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 Single : A 4 TYR OH : rot 21:sc= 0.227 USER MOD Single : A 13 LYS NZ :NH3+ -150:sc= -0.378 (180deg=-1.44!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0767 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -3.17! C(o=-3.2!,f=-4.6!) USER MOD Single : A 22 ASN : amide:sc= -2.21! C(o=-2.2!,f=-2.3!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -160:sc= -0.285 USER MOD Single : A 26 LYS NZ :NH3+ 157:sc= -1.48! (180deg=-2.03) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -162:sc= -0.385 USER MOD Single : A 38 LYS NZ :NH3+ 160:sc= -0.0192 (180deg=-0.537) USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= -0.103 (180deg=-0.55) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -5.71! C(o=-5.7!,f=-4.6!) USER MOD Single : A 53 THR OG1 : rot 90:sc= 0.00737 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0823 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0909 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -1.07 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -163:sc= -0.321 (180deg=-1.43!) USER MOD Single : A 76 HIS : no HE2:sc= -4.16! C(o=-4.2!,f=-8.9!) USER MOD ----------------------------------------------------------------- ATOM 26 N VAL A 3 1.444 13.497 -0.805 1.00 0.00 N ATOM 27 CA VAL A 3 0.684 12.677 0.187 1.00 0.00 C ATOM 28 C VAL A 3 0.313 11.299 -0.384 1.00 0.00 C ATOM 29 O VAL A 3 -0.058 10.410 0.359 1.00 0.00 O ATOM 30 CB VAL A 3 -0.616 13.442 0.572 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.356 14.948 0.520 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.784 13.113 -0.377 1.00 0.00 C ATOM 0 HA VAL A 3 1.315 12.518 1.062 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.893 13.128 1.578 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.266 15.484 0.790 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.438 15.205 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.054 15.230 -0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.670 13.669 -0.070 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.515 13.392 -1.396 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.995 12.044 -0.338 1.00 0.00 H new ATOM 42 N TYR A 4 0.351 11.098 -1.679 1.00 0.00 N ATOM 43 CA TYR A 4 -0.077 9.768 -2.210 1.00 0.00 C ATOM 44 C TYR A 4 0.968 8.697 -1.860 1.00 0.00 C ATOM 45 O TYR A 4 0.646 7.645 -1.347 1.00 0.00 O ATOM 46 CB TYR A 4 -0.324 9.870 -3.719 1.00 0.00 C ATOM 47 CG TYR A 4 -1.744 10.313 -3.996 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.794 9.398 -3.880 1.00 0.00 C ATOM 49 CD2 TYR A 4 -2.007 11.633 -4.386 1.00 0.00 C ATOM 50 CE1 TYR A 4 -4.106 9.796 -4.151 1.00 0.00 C ATOM 51 CE2 TYR A 4 -3.321 12.034 -4.658 1.00 0.00 C ATOM 52 CZ TYR A 4 -4.371 11.114 -4.542 1.00 0.00 C ATOM 53 OH TYR A 4 -5.665 11.508 -4.812 1.00 0.00 O ATOM 0 H TYR A 4 0.652 11.779 -2.376 1.00 0.00 H new ATOM 0 HA TYR A 4 -1.014 9.466 -1.742 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.377 10.578 -4.161 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.140 8.904 -4.189 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.591 8.381 -3.580 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.197 12.341 -4.477 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.915 9.087 -4.059 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.525 13.052 -4.957 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.292 10.888 -4.384 1.00 0.00 H new ATOM 63 N CYS A 5 2.220 8.967 -2.129 1.00 0.00 N ATOM 64 CA CYS A 5 3.286 7.972 -1.803 1.00 0.00 C ATOM 65 C CYS A 5 3.198 7.637 -0.309 1.00 0.00 C ATOM 66 O CYS A 5 3.281 6.487 0.076 1.00 0.00 O ATOM 67 CB CYS A 5 4.668 8.568 -2.098 1.00 0.00 C ATOM 68 SG CYS A 5 5.000 8.458 -3.859 1.00 0.00 S ATOM 0 H CYS A 5 2.550 9.831 -2.559 1.00 0.00 H new ATOM 0 HA CYS A 5 3.146 7.076 -2.407 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.705 9.608 -1.774 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.435 8.032 -1.538 1.00 0.00 H new ATOM 73 N GLU A 6 3.051 8.618 0.535 1.00 0.00 N ATOM 74 CA GLU A 6 2.986 8.329 1.992 1.00 0.00 C ATOM 75 C GLU A 6 1.927 7.261 2.270 1.00 0.00 C ATOM 76 O GLU A 6 2.119 6.393 3.097 1.00 0.00 O ATOM 77 CB GLU A 6 2.642 9.618 2.747 1.00 0.00 C ATOM 78 CG GLU A 6 2.383 9.304 4.223 1.00 0.00 C ATOM 79 CD GLU A 6 2.408 10.600 5.033 1.00 0.00 C ATOM 80 OE1 GLU A 6 3.452 11.232 5.074 1.00 0.00 O ATOM 81 OE2 GLU A 6 1.383 10.941 5.601 1.00 0.00 O ATOM 0 H GLU A 6 2.973 9.603 0.280 1.00 0.00 H new ATOM 0 HA GLU A 6 3.953 7.956 2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 6 3.460 10.332 2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 6 1.761 10.084 2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.418 8.810 4.337 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.140 8.614 4.597 1.00 0.00 H new ATOM 88 N VAL A 7 0.801 7.322 1.615 1.00 0.00 N ATOM 89 CA VAL A 7 -0.258 6.309 1.893 1.00 0.00 C ATOM 90 C VAL A 7 0.093 4.931 1.298 1.00 0.00 C ATOM 91 O VAL A 7 -0.183 3.913 1.903 1.00 0.00 O ATOM 92 CB VAL A 7 -1.614 6.808 1.368 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.699 5.765 1.682 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.969 8.162 2.033 1.00 0.00 C ATOM 0 H VAL A 7 0.569 8.019 0.908 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.324 6.179 2.973 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.556 6.951 0.289 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.661 6.118 1.310 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.447 4.821 1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.759 5.616 2.760 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.931 8.511 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.027 8.032 3.114 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.199 8.896 1.796 1.00 0.00 H new ATOM 104 N CYS A 8 0.693 4.867 0.128 1.00 0.00 N ATOM 105 CA CYS A 8 1.040 3.531 -0.463 1.00 0.00 C ATOM 106 C CYS A 8 1.995 2.792 0.468 1.00 0.00 C ATOM 107 O CYS A 8 1.822 1.619 0.735 1.00 0.00 O ATOM 108 CB CYS A 8 1.691 3.734 -1.840 1.00 0.00 C ATOM 109 SG CYS A 8 2.288 2.149 -2.495 1.00 0.00 S ATOM 0 H CYS A 8 0.955 5.674 -0.438 1.00 0.00 H new ATOM 0 HA CYS A 8 0.134 2.937 -0.583 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.969 4.172 -2.530 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.520 4.437 -1.758 1.00 0.00 H new ATOM 114 N GLU A 9 3.002 3.451 0.976 1.00 0.00 N ATOM 115 CA GLU A 9 3.938 2.749 1.885 1.00 0.00 C ATOM 116 C GLU A 9 3.205 2.429 3.188 1.00 0.00 C ATOM 117 O GLU A 9 3.494 1.440 3.831 1.00 0.00 O ATOM 118 CB GLU A 9 5.154 3.652 2.178 1.00 0.00 C ATOM 119 CG GLU A 9 6.239 3.444 1.115 1.00 0.00 C ATOM 120 CD GLU A 9 7.282 4.558 1.224 1.00 0.00 C ATOM 121 OE1 GLU A 9 6.910 5.657 1.605 1.00 0.00 O ATOM 122 OE2 GLU A 9 8.435 4.294 0.926 1.00 0.00 O ATOM 0 H GLU A 9 3.211 4.434 0.801 1.00 0.00 H new ATOM 0 HA GLU A 9 4.288 1.827 1.420 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.845 4.697 2.192 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.555 3.425 3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.714 2.472 1.250 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.793 3.445 0.120 1.00 0.00 H new ATOM 129 N PHE A 10 2.250 3.231 3.592 1.00 0.00 N ATOM 130 CA PHE A 10 1.535 2.899 4.851 1.00 0.00 C ATOM 131 C PHE A 10 0.691 1.637 4.640 1.00 0.00 C ATOM 132 O PHE A 10 0.716 0.725 5.443 1.00 0.00 O ATOM 133 CB PHE A 10 0.625 4.046 5.282 1.00 0.00 C ATOM 134 CG PHE A 10 -0.022 3.659 6.588 1.00 0.00 C ATOM 135 CD1 PHE A 10 0.689 3.795 7.785 1.00 0.00 C ATOM 136 CD2 PHE A 10 -1.320 3.135 6.599 1.00 0.00 C ATOM 137 CE1 PHE A 10 0.103 3.410 8.996 1.00 0.00 C ATOM 138 CE2 PHE A 10 -1.910 2.751 7.811 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.197 2.889 9.009 1.00 0.00 C ATOM 0 H PHE A 10 1.944 4.079 3.115 1.00 0.00 H new ATOM 0 HA PHE A 10 2.275 2.730 5.633 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.199 4.965 5.398 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.133 4.237 4.523 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.691 4.198 7.774 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.867 3.027 5.674 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.653 3.515 9.920 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.913 2.349 7.821 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.650 2.593 9.944 1.00 0.00 H new ATOM 149 N LEU A 11 -0.052 1.566 3.563 1.00 0.00 N ATOM 150 CA LEU A 11 -0.880 0.348 3.316 1.00 0.00 C ATOM 151 C LEU A 11 0.048 -0.858 3.170 1.00 0.00 C ATOM 152 O LEU A 11 -0.207 -1.910 3.724 1.00 0.00 O ATOM 153 CB LEU A 11 -1.706 0.500 2.026 1.00 0.00 C ATOM 154 CG LEU A 11 -2.728 1.639 2.173 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.278 2.006 0.790 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.895 1.207 3.078 1.00 0.00 C ATOM 0 H LEU A 11 -0.120 2.293 2.850 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.562 0.211 4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.044 0.704 1.185 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.223 -0.434 1.806 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.231 2.498 2.623 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.003 