USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 594 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 62 LYS NZ :NH3+ 158:sc= -0.208 (180deg=-0.658) USER MOD Set 1.2: A 76 ASN : amide:sc= -2.57 K(o=-2.8,f=-2.2) USER MOD Set 2.1: A 27 SER OG : rot 180:sc= -0.0636 USER MOD Set 2.2: A 28 ASN : amide:sc= -3.53 K(o=-13,f=-18!) USER MOD Set 2.3: A 64 ASN : amide:sc= -8.93! C(o=-13!,f=-8.2!) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0857 USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0335 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -83:sc= -0.0686 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -2.04 K(o=-2,f=-3.3) USER MOD Single : A 17 SER OG : rot 180:sc= -1.24 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -1.06 X(o=-1.1,f=-1.1) USER MOD Single : A 25 MET CE :methyl -174:sc= 0 (180deg=-0.00814) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot -16:sc= 0.94 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0746 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -0.0249 K(o=-0.025,f=-1.6!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 52:sc= 0.968 USER MOD Single : A 58 GLN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.436 USER MOD Single : A 67 GLN : amide:sc= -0.358 X(o=-0.36,f=-0.0051) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.0588 X(o=0.059,f=0) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 5.575 -3.415 -5.056 1.00 0.00 N ATOM 43 CA SER A 3 5.335 -1.980 -4.967 1.00 0.00 C ATOM 44 C SER A 3 4.727 -1.449 -6.261 1.00 0.00 C ATOM 45 O SER A 3 3.562 -1.050 -6.297 1.00 0.00 O ATOM 46 CB SER A 3 6.640 -1.242 -4.663 1.00 0.00 C ATOM 47 OG SER A 3 7.664 -1.623 -5.565 1.00 0.00 O ATOM 0 HA SER A 3 4.628 -1.804 -4.156 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.476 -0.166 -4.727 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.953 -1.456 -3.641 1.00 0.00 H new ATOM 0 HG SER A 3 8.487 -1.136 -5.350 1.00 0.00 H new ATOM 53 N THR A 4 5.524 -1.447 -7.325 1.00 0.00 N ATOM 54 CA THR A 4 5.067 -0.965 -8.622 1.00 0.00 C ATOM 55 C THR A 4 3.758 -1.634 -9.027 1.00 0.00 C ATOM 56 O THR A 4 2.925 -1.031 -9.705 1.00 0.00 O ATOM 57 CB THR A 4 6.120 -1.217 -9.718 1.00 0.00 C ATOM 58 OG1 THR A 4 5.694 -0.626 -10.951 1.00 0.00 O ATOM 59 CG2 THR A 4 6.349 -2.707 -9.916 1.00 0.00 C ATOM 0 H THR A 4 6.490 -1.774 -7.314 1.00 0.00 H new ATOM 0 HA THR A 4 4.907 0.109 -8.522 1.00 0.00 H new ATOM 0 HB THR A 4 7.058 -0.761 -9.402 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.369 -0.789 -11.642 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.096 -2.860 -10.695 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.701 -3.148 -8.983 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.414 -3.183 -10.212 1.00 0.00 H new ATOM 67 N PHE A 5 3.583 -2.882 -8.608 1.00 0.00 N ATOM 68 CA PHE A 5 2.374 -3.633 -8.928 1.00 0.00 C ATOM 69 C PHE A 5 1.128 -2.790 -8.678 1.00 0.00 C ATOM 70 O PHE A 5 0.138 -2.896 -9.402 1.00 0.00 O ATOM 71 CB PHE A 5 2.311 -4.916 -8.096 1.00 0.00 C ATOM 72 CG PHE A 5 1.834 -6.110 -8.872 1.00 0.00 C ATOM 73 CD1 PHE A 5 0.889 -5.969 -9.876 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.330 -7.375 -8.598 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.448 -7.066 -10.591 1.00 0.00 C ATOM 76 CE2 PHE A 5 1.893 -8.476 -9.310 1.00 0.00 C ATOM 77 CZ PHE A 5 0.951 -8.321 -10.308 1.00 0.00 C ATOM 0 H PHE A 5 4.262 -3.395 -8.046 1.00 0.00 H new ATOM 0 HA PHE A 5 2.408 -3.895 -9.986 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.301 -5.127 -7.692 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.648 -4.756 -7.246 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.493 -4.990 -10.102 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.067 -7.502 -7.819 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.289 -6.942 -11.370 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.288 -9.456 -9.086 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.608 -9.180 -10.866 1.00 0.00 H new ATOM 87 N ASP A 6 1.184 -1.952 -7.649 1.00 0.00 N ATOM 88 CA ASP A 6 0.061 -1.089 -7.303 1.00 0.00 C ATOM 89 C ASP A 6 -0.349 -0.226 -8.492 1.00 0.00 C ATOM 90 O ASP A 6 -1.384 -0.462 -9.116 1.00 0.00 O ATOM 91 CB ASP A 6 0.421 -0.200 -6.112 1.00 0.00 C ATOM 92 CG ASP A 6 0.198 -0.894 -4.782 1.00 0.00 C ATOM 93 OD1 ASP A 6 0.333 -2.134 -4.730 1.00 0.00 O ATOM 94 OD2 ASP A 6 -0.112 -0.196 -3.794 1.00 0.00 O ATOM 0 H ASP A 6 1.996 -1.852 -7.040 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.782 -1.724 -7.031 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.465 0.102 -6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.177 0.710 -6.148 1.00 0.00 H new ATOM 99 N ASP A 7 0.470 0.774 -8.800 1.00 0.00 N ATOM 100 CA ASP A 7 0.193 1.672 -9.915 1.00 0.00 C ATOM 101 C ASP A 7 0.063 0.894 -11.221 1.00 0.00 C ATOM 102 O ASP A 7 -0.575 1.354 -12.168 1.00 0.00 O ATOM 103 CB ASP A 7 1.299 2.721 -10.040 1.00 0.00 C ATOM 104 CG ASP A 7 1.238 3.761 -8.939 1.00 0.00 C ATOM 105 OD1 ASP A 7 1.640 3.445 -7.799 1.00 0.00 O ATOM 106 OD2 ASP A 7 0.788 4.892 -9.217 1.00 0.00 O ATOM 0 H ASP A 7 1.330 0.983 -8.294 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.754 2.175 -9.717 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.270 2.226 -10.015 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.219 3.216 -11.008 1.00 0.00 H new ATOM 111 N ILE A 8 0.673 -0.286 -11.264 1.00 0.00 N ATOM 112 CA ILE A 8 0.625 -1.127 -12.453 1.00 0.00 C ATOM 113 C ILE A 8 -0.735 -1.800 -12.597 1.00 0.00 C ATOM 114 O ILE A 8 -1.216 -2.024 -13.708 1.00 0.00 O ATOM 115 CB ILE A 8 1.720 -2.210 -12.421 1.00 0.00 C ATOM 116 CG1 ILE A 8 3.066 -1.618 -12.845 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.340 -3.374 -13.323 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.215 -2.597 -12.744 1.00 0.00 C ATOM 0 H ILE A 8 1.206 -0.681 -10.489 1.00 0.00 H new ATOM 0 HA ILE A 8 0.796 -0.473 -13.308 1.00 0.00 H new ATOM 0 HB ILE A 8 1.813 -2.582 -11.401 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.990 -1.264 -13.873 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.284 -0.749 -12.224 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.124 -4.131 -13.290 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.401 -3.808 -12.980 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.223 -3.018 -14.347 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.137 -2.109 -13.060 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.317 -2.933 -11.712 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.019 -3.455 -13.387 1.00 0.00 H new ATOM 130 N LYS A 9 -1.354 -2.119 -11.465 1.00 0.00 N ATOM 131 CA LYS A 9 -2.662 -2.763 -11.462 1.00 0.00 C ATOM 132 C LYS A 9 -3.768 -1.750 -11.737 1.00 0.00 C ATOM 133 O LYS A 9 -4.847 -2.106 -12.212 1.00 0.00 O ATOM 134 CB LYS A 9 -2.910 -3.453 -10.119 1.00 0.00 C ATOM 135 CG LYS A 9 -3.647 -2.583 -9.115 1.00 0.00 C ATOM 136 CD LYS A 9 -3.310 -2.974 -7.686 1.00 0.00 C ATOM 137 CE LYS A 9 -3.820 -1.942 -6.691 1.00 0.00 C ATOM 138 NZ LYS A 9 -4.862 -2.508 -5.790 1.00 0.00 N ATOM 0 H LYS A 9 -0.970 -1.942 -10.537 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.673 -3.510 -12.255 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.484 -4.364 -10.289 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.953 -3.754 -9.693 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.387 -1.537 -9.278 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.722 -2.673 -9.274 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.748 -3.946 -7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.230 -3.079 -7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.987 -1.570 -6.094 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.231 -1.089 -7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.184 -1.774 -5.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.668 -2.840 -6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.463 -3.306 -5.256 1.00 0.00 H new ATOM 152 N LYS A 10 -3.494 -0.485 -11.437 1.00 0.00 N ATOM 153 CA LYS A 10 -4.464 0.582 -11.654 1.00 0.00 C ATOM 154 C LYS A 10 -4.462 1.030 -13.112 1.00 0.00 C ATOM 155 O LYS A 10 -5.490 1.453 -13.642 1.00 0.00 O ATOM 156 CB LYS A 10 -4.157 1.772 -10.743 1.00 0.00 C ATOM 157 CG LYS A 10 -3.226 2.794 -11.371 1.00 0.00 C ATOM 158 CD LYS A 10 -3.999 3.873 -12.111 1.00 0.00 C ATOM 159 CE LYS A 10 -4.433 4.990 -11.173 1.00 0.00 C ATOM 160 NZ LYS A 10 -4.810 6.224 -11.916 1.00 0.00 N ATOM 0 H LYS A 10 -2.607 -0.173 -11.042 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.454 0.194 -11.413 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.092 2.263 -10.473 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.710 1.406 -9.819 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.612 3.252 -10.596 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.547 2.293 -12.061 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.379 4.285 -12.907 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.876 3.433 -12.585 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.280 4.653 -10.575 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.623 5.217 -10.