11.058 -1.711 1.00 0.00 N ATOM 43 CA TYR A 4 0.145 9.723 -2.236 1.00 0.00 C ATOM 44 C TYR A 4 1.196 8.652 -1.898 1.00 0.00 C ATOM 45 O TYR A 4 0.881 7.605 -1.371 1.00 0.00 O ATOM 46 CB TYR A 4 -0.124 9.813 -3.743 1.00 0.00 C ATOM 47 CG TYR A 4 -1.569 10.176 -4.012 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.576 9.233 -3.785 1.00 0.00 C ATOM 49 CD2 TYR A 4 -1.896 11.443 -4.515 1.00 0.00 C ATOM 50 CE1 TYR A 4 -3.909 9.551 -4.058 1.00 0.00 C ATOM 51 CE2 TYR A 4 -3.232 11.763 -4.783 1.00 0.00 C ATOM 52 CZ TYR A 4 -4.239 10.817 -4.556 1.00 0.00 C ATOM 53 OH TYR A 4 -5.555 11.130 -4.825 1.00 0.00 O ATOM 0 H TYR A 4 0.916 11.724 -2.405 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.786 9.427 -1.753 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.532 10.560 -4.190 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.110 8.859 -4.216 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.323 8.257 -3.398 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.119 12.171 -4.695 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.685 8.820 -3.885 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.486 12.741 -5.165 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.610 12.048 -5.163 1.00 0.00 H new ATOM 63 N CYS A 5 2.444 8.916 -2.194 1.00 0.00 N ATOM 64 CA CYS A 5 3.507 7.917 -1.878 1.00 0.00 C ATOM 65 C CYS A 5 3.417 7.576 -0.384 1.00 0.00 C ATOM 66 O CYS A 5 3.524 6.428 0.000 1.00 0.00 O ATOM 67 CB CYS A 5 4.893 8.499 -2.176 1.00 0.00 C ATOM 68 SG CYS A 5 5.195 8.449 -3.947 1.00 0.00 S ATOM 0 H CYS A 5 2.770 9.775 -2.638 1.00 0.00 H new ATOM 0 HA CYS A 5 3.363 7.026 -2.489 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.954 9.526 -1.815 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.659 7.930 -1.649 1.00 0.00 H new ATOM 73 N GLU A 6 3.241 8.552 0.463 1.00 0.00 N ATOM 74 CA GLU A 6 3.170 8.258 1.921 1.00 0.00 C ATOM 75 C GLU A 6 2.084 7.212 2.201 1.00 0.00 C ATOM 76 O GLU A 6 2.268 6.323 3.007 1.00 0.00 O ATOM 77 CB GLU A 6 2.858 9.546 2.687 1.00 0.00 C ATOM 78 CG GLU A 6 3.036 9.307 4.189 1.00 0.00 C ATOM 79 CD GLU A 6 4.522 9.124 4.506 1.00 0.00 C ATOM 80 OE1 GLU A 6 5.308 9.942 4.059 1.00 0.00 O ATOM 81 OE2 GLU A 6 4.847 8.168 5.192 1.00 0.00 O ATOM 0 H GLU A 6 3.144 9.535 0.210 1.00 0.00 H new ATOM 0 HA GLU A 6 4.130 7.861 2.250 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.518 10.347 2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.838 9.867 2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 6 2.635 10.150 4.752 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.477 8.423 4.496 1.00 0.00 H new ATOM 88 N VAL A 7 0.950 7.311 1.560 1.00 0.00 N ATOM 89 CA VAL A 7 -0.131 6.315 1.828 1.00 0.00 C ATOM 90 C VAL A 7 0.217 4.942 1.240 1.00 0.00 C ATOM 91 O VAL A 7 -0.014 3.928 1.868 1.00 0.00 O ATOM 92 CB VAL A 7 -1.464 6.799 1.249 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.533 5.729 1.483 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.884 8.116 1.922 1.00 0.00 C ATOM 0 H VAL A 7 0.726 8.028 0.871 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.223 6.215 2.909 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.352 6.974 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.484 6.069 1.073 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.235 4.803 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.642 5.552 2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.833 8.452 1.504 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.996 7.957 2.994 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.121 8.874 1.746 1.00 0.00 H new ATOM 104 N CYS A 8 0.760 4.875 0.051 1.00 0.00 N ATOM 105 CA CYS A 8 1.094 3.543 -0.531 1.00 0.00 C ATOM 106 C CYS A 8 2.057 2.814 0.396 1.00 0.00 C ATOM 107 O CYS A 8 1.849 1.667 0.738 1.00 0.00 O ATOM 108 CB CYS A 8 1.713 3.746 -1.918 1.00 0.00 C ATOM 109 SG CYS A 8 3.466 4.151 -1.816 1.00 0.00 S ATOM 0 H CYS A 8 0.984 5.678 -0.536 1.00 0.00 H new ATOM 0 HA CYS A 8 0.194 2.937 -0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.583 2.840 -2.510 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.185 4.545 -2.438 1.00 0.00 H new ATOM 114 N GLU A 9 3.104 3.459 0.818 1.00 0.00 N ATOM 115 CA GLU A 9 4.053 2.775 1.727 1.00 0.00 C ATOM 116 C GLU A 9 3.341 2.450 3.040 1.00 0.00 C ATOM 117 O GLU A 9 3.685 1.496 3.709 1.00 0.00 O ATOM 118 CB GLU A 9 5.244 3.691 2.029 1.00 0.00 C ATOM 119 CG GLU A 9 6.087 3.897 0.769 1.00 0.00 C ATOM 120 CD GLU A 9 6.733 2.572 0.356 1.00 0.00 C ATOM 121 OE1 GLU A 9 7.270 1.902 1.223 1.00 0.00 O ATOM 122 OE2 GLU A 9 6.679 2.251 -0.820 1.00 0.00 O ATOM 0 H GLU A 9 3.341 4.421 0.575 1.00 0.00 H new ATOM 0 HA GLU A 9 4.408 1.862 1.250 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.888 4.653 2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.857 3.254 2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 9 5.462 4.275 -0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 9 6.857 4.646 0.954 1.00 0.00 H new ATOM 129 N PHE A 10 2.349 3.216 3.432 1.00 0.00 N ATOM 130 CA PHE A 10 1.656 2.895 4.710 1.00 0.00 C ATOM 131 C PHE A 10 0.806 1.623 4.549 1.00 0.00 C ATOM 132 O PHE A 10 0.882 0.720 5.359 1.00 0.00 O ATOM 133 CB PHE A 10 0.760 4.059 5.135 1.00 0.00 C ATOM 134 CG PHE A 10 0.086 3.688 6.429 1.00 0.00 C ATOM 135 CD1 PHE A 10 -1.113 2.971 6.408 1.00 0.00 C ATOM 136 CD2 PHE A 10 0.675 4.037 7.648 1.00 0.00 C ATOM 137 CE1 PHE A 10 -1.727 2.599 7.611 1.00 0.00 C ATOM 138 CE2 PHE A 10 0.062 3.670 8.851 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.137 2.949 8.833 1.00 0.00 C ATOM 0 H PHE A 10 1.999 4.032 2.931 1.00 0.00 H new ATOM 0 HA PHE A 10 2.411 2.727 5.478 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.351 4.966 5.261 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.017 4.267 4.365 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.566 2.704 5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.603 4.590 7.661 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.653 2.044 7.597 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.514 3.943 9.793 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.608 2.662 9.761 1.00 0.00 H new ATOM 149 N LEU A 11 0.010 1.526 3.510 1.00 0.00 N ATOM 150 CA LEU A 11 -0.811 0.287 3.325 1.00 0.00 C ATOM 151 C LEU A 11 0.126 -0.910 3.175 1.00 0.00 C ATOM 152 O LEU A 11 -0.119 -1.964 3.726 1.00 0.00 O ATOM 153 CB LEU A 11 -1.679 0.379 2.055 1.00 0.00 C ATOM 154 CG LEU A 11 -2.607 1.606 2.119 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.117 1.937 0.712 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.810 1.316 3.024 1.00 0.00 C ATOM 0 H LEU A 11 -0.106 2.240 2.791 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.461 0.175 4.193 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.039 0.446 1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.274 -0.528 1.948 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.044 2.448 2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.774 2.806 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.271 2.156 0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.669 1.085 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.458 2.192 3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.368 0.468 2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.461 1.081 4.030 1.00 0.00 H new ATOM 168 N VAL A 12 1.192 -0.775 2.432 1.00 0.00 N ATOM 169 CA VAL A 12 2.119 -1.925 2.259 1.00 0.00 C ATOM 170 C VAL A 12 2.668 -2.364 3.631 1.00 0.00 C ATOM 171 O VAL A 12 2.656 -3.531 3.959 1.00 0.00 O ATOM 172 CB VAL A 12 3.269 -1.482 1.331 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.505 -2.368 1.521 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.808 -1.575 -0.129 1.00 0.00 C ATOM 0 H VAL A 12 1.458 0.078 1.941 1.00 0.00 H new ATOM 0 HA VAL A 12 1.596 -2.773 1.817 1.00 0.00 H new ATOM 0 HB VAL A 12 3.535 -0.455 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.299 -2.032 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.846 -2.300 2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.250 -3.402 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.619 -1.262 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.531 -2.604 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.946 -0.925 -0.281 1.00 0.00 H new ATOM 184 N LYS A 13 3.143 -1.442 4.434 1.00 0.00 N ATOM 185 CA LYS A 13 3.690 -1.826 5.774 1.00 0.00 C ATOM 186 C LYS A 13 2.598 -2.517 6.597 1.00 0.00 C ATOM 187 O LYS A 13 2.836 -3.506 7.262 1.00 0.00 O ATOM 188 CB LYS A 13 4.186 -0.565 6.499 1.00 0.00 C ATOM 189 CG LYS A 13 4.445 -0.864 7.992 1.00 0.00 C ATOM 190 CD LYS A 13 5.557 0.049 8.535 1.00 0.00 C ATOM 191 CE LYS A 13 5.284 1.515 8.156 1.00 0.00 C ATOM 192 NZ LYS A 13 5.963 1.831 6.867 1.00 0.00 N ATOM 0 H LYS A 13 3.176 -0.445 4.221 1.00 0.00 H new ATOM 0 HA LYS A 13 4.524 -2.517 5.648 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.102 -0.206 6.030 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.446 0.230 6.405 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.530 -0.713 8.564 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.730 -1.909 8.116 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.618 -0.047 9.619 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.521 -0.263 8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.211 1.684 8.065 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.646 2.178 8.