2.814 0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.460 2.330 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.763 1.135 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.607 2.027 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.393 0.341 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.513 0.947 4.065 1.00 0.00 H new ATOM 168 N VAL A 12 1.122 -0.730 2.438 1.00 0.00 N ATOM 169 CA VAL A 12 2.047 -1.881 2.277 1.00 0.00 C ATOM 170 C VAL A 12 2.577 -2.309 3.657 1.00 0.00 C ATOM 171 O VAL A 12 2.591 -3.475 3.992 1.00 0.00 O ATOM 172 CB VAL A 12 3.212 -1.443 1.362 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.439 -2.339 1.563 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.771 -1.529 -0.103 1.00 0.00 C ATOM 0 H VAL A 12 1.396 0.121 1.947 1.00 0.00 H new ATOM 0 HA VAL A 12 1.530 -2.729 1.828 1.00 0.00 H new ATOM 0 HB VAL A 12 3.480 -0.418 1.620 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.243 -2.007 0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.769 -2.277 2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.179 -3.371 1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.593 -1.220 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.490 -2.555 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.916 -0.873 -0.265 1.00 0.00 H new ATOM 184 N LYS A 13 3.010 -1.363 4.459 1.00 0.00 N ATOM 185 CA LYS A 13 3.542 -1.703 5.816 1.00 0.00 C ATOM 186 C LYS A 13 2.460 -2.428 6.622 1.00 0.00 C ATOM 187 O LYS A 13 2.719 -3.403 7.300 1.00 0.00 O ATOM 188 CB LYS A 13 3.944 -0.406 6.533 1.00 0.00 C ATOM 189 CG LYS A 13 4.247 -0.687 8.013 1.00 0.00 C ATOM 190 CD LYS A 13 4.917 0.541 8.660 1.00 0.00 C ATOM 191 CE LYS A 13 6.434 0.505 8.430 1.00 0.00 C ATOM 192 NZ LYS A 13 6.994 -0.762 8.980 1.00 0.00 N ATOM 0 H LYS A 13 3.017 -0.369 4.230 1.00 0.00 H new ATOM 0 HA LYS A 13 4.412 -2.353 5.722 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.820 0.027 6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.141 0.326 6.452 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.325 -0.928 8.541 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.900 -1.555 8.100 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.500 1.455 8.238 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.705 0.558 9.729 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.652 0.578 7.365 1.00 0.00 H new ATOM 0 HE3 LYS A 13 6.905 1.362 8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.972 -0.602 9.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.418 -1.074 9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.983 -1.495 8.243 1.00 0.00 H new ATOM 206 N GLU A 14 1.256 -1.936 6.568 1.00 0.00 N ATOM 207 CA GLU A 14 0.150 -2.563 7.347 1.00 0.00 C ATOM 208 C GLU A 14 -0.216 -3.909 6.724 1.00 0.00 C ATOM 209 O GLU A 14 -0.534 -4.852 7.420 1.00 0.00 O ATOM 210 CB GLU A 14 -1.074 -1.610 7.339 1.00 0.00 C ATOM 211 CG GLU A 14 -1.335 -1.057 8.749 1.00 0.00 C ATOM 212 CD GLU A 14 -0.178 -0.147 9.163 1.00 0.00 C ATOM 213 OE1 GLU A 14 0.249 0.647 8.342 1.00 0.00 O ATOM 214 OE2 GLU A 14 0.264 -0.261 10.295 1.00 0.00 O ATOM 0 H GLU A 14 0.987 -1.122 6.015 1.00 0.00 H new ATOM 0 HA GLU A 14 0.466 -2.732 8.376 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.897 -0.787 6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.955 -2.143 6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.272 -0.501 8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.438 -1.877 9.459 1.00 0.00 H new ATOM 221 N VAL A 15 -0.193 -4.013 5.430 1.00 0.00 N ATOM 222 CA VAL A 15 -0.567 -5.304 4.803 1.00 0.00 C ATOM 223 C VAL A 15 0.492 -6.375 5.098 1.00 0.00 C ATOM 224 O VAL A 15 0.162 -7.497 5.400 1.00 0.00 O ATOM 225 CB VAL A 15 -0.739 -5.118 3.286 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.642 -6.479 2.569 1.00 0.00 C ATOM 227 CG2 VAL A 15 -2.110 -4.484 3.006 1.00 0.00 C ATOM 0 H VAL A 15 0.066 -3.267 4.784 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.514 -5.639 5.227 1.00 0.00 H new ATOM 0 HB VAL A 15 0.051 -4.467 2.913 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.765 -6.334 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.333 -6.925 2.765 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.425 -7.141 2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.236 -4.350 1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.897 -5.136 3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.171 -3.515 3.502 1.00 0.00 H new ATOM 237 N THR A 16 1.754 -6.076 4.987 1.00 0.00 N ATOM 238 CA THR A 16 2.739 -7.162 5.236 1.00 0.00 C ATOM 239 C THR A 16 2.634 -7.647 6.677 1.00 0.00 C ATOM 240 O THR A 16 2.722 -8.832 6.935 1.00 0.00 O ATOM 241 CB THR A 16 4.177 -6.730 4.968 1.00 0.00 C ATOM 242 OG1 THR A 16 4.696 -6.079 6.119 1.00 0.00 O ATOM 243 CG2 THR A 16 4.272 -5.787 3.759 1.00 0.00 C ATOM 0 H THR A 16 2.137 -5.162 4.744 1.00 0.00 H new ATOM 0 HA THR A 16 2.495 -7.965 4.540 1.00 0.00 H new ATOM 0 HB THR A 16 4.760 -7.623 4.743 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.621 -5.802 5.949 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.312 -5.502 3.601 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.896 -6.295 2.871 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.675 -4.894 3.946 1.00 0.00 H new ATOM 251 N LYS A 17 2.446 -6.777 7.628 1.00 0.00 N ATOM 252 CA LYS A 17 2.344 -7.284 9.019 1.00 0.00 C ATOM 253 C LYS A 17 1.114 -8.190 9.072 1.00 0.00 C ATOM 254 O LYS A 17 1.066 -9.169 9.789 1.00 0.00 O ATOM 255 CB LYS A 17 2.209 -6.115 10.012 1.00 0.00 C ATOM 256 CG LYS A 17 1.546 -6.608 11.317 1.00 0.00 C ATOM 257 CD LYS A 17 1.938 -5.714 12.496 1.00 0.00 C ATOM 258 CE LYS A 17 1.401 -6.336 13.788 1.00 0.00 C ATOM 259 NZ LYS A 17 1.966 -5.612 14.960 1.00 0.00 N ATOM 0 H LYS A 17 2.361 -5.768 7.508 1.00 0.00 H new ATOM 0 HA LYS A 17 3.240 -7.837 9.300 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.191 -5.695 10.229 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.612 -5.317 9.569 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.462 -6.611 11.201 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.848 -7.636 11.518 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.022 -5.612 12.548 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.530 -4.712 12.362 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.312 -6.283 13.805 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.669 -7.391 13.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.601 -6.034 15.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.003 -5.685 14.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.688 -4.611 14.916 1.00 0.00 H new ATOM 273 N LEU A 18 0.125 -7.855 8.293 1.00 0.00 N ATOM 274 CA LEU A 18 -1.117 -8.667 8.250 1.00 0.00 C ATOM 275 C LEU A 18 -0.775 -9.985 7.540 1.00 0.00 C ATOM 276 O LEU A 18 -1.255 -11.042 7.901 1.00 0.00 O ATOM 277 CB LEU A 18 -2.210 -7.895 7.477 1.00 0.00 C ATOM 278 CG LEU A 18 -2.778 -6.639 8.245 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.265 -6.827 8.556 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.060 -6.345 9.576 1.00 0.00 C ATOM 0 H LEU A 18 0.127 -7.042 7.677 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.495 -8.869 9.252 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.801 -7.568 6.521 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.033 -8.575 7.256 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.610 -5.797 7.574 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.639 -5.951 9.086 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.818 -6.952 7.625 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.397 -7.712 9.179 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.507 -5.468 10.044 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.161 -7.203 10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.004 -6.156 9.386 1.00 0.00 H new ATOM 292 N ILE A 19 0.092 -9.928 6.565 1.00 0.00 N ATOM 293 CA ILE A 19 0.522 -11.169 5.859 1.00 0.00 C ATOM 294 C ILE A 19 1.411 -11.946 6.827 1.00 0.00 C ATOM 295 O ILE A 19 1.449 -13.160 6.827 1.00 0.00 O ATOM 296 CB ILE A 19 1.317 -10.801 4.593 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.365 -10.148 3.576 1.00 0.00 C ATOM 298 CG2 ILE A 19 1.936 -12.062 3.980 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.141 -9.684 2.338 1.00 0.00 C ATOM 0 H ILE A 19 0.524 -9.069 6.225 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.338 -11.766 5.556 1.00 0.00 H new ATOM 0 HB ILE A 19 2.115 -10.106 4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.408 -10.859 3.283 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.141 -9.299 4.035 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.497 -11.794 3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.607 -12.526 4.703 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.145 -12.764 3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.453 -9.224 1.628 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.897 -8.956 2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.626 -10.541 1.870 1.00 0.00 H new ATOM 311 N ASP A 20 2.133 -11.234 7.649 1.00 0.00 N ATOM 312 CA ASP A 20 3.039 -11.889 8.629 1.00 0.00 C ATOM 