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.099 6.961 -11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.995 6.560 -12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.600 6.014 -12.559 1.00 0.00 H new ATOM 174 N ILE A 11 -3.303 0.933 -13.755 1.00 0.00 N ATOM 175 CA ILE A 11 -3.170 1.326 -15.152 1.00 0.00 C ATOM 176 C ILE A 11 -3.710 0.245 -16.081 1.00 0.00 C ATOM 177 O ILE A 11 -4.322 0.543 -17.107 1.00 0.00 O ATOM 178 CB ILE A 11 -1.702 1.616 -15.518 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.825 0.404 -15.197 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.205 2.848 -14.776 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.625 0.588 -15.586 1.00 0.00 C ATOM 0 H ILE A 11 -2.443 0.586 -13.331 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.755 2.237 -15.281 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.641 1.811 -16.589 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.883 0.197 -14.128 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -1.223 -0.470 -15.713 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.166 3.040 -15.045 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.816 3.708 -15.049 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.276 2.679 -13.702 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.187 -0.310 -15.329 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.694 0.765 -16.659 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.040 1.442 -15.050 1.00 0.00 H new ATOM 193 N ILE A 12 -3.480 -1.012 -15.715 1.00 0.00 N ATOM 194 CA ILE A 12 -3.946 -2.138 -16.514 1.00 0.00 C ATOM 195 C ILE A 12 -5.440 -2.371 -16.317 1.00 0.00 C ATOM 196 O ILE A 12 -6.140 -2.792 -17.238 1.00 0.00 O ATOM 197 CB ILE A 12 -3.185 -3.430 -16.163 1.00 0.00 C ATOM 198 CG1 ILE A 12 -3.488 -3.851 -14.723 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.690 -3.235 -16.360 1.00 0.00 C ATOM 200 CD1 ILE A 12 -2.754 -5.101 -14.292 1.00 0.00 C ATOM 0 H ILE A 12 -2.973 -1.276 -14.870 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.755 -1.886 -17.557 1.00 0.00 H new ATOM 0 HB ILE A 12 -3.519 -4.223 -16.832 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.224 -3.034 -14.051 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.561 -4.015 -14.619 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.166 -4.157 -16.108 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.491 -2.977 -17.400 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.340 -2.430 -15.713 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.017 -5.340 -13.261 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.037 -5.931 -14.940 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.679 -4.935 -14.363 1.00 0.00 H new ATOM 212 N SER A 13 -5.923 -2.093 -15.110 1.00 0.00 N ATOM 213 CA SER A 13 -7.334 -2.274 -14.791 1.00 0.00 C ATOM 214 C SER A 13 -8.187 -1.213 -15.480 1.00 0.00 C ATOM 215 O SER A 13 -9.282 -1.498 -15.966 1.00 0.00 O ATOM 216 CB SER A 13 -7.548 -2.214 -13.278 1.00 0.00 C ATOM 217 OG SER A 13 -7.165 -0.952 -12.758 1.00 0.00 O ATOM 0 H SER A 13 -5.358 -1.742 -14.337 1.00 0.00 H new ATOM 0 HA SER A 13 -7.641 -3.254 -15.155 1.00 0.00 H new ATOM 0 HB2 SER A 13 -8.597 -2.402 -13.048 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.969 -3.001 -12.794 1.00 0.00 H new ATOM 0 HG SER A 13 -6.196 -0.938 -12.613 1.00 0.00 H new ATOM 223 N LYS A 14 -7.678 0.014 -15.517 1.00 0.00 N ATOM 224 CA LYS A 14 -8.391 1.120 -16.146 1.00 0.00 C ATOM 225 C LYS A 14 -8.199 1.099 -17.659 1.00 0.00 C ATOM 226 O LYS A 14 -9.034 1.610 -18.405 1.00 0.00 O ATOM 227 CB LYS A 14 -7.905 2.455 -15.578 1.00 0.00 C ATOM 228 CG LYS A 14 -8.583 3.663 -16.201 1.00 0.00 C ATOM 229 CD LYS A 14 -7.694 4.327 -17.240 1.00 0.00 C ATOM 230 CE LYS A 14 -6.804 5.390 -16.615 1.00 0.00 C ATOM 231 NZ LYS A 14 -5.360 5.113 -16.851 1.00 0.00 N ATOM 0 H LYS A 14 -6.774 0.268 -15.119 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.453 1.006 -15.930 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.077 2.467 -14.502 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.829 2.535 -15.729 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.520 3.356 -16.665 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.834 4.383 -15.422 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.075 3.573 -17.726 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.313 4.779 -18.015 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.059 6.366 -17.028 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.994 5.438 -15.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.787 5.860 -16.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.110 4.193 -16.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.173 5.092 -17.874 1.00 0.00 H new ATOM 245 N GLN A 15 -7.097 0.505 -18.104 1.00 0.00 N ATOM 246 CA GLN A 15 -6.798 0.418 -19.528 1.00 0.00 C ATOM 247 C GLN A 15 -7.653 -0.651 -20.200 1.00 0.00 C ATOM 248 O GLN A 15 -8.467 -0.352 -21.075 1.00 0.00 O ATOM 249 CB GLN A 15 -5.315 0.110 -19.742 1.00 0.00 C ATOM 250 CG GLN A 15 -4.937 -0.076 -21.202 1.00 0.00 C ATOM 251 CD GLN A 15 -5.112 1.191 -22.017 1.00 0.00 C ATOM 252 OE1 GLN A 15 -5.217 2.287 -21.466 1.00 0.00 O ATOM 253 NE2 GLN A 15 -5.146 1.047 -23.336 1.00 0.00 N ATOM 0 H GLN A 15 -6.396 0.077 -17.499 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.031 1.382 -19.981 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.720 0.921 -19.322 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.057 -0.794 -19.190 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.899 -0.404 -21.266 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.549 -0.868 -21.634 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.055 0.119 -23.750 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.263 1.864 -23.935 1.00 0.00 H new ATOM 262 N LEU A 16 -7.465 -1.899 -19.785 1.00 0.00 N ATOM 263 CA LEU A 16 -8.219 -3.014 -20.347 1.00 0.00 C ATOM 264 C LEU A 16 -9.248 -3.534 -19.348 1.00 0.00 C ATOM 265 O LEU A 16 -10.454 -3.400 -19.557 1.00 0.00 O ATOM 266 CB LEU A 16 -7.271 -4.144 -20.753 1.00 0.00 C ATOM 267 CG LEU A 16 -5.923 -3.713 -21.332 1.00 0.00 C ATOM 268 CD1 LEU A 16 -4.908 -3.498 -20.220 1.00 0.00 C ATOM 269 CD2 LEU A 16 -5.415 -4.746 -22.328 1.00 0.00 C ATOM 0 H LEU A 16 -6.797 -2.164 -19.061 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.746 -2.655 -21.231 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -7.086 -4.768 -19.879 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.777 -4.769 -21.489 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.061 -2.768 -21.858 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.955 -3.192 -20.651 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.267 -2.721 -19.545 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.773 -4.427 -19.666 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.455 -4.423 -22.730 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.294 -5.706 -21.826 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.132 -4.850 -23.142 1.00 0.00 H new ATOM 281 N SER A 17 -8.763 -4.125 -18.260 1.00 0.00 N ATOM 282 CA SER A 17 -9.641 -4.666 -17.229 1.00 0.00 C ATOM 283 C SER A 17 -8.831 -5.334 -16.122 1.00 0.00 C ATOM 284 O SER A 17 -9.031 -5.059 -14.938 1.00 0.00 O ATOM 285 CB SER A 17 -10.619 -5.672 -17.838 1.00 0.00 C ATOM 286 OG SER A 17 -11.070 -6.599 -16.865 1.00 0.00 O ATOM 0 H SER A 17 -7.768 -4.241 -18.070 1.00 0.00 H new ATOM 0 HA SER A 17 -10.204 -3.839 -16.796 1.00 0.00 H new ATOM 0 HB2 SER A 17 -11.472 -5.143 -18.263 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.135 -6.205 -18.656 1.00 0.00 H new ATOM 0 HG SER A 17 -11.695 -7.230 -17.279 1.00 0.00 H new ATOM 292 N VAL A 18 -7.915 -6.212 -16.515 1.00 0.00 N ATOM 293 CA VAL A 18 -7.073 -6.919 -15.557 1.00 0.00 C ATOM 294 C VAL A 18 -6.128 -7.885 -16.264 1.00 0.00 C ATOM 295 O VAL A 18 -6.497 -8.517 -17.253 1.00 0.00 O ATOM 296 CB VAL A 18 -7.919 -7.702 -14.536 1.00 0.00 C ATOM 297 CG1 VAL A 18 -8.975 -8.537 -15.245 1.00 0.00 C ATOM 298 CG2 VAL A 18 -7.030 -8.577 -13.667 1.00 0.00 C ATOM 0 H VAL A 18 -7.737 -6.451 -17.490 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.490 -6.163 -15.031 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.429 -6.988 -13.890 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.563 -9.083 -14.507 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.631 -7.883 -15.819 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.489 -9.244 -15.917 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.645 -9.123 -12.951 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.490 -9.285 -14.296 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.317 -7.951 -13.130 1.00 0.00 H new ATOM 308 N GLU A 19 -4.907 -7.994 -15.749 1.00 0.00 N ATOM 309 CA GLU A 19 -3.909 -8.883 -16.332 1.00 0.00 C ATOM 310 C GLU A 19 -2.803 -9.191 -15.327 1.00 0.00 C ATOM 311 O GLU A 19 -1.644 -9.372 -15.702 1.00 0.00 O ATOM 312 CB GLU A 19 -3.310 -8.256 -17.592 1.00 0.00 C ATOM 313 CG GLU A 19 -2.719 -6.875 -17.363 1.00 0.00 C ATOM 314 CD GLU A 19 -2.046 -6.316 -18.602 1.00 0.00 C ATOM 315 OE1 GLU A 19 -1.331 -7.080 -19.284 1.00 0.00 O ATOM 316 OE2 GLU A 19 -2.234 -5.115 -18.889 1.00 0.00 O ATOM 0 H GLU A 19 -4.586 -7.478 -14.930 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.403 -9.817 -16.600 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.533 -8.914 -17.981 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -4.084 -8.189 -18.357 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.508 -6.194 -17.044 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.994 -6.924 -16.551 1.00 0.00 H new ATOM 323 N GLU A 20 -3.169 -9.249 -14.051 1.00 0.00 N ATOM 324 CA GLU A 20 -2.207 -9.534 -12.993 1.00 0.00 C ATOM 325 C GLU A 20 -1.796 -11.004 -13.012 1.00 0.00 C ATOM 326 O GLU A 20 -0.740 -11.371 -12.497 1.00 0.00 O ATOM 327 CB GLU A 20 -2.797 -9.176 -11.627 1.00 0.00 C ATOM 328 CG GLU A 20 -3.838 -10.168 -11.135 1.00 0.00 C ATOM 329 CD GLU A 20 -4.890 -9.520 -10.255 1.00 0.00 C ATOM 330 OE1 GLU A 20 -4.636 -8.409 -9.746 1.00 0.00 O ATOM 331 OE2 GLU A 20 -5.967 -10.126 -10.077 1.00 0.00 O ATOM 0 H GLU A 20 -4.124 -9.103 -13.725 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.321 -8.925 -13.169 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.990 -9.116 -10.896 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.249 -8.186 -11.684 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.324 -10.635 -11.992 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.342 -10.963 -10.578 1.00 0.00 H new ATOM 338 N ASP A 21 -2.638 -11.839 -13.611 1.00 0.00 N ATOM 339 CA ASP A 21 -2.363 -13.268 -13.699 1.00 0.00 C ATOM 340 C ASP A 21 -1.594 -13.596 -14.975 1.00 0.00 C ATOM 341 O ASP A 21 -1.909 -14.561 -15.672 1.00 0.00 O ATOM 342 CB ASP A 21 -3.669 -14.064 -13.657 1.00 0.00 C ATOM 343 CG ASP A 21 -3.434 -15.555 -13.518 1.00 0.00 C ATOM 344 OD1 ASP A 21 -2.339 -15.943 -13.060 1.00 0.00 O ATOM 345 OD2 ASP A 21 -4.345 -16.335 -13.869 1.00 0.00 O ATOM 0 H ASP A 21 -3.516 -11.551 -14.043 1.00 0.00 H new ATOM 0 HA ASP A 21 -1.748 -13.548 -12.844 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.277 -13.716 -12.822 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.238 -13.872 -14.567 1.00 0.00 H new ATOM 350 N LYS A 22 -0.585 -12.787 -15.276 1.00 0.00 N ATOM 351 CA LYS A 22 0.231 -12.990 -16.467 1.00 0.00 C ATOM 352 C LYS A 22 1.288 -11.898 -16.595 1.00 0.00 C ATOM 353 O LYS A 22 2.386 -12.141 -17.097 1.00 0.00 O ATOM 354 CB LYS A 22 -0.652 -13.009 -17.717 1.00 0.00 C ATOM 355 CG LYS A 22 -1.829 -12.050 -17.645 1.00 0.00 C ATOM 356 CD LYS A 22 -1.961 -11.233 -18.920 1.00 0.00 C ATOM 357 CE LYS A 22 -2.072 -12.127 -20.146 1.00 0.00 C ATOM 358 NZ LYS A 22 -3.185 -11.705 -21.041 1.00 0.00 N ATOM 0 H LYS A 22 -0.312 -11.983 -14.711 1.00 0.00 H new ATOM 0 HA LYS A 22 0.737 -13.951 -16.372 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.043 -12.759 -18.586 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.027 -14.021 -17.871 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.747 -12.612 -17.475 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -1.703 -11.381 -16.794 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.841 -10.593 -18.854 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.097 -10.577 -19.024 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.133 -12.104 -20.699 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.231 -13.158 -19.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.228 -12.339 -21.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.085 -11.751 -20.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.021 -10.730 -21.363 1.00 0.00 H new ATOM 372 N ILE A 23 0.951 -10.697 -16.138 1.00 0.00 N ATOM 373 CA ILE A 23 1.873 -9.570 -16.200 1.00 0.00 C ATOM 374 C ILE A 23 3.041 -9.762 -15.238 1.00 0.00 C ATOM 375 O ILE A 23 4.159 -9.328 -15.512 1.00 0.00 O ATOM 376 CB ILE A 23 1.163 -8.243 -15.869 1.00 0.00 C ATOM 377 CG1 ILE A 23 0.530 -7.651 -17.130 1.00 0.00 C ATOM 378 CG2 ILE A 23 2.143 -7.259 -15.249 1.00 0.00 C ATOM 379 CD1 ILE A 23 1.541 -7.244 -18.179 1.00 0.00 C ATOM 0 H ILE A 23 0.046 -10.479 -15.721 1.00 0.00 H new ATOM 0 HA ILE A 23 2.250 -9.526 -17.222 1.00 0.00 H new ATOM 0 HB ILE A 23 0.371 -8.441 -15.146 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.154 -8.382 -17.561 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.065 -6.781 -16.854 1.00 0.00 H new ATOM 0 HG21 ILE A 23 1.627 -6.326 -15.021 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.551 -7.682 -14.331 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.954 -7.063 -15.950 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.022 -6.833 -19.045 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.211 -6.490 -17.766 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.120 -8.116 -18.484 1.00 0.00 H new ATOM 391 N GLN A 24 2.772 -10.416 -14.113 1.00 0.00 N ATOM 392 CA GLN A 24 3.802 -10.666 -13.111 1.00 0.00 C ATOM 393 C GLN A 24 4.500 -11.998 -13.370 1.00 0.00 C ATOM 394 O GLN A 24 4.726 -12.780 -12.447 1.00 0.00 O ATOM 395 CB GLN A 24 3.192 -10.661 -11.709 1.00 0.00 C ATOM 396 CG GLN A 24 2.056 -11.657 -11.536 1.00 0.00 C ATOM 397 CD GLN A 24 2.486 -12.909 -10.797 1.00 0.00 C ATOM 398 OE1 GLN A 24 2.987 -12.840 -9.674 1.00 0.00 O ATOM 399 NE2 GLN A 24 2.292 -14.063 -11.424 1.00 0.00 N ATOM 0 H GLN A 24 1.851 -10.782 -13.872 1.00 0.00 H new ATOM 0 HA GLN A 24 4.542 -9.868 -13.180 1.00 0.00 H new ATOM 0 HB2 GLN A 24 3.973 -10.883 -10.981 1.00 0.00 H new ATOM 0 HB3 GLN A 24 2.823 -9.660 -11.486 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.240 -11.181 -10.992 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.668 -11.933 -12.516 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.873 -14.074 -12.354 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.561 -14.939 -10.976 1.00 0.00 H new ATOM 408 N MET A 25 4.840 -12.248 -14.630 1.00 0.00 N ATOM 409 CA MET A 25 5.513 -13.484 -15.009 1.00 0.00 C ATOM 410 C MET A 25 7.009 -13.398 -14.726 1.00 0.00 C ATOM 411 O MET A 25 7.754 -14.343 -14.980 1.00 0.00 O ATOM 412 CB MET A 25 5.279 -13.784 -16.491 1.00 0.00 C ATOM 413 CG MET A 25 4.211 -14.837 -16.736 1.00 0.00 C ATOM 414 SD MET A 25 4.905 -16.444 -17.169 1.00 0.00 S ATOM 415 CE MET A 25 3.883 -16.889 -18.570 1.00 0.00 C ATOM 0 H MET A 25 4.660 -11.611 -15.406 1.00 0.00 H new ATOM 0 HA MET A 25 5.094 -14.294 -14.411 1.00 0.00 H new ATOM 0 HB2 MET A 25 4.993 -12.863 -16.999 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.216 -14.117 -16.938 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.596 -14.940 -15.842 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.553 -14.502 -17.538 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.119 -17.906 -18.884 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.832 -16.831 -18.287 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.075 -16.201 -19.394 1.00 0.00 H new ATOM 425 N ASN A 26 7.442 -12.257 -14.198 1.00 0.00 N ATOM 426 CA ASN A 26 8.850 -12.047 -13.881 1.00 0.00 C ATOM 427 C ASN A 26 9.712 -12.155 -15.136 1.00 0.00 C ATOM 428 O ASN A 26 10.921 -12.372 -15.054 1.00 0.00 O ATOM 429 CB ASN A 26 9.317 -13.065 -12.839 1.00 0.00 C ATOM 430 CG ASN A 26 9.634 -12.421 -11.503 1.00 0.00 C ATOM 431 OD1 ASN A 26 10.779 -12.057 -11.233 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.618 -12.277 -10.660 1.00 0.00 N ATOM 0 H ASN A 26 6.838 -11.464 -13.981 1.00 0.00 H new ATOM 0 HA ASN A 26 8.959 -11.043 -13.472 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.543 -13.820 -12.701 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.203 -13.580 -13.210 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.770 -11.850 -9.746 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.686 -12.593 -10.926 1.00 0.00 H new ATOM 439 N SER A 27 9.081 -12.002 -16.295 1.00 0.00 N ATOM 440 CA SER A 27 9.789 -12.085 -17.567 1.00 0.00 C ATOM 441 C SER A 27 9.668 -10.777 -18.343 1.00 0.00 C ATOM 442 O SER A 27 10.594 -9.967 -18.363 1.00 0.00 O ATOM 443 CB SER A 27 9.240 -13.241 -18.406 1.00 0.00 C ATOM 444 OG SER A 27 9.796 -13.235 -19.709 1.00 0.00 O ATOM 0 H SER A 27 8.081 -11.820 -16.380 1.00 0.00 H new ATOM 0 HA SER A 27 10.843 -12.266 -17.356 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.464 -14.188 -17.916 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.155 -13.164 -18.470 1.00 0.00 H new ATOM 0 HG SER A 27 9.430 -13.984 -20.224 1.00 0.00 H new ATOM 450 N ASN A 28 8.519 -10.579 -18.982 1.00 0.00 N ATOM 451 CA ASN A 28 8.276 -9.370 -19.760 1.00 0.00 C ATOM 452 C ASN A 28 6.807 -8.965 -19.692 1.00 0.00 C ATOM 453 O ASN A 28 5.959 -9.739 -19.248 1.00 0.00 O ATOM 454 CB ASN A 28 8.691 -9.584 -21.217 1.00 0.00 C ATOM 455 CG ASN A 28 10.144 -9.226 -21.464 1.00 0.00 C ATOM 456 OD1 ASN A 28 10.485 -8.057 -21.644 1.00 0.00 O ATOM 457 ND2 ASN A 28 11.008 -10.235 -21.473 1.00 0.00 N ATOM 0 H ASN A 28 7.742 -11.240 -18.976 1.00 0.00 H new ATOM 0 HA ASN A 28 8.876 -8.566 -19.333 1.00 0.00 H new ATOM 0 HB2 ASN A 28 8.525 -10.626 -21.490 1.00 0.00 H new ATOM 0 HB3 ASN A 28 8.056 -8.980 -21.865 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.999 -10.056 -21.634 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.680 -11.189 -21.319 1.00 0.00 H new ATOM 464 N PHE A 29 6.513 -7.748 -20.136 1.00 0.00 N ATOM 465 CA PHE A 29 5.146 -7.239 -20.126 1.00 0.00 C ATOM 466 C PHE A 29 4.435 -7.562 -21.437 1.00 0.00 C ATOM 467 O PHE A 29 3.291 -8.018 -21.441 1.00 0.00 O ATOM 468 CB PHE A 29 5.144 -5.727 -19.890 1.00 0.00 C ATOM 469 CG PHE A 29 4.646 -5.334 -18.529 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.355 -5.681 -17.390 