USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=12 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 Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 170:sc= -0.554 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 38:sc= 0.638 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= -1.06 K(o=-1.1,f=-3) USER MOD Single : A 17 SER OG : rot 57:sc= 0.856 USER MOD Single : A 22 LYS NZ :NH3+ 168:sc= -0.0317 (180deg=-0.257) USER MOD Single : A 24 GLN : amide:sc= -2.05 X(o=-2.1,f=-1.7) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -4.24! C(o=-4.2!,f=-14!) USER MOD Single : A 30 THR OG1 : rot -39:sc= 0.47 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc=-0.00441 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= -0.273 K(o=-0.27,f=-2.2!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 58:sc= 1.14 USER MOD Single : A 58 GLN : amide:sc= -0.268 X(o=-0.27,f=-0.37) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -6.75! C(o=-6.7!,f=-4.6!) USER MOD Single : A 65 THR OG1 : rot 169:sc= -0.0385 USER MOD Single : A 67 GLN : amide:sc= 0.22 X(o=0.22,f=0) 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 76 ASN : amide:sc= -1.56 K(o=-1.6,f=-4.2!) USER MOD Single : A 77 ASN : amide:sc= -1.99 K(o=-2,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 42 N SER A 3 5.267 -2.938 -4.450 1.00 0.00 N ATOM 43 CA SER A 3 5.414 -1.496 -4.610 1.00 0.00 C ATOM 44 C SER A 3 4.805 -1.030 -5.929 1.00 0.00 C ATOM 45 O SER A 3 3.689 -0.511 -5.963 1.00 0.00 O ATOM 46 CB SER A 3 6.891 -1.103 -4.550 1.00 0.00 C ATOM 47 OG SER A 3 7.198 -0.455 -3.328 1.00 0.00 O ATOM 0 HA SER A 3 4.882 -1.009 -3.793 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.512 -1.992 -4.659 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.129 -0.444 -5.385 1.00 0.00 H new ATOM 0 HG SER A 3 8.148 -0.216 -3.314 1.00 0.00 H new ATOM 53 N THR A 4 5.546 -1.221 -7.016 1.00 0.00 N ATOM 54 CA THR A 4 5.082 -0.820 -8.338 1.00 0.00 C ATOM 55 C THR A 4 3.807 -1.563 -8.721 1.00 0.00 C ATOM 56 O THR A 4 2.915 -0.999 -9.356 1.00 0.00 O ATOM 57 CB THR A 4 6.155 -1.078 -9.412 1.00 0.00 C ATOM 58 OG1 THR A 4 5.671 -0.668 -10.696 1.00 0.00 O ATOM 59 CG2 THR A 4 6.537 -2.550 -9.455 1.00 0.00 C ATOM 0 H THR A 4 6.471 -1.651 -7.007 1.00 0.00 H new ATOM 0 HA THR A 4 4.876 0.249 -8.290 1.00 0.00 H new ATOM 0 HB THR A 4 7.041 -0.497 -9.155 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.407 -0.683 -11.343 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.296 -2.707 -10.221 1.00 0.00 H new ATOM 0 HG22 THR A 4 6.933 -2.852 -8.485 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.656 -3.148 -9.689 1.00 0.00 H new ATOM 67 N PHE A 5 3.727 -2.831 -8.331 1.00 0.00 N ATOM 68 CA PHE A 5 2.560 -3.651 -8.634 1.00 0.00 C ATOM 69 C PHE A 5 1.269 -2.887 -8.354 1.00 0.00 C ATOM 70 O PHE A 5 0.274 -3.049 -9.059 1.00 0.00 O ATOM 71 CB PHE A 5 2.590 -4.942 -7.813 1.00 0.00 C ATOM 72 CG PHE A 5 2.202 -6.162 -8.599 1.00 0.00 C ATOM 73 CD1 PHE A 5 1.226 -6.089 -9.579 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.815 -7.381 -8.358 1.00 0.00 C ATOM 75 CE1 PHE A 5 0.867 -7.210 -10.303 1.00 0.00 C ATOM 76 CE2 PHE A 5 2.460 -8.506 -9.079 1.00 0.00 C ATOM 77 CZ PHE A 5 1.485 -8.420 -10.054 1.00 0.00 C ATOM 0 H PHE A 5 4.456 -3.313 -7.805 1.00 0.00 H new ATOM 0 HA PHE A 5 2.590 -3.902 -9.694 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.593 -5.083 -7.410 1.00 0.00 H new ATOM 0 HB3 PHE A 5 1.916 -4.838 -6.963 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.740 -5.146 -9.780 1.00 0.00 H new ATOM 0 HD2 PHE A 5 3.579 -7.453 -7.598 1.00 0.00 H new ATOM 0 HE1 PHE A 5 0.103 -7.140 -11.063 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.944 -9.451 -8.880 1.00 0.00 H new ATOM 0 HZ PHE A 5 1.207 -9.297 -10.620 1.00 0.00 H new ATOM 87 N ASP A 6 1.295 -2.055 -7.319 1.00 0.00 N ATOM 88 CA ASP A 6 0.129 -1.264 -6.944 1.00 0.00 C ATOM 89 C ASP A 6 -0.356 -0.420 -8.119 1.00 0.00 C ATOM 90 O ASP A 6 -1.439 -0.651 -8.657 1.00 0.00 O ATOM 91 CB ASP A 6 0.458 -0.362 -5.754 1.00 0.00 C ATOM 92 CG ASP A 6 -0.499 -0.560 -4.595 1.00 0.00 C ATOM 93 OD1 ASP A 6 -1.722 -0.628 -4.840 1.00 0.00 O ATOM 94 OD2 ASP A 6 -0.025 -0.649 -3.443 1.00 0.00 O ATOM 0 H ASP A 6 2.111 -1.911 -6.724 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.668 -1.951 -6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.476 -0.564 -5.420 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.428 0.680 -6.072 1.00 0.00 H new ATOM 99 N ASP A 7 0.452 0.559 -8.510 1.00 0.00 N ATOM 100 CA ASP A 7 0.105 1.438 -9.621 1.00 0.00 C ATOM 101 C ASP A 7 0.056 0.662 -10.933 1.00 0.00 C ATOM 102 O ASP A 7 -0.666 1.033 -11.859 1.00 0.00 O ATOM 103 CB ASP A 7 1.115 2.582 -9.728 1.00 0.00 C ATOM 104 CG ASP A 7 0.960 3.597 -8.613 1.00 0.00 C ATOM 105 OD1 ASP A 7 -0.170 3.751 -8.103 1.00 0.00 O ATOM 106 OD2 ASP A 7 1.969 4.236 -8.249 1.00 0.00 O ATOM 0 H ASP A 7 1.351 0.764 -8.075 1.00 0.00 H new ATOM 0 HA ASP A 7 -0.884 1.853 -9.429 1.00 0.00 H new ATOM 0 HB2 ASP A 7 2.125 2.174 -9.706 1.00 0.00 H new ATOM 0 HB3 ASP A 7 0.994 3.081 -10.689 1.00 0.00 H new ATOM 111 N ILE A 8 0.829 -0.417 -11.006 1.00 0.00 N ATOM 112 CA ILE A 8 0.874 -1.244 -12.205 1.00 0.00 C ATOM 113 C ILE A 8 -0.441 -1.989 -12.408 1.00 0.00 C ATOM 114 O ILE A 8 -0.902 -2.163 -13.536 1.00 0.00 O ATOM 115 CB ILE A 8 2.025 -2.266 -12.142 1.00 0.00 C ATOM 116 CG1 ILE A 8 3.312 -1.651 -12.694 1.00 0.00 C ATOM 117 CG2 ILE A 8 1.659 -3.524 -12.914 1.00 0.00 C ATOM 118 CD1 ILE A 8 4.519 -2.553 -12.559 1.00 0.00 C ATOM 0 H ILE A 8 1.432 -0.738 -10.249 1.00 0.00 H new ATOM 0 HA ILE A 8 1.042 -0.571 -13.046 1.00 0.00 H new ATOM 0 HB ILE A 8 2.193 -2.539 -11.100 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.166 -1.407 -13.746 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.509 -0.713 -12.174 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.482 -4.236 -12.860 1.00 0.00 H new ATOM 0 HG22 ILE A 8 0.764 -3.970 -12.480 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.468 -3.269 -13.956 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.395 -2.052 -12.971 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.690 -2.776 -11.506 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.342 -3.481 -13.103 1.00 0.00 H new ATOM 130 N LYS A 9 -1.043 -2.426 -11.307 1.00 0.00 N ATOM 131 CA LYS A 9 -2.308 -3.150 -11.361 1.00 0.00 C ATOM 132 C LYS A 9 -3.470 -2.196 -11.615 1.00 0.00 C ATOM 133 O LYS A 9 -4.516 -2.596 -12.128 1.00 0.00 O ATOM 134 CB LYS A 9 -2.538 -3.916 -10.056 1.00 0.00 C ATOM 135 CG LYS A 9 -3.317 -3.128 -9.018 1.00 0.00 C ATOM 136 CD LYS A 9 -2.932 -3.533 -7.605 1.00 0.00 C ATOM 137 CE LYS A 9 -4.100 -4.175 -6.872 1.00 0.00 C ATOM 138 NZ LYS A 9 -4.089 -3.850 -5.419 1.00 0.00 N ATOM 0 H LYS A 9 -0.675 -2.291 -10.365 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.257 -3.860 -12.187 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -3.074 -4.840 -10.276 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.573 -4.199 -9.636 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.132 -2.063 -9.155 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.385 -3.288 -9.165 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.095 -4.231 -7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.593 -2.656 -7.054 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.037 -3.835 -7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.060 -5.256 -7.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.900 -4.306 -4.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.206 -4.197 -4.