313 C ASP A 20 2.235 -12.470 9.796 1.00 0.00 C ATOM 314 O ASP A 20 2.681 -13.388 10.455 1.00 0.00 O ATOM 315 CB ASP A 20 4.031 -10.856 9.166 1.00 0.00 C ATOM 316 CG ASP A 20 5.124 -11.564 9.967 1.00 0.00 C ATOM 317 OD1 ASP A 20 4.827 -12.026 11.056 1.00 0.00 O ATOM 318 OD2 ASP A 20 6.240 -11.631 9.478 1.00 0.00 O ATOM 0 H ASP A 20 2.132 -10.215 7.682 1.00 0.00 H new ATOM 0 HA ASP A 20 3.573 -12.698 8.130 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.474 -10.299 8.341 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.514 -10.133 9.797 1.00 0.00 H new ATOM 323 N ASN A 21 1.060 -11.945 10.075 1.00 0.00 N ATOM 324 CA ASN A 21 0.266 -12.492 11.225 1.00 0.00 C ATOM 325 C ASN A 21 -0.589 -13.669 10.740 1.00 0.00 C ATOM 326 O ASN A 21 -1.301 -14.276 11.510 1.00 0.00 O ATOM 327 CB ASN A 21 -0.595 -11.398 11.862 1.00 0.00 C ATOM 328 CG ASN A 21 -1.337 -11.969 13.071 1.00 0.00 C ATOM 329 OD1 ASN A 21 -1.043 -13.059 13.522 1.00 0.00 O ATOM 330 ND2 ASN A 21 -2.292 -11.272 13.623 1.00 0.00 N ATOM 0 H ASN A 21 0.624 -11.176 9.566 1.00 0.00 H new ATOM 0 HA ASN A 21 0.949 -12.852 11.995 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.032 -10.561 12.169 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.308 -11.012 11.134 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.791 -11.642 14.432 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.539 -10.357 13.245 1.00 0.00 H new ATOM 337 N ASN A 22 -0.461 -14.035 9.488 1.00 0.00 N ATOM 338 CA ASN A 22 -1.194 -15.236 8.946 1.00 0.00 C ATOM 339 C ASN A 22 -2.676 -14.957 8.643 1.00 0.00 C ATOM 340 O ASN A 22 -3.512 -15.810 8.867 1.00 0.00 O ATOM 341 CB ASN A 22 -1.112 -16.397 9.958 1.00 0.00 C ATOM 342 CG ASN A 22 0.253 -16.384 10.653 1.00 0.00 C ATOM 343 OD1 ASN A 22 0.331 -16.434 11.864 1.00 0.00 O ATOM 344 ND2 ASN A 22 1.337 -16.319 9.930 1.00 0.00 N ATOM 0 H ASN A 22 0.125 -13.552 8.807 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.707 -15.495 8.006 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.908 -16.304 10.697 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.261 -17.348 9.447 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.252 -16.310 10.382 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.270 -16.277 8.913 1.00 0.00 H new ATOM 351 N LYS A 23 -3.024 -13.812 8.126 1.00 0.00 N ATOM 352 CA LYS A 23 -4.469 -13.557 7.809 1.00 0.00 C ATOM 353 C LYS A 23 -4.708 -13.927 6.340 1.00 0.00 C ATOM 354 O LYS A 23 -3.822 -13.843 5.514 1.00 0.00 O ATOM 355 CB LYS A 23 -4.799 -12.083 8.047 1.00 0.00 C ATOM 356 CG LYS A 23 -4.125 -11.569 9.359 1.00 0.00 C ATOM 357 CD LYS A 23 -5.141 -10.860 10.277 1.00 0.00 C ATOM 358 CE LYS A 23 -4.501 -10.592 11.641 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.534 -10.065 12.577 1.00 0.00 N ATOM 0 H LYS A 23 -2.385 -13.047 7.909 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.112 -14.158 8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.458 -11.488 7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.879 -11.953 8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.676 -12.408 9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.317 -10.881 9.109 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.463 -9.922 9.824 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.031 -11.478 10.397 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.068 -11.510 12.039 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.687 -9.874 11.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.101 -9.882 13.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.927 -9.180 12.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.296 -10.765 12.683 1.00 0.00 H new ATOM 373 N THR A 24 -5.908 -14.337 6.016 1.00 0.00 N ATOM 374 CA THR A 24 -6.222 -14.715 4.609 1.00 0.00 C ATOM 375 C THR A 24 -6.457 -13.466 3.757 1.00 0.00 C ATOM 376 O THR A 24 -6.823 -12.425 4.261 1.00 0.00 O ATOM 377 CB THR A 24 -7.491 -15.577 4.573 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.630 -14.733 4.479 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.587 -16.415 5.845 1.00 0.00 C ATOM 0 H THR A 24 -6.686 -14.426 6.670 1.00 0.00 H new ATOM 0 HA THR A 24 -5.376 -15.274 4.209 1.00 0.00 H new ATOM 0 HB THR A 24 -7.450 -16.240 3.709 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.426 -15.225 4.770 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.490 -17.024 5.812 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.714 -17.064 5.920 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.625 -15.756 6.713 1.00 0.00 H new ATOM 387 N GLU A 25 -6.284 -13.571 2.470 1.00 0.00 N ATOM 388 CA GLU A 25 -6.533 -12.387 1.593 1.00 0.00 C ATOM 389 C GLU A 25 -7.941 -11.854 1.928 1.00 0.00 C ATOM 390 O GLU A 25 -8.152 -10.667 2.061 1.00 0.00 O ATOM 391 CB GLU A 25 -6.425 -12.817 0.106 1.00 0.00 C ATOM 392 CG GLU A 25 -5.288 -12.059 -0.588 1.00 0.00 C ATOM 393 CD GLU A 25 -3.968 -12.357 0.126 1.00 0.00 C ATOM 394 OE1 GLU A 25 -3.441 -13.440 -0.074 1.00 0.00 O ATOM 395 OE2 GLU A 25 -3.507 -11.500 0.861 1.00 0.00 O ATOM 0 H GLU A 25 -5.983 -14.418 1.987 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.798 -11.600 1.761 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.246 -13.890 0.043 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.367 -12.620 -0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.223 -12.357 -1.635 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.488 -10.988 -0.573 1.00 0.00 H new ATOM 402 N LYS A 26 -8.894 -12.736 2.070 1.00 0.00 N ATOM 403 CA LYS A 26 -10.292 -12.309 2.400 1.00 0.00 C ATOM 404 C LYS A 26 -10.301 -11.414 3.651 1.00 0.00 C ATOM 405 O LYS A 26 -11.115 -10.520 3.773 1.00 0.00 O ATOM 406 CB LYS A 26 -11.162 -13.557 2.653 1.00 0.00 C ATOM 407 CG LYS A 26 -11.728 -14.087 1.330 1.00 0.00 C ATOM 408 CD LYS A 26 -12.286 -15.497 1.540 1.00 0.00 C ATOM 409 CE LYS A 26 -13.328 -15.476 2.661 1.00 0.00 C ATOM 410 NZ LYS A 26 -14.173 -14.254 2.535 1.00 0.00 N ATOM 0 H LYS A 26 -8.766 -13.743 1.971 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.694 -11.741 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.568 -14.331 3.138 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.978 -13.309 3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.514 -13.424 0.967 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.948 -14.103 0.569 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.737 -15.861 0.617 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.479 -16.184 1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -13.951 -16.369 2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -12.833 -15.490 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -15.084 -14.412 3.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -13.686 -13.448 2.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -14.338 -14.049 1.529 1.00 0.00 H new ATOM 424 N GLU A 27 -9.423 -11.648 4.581 1.00 0.00 N ATOM 425 CA GLU A 27 -9.410 -10.811 5.819 1.00 0.00 C ATOM 426 C GLU A 27 -8.772 -9.442 5.539 1.00 0.00 C ATOM 427 O GLU A 27 -9.179 -8.440 6.093 1.00 0.00 O ATOM 428 CB GLU A 27 -8.602 -11.519 6.908 1.00 0.00 C ATOM 429 CG GLU A 27 -9.397 -12.693 7.473 1.00 0.00 C ATOM 430 CD GLU A 27 -8.552 -13.424 8.520 1.00 0.00 C ATOM 431 OE1 GLU A 27 -7.841 -12.755 9.251 1.00 0.00 O ATOM 432 OE2 GLU A 27 -8.633 -14.640 8.573 1.00 0.00 O ATOM 0 H GLU A 27 -8.713 -12.380 4.542 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.439 -10.666 6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.657 -11.874 6.497 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.359 -10.817 7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.324 -12.336 7.923 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.675 -13.378 6.671 1.00 0.00 H new ATOM 439 N ILE A 28 -7.779 -9.383 4.701 1.00 0.00 N ATOM 440 CA ILE A 28 -7.124 -8.074 4.409 1.00 0.00 C ATOM 441 C ILE A 28 -8.116 -7.165 3.696 1.00 0.00 C ATOM 442 O ILE A 28 -8.222 -5.991 3.992 1.00 0.00 O ATOM 443 CB ILE A 28 -5.880 -8.351 3.554 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.179 -9.580 4.174 1.00 0.00 C ATOM 445 CG2 ILE A 28 -4.959 -7.121 3.546 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.679 -9.637 3.870 1.00 0.00 C ATOM 0 H ILE A 28 -7.390 -10.184 4.203 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.816 -7.567 5.323 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.144 -8.553 2.516 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.324 -9.566 5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.653 -10.487 3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.080 -7.329 2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.495 -6.268 3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.648 -6.893 4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.247 -10.524 4.334 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.528 -9.682 2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.193 -8.746 4.268 1.00 0.00 H new ATOM 458 N LEU A 29 -8.855 -7.696 2.771 1.00 0.00 N ATOM 459 CA LEU A 29 -9.854 -6.870 2.052 1.00 0.00 C ATOM 460 C LEU A 29 -10.992 -6.519 3.021 1.00 0.00 C ATOM 461 O LEU A 29 -11.607 -5.479 2.932 1.00 0.00 O ATOM 462 CB LEU A 29 -10.377 -7.669 0.859 1.00 0.00 C ATOM 463 CG LEU A 29 -9.183 -8.220 0.062 1.00 0.00 C ATOM 464 CD1 LEU A 29 -9.697 -9.125 -1.062 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.380 -7.057 -0.545 1.00 0.00 C ATOM 0 H LEU A 29 -8.810 -8.673 2.480 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.409 -5.944 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.010 -8.487 1.202 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.994 -7.035 0.222 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.538 -8.792 0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.852 -9.517 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.262 -9.953 -0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.343 -8.550 -1.725 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.535 -7.453 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.022 -6.480 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.013 -6.412 0.254 1.00 0.00 H new ATOM 477 N ASP A 30 -11.258 -7.380 3.964 1.00 0.00 N ATOM 478 CA ASP A 30 -12.327 -7.088 4.965 1.00 0.00 C ATOM 479 C ASP A 30 -11.852 -5.930 5.850 1.00 0.00 C ATOM 480 O ASP A 30 -12.601 -5.025 6.160 1.00 0.00 O ATOM 481 CB ASP A 30 -12.583 -8.328 5.827 1.00 0.00 C ATOM 482 CG ASP A 30 -13.808 -8.090 6.711 1.00 0.00 C ATOM 483 OD1 ASP A 30 -14.710 -7.398 6.267 1.00 0.00 O ATOM 484 OD2 ASP A 30 -13.825 -8.605 7.817 1.00 0.00 O ATOM 0 H ASP A 30 -10.782 -8.274 4.086 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.254 -6.819 4.458 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.743 -9.199 5.192 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.711 -8.541 6.445 1.00 0.00 H new ATOM 489 N ALA A 31 -10.620 -5.964 6.277 1.00 0.00 N ATOM 490 CA ALA A 31 -10.093 -4.883 7.163 1.00 0.00 C ATOM 491 C ALA A 31 -9.963 -3.561 6.388 1.00 0.00 C ATOM 492 O ALA A 31 -10.013 -2.497 6.970 1.00 0.00 O ATOM 493 CB ALA A 31 -8.723 -5.312 7.693 1.00 0.00 C ATOM 0 H ALA A 31 -9.950 -6.698 6.050 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.784 -4.724 7.991 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.324 -4.533 8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.825 -6.238 8.258 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.043 -5.471 6.856 1.00 0.00 H new ATOM 499 N PHE A 32 -9.828 -3.603 5.094 1.00 0.00 N ATOM 500 CA PHE A 32 -9.728 -2.333 4.307 1.00 0.00 C ATOM 501 C PHE A 32 -10.903 -1.418 4.660 1.00 0.00 C ATOM 502 O PHE A 32 -10.955 -0.278 4.244 1.00 0.00 O ATOM 503 CB PHE A 32 -9.786 -2.702 2.814 1.00 0.00 C ATOM 504 CG PHE A 32 -8.411 -3.077 2.262 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.322 -3.412 3.102 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.228 -3.070 0.873 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.081 -3.725 2.543 1.00 0.00 C ATOM 508 CE2 PHE A 32 -6.982 -3.381 0.323 1.00 0.00 C ATOM 509 CZ PHE A 32 -5.909 -3.706 1.157 1.00 0.00 C ATOM 0 H PHE A 32 -9.782 -4.459 4.542 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.799 -1.811 4.535 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.473 -3.537 2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.187 -1.861 2.248 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.451 -3.426 4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.055 -2.823 0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.251 -3.983 3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.848 -3.370 -0.749 1.00 0.00 H new ATOM 0 HZ PHE A 32 -4.946 -3.943 0.730 1.00 0.00 H new ATOM 519 N ASP A 33 -11.859 -1.907 5.395 1.00 0.00 N ATOM 520 CA ASP A 33 -13.037 -1.060 5.732 1.00 0.00 C ATOM 521 C ASP A 33 -12.760 -0.214 6.974 1.00 0.00 C ATOM 522 O ASP A 33 -13.445 0.757 7.227 1.00 0.00 O ATOM 523 CB ASP A 33 -14.243 -1.962 6.001 1.00 0.00 C ATOM 524 CG ASP A 33 -13.934 -2.896 7.172 1.00 0.00 C ATOM 525 OD1 ASP A 33 -12.765 -3.063 7.478 1.00 0.00 O ATOM 526 OD2 ASP A 33 -14.871 -3.426 7.744 1.00 0.00 O ATOM 0 H ASP A 33 -11.878 -2.853 5.777 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.239 -0.394 4.893 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -15.120 -1.356 6.228 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.480 -2.545 5.111 1.00 0.00 H new ATOM 531 N LYS A 34 -11.750 -0.550 7.740 1.00 0.00 N ATOM 532 CA LYS A 34 -11.413 0.261 8.954 1.00 0.00 C ATOM 533 C LYS A 34 -9.904 0.545 8.975 1.00 0.00 C ATOM 534 O LYS A 34 -9.365 0.994 9.966 1.00 0.00 O ATOM 535 CB LYS A 34 -11.824 -0.498 10.221 1.00 0.00 C ATOM 536 CG LYS A 34 -11.061 -1.821 10.316 1.00 0.00 C ATOM 537 CD LYS A 34 -11.548 -2.598 11.545 1.00 0.00 C ATOM 538 CE LYS A 34 -10.539 -3.691 11.894 1.00 0.00 C ATOM 539 NZ LYS A 34 -10.974 -4.393 13.136 1.00 0.00 N ATOM 0 H LYS A 34 -11.143 -1.353 7.577 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.956 1.205 8.921 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.620 0.112 11.101 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.897 -0.689 10.207 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.218 -2.411 9.413 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.990 -1.632 10.391 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.672 -1.921 12.390 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.524 -3.040 11.345 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.458 -4.402 11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.550 -3.255 12.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.287 -5.137 13.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.030 -3.711 13.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.909 -4.822 12.983 1.00 0.00 H new ATOM 553 N MET A 35 -9.211 0.284 7.890 1.00 0.00 N ATOM 554 CA MET A 35 -7.735 0.542 7.863 1.00 0.00 C ATOM 555 C MET A 35 -7.482 2.033 7.586 1.00 0.00 C ATOM 556 O MET A 35 -6.671 2.643 8.254 1.00 0.00 O ATOM 557 CB MET A 35 -7.076 -0.345 6.780 1.00 0.00 C ATOM 558 CG MET A 35 -5.858 -1.082 7.342 1.00 0.00 C ATOM 559 SD MET A 35 -4.877 -1.756 5.971 1.00 0.00 S ATOM 560 CE MET A 35 -5.229 -3.513 6.246 1.00 0.00 C ATOM 0 H MET A 35 -9.601 -0.094 7.027 1.00 0.00 H new ATOM 0 HA MET A 35 -7.294 0.291 8.828 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.801 -1.067 6.405 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.774 0.272 5.934 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.250 -0.401 7.939 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.179 -1.886 8.004 1.00 0.00 H new ATOM 0 HE1 MET A 35 -4.711 -4.110 5.495 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.886 -3.802 7.239 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.302 -3.685 6.169 1.00 0.00 H new ATOM 570 N CYS A 36 -8.146 2.652 6.635 1.00 0.00 N ATOM 571 CA CYS A 36 -7.861 4.097 6.430 1.00 0.00 C ATOM 572 C CYS A 36 -8.276 4.807 7.716 1.00 0.00 C ATOM 573 O CYS A 36 -8.105 6.000 7.865 1.00 0.00 O ATOM 574 CB CYS A 36 -8.633 4.670 5.234 1.00 0.00 C ATOM 575 SG CYS A 36 -8.263 3.732 3.723 1.00 0.00 S ATOM 0 H CYS A 36 -8.843 2.235 6.019 1.00 0.00 H new ATOM 0 HA CYS A 36 -6.803 4.243 6.210 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.704 4.637 5.436 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -8.368 5.718 5.092 1.00 0.00 H new ATOM 580 N SER A 37 -8.835 4.080 8.645 1.00 0.00 N ATOM 581 CA SER A 37 -9.279 4.721 9.922 1.00 0.00 C ATOM 582 C SER A 37 -8.088 4.924 10.870 1.00 0.00 C ATOM 583 O SER A 37 -8.225 5.539 11.909 1.00 0.00 O ATOM 584 CB SER A 37 -10.319 3.828 10.603 1.00 0.00 C ATOM 585 OG SER A 37 -11.223 3.333 9.625 1.00 0.00 O ATOM 0 H SER A 37 -9.004 3.076 8.579 1.00 0.00 H new ATOM 0 HA SER A 37 -9.713 5.694 9.691 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.827 3.000 11.113 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.860 4.393 11.362 1.00 0.00 H new ATOM 0 HG SER A 37 -12.036 3.008 10.066 1.00 0.00 H new ATOM 591 N LYS A 38 -6.928 4.413 10.540 1.00 0.00 N ATOM 592 CA LYS A 38 -5.743 4.581 11.451 1.00 0.00 C ATOM 593 C LYS A 38 -4.883 5.775 10.998 1.00 0.00 C ATOM 594 O LYS A 38 -3.734 5.891 11.372 1.00 0.00 O ATOM 595 CB LYS A 38 -4.905 3.289 11.443 1.00 0.00 C ATOM 596 CG LYS A 38 -5.519 2.263 12.401 1.00 0.00 C ATOM 597 CD LYS A 38 -6.932 1.905 11.935 1.00 0.00 C ATOM 598 CE LYS A 38 -7.399 0.635 12.649 1.00 0.00 C ATOM 599 NZ LYS A 38 -7.130 0.757 14.110 1.00 0.00 N ATOM 0 H LYS A 38 -6.746 3.888 9.684 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.095 4.777 12.464 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.864 2.878 10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.879 3.509 11.740 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.899 1.367 12.436 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.551 2.668 13.412 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.616 2.727 12.148 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.943 1.753 10.856 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.464 0.479 12.477 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.880 -0.234 12.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.728 0.084 14.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.129 0.548 14.