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.469 -4.616 -18.388 1.00 0.00 C ATOM 472 CE1 PHE A 29 4.900 -5.320 -16.136 1.00 0.00 C ATOM 473 CE2 PHE A 29 3.010 -4.252 -17.136 1.00 0.00 C ATOM 474 CZ PHE A 29 3.725 -4.605 -16.009 1.00 0.00 C ATOM 0 H PHE A 29 7.203 -7.095 -20.508 1.00 0.00 H new ATOM 0 HA PHE A 29 4.609 -7.727 -19.313 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.156 -5.345 -20.022 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.522 -5.250 -20.647 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.274 -6.240 -17.483 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.904 -4.338 -19.266 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.462 -5.597 -15.256 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.092 -3.691 -17.039 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.366 -4.323 -15.030 1.00 0.00 H new ATOM 484 N THR A 30 5.122 -7.322 -22.550 1.00 0.00 N ATOM 485 CA THR A 30 4.557 -7.585 -23.867 1.00 0.00 C ATOM 486 C THR A 30 5.403 -8.593 -24.637 1.00 0.00 C ATOM 487 O THR A 30 5.040 -9.014 -25.735 1.00 0.00 O ATOM 488 CB THR A 30 4.439 -6.292 -24.696 1.00 0.00 C ATOM 489 OG1 THR A 30 3.970 -6.597 -26.015 1.00 0.00 O ATOM 490 CG2 THR A 30 5.781 -5.580 -24.782 1.00 0.00 C ATOM 0 H THR A 30 6.070 -6.946 -22.565 1.00 0.00 H new ATOM 0 HA THR A 30 3.561 -7.998 -23.707 1.00 0.00 H new ATOM 0 HB THR A 30 3.727 -5.632 -24.201 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.067 -7.558 -26.183 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.673 -4.670 -25.372 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.122 -5.324 -23.779 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.511 -6.236 -25.257 1.00 0.00 H new ATOM 498 N LYS A 31 6.533 -8.978 -24.053 1.00 0.00 N ATOM 499 CA LYS A 31 7.431 -9.939 -24.682 1.00 0.00 C ATOM 500 C LYS A 31 7.219 -11.337 -24.110 1.00 0.00 C ATOM 501 O LYS A 31 7.558 -12.336 -24.745 1.00 0.00 O ATOM 502 CB LYS A 31 8.887 -9.511 -24.487 1.00 0.00 C ATOM 503 CG LYS A 31 9.054 -8.025 -24.225 1.00 0.00 C ATOM 504 CD LYS A 31 10.479 -7.568 -24.493 1.00 0.00 C ATOM 505 CE LYS A 31 10.672 -7.172 -25.949 1.00 0.00 C ATOM 506 NZ LYS A 31 11.972 -6.479 -26.167 1.00 0.00 N ATOM 0 H LYS A 31 6.849 -8.639 -23.144 1.00 0.00 H new ATOM 0 HA LYS A 31 7.206 -9.965 -25.748 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.312 -10.069 -23.652 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.458 -9.781 -25.375 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.366 -7.464 -24.857 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.789 -7.805 -23.191 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.718 -6.721 -23.850 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.173 -8.368 -24.237 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.625 -8.062 -26.577 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.856 -6.519 -26.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.066 -6.225 -27.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.007 -5.616 -25.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.752 -7.111 -25.895 1.00 0.00 H new ATOM 520 N ASP A 32 6.656 -11.400 -22.909 1.00 0.00 N ATOM 521 CA ASP A 32 6.397 -12.676 -22.252 1.00 0.00 C ATOM 522 C ASP A 32 4.984 -13.166 -22.554 1.00 0.00 C ATOM 523 O ASP A 32 4.793 -14.276 -23.052 1.00 0.00 O ATOM 524 CB ASP A 32 6.593 -12.546 -20.741 1.00 0.00 C ATOM 525 CG ASP A 32 6.211 -13.810 -19.996 1.00 0.00 C ATOM 526 OD1 ASP A 32 7.027 -14.756 -19.975 1.00 0.00 O ATOM 527 OD2 ASP A 32 5.098 -13.853 -19.433 1.00 0.00 O ATOM 0 H ASP A 32 6.370 -10.583 -22.370 1.00 0.00 H new ATOM 0 HA ASP A 32 7.107 -13.407 -22.640 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.636 -12.306 -20.532 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.994 -11.714 -20.370 1.00 0.00 H new ATOM 532 N LEU A 33 3.997 -12.331 -22.248 1.00 0.00 N ATOM 533 CA LEU A 33 2.600 -12.678 -22.486 1.00 0.00 C ATOM 534 C LEU A 33 2.140 -12.183 -23.853 1.00 0.00 C ATOM 535 O LEU A 33 1.415 -12.877 -24.564 1.00 0.00 O ATOM 536 CB LEU A 33 1.713 -12.083 -21.391 1.00 0.00 C ATOM 537 CG LEU A 33 1.863 -10.581 -21.148 1.00 0.00 C ATOM 538 CD1 LEU A 33 0.685 -9.824 -21.741 1.00 0.00 C ATOM 539 CD2 LEU A 33 1.990 -10.291 -19.659 1.00 0.00 C ATOM 0 H LEU A 33 4.138 -11.409 -21.835 1.00 0.00 H new ATOM 0 HA LEU A 33 2.513 -13.764 -22.466 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.672 -12.288 -21.643 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.924 -12.605 -20.457 1.00 0.00 H new ATOM 0 HG LEU A 33 2.773 -10.242 -21.643 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.809 -8.757 -21.558 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.639 -10.005 -22.815 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.239 -10.167 -21.276 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.096 -9.217 -19.505 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.098 -10.645 -19.142 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.867 -10.803 -19.262 1.00 0.00 H new ATOM 551 N GLY A 34 2.571 -10.978 -24.216 1.00 0.00 N ATOM 552 CA GLY A 34 2.196 -10.412 -25.499 1.00 0.00 C ATOM 553 C GLY A 34 0.742 -9.984 -25.540 1.00 0.00 C ATOM 554 O GLY A 34 -0.039 -10.491 -26.345 1.00 0.00 O ATOM 0 H GLY A 34 3.173 -10.384 -23.645 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.831 -9.552 -25.713 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.378 -11.146 -26.284 1.00 0.00 H new ATOM 558 N ALA A 35 0.378 -9.048 -24.670 1.00 0.00 N ATOM 559 CA ALA A 35 -0.992 -8.551 -24.611 1.00 0.00 C ATOM 560 C ALA A 35 -1.311 -7.675 -25.817 1.00 0.00 C ATOM 561 O ALA A 35 -1.999 -8.104 -26.743 1.00 0.00 O ATOM 562 CB ALA A 35 -1.217 -7.778 -23.320 1.00 0.00 C ATOM 0 H ALA A 35 1.012 -8.618 -23.996 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.665 -9.408 -24.631 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.243 -7.413 -23.289 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.039 -8.434 -22.468 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.530 -6.933 -23.277 1.00 0.00 H new ATOM 568 N ASP A 36 -0.806 -6.447 -25.800 1.00 0.00 N ATOM 569 CA ASP A 36 -1.037 -5.510 -26.894 1.00 0.00 C ATOM 570 C ASP A 36 -0.109 -4.304 -26.782 1.00 0.00 C ATOM 571 O ASP A 36 0.054 -3.690 -25.729 1.00 0.00 O ATOM 572 CB ASP A 36 -2.495 -5.048 -26.898 1.00 0.00 C ATOM 573 CG ASP A 36 -3.242 -5.501 -28.137 1.00 0.00 C ATOM 574 OD1 ASP A 36 -3.616 -6.691 -28.203 1.00 0.00 O ATOM 575 OD2 ASP A 36 -3.454 -4.666 -29.041 1.00 0.00 O ATOM 0 H ASP A 36 -0.234 -6.077 -25.041 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.824 -6.024 -27.831 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.998 -5.435 -26.012 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.529 -3.960 -26.834 1.00 0.00 H new ATOM 580 N SER A 37 0.532 -3.943 -27.907 1.00 0.00 N ATOM 581 CA SER A 37 1.486 -2.819 -28.046 1.00 0.00 C ATOM 582 C SER A 37 0.896 -1.478 -27.575 1.00 0.00 C ATOM 583 O SER A 37 1.516 -0.728 -26.820 1.00 0.00 O ATOM 584 CB SER A 37 1.908 -2.768 -29.523 1.00 0.00 C ATOM 585 OG SER A 37 0.805 -2.418 -30.361 1.00 0.00 O ATOM 0 H SER A 37 0.397 -4.445 -28.784 1.00 0.00 H new ATOM 0 HA SER A 37 2.350 -2.986 -27.402 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.710 -2.041 -29.650 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.305 -3.737 -29.825 1.00 0.00 H new ATOM 0 HG SER A 37 1.100 -2.391 -31.295 1.00 0.00 H new ATOM 590 N LEU A 38 -0.316 -1.196 -28.039 1.00 0.00 N ATOM 591 CA LEU A 38 -1.004 0.039 -27.682 1.00 0.00 C ATOM 592 C LEU A 38 -1.422 0.025 -26.215 1.00 0.00 C ATOM 593 O LEU A 38 -1.282 1.024 -25.510 1.00 0.00 O ATOM 594 CB LEU A 38 -2.232 0.239 -28.572 1.00 0.00 C ATOM 595 CG LEU A 38 -2.068 -0.157 -30.040 1.00 0.00 C ATOM 596 CD1 LEU A 38 -2.611 -1.557 -30.279 1.00 0.00 C ATOM 597 CD2 LEU A 38 -2.765 0.849 -30.944 1.00 0.00 C ATOM 0 H LEU A 38 -0.843 -1.806 -28.664 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.313 0.868 -27.836 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.058 -0.335 -28.152 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.520 1.290 -28.530 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.005 -0.156 -30.280 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.486 -1.822 -31.329 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.067 -2.269 -29.658 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.670 -1.585 -30.022 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.638 0.552 -31.985 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.827 0.880 -30.702 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.329 1.837 -30.793 1.00 0.00 H new ATOM 609 N ASP A 39 -1.933 -1.114 -25.762 1.00 0.00 N ATOM 610 CA ASP A 39 -2.368 -1.260 -24.378 1.00 0.00 C ATOM 611 C ASP A 39 -1.192 -1.106 -23.419 1.00 0.00 C ATOM 612 O ASP A 39 -1.206 -0.250 -22.534 1.00 0.00 O ATOM 613 CB ASP A 39 -3.036 -2.621 -24.172 1.00 0.00 C ATOM 614 CG ASP A 39 -4.375 -2.722 -24.875 1.00 0.00 C ATOM 615 OD1 ASP A 39 -4.924 -1.668 -25.259 1.00 0.00 O ATOM 616 OD2 ASP A 39 -4.873 -3.854 -25.042 1.00 0.00 O ATOM 0 H ASP A 39 -2.056 -1.950 -26.333 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.091 -0.473 -24.166 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.376 -3.406 -24.541 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.175 -2.796 -23.105 1.00 0.00 H new ATOM 621 N LEU A 40 -0.174 -1.941 -23.600 1.00 0.00 N ATOM 622 CA LEU A 40 1.011 -1.899 -22.751 1.00 0.00 C ATOM 623 C LEU A 40 1.571 -0.483 -22.667 1.00 0.00 C ATOM 624 O LEU A 40 1.849 0.023 -21.580 1.00 0.00 O ATOM 625 CB LEU A 40 2.081 -2.852 -23.286 1.00 0.00 C ATOM 626 CG LEU A 40 2.904 -3.596 -22.234 1.00 0.00 C ATOM 627 CD1 LEU A 40 2.340 -4.989 -22.002 1.00 0.00 C ATOM 628 CD2 LEU A 40 4.364 -3.673 -22.657 1.00 0.00 C ATOM 0 H LEU A 40 -0.146 -2.655 -24.328 1.00 0.00 H new ATOM 0 HA LEU A 40 0.721 -2.215 -21.749 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.596 -3.589 -23.926 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.764 -2.282 -23.916 1.00 0.00 H new ATOM 0 HG LEU A 40 2.846 -3.043 -21.297 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.939 -5.503 -21.250 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.310 -4.911 -21.655 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.367 -5.552 -22.935 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.935 -4.206 -21.897 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.440 -4.203 -23.606 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.763 -2.665 -22.771 1.00 0.00 H new ATOM 640 N VAL A 41 1.731 0.154 -23.823 1.00 0.00 N ATOM 641 CA VAL A 41 2.254 1.514 -23.881 1.00 0.00 C ATOM 642 C VAL A 41 1.255 2.512 -23.308 1.00 0.00 C ATOM 643 O VAL A 41 1.632 3.594 -22.860 1.00 0.00 O ATOM 644 CB VAL A 41 2.599 1.921 -25.326 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.072 3.366 -25.375 1.00 0.00 C ATOM 646 CG2 VAL A 41 3.650 0.987 -25.906 1.00 0.00 C ATOM 0 H VAL A 41 1.506 -0.250 -24.732 1.00 0.00 H new ATOM 0 HA VAL A 41 3.163 1.530 -23.280 1.00 0.00 H new ATOM 0 HB VAL A 41 1.698 1.838 -25.934 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.311 3.636 -26.404 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.283 4.020 -25.002 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.961 3.479 -24.754 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.882 1.289 -26.927 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.554 1.035 -25.299 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.268 -0.034 -25.908 1.00 0.00 H new ATOM 656 N GLU A 42 -0.021 2.139 -23.324 1.00 0.00 N ATOM 657 CA GLU A 42 -1.075 3.004 -22.805 1.00 0.00 C ATOM 658 C GLU A 42 -1.056 3.029 -21.279 1.00 0.00 C ATOM 659 O GLU A 42 -0.830 4.074 -20.667 1.00 0.00 O ATOM 660 CB GLU A 42 -2.443 2.531 -23.301 1.00 0.00 C ATOM 661 CG GLU A 42 -2.923 3.258 -24.546 1.00 0.00 C ATOM 662 CD GLU A 42 -3.605 4.574 -24.226 1.00 0.00 C ATOM 663 OE1 GLU A 42 -3.018 5.378 -23.473 1.00 0.00 O ATOM 664 OE2 GLU A 42 -4.726 4.799 -24.729 1.00 0.00 O ATOM 0 H GLU A 42 -0.350 1.245 -23.690 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.893 4.015 -23.170 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.395 1.462 -23.510 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.176 2.667 -22.506 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.074 3.444 -25.204 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.616 2.617 -25.092 1.00 0.00 H new ATOM 671 N LEU A 43 -1.294 1.873 -20.671 1.00 0.00 N ATOM 672 CA LEU A 43 -1.305 1.761 -19.217 1.00 0.00 C ATOM 673 C LEU A 43 -0.041 2.365 -18.615 1.00 0.00 C ATOM 674 O LEU A 43 -0.095 3.055 -17.596 1.00 0.00 O ATOM 675 CB LEU A 43 -1.432 0.295 -18.799 1.00 0.00 C ATOM 676 CG LEU A 43 -0.390 -0.661 -19.380 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.663 -1.001 -18.337 1.00 0.00 C ATOM 678 CD2 LEU A 43 -1.057 -1.927 -19.898 1.00 0.00 C ATOM 0 H LEU A 43 -1.482 0.999 -21.162 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.165 2.315 -18.841 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.378 0.242 -17.712 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.422 -0.060 -19.087 1.00 0.00 H new ATOM 0 HG LEU A 43 0.103 -0.165 -20.216 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.396 -1.682 -18.769 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.163 -0.088 -18.013 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.186 -1.477 -17.480 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.300 -2.596 -20.308 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.577 -2.425 -19.080 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.773 -1.668 -20.678 1.00 0.00 H new ATOM 690 N ILE A 44 1.095 2.103 -19.252 1.00 0.00 N ATOM 691 CA ILE A 44 2.372 2.625 -18.781 1.00 0.00 C ATOM 692 C ILE A 44 2.387 4.149 -18.807 1.00 0.00 C ATOM 693 O ILE A 44 2.758 4.793 -17.826 1.00 0.00 O ATOM 694 CB ILE A 44 3.544 2.096 -19.630 1.00 0.00 C ATOM 695 CG1 ILE A 44 3.701 0.586 -19.438 1.00 0.00 C ATOM 696 CG2 ILE A 44 4.831 2.819 -19.264 1.00 0.00 C ATOM 697 CD1 ILE A 44 4.548 -0.073 -20.503 1.00 0.00 C ATOM 0 H ILE A 44 1.157 1.533 -20.095 1.00 0.00 H new ATOM 0 HA ILE A 44 2.494 2.281 -17.754 1.00 0.00 H new ATOM 0 HB ILE A 44 3.328 2.289 -20.681 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.147 0.396 -18.462 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.714 0.124 -19.433 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.650 2.434 -19.872 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.713 3.887 -19.448 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.054 2.654 -18.210 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.616 -1.142 -20.304 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.092 0.086 -21.480 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.547 0.362 -20.494 1.00 0.00 H new ATOM 709 N MET A 45 1.980 4.720 -19.936 1.00 0.00 N ATOM 710 CA MET A 45 1.943 6.170 -20.089 1.00 0.00 C ATOM 711 C MET A 45 1.165 6.817 -18.948 1.00 0.00 C ATOM 712 O MET A 45 1.423 7.963 -18.580 1.00 0.00 O ATOM 713 CB MET A 45 1.313 6.547 -21.431 1.00 0.00 C ATOM 714 CG MET A 45 -0.179 6.827 -21.344 1.00 0.00 C ATOM 715 SD MET A 45 -0.544 8.573 -21.083 1.00 0.00 S ATOM 716 CE MET A 45 -0.643 9.155 -22.773 1.00 0.00 C ATOM 0 H MET A 45 1.671 4.201 -20.758 1.00 0.00 H new ATOM 0 HA MET A 45 2.968 6.540 -20.061 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.818 7.429 -21.825 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.482 5.739 -22.142 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.662 6.492 -22.262 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.607 6.244 -20.528 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.864 10.222 -22.778 1.00 0.00 H new ATOM 0 HE2 MET A 45 0.309 8.979 -23.275 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.434 8.618 -23.297 1.00 0.00 H new ATOM 726 N ALA A 46 0.211 6.077 -18.394 1.00 0.00 N ATOM 727 CA ALA A 46 -0.604 6.579 -17.294 1.00 0.00 C ATOM 728 C ALA A 46 0.133 6.457 -15.965 1.00 0.00 C ATOM 729 O ALA A 46 0.009 7.319 -15.093 1.00 0.00 O ATOM 730 CB ALA A 46 -1.929 5.833 -17.235 1.00 0.00 C ATOM 0 H ALA A 46 -0.017 5.127 -18.689 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.802 7.636 -17.474 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.527 6.218 -16.409 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.469 5.975 -18.171 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.742 4.770 -17.082 1.00 0.00 H new ATOM 736 N LEU A 47 0.900 5.383 -15.815 1.00 0.00 N ATOM 737 CA LEU A 47 1.658 5.148 -14.591 1.00 0.00 C ATOM 738 C LEU A 47 2.641 6.285 -14.332 1.00 0.00 C ATOM 739 O LEU A 47 2.808 6.727 -13.196 1.00 0.00 O ATOM 740 CB LEU A 47 2.410 3.819 -14.680 1.00 0.00 C ATOM 741 CG LEU A 47 2.630 3.083 -13.358 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.479 1.840 -13.575 1.00 0.00 C ATOM 743 CD2 LEU A 47 3.281 4.004 -12.337 1.00 0.00 C ATOM 0 H LEU A 47 1.014 4.661 -16.526 1.00 0.00 H new ATOM 0 HA LEU A 47 0.954 5.105 -13.760 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.863 3.159 -15.353 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.383 4.005 -15.136 1.00 0.00 H new ATOM 0 HG LEU A 47 1.660 2.773 -12.971 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.625 1.329 -12.624 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.974 1.172 -14.272 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.447 2.128 -13.985 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.430 3.463 -11.402 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.244 4.345 -12.717 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.636 4.864 -12.160 1.00 0.00 H new ATOM 755 N GLU A 48 3.287 6.755 -15.395 1.00 0.00 N ATOM 756 CA GLU A 48 4.252 7.842 -15.282 1.00 0.00 C ATOM 757 C GLU A 48 3.545 9.193 -15.220 1.00 0.00 C ATOM 758 O GLU A 48 3.983 10.102 -14.515 1.00 0.00 O ATOM 759 CB GLU A 48 5.224 7.816 -16.463 1.00 0.00 C ATOM 760 CG GLU A 48 4.588 8.217 -17.784 1.00 0.00 C ATOM 761 CD GLU A 48 4.567 9.719 -17.989 1.00 0.00 C ATOM 762 OE1 GLU A 48 5.614 10.362 -17.766 1.00 0.00 O ATOM 763 OE2 GLU A 48 3.504 10.252 -18.372 1.00 0.00 O ATOM 0 H GLU A 48 3.160 6.400 -16.343 1.00 0.00 H new ATOM 0 HA GLU A 48 4.812 7.702 -14.357 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.057 8.487 -16.252 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.639 6.813 -16.559 1.00 0.00 H new ATOM 0 HG2 GLU A 48 5.135 7.750 -18.603 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.568 7.834 -17.823 1.00 0.00 H new ATOM 770 N GLU A 49 2.451 9.316 -15.964 