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.152 -2.820 -5.293 1.00 0.00 H new ATOM 152 N LYS A 10 -3.281 -0.931 -11.253 1.00 0.00 N ATOM 153 CA LYS A 10 -4.313 0.082 -11.443 1.00 0.00 C ATOM 154 C LYS A 10 -4.346 0.559 -12.892 1.00 0.00 C ATOM 155 O LYS A 10 -5.410 0.870 -13.428 1.00 0.00 O ATOM 156 CB LYS A 10 -4.069 1.269 -10.509 1.00 0.00 C ATOM 157 CG LYS A 10 -3.508 2.492 -11.214 1.00 0.00 C ATOM 158 CD LYS A 10 -3.152 3.591 -10.226 1.00 0.00 C ATOM 159 CE LYS A 10 -3.953 4.857 -10.489 1.00 0.00 C ATOM 160 NZ LYS A 10 -5.162 4.939 -9.623 1.00 0.00 N ATOM 0 H LYS A 10 -2.422 -0.583 -10.826 1.00 0.00 H new ATOM 0 HA LYS A 10 -5.277 -0.367 -11.205 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.007 1.538 -10.024 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.379 0.965 -9.722 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.621 2.211 -11.782 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.239 2.868 -11.930 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.341 3.244 -9.210 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.087 3.812 -10.294 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.322 5.729 -10.315 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.254 4.885 -11.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.680 5.816 -9.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.777 4.121 -9.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -4.874 4.938 -8.624 1.00 0.00 H new ATOM 174 N ILE A 11 -3.176 0.614 -13.519 1.00 0.00 N ATOM 175 CA ILE A 11 -3.072 1.051 -14.905 1.00 0.00 C ATOM 176 C ILE A 11 -3.525 -0.046 -15.863 1.00 0.00 C ATOM 177 O ILE A 11 -4.177 0.226 -16.871 1.00 0.00 O ATOM 178 CB ILE A 11 -1.632 1.464 -15.260 1.00 0.00 C ATOM 179 CG1 ILE A 11 -0.661 0.320 -14.956 1.00 0.00 C ATOM 180 CG2 ILE A 11 -1.237 2.718 -14.494 1.00 0.00 C ATOM 181 CD1 ILE A 11 0.781 0.654 -15.266 1.00 0.00 C ATOM 0 H ILE A 11 -2.286 0.361 -13.089 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.726 1.917 -15.012 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.584 1.683 -16.327 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.745 0.053 -13.903 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.954 -0.558 -15.532 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.216 2.998 -14.755 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.914 3.532 -14.754 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -1.297 2.524 -13.423 1.00 0.00 H new ATOM 0 HD11 ILE A 11 1.412 -0.202 -15.026 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.880 0.893 -16.325 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.092 1.512 -14.670 1.00 0.00 H new ATOM 193 N ILE A 12 -3.177 -1.287 -15.539 1.00 0.00 N ATOM 194 CA ILE A 12 -3.550 -2.426 -16.369 1.00 0.00 C ATOM 195 C ILE A 12 -5.025 -2.770 -16.198 1.00 0.00 C ATOM 196 O ILE A 12 -5.678 -3.232 -17.134 1.00 0.00 O ATOM 197 CB ILE A 12 -2.702 -3.668 -16.035 1.00 0.00 C ATOM 198 CG1 ILE A 12 -2.988 -4.138 -14.607 1.00 0.00 C ATOM 199 CG2 ILE A 12 -1.222 -3.362 -16.211 1.00 0.00 C ATOM 200 CD1 ILE A 12 -3.932 -5.318 -14.538 1.00 0.00 C ATOM 0 H ILE A 12 -2.637 -1.529 -14.708 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.364 -2.137 -17.404 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.971 -4.470 -16.723 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.047 -4.407 -14.126 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.412 -3.310 -14.038 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.636 -4.249 -15.971 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.031 -3.069 -17.243 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.937 -2.548 -15.544 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.090 -5.597 -13.496 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.886 -5.047 -14.989 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -3.501 -6.161 -15.078 1.00 0.00 H new ATOM 212 N SER A 13 -5.546 -2.541 -14.997 1.00 0.00 N ATOM 213 CA SER A 13 -6.945 -2.829 -14.702 1.00 0.00 C ATOM 214 C SER A 13 -7.863 -1.822 -15.389 1.00 0.00 C ATOM 215 O SER A 13 -8.935 -2.176 -15.880 1.00 0.00 O ATOM 216 CB SER A 13 -7.185 -2.807 -13.192 1.00 0.00 C ATOM 217 OG SER A 13 -8.561 -2.961 -12.892 1.00 0.00 O ATOM 0 H SER A 13 -5.020 -2.157 -14.212 1.00 0.00 H new ATOM 0 HA SER A 13 -7.174 -3.824 -15.084 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.615 -3.606 -12.718 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.822 -1.867 -12.777 1.00 0.00 H new ATOM 0 HG SER A 13 -8.964 -3.596 -13.521 1.00 0.00 H new ATOM 223 N LYS A 14 -7.434 -0.565 -15.420 1.00 0.00 N ATOM 224 CA LYS A 14 -8.215 0.495 -16.047 1.00 0.00 C ATOM 225 C LYS A 14 -7.973 0.531 -17.553 1.00 0.00 C ATOM 226 O LYS A 14 -8.812 1.013 -18.313 1.00 0.00 O ATOM 227 CB LYS A 14 -7.861 1.850 -15.431 1.00 0.00 C ATOM 228 CG LYS A 14 -8.585 3.019 -16.076 1.00 0.00 C ATOM 229 CD LYS A 14 -7.671 3.793 -17.012 1.00 0.00 C ATOM 230 CE LYS A 14 -6.661 4.628 -16.240 1.00 0.00 C ATOM 231 NZ LYS A 14 -5.579 5.146 -17.123 1.00 0.00 N ATOM 0 H LYS A 14 -6.549 -0.255 -15.018 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.270 0.287 -15.871 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.098 1.829 -14.367 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.786 2.008 -15.515 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.449 2.652 -16.630 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -8.963 3.686 -15.301 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.145 3.098 -17.666 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.269 4.443 -17.651 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.171 5.464 -15.762 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.223 4.025 -15.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.911 5.710 -16.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -5.076 4.348 -17.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.994 5.743 -17.867 1.00 0.00 H new ATOM 245 N GLN A 15 -6.823 0.016 -17.976 1.00 0.00 N ATOM 246 CA GLN A 15 -6.473 -0.011 -19.391 1.00 0.00 C ATOM 247 C GLN A 15 -7.266 -1.085 -20.128 1.00 0.00 C ATOM 248 O GLN A 15 -7.949 -0.801 -21.113 1.00 0.00 O ATOM 249 CB GLN A 15 -4.973 -0.260 -19.562 1.00 0.00 C ATOM 250 CG GLN A 15 -4.565 -0.552 -20.997 1.00 0.00 C ATOM 251 CD GLN A 15 -4.943 0.565 -21.950 1.00 0.00 C ATOM 252 OE1 GLN A 15 -5.186 1.698 -21.531 1.00 0.00 O ATOM 253 NE2 GLN A 15 -4.995 0.252 -23.239 1.00 0.00 N ATOM 0 H GLN A 15 -6.118 -0.388 -17.359 1.00 0.00 H new ATOM 0 HA GLN A 15 -6.725 0.959 -19.820 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.425 0.613 -19.208 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.678 -1.099 -18.931 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -3.488 -0.711 -21.039 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -5.037 -1.479 -21.324 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -4.786 -0.699 -23.542 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -5.244 0.963 -23.927 1.00 0.00 H new ATOM 262 N LEU A 16 -7.171 -2.319 -19.645 1.00 0.00 N ATOM 263 CA LEU A 16 -7.880 -3.437 -20.258 1.00 0.00 C ATOM 264 C LEU A 16 -9.061 -3.871 -19.396 1.00 0.00 C ATOM 265 O LEU A 16 -10.218 -3.706 -19.782 1.00 0.00 O ATOM 266 CB LEU A 16 -6.928 -4.616 -20.470 1.00 0.00 C ATOM 267 CG LEU A 16 -5.541 -4.269 -21.012 1.00 0.00 C ATOM 268 CD1 LEU A 16 -4.577 -3.987 -19.871 1.00 0.00 C ATOM 269 CD2 LEU A 16 -5.016 -5.394 -21.891 1.00 0.00 C ATOM 0 H LEU A 16 -6.610 -2.571 -18.831 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.261 -3.107 -21.225 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.805 -5.134 -19.519 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.399 -5.319 -21.157 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.624 -3.368 -21.620 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.595 -3.742 -20.276 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.946 -3.148 -19.282 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.497 -4.869 -19.236 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.028 -5.130 -22.268 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.948 -6.311 -21.306 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.695 -5.548 -22.729 1.00 0.00 H new ATOM 281 N SER A 17 -8.761 -4.425 -18.226 1.00 0.00 N ATOM 282 CA SER A 17 -9.798 -4.885 -17.309 1.00 0.00 C ATOM 283 C SER A 17 -9.182 -5.491 -16.052 1.00 0.00 C ATOM 284 O SER A 17 -9.181 -4.873 -14.987 1.00 0.00 O ATOM 285 CB SER A 17 -10.697 -5.914 -17.997 1.00 0.00 C ATOM 286 OG SER A 17 -11.910 -5.323 -18.430 1.00 0.00 O ATOM 0 H SER A 17 -7.808 -4.566 -17.890 1.00 0.00 H new ATOM 0 HA SER A 17 -10.400 -4.024 -17.019 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.174 -6.345 -18.851 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.912 -6.731 -17.309 1.00 0.00 H new ATOM 0 HG SER A 17 -11.713 -4.576 -19.033 1.00 0.00 H new ATOM 292 N VAL A 18 -8.659 -6.706 -16.184 1.00 0.00 N ATOM 293 CA VAL A 18 -8.038 -7.397 -15.060 1.00 0.00 C ATOM 294 C VAL A 18 -7.046 -8.450 -15.542 1.00 0.00 C ATOM 295 O VAL A 18 -7.249 -9.646 -15.338 1.00 0.00 O ATOM 296 CB VAL A 18 -9.094 -8.073 -14.165 1.00 0.00 C ATOM 297 CG1 VAL A 18 -9.754 -7.051 -13.252 1.00 0.00 C ATOM 298 CG2 VAL A 18 -10.131 -8.791 -15.015 1.00 0.00 C ATOM 0 H VAL A 18 -8.653 -7.232 -17.058 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.508 -6.643 -14.478 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.595 -8.813 -13.539 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.497 -7.547 -12.627 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.998 -6.588 -12.618 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.241 -6.285 -13.855 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.869 -9.263 -14.367 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.627 -8.073 -15.667 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.641 -9.553 -15.621 1.00 0.00 H new ATOM 308 N GLU A 19 -5.973 -7.995 -16.181 1.00 0.00 N ATOM 309 CA GLU A 19 -4.950 -8.899 -16.693 1.00 0.00 C ATOM 310 C GLU A 19 -3.797 -9.033 -15.701 1.00 0.00 C ATOM 311 O GLU A 19 -2.664 -9.315 -16.087 1.00 0.00 O ATOM 312 CB GLU A 19 -4.423 -8.399 -18.040 1.00 0.00 C ATOM 313 CG GLU A 19 -3.977 -6.947 -18.018 1.00 0.00 C ATOM 314 CD GLU A 19 -2.634 -6.739 -18.690 1.00 0.00 C ATOM 315 OE1 GLU A 19 -2.358 -7.435 -19.690 1.00 0.00 O ATOM 316 OE2 GLU A 19 -1.859 -5.882 -18.218 1.00 0.00 O ATOM 0 H GLU A 19 -5.790 -7.007 -16.356 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.404 -9.880 -16.831 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.584 -9.023 -18.347 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.202 -8.520 -18.793 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.727 -6.333 -18.516 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.919 -6.604 -16.985 1.00 0.00 H new ATOM 323 N GLU A 20 -4.098 -8.827 -14.423 1.00 0.00 N ATOM 324 CA GLU A 20 -3.086 -8.923 -13.377 1.00 0.00 C ATOM 325 C GLU A 20 -2.574 -10.355 -13.245 1.00 0.00 C ATOM 326 O GLU A 20 -1.495 -10.592 -12.701 1.00 0.00 O ATOM 327 CB GLU A 20 -3.658 -8.450 -12.039 1.00 0.00 C ATOM 328 CG GLU A 20 -4.604 -9.448 -11.393 1.00 0.00 C ATOM 329 CD GLU A 20 -5.861 -8.796 -10.852 1.00 0.00 C ATOM 330 OE1 GLU A 20 -6.728 -8.413 -11.665 1.00 0.00 O ATOM 331 OE2 GLU A 20 -5.978 -8.667 -9.615 1.00 0.00 O ATOM 0 H GLU A 20 -5.032 -8.593 -14.087 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.251 -8.281 -13.655 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.835 -8.246 -11.354 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.186 -7.509 -12.192 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.880 -10.207 -12.125 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.087 -9.960 -10.581 1.00 0.00 H new ATOM 338 N ASP A 21 -3.356 -11.305 -13.745 1.00 0.00 N ATOM 339 CA ASP A 21 -2.982 -12.713 -13.685 1.00 0.00 C ATOM 340 C ASP A 21 -2.375 -13.172 -15.007 1.00 0.00 C ATOM 341 O ASP A 21 -2.141 -14.362 -15.216 1.00 0.00 O ATOM 342 CB ASP A 21 -4.201 -13.572 -13.345 1.00 0.00 C ATOM 343 CG ASP A 21 -3.827 -15.002 -13.009 1.00 0.00 C ATOM 344 OD1 ASP A 21 -3.284 -15.231 -11.907 1.00 0.00 O ATOM 345 OD2 ASP A 21 -4.076 -15.893 -13.847 1.00 0.00 O ATOM 0 H ASP A 21 -4.253 -11.126 -14.196 1.00 0.00 H new ATOM 0 HA ASP A 21 -2.233 -12.831 -12.902 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.729 -13.130 -12.500 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.891 -13.569 -14.189 1.00 0.00 H new ATOM 350 N LYS A 22 -2.121 -12.219 -15.897 1.00 0.00 N ATOM 351 CA LYS A 22 -1.541 -12.523 -17.200 1.00 0.00 C ATOM 352 C LYS A 22 -0.578 -11.423 -17.637 1.00 0.00 C ATOM 353 O LYS A 22 -0.117 -11.407 -18.778 1.00 0.00 O ATOM 354 CB LYS A 22 -2.644 -12.694 -18.246 1.00 0.00 C ATOM 355 CG LYS A 22 -3.839 -11.782 -18.025 1.00 0.00 C ATOM 356 CD LYS A 22 -4.394 -11.263 -19.340 1.00 0.00 C ATOM 357 CE LYS A 22 -4.875 -12.399 -20.230 1.00 0.00 C ATOM 358 NZ LYS A 22 -5.896 -13.242 -19.549 1.00 0.00 N ATOM 0 H LYS A 22 -2.308 -11.229 -15.740 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.984 -13.456 -17.112 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.228 -12.501 -19.235 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.982 -13.730 -18.239 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.618 -12.325 -17.489 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.545 -10.942 -17.396 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.220 -10.579 -19.143 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.625 -10.692 -19.861 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.296 -11.988 -21.147 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.026 -13.019 -20.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.345 -13.873 -20.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -5.438 -13.812 -18.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.619 -12.631 -19.118 1.00 0.00 H new ATOM 372 N ILE A 23 -0.278 -10.508 -16.721 1.00 0.00 N ATOM 373 CA ILE A 23 0.631 -9.407 -17.012 1.00 0.00 C ATOM 374 C ILE A 23 1.876 -9.475 -16.134 1.00 0.00 C ATOM 375 O ILE A 23 2.886 -8.833 -16.421 1.00 0.00 O ATOM 376 CB ILE A 23 -0.053 -8.042 -16.807 1.00 0.00 C ATOM 377 CG1 ILE A 23 0.822 -6.919 -17.369 1.00 0.00 C ATOM 378 CG2 ILE A 23 -0.340 -7.810 -15.332 1.00 0.00 C ATOM 379 CD1 ILE A 23 1.112 -7.061 -18.847 1.00 0.00 C ATOM 0 H ILE A 23 -0.651 -10.508 -15.772 1.00 0.00 H new ATOM 0 HA ILE A 23 0.921 -9.506 -18.058 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.001 -8.042 -17.345 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.329 -5.963 -17.194 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.765 -6.896 -16.823 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.823 -6.842 -15.203 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.998 -8.596 -14.961 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.595 -7.826 -14.772 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.737 -6.231 -19.177 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.633 -8.001 -19.027 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.175 -7.054 -19.404 1.00 0.00 H new ATOM 391 N GLN A 24 1.797 -10.260 -15.065 1.00 0.00 N ATOM 392 CA GLN A 24 2.918 -10.414 -14.145 1.00 0.00 C ATOM 393 C GLN A 24 3.547 -11.797 -14.280 1.00 0.00 C ATOM 394 O GLN A 24 3.051 -12.772 -13.716 1.00 0.00 O ATOM 395 CB GLN A 24 2.458 -10.188 -12.704 1.00 0.00 C ATOM 396 CG GLN