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.488 2.724 6.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.623 1.065 6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.252 1.925 6.114 1.00 0.00 H new ATOM 206 N GLU A 14 1.413 -1.984 6.574 1.00 0.00 N ATOM 207 CA GLU A 14 0.306 -2.582 7.372 1.00 0.00 C ATOM 208 C GLU A 14 -0.097 -3.928 6.763 1.00 0.00 C ATOM 209 O GLU A 14 -0.416 -4.862 7.471 1.00 0.00 O ATOM 210 CB GLU A 14 -0.887 -1.602 7.376 1.00 0.00 C ATOM 211 CG GLU A 14 -1.522 -1.537 8.772 1.00 0.00 C ATOM 212 CD GLU A 14 -2.075 -2.910 9.150 1.00 0.00 C ATOM 213 OE1 GLU A 14 -2.939 -3.396 8.440 1.00 0.00 O ATOM 214 OE2 GLU A 14 -1.624 -3.455 10.144 1.00 0.00 O ATOM 0 H GLU A 14 1.159 -1.156 6.035 1.00 0.00 H new ATOM 0 HA GLU A 14 0.629 -2.755 8.399 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.551 -0.609 7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.631 -1.921 6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.781 -1.218 9.505 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.321 -0.796 8.784 1.00 0.00 H new ATOM 221 N VAL A 15 -0.100 -4.042 5.470 1.00 0.00 N ATOM 222 CA VAL A 15 -0.501 -5.336 4.862 1.00 0.00 C ATOM 223 C VAL A 15 0.544 -6.417 5.178 1.00 0.00 C ATOM 224 O VAL A 15 0.197 -7.539 5.463 1.00 0.00 O ATOM 225 CB VAL A 15 -0.668 -5.171 3.336 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.606 -6.539 2.643 1.00 0.00 C ATOM 227 CG2 VAL A 15 -2.024 -4.523 3.039 1.00 0.00 C ATOM 0 H VAL A 15 0.155 -3.305 4.813 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.456 -5.648 5.285 1.00 0.00 H new ATOM 0 HB VAL A 15 0.138 -4.541 2.960 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.725 -6.408 1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.357 -7.007 2.847 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.406 -7.175 3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.143 -4.406 1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.822 -5.156 3.426 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.073 -3.545 3.518 1.00 0.00 H new ATOM 237 N THR A 16 1.814 -6.130 5.099 1.00 0.00 N ATOM 238 CA THR A 16 2.781 -7.231 5.368 1.00 0.00 C ATOM 239 C THR A 16 2.649 -7.718 6.805 1.00 0.00 C ATOM 240 O THR A 16 2.737 -8.902 7.065 1.00 0.00 O ATOM 241 CB THR A 16 4.233 -6.830 5.111 1.00 0.00 C ATOM 242 OG1 THR A 16 4.775 -6.246 6.288 1.00 0.00 O ATOM 243 CG2 THR A 16 4.349 -5.837 3.948 1.00 0.00 C ATOM 0 H THR A 16 2.213 -5.220 4.870 1.00 0.00 H new ATOM 0 HA THR A 16 2.530 -8.030 4.671 1.00 0.00 H new ATOM 0 HB THR A 16 4.789 -7.728 4.843 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.707 -5.989 6.127 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.396 -5.576 3.796 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.953 -6.292 3.040 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.780 -4.937 4.180 1.00 0.00 H new ATOM 251 N LYS A 17 2.426 -6.850 7.750 1.00 0.00 N ATOM 252 CA LYS A 17 2.287 -7.356 9.136 1.00 0.00 C ATOM 253 C LYS A 17 1.069 -8.276 9.154 1.00 0.00 C ATOM 254 O LYS A 17 1.008 -9.253 9.872 1.00 0.00 O ATOM 255 CB LYS A 17 2.086 -6.195 10.125 1.00 0.00 C ATOM 256 CG LYS A 17 1.486 -6.738 11.438 1.00 0.00 C ATOM 257 CD LYS A 17 1.786 -5.797 12.602 1.00 0.00 C ATOM 258 CE LYS A 17 1.261 -6.431 13.894 1.00 0.00 C ATOM 259 NZ LYS A 17 1.799 -5.689 15.068 1.00 0.00 N ATOM 0 H LYS A 17 2.336 -5.841 7.627 1.00 0.00 H new ATOM 0 HA LYS A 17 3.188 -7.889 9.439 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.038 -5.703 10.324 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.424 -5.445 9.693 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.408 -6.856 11.329 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.895 -7.726 11.649 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.859 -5.619 12.677 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.313 -4.829 12.437 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.171 -6.409 13.905 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.559 -7.478 13.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.442 -6.120 15.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.838 -5.732 15.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.493 -4.696 15.021 1.00 0.00 H new ATOM 273 N LEU A 18 0.098 -7.948 8.346 1.00 0.00 N ATOM 274 CA LEU A 18 -1.137 -8.767 8.270 1.00 0.00 C ATOM 275 C LEU A 18 -0.781 -10.078 7.559 1.00 0.00 C ATOM 276 O LEU A 18 -1.255 -11.139 7.913 1.00 0.00 O ATOM 277 CB LEU A 18 -2.217 -7.992 7.482 1.00 0.00 C ATOM 278 CG LEU A 18 -2.808 -6.749 8.259 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.325 -6.888 8.413 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.222 -6.559 9.670 1.00 0.00 C ATOM 0 H LEU A 18 0.112 -7.136 7.729 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.531 -8.981 9.264 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.789 -7.649 6.540 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.031 -8.673 7.234 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.537 -5.883 7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.717 -6.024 8.950 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.787 -6.943 7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.552 -7.796 8.971 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.677 -5.686 10.139 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.429 -7.444 10.272 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.144 -6.412 9.600 1.00 0.00 H new ATOM 292 N ILE A 19 0.086 -10.009 6.584 1.00 0.00 N ATOM 293 CA ILE A 19 0.521 -11.242 5.871 1.00 0.00 C ATOM 294 C ILE A 19 1.411 -12.023 6.832 1.00 0.00 C ATOM 295 O ILE A 19 1.450 -13.238 6.825 1.00 0.00 O ATOM 296 CB ILE A 19 1.321 -10.863 4.609 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.383 -10.172 3.604 1.00 0.00 C ATOM 298 CG2 ILE A 19 1.918 -12.120 3.967 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.177 -9.696 2.382 1.00 0.00 C ATOM 0 H ILE A 19 0.513 -9.145 6.250 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.338 -11.838 5.563 1.00 0.00 H new ATOM 0 HB ILE A 19 2.130 -10.187 4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.400 -10.863 3.292 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.111 -9.324 4.079 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.481 -11.841 3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.583 -12.611 4.678 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.115 -12.803 3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.503 -9.209 1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.944 -8.989 2.699 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.650 -10.551 1.899 1.00 0.00 H new ATOM 311 N ASP A 20 2.130 -11.316 7.657 1.00 0.00 N ATOM 312 CA ASP A 20 3.034 -11.978 8.631 1.00 0.00 C ATOM 313 C ASP A 20 2.229 -12.549 9.801 1.00 0.00 C ATOM 314 O ASP A 20 2.676 -13.465 10.462 1.00 0.00 O ATOM 315 CB ASP A 20 4.038 -10.953 9.162 1.00 0.00 C ATOM 316 CG ASP A 20 5.113 -11.669 9.981 1.00 0.00 C ATOM 317 OD1 ASP A 20 6.110 -12.061 9.399 1.00 0.00 O ATOM 318 OD2 ASP A 20 4.921 -11.813 11.177 1.00 0.00 O ATOM 0 H ASP A 20 2.128 -10.297 7.697 1.00 0.00 H new ATOM 0 HA ASP A 20 3.559 -12.793 8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.496 -10.414 8.333 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.527 -10.214 9.779 1.00 0.00 H new ATOM 323 N ASN A 21 1.050 -12.024 10.078 1.00 0.00 N ATOM 324 CA ASN A 21 0.259 -12.571 11.232 1.00 0.00 C ATOM 325 C ASN A 21 -0.604 -13.746 10.750 1.00 0.00 C ATOM 326 O ASN A 21 -1.312 -14.353 11.525 1.00 0.00 O ATOM 327 CB ASN A 21 -0.596 -11.478 11.883 1.00 0.00 C ATOM 328 CG ASN A 21 -1.109 -11.971 13.236 1.00 0.00 C ATOM 329 OD1 ASN A 21 -2.260 -11.769 13.573 1.00 0.00 O ATOM 330 ND2 ASN A 21 -0.300 -12.614 14.032 1.00 0.00 N ATOM 0 H ASN A 21 0.612 -11.258 9.566 1.00 0.00 H new ATOM 0 HA ASN A 21 0.948 -12.933 11.995 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.007 -10.570 12.014 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.435 -11.223 11.235 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.633 -12.947 14.937 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.665 -12.784 13.750 1.00 0.00 H new ATOM 337 N ASN A 22 -0.485 -14.113 9.494 1.00 0.00 N ATOM 338 CA ASN A 22 -1.222 -15.314 8.953 1.00 0.00 C ATOM 339 C ASN A 22 -2.706 -15.043 8.655 1.00 0.00 C ATOM 340 O ASN A 22 -3.543 -15.879 8.933 1.00 0.00 O ATOM 341 CB ASN A 22 -1.128 -16.477 9.961 1.00 0.00 C ATOM 342 CG ASN A 22 0.243 -16.464 10.642 1.00 0.00 C ATOM 343 OD1 ASN A 22 1.262 -16.503 9.980 1.00 0.00 O ATOM 344 ND2 ASN A 22 0.312 -16.410 11.943 1.00 0.00 N ATOM 0 H ASN A 22 0.097 -13.629 8.810 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.742 -15.565 8.007 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.916 -16.387 10.708 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.281 -17.427 9.449 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.221 -16.400 12.406 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.543 -16.377 12.498 1.00 0.00 H new ATOM 351 N LYS A 23 -3.057 -13.921 8.088 1.00 0.00 N ATOM 352 CA LYS A 23 -4.507 -13.668 7.780 1.00 0.00 C ATOM 353 C LYS A 23 -4.766 -14.048 6.313 1.00 0.00 C ATOM 354 O LYS A 23 -3.890 -13.974 5.475 1.00 0.00 O ATOM 355 CB LYS A 23 -4.832 -12.193 8.018 1.00 0.00 C ATOM 356 CG LYS A 23 -4.120 -11.676 9.307 1.00 0.00 C ATOM 357 CD LYS A 23 -5.096 -10.933 10.239 1.00 0.00 C ATOM 358 CE LYS A 23 -4.368 -10.555 11.528 1.00 0.00 C ATOM 359 NZ LYS A 23 -3.241 -9.631 11.210 1.00 0.00 N ATOM 0 H LYS A 23 -2.416 -13.172 7.825 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.145 -14.268 8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.515 -11.602 7.159 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.910 -12.063 8.114 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.677 -12.517 9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.304 -11.009 9.029 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.478 -10.039 9.747 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.955 -11.565 10.464 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.059 -10.077 12.222 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.990 -11.451 12.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.724 -9.400 12.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.595 -10.090 10.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.617 -8.757 10.789 1.00 0.00 H new ATOM 373 N THR A 24 -5.974 -14.458 6.004 1.00 0.00 N ATOM 374 CA THR A 24 -6.312 -14.850 4.602 1.00 0.00 C ATOM 375 C THR A 24 -6.557 -13.610 3.737 1.00 0.00 C ATOM 376 O THR A 24 -6.808 -12.532 4.235 1.00 0.00 O ATOM 377 CB THR A 24 -7.584 -15.712 4.591 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.723 -14.873 4.446 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.698 -16.490 5.898 1.00 0.00 C ATOM 0 H THR A 24 -6.744 -14.538 6.669 1.00 0.00 H new ATOM 0 HA THR A 24 -5.471 -15.414 4.198 1.00 0.00 H new ATOM 0 HB THR A 24 -7.532 -16.413 3.758 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.537 -15.398 4.596 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.602 -17.098 5.882 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.828 -17.136 6.014 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.745 -15.792 6.734 1.00 0.00 H new ATOM 387 N GLU A 25 -6.514 -13.768 2.443 1.00 0.00 N ATOM 388 CA GLU A 25 -6.773 -12.609 1.538 1.00 0.00 C ATOM 389 C GLU A 25 -8.133 -12.004 1.913 1.00 0.00 C ATOM 390 O GLU A 25 -8.286 -10.802 2.016 1.00 0.00 O ATOM 391 CB GLU A 25 -6.775 -13.098 0.081 1.00 0.00 C ATOM 392 CG GLU A 25 -7.387 -12.032 -0.859 1.00 0.00 C ATOM 393 CD GLU A 25 -8.858 -12.357 -1.153 1.00 0.00 C ATOM 394 OE1 GLU A 25 -9.511 -12.900 -0.278 1.00 0.00 O ATOM 395 OE2 GLU A 25 -9.303 -12.057 -2.249 1.00 0.00 O ATOM 0 H GLU A 25 -6.311 -14.649 1.971 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.999 -11.849 1.644 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.756 -13.323 -0.233 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.344 -14.025 0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.311 -11.046 -0.400 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.823 -11.994 -1.791 1.00 0.00 H new ATOM 402 N LYS A 26 -9.120 -12.835 2.113 1.00 0.00 N ATOM 403 CA LYS A 26 -10.481 -12.339 2.478 1.00 0.00 C ATOM 404 C LYS A 26 -10.428 -11.447 3.724 1.00 0.00 C ATOM 405 O LYS A 26 -11.208 -10.525 3.864 1.00 0.00 O ATOM 406 CB LYS A 26 -11.400 -13.532 2.751 1.00 0.00 C ATOM 407 CG LYS A 26 -12.778 -13.026 3.184 1.00 0.00 C ATOM 408 CD LYS A 26 -13.797 -14.167 3.108 1.00 0.00 C ATOM 409 CE LYS A 26 -13.452 -15.250 4.136 1.00 0.00 C ATOM 410 NZ LYS A 26 -12.359 -16.112 3.604 1.00 0.00 N ATOM 0 H LYS A 26 -9.041 -13.849 2.038 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.866 -11.749 1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.491 -14.147 1.855 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.972 -14.164 3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.730 -12.637 4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.092 -12.203 2.542 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -14.800 -13.783 3.296 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.802 -14.595 2.105 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.142 -14.790 5.074 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.333 -15.854 4.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.598 -17.112 3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.245 -15.939 2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.470 -15.888 4.095 1.00 0.00 H new ATOM 424 N GLU A 27 -9.533 -11.706 4.633 1.00 0.00 N ATOM 425 CA GLU A 27 -9.465 -10.862 5.863 1.00 0.00 C ATOM 426 C GLU A 27 -8.798 -9.513 5.549 1.00 0.00 C ATOM 427 O GLU A 27 -9.159 -8.497 6.109 1.00 0.00 O ATOM 428 CB GLU A 27 -8.652 -11.579 6.942 1.00 0.00 C ATOM 429 CG GLU A 27 -9.462 -12.727 7.538 1.00 0.00 C ATOM 430 CD GLU A 27 -8.603 -13.489 8.548 1.00 0.00 C ATOM 431 OE1 GLU A 27 -7.828 -12.849 9.240 1.00 0.00 O ATOM 432 OE2 GLU A 27 -8.736 -14.700 8.615 1.00 0.00 O ATOM 0 H GLU A 27 -8.848 -12.460 4.582 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.481 -10.689 6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.725 -11.962 6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.374 -10.875 7.726 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.357 -12.340 8.025 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.795 -13.400 6.748 1.00 0.00 H new ATOM 439 N ILE A 28 -7.828 -9.487 4.678 1.00 0.00 N ATOM 440 CA ILE A 28 -7.151 -8.195 4.361 1.00 0.00 C ATOM 441 C ILE A 28 -8.143 -7.264 3.673 1.00 0.00 C ATOM 442 O ILE A 28 -8.196 -6.083 3.955 1.00 0.00 O ATOM 443 CB ILE A 28 -5.938 -8.501 3.466 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.245 -9.767 4.041 1.00 0.00 C ATOM 445 CG2 ILE A 28 -4.989 -7.298 3.433 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.720 -9.751 3.877 1.00 0.00 C ATOM 0 H ILE A 28 -7.475 -10.300 4.173 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.803 -7.695 5.265 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.244 -8.688 2.437 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.489 -9.857 5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.648 -10.650 3.545 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.134 -7.526 2.796 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.515 -6.430 3.036 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.641 -7.081 4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.299 -10.663 4.299 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.469 -9.692 2.818 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.307 -8.886 4.397 1.00 0.00 H new ATOM 458 N LEU A 29 -8.941 -7.778 2.786 1.00 0.00 N ATOM 459 CA LEU A 29 -9.937 -6.920 2.098 1.00 0.00 C ATOM 460 C LEU A 29 -11.041 -6.523 3.086 1.00 0.00 C ATOM 461 O LEU A 29 -11.610 -5.456 3.007 1.00 0.00 O ATOM 462 CB LEU A 29 -10.531 -7.704 0.929 1.00 0.00 C ATOM 463 CG LEU A 29 -9.392 -8.264 0.068 1.00 0.00 C ATOM 464 CD1 LEU A 29 -9.988 -9.094 -1.076 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.564 -7.105 -0.514 1.00 0.00 C ATOM 0 H LEU A 29 -8.946 -8.759 2.507 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.461 -6.013 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.156 -8.516 1.300 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.172 -7.057 0.330 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.746 -8.893 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.183 -9.495 -1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.573 -9.916 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.632 -8.462 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.756 -7.506 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.205 -6.473 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.144 -6.513 0.300 1.00 0.00 H new ATOM 477 N ASP A 30 -11.337 -7.376 4.028 1.00 0.00 N ATOM 478 CA ASP A 30 -12.383 -7.041 5.038 1.00 0.00 C ATOM 479 C ASP A 30 -11.872 -5.889 5.916 1.00 0.00 C ATOM 480 O ASP A 30 -12.597 -4.965 6.224 1.00 0.00 O ATOM 481 CB ASP A 30 -12.671 -8.266 5.909 1.00 0.00 C ATOM 482 CG ASP A 30 -13.856 -7.969 6.830 1.00 0.00 C ATOM 483 OD1 ASP A 30 -14.730 -7.225 6.416 1.00 0.00 O ATOM 484 OD2 ASP A 30 -13.869 -8.492 7.933 1.00 0.00 O ATOM 0 H