1.00 0.00 N ATOM 771 CA GLU A 49 1.684 10.557 -15.995 1.00 0.00 C ATOM 772 C GLU A 49 1.199 10.931 -14.598 1.00 0.00 C ATOM 773 O GLU A 49 1.065 12.110 -14.270 1.00 0.00 O ATOM 774 CB GLU A 49 0.490 10.421 -16.942 1.00 0.00 C ATOM 775 CG GLU A 49 -0.274 11.718 -17.148 1.00 0.00 C ATOM 776 CD GLU A 49 0.058 12.388 -18.467 1.00 0.00 C ATOM 777 OE1 GLU A 49 -0.350 11.856 -19.521 1.00 0.00 O ATOM 778 OE2 GLU A 49 0.725 13.443 -18.446 1.00 0.00 O ATOM 0 H GLU A 49 2.075 8.573 -16.553 1.00 0.00 H new ATOM 0 HA GLU A 49 2.338 11.350 -16.358 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.842 10.059 -17.908 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.191 9.666 -16.548 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.344 11.515 -17.107 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.048 12.402 -16.330 1.00 0.00 H new ATOM 785 N LYS A 50 0.937 9.919 -13.778 1.00 0.00 N ATOM 786 CA LYS A 50 0.467 10.140 -12.415 1.00 0.00 C ATOM 787 C LYS A 50 1.641 10.299 -11.454 1.00 0.00 C ATOM 788 O LYS A 50 1.667 11.220 -10.638 1.00 0.00 O ATOM 789 CB LYS A 50 -0.420 8.977 -11.965 1.00 0.00 C ATOM 790 CG LYS A 50 -0.803 9.037 -10.497 1.00 0.00 C ATOM 791 CD LYS A 50 -1.642 7.837 -10.090 1.00 0.00 C ATOM 792 CE LYS A 50 -1.175 7.253 -8.766 1.00 0.00 C ATOM 793 NZ LYS A 50 -1.977 7.764 -7.620 1.00 0.00 N ATOM 0 H LYS A 50 1.042 8.937 -14.033 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.117 11.060 -12.403 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.328 8.969 -12.569 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.100 8.039 -12.158 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.099 9.076 -9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.359 9.954 -10.302 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.688 8.134 -10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.586 7.073 -10.866 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.247 6.166 -8.803 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.124 7.498 -8.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.627 7.342 -6.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.889 8.799 -7.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.976 7.508 -7.754 1.00 0.00 H new ATOM 807 N PHE A 51 2.611 9.396 -11.558 1.00 0.00 N ATOM 808 CA PHE A 51 3.788 9.437 -10.698 1.00 0.00 C ATOM 809 C PHE A 51 4.573 10.728 -10.911 1.00 0.00 C ATOM 810 O PHE A 51 5.397 11.111 -10.082 1.00 0.00 O ATOM 811 CB PHE A 51 4.687 8.230 -10.970 1.00 0.00 C ATOM 812 CG PHE A 51 4.649 7.196 -9.880 1.00 0.00 C ATOM 813 CD1 PHE A 51 3.449 6.847 -9.281 1.00 0.00 C ATOM 814 CD2 PHE A 51 5.812 6.574 -9.456 1.00 0.00 C ATOM 815 CE1 PHE A 51 3.412 5.897 -8.277 1.00 0.00 C ATOM 816 CE2 PHE A 51 5.780 5.623 -8.453 1.00 0.00 C ATOM 817 CZ PHE A 51 4.578 5.284 -7.864 1.00 0.00 C ATOM 0 H PHE A 51 2.605 8.628 -12.229 1.00 0.00 H new ATOM 0 HA PHE A 51 3.451 9.404 -9.662 1.00 0.00 H new ATOM 0 HB2 PHE A 51 4.386 7.767 -11.910 1.00 0.00 H new ATOM 0 HB3 PHE A 51 5.714 8.573 -11.099 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.534 7.322 -9.602 1.00 0.00 H new ATOM 0 HD2 PHE A 51 6.754 6.835 -9.914 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.471 5.635 -7.816 1.00 0.00 H new ATOM 0 HE2 PHE A 51 6.694 5.146 -8.131 1.00 0.00 H new ATOM 0 HZ PHE A 51 4.550 4.540 -7.081 1.00 0.00 H new ATOM 827 N ASN A 52 4.311 11.395 -12.031 1.00 0.00 N ATOM 828 CA ASN A 52 4.993 12.642 -12.355 1.00 0.00 C ATOM 829 C ASN A 52 6.479 12.401 -12.602 1.00 0.00 C ATOM 830 O ASN A 52 7.333 12.951 -11.906 1.00 0.00 O ATOM 831 CB ASN A 52 4.810 13.657 -11.225 1.00 0.00 C ATOM 832 CG ASN A 52 5.168 15.068 -11.650 1.00 0.00 C ATOM 833 OD1 ASN A 52 5.245 15.368 -12.842 1.00 0.00 O ATOM 834 ND2 ASN A 52 5.390 15.941 -10.675 1.00 0.00 N ATOM 0 H ASN A 52 3.631 11.092 -12.729 1.00 0.00 H new ATOM 0 HA ASN A 52 4.551 13.042 -13.268 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.775 13.635 -10.885 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.430 13.368 -10.377 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.636 16.905 -10.900 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.315 15.648 -9.701 1.00 0.00 H new ATOM 841 N VAL A 53 6.782 11.576 -13.600 1.00 0.00 N ATOM 842 CA VAL A 53 8.164 11.263 -13.940 1.00 0.00 C ATOM 843 C VAL A 53 8.418 11.448 -15.432 1.00 0.00 C ATOM 844 O VAL A 53 7.531 11.866 -16.178 1.00 0.00 O ATOM 845 CB VAL A 53 8.527 9.819 -13.544 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.443 9.813 -12.329 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.268 9.008 -13.277 1.00 0.00 C ATOM 0 H VAL A 53 6.088 11.113 -14.187 1.00 0.00 H new ATOM 0 HA VAL A 53 8.792 11.954 -13.378 1.00 0.00 H new ATOM 0 HB VAL A 53 9.061 9.356 -14.374 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.689 8.785 -12.064 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.359 10.357 -12.561 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.938 10.293 -11.491 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.543 7.991 -12.999 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.705 9.467 -12.464 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.653 8.984 -14.177 1.00 0.00 H new ATOM 857 N THR A 54 9.635 11.133 -15.864 1.00 0.00 N ATOM 858 CA THR A 54 10.007 11.264 -17.267 1.00 0.00 C ATOM 859 C THR A 54 10.466 9.929 -17.841 1.00 0.00 C ATOM 860 O THR A 54 11.661 9.630 -17.861 1.00 0.00 O ATOM 861 CB THR A 54 11.127 12.305 -17.456 1.00 0.00 C ATOM 862 OG1 THR A 54 10.803 13.508 -16.750 1.00 0.00 O ATOM 863 CG2 THR A 54 11.333 12.616 -18.931 1.00 0.00 C ATOM 0 H THR A 54 10.381 10.785 -15.261 1.00 0.00 H new ATOM 0 HA THR A 54 9.117 11.598 -17.800 1.00 0.00 H new ATOM 0 HB THR A 54 12.051 11.888 -17.056 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.521 14.164 -16.874 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.128 13.353 -19.040 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.609 11.704 -19.460 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.409 13.014 -19.351 1.00 0.00 H new ATOM 871 N ILE A 55 9.512 9.132 -18.308 1.00 0.00 N ATOM 872 CA ILE A 55 9.820 7.829 -18.885 1.00 0.00 C ATOM 873 C ILE A 55 9.181 7.672 -20.261 1.00 0.00 C ATOM 874 O ILE A 55 8.252 8.399 -20.612 1.00 0.00 O ATOM 875 CB ILE A 55 9.341 6.683 -17.975 1.00 0.00 C ATOM 876 CG1 ILE A 55 9.579 7.036 -16.506 1.00 0.00 C ATOM 877 CG2 ILE A 55 10.052 5.387 -18.336 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.309 7.351 -15.747 1.00 0.00 C ATOM 0 H ILE A 55 8.519 9.365 -18.298 1.00 0.00 H new ATOM 0 HA ILE A 55 10.904 7.775 -18.982 1.00 0.00 H new ATOM 0 HB ILE A 55 8.271 6.542 -18.127 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.087 6.204 -16.018 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.248 7.895 -16.451 1.00 0.00 H new ATOM 0 HG21 ILE A 55 9.703 4.586 -17.684 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.836 5.130 -19.373 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.127 5.515 -18.210 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.554 7.592 -14.713 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.810 8.202 -16.210 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.647 6.486 -15.771 1.00 0.00 H new ATOM 890 N SER A 56 9.685 6.717 -21.036 1.00 0.00 N ATOM 891 CA SER A 56 9.165 6.465 -22.375 1.00 0.00 C ATOM 892 C SER A 56 9.850 5.255 -23.004 1.00 0.00 C ATOM 893 O SER A 56 9.260 4.180 -23.112 1.00 0.00 O ATOM 894 CB SER A 56 9.362 7.696 -23.261 1.00 0.00 C ATOM 895 OG SER A 56 8.183 8.479 -23.316 1.00 0.00 O ATOM 0 H SER A 56 10.453 6.105 -20.760 1.00 0.00 H new ATOM 0 HA SER A 56 8.099 6.254 -22.291 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.184 8.298 -22.875 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.641 7.383 -24.267 1.00 0.00 H new ATOM 0 HG SER A 56 7.874 8.670 -22.406 1.00 0.00 H new ATOM 901 N ASP A 57 11.098 5.440 -23.419 1.00 0.00 N ATOM 902 CA ASP A 57 11.865 4.365 -24.038 1.00 0.00 C ATOM 903 C ASP A 57 12.535 3.496 -22.978 1.00 0.00 C ATOM 904 O ASP A 57 13.249 2.547 -23.301 1.00 0.00 O ATOM 905 CB ASP A 57 12.920 4.941 -24.984 1.00 0.00 C ATOM 906 CG ASP A 57 13.011 4.171 -26.287 1.00 0.00 C ATOM 907 OD1 ASP A 57 13.759 3.172 -26.334 1.00 0.00 O ATOM 908 OD2 ASP A 57 12.336 4.568 -27.259 1.00 0.00 O ATOM 0 H ASP A 57 11.600 6.324 -23.338 1.00 0.00 H new ATOM 0 HA ASP A 57 11.176 3.743 -24.610 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.683 5.983 -25.197 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.892 4.930 -24.490 1.00 0.00 H new ATOM 913 N GLN A 58 12.299 3.827 -21.713 1.00 0.00 N ATOM 914 CA GLN A 58 12.882 3.078 -20.606 1.00 0.00 C ATOM 915 C GLN A 58 11.867 2.105 -20.014 1.00 0.00 C ATOM 916 O GLN A 58 12.183 0.943 -19.758 1.00 0.00 O ATOM 917 CB GLN A 58 13.382 4.034 -19.522 1.00 0.00 C ATOM 918 CG GLN A 58 14.653 3.563 -18.834 1.00 0.00 C ATOM 919 CD GLN A 58 15.899 4.216 -19.400 1.00 0.00 C ATOM 920 OE1 GLN A 58 16.766 4.675 -18.656 1.00 0.00 O ATOM 921 NE2 GLN A 58 15.995 4.260 -20.724 1.00 0.00 N ATOM 0 H GLN A 58 11.708 4.609 -21.429 1.00 0.00 H new ATOM 0 HA GLN A 58 13.726 2.506 -20.992 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.561 5.013 -19.967 1.00 0.00 H new ATOM 0 HB3 GLN A 58 12.600 4.162 -18.774 