A 24 3.394 -10.785 -11.666 1.00 0.00 C ATOM 397 CD GLN A 24 2.873 -12.087 -11.090 1.00 0.00 C ATOM 398 OE1 GLN A 24 3.613 -13.063 -10.962 1.00 0.00 O ATOM 399 NE2 GLN A 24 1.592 -12.108 -10.738 1.00 0.00 N ATOM 0 H GLN A 24 0.968 -10.799 -14.814 1.00 0.00 H new ATOM 0 HA GLN A 24 3.670 -9.667 -14.400 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.366 -9.117 -12.525 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.465 -10.619 -12.577 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.370 -10.958 -12.119 1.00 0.00 H new ATOM 0 HG3 GLN A 24 3.540 -10.068 -10.858 1.00 0.00 H new ATOM 0 HE21 GLN A 24 1.015 -11.276 -10.862 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.185 -12.956 -10.344 1.00 0.00 H new ATOM 408 N MET A 25 4.641 -11.874 -15.030 1.00 0.00 N ATOM 409 CA MET A 25 5.337 -13.138 -15.238 1.00 0.00 C ATOM 410 C MET A 25 6.788 -13.042 -14.776 1.00 0.00 C ATOM 411 O MET A 25 7.548 -14.003 -14.883 1.00 0.00 O ATOM 412 CB MET A 25 5.285 -13.538 -16.714 1.00 0.00 C ATOM 413 CG MET A 25 3.880 -13.535 -17.295 1.00 0.00 C ATOM 414 SD MET A 25 3.402 -15.140 -17.962 1.00 0.00 S ATOM 415 CE MET A 25 1.670 -15.194 -17.507 1.00 0.00 C ATOM 0 H MET A 25 5.065 -11.076 -15.504 1.00 0.00 H new ATOM 0 HA MET A 25 4.835 -13.902 -14.645 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.909 -12.854 -17.290 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.714 -14.533 -16.828 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.171 -13.242 -16.521 1.00 0.00 H new ATOM 0 HG3 MET A 25 3.819 -12.785 -18.084 1.00 0.00 H new ATOM 0 HE1 MET A 25 1.232 -16.131 -17.852 1.00 0.00 H new ATOM 0 HE2 MET A 25 1.576 -15.127 -16.423 1.00 0.00 H new ATOM 0 HE3 MET A 25 1.146 -14.357 -17.969 1.00 0.00 H new ATOM 425 N ASN A 26 7.165 -11.875 -14.263 1.00 0.00 N ATOM 426 CA ASN A 26 8.525 -11.654 -13.786 1.00 0.00 C ATOM 427 C ASN A 26 9.520 -11.696 -14.942 1.00 0.00 C ATOM 428 O ASN A 26 10.730 -11.778 -14.730 1.00 0.00 O ATOM 429 CB ASN A 26 8.898 -12.704 -12.738 1.00 0.00 C ATOM 430 CG ASN A 26 9.244 -12.086 -11.398 1.00 0.00 C ATOM 431 OD1 ASN A 26 10.264 -11.410 -11.258 1.00 0.00 O ATOM 432 ND2 ASN A 26 8.395 -12.316 -10.403 1.00 0.00 N ATOM 0 H ASN A 26 6.548 -11.068 -14.167 1.00 0.00 H new ATOM 0 HA ASN A 26 8.567 -10.665 -13.329 1.00 0.00 H new ATOM 0 HB2 ASN A 26 8.067 -13.398 -12.611 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.747 -13.286 -13.097 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.576 -11.927 -9.478 1.00 0.00 H new ATOM 0 HD22 ASN A 26 7.562 -12.882 -10.564 1.00 0.00 H new ATOM 439 N SER A 27 9.002 -11.640 -16.165 1.00 0.00 N ATOM 440 CA SER A 27 9.844 -11.675 -17.354 1.00 0.00 C ATOM 441 C SER A 27 9.659 -10.412 -18.189 1.00 0.00 C ATOM 442 O SER A 27 10.517 -9.531 -18.200 1.00 0.00 O ATOM 443 CB SER A 27 9.521 -12.910 -18.198 1.00 0.00 C ATOM 444 OG SER A 27 10.378 -13.990 -17.872 1.00 0.00 O ATOM 0 H SER A 27 8.003 -11.570 -16.358 1.00 0.00 H new ATOM 0 HA SER A 27 10.884 -11.726 -17.031 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.484 -13.203 -18.036 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.623 -12.668 -19.256 1.00 0.00 H new ATOM 0 HG SER A 27 10.150 -14.767 -18.424 1.00 0.00 H new ATOM 450 N ASN A 28 8.531 -10.333 -18.888 1.00 0.00 N ATOM 451 CA ASN A 28 8.231 -9.178 -19.727 1.00 0.00 C ATOM 452 C ASN A 28 6.739 -8.862 -19.705 1.00 0.00 C ATOM 453 O ASN A 28 5.919 -9.711 -19.354 1.00 0.00 O ATOM 454 CB ASN A 28 8.689 -9.434 -21.164 1.00 0.00 C ATOM 455 CG ASN A 28 9.557 -10.671 -21.283 1.00 0.00 C ATOM 456 OD1 ASN A 28 9.098 -11.726 -21.723 1.00 0.00 O ATOM 457 ND2 ASN A 28 10.820 -10.549 -20.890 1.00 0.00 N ATOM 0 H ASN A 28 7.810 -11.055 -18.890 1.00 0.00 H new ATOM 0 HA ASN A 28 8.771 -8.320 -19.328 1.00 0.00 H new ATOM 0 HB2 ASN A 28 7.815 -9.543 -21.807 1.00 0.00 H new ATOM 0 HB3 ASN A 28 9.244 -8.568 -21.525 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.451 -11.348 -20.947 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.159 -9.656 -20.532 1.00 0.00 H new ATOM 464 N PHE A 29 6.393 -7.636 -20.084 1.00 0.00 N ATOM 465 CA PHE A 29 5.000 -7.208 -20.108 1.00 0.00 C ATOM 466 C PHE A 29 4.361 -7.508 -21.461 1.00 0.00 C ATOM 467 O PHE A 29 3.235 -8.002 -21.534 1.00 0.00 O ATOM 468 CB PHE A 29 4.899 -5.711 -19.805 1.00 0.00 C ATOM 469 CG PHE A 29 4.467 -5.412 -18.398 1.00 0.00 C ATOM 470 CD1 PHE A 29 5.275 -5.752 -17.324 1.00 0.00 C ATOM 471 CD2 PHE A 29 3.254 -4.792 -18.148 1.00 0.00 C ATOM 472 CE1 PHE A 29 4.881 -5.478 -16.028 1.00 0.00 C ATOM 473 CE2 PHE A 29 2.855 -4.515 -16.854 1.00 0.00 C ATOM 474 CZ PHE A 29 3.669 -4.859 -15.793 1.00 0.00 C ATOM 0 H PHE A 29 7.059 -6.922 -20.379 1.00 0.00 H new ATOM 0 HA PHE A 29 4.462 -7.765 -19.341 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.868 -5.246 -19.986 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.192 -5.255 -20.498 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.224 -6.237 -17.502 1.00 0.00 H new ATOM 0 HD2 PHE A 29 2.612 -4.522 -18.974 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.520 -5.748 -15.200 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.907 -4.030 -16.673 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.358 -4.644 -14.781 1.00 0.00 H new ATOM 484 N THR A 30 5.089 -7.206 -22.532 1.00 0.00 N ATOM 485 CA THR A 30 4.594 -7.442 -23.882 1.00 0.00 C ATOM 486 C THR A 30 5.506 -8.399 -24.642 1.00 0.00 C ATOM 487 O THR A 30 5.265 -8.707 -25.810 1.00 0.00 O ATOM 488 CB THR A 30 4.476 -6.126 -24.675 1.00 0.00 C ATOM 489 OG1 THR A 30 3.761 -6.352 -25.895 1.00 0.00 O ATOM 490 CG2 THR A 30 5.851 -5.555 -24.985 1.00 0.00 C ATOM 0 H THR A 30 6.023 -6.798 -22.490 1.00 0.00 H new ATOM 0 HA THR A 30 3.604 -7.888 -23.783 1.00 0.00 H new ATOM 0 HB THR A 30 3.932 -5.407 -24.063 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.027 -7.215 -26.275 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.741 -4.626 -25.545 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.381 -5.356 -24.053 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.417 -6.272 -25.579 1.00 0.00 H new ATOM 498 N LYS A 31 6.554 -8.867 -23.973 1.00 0.00 N ATOM 499 CA LYS A 31 7.502 -9.791 -24.584 1.00 0.00 C ATOM 500 C LYS A 31 7.347 -11.193 -24.002 1.00 0.00 C ATOM 501 O LYS A 31 7.920 -12.154 -24.514 1.00 0.00 O ATOM 502 CB LYS A 31 8.935 -9.296 -24.376 1.00 0.00 C ATOM 503 CG LYS A 31 9.021 -7.833 -23.979 1.00 0.00 C ATOM 504 CD LYS A 31 10.459 -7.404 -23.738 1.00 0.00 C ATOM 505 CE LYS A 31 10.986 -6.556 -24.886 1.00 0.00 C ATOM 506 NZ LYS A 31 12.316 -5.964 -24.572 1.00 0.00 N ATOM 0 H LYS A 31 6.768 -8.621 -23.007 1.00 0.00 H new ATOM 0 HA LYS A 31 7.291 -9.835 -25.653 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.411 -9.902 -23.605 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.500 -9.448 -25.296 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.583 -7.216 -24.763 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.434 -7.665 -23.076 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.520 -6.839 -22.808 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.088 -8.286 -23.617 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.064 -7.169 -25.784 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.276 -5.759 -25.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.641 -5.393 -25.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 12.237 -5.359 -23.