ASP A 30 -10.900 -8.291 4.143 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.302 -6.742 4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.892 -9.129 5.280 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.791 -8.520 6.501 1.00 0.00 H new ATOM 489 N ALA A 31 -10.639 -5.950 6.337 1.00 0.00 N ATOM 490 CA ALA A 31 -10.086 -4.876 7.215 1.00 0.00 C ATOM 491 C ALA A 31 -9.963 -3.552 6.440 1.00 0.00 C ATOM 492 O ALA A 31 -9.994 -2.488 7.027 1.00 0.00 O ATOM 493 CB ALA A 31 -8.712 -5.317 7.727 1.00 0.00 C ATOM 0 H ALA A 31 -9.986 -6.700 6.111 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.760 -4.713 8.056 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.297 -4.541 8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.815 -6.242 8.295 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.045 -5.483 6.881 1.00 0.00 H new ATOM 499 N PHE A 32 -9.853 -3.586 5.142 1.00 0.00 N ATOM 500 CA PHE A 32 -9.764 -2.306 4.363 1.00 0.00 C ATOM 501 C PHE A 32 -10.937 -1.399 4.743 1.00 0.00 C ATOM 502 O PHE A 32 -10.983 -0.242 4.373 1.00 0.00 O ATOM 503 CB PHE A 32 -9.846 -2.649 2.866 1.00 0.00 C ATOM 504 CG PHE A 32 -8.494 -3.078 2.305 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.428 -3.483 3.140 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.309 -3.054 0.916 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.202 -3.850 2.575 1.00 0.00 C ATOM 508 CE2 PHE A 32 -7.078 -3.423 0.360 1.00 0.00 C ATOM 509 CZ PHE A 32 -6.026 -3.817 1.190 1.00 0.00 C ATOM 0 H PHE A 32 -9.820 -4.438 4.582 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.828 -1.792 4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.571 -3.449 2.716 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.209 -1.782 2.314 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.560 -3.509 4.212 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.120 -2.749 0.271 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.388 -4.160 3.213 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.942 -3.403 -0.711 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.075 -4.096 0.760 1.00 0.00 H new ATOM 519 N ASP A 33 -11.894 -1.919 5.457 1.00 0.00 N ATOM 520 CA ASP A 33 -13.076 -1.095 5.838 1.00 0.00 C ATOM 521 C ASP A 33 -12.783 -0.276 7.097 1.00 0.00 C ATOM 522 O ASP A 33 -13.432 0.719 7.353 1.00 0.00 O ATOM 523 CB ASP A 33 -14.266 -2.018 6.108 1.00 0.00 C ATOM 524 CG ASP A 33 -14.578 -2.831 4.850 1.00 0.00 C ATOM 525 OD1 ASP A 33 -13.721 -3.593 4.434 1.00 0.00 O ATOM 526 OD2 ASP A 33 -15.668 -2.679 4.325 1.00 0.00 O ATOM 0 H ASP A 33 -11.910 -2.881 5.795 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.304 -0.412 5.020 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.040 -2.686 6.939 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.137 -1.430 6.399 1.00 0.00 H new ATOM 531 N LYS A 34 -11.809 -0.673 7.884 1.00 0.00 N ATOM 532 CA LYS A 34 -11.470 0.097 9.125 1.00 0.00 C ATOM 533 C LYS A 34 -9.962 0.379 9.161 1.00 0.00 C ATOM 534 O LYS A 34 -9.433 0.823 10.159 1.00 0.00 O ATOM 535 CB LYS A 34 -11.877 -0.704 10.368 1.00 0.00 C ATOM 536 CG LYS A 34 -11.422 -2.158 10.228 1.00 0.00 C ATOM 537 CD LYS A 34 -11.645 -2.898 11.552 1.00 0.00 C ATOM 538 CE LYS A 34 -13.146 -3.052 11.823 1.00 0.00 C ATOM 539 NZ LYS A 34 -13.357 -4.130 12.831 1.00 0.00 N ATOM 0 H LYS A 34 -11.233 -1.499 7.720 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.014 1.041 9.118 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.432 -0.260 11.258 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.958 -0.664 10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.978 -2.648 9.428 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.368 -2.195 9.953 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.172 -3.879 11.513 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.175 -2.349 12.368 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.560 -2.112 12.187 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.671 -3.294 10.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.375 -4.237 13.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.976 -5.026 12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.868 -3.880 13.714 1.00 0.00 H new ATOM 553 N MET A 35 -9.264 0.134 8.078 1.00 0.00 N ATOM 554 CA MET A 35 -7.794 0.402 8.064 1.00 0.00 C ATOM 555 C MET A 35 -7.583 1.904 7.837 1.00 0.00 C ATOM 556 O MET A 35 -6.751 2.512 8.476 1.00 0.00 O ATOM 557 CB MET A 35 -7.133 -0.422 6.928 1.00 0.00 C ATOM 558 CG MET A 35 -5.907 -1.230 7.420 1.00 0.00 C ATOM 559 SD MET A 35 -6.384 -2.952 7.750 1.00 0.00 S ATOM 560 CE MET A 35 -5.459 -3.730 6.396 1.00 0.00 C ATOM 0 H MET A 35 -9.647 -0.238 7.209 1.00 0.00 H new ATOM 0 HA MET A 35 -7.338 0.110 9.010 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.868 -1.106 6.504 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.824 0.251 6.128 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.118 -1.201 6.669 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.503 -0.777 8.325 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.590 -4.811 6.440 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.830 -3.358 5.441 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.401 -3.488 6.492 1.00 0.00 H new ATOM 570 N CYS A 36 -8.318 2.527 6.951 1.00 0.00 N ATOM 571 CA CYS A 36 -8.097 3.981 6.763 1.00 0.00 C ATOM 572 C CYS A 36 -8.511 4.669 8.065 1.00 0.00 C ATOM 573 O CYS A 36 -8.461 5.876 8.187 1.00 0.00 O ATOM 574 CB CYS A 36 -8.920 4.505 5.583 1.00 0.00 C ATOM 575 SG CYS A 36 -7.980 4.302 4.052 1.00 0.00 S ATOM 0 H CYS A 36 -9.039 2.102 6.368 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.051 4.187 6.536 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.864 3.965 5.516 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.164 5.556 5.735 1.00 0.00 H new ATOM 580 N SER A 37 -8.928 3.904 9.034 1.00 0.00 N ATOM 581 CA SER A 37 -9.360 4.514 10.332 1.00 0.00 C ATOM 582 C SER A 37 -8.148 4.949 11.178 1.00 0.00 C ATOM 583 O SER A 37 -8.306 5.728 12.096 1.00 0.00 O ATOM 584 CB SER A 37 -10.179 3.493 11.120 1.00 0.00 C ATOM 585 OG SER A 37 -10.871 4.155 12.171 1.00 0.00 O ATOM 0 H SER A 37 -8.990 2.887 8.989 1.00 0.00 H new ATOM 0 HA SER A 37 -9.960 5.397 10.111 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.888 2.992 10.461 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.525 2.723 11.529 1.00 0.00 H new ATOM 0 HG SER A 37 -11.399 3.502 12.677 1.00 0.00 H new ATOM 591 N LYS A 38 -6.954 4.458 10.928 1.00 0.00 N ATOM 592 CA LYS A 38 -5.789 4.872 11.798 1.00 0.00 C ATOM 593 C LYS A 38 -5.041 6.086 11.211 1.00 0.00 C ATOM 594 O LYS A 38 -3.999 6.464 11.708 1.00 0.00 O ATOM 595 CB LYS A 38 -4.818 3.687 11.993 1.00 0.00 C ATOM 596 CG LYS A 38 -4.813 2.784 10.756 1.00 0.00 C ATOM 597 CD LYS A 38 -3.816 1.626 10.964 1.00 0.00 C ATOM 598 CE LYS A 38 -4.492 0.475 11.719 1.00 0.00 C ATOM 599 NZ LYS A 38 -3.539 -0.664 11.844 1.00 0.00 N ATOM 0 H LYS A 38 -6.733 3.803 10.178 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.190 5.169 12.767 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.812 4.062 12.180 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.112 3.110 12.870 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.813 2.389 10.578 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.537 3.361 9.873 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.451 1.273 10.000 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.949 1.978 11.523 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.807 0.810 12.707 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.390 0.156 11.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -3.997 -1.445 12.