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.586 3.780 -17.768 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.737 2.481 -18.935 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.252 3.867 -21.303 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.811 4.687 -21.162 1.00 0.00 H new ATOM 930 N ASP A 59 10.648 2.587 -19.799 1.00 0.00 N ATOM 931 CA ASP A 59 9.587 1.760 -19.237 1.00 0.00 C ATOM 932 C ASP A 59 9.377 0.502 -20.075 1.00 0.00 C ATOM 933 O ASP A 59 9.287 -0.603 -19.542 1.00 0.00 O ATOM 934 CB ASP A 59 8.283 2.554 -19.152 1.00 0.00 C ATOM 935 CG ASP A 59 7.837 3.083 -20.501 1.00 0.00 C ATOM 936 OD1 ASP A 59 7.173 2.329 -21.243 1.00 0.00 O ATOM 937 OD2 ASP A 59 8.154 4.249 -20.816 1.00 0.00 O ATOM 0 H ASP A 59 10.370 3.546 -20.005 1.00 0.00 H new ATOM 0 HA ASP A 59 9.887 1.460 -18.233 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.500 1.918 -18.738 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.414 3.389 -18.463 1.00 0.00 H new ATOM 942 N ALA A 60 9.298 0.680 -21.390 1.00 0.00 N ATOM 943 CA ALA A 60 9.100 -0.440 -22.302 1.00 0.00 C ATOM 944 C ALA A 60 10.163 -1.513 -22.091 1.00 0.00 C ATOM 945 O ALA A 60 9.962 -2.677 -22.443 1.00 0.00 O ATOM 946 CB ALA A 60 9.115 0.045 -23.744 1.00 0.00 C ATOM 0 H ALA A 60 9.368 1.589 -21.847 1.00 0.00 H new ATOM 0 HA ALA A 60 8.127 -0.883 -22.090 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.966 -0.802 -24.414 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.315 0.770 -23.892 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.075 0.514 -23.960 1.00 0.00 H new ATOM 952 N LEU A 61 11.293 -1.116 -21.517 1.00 0.00 N ATOM 953 CA LEU A 61 12.388 -2.045 -21.261 1.00 0.00 C ATOM 954 C LEU A 61 12.772 -2.040 -19.784 1.00 0.00 C ATOM 955 O LEU A 61 13.898 -2.381 -19.423 1.00 0.00 O ATOM 956 CB LEU A 61 13.603 -1.680 -22.116 1.00 0.00 C ATOM 957 CG LEU A 61 14.077 -0.230 -22.025 1.00 0.00 C ATOM 958 CD1 LEU A 61 14.906 -0.017 -20.768 1.00 0.00 C ATOM 959 CD2 LEU A 61 14.876 0.149 -23.263 1.00 0.00 C ATOM 0 H LEU A 61 11.475 -0.157 -21.220 1.00 0.00 H new ATOM 0 HA LEU A 61 12.052 -3.047 -21.527 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.430 -2.330 -21.832 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.368 -1.900 -23.158 1.00 0.00 H new ATOM 0 HG LEU A 61 13.200 0.415 -21.971 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.235 1.021 -20.720 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.302 -0.247 -19.890 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.777 -0.672 -20.791 1.00 0.00 H new ATOM 0 HD21 LEU A 61 15.205 1.185 -23.181 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.746 -0.503 -23.348 1.00 0.00 H new ATOM 0 HD23 LEU A 61 14.250 0.037 -24.148 1.00 0.00 H new ATOM 971 N LYS A 62 11.827 -1.652 -18.934 1.00 0.00 N ATOM 972 CA LYS A 62 12.063 -1.606 -17.496 1.00 0.00 C ATOM 973 C LYS A 62 10.951 -2.325 -16.739 1.00 0.00 C ATOM 974 O LYS A 62 11.195 -3.321 -16.058 1.00 0.00 O ATOM 975 CB LYS A 62 12.163 -0.155 -17.021 1.00 0.00 C ATOM 976 CG LYS A 62 13.571 0.411 -17.087 1.00 0.00 C ATOM 977 CD LYS A 62 13.797 1.468 -16.019 1.00 0.00 C ATOM 978 CE LYS A 62 12.839 2.638 -16.181 1.00 0.00 C ATOM 979 NZ LYS A 62 13.352 3.871 -15.521 1.00 0.00 N ATOM 0 H LYS A 62 10.890 -1.365 -19.217 1.00 0.00 H new ATOM 0 HA LYS A 62 13.005 -2.114 -17.291 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.503 0.464 -17.629 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.803 -0.092 -15.994 1.00 0.00 H new ATOM 0 HG2 LYS A 62 14.294 -0.395 -16.962 1.00 0.00 H new ATOM 0 HG3 LYS A 62 13.744 0.845 -18.072 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.666 1.023 -15.032 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.825 1.828 -16.073 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.680 2.833 -17.242 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.870 2.375 -15.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.899 4.706 -15.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.134 3.837 -14.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.382 3.932 -15.653 1.00 0.00 H new ATOM 993 N ILE A 63 9.731 -1.814 -16.864 1.00 0.00 N ATOM 994 CA ILE A 63 8.582 -2.409 -16.193 1.00 0.00 C ATOM 995 C ILE A 63 8.330 -3.829 -16.689 1.00 0.00 C ATOM 996 O ILE A 63 7.687 -4.629 -16.011 1.00 0.00 O ATOM 997 CB ILE A 63 7.308 -1.570 -16.406 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.422 -0.233 -15.670 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.082 -2.337 -15.934 1.00 0.00 C ATOM 1000 CD1 ILE A 63 8.124 0.841 -16.472 1.00 0.00 C ATOM 0 H ILE A 63 9.513 -0.990 -17.424 1.00 0.00 H new ATOM 0 HA ILE A 63 8.817 -2.434 -15.129 1.00 0.00 H new ATOM 0 HB ILE A 63 7.198 -1.369 -17.472 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.423 0.115 -15.409 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.960 -0.387 -14.735 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.190 -1.730 -16.091 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.994 -3.265 -16.499 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.182 -2.566 -14.873 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.168 1.760 -15.888 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.136 0.514 -16.711 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.574 1.024 -17.395 1.00 0.00 H new ATOM 1012 N ASN A 64 8.844 -4.135 -17.876 1.00 0.00 N ATOM 1013 CA ASN A 64 8.676 -5.459 -18.463 1.00 0.00 C ATOM 1014 C ASN A 64 8.951 -6.550 -17.432 1.00 0.00 C ATOM 1015 O ASN A 64 8.282 -7.583 -17.410 1.00 0.00 O ATOM 1016 CB ASN A 64 9.609 -5.630 -19.663 1.00 0.00 C ATOM 1017 CG ASN A 64 11.049 -5.867 -19.248 1.00 0.00 C ATOM 1018 OD1 ASN A 64 11.657 -6.870 -19.621 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.600 -4.942 -18.471 1.00 0.00 N ATOM 0 H ASN A 64 9.380 -3.484 -18.450 1.00 0.00 H new ATOM 0 HA ASN A 64 7.643 -5.552 -18.798 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.266 -6.468 -20.270 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.556 -4.740 -20.290 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.565 -5.047 -18.159 1.00 0.00 H new ATOM 0 HD22 ASN A 64 11.058 -4.126 -18.186 1.00 0.00 H new ATOM 1026 N THR A 65 9.942 -6.312 -16.577 1.00 0.00 N ATOM 1027 CA THR A 65 10.306 -7.273 -15.544 1.00 0.00 C ATOM 1028 C THR A 65 9.927 -6.762 -14.159 1.00 0.00 C ATOM 1029 O THR A 65 10.320 -5.666 -13.761 1.00 0.00 O ATOM 1030 CB THR A 65 11.816 -7.580 -15.569 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.538 -6.543 -14.896 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.317 -7.709 -17.000 1.00 0.00 C ATOM 0 H THR A 65 10.506 -5.462 -16.580 1.00 0.00 H new ATOM 0 HA THR A 65 9.752 -8.188 -15.755 1.00 0.00 H new ATOM 0 HB THR A 65 11.981 -8.527 -15.056 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.496 -6.746 -14.915 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.385 -7.926 -16.993 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.786 -8.519 -17.500 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.140 -6.775 -17.533 1.00 0.00 H new ATOM 1040 N VAL A 66 9.160 -7.564 -13.426 1.00 0.00 N ATOM 1041 CA VAL A 66 8.728 -7.194 -12.084 1.00 0.00 C ATOM 1042 C VAL A 66 9.888 -6.630 -11.270 1.00 0.00 C ATOM 1043 O VAL A 66 9.697 -5.765 -10.416 1.00 0.00 O ATOM 1044 CB VAL A 66 8.127 -8.398 -11.335 1.00 0.00 C ATOM 1045 CG1 VAL A 66 7.775 -8.016 -9.905 1.00 0.00 C ATOM 1046 CG2 VAL A 66 6.905 -8.926 -12.071 1.00 0.00 C ATOM 0 H VAL A 66 8.825 -8.475 -13.740 1.00 0.00 H new ATOM 0 HA VAL A 66 7.961 -6.428 -12.198 1.00 0.00 H new ATOM 0 HB VAL A 66 8.873 -9.192 -11.300 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.352 -8.879 -9.391 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.675 -7.689 -9.384 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.046 -7.206 -9.914 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.493 -9.777 -11.528 1.00 0.00 H new ATOM 0 HG22 VAL A 66 6.153 -8.140 -12.139 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.192 -9.241 -13.074 1.00 0.00 H new ATOM 1056 N GLN A 67 11.090 -7.128 -11.541 1.00 0.00 N ATOM 1057 CA GLN A 67 12.282 -6.674 -10.833 1.00 0.00 C ATOM 1058 C GLN A 67 12.616 -5.232 -11.200 1.00 0.00 C ATOM 1059 O GLN A 67 12.648 -4.353 -10.338 1.00 0.00 O ATOM 1060 CB GLN A 67 13.469 -7.583 -11.155 1.00 0.00 C ATOM 1061 CG GLN A 67 14.354 -7.875 -9.954 1.00 0.00 C ATOM 1062 CD GLN A 67 15.402 -6.804 -9.727 1.00 0.00 C ATOM 1063 OE1 GLN A 67 16.589 -7.018 -9.974 1.00 0.00 O ATOM 1064 NE2 GLN A 67 14.968 -5.641 -9.253 1.00 0.00 N ATOM 0 H GLN A 67 11.265 -7.845 -12.245 1.00 0.00 H new ATOM 0 HA GLN A 67 12.079 -6.720 -9.763 1.00 0.00 H new ATOM 0 HB2 GLN A 67 13.096 -8.524 -11.559 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.071 -7.118 -11.935 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.733 -7.965 -9.063 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.847 -8.836 -10.096 1.00 0.00 H new ATOM 0 HE21 GLN A 67 13.975 -5.507 -9.062 1.00 0.00 H new ATOM 0 HE22 GLN A 67 15.628 -4.883 -9.080 1.00 0.00 H new ATOM 1073 N ASP A 68 12.866 -4.995 -12.483 1.00 0.00 N ATOM 1074 CA ASP A 68 13.197 -3.659 -12.964 1.00 0.00 C ATOM 1075 C ASP A 68 12.045 -2.691 -12.717 1.00 0.00 C ATOM 1076 O ASP A 68 12.257 -1.495 -12.519 1.00 0.00 O ATOM 1077 CB ASP A 68 