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.000 -6.725 -24.388 1.00 0.00 H new ATOM 520 N ASP A 32 6.569 -11.301 -22.931 1.00 0.00 N ATOM 521 CA ASP A 32 6.338 -12.585 -22.280 1.00 0.00 C ATOM 522 C ASP A 32 4.958 -13.132 -22.633 1.00 0.00 C ATOM 523 O ASP A 32 4.837 -14.171 -23.284 1.00 0.00 O ATOM 524 CB ASP A 32 6.472 -12.445 -20.763 1.00 0.00 C ATOM 525 CG ASP A 32 7.211 -13.611 -20.137 1.00 0.00 C ATOM 526 OD1 ASP A 32 8.312 -13.946 -20.624 1.00 0.00 O ATOM 527 OD2 ASP A 32 6.690 -14.188 -19.160 1.00 0.00 O ATOM 0 H ASP A 32 6.087 -10.515 -22.495 1.00 0.00 H new ATOM 0 HA ASP A 32 7.091 -13.287 -22.639 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.998 -11.519 -20.532 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.479 -12.367 -20.319 1.00 0.00 H new ATOM 532 N LEU A 33 3.919 -12.426 -22.199 1.00 0.00 N ATOM 533 CA LEU A 33 2.546 -12.841 -22.467 1.00 0.00 C ATOM 534 C LEU A 33 2.174 -12.581 -23.924 1.00 0.00 C ATOM 535 O LEU A 33 1.297 -13.242 -24.478 1.00 0.00 O ATOM 536 CB LEU A 33 1.579 -12.101 -21.542 1.00 0.00 C ATOM 537 CG LEU A 33 1.823 -10.600 -21.377 1.00 0.00 C ATOM 538 CD1 LEU A 33 0.531 -9.824 -21.582 1.00 0.00 C ATOM 539 CD2 LEU A 33 2.414 -10.303 -20.007 1.00 0.00 C ATOM 0 H LEU A 33 4.001 -11.564 -21.660 1.00 0.00 H new ATOM 0 HA LEU A 33 2.472 -13.912 -22.277 1.00 0.00 H new ATOM 0 HB2 LEU A 33 0.566 -12.245 -21.918 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.622 -12.566 -20.557 1.00 0.00 H new ATOM 0 HG LEU A 33 2.538 -10.282 -22.135 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.724 -8.758 -21.461 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.149 -10.012 -22.585 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.207 -10.145 -20.847 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.581 -9.230 -19.907 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.723 -10.636 -19.233 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.362 -10.829 -19.898 1.00 0.00 H new ATOM 551 N GLY A 34 2.850 -11.615 -24.538 1.00 0.00 N ATOM 552 CA GLY A 34 2.577 -11.286 -25.925 1.00 0.00 C ATOM 553 C GLY A 34 1.183 -10.726 -26.126 1.00 0.00 C ATOM 554 O GLY A 34 0.366 -11.315 -26.833 1.00 0.00 O ATOM 0 H GLY A 34 3.581 -11.055 -24.100 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.311 -10.559 -26.274 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.698 -12.180 -26.537 1.00 0.00 H new ATOM 558 N ALA A 35 0.909 -9.586 -25.500 1.00 0.00 N ATOM 559 CA ALA A 35 -0.396 -8.947 -25.613 1.00 0.00 C ATOM 560 C ALA A 35 -0.413 -7.931 -26.750 1.00 0.00 C ATOM 561 O ALA A 35 -0.898 -8.218 -27.844 1.00 0.00 O ATOM 562 CB ALA A 35 -0.771 -8.278 -24.299 1.00 0.00 C ATOM 0 H ALA A 35 1.574 -9.086 -24.909 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.133 -9.718 -25.839 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.748 -7.805 -24.398 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.809 -9.026 -23.507 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.026 -7.523 -24.049 1.00 0.00 H new ATOM 568 N ASP A 36 0.119 -6.743 -26.484 1.00 0.00 N ATOM 569 CA ASP A 36 0.166 -5.684 -27.485 1.00 0.00 C ATOM 570 C ASP A 36 0.791 -4.418 -26.909 1.00 0.00 C ATOM 571 O ASP A 36 0.522 -4.000 -25.784 1.00 0.00 O ATOM 572 CB ASP A 36 -1.241 -5.382 -28.005 1.00 0.00 C ATOM 573 CG ASP A 36 -2.312 -5.652 -26.966 1.00 0.00 C ATOM 574 OD1 ASP A 36 -2.091 -5.313 -25.785 1.00 0.00 O ATOM 575 OD2 ASP A 36 -3.371 -6.202 -27.335 1.00 0.00 O ATOM 0 H ASP A 36 0.524 -6.489 -25.583 1.00 0.00 H new ATOM 0 HA ASP A 36 0.785 -6.028 -28.313 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -1.294 -4.338 -28.315 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.436 -5.988 -28.890 1.00 0.00 H new ATOM 580 N SER A 37 1.663 -3.772 -27.702 1.00 0.00 N ATOM 581 CA SER A 37 2.401 -2.534 -27.363 1.00 0.00 C ATOM 582 C SER A 37 1.470 -1.382 -26.950 1.00 0.00 C ATOM 583 O SER A 37 1.734 -0.645 -25.999 1.00 0.00 O ATOM 584 CB SER A 37 3.251 -2.168 -28.591 1.00 0.00 C ATOM 585 OG SER A 37 2.425 -1.809 -29.700 1.00 0.00 O ATOM 0 H SER A 37 1.885 -4.110 -28.638 1.00 0.00 H new ATOM 0 HA SER A 37 3.033 -2.707 -26.492 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.914 -1.339 -28.344 1.00 0.00 H new ATOM 0 HB3 SER A 37 3.884 -3.012 -28.864 1.00 0.00 H new ATOM 0 HG SER A 37 2.989 -1.579 -30.467 1.00 0.00 H new ATOM 590 N LEU A 38 0.374 -1.245 -27.688 1.00 0.00 N ATOM 591 CA LEU A 38 -0.604 -0.196 -27.418 1.00 0.00 C ATOM 592 C LEU A 38 -1.059 -0.237 -25.963 1.00 0.00 C ATOM 593 O LEU A 38 -1.147 0.796 -25.300 1.00 0.00 O ATOM 594 CB LEU A 38 -1.811 -0.346 -28.346 1.00 0.00 C ATOM 595 CG LEU A 38 -1.496 -0.602 -29.821 1.00 0.00 C ATOM 596 CD1 LEU A 38 -1.623 -2.083 -30.144 1.00 0.00 C ATOM 597 CD2 LEU A 38 -2.414 0.221 -30.713 1.00 0.00 C ATOM 0 H LEU A 38 0.140 -1.847 -28.478 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.128 0.767 -27.603 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.427 -1.167 -27.979 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.413 0.560 -28.276 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.467 -0.296 -30.012 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.395 -2.246 -31.197 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.924 -2.651 -29.529 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.640 -2.415 -29.937 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.176 0.026 -31.759 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.451 -0.054 -30.520 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.274 1.281 -30.500 1.00 0.00 H new ATOM 609 N ASP A 39 -1.345 -1.438 -25.472 1.00 0.00 N ATOM 610 CA ASP A 39 -1.788 -1.615 -24.094 1.00 0.00 C ATOM 611 C ASP A 39 -0.639 -1.377 -23.119 1.00 0.00 C ATOM 612 O ASP A 39 -0.718 -0.508 -22.249 1.00 0.00 O ATOM 613 CB ASP A 39 -2.359 -3.020 -23.895 1.00 0.00 C ATOM 614 CG ASP A 39 -3.620 -3.251 -24.703 1.00 0.00 C ATOM 615 OD1 ASP A 39 -3.556 -3.146 -25.946 1.00 0.00 O ATOM 616 OD2 ASP A 39 -4.672 -3.538 -24.093 1.00 0.00 O ATOM 0 H ASP A 39 -1.278 -2.303 -26.008 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.569 -0.882 -23.893 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.609 -3.758 -24.179 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.575 -3.175 -22.838 1.00 0.00 H new ATOM 621 N LEU A 40 0.428 -2.154 -23.269 1.00 0.00 N ATOM 622 CA LEU A 40 1.594 -2.029 -22.401 1.00 0.00 C ATOM 623 C LEU A 40 2.018 -0.570 -22.265 1.00 0.00 C ATOM 624 O LEU A 40 2.225 -0.074 -21.158 1.00 0.00 O ATOM 625 CB LEU A 40 2.755 -2.860 -22.951 1.00 0.00 C ATOM 626 CG LEU A 40 4.152 -2.456 -22.479 1.00 0.00 C ATOM 627 CD1 LEU A 40 5.043 -3.680 -22.340 1.00 0.00 C ATOM 628 CD2 LEU A 40 4.769 -1.451 -23.440 1.00 0.00 C ATOM 0 H LEU A 40 0.510 -2.877 -23.984 1.00 0.00 H new ATOM 0 HA LEU A 40 1.323 -2.403 -21.414 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.589 -3.903 -22.680 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.731 -2.805 -24.039 1.00 0.00 H new ATOM 0 HG LEU A 40 4.062 -1.985 -21.500 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.033 -3.373 -22.003 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.609 -4.365 -21.612 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.127 -4.180 -23.305 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.763 -1.174 -23.089 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.846 -1.896 -24.432 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.141 -0.561 -23.489 1.00 0.00 H new ATOM 640 N VAL A 41 2.142 0.113 -23.399 1.00 0.00 N ATOM 641 CA VAL A 41 2.537 1.516 -23.407 1.00 0.00 C ATOM 642 C VAL A 41 1.457 2.395 -22.787 1.00 0.00 C ATOM 643 O VAL A 41 1.756 3.358 -22.082 1.00 0.00 O ATOM 644 CB VAL A 41 2.827 2.009 -24.837 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.206 3.483 -24.827 1.00 0.00 C ATOM 646 CG2 VAL A 41 3.924 1.173 -25.477 1.00 0.00 C ATOM 0 H VAL A 41 1.974 -0.283 -24.324 1.00 0.00 H new ATOM 0 