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.259 -0.988 10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.695 -0.355 12.367 1.00 0.00 H new ATOM 613 N LEU A 39 -5.563 6.712 10.184 1.00 0.00 N ATOM 614 CA LEU A 39 -4.881 7.917 9.593 1.00 0.00 C ATOM 615 C LEU A 39 -5.705 9.172 9.958 1.00 0.00 C ATOM 616 O LEU A 39 -6.918 9.113 9.912 1.00 0.00 O ATOM 617 CB LEU A 39 -4.828 7.766 8.071 1.00 0.00 C ATOM 618 CG LEU A 39 -4.141 6.444 7.696 1.00 0.00 C ATOM 619 CD1 LEU A 39 -4.043 6.343 6.173 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.725 6.388 8.299 1.00 0.00 C ATOM 0 H LEU A 39 -6.434 6.443 9.725 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.867 8.009 9.983 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.837 7.790 7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.286 8.604 7.633 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.728 5.614 8.090 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.556 5.406 5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.044 6.371 5.741 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.459 7.180 5.790 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.250 5.446 8.025 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.133 7.218 7.914 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.789 6.460 9.385 1.00 0.00 H new ATOM 632 N PRO A 40 -5.061 10.279 10.315 1.00 0.00 N ATOM 633 CA PRO A 40 -5.804 11.504 10.675 1.00 0.00 C ATOM 634 C PRO A 40 -6.952 11.735 9.670 1.00 0.00 C ATOM 635 O PRO A 40 -6.934 11.213 8.573 1.00 0.00 O ATOM 636 CB PRO A 40 -4.733 12.624 10.662 1.00 0.00 C ATOM 637 CG PRO A 40 -3.343 11.926 10.602 1.00 0.00 C ATOM 638 CD PRO A 40 -3.587 10.418 10.388 1.00 0.00 C ATOM 0 HA PRO A 40 -6.290 11.457 11.650 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.872 13.280 9.803 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.814 13.245 11.554 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.743 12.336 9.789 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.789 12.097 11.525 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.111 10.066 9.473 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.174 9.830 11.208 1.00 0.00 H new ATOM 646 N LYS A 41 -7.966 12.481 10.045 1.00 0.00 N ATOM 647 CA LYS A 41 -9.118 12.699 9.117 1.00 0.00 C ATOM 648 C LYS A 41 -8.691 13.451 7.856 1.00 0.00 C ATOM 649 O LYS A 41 -9.374 13.433 6.850 1.00 0.00 O ATOM 650 CB LYS A 41 -10.246 13.457 9.825 1.00 0.00 C ATOM 651 CG LYS A 41 -11.567 13.211 9.084 1.00 0.00 C ATOM 652 CD LYS A 41 -12.618 14.232 9.539 1.00 0.00 C ATOM 653 CE LYS A 41 -12.972 13.998 11.011 1.00 0.00 C ATOM 654 NZ LYS A 41 -11.916 14.592 11.879 1.00 0.00 N ATOM 0 H LYS A 41 -8.044 12.945 10.950 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.484 11.717 8.816 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.329 13.125 10.860 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.023 14.524 9.850 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.411 13.291 8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.921 12.199 9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.236 15.244 9.405 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.513 14.145 8.923 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.939 14.446 11.239 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.061 12.930 11.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.311 13.835 12.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.337 15.251 11.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.362 15.105 12.666 1.00 0.00 H new ATOM 668 N SER A 42 -7.619 14.192 7.928 1.00 0.00 N ATOM 669 CA SER A 42 -7.219 15.035 6.766 1.00 0.00 C ATOM 670 C SER A 42 -6.604 14.233 5.625 1.00 0.00 C ATOM 671 O SER A 42 -6.302 14.739 4.562 1.00 0.00 O ATOM 672 CB SER A 42 -6.233 16.108 7.227 1.00 0.00 C ATOM 673 OG SER A 42 -5.711 16.782 6.091 1.00 0.00 O ATOM 0 H SER A 42 -7.004 14.250 8.740 1.00 0.00 H new ATOM 0 HA SER A 42 -8.130 15.490 6.377 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.731 16.817 7.888 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.424 15.654 7.799 1.00 0.00 H new ATOM 0 HG SER A 42 -6.037 16.348 5.275 1.00 0.00 H new ATOM 679 N LEU A 43 -6.379 12.976 5.887 1.00 0.00 N ATOM 680 CA LEU A 43 -5.735 12.056 4.908 1.00 0.00 C ATOM 681 C LEU A 43 -6.773 11.005 4.514 1.00 0.00 C ATOM 682 O LEU A 43 -6.546 10.177 3.653 1.00 0.00 O ATOM 683 CB LEU A 43 -4.549 11.396 5.664 1.00 0.00 C ATOM 684 CG LEU A 43 -3.220 11.628 4.952 1.00 0.00 C ATOM 685 CD1 LEU A 43 -2.974 13.135 4.688 1.00 0.00 C ATOM 686 CD2 LEU A 43 -2.075 11.049 5.799 1.00 0.00 C ATOM 0 H LEU A 43 -6.624 12.533 6.772 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.382 12.559 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.494 11.799 6.675 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.729 10.325 5.757 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.257 11.123 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.019 13.264 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.774 13.530 4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.956 13.672 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.126 11.215 5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.056 11.542 6.771 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.230 9.979 5.938 1.00 0.00 H new ATOM 698 N SER A 44 -7.894 11.037 5.160 1.00 0.00 N ATOM 699 CA SER A 44 -8.983 10.056 4.876 1.00 0.00 C ATOM 700 C SER A 44 -9.084 9.763 3.377 1.00 0.00 C ATOM 701 O SER A 44 -8.975 8.645 2.917 1.00 0.00 O ATOM 702 CB SER A 44 -10.313 10.635 5.359 1.00 0.00 C ATOM 703 OG SER A 44 -11.376 9.796 4.927 1.00 0.00 O ATOM 0 H SER A 44 -8.114 11.714 5.891 1.00 0.00 H new ATOM 0 HA SER A 44 -8.756 9.126 5.397 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.315 10.713 6.446 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.448 11.643 4.967 1.00 0.00 H new ATOM 0 HG SER A 44 -12.230 10.164 5.237 1.00 0.00 H new ATOM 709 N GLU A 45 -9.465 10.787 2.658 1.00 0.00 N ATOM 710 CA GLU A 45 -9.802 10.706 1.205 1.00 0.00 C ATOM 711 C GLU A 45 -8.769 10.138 0.237 1.00 0.00 C ATOM 712 O GLU A 45 -9.038 9.208 -0.498 1.00 0.00 O ATOM 713 CB GLU A 45 -10.098 12.130 0.730 1.00 0.00 C ATOM 714 CG GLU A 45 -11.257 12.720 1.538 1.00 0.00 C ATOM 715 CD GLU A 45 -12.551 11.980 1.195 1.00 0.00 C ATOM 716 OE1 GLU A 45 -13.038 12.157 0.091 1.00 0.00 O ATOM 717 OE2 GLU A 45 -13.033 11.247 2.043 1.00 0.00 O ATOM 0 H GLU A 45 -9.561 11.727 3.043 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.627 9.994 1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.210 12.752 0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.349 12.124 -0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.050 12.636 2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.364 13.782 1.317 1.00 0.00 H new ATOM 724 N GLU A 46 -7.593 10.683 0.229 1.00 0.00 N ATOM 725 CA GLU A 46 -6.555 10.168 -0.689 1.00 0.00 C ATOM 726 C GLU A 46 -6.370 8.677 -0.447 1.00 0.00 C ATOM 727 O GLU A 46 -5.909 7.958 -1.303 1.00 0.00 O ATOM 728 CB GLU A 46 -5.235 10.902 -0.437 1.00 0.00 C ATOM 729 CG GLU A 46 -5.485 12.420 -0.319 1.00 0.00 C ATOM 730 CD GLU A 46 -5.812 12.790 1.133 1.00 0.00 C ATOM 731 OE1 GLU A 46 -6.955 12.623 1.524 1.00 0.00 O ATOM 732 OE2 GLU A 46 -4.913 13.234 1.826 1.00 0.00 O ATOM 0 H GLU A 46 -7.306 11.464 0.819 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.863 10.334 -1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.772 10.530 0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.538 10.703 -1.251 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.604 12.968 -0.652 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.308 12.712 -0.971 1.00 0.00 H new ATOM 739 N CYS A 47 -6.739 8.201 0.703 1.00 0.00 N ATOM 740 CA CYS A 47 -6.591 6.747 0.973 1.00 0.00 C ATOM 741 C CYS A 47 -7.741 6.007 0.296 1.00 0.00 C ATOM 742 O CYS A 47 -7.551 4.980 -0.323 1.00 0.00 O ATOM 743 CB CYS A 47 -6.607 6.514 2.499 1.00 0.00 C ATOM 744 SG CYS A 47 -8.265 6.047 3.078 1.00 0.00 S ATOM 0 H CYS A 47 -7.135 8.751 1.466 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.647 6.373 0.576 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.895 5.730 2.757 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.282 7.420 3.011 1.00 0.00 H new ATOM 749 N GLN A 48 -8.929 6.513 0.410 1.00 0.00 N ATOM 750 CA GLN A 48 -10.077 5.822 -0.228 1.00 0.00 C ATOM 751 C GLN A 48 -9.768 5.591 -1.703 1.00 0.00 C ATOM 752 O GLN A 48 -10.072 4.553 -2.256 1.00 0.00 O ATOM 753 CB GLN A 48 -11.338 6.683 -0.103 1.00 0.00 C ATOM 754 CG GLN A 48 -11.817 6.678 1.347 1.00 0.00 C ATOM 755 CD GLN A 48 -12.995 7.643 1.499 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.261 8.130 2.580 1.00 0.00 O ATOM 757 NE2 GLN A 48 -13.717 7.942 0.454 1.00 0.00 N ATOM 0 H GLN A 48 -9.157 7.370 0.914 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.244 4.867 0.269 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.128 7.703 -0.424 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.120 6.298 -0.757 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.118 5.672 1.638 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -11.004 6.972 2.011 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -13.494 7.534 -0.454 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.504 8.584 0.545 1.00 0.00 H new ATOM 766 N GLU A 49 -9.183 6.559 -2.352 1.00 0.00 N ATOM 767 CA GLU A 49 -8.875 6.404 -3.797 1.00 0.00 C ATOM 768 C GLU A 49 -7.775 5.355 -4.012 1.00 0.00 C ATOM 769 O GLU A 49 -7.842 4.560 -4.927 1.00 0.00 O ATOM 770 CB GLU A 49 -8.418 7.750 -4.364 1.00 0.00 C ATOM 771 CG GLU A 49 -9.596 8.725 -4.375 1.00 0.00 C ATOM 772 CD GLU A 49 -10.606 8.295 -5.441 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.355 8.554 -6.605 1.00 0.00 O ATOM 774 OE2 GLU A 49 -11.614 7.713 -5.073 1.00 0.00 O ATOM 0 H GLU A 49 -8.905 7.451 -1.942 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.775 6.069 -4.312 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.604 8.153 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.031 7.619 -5.375 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.073 