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.346 1.725 14.423 1.00 0.00 H new ATOM 613 N LEU A 39 -5.435 6.667 10.204 1.00 0.00 N ATOM 614 CA LEU A 39 -4.660 7.869 9.729 1.00 0.00 C ATOM 615 C LEU A 39 -5.474 9.139 10.057 1.00 0.00 C ATOM 616 O LEU A 39 -6.685 9.106 9.959 1.00 0.00 O ATOM 617 CB LEU A 39 -4.490 7.785 8.205 1.00 0.00 C ATOM 618 CG LEU A 39 -3.767 6.493 7.810 1.00 0.00 C ATOM 619 CD1 LEU A 39 -3.724 6.398 6.284 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.329 6.497 8.353 1.00 0.00 C ATOM 0 H LEU A 39 -6.394 6.616 9.861 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.685 7.900 10.216 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.467 7.823 7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.925 8.647 7.849 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.302 5.641 8.230 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.211 5.482 5.991 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.741 6.386 5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.189 7.258 5.881 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.828 5.573 8.064 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.787 7.348 7.940 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.351 6.573 9.440 1.00 0.00 H new ATOM 632 N PRO A 40 -4.821 10.235 10.425 1.00 0.00 N ATOM 633 CA PRO A 40 -5.550 11.477 10.731 1.00 0.00 C ATOM 634 C PRO A 40 -6.624 11.747 9.658 1.00 0.00 C ATOM 635 O PRO A 40 -6.550 11.219 8.566 1.00 0.00 O ATOM 636 CB PRO A 40 -4.458 12.573 10.786 1.00 0.00 C ATOM 637 CG PRO A 40 -3.082 11.848 10.790 1.00 0.00 C ATOM 638 CD PRO A 40 -3.350 10.344 10.570 1.00 0.00 C ATOM 0 HA PRO A 40 -6.097 11.434 11.673 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.539 13.241 9.928 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.573 13.187 11.680 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.439 12.242 10.003 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.565 12.011 11.736 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.837 9.977 9.681 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.991 9.752 11.412 1.00 0.00 H new ATOM 646 N LYS A 41 -7.624 12.537 9.944 1.00 0.00 N ATOM 647 CA LYS A 41 -8.680 12.790 8.917 1.00 0.00 C ATOM 648 C LYS A 41 -8.105 13.506 7.693 1.00 0.00 C ATOM 649 O LYS A 41 -8.734 13.568 6.655 1.00 0.00 O ATOM 650 CB LYS A 41 -9.796 13.641 9.515 1.00 0.00 C ATOM 651 CG LYS A 41 -11.021 13.606 8.592 1.00 0.00 C ATOM 652 CD LYS A 41 -12.187 14.339 9.256 1.00 0.00 C ATOM 653 CE LYS A 41 -13.440 14.190 8.388 1.00 0.00 C ATOM 654 NZ LYS A 41 -13.158 14.697 7.015 1.00 0.00 N ATOM 0 H LYS A 41 -7.757 13.015 10.835 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.075 11.824 8.602 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.062 13.267 10.504 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.455 14.668 9.644 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.782 14.073 7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.300 12.574 8.381 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.369 13.931 10.250 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.943 15.394 9.384 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.743 13.144 8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.268 14.745 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.055 14.899 6.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.593 15.568 7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.629 13.978 6.481 1.00 0.00 H new ATOM 668 N SER A 42 -6.960 14.114 7.814 1.00 0.00 N ATOM 669 CA SER A 42 -6.426 14.894 6.662 1.00 0.00 C ATOM 670 C SER A 42 -5.996 14.011 5.489 1.00 0.00 C ATOM 671 O SER A 42 -5.830 14.481 4.382 1.00 0.00 O ATOM 672 CB SER A 42 -5.268 15.785 7.111 1.00 0.00 C ATOM 673 OG SER A 42 -4.197 14.968 7.569 1.00 0.00 O ATOM 0 H SER A 42 -6.375 14.106 8.650 1.00 0.00 H new ATOM 0 HA SER A 42 -7.244 15.517 6.301 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.935 16.412 6.284 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.596 16.454 7.906 1.00 0.00 H new ATOM 0 HG SER A 42 -3.452 15.536 7.856 1.00 0.00 H new ATOM 679 N LEU A 43 -5.835 12.727 5.718 1.00 0.00 N ATOM 680 CA LEU A 43 -5.437 11.793 4.608 1.00 0.00 C ATOM 681 C LEU A 43 -6.583 10.812 4.344 1.00 0.00 C ATOM 682 O LEU A 43 -6.475 9.963 3.483 1.00 0.00 O ATOM 683 CB LEU A 43 -4.188 10.982 4.986 1.00 0.00 C ATOM 684 CG LEU A 43 -3.115 11.880 5.599 1.00 0.00 C ATOM 685 CD1 LEU A 43 -1.851 11.063 5.874 1.00 0.00 C ATOM 686 CD2 LEU A 43 -2.775 13.029 4.644 1.00 0.00 C ATOM 0 H LEU A 43 -5.962 12.283 6.627 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.219 12.390 3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.459 10.199 5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.790 10.487 4.100 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.497 12.291 6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.089 11.708 6.311 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.084 10.255 6.567 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.479 10.643 4.940 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.009 13.661 5.093 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.404 12.622 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.670 13.622 4.455 1.00 0.00 H new ATOM 698 N SER A 44 -7.665 10.903 5.096 1.00 0.00 N ATOM 699 CA SER A 44 -8.821 9.957 4.907 1.00 0.00 C ATOM 700 C SER A 44 -8.973 9.616 3.425 1.00 0.00 C ATOM 701 O SER A 44 -8.813 8.497 2.987 1.00 0.00 O ATOM 702 CB SER A 44 -10.107 10.608 5.418 1.00 0.00 C ATOM 703 OG SER A 44 -11.228 9.876 4.943 1.00 0.00 O ATOM 0 H SER A 44 -7.796 11.595 5.834 1.00 0.00 H new ATOM 0 HA SER A 44 -8.631 9.042 5.469 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.108 10.630 6.508 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.164 11.642 5.078 1.00 0.00 H new ATOM 0 HG SER A 44 -12.053 10.291 5.271 1.00 0.00 H new ATOM 709 N GLU A 45 -9.441 10.593 2.704 1.00 0.00 N ATOM 710 CA GLU A 45 -9.822 10.454 1.274 1.00 0.00 C ATOM 711 C GLU A 45 -8.795 9.859 0.322 1.00 0.00 C ATOM 712 O GLU A 45 -9.074 8.935 -0.417 1.00 0.00 O ATOM 713 CB GLU A 45 -10.143 11.853 0.753 1.00 0.00 C ATOM 714 CG GLU A 45 -11.274 12.469 1.581 1.00 0.00 C ATOM 715 CD GLU A 45 -11.594 13.866 1.047 1.00 0.00 C ATOM 716 OE1 GLU A 45 -10.673 14.537 0.611 1.00 0.00 O ATOM 717 OE2 GLU A 45 -12.754 14.241 1.083 1.00 0.00 O ATOM 0 H GLU A 45 -9.582 11.534 3.071 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.649 9.744 1.280 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.256 12.484 0.807 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.434 11.802 -0.296 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.161 11.837 1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.982 12.527 2.629 1.00 0.00 H new ATOM 724 N GLU A 46 -7.607 10.370 0.343 1.00 0.00 N ATOM 725 CA GLU A 46 -6.552 9.831 -0.546 1.00 0.00 C ATOM 726 C GLU A 46 -6.400 8.328 -0.291 1.00 0.00 C ATOM 727 O GLU A 46 -5.962 7.592 -1.144 1.00 0.00 O ATOM 728 CB GLU A 46 -5.227 10.566 -0.266 1.00 0.00 C ATOM 729 CG GLU A 46 -5.507 11.984 0.256 1.00 0.00 C ATOM 730 CD GLU A 46 -6.540 12.676 -0.638 1.00 0.00 C ATOM 731 OE1 GLU A 46 -6.525 12.422 -1.832 1.00 0.00 O ATOM 732 OE2 GLU A 46 -7.326 13.449 -0.114 1.00 0.00 O ATOM 0 H GLU A 46 -7.317 11.144 0.941 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.824 9.985 -1.590 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.642 10.010 0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.631 10.617 -1.177 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.874 11.937 1.281 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.584 12.563 0.274 1.00 0.00 H new ATOM 739 N CYS A 47 -6.780 7.862 0.865 1.00 0.00 N ATOM 740 CA CYS A 47 -6.671 6.400 1.139 1.00 0.00 C ATOM 741 C CYS A 47 -7.839 5.707 0.443 1.00 0.00 C ATOM 742 O CYS A 47 -7.681 4.671 -0.171 1.00 0.00 O ATOM 743 CB CYS A 47 -6.722 6.159 2.658 1.00 0.00 C ATOM 744 SG CYS A 47 -6.470 4.404 3.048 1.00 0.00 S ATOM 0 H CYS A 47 -7.159 8.424 1.628 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.729 6.001 0.764 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.956 6.758 3.151 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -7.685 6.488 3.050 1.00 0.00 H new ATOM 749 N GLN A 48 -9.010 6.265 0.525 1.00 0.00 N ATOM 750 CA GLN A 48 -10.173 5.623 -0.139 1.00 0.00 C ATOM 751 C GLN A 48 -9.856 5.408 -1.625 1.00 0.00 C ATOM 752 O GLN A 48 -10.124 4.363 -2.181 1.00 0.00 O ATOM 753 CB GLN A 48 -11.416 6.520 0.022 1.00 0.00 C ATOM 754 CG GLN A 48 -12.691 5.667 0.026 1.00 0.00 C ATOM 755 CD GLN A 48 -12.831 4.940 -1.312 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.336 3.837 -1.366 1.00 0.00 O ATOM 757 NE2 GLN A 48 -12.406 5.517 -2.403 1.00 0.00 N ATOM 0 H GLN A 48 -9.212 7.133 1.020 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.376 4.656 0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.346 7.086 0.951 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -11.458 7.245 -0.791 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.654 4.944 0.841 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -13.562 6.299 0.200 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -11.982 6.444 -2.358 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -12.498 5.041 -3.301 1.00 0.00 H new ATOM 766 N GLU A 49 -9.300 6.400 -2.278 1.00 0.00 N ATOM 767 CA GLU A 49 -8.986 6.261 -3.730 1.00 0.00 C ATOM 768 C GLU A 49 -7.855 5.249 -3.945 1.00 0.00 C ATOM 769 O GLU A 49 -7.916 4.433 -4.842 1.00 0.00 O ATOM 770 CB GLU A 49 -8.564 7.622 -4.289 1.00 0.00 C ATOM 771 CG GLU A 49 -9.779 8.550 -4.345 1.00 0.00 C ATOM 772 CD GLU A 49 -9.317 9.973 -4.664 1.00 0.00 C ATOM 773 OE1 GLU A 49 -8.356 10.414 -4.053 1.00 0.00 O ATOM 774 OE2 GLU A 49 -9.930 10.598 -5.513 1.00 0.00 O ATOM 0 H GLU A 49 -9.051 7.299 -1.866 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.876 5.904 -4.248 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.787 8.060 -3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.139 7.502 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.480 8.204 -5.105 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.308 8.533 -3.392 1.00 0.00 H new ATOM 781 N VAL A 50 -6.826 5.278 -3.137 1.00 0.00 N ATOM 782 CA VAL A 50 -5.726 4.293 -3.332 1.00 0.00 C ATOM 783 C VAL A 50 -6.259 2.904 -3.026 1.00 0.00 C ATOM 784 O VAL A 50 -6.075 1.972 -3.784 1.00 0.00 O ATOM 785 CB VAL A 50 -4.543 4.587 -2.398 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.404 3.603 -2.690 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.046 6.033 -2.611 1.00 0.00 C ATOM 0 H VAL A 50 -6.702 5.931 -2.363 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.376 4.361 -4.362 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.868 4.473 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.564 3.811 -2.027 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.753 2.584 -2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.084 3.713 -3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.207 6.231 -1.944 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.725 6.159 -3.645 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.855 6.731 -2.395 1.00 0.00 H new ATOM 797 N VAL A 51 -6.898 2.746 -1.900 1.00 0.00 N ATOM 798 CA VAL A 51 -7.412 1.408 -1.528 1.00 0.00 C ATOM 799 C VAL A 51 -8.435 0.931 -2.569 1.00 0.00 C ATOM 800 O VAL A 51 -8.367 -0.170 -3.070 1.00 0.00 O ATOM 801 CB VAL A 51 -7.984 1.471 -0.110 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.487 0.103 0.319 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.883 1.917 0.855 1.00 0.00 C ATOM 0 H VAL A 51 -7.084 3.488 -1.225 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.608 0.672 -1.525 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.813 2.178 -0.095 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.891 0.164 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.269 -0.228 -0.365 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.663 -0.610 0.300 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.284 1.964 1.868 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.060 1.203 0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.520 2.902 0.562 1.00 0.00 H new ATOM 813 N ASP A 52 -9.419 1.747 -2.843 1.00 0.00 N ATOM 814 CA ASP A 52 -10.508 1.356 -3.791 1.00 0.00 C ATOM 815 C ASP A 52 -9.991 1.124 -5.211 1.00 0.00 C ATOM 816 O ASP A 52 -10.389 0.191 -5.879 1.00 0.00 O ATOM 817 CB ASP A 52 -11.561 2.469 -3.818 1.00 0.00 C ATOM 818 CG ASP A 52 -12.712 2.060 -4.738 1.00 0.00 C ATOM 819 OD1 ASP A 52 -13.606 1.377 -4.267 1.00 0.00 O ATOM 820 OD2 ASP A 52 -12.680 2.436 -5.899 1.00 0.00 O ATOM 0 H ASP A 52 -9.517 2.681 -2.445 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.934 0.416 -3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.935 2.655 -2.811 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.114 3.399 -4.169 1.00 0.00 H new ATOM 825 N THR A 53 -9.130 1.977 -5.691 1.00 0.00 N ATOM 826 CA THR A 53 -8.615 1.819 -7.079 1.00 0.00 C ATOM 827 C THR A 53 -7.410 0.885 -7.109 1.00 0.00 C ATOM 828 O THR A 53 -7.267 0.099 -8.026 1.00 0.00 O ATOM 829 CB THR A 53 -8.209 3.193 -7.618 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.329 4.065 -7.573 1.00 0.00 O ATOM 831 CG2 THR A 53 -7.724 3.057 -9.062 1.00 0.00 C ATOM 0 H THR A 53 -8.760 2.779 -5.180 1.00 0.00 H new ATOM 0 HA THR A 53 -9.400 1.386 -7.699 1.00 0.00 H new ATOM 0 HB THR A 53 -7.404 3.600 -7.006 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.347 4.530 -6.711 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.436 4.037 -9.443 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.865 2.387 -9.096 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.526 2.650 -9.678 1.00 0.00 H new ATOM 839 N TYR A 54 -6.526 0.974 -6.148 1.00 0.00 N ATOM 840 CA TYR A 54 -5.309 0.099 -6.168 1.00 0.00 C ATOM 841 C TYR A 54 -5.334 -0.958 -5.058 1.00 0.00 C ATOM 842 O TYR A 54 -4.313 -1.336 -4.521 1.00 0.00 O ATOM 843 CB TYR A 54 -4.071 0.969 -6.008 1.00 0.00 C ATOM 844 CG TYR A 54 -3.932 1.875 -7.209 1.00 0.00 C ATOM 845 CD1 TYR A 54 -4.584 3.108 -7.222 1.00 0.00 C ATOM 846 CD2 TYR A 54 -3.150 1.486 -8.303 1.00 0.00 C ATOM 847 CE1 TYR A 54 -4.461 3.959 -8.321 1.00 0.00 C ATOM 848 CE2 TYR A 54 -3.023 2.338 -9.408 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.678 3.576 -9.417 1.00 0.00 C ATOM 850 OH TYR A 54 -3.555 4.416 -10.505 1.00 0.00 O ATOM 0 H TYR A 54 -6.591 1.610 -5.353 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.293 -0.428 -7.122 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.147 1.564 -5.098 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.184 0.343 -5.907 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.187 3.406 -6.377 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.646 0.531 -8.295 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.969 4.912 -8.326 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.420 2.040 -10.253 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.976 3.999 -11.177 1.00 0.00 H new ATOM 860 N GLY A 55 -6.504 -1.403 -4.680 1.00 0.00 N ATOM 861 CA GLY A 55 -6.610 -2.392 -3.570 1.00 0.00 C ATOM 862 C GLY A 55 -6.330 -3.814 -4.047 1.00 0.00 C ATOM 863 O GLY A 55 -5.458 -4.479 -3.528 1.00 0.00 O ATOM 0 H GLY A 55 -7.393 -1.122 -5.095 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.906 -2.129 -2.781 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.609 -2.345 -3.136 1.00 0.00 H new ATOM 867 N SER A 56 -7.066 -4.313 -5.006 1.00 0.00 N ATOM 868 CA SER A 56 -6.816 -5.709 -5.444 1.00 0.00 C ATOM 869 C SER A 56 -5.428 -5.816 -6.064 1.00 0.00 C ATOM 870 O SER A 56 -4.811 -6.862 -6.067 1.00 0.00 O ATOM 871 CB SER A 56 -7.879 -6.152 -6.454 1.00 0.00 C ATOM 872 OG SER A 56 -9.016 -5.305 -6.343 1.00 0.00 O ATOM 0 H SER A 56 -7.815 -3.822 -5.494 1.00 0.00 H new ATOM 0 HA SER A 56 -6.871 -6.364 -4.575 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.476 -6.108 -7.466 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.164 -7.188 -6.269 1.00 0.00 H new ATOM 0 HG SER A 56 -9.697 -5.585 -6.989 1.00 0.00 H new ATOM 878 N SER A 57 -4.970 -4.749 -6.667 1.00 0.00 N ATOM 879 CA SER A 57 -3.663 -4.816 -7.370 1.00 0.00 C ATOM 880 C SER A 57 -2.512 -4.830 -6.374 1.00 0.00 C ATOM 881 O SER A 57 -1.653 -5.681 -6.434 1.00 0.00 O ATOM 882 CB SER A 57 -3.518 -3.650 -8.348 1.00 0.00 C ATOM 883 OG SER A 57 -3.461 -2.431 -7.617 1.00 0.00 O ATOM 0 H SER A 57 -5.442 -3.845 -6.701 1.00 0.00 H new ATOM 0 HA SER A 57 -3.629 -5.746 -7.938 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.615 -3.772 -8.946 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.360 -3.634 -9.041 1.00 0.00 H new ATOM 0 HG SER A 57 -3.366 -1.680 -8.240 1.00 0.00 H new ATOM 889 N ILE A 58 -2.511 -3.945 -5.413 1.00 0.00 N ATOM 890 CA ILE A 58 -1.429 -3.981 -4.394 1.00 0.00 C ATOM 891 C ILE A 58 -1.397 -5.390 -3.803 1.00 0.00 C ATOM 892 O ILE A 58 -0.364 -6.009 -3.649 1.00 0.00 O ATOM 893 CB ILE A 58 -1.732 -2.958 -3.279 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.434 -1.538 -3.799 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.847 -3.258 -2.057 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.841 -0.474 -2.761 1.00 0.00 C ATOM 0 H ILE A 58 -3.205 -3.208 -5.292 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.468 -3.731 -4.845 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.781 -3.027 -2.990 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.372 -1.444 -4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.973 -1.367 -4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.059 -2.536 -1.268 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.056 -4.264 -1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.203 -3.186 -2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.620 0.519 -3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.909 -0.555 -2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.282 -0.633 -1.839 1.00 0.00 H new ATOM 908 N LEU A 59 -2.555 -5.871 -3.463 1.00 0.00 N ATOM 909 CA LEU A 59 -2.697 -7.222 -2.860 1.00 0.00 C ATOM 910 C LEU A 59 -2.231 -8.301 -3.839 1.00 0.00 C ATOM 911 O LEU A 59 -1.858 -9.372 -3.416 1.00 0.00 O ATOM 912 CB LEU A 59 -4.194 -7.452 -2.524 1.00 0.00 C ATOM 913 CG LEU A 59 -4.445 -7.597 -1.021 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.679 -8.810 -0.459 1.00 0.00 C ATOM 915 CD2 LEU A 59 -4.026 -6.311 -0.290 1.00 0.00 C ATOM 0 H LEU A 59 -3.435 -5.369 