HA VAL A 41 3.448 1.592 -22.813 1.00 0.00 H new ATOM 0 HB VAL A 41 1.921 1.895 -25.432 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.407 3.814 -25.846 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.385 4.067 -24.411 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.098 3.625 -24.216 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.115 1.536 -26.487 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.835 1.253 -24.884 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.609 0.130 -25.520 1.00 0.00 H new ATOM 656 N GLU A 42 0.200 2.055 -23.055 1.00 0.00 N ATOM 657 CA GLU A 42 -0.926 2.815 -22.522 1.00 0.00 C ATOM 658 C GLU A 42 -0.899 2.829 -20.997 1.00 0.00 C ATOM 659 O GLU A 42 -0.693 3.874 -20.378 1.00 0.00 O ATOM 660 CB GLU A 42 -2.248 2.222 -23.015 1.00 0.00 C ATOM 661 CG GLU A 42 -2.806 2.919 -24.245 1.00 0.00 C ATOM 662 CD GLU A 42 -4.040 3.744 -23.938 1.00 0.00 C ATOM 663 OE1 GLU A 42 -4.008 4.516 -22.956 1.00 0.00 O ATOM 664 OE2 GLU A 42 -5.037 3.619 -24.679 1.00 0.00 O ATOM 0 H GLU A 42 -0.064 1.260 -23.637 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.841 3.841 -22.879 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.101 1.166 -23.241 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.983 2.276 -22.212 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.039 3.565 -24.672 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.051 2.173 -25.001 1.00 0.00 H new ATOM 671 N LEU A 43 -1.110 1.663 -20.396 1.00 0.00 N ATOM 672 CA LEU A 43 -1.111 1.540 -18.943 1.00 0.00 C ATOM 673 C LEU A 43 0.137 2.178 -18.341 1.00 0.00 C ATOM 674 O LEU A 43 0.067 2.847 -17.309 1.00 0.00 O ATOM 675 CB LEU A 43 -1.191 0.067 -18.536 1.00 0.00 C ATOM 676 CG LEU A 43 -0.225 -0.880 -19.249 1.00 0.00 C ATOM 677 CD1 LEU A 43 0.867 -1.345 -18.299 1.00 0.00 C ATOM 678 CD2 LEU A 43 -0.975 -2.071 -19.827 1.00 0.00 C ATOM 0 H LEU A 43 -1.283 0.789 -20.893 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.986 2.065 -18.560 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.011 -0.003 -17.463 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.208 -0.283 -18.712 1.00 0.00 H new ATOM 0 HG LEU A 43 0.244 -0.338 -20.070 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.544 -2.018 -18.825 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.424 -0.482 -17.934 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.417 -1.869 -17.456 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.272 -2.734 -20.331 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.472 -2.613 -19.023 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.719 -1.720 -20.542 1.00 0.00 H new ATOM 690 N ILE A 44 1.275 1.969 -18.993 1.00 0.00 N ATOM 691 CA ILE A 44 2.537 2.527 -18.524 1.00 0.00 C ATOM 692 C ILE A 44 2.510 4.052 -18.557 1.00 0.00 C ATOM 693 O ILE A 44 2.934 4.711 -17.608 1.00 0.00 O ATOM 694 CB ILE A 44 3.723 2.028 -19.371 1.00 0.00 C ATOM 695 CG1 ILE A 44 4.039 0.569 -19.035 1.00 0.00 C ATOM 696 CG2 ILE A 44 4.944 2.906 -19.142 1.00 0.00 C ATOM 697 CD1 ILE A 44 5.000 -0.080 -20.006 1.00 0.00 C ATOM 0 H ILE A 44 1.349 1.417 -19.848 1.00 0.00 H new ATOM 0 HA ILE A 44 2.668 2.190 -17.496 1.00 0.00 H new ATOM 0 HB ILE A 44 3.449 2.088 -20.424 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.460 0.519 -18.031 1.00 0.00 H new ATOM 0 HG13 ILE A 44 3.110 -0.001 -19.020 1.00 0.00 H new ATOM 0 HG21 ILE A 44 5.774 2.541 -19.747 1.00 0.00 H new ATOM 0 HG22 ILE A 44 4.712 3.933 -19.426 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.222 2.875 -18.089 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.178 -1.113 -19.706 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.572 -0.062 -21.008 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.943 0.466 -20.004 1.00 0.00 H new ATOM 709 N MET A 45 2.007 4.605 -19.656 1.00 0.00 N ATOM 710 CA MET A 45 1.921 6.053 -19.811 1.00 0.00 C ATOM 711 C MET A 45 1.161 6.680 -18.647 1.00 0.00 C ATOM 712 O MET A 45 1.395 7.835 -18.292 1.00 0.00 O ATOM 713 CB MET A 45 1.236 6.406 -21.133 1.00 0.00 C ATOM 714 CG MET A 45 -0.256 6.662 -20.994 1.00 0.00 C ATOM 715 SD MET A 45 -0.639 8.400 -20.709 1.00 0.00 S ATOM 716 CE MET A 45 -0.655 9.023 -22.389 1.00 0.00 C ATOM 0 H MET A 45 1.653 4.073 -20.451 1.00 0.00 H new ATOM 0 HA MET A 45 2.935 6.454 -19.817 1.00 0.00 H new ATOM 0 HB2 MET A 45 1.711 7.292 -21.554 1.00 0.00 H new ATOM 0 HB3 MET A 45 1.393 5.593 -21.842 1.00 0.00 H new ATOM 0 HG2 MET A 45 -0.764 6.326 -21.898 1.00 0.00 H new ATOM 0 HG3 MET A 45 -0.647 6.068 -20.168 1.00 0.00 H new ATOM 0 HE1 MET A 45 -0.879 10.090 -22.379 1.00 0.00 H new ATOM 0 HE2 MET A 45 0.321 8.861 -22.846 1.00 0.00 H new ATOM 0 HE3 MET A 45 -1.417 8.498 -22.965 1.00 0.00 H new ATOM 726 N ALA A 46 0.251 5.912 -18.058 1.00 0.00 N ATOM 727 CA ALA A 46 -0.542 6.393 -16.933 1.00 0.00 C ATOM 728 C ALA A 46 0.251 6.321 -15.632 1.00 0.00 C ATOM 729 O ALA A 46 0.202 7.239 -14.812 1.00 0.00 O ATOM 730 CB ALA A 46 -1.829 5.591 -16.814 1.00 0.00 C ATOM 0 H ALA A 46 0.044 4.954 -18.341 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.793 7.437 -17.117 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.411 5.961 -15.970 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.410 5.697 -17.730 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.589 4.539 -16.656 1.00 0.00 H new ATOM 736 N LEU A 47 0.980 5.226 -15.449 1.00 0.00 N ATOM 737 CA LEU A 47 1.783 5.034 -14.246 1.00 0.00 C ATOM 738 C LEU A 47 2.742 6.202 -14.040 1.00 0.00 C ATOM 739 O LEU A 47 2.875 6.721 -12.932 1.00 0.00 O ATOM 740 CB LEU A 47 2.568 3.725 -14.337 1.00 0.00 C ATOM 741 CG LEU A 47 2.608 2.877 -13.065 1.00 0.00 C ATOM 742 CD1 LEU A 47 3.415 1.608 -13.295 1.00 0.00 C ATOM 743 CD2 LEU A 47 3.187 3.678 -11.908 1.00 0.00 C ATOM 0 H LEU A 47 1.032 4.458 -16.118 1.00 0.00 H new ATOM 0 HA LEU A 47 1.108 4.987 -13.392 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.140 3.123 -15.138 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.593 3.958 -14.627 1.00 0.00 H new ATOM 0 HG LEU A 47 1.588 2.592 -12.808 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.433 1.017 -12.379 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.957 1.025 -14.094 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.435 1.871 -13.577 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.208 3.059 -11.011 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.201 3.993 -12.155 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.568 4.557 -11.728 1.00 0.00 H new ATOM 755 N GLU A 48 3.408 6.612 -15.116 1.00 0.00 N ATOM 756 CA GLU A 48 4.354 7.720 -15.052 1.00 0.00 C ATOM 757 C GLU A 48 3.623 9.051 -14.904 1.00 0.00 C ATOM 758 O GLU A 48 4.026 9.906 -14.116 1.00 0.00 O ATOM 759 CB GLU A 48 5.230 7.743 -16.306 1.00 0.00 C ATOM 760 CG GLU A 48 4.439 7.843 -17.600 1.00 0.00 C ATOM 761 CD GLU A 48 4.258 9.275 -18.064 1.00 0.00 C ATOM 762 OE1 GLU A 48 4.605 10.197 -17.297 1.00 0.00 O ATOM 763 OE2 GLU A 48 3.767 9.474 -19.195 1.00 0.00 O ATOM 0 H GLU A 48 3.310 6.194 -16.041 1.00 0.00 H new ATOM 0 HA GLU A 48 4.988 7.574 -14.177 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.917 8.587 -16.244 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.838 6.839 -16.331 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.949 7.275 -18.378 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.460 7.384 -17.460 1.00 0.00 H new ATOM 770 N GLU A 49 2.547 9.218 -15.667 1.00 0.00 N ATOM 771 CA GLU A 49 1.762 10.445 -15.621 1.00 0.00 C ATOM 772 C GLU A 49 1.394 10.803 -14.184 1.00 0.00 C ATOM 773 O GLU A 49 1.291 11.978 -13.831 1.00 0.00 O ATOM 774 CB GLU A 49 0.492 10.296 -16.462 1.00 0.00 C ATOM 775 CG GLU A 49 -0.218 