8.747 -3.395 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.243 9.736 -4.580 1.00 0.00 H new ATOM 781 N VAL A 50 -6.760 5.340 -3.181 1.00 0.00 N ATOM 782 CA VAL A 50 -5.679 4.327 -3.368 1.00 0.00 C ATOM 783 C VAL A 50 -6.221 2.943 -3.029 1.00 0.00 C ATOM 784 O VAL A 50 -6.060 2.001 -3.779 1.00 0.00 O ATOM 785 CB VAL A 50 -4.480 4.614 -2.449 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.352 3.627 -2.765 1.00 0.00 C ATOM 787 CG2 VAL A 50 -3.975 6.052 -2.665 1.00 0.00 C ATOM 0 H VAL A 50 -6.636 5.976 -2.393 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.350 4.374 -4.406 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.793 4.501 -1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.500 3.828 -2.115 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.703 2.608 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.049 3.742 -3.806 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.126 6.242 -2.008 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.666 6.177 -3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.775 6.757 -2.437 1.00 0.00 H new ATOM 797 N VAL A 51 -6.830 2.797 -1.881 1.00 0.00 N ATOM 798 CA VAL A 51 -7.332 1.459 -1.478 1.00 0.00 C ATOM 799 C VAL A 51 -8.365 0.946 -2.493 1.00 0.00 C ATOM 800 O VAL A 51 -8.278 -0.162 -2.983 1.00 0.00 O ATOM 801 CB VAL A 51 -7.893 1.534 -0.050 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.284 0.144 0.438 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.832 2.118 0.891 1.00 0.00 C ATOM 0 H VAL A 51 -6.999 3.546 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.514 0.739 -1.475 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.776 2.174 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.680 0.212 1.451 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.045 -0.272 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.407 -0.503 0.434 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.233 2.170 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.948 1.480 0.883 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.560 3.119 0.556 1.00 0.00 H new ATOM 813 N ASP A 52 -9.381 1.727 -2.751 1.00 0.00 N ATOM 814 CA ASP A 52 -10.479 1.289 -3.666 1.00 0.00 C ATOM 815 C ASP A 52 -9.983 1.013 -5.093 1.00 0.00 C ATOM 816 O ASP A 52 -10.383 0.056 -5.727 1.00 0.00 O ATOM 817 CB ASP A 52 -11.567 2.387 -3.689 1.00 0.00 C ATOM 818 CG ASP A 52 -11.237 3.471 -4.722 1.00 0.00 C ATOM 819 OD1 ASP A 52 -10.092 3.873 -4.778 1.00 0.00 O ATOM 820 OD2 ASP A 52 -12.139 3.875 -5.437 1.00 0.00 O ATOM 0 H ASP A 52 -9.499 2.662 -2.362 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.882 0.350 -3.287 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.534 1.940 -3.922 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.654 2.837 -2.700 1.00 0.00 H new ATOM 825 N THR A 53 -9.144 1.865 -5.609 1.00 0.00 N ATOM 826 CA THR A 53 -8.649 1.687 -7.003 1.00 0.00 C ATOM 827 C THR A 53 -7.427 0.778 -7.041 1.00 0.00 C ATOM 828 O THR A 53 -7.281 -0.013 -7.952 1.00 0.00 O ATOM 829 CB THR A 53 -8.281 3.055 -7.581 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.409 3.915 -7.511 1.00 0.00 O ATOM 831 CG2 THR A 53 -7.847 2.897 -9.039 1.00 0.00 C ATOM 0 H THR A 53 -8.777 2.683 -5.122 1.00 0.00 H new ATOM 0 HA THR A 53 -9.438 1.224 -7.595 1.00 0.00 H new ATOM 0 HB THR A 53 -7.460 3.483 -7.006 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.628 4.092 -6.572 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.585 3.873 -9.449 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.981 2.237 -9.091 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.665 2.468 -9.618 1.00 0.00 H new ATOM 839 N TYR A 54 -6.531 0.891 -6.093 1.00 0.00 N ATOM 840 CA TYR A 54 -5.300 0.039 -6.123 1.00 0.00 C ATOM 841 C TYR A 54 -5.298 -1.011 -5.007 1.00 0.00 C ATOM 842 O TYR A 54 -4.267 -1.387 -4.490 1.00 0.00 O ATOM 843 CB TYR A 54 -4.074 0.933 -5.986 1.00 0.00 C ATOM 844 CG TYR A 54 -3.959 1.817 -7.205 1.00 0.00 C ATOM 845 CD1 TYR A 54 -4.628 3.041 -7.239 1.00 0.00 C ATOM 846 CD2 TYR A 54 -3.179 1.418 -8.298 1.00 0.00 C ATOM 847 CE1 TYR A 54 -4.525 3.872 -8.356 1.00 0.00 C ATOM 848 CE2 TYR A 54 -3.074 2.247 -9.421 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.747 3.476 -9.451 1.00 0.00 C ATOM 850 OH TYR A 54 -3.644 4.295 -10.557 1.00 0.00 O ATOM 0 H TYR A 54 -6.597 1.533 -5.303 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.282 -0.494 -7.073 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.154 1.544 -5.087 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.176 0.324 -5.879 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.229 3.347 -6.396 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.659 0.472 -8.274 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.044 4.819 -8.376 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.474 1.939 -10.265 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.066 3.871 -11.225 1.00 0.00 H new ATOM 860 N GLY A 55 -6.459 -1.454 -4.604 1.00 0.00 N ATOM 861 CA GLY A 55 -6.547 -2.441 -3.492 1.00 0.00 C ATOM 862 C GLY A 55 -6.271 -3.866 -3.974 1.00 0.00 C ATOM 863 O GLY A 55 -5.454 -4.564 -3.408 1.00 0.00 O ATOM 0 H GLY A 55 -7.355 -1.172 -5.001 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.832 -2.176 -2.713 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.539 -2.395 -3.043 1.00 0.00 H new ATOM 867 N SER A 56 -6.954 -4.327 -4.988 1.00 0.00 N ATOM 868 CA SER A 56 -6.714 -5.724 -5.439 1.00 0.00 C ATOM 869 C SER A 56 -5.333 -5.842 -6.063 1.00 0.00 C ATOM 870 O SER A 56 -4.728 -6.896 -6.077 1.00 0.00 O ATOM 871 CB SER A 56 -7.761 -6.145 -6.468 1.00 0.00 C ATOM 872 OG SER A 56 -9.023 -5.596 -6.113 1.00 0.00 O ATOM 0 H SER A 56 -7.655 -3.806 -5.514 1.00 0.00 H new ATOM 0 HA SER A 56 -6.783 -6.377 -4.569 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.469 -5.801 -7.460 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.825 -7.232 -6.513 1.00 0.00 H new ATOM 0 HG SER A 56 -9.694 -5.865 -6.774 1.00 0.00 H new ATOM 878 N SER A 57 -4.862 -4.776 -6.652 1.00 0.00 N ATOM 879 CA SER A 57 -3.557 -4.849 -7.357 1.00 0.00 C ATOM 880 C SER A 57 -2.392 -4.861 -6.371 1.00 0.00 C ATOM 881 O SER A 57 -1.522 -5.701 -6.449 1.00 0.00 O ATOM 882 CB SER A 57 -3.415 -3.689 -8.343 1.00 0.00 C ATOM 883 OG SER A 57 -3.335 -2.467 -7.622 1.00 0.00 O ATOM 0 H SER A 57 -5.322 -3.866 -6.674 1.00 0.00 H new ATOM 0 HA SER A 57 -3.531 -5.785 -7.914 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.522 -3.823 -8.954 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.267 -3.668 -9.023 1.00 0.00 H new ATOM 0 HG SER A 57 -3.242 -1.721 -8.251 1.00 0.00 H new ATOM 889 N ILE A 58 -2.392 -3.979 -5.408 1.00 0.00 N ATOM 890 CA ILE A 58 -1.301 -3.992 -4.397 1.00 0.00 C ATOM 891 C ILE A 58 -1.257 -5.376 -3.769 1.00 0.00 C ATOM 892 O ILE A 58 -0.241 -6.040 -3.713 1.00 0.00 O ATOM 893 CB ILE A 58 -1.603 -2.966 -3.291 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.407 -1.546 -3.840 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.652 -3.194 -2.099 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.907 -0.522 -2.815 1.00 0.00 C ATOM 0 H ILE A 58 -3.098 -3.254 -5.280 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.352 -3.745 -4.873 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.634 -3.087 -2.958 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.353 -1.372 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.950 -1.430 -4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.868 -2.466 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.795 -4.201 -1.707 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.380 -3.076 -2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.766 0.485 -3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.966 -0.690 -2.619 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.345 -0.631 -1.888 1.00 0.00 H new ATOM 908 N LEU A 59 -2.388 -5.782 -3.280 1.00 0.00 N ATOM 909 CA LEU A 59 -2.514 -7.094 -2.616 1.00 0.00 C ATOM 910 C LEU A 59 -2.157 -8.204 -3.601 1.00 0.00 C ATOM 911 O LEU A 59 -1.778 -9.283 -3.201 1.00 0.00 O ATOM 912 CB LEU A 59 -3.962 -7.252 -2.134 1.00 0.00 C ATOM 913 CG LEU A 59 -4.201 -8.663 -1.573 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.159 -8.977 -0.487 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.616 -8.749 -0.966 1.00 0.00 C ATOM 0 H LEU A 59 -3.252 -5.241 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.834 -7.158 -1.766 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.177 -6.509 -1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.647 -7.064 -2.960 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.108 -9.387 -2.382 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.334 -9.978 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.159 -8.926 -0.917 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.245 -8.250 0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.782 -9.751 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.712 -8.020 -0.161 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.356 -8.537 -1.737 1.00 0.00 H new ATOM 927 N SER A 60 -2.295 -7.990 -4.885 1.00 0.00 N ATOM 928 CA SER A 60 -1.975 -9.107 -5.824 1.00 0.00 C ATOM 929 C SER A 60 -0.460 -9.178 -6.042 1.00 0.00 C ATOM 930 O SER A 60 0.116 -10.238 -6.188 1.00 0.00 O ATOM 931 CB SER A 60 -2.681 -8.865 -7.153 1.00 0.00 C ATOM 932 OG SER A 60 -2.193 -9.781 -8.123 1.00 0.00 O ATOM 0 H SER A 60 -2.606 -7.118 -5.314 1.00 0.00 H new ATOM 0 HA SER A 60 -2.317 -10.051 -5.401 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.758 -8.986 -7.032 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.511 -7.841 -7.486 1.00 0.00 H new ATOM 0 HG SER A 60 -2.648 -9.626 -8.977 1.00 0.00 H new ATOM 938 N ILE A 61 0.182 -8.035 -6.069 1.00 0.00 N ATOM 939 CA ILE A 61 1.660 -7.990 -6.281 1.00 0.00 C ATOM 940 C ILE A 61 2.388 -8.558 -5.062 1.00 0.00 C ATOM 941 O ILE A 61 3.302 -9.351 -5.183 1.00 0.00 O ATOM 942 CB ILE A 61 2.099 -6.527 -6.471 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.160 -5.807 -7.497 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.569 -6.503 -6.920 1.00 0.00 C ATOM 945 CD1 ILE A 61 1.948 -5.132 -8.631 1.00 0.00 C ATOM 0 H ILE A 61 -0.261 -7.124 -5.952 1.00 0.00 H new ATOM 0 HA ILE A 61 1.906 -8.583 -7.162 1.00 0.00 H new ATOM 0 HB ILE A 61 2.017 -5.984 -5.529 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.465 -6.532 -7.921 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.562 -5.059 -6.977 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.891 -5.471 -7.058 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.189 -6.978 -6.160 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.671 -7.043 -7.861 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.254 -4.646 -9.317 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.624 -4.387 -8.211 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.525 -5.883 -9.170 1.00 0.00 H new ATOM 957 N LEU A 62 2.012 -8.126 -3.892 1.00 0.00 N ATOM 958 CA LEU A 62 2.699 -8.601 -2.663 1.00 0.00 C ATOM 959 C LEU A 62 2.693 -10.134 -2.633 1.00 0.00 C ATOM 960 O LEU A 62 3.627 -10.759 -2.172 1.00 0.00 O ATOM 961 CB LEU A 62 1.962 -8.015 -1.438 1.00 0.00 C ATOM 962 CG LEU A 62 2.834 -6.955 -0.740 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.952 -6.030 0.110 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.873 -7.662 0.141 1.00 0.00 C ATOM 0 H LEU A 62 1.255 -7.461 -3.735 1.00 0.00 H new ATOM 0 HA LEU A 62 3.737 -8.270 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.019 -7.568 -1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.718 -8.813 -0.737 1.00 0.00 H new ATOM 0 HG LEU A 62 3.348 -6.350 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.576 -5.283 0.601 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.224 -5.532 -0.530 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.429 -6.618 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.495 -6.918 0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.363 -8.268 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.500 -8.303 -0.479 1.00 0.00 H new ATOM 976 N LEU A 63 1.649 -10.740 -3.119 1.00 0.00 N ATOM 977 CA LEU A 63 1.588 -12.226 -3.116 1.00 0.00 C ATOM 978 C LEU A 63 2.537 -12.790 -4.171 1.00 0.00 C ATOM 979 O LEU A 63 2.856 -13.963 -4.160 1.00 0.00 O ATOM 980 CB LEU A 63 0.153 -12.687 -3.379 1.00 0.00 C ATOM 981 CG LEU A 63 -0.763 -12.167 -2.264 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.212 -12.563 -2.574 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.336 -12.760 -0.908 1.00 0.00 C ATOM 0 H LEU A 63 0.836 -10.271 -3.518 1.00 0.00 H new ATOM 0 HA LEU A 63 1.899 -12.597 -2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.188 -12.317 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.111 -13.775 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.685 -11.081 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.867 -12.195 -1.784 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.513 -12.127 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.288 -13.649 -2.632 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.993 -12.384 -0.124 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.404 -13.847 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.692 -12.469 -0.691 1.00 0.00 H new ATOM 995 N GLU A 64 3.007 -11.976 -5.081 1.00 0.00 N ATOM 996 CA GLU A 64 3.946 -12.494 -6.118 1.00 0.00 C ATOM 997 C GLU A 64 5.369 -12.422 -5.557 1.00 0.00 C ATOM 998 O GLU A 64 6.336 -12.283 -6.279 1.00 0.00 O ATOM 999 CB GLU A 64 3.831 -11.664 -7.400 1.00 0.00 C ATOM 1000 CG GLU A 64 2.580 -12.076 -8.177 1.00 0.00 C ATOM 1001 CD GLU A 64 2.559 -11.364 -9.530 1.00 0.00 C ATOM 1002 OE1 GLU A 64 2.886 -10.190 -9.563 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.218 -12.006 -10.510 1.00 0.00 O ATOM 0 H GLU A 64 2.783 -10.983 -5.150 1.00 0.00 H new ATOM 0 HA GLU A 64 3.698 -13.526 -6.365 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.784 -10.603 -7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.717 -11.809 -8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.570 -13.156 -8.323 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.686 -11.823 -7.607 1.00 0.00 H new ATOM 1010 N GLU A 65 5.485 -12.569 -4.265 1.00 0.00 N ATOM 1011 CA GLU A 65 6.828 -12.572 -3.619 1.00 0.00 C ATOM 1012 C GLU A 65 7.685 -11.388 -4.079 1.00 0.00 C ATOM 1013 O GLU A 65 8.897 -11.470 -4.137 1.00 0.00 O ATOM 1014 CB GLU A 65 7.542 -13.855 -4.047 1.00 0.00 C ATOM 1015 CG GLU A 65 6.773 -15.069 -3.522 1.00 0.00 C ATOM 1016 CD GLU A 65 6.946 -15.165 -2.005 1.00 0.00 C ATOM 1017 OE1 GLU A 65 8.063 -14.999 -1.544 1.00 0.00 O ATOM 1018 OE2 GLU A 65 5.959 -15.406 -1.330 1.00 0.00 O ATOM 0 H GLU A 65 4.700 -12.688 -3.625 1.00 0.00 H new ATOM 0 HA GLU A 65 6.695 -12.504 -2.539 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.613 -13.899 -5.134 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.561 -13.862 -3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.716 -14.980 -3.773 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.139 -15.979 -3.999 1.00 0.00 H new ATOM 1025 N VAL A 66 7.063 -10.277 -4.380 1.00 0.00 N ATOM 1026 CA VAL A 66 7.829 -9.062 -4.809 1.00 0.00 C ATOM 1027 C VAL A 66 8.127 -8.210 -3.560 1.00 0.00 C ATOM 1028 O VAL A 66 7.334 -8.142 -2.641 1.00 0.00 O ATOM 1029 CB VAL A 66 6.966 -8.273 -5.823 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.268 -6.769 -5.760 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.253 -8.777 -7.244 1.00 0.00 C ATOM 0 H VAL A 66 6.051 -10.156 -4.348 1.00 0.00 H new ATOM 0 HA VAL A 66 8.771 -9.334 -5.284 1.00 0.00 H new ATOM 0 HB VAL A 66 5.918 -8.430 -5.567 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.646 -6.242 -6.484 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.054 -6.396 -4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.319 -6.599 -5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.645 -8.221 -7.957 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.308 -8.631 -7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.010 -9.838 -7.310 1.00 0.00 H new ATOM 1041 N SER A 67 9.267 -7.563 -3.524 1.00 0.00 N ATOM 1042 CA SER A 67 9.616 -6.719 -2.338 1.00 0.00 C ATOM 1043 C SER A 67 8.472 -5.713 -2.077 1.00 0.00 C ATOM 1044 O SER A 67 7.795 -5.324 -3.008 1.00 0.00 O ATOM 1045 CB SER A 67 10.926 -5.966 -2.620 1.00 0.00 C ATOM 1046 OG SER A 67 11.757 -6.769 -3.449 1.00 0.00 O ATOM 0 H SER A 67 9.970 -7.583 -4.263 1.00 0.00 H new ATOM 0 HA SER A 67 9.748 -7.348 -1.458 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.715 -5.015 -3.109 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.437 -5.738 -1.685 1.00 0.00 H new ATOM 0 HG SER A 67 12.593 -6.293 -3.633 1.00 0.00 H new ATOM 1052 N PRO A 68 8.269 -5.316 -0.832 1.00 0.00 N ATOM 1053 CA PRO A 68 7.187 -4.364 -0.497 1.00 0.00 C ATOM 1054 C PRO A 68 7.440 -2.970 -1.108 1.00 0.00 C ATOM 1055 O PRO A 68 6.525 -2.304 -1.542 1.00 0.00 O ATOM 1056 CB PRO A 68 7.208 -4.276 1.050 1.00 0.00 C ATOM 1057 CG PRO A 68 8.497 -4.990 1.535 1.00 0.00 C ATOM 1058 CD PRO A 68 9.066 -5.771 0.335 1.00 0.00 C ATOM 0 HA PRO A 68 6.228 -4.698 -0.894 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.199 -3.236 1.376 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.323 -4.751 1.474 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.224 -4.265 1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.275 -5.664 2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.126 -5.561 0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.971 -6.847 0.483 1.00 0.00 H new ATOM 1066 N GLU A 69 8.658 -2.506 -1.097 1.00 0.00 N ATOM 1067 CA GLU A 69 8.945 -1.138 -1.628 1.00 0.00 C ATOM 1068 C GLU A 69 8.894 -1.124 -3.163 1.00 0.00 C ATOM 1069 O GLU A 69 8.702 -0.087 -3.786 1.00 0.00 O ATOM 1070 CB GLU A 