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.084 -7.282 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.781 -6.617 -2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.543 -8.349 -3.035 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.510 -7.761 -0.859 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.870 -8.897 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.014 -9.717 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.611 -8.675 -0.627 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.208 -6.424 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.965 -6.125 -0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.607 -5.471 -0.670 1.00 0.00 H new ATOM 927 N SER A 60 -2.288 -8.089 -5.125 1.00 0.00 N ATOM 928 CA SER A 60 -1.885 -9.203 -6.039 1.00 0.00 C ATOM 929 C SER A 60 -0.363 -9.248 -6.192 1.00 0.00 C ATOM 930 O SER A 60 0.230 -10.296 -6.352 1.00 0.00 O ATOM 931 CB SER A 60 -2.534 -8.981 -7.397 1.00 0.00 C ATOM 932 OG SER A 60 -1.830 -9.719 -8.386 1.00 0.00 O ATOM 0 H SER A 60 -2.586 -7.223 -5.575 1.00 0.00 H new ATOM 0 HA SER A 60 -2.214 -10.153 -5.618 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.578 -9.294 -7.369 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.527 -7.920 -7.646 1.00 0.00 H new ATOM 0 HG SER A 60 -2.249 -9.577 -9.260 1.00 0.00 H new ATOM 938 N ILE A 61 0.263 -8.105 -6.156 1.00 0.00 N ATOM 939 CA ILE A 61 1.743 -8.039 -6.310 1.00 0.00 C ATOM 940 C ILE A 61 2.447 -8.596 -5.069 1.00 0.00 C ATOM 941 O ILE A 61 3.406 -9.337 -5.163 1.00 0.00 O ATOM 942 CB ILE A 61 2.150 -6.575 -6.521 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.228 -5.936 -7.609 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.631 -6.519 -6.919 1.00 0.00 C ATOM 945 CD1 ILE A 61 2.012 -5.041 -8.580 1.00 0.00 C ATOM 0 H ILE A 61 -0.194 -7.203 -6.025 1.00 0.00 H new ATOM 0 HA ILE A 61 2.040 -8.643 -7.168 1.00 0.00 H new ATOM 0 HB ILE A 61 2.027 -6.003 -5.601 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.728 -6.726 -8.169 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.449 -5.348 -7.123 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.928 -5.481 -7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.238 -6.958 -6.127 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.781 -7.078 -7.843 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.329 -4.619 -9.318 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.490 -4.234 -8.025 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.773 -5.634 -9.087 1.00 0.00 H new ATOM 957 N LEU A 62 1.988 -8.214 -3.905 1.00 0.00 N ATOM 958 CA LEU A 62 2.631 -8.683 -2.646 1.00 0.00 C ATOM 959 C LEU A 62 2.681 -10.216 -2.634 1.00 0.00 C ATOM 960 O LEU A 62 3.635 -10.812 -2.174 1.00 0.00 O ATOM 961 CB LEU A 62 1.801 -8.167 -1.453 1.00 0.00 C ATOM 962 CG LEU A 62 2.316 -6.779 -0.988 1.00 0.00 C ATOM 963 CD1 LEU A 62 1.140 -5.910 -0.531 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.295 -6.949 0.180 1.00 0.00 C ATOM 0 H LEU A 62 1.190 -7.593 -3.774 1.00 0.00 H new ATOM 0 HA LEU A 62 3.650 -8.302 -2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.751 -8.095 -1.738 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.859 -8.877 -0.628 1.00 0.00 H new ATOM 0 HG LEU A 62 2.823 -6.297 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.511 -4.938 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.444 -5.775 -1.359 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.627 -6.398 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 62 3.652 -5.970 0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.789 -7.441 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.141 -7.557 -0.140 1.00 0.00 H new ATOM 976 N LEU A 63 1.656 -10.853 -3.129 1.00 0.00 N ATOM 977 CA LEU A 63 1.637 -12.338 -3.142 1.00 0.00 C ATOM 978 C LEU A 63 2.619 -12.858 -4.185 1.00 0.00 C ATOM 979 O LEU A 63 2.985 -14.016 -4.182 1.00 0.00 O ATOM 980 CB LEU A 63 0.220 -12.830 -3.449 1.00 0.00 C ATOM 981 CG LEU A 63 -0.760 -12.254 -2.415 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.175 -12.777 -2.702 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.330 -12.660 -0.993 1.00 0.00 C ATOM 0 H LEU A 63 0.830 -10.405 -3.526 1.00 0.00 H new ATOM 0 HA LEU A 63 1.937 -12.715 -2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.073 -12.523 -4.453 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.189 -13.919 -3.427 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.755 -11.166 -2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.870 -12.368 -1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.481 -12.469 -3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.180 -13.865 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.032 -12.246 -0.269 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.323 -13.747 -0.911 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.669 -12.275 -0.791 1.00 0.00 H new ATOM 995 N GLU A 64 3.047 -12.015 -5.086 1.00 0.00 N ATOM 996 CA GLU A 64 4.002 -12.469 -6.132 1.00 0.00 C ATOM 997 C GLU A 64 5.427 -12.357 -5.578 1.00 0.00 C ATOM 998 O GLU A 64 6.390 -12.180 -6.295 1.00 0.00 O ATOM 999 CB GLU A 64 3.812 -11.617 -7.390 1.00 0.00 C ATOM 1000 CG GLU A 64 4.429 -12.315 -8.603 1.00 0.00 C ATOM 1001 CD GLU A 64 3.601 -13.551 -8.957 1.00 0.00 C ATOM 1002 OE1 GLU A 64 2.598 -13.395 -9.634 1.00 0.00 O ATOM 1003 OE2 GLU A 64 3.984 -14.634 -8.545 1.00 0.00 O ATOM 0 H GLU A 64 2.776 -11.033 -5.141 1.00 0.00 H new ATOM 0 HA GLU A 64 3.820 -13.509 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.750 -11.444 -7.563 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.275 -10.640 -7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.462 -11.631 -9.451 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.457 -12.603 -8.386 1.00 0.00 H new ATOM 1010 N GLU A 65 5.548 -12.528 -4.289 1.00 0.00 N ATOM 1011 CA GLU A 65 6.887 -12.514 -3.633 1.00 0.00 C ATOM 1012 C GLU A 65 7.746 -11.323 -4.074 1.00 0.00 C ATOM 1013 O GLU A 65 8.957 -11.405 -4.124 1.00 0.00 O ATOM 1014 CB GLU A 65 7.618 -13.789 -4.059 1.00 0.00 C ATOM 1015 CG GLU A 65 6.921 -15.006 -3.449 1.00 0.00 C ATOM 1016 CD GLU A 65 7.606 -16.285 -3.936 1.00 0.00 C ATOM 1017 OE1 GLU A 65 7.263 -16.743 -5.014 1.00 0.00 O ATOM 1018 OE2 GLU A 65 8.462 -16.783 -3.223 1.00 0.00 O ATOM 0 H GLU A 65 4.764 -12.679 -3.654 1.00 0.00 H new ATOM 0 HA GLU A 65 6.737 -12.443 -2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.628 -13.869 -5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.657 -13.751 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.959 -14.952 -2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.868 -15.015 -3.731 1.00 0.00 H new ATOM 1025 N VAL A 66 7.132 -10.208 -4.365 1.00 0.00 N ATOM 1026 CA VAL A 66 7.909 -8.990 -4.771 1.00 0.00 C ATOM 1027 C VAL A 66 8.181 -8.149 -3.509 1.00 0.00 C ATOM 1028 O VAL A 66 7.373 -8.099 -2.603 1.00 0.00 O ATOM 1029 CB VAL A 66 7.069 -8.195 -5.794 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.389 -6.695 -5.728 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.374 -8.702 -7.210 1.00 0.00 C ATOM 0 H VAL A 66 6.120 -10.083 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 66 8.861 -9.258 -5.230 1.00 0.00 H new ATOM 0 HB VAL A 66 6.016 -8.341 -5.554 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.782 -6.161 -6.460 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.167 -6.319 -4.729 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.445 -6.538 -5.948 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.781 -8.141 -7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.434 -8.565 -7.425 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.124 -9.761 -7.279 1.00 0.00 H new ATOM 1041 N SER A 67 9.314 -7.492 -3.439 1.00 0.00 N ATOM 1042 CA SER A 67 9.625 -6.668 -2.230 1.00 0.00 C ATOM 1043 C SER A 67 8.480 -5.657 -1.991 1.00 0.00 C ATOM 1044 O SER A 67 7.861 -5.218 -2.939 1.00 0.00 O ATOM 1045 CB SER A 67 10.945 -5.913 -2.443 1.00 0.00 C ATOM 1046 OG SER A 67 11.814 -6.705 -3.242 1.00 0.00 O ATOM 0 H SER A 67 10.033 -7.491 -4.163 1.00 0.00 H new ATOM 0 HA SER A 67 9.722 -7.320 -1.362 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.756 -4.956 -2.929 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.412 -5.695 -1.483 1.00 0.00 H new ATOM 0 HG SER A 67 12.657 -6.226 -3.382 1.00 0.00 H new ATOM 1052 N PRO A 68 8.214 -5.308 -0.741 1.00 0.00 N ATOM 1053 CA PRO A 68 7.133 -4.350 -0.426 1.00 0.00 C ATOM 1054 C PRO A 68 7.429 -2.945 -0.989 1.00 0.00 C ATOM 1055 O PRO A 68 6.540 -2.252 -1.431 1.00 0.00 O ATOM 1056 CB PRO A 68 7.082 -4.304 1.121 1.00 0.00 C ATOM 1057 CG PRO A 68 8.293 -5.118 1.653 1.00 0.00 C ATOM 1058 CD PRO A 68 8.935 -5.832 0.446 1.00 0.00 C ATOM 0 HA PRO A 68 6.188 -4.661 -0.873 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.127 -3.274 1.476 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.146 -4.726 1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.014 -4.460 2.138 1.00 0.00 H new ATOM 0 HG3 PRO A 68 7.970 -5.843 2.400 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.002 -5.620 0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.829 -6.914 0.526 1.00 0.00 H new ATOM 1066 N GLU A 69 8.651 -2.503 -0.938 1.00 0.00 N ATOM 1067 CA GLU A 69 8.964 -1.130 -1.435 1.00 0.00 C ATOM 1068 C GLU A 69 8.905 -1.094 -2.967 1.00 0.00 C ATOM 1069 O GLU A 69 8.724 -0.049 -3.579 1.00 0.00 O ATOM 1070 CB GLU A 69 10.364 -0.745 -0.941 1.00 0.00 C ATOM 1071 CG GLU A 69 10.880 0.484 -1.698 1.00 0.00 C ATOM 1072 CD GLU A 69 12.035 1.122 -0.924 1.00 0.00 C ATOM 1073 OE1 GLU A 69 11.789 1.631 0.157 1.00 0.00 O ATOM 1074 OE2 GLU A 69 13.147 1.090 -1.425 1.00 0.00 O ATOM 0 H GLU A 69 9.447 -3.028 -0.576 1.00 0.00 H new ATOM 0 HA GLU A 69 8.231 -0.419 -1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.334 -0.535 0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.049 -1.581 -1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.214 0.195 -2.695 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.075 1.207 -1.829 1.00 0.00 H new ATOM 1081 N LEU A 70 9.027 -2.225 -3.601 1.00 0.00 N ATOM 1082 CA LEU A 70 8.961 -2.226 -5.084 1.00 0.00 C ATOM 1083 C LEU A 70 7.501 -1.989 -5.497 1.00 0.00 C ATOM 1084 O LEU A 70 7.207 -1.696 -6.639 1.00 0.00 O ATOM 1085 CB LEU A 70 9.502 -3.550 -5.641 1.00 0.00 C ATOM 1086 CG LEU A 70 11.031 -3.595 -5.505 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.532 -5.023 -5.769 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.708 -2.627 -6.497 1.00 0.00 C ATOM 0 H LEU A 70 9.167 -3.135 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 70 9.583 -1.431 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.057 -4.388 -5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.219 -3.655 -6.688 1.00 0.00 H new ATOM 0 HG LEU A 70 11.290 -3.289 -4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.617 -5.052 -5.672 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.085 -5.705 -5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.250 -5.327 -6.777 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.790 -2.681 -6.377 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.442 -2.906 -7.517 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.371 -1.609 -6.299 1.00 0.00 H new ATOM 1100 N VAL A 71 6.582 -2.143 -4.572 1.00 0.00 N ATOM 1101 CA VAL A 71 5.141 -1.953 -4.916 1.00 0.00 C ATOM 1102 C VAL A 71 4.864 -0.491 -5.278 1.00 0.00 C ATOM 1103 O VAL A 71 4.333 -0.213 -6.331 1.00 0.00 O ATOM 1104 CB VAL A 71 4.238 -2.398 -3.737 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.845 -1.723 -3.800 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.069 -3.922 -3.777 1.00 0.00 C ATOM 0 H VAL A 71 6.769 -2.391 -3.600 1.00 0.00 H new ATOM 0 HA VAL A 71 4.910 -2.573 -5.782 1.00 0.00 H new ATOM 0 HB VAL A 71 4.718 -2.094 -2.807 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.240 -2.059 -2.958 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.963 -0.640 -3.753 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.351 -1.994 -4.733 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.435 -4.240 -2.950 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.607 -4.212 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.045 -4.399 -3.689 1.00 0.00 H new ATOM 1116 N CYS A 72 5.163 0.451 -4.426 1.00 0.00 N ATOM 1117 CA CYS A 72 4.825 1.853 -4.794 1.00 0.00 C ATOM 1118 C CYS A 72 5.656 2.293 -6.014 1.00 0.00 C ATOM 1119 O CYS A 72 5.238 3.134 -6.785 1.00 0.00 O ATOM 1120 CB CYS A 72 5.070 2.790 -3.597 1.00 0.00 C ATOM 1121 SG CYS A 72 4.275 2.127 -2.104 1.00 0.00 S ATOM 0 H CYS A 72 5.612 0.318 -3.520 1.00 0.00 H new ATOM 0 HA CYS A 72 3.769 1.907 -5.059 1.00 0.00 H new ATOM 0 HB2 CYS A 72 6.141 2.902 -3.428 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.676 3.782 -3.817 1.00 0.00 H new ATOM 1126 N SER A 73 6.826 1.722 -6.202 1.00 0.00 N ATOM 1127 CA SER A 73 7.658 2.116 -7.390 1.00 0.00 C ATOM 1128 C SER A 73 7.104 1.488 -8.690 1.00 0.00 C ATOM 1129 O SER A 73 7.130 2.111 -9.733 1.00 0.00 O ATOM 1130 CB SER A 73 9.110 1.684 -7.179 1.00 0.00 C ATOM 1131 OG SER A 73 9.959 2.484 -7.993 1.00 0.00 O ATOM 0 H SER A 73 7.236 1.012 -5.596 1.00 0.00 H new ATOM 0 HA SER A 73 7.615 3.201 -7.490 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.385 1.792 -6.130 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.229 0.631 -7.433 1.00 0.00 H new ATOM 0 HG SER A 73 10.891 2.212 -7.860 1.00 0.00 H new ATOM 1137 N MET A 74 6.610 0.279 -8.652 1.00 0.00 N ATOM 1138 CA MET A 74 6.068 -0.355 -9.906 1.00 0.00 C ATOM 1139 C MET A 74 4.697 0.248 -10.280 1.00 0.00 C ATOM 1140 O MET A 74 4.414 0.455 -11.444 1.00 0.00 O ATOM 1141 CB MET A 74 5.911 -1.888 -9.689 1.00 0.00 C ATOM 1142 CG MET A 74 7.104 -2.668 -10.275 1.00 0.00 C ATOM 1143 SD MET A 74 6.645 -4.408 -10.507 1.00 0.00 S ATOM 1144 CE MET A 74 5.801 -4.674 -8.927 1.00 0.00 C ATOM 0 H MET A 74 6.555 -0.301 -7.815 1.00 0.00 H new ATOM 0 HA MET A 74 6.768 -0.162 -10.719 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.826 -2.099 -8.623 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.987 -2.230 -10.156 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.403 -2.231 -11.228 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.962 -2.595 -9.607 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.708 -5.744 -8.740 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.377 -4.214 -8.125 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.809 -4.225 -8.964 1.00 0.00 H new ATOM 1154 N LEU A 75 3.836 0.510 -9.336 1.00 0.00 N ATOM 1155 CA LEU A 75 2.496 1.068 -9.703 1.00 0.00 C ATOM 1156 C LEU A 75 2.627 2.530 -10.154 1.00 0.00 C ATOM 1157 O LEU A 75 1.662 3.267 -10.173 1.00 0.00 O ATOM 1158 CB LEU A 75 1.544 0.976 -8.504 1.00 0.00 C ATOM 1159 CG LEU A 75 1.480 -0.468 -7.973 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.388 -0.575 -6.906 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.173 -1.449 -9.115 1.00 0.00 C ATOM 0 H LEU A 75 3.995 0.366 -8.339 1.00 0.00 H new ATOM 0 HA LEU A 75 2.091 0.483 -10.529 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.881 1.646 -7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.547 1.306 -8.798 1.00 0.00 H new ATOM 0 HG LEU A 75 2.447 -0.722 -7.539 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.344 -1.598 -6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.615 0.103 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.574 -0.307 -7.342 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.132 -2.464 -8.721 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.213 -1.195 -9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.956 -1.385 -9.870 1.00 0.00 H new ATOM 1173 N HIS A 76 3.814 2.949 -10.503 1.00 0.00 N ATOM 1174 CA HIS A 76 4.028 4.363 -10.952 1.00 0.00 C ATOM 1175 C HIS A 76 3.335 5.333 -9.984 1.00 0.00 C ATOM 1176 O HIS A 76 3.104 6.477 -10.323 1.00 0.00 O ATOM 1177 CB HIS A 76 3.492 4.552 -12.380 1.00 0.00 C ATOM 1178 CG HIS A 76 1.988 4.558 -12.379 1.00 0.00 C ATOM 1179 ND1 HIS A 76 1.253 5.597 -11.831 1.00 0.00 N ATOM 1180 CD2 HIS A 76 1.067 3.656 -12.853 1.00 0.00 C ATOM 1181 CE1 HIS A 76 -0.050 5.298 -11.986 1.00 0.00 C ATOM 1182 NE2 HIS A 76 -0.219 4.126 -12.603 1.00 0.00 N ATOM 0 H HIS A 76 4.654 2.370 -10.497 1.00 0.00 H new ATOM 0 HA HIS A 76 5.097 4.577 -10.953 1.00 0.00 H new ATOM 0 HB2 HIS A 76 3.865 5.488 -12.794 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.858 3.751 -13.022 1.00 0.00 H new ATOM 0 HD1 HIS A 76 1.631 6.436 -11.390 1.00 0.00 H new ATOM 0 HD2 HIS A 76 1.304 2.724 -13.345 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -0.860 5.929 -11.652 1.00 0.00 H new ATOM 1190 N LEU A 77 3.005 4.921 -8.795 1.00 0.00 N ATOM 1191 CA LEU A 77 2.340 5.870 -7.855 1.00 0.00 C ATOM 1192 C LEU A 77 3.406 6.749 -7.205 1.00 0.00 C ATOM 1193 O LEU A 77 3.101 7.740 -6.571 1.00 0.00 O ATOM 1194 CB LEU A 77 1.584 5.103 -6.751 1.00 0.00 C ATOM 1195 CG LEU A 77 0.286 4.437 -7.254 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.545 4.012 -6.038 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.562 5.395 -8.116 1.00 0.00 C ATOM 0 H LEU A 77 3.163 3.980 -8.433 1.00 0.00 H new ATOM 0 HA LEU A 77 1.628 6.478 -8.413 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.240 4.338 -6.335 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.342 5.790 -5.941 1.00 0.00 H new ATOM 0 HG LEU A 77 0.562 3.582 -7.872 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.467 3.539 -6.375 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.026 3.306 -5.436 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.786 4.889 -5.437 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.465 4.883 -8.448 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.836 6.269 -7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.016 5.711 -8.985 1.00 0.00 H new ATOM 1209 N CYS A 78 4.656 6.394 -7.362 1.00 0.00 N ATOM 1210 CA CYS A 78 5.762 7.204 -6.764 1.00 0.00 C ATOM 1211 C CYS A 78 6.822 7.479 -7.833 1.00 0.00 C ATOM 1212 O CYS A 78 6.984 6.722 -8.769 1.00 0.00 O ATOM 1213 CB CYS A 78 6.391 6.426 -5.607 1.00 0.00 C ATOM 1214 SG CYS A 78 5.291 6.486 -4.174 1.00 0.00 S ATOM 0 H CYS A 78 4.961 5.572 -7.883 1.00 0.00 H new ATOM 0 HA CYS A 78 5.366 8.149 -6.393 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.565 5.391 -5.902 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.361 6.853 -5.353 1.00 0.00 H new