11.612 -16.731 1.00 0.00 C ATOM 776 CD GLU A 49 -1.473 11.779 -15.896 1.00 0.00 C ATOM 777 OE1 GLU A 49 -1.349 11.928 -14.662 1.00 0.00 O ATOM 778 OE2 GLU A 49 -2.579 11.761 -16.476 1.00 0.00 O ATOM 0 H GLU A 49 2.200 8.519 -16.324 1.00 0.00 H new ATOM 0 HA GLU A 49 2.370 11.250 -16.033 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.749 9.830 -17.413 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.194 9.620 -15.952 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.464 12.437 -16.525 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.479 11.671 -17.788 1.00 0.00 H new ATOM 785 N LYS A 50 1.197 9.781 -13.358 1.00 0.00 N ATOM 786 CA LYS A 50 0.842 9.984 -11.959 1.00 0.00 C ATOM 787 C LYS A 50 2.088 10.205 -11.108 1.00 0.00 C ATOM 788 O LYS A 50 2.107 11.067 -10.229 1.00 0.00 O ATOM 789 CB LYS A 50 0.056 8.782 -11.431 1.00 0.00 C ATOM 790 CG LYS A 50 -0.288 8.881 -9.954 1.00 0.00 C ATOM 791 CD LYS A 50 -0.907 7.593 -9.438 1.00 0.00 C ATOM 792 CE LYS A 50 -2.160 7.866 -8.620 1.00 0.00 C ATOM 793 NZ LYS A 50 -1.837 8.181 -7.201 1.00 0.00 N ATOM 0 H LYS A 50 1.277 8.802 -13.634 1.00 0.00 H new ATOM 0 HA LYS A 50 0.217 10.875 -11.894 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.866 8.681 -12.004 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.637 7.876 -11.600 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.613 9.106 -9.384 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.981 9.708 -9.795 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.154 6.944 -10.279 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.181 7.059 -8.826 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.708 8.699 -9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.816 6.996 -8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.717 8.361 -6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.336 7.377 -6.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.232 9.026 -7.162 1.00 0.00 H new ATOM 807 N PHE A 51 3.127 9.421 -11.374 1.00 0.00 N ATOM 808 CA PHE A 51 4.378 9.532 -10.633 1.00 0.00 C ATOM 809 C PHE A 51 5.070 10.859 -10.928 1.00 0.00 C ATOM 810 O PHE A 51 5.982 11.269 -10.211 1.00 0.00 O ATOM 811 CB PHE A 51 5.309 8.369 -10.985 1.00 0.00 C ATOM 812 CG PHE A 51 5.224 7.221 -10.021 1.00 0.00 C ATOM 813 CD1 PHE A 51 5.262 7.442 -8.654 1.00 0.00 C ATOM 814 CD2 PHE A 51 5.107 5.919 -10.482 1.00 0.00 C ATOM 815 CE1 PHE A 51 5.183 6.387 -7.764 1.00 0.00 C ATOM 816 CE2 PHE A 51 5.028 4.861 -9.597 1.00 0.00 C ATOM 817 CZ PHE A 51 5.068 5.095 -8.236 1.00 0.00 C ATOM 0 H PHE A 51 3.128 8.702 -12.097 1.00 0.00 H new ATOM 0 HA PHE A 51 4.145 9.493 -9.569 1.00 0.00 H new ATOM 0 HB2 PHE A 51 5.068 8.011 -11.986 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.336 8.733 -11.015 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.354 8.451 -8.279 1.00 0.00 H new ATOM 0 HD2 PHE A 51 5.077 5.729 -11.545 1.00 0.00 H new ATOM 0 HE1 PHE A 51 5.211 6.574 -6.701 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.935 3.851 -9.969 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.009 4.269 -7.543 1.00 0.00 H new ATOM 827 N ASN A 52 4.630 11.526 -11.990 1.00 0.00 N ATOM 828 CA ASN A 52 5.207 12.807 -12.382 1.00 0.00 C ATOM 829 C ASN A 52 6.638 12.629 -12.879 1.00 0.00 C ATOM 830 O ASN A 52 7.533 13.392 -12.515 1.00 0.00 O ATOM 831 CB ASN A 52 5.182 13.783 -11.204 1.00 0.00 C ATOM 832 CG ASN A 52 5.341 15.225 -11.645 1.00 0.00 C ATOM 833 OD1 ASN A 52 5.862 15.502 -12.725 1.00 0.00 O ATOM 834 ND2 ASN A 52 4.892 16.153 -10.807 1.00 0.00 N ATOM 0 H ASN A 52 3.876 11.201 -12.595 1.00 0.00 H new ATOM 0 HA ASN A 52 4.607 13.214 -13.195 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.242 13.673 -10.664 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.981 13.529 -10.508 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.972 17.141 -11.049 1.00 0.00 H new ATOM 0 HD22 ASN A 52 4.467 15.878 -9.922 1.00 0.00 H new ATOM 841 N VAL A 53 6.847 11.616 -13.714 1.00 0.00 N ATOM 842 CA VAL A 53 8.169 11.338 -14.264 1.00 0.00 C ATOM 843 C VAL A 53 8.166 11.446 -15.784 1.00 0.00 C ATOM 844 O VAL A 53 7.130 11.705 -16.398 1.00 0.00 O ATOM 845 CB VAL A 53 8.661 9.935 -13.860 1.00 0.00 C ATOM 846 CG1 VAL A 53 9.575 10.018 -12.647 1.00 0.00 C ATOM 847 CG2 VAL A 53 7.481 9.015 -13.587 1.00 0.00 C ATOM 0 H VAL A 53 6.118 10.974 -14.025 1.00 0.00 H new ATOM 0 HA VAL A 53 8.847 12.085 -13.852 1.00 0.00 H new ATOM 0 HB VAL A 53 9.234 9.518 -14.688 1.00 0.00 H new ATOM 0 HG11 VAL A 53 9.912 9.017 -12.377 1.00 0.00 H new ATOM 0 HG12 VAL A 53 10.438 10.640 -12.884 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.030 10.456 -11.810 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.847 8.028 -13.303 1.00 0.00 H new ATOM 0 HG22 VAL A 53 6.879 9.426 -12.776 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.870 8.930 -14.486 1.00 0.00 H new ATOM 857 N THR A 54 9.333 11.245 -16.389 1.00 0.00 N ATOM 858 CA THR A 54 9.466 11.320 -17.838 1.00 0.00 C ATOM 859 C THR A 54 10.115 10.059 -18.397 1.00 0.00 C ATOM 860 O THR A 54 11.336 9.990 -18.540 1.00 0.00 O ATOM 861 CB THR A 54 10.298 12.544 -18.263 1.00 0.00 C ATOM 862 OG1 THR A 54 9.843 13.711 -17.570 1.00 0.00 O ATOM 863 CG2 THR A 54 10.201 12.770 -19.765 1.00 0.00 C ATOM 0 H THR A 54 10.200 11.029 -15.897 1.00 0.00 H new ATOM 0 HA THR A 54 8.459 11.416 -18.243 1.00 0.00 H new ATOM 0 HB THR A 54 11.340 12.353 -18.007 1.00 0.00 H new ATOM 0 HG1 THR A 54 10.379 14.484 -17.845 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.797 13.640 -20.041 1.00 0.00 H new ATOM 0 HG22 THR A 54 10.576 11.892 -20.290 1.00 0.00 H new ATOM 0 HG23 THR A 54 9.160 12.941 -20.041 1.00 0.00 H new ATOM 871 N ILE A 55 9.292 9.064 -18.711 1.00 0.00 N ATOM 872 CA ILE A 55 9.787 7.806 -19.256 1.00 0.00 C ATOM 873 C ILE A 55 8.947 7.354 -20.445 1.00 0.00 C ATOM 874 O ILE A 55 7.846 7.856 -20.667 1.00 0.00 O ATOM 875 CB ILE A 55 9.790 6.694 -18.191 1.00 0.00 C ATOM 876 CG1 ILE A 55 9.799 7.302 -16.787 1.00 0.00 C ATOM 877 CG2 ILE A 55 10.990 5.778 -18.384 1.00 0.00 C ATOM 878 CD1 ILE A 55 8.418 7.634 -16.264 1.00 0.00 C ATOM 0 H ILE A 55 8.279 9.105 -18.597 1.00 0.00 H new ATOM 0 HA ILE A 55 10.811 7.985 -19.585 1.00 0.00 H new ATOM 0 HB ILE A 55 8.882 6.101 -18.305 1.00 0.00 H new ATOM 0 HG12 ILE A 55 10.281 6.605 -16.101 1.00 0.00 H new ATOM 0 HG13 ILE A 55 10.403 8.209 -16.796 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.978 4.997 -17.623 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.944 5.322 -19.373 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.909 6.358 -18.294 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.500 8.061 -15.265 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.941 8.355 -16.928 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.817 6.726 -16.222 1.00 0.00 H new ATOM 890 N SER A 56 9.475 6.400 -21.206 1.00 0.00 N ATOM 891 CA SER A 56 8.774 5.880 -22.375 1.00 0.00 C ATOM 892 C SER A 56 9.625 4.841 -23.100 1.00 0.00 C ATOM 893 O SER A 56 9.384 3.639 -22.990 1.00 0.00 O ATOM 894 CB SER A 56 8.417 7.020 -23.330 1.00 0.00 C ATOM 895 OG SER A 56 7.074 7.434 -23.150 1.00 0.00 O ATOM 0 H SER A 56 10.385 5.972 -21.034 1.00 0.00 H new ATOM 0 HA SER A 56 7.856 5.400 -22.035 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.087 7.863 -23.161 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.566 6.696 -24.360 1.00 0.00 H new ATOM 0 HG SER A 56 6.938 7.707 -22.219 1.00 0.00 H new ATOM 901 N ASP A 57 10.620 5.315 -23.841 1.00 0.00 N ATOM 902 CA ASP A 57 11.508 4.428 -24.585 1.00 0.00 C ATOM 903 C ASP A 57 12.252 3.488 -23.641 1.00 0.00 C ATOM 904 O ASP A 57 12.783 2.462 -24.064 1.00 0.00 O ATOM 905 