13.535 -3.700 -14.455 1.00 0.00 C ATOM 1078 CG ASP A 68 14.937 -4.213 -14.718 1.00 0.00 C ATOM 1079 OD1 ASP A 68 15.581 -4.694 -13.762 1.00 0.00 O ATOM 1080 OD2 ASP A 68 15.391 -4.133 -15.878 1.00 0.00 O ATOM 0 H ASP A 68 12.846 -5.711 -13.209 1.00 0.00 H new ATOM 0 HA ASP A 68 14.068 -3.306 -12.412 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.816 -4.337 -14.970 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.433 -2.699 -14.875 1.00 0.00 H new ATOM 1085 N ALA A 69 10.824 -3.216 -12.731 1.00 0.00 N ATOM 1086 CA ALA A 69 9.638 -2.399 -12.507 1.00 0.00 C ATOM 1087 C ALA A 69 9.685 -1.725 -11.140 1.00 0.00 C ATOM 1088 O ALA A 69 9.668 -0.498 -11.042 1.00 0.00 O ATOM 1089 CB ALA A 69 8.381 -3.246 -12.637 1.00 0.00 C ATOM 0 H ALA A 69 10.631 -4.204 -12.895 1.00 0.00 H new ATOM 0 HA ALA A 69 9.617 -1.618 -13.267 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.503 -2.623 -12.467 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.333 -3.675 -13.638 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.405 -4.048 -11.899 1.00 0.00 H new ATOM 1095 N ILE A 70 9.744 -2.535 -10.088 1.00 0.00 N ATOM 1096 CA ILE A 70 9.794 -2.016 -8.727 1.00 0.00 C ATOM 1097 C ILE A 70 11.026 -1.143 -8.517 1.00 0.00 C ATOM 1098 O ILE A 70 11.019 -0.231 -7.689 1.00 0.00 O ATOM 1099 CB ILE A 70 9.803 -3.155 -7.691 1.00 0.00 C ATOM 1100 CG1 ILE A 70 10.984 -4.095 -7.943 1.00 0.00 C ATOM 1101 CG2 ILE A 70 8.490 -3.923 -7.736 1.00 0.00 C ATOM 1102 CD1 ILE A 70 11.063 -5.243 -6.962 1.00 0.00 C ATOM 0 H ILE A 70 9.758 -3.553 -10.152 1.00 0.00 H new ATOM 0 HA ILE A 70 8.897 -1.414 -8.585 1.00 0.00 H new ATOM 0 HB ILE A 70 9.914 -2.721 -6.698 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.909 -4.496 -8.954 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.910 -3.522 -7.895 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.512 -4.725 -6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.665 -3.247 -7.513 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.351 -4.348 -8.730 1.00 0.00 H new ATOM 0 HD11 ILE A 70 11.924 -5.868 -7.201 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.169 -4.851 -5.951 1.00 0.00 H new ATOM 0 HD13 ILE A 70 10.153 -5.839 -7.026 1.00 0.00 H new ATOM 1114 N ASP A 71 12.081 -1.426 -9.272 1.00 0.00 N ATOM 1115 CA ASP A 71 13.321 -0.665 -9.170 1.00 0.00 C ATOM 1116 C ASP A 71 13.225 0.636 -9.962 1.00 0.00 C ATOM 1117 O ASP A 71 13.965 1.586 -9.705 1.00 0.00 O ATOM 1118 CB ASP A 71 14.499 -1.498 -9.676 1.00 0.00 C ATOM 1119 CG ASP A 71 15.809 -0.736 -9.630 1.00 0.00 C ATOM 1120 OD1 ASP A 71 16.056 0.075 -10.546 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.587 -0.951 -8.677 1.00 0.00 O ATOM 0 H ASP A 71 12.103 -2.177 -9.962 1.00 0.00 H new ATOM 0 HA ASP A 71 13.484 -0.421 -8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.586 -2.402 -9.073 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.302 -1.815 -10.700 1.00 0.00 H new ATOM 1126 N TYR A 72 12.311 0.671 -10.925 1.00 0.00 N ATOM 1127 CA TYR A 72 12.121 1.854 -11.756 1.00 0.00 C ATOM 1128 C TYR A 72 11.285 2.902 -11.029 1.00 0.00 C ATOM 1129 O TYR A 72 11.462 4.104 -11.231 1.00 0.00 O ATOM 1130 CB TYR A 72 11.448 1.473 -13.075 1.00 0.00 C ATOM 1131 CG TYR A 72 10.197 2.270 -13.369 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.276 3.584 -13.815 1.00 0.00 C ATOM 1133 CD2 TYR A 72 8.937 1.710 -13.200 1.00 0.00 C ATOM 1134 CE1 TYR A 72 9.136 4.316 -14.084 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.792 2.434 -13.468 1.00 0.00 C ATOM 1136 CZ TYR A 72 7.896 3.737 -13.909 1.00 0.00 C ATOM 1137 OH TYR A 72 6.758 4.462 -14.176 1.00 0.00 O ATOM 0 H TYR A 72 11.690 -0.106 -11.150 1.00 0.00 H new ATOM 0 HA TYR A 72 13.102 2.281 -11.966 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.158 1.614 -13.890 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.196 0.413 -13.052 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.245 4.040 -13.954 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.851 0.691 -12.853 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.215 5.336 -14.429 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.820 1.983 -13.333 1.00 0.00 H new ATOM 0 HH TYR A 72 5.969 3.908 -14.003 1.00 0.00 H new ATOM 1147 N ILE A 73 10.372 2.438 -10.182 1.00 0.00 N ATOM 1148 CA ILE A 73 9.509 3.334 -9.423 1.00 0.00 C ATOM 1149 C ILE A 73 10.187 3.791 -8.136 1.00 0.00 C ATOM 1150 O ILE A 73 9.953 4.902 -7.661 1.00 0.00 O ATOM 1151 CB ILE A 73 8.168 2.661 -9.073 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.386 1.540 -8.054 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.503 2.121 -10.329 1.00 0.00 C ATOM 1154 CD1 ILE A 73 8.139 1.967 -6.624 1.00 0.00 C ATOM 0 H ILE A 73 10.211 1.447 -10.004 1.00 0.00 H new ATOM 0 HA ILE A 73 9.317 4.200 -10.057 1.00 0.00 H new ATOM 0 HB ILE A 73 7.509 3.407 -8.629 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.725 0.707 -8.295 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.408 1.172 -8.143 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.557 1.649 -10.065 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.318 2.940 -11.024 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.157 1.386 -10.800 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.312 1.122 -5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 73 8.818 2.780 -6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 73 7.109 2.307 -6.519 1.00 0.00 H new ATOM 1166 N GLU A 74 11.029 2.927 -7.578 1.00 0.00 N ATOM 1167 CA GLU A 74 11.742 3.244 -6.346 1.00 0.00 C ATOM 1168 C GLU A 74 12.916 4.179 -6.621 1.00 0.00 C ATOM 1169 O GLU A 74 13.246 5.038 -5.803 1.00 0.00 O ATOM 1170 CB GLU A 74 12.243 1.962 -5.676 1.00 0.00 C ATOM 1171 CG GLU A 74 11.133 1.117 -5.073 1.00 0.00 C ATOM 1172 CD GLU A 74 10.473 1.784 -3.882 1.00 0.00 C ATOM 1173 OE1 GLU A 74 11.029 2.783 -3.379 1.00 0.00 O ATOM 1174 OE2 GLU A 74 9.402 1.308 -3.452 1.00 0.00 O ATOM 0 H GLU A 74 11.234 2.003 -7.959 1.00 0.00 H new ATOM 0 HA GLU A 74 11.047 3.749 -5.675 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.784 1.366 -6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 74 12.954 2.225 -4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.380 0.916 -5.835 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.541 0.154 -4.765 1.00 0.00 H new ATOM 1181 N LYS A 75 13.544 4.005 -7.779 1.00 0.00 N ATOM 1182 CA LYS A 75 14.681 4.832 -8.165 1.00 0.00 C ATOM 1183 C LYS A 75 14.218 6.203 -8.647 1.00 0.00 C ATOM 1184 O LYS A 75 14.899 7.206 -8.441 1.00 0.00 O ATOM 1185 CB LYS A 75 15.491 4.140 -9.264 1.00 0.00 C ATOM 1186 CG LYS A 75 14.815 4.164 -10.624 1.00 0.00 C ATOM 1187 CD LYS A 75 15.312 5.321 -11.474 1.00 0.00 C ATOM 1188 CE LYS A 75 16.731 5.081 -11.967 1.00 0.00 C ATOM 1189 NZ LYS A 75 16.985 5.751 -13.273 1.00 0.00 N ATOM 0 H LYS A 75 13.284 3.298 -8.467 1.00 0.00 H new ATOM 0 HA LYS A 75 15.313 4.969 -7.288 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.466 4.622 -9.343 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.670 3.104 -8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.004 3.224 -11.142 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.736 4.245 -10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.648 5.459 -12.327 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.279 6.242 -10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.440 5.449 -11.226 1.00 0.00 H new ATOM 0 HE3 LYS A 75 16.904 4.010 -12.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.962 5.564 -13.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.325 5.381 -13.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.845 6.776 -13.170 1.00 0.00 H new ATOM 1203 N ASN A 76 13.054 6.238 -9.289 1.00 0.00 N ATOM 1204 CA ASN A 76 12.500 7.487 -9.799 1.00 0.00 C ATOM 1205 C ASN A 76 11.580 8.135 -8.769 1.00 0.00 C ATOM 1206 O ASN A 76 11.959 9.096 -8.101 1.00 0.00 O ATOM 1207 CB ASN A 76 11.732 7.235 -11.098 1.00 0.00 C ATOM 1208 CG ASN A 76 12.651 6.913 -12.260 1.00 0.00 C ATOM 1209 OD1 ASN A 76 12.458 5.921 -12.963 1.00 0.00 O ATOM 1210 ND2 ASN A 76 13.658 7.754 -12.468 1.00 0.00 N ATOM 0 H ASN A 76 12.477 5.416 -9.468 1.00 0.00 H new ATOM 0 HA ASN A 76 13.328 8.167 -10.000 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.035 6.410 -10.950 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.137 8.115 -11.342 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.309 7.590 -13.236 1.00 0.00 H new ATOM 0 HD22 ASN A 76 13.780 8.564 -11.860 1.00 0.00 H new ATOM 1217 N ASN A 77 10.370 7.600 -8.645 1.00 0.00 N ATOM 1218 CA ASN A 77 9.395 8.126 -7.696 1.00 0.00 C ATOM 1219 C ASN A 77 9.241 9.636 -7.855 1.00 0.00 C ATOM 1220 O ASN A 77 9.733 10.224 -8.818 1.00 0.00 O ATOM 1221 CB ASN A 77 9.816 7.793 -6.263 1.00 0.00 C ATOM 1222 CG ASN A 77 8.632 7.467 -5.374 1.00 0.00 C ATOM 1223 OD1 ASN A 77 8.310 8.216 -4.451 1.00 0.00 O ATOM 1224 ND2 ASN A 77 7.978 6.345 -5.648 1.00 0.00 N ATOM 0 H ASN A 77 10.041 6.803 -9.189 1.00 0.00 H new ATOM 0 HA ASN A 77 8.433 7.657 -7.903 1.00 0.00 H new ATOM 0 HB2 ASN A 77 10.501 6.945 -6.276 1.00 0.00 H new ATOM 0 HB3 ASN A 77 10.362 8.637 -5.842 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.173 6.073 -5.084 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.280 5.755 -6.423 1.00 0.00 H new