69 10.334 -0.713 -1.133 1.00 0.00 C ATOM 1071 CG GLU A 69 10.848 0.503 -1.914 1.00 0.00 C ATOM 1072 CD GLU A 69 9.761 1.578 -1.982 1.00 0.00 C ATOM 1073 OE1 GLU A 69 9.228 1.919 -0.939 1.00 0.00 O ATOM 1074 OE2 GLU A 69 9.479 2.041 -3.075 1.00 0.00 O ATOM 0 H GLU A 69 9.470 -3.013 -0.744 1.00 0.00 H new ATOM 0 HA GLU A 69 8.189 -0.439 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.288 -0.474 -0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.033 -1.542 -1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.739 0.905 -1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.138 0.203 -2.921 1.00 0.00 H new ATOM 1081 N LEU A 70 9.039 -2.255 -3.787 1.00 0.00 N ATOM 1082 CA LEU A 70 8.981 -2.260 -5.271 1.00 0.00 C ATOM 1083 C LEU A 70 7.529 -1.992 -5.685 1.00 0.00 C ATOM 1084 O LEU A 70 7.240 -1.688 -6.825 1.00 0.00 O ATOM 1085 CB LEU A 70 9.497 -3.598 -5.826 1.00 0.00 C ATOM 1086 CG LEU A 70 11.025 -3.674 -5.685 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.497 -5.113 -5.946 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.724 -2.721 -6.675 1.00 0.00 C ATOM 0 H LEU A 70 9.192 -3.161 -3.344 1.00 0.00 H new ATOM 0 HA LEU A 70 9.624 -1.483 -5.685 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.033 -4.426 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.215 -3.699 -6.874 1.00 0.00 H new ATOM 0 HG LEU A 70 11.288 -3.372 -4.671 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.581 -5.164 -5.845 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.033 -5.785 -5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.212 -5.412 -6.955 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.804 -2.797 -6.552 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.455 -2.995 -7.695 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.407 -1.697 -6.479 1.00 0.00 H new ATOM 1100 N VAL A 71 6.610 -2.128 -4.759 1.00 0.00 N ATOM 1101 CA VAL A 71 5.173 -1.906 -5.097 1.00 0.00 C ATOM 1102 C VAL A 71 4.932 -0.443 -5.480 1.00 0.00 C ATOM 1103 O VAL A 71 4.379 -0.167 -6.522 1.00 0.00 O ATOM 1104 CB VAL A 71 4.268 -2.310 -3.906 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.876 -1.636 -3.990 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.099 -3.831 -3.892 1.00 0.00 C ATOM 0 H VAL A 71 6.794 -2.382 -3.788 1.00 0.00 H new ATOM 0 HA VAL A 71 4.919 -2.533 -5.952 1.00 0.00 H new ATOM 0 HB VAL A 71 4.748 -1.974 -2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.271 -1.944 -3.138 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.995 -0.553 -3.978 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.381 -1.936 -4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.463 -4.119 -3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.639 -4.155 -4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.075 -4.305 -3.785 1.00 0.00 H new ATOM 1116 N CYS A 72 5.288 0.505 -4.660 1.00 0.00 N ATOM 1117 CA CYS A 72 4.985 1.912 -5.043 1.00 0.00 C ATOM 1118 C CYS A 72 5.801 2.322 -6.281 1.00 0.00 C ATOM 1119 O CYS A 72 5.392 3.167 -7.052 1.00 0.00 O ATOM 1120 CB CYS A 72 5.286 2.855 -3.859 1.00 0.00 C ATOM 1121 SG CYS A 72 4.021 4.142 -3.759 1.00 0.00 S ATOM 0 H CYS A 72 5.762 0.375 -3.766 1.00 0.00 H new ATOM 0 HA CYS A 72 3.927 1.989 -5.293 1.00 0.00 H new ATOM 0 HB2 CYS A 72 5.314 2.287 -2.929 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.269 3.308 -3.985 1.00 0.00 H new ATOM 1126 N SER A 73 6.948 1.721 -6.481 1.00 0.00 N ATOM 1127 CA SER A 73 7.769 2.081 -7.682 1.00 0.00 C ATOM 1128 C SER A 73 7.192 1.438 -8.965 1.00 0.00 C ATOM 1129 O SER A 73 7.184 2.052 -10.013 1.00 0.00 O ATOM 1130 CB SER A 73 9.215 1.628 -7.480 1.00 0.00 C ATOM 1131 OG SER A 73 10.064 2.368 -8.348 1.00 0.00 O ATOM 0 H SER A 73 7.349 1.006 -5.874 1.00 0.00 H new ATOM 0 HA SER A 73 7.741 3.164 -7.800 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.514 1.780 -6.443 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.306 0.561 -7.685 1.00 0.00 H new ATOM 0 HG SER A 73 10.992 2.081 -8.220 1.00 0.00 H new ATOM 1137 N MET A 74 6.712 0.219 -8.907 1.00 0.00 N ATOM 1138 CA MET A 74 6.147 -0.429 -10.144 1.00 0.00 C ATOM 1139 C MET A 74 4.783 0.189 -10.511 1.00 0.00 C ATOM 1140 O MET A 74 4.495 0.401 -11.672 1.00 0.00 O ATOM 1141 CB MET A 74 5.970 -1.957 -9.904 1.00 0.00 C ATOM 1142 CG MET A 74 7.147 -2.764 -10.487 1.00 0.00 C ATOM 1143 SD MET A 74 6.657 -4.499 -10.691 1.00 0.00 S ATOM 1144 CE MET A 74 5.812 -4.732 -9.104 1.00 0.00 C ATOM 0 H MET A 74 6.685 -0.356 -8.065 1.00 0.00 H new ATOM 0 HA MET A 74 6.842 -0.261 -10.966 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.890 -2.151 -8.834 1.00 0.00 H new ATOM 0 HB3 MET A 74 5.038 -2.292 -10.359 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.447 -2.345 -11.448 1.00 0.00 H new ATOM 0 HG3 MET A 74 8.011 -2.695 -9.826 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.781 -5.794 -8.861 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.351 -4.196 -8.323 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.795 -4.346 -9.173 1.00 0.00 H new ATOM 1154 N LEU A 75 3.936 0.467 -9.558 1.00 0.00 N ATOM 1155 CA LEU A 75 2.605 1.048 -9.911 1.00 0.00 C ATOM 1156 C LEU A 75 2.766 2.510 -10.349 1.00 0.00 C ATOM 1157 O LEU A 75 1.810 3.256 -10.419 1.00 0.00 O ATOM 1158 CB LEU A 75 1.664 0.963 -8.701 1.00 0.00 C ATOM 1159 CG LEU A 75 1.572 -0.486 -8.184 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.477 -0.589 -7.117 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.247 -1.449 -9.336 1.00 0.00 C ATOM 0 H LEU A 75 4.102 0.320 -8.562 1.00 0.00 H new ATOM 0 HA LEU A 75 2.177 0.480 -10.737 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.025 1.616 -7.906 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.672 1.319 -8.980 1.00 0.00 H new ATOM 0 HG LEU A 75 2.535 -0.759 -7.752 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.417 -1.616 -6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.715 0.075 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.481 -0.300 -7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.186 -2.468 -8.953 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.293 -1.172 -9.784 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.032 -1.392 -10.090 1.00 0.00 H new ATOM 1173 N HIS A 76 3.968 2.920 -10.652 1.00 0.00 N ATOM 1174 CA HIS A 76 4.200 4.329 -11.096 1.00 0.00 C ATOM 1175 C HIS A 76 3.538 5.304 -10.116 1.00 0.00 C ATOM 1176 O HIS A 76 3.209 6.414 -10.482 1.00 0.00 O ATOM 1177 CB HIS A 76 3.618 4.529 -12.499 1.00 0.00 C ATOM 1178 CG HIS A 76 4.349 3.646 -13.473 1.00 0.00 C ATOM 1179 ND1 HIS A 76 5.594 3.981 -13.984 1.00 0.00 N ATOM 1180 CD2 HIS A 76 4.024 2.438 -14.040 1.00 0.00 C ATOM 1181 CE1 HIS A 76 5.969 2.993 -14.816 1.00 0.00 C ATOM 1182 NE2 HIS A 76 5.049 2.027 -14.887 1.00 0.00 N ATOM 0 H HIS A 76 4.805 2.338 -10.612 1.00 0.00 H new ATOM 0 HA HIS A 76 5.272 4.524 -11.119 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.555 4.290 -12.501 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.710 5.573 -12.798 1.00 0.00 H new ATOM 0 HD2 HIS A 76 3.112 1.890 -13.856 1.00 0.00 H new ATOM 0 HE1 HIS A 76 6.901 2.982 -15.361 1.00 0.00 H new ATOM 0 HE2 HIS A 76 5.089 1.172 -15.442 1.00 0.00 H new ATOM 1190 N LEU A 77 3.330 4.928 -8.883 1.00 0.00 N ATOM 1191 CA LEU A 77 2.680 5.879 -7.932 1.00 0.00 C ATOM 1192 C LEU A 77 3.738 6.784 -7.300 1.00 0.00 C ATOM 1193 O LEU A 77 3.404 7.769 -6.669 1.00 0.00 O ATOM 1194 CB LEU A 77 1.934 5.108 -6.821 1.00 0.00 C ATOM 1195 CG LEU A 77 0.594 4.515 -7.312 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.174 3.982 -6.100 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.281 5.574 -8.020 1.00 0.00 C ATOM 0 H LEU A 77 3.577 4.017 -8.496 1.00 0.00 H new ATOM 0 HA LEU A 77 1.962 6.485 -8.485 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.570 4.304 -6.451 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.746 5.777 -5.982 1.00 0.00 H new ATOM 0 HG LEU A 77 0.815 3.723 -8.028 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.124 3.559 -6.428 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.416 3.210 -5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.362 4.797 -5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.213 5.115 -8.349 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.501 6.386 -7.327 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.254 5.969 -8.884 1.00 0.00 H new ATOM 1209 N CYS A 78 5.007 6.480 -7.465 1.00 0.00 N ATOM 1210 CA CYS A 78 6.074 7.356 -6.873 1.00 0.00 C ATOM 1211 C CYS A 78 7.078 7.759 -7.957 1.00 0.00 C ATOM 1212 O CYS A 78 7.228 7.144 -8.995 1.00 0.00 O ATOM 1213 CB CYS A 78 6.807 6.618 -5.750 1.00 0.00 C ATOM 1214 SG CYS A 78 5.756 6.540 -4.282 1.00 0.00 S ATOM 0 H CYS A 78 5.348 5.669 -7.980 1.00 0.00 H new ATOM 0 HA CYS A 78 5.602 8.249 -6.463 1.00 0.00 H new ATOM 0 HB2 CYS A 78 7.069 5.611 -6.075 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.740 7.130 -5.514 1.00 0.00 H new