CB ASP A 57 12.509 5.244 -25.405 1.00 0.00 C ATOM 906 CG ASP A 57 12.523 4.843 -26.867 1.00 0.00 C ATOM 907 OD1 ASP A 57 11.557 5.179 -27.584 1.00 0.00 O ATOM 908 OD2 ASP A 57 13.500 4.193 -27.294 1.00 0.00 O ATOM 0 H ASP A 57 10.832 6.307 -23.943 1.00 0.00 H new ATOM 0 HA ASP A 57 10.899 3.828 -25.262 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.263 6.303 -25.324 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.507 5.116 -24.986 1.00 0.00 H new ATOM 913 N GLN A 58 12.287 3.848 -22.362 1.00 0.00 N ATOM 914 CA GLN A 58 12.968 3.037 -21.359 1.00 0.00 C ATOM 915 C GLN A 58 11.962 2.301 -20.480 1.00 0.00 C ATOM 916 O GLN A 58 12.175 1.147 -20.109 1.00 0.00 O ATOM 917 CB GLN A 58 13.875 3.913 -20.494 1.00 0.00 C ATOM 918 CG GLN A 58 14.758 4.854 -21.297 1.00 0.00 C ATOM 919 CD GLN A 58 15.641 4.122 -22.289 1.00 0.00 C ATOM 920 OE1 GLN A 58 16.309 3.148 -21.941 1.00 0.00 O ATOM 921 NE2 GLN A 58 15.649 4.589 -23.532 1.00 0.00 N ATOM 0 H GLN A 58 11.852 4.695 -21.996 1.00 0.00 H new ATOM 0 HA GLN A 58 13.578 2.298 -21.879 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.258 4.500 -19.813 1.00 0.00 H new ATOM 0 HB3 GLN A 58 14.507 3.272 -19.879 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.131 5.567 -21.832 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.384 5.429 -20.615 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.079 5.399 -23.776 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.225 4.137 -24.243 1.00 0.00 H new ATOM 930 N ASP A 59 10.867 2.976 -20.150 1.00 0.00 N ATOM 931 CA ASP A 59 9.827 2.386 -19.315 1.00 0.00 C ATOM 932 C ASP A 59 9.405 1.023 -19.854 1.00 0.00 C ATOM 933 O ASP A 59 9.342 0.044 -19.112 1.00 0.00 O ATOM 934 CB ASP A 59 8.616 3.316 -19.239 1.00 0.00 C ATOM 935 CG ASP A 59 8.301 3.742 -17.818 1.00 0.00 C ATOM 936 OD1 ASP A 59 9.243 3.837 -17.004 1.00 0.00 O ATOM 937 OD2 ASP A 59 7.112 3.981 -17.520 1.00 0.00 O ATOM 0 H ASP A 59 10.676 3.933 -20.448 1.00 0.00 H new ATOM 0 HA ASP A 59 10.234 2.250 -18.313 1.00 0.00 H new ATOM 0 HB2 ASP A 59 8.802 4.201 -19.848 1.00 0.00 H new ATOM 0 HB3 ASP A 59 7.748 2.813 -19.665 1.00 0.00 H new ATOM 942 N ALA A 60 9.116 0.969 -21.150 1.00 0.00 N ATOM 943 CA ALA A 60 8.700 -0.274 -21.789 1.00 0.00 C ATOM 944 C ALA A 60 9.728 -1.378 -21.562 1.00 0.00 C ATOM 945 O ALA A 60 9.403 -2.564 -21.623 1.00 0.00 O ATOM 946 CB ALA A 60 8.479 -0.054 -23.278 1.00 0.00 C ATOM 0 H ALA A 60 9.162 1.771 -21.778 1.00 0.00 H new ATOM 0 HA ALA A 60 7.760 -0.590 -21.337 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.169 -0.990 -23.742 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.703 0.698 -23.424 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.407 0.289 -23.737 1.00 0.00 H new ATOM 952 N LEU A 61 10.968 -0.980 -21.300 1.00 0.00 N ATOM 953 CA LEU A 61 12.044 -1.936 -21.065 1.00 0.00 C ATOM 954 C LEU A 61 12.570 -1.824 -19.637 1.00 0.00 C ATOM 955 O LEU A 61 13.653 -2.317 -19.322 1.00 0.00 O ATOM 956 CB LEU A 61 13.184 -1.707 -22.059 1.00 0.00 C ATOM 957 CG LEU A 61 13.668 -0.264 -22.204 1.00 0.00 C ATOM 958 CD1 LEU A 61 14.657 0.081 -21.101 1.00 0.00 C ATOM 959 CD2 LEU A 61 14.296 -0.047 -23.573 1.00 0.00 C ATOM 0 H LEU A 61 11.253 -0.002 -21.245 1.00 0.00 H new ATOM 0 HA LEU A 61 11.642 -2.939 -21.208 1.00 0.00 H new ATOM 0 HB2 LEU A 61 14.031 -2.325 -21.759 1.00 0.00 H new ATOM 0 HB3 LEU A 61 12.862 -2.061 -23.038 1.00 0.00 H new ATOM 0 HG LEU A 61 12.807 0.398 -22.112 1.00 0.00 H new ATOM 0 HD11 LEU A 61 14.990 1.112 -21.221 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.174 -0.034 -20.130 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.516 -0.587 -21.160 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.635 0.986 -23.658 1.00 0.00 H new ATOM 0 HD22 LEU A 61 15.146 -0.719 -23.694 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.558 -0.252 -24.348 1.00 0.00 H new ATOM 971 N LYS A 62 11.794 -1.174 -18.776 1.00 0.00 N ATOM 972 CA LYS A 62 12.178 -0.999 -17.381 1.00 0.00 C ATOM 973 C LYS A 62 11.119 -1.579 -16.448 1.00 0.00 C ATOM 974 O LYS A 62 11.406 -1.906 -15.296 1.00 0.00 O ATOM 975 CB LYS A 62 12.390 0.484 -17.070 1.00 0.00 C ATOM 976 CG LYS A 62 13.442 0.739 -16.005 1.00 0.00 C ATOM 977 CD LYS A 62 13.766 2.219 -15.883 1.00 0.00 C ATOM 978 CE LYS A 62 14.625 2.698 -17.043 1.00 0.00 C ATOM 979 NZ LYS A 62 15.962 3.167 -16.586 1.00 0.00 N ATOM 0 H LYS A 62 10.895 -0.760 -19.021 1.00 0.00 H new ATOM 0 HA LYS A 62 13.113 -1.535 -17.218 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.679 1.001 -17.985 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.444 0.917 -16.745 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.088 0.363 -15.045 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.349 0.186 -16.249 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.841 2.794 -15.852 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.287 2.402 -14.943 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.750 1.888 -17.761 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.114 3.508 -17.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 16.517 3.485 -17.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.844 3.957 -15.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.460 2.387 -16.112 1.00 0.00 H new ATOM 993 N ILE A 63 9.897 -1.703 -16.954 1.00 0.00 N ATOM 994 CA ILE A 63 8.797 -2.246 -16.166 1.00 0.00 C ATOM 995 C ILE A 63 8.438 -3.656 -16.622 1.00 0.00 C ATOM 996 O ILE A 63 7.784 -4.405 -15.898 1.00 0.00 O ATOM 997 CB ILE A 63 7.545 -1.354 -16.259 1.00 0.00 C ATOM 998 CG1 ILE A 63 7.791 -0.017 -15.556 1.00 0.00 C ATOM 999 CG2 ILE A 63 6.343 -2.063 -15.653 1.00 0.00 C ATOM 1000 CD1 ILE A 63 8.481 1.007 -16.430 1.00 0.00 C ATOM 0 H ILE A 63 9.643 -1.435 -17.905 1.00 0.00 H new ATOM 0 HA ILE A 63 9.135 -2.277 -15.130 1.00 0.00 H new ATOM 0 HB ILE A 63 7.335 -1.157 -17.310 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.837 0.388 -15.219 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.396 -0.190 -14.666 1.00 0.00 H new ATOM 0 HG21 ILE A 63 5.466 -1.420 -15.726 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.158 -2.992 -16.193 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.543 -2.286 -14.605 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.623 1.929 -15.867 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.451 0.622 -16.746 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.867 1.209 -17.308 1.00 0.00 H new ATOM 1012 N ASN A 64 8.871 -4.011 -17.827 1.00 0.00 N ATOM 1013 CA ASN A 64 8.596 -5.332 -18.380 1.00 0.00 C ATOM 1014 C ASN A 64 8.845 -6.420 -17.339 1.00 0.00 C ATOM 1015 O ASN A 64 8.158 -7.442 -17.315 1.00 0.00 O ATOM 1016 CB ASN A 64 9.466 -5.583 -19.614 1.00 0.00 C ATOM 1017 CG ASN A 64 10.916 -5.844 -19.256 1.00 0.00 C ATOM 1018 OD1 ASN A 64 11.491 -6.858 -19.650 1.00 0.00 O ATOM 1019 ND2 ASN A 64 11.514 -4.928 -18.503 1.00 0.00 N ATOM 0 H ASN A 64 9.414 -3.402 -18.439 1.00 0.00 H new ATOM 0 HA ASN A 64 7.546 -5.365 -18.671 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.072 -6.436 -20.166 1.00 0.00 H new ATOM 0 HB3 ASN A 64 9.408 -4.720 -20.278 1.00 0.00 H new ATOM 0 HD21 ASN A 64 12.489 -5.050 -18.229 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.998 -4.102 -18.199 1.00 0.00 H new ATOM 1026 N THR A 65 9.832 -6.193 -16.478 1.00 0.00 N ATOM 1027 CA THR A 65 10.173 -7.152 -15.435 1.00 0.00 C ATOM 1028 C THR A 65 9.756 -6.641 -14.061 1.00 0.00 C ATOM 1029 O THR A 65 10.157 -5.555 -13.643 1.00 0.00 O ATOM 1030 CB THR A 65 11.683 -7.454 -15.421 1.00 0.00 C ATOM 1031 OG1 THR A 65 12.366 -6.504 -14.596 1.00 0.00 O ATOM 1032 CG2 THR A 65 12.256 -7.413 -16.830 1.00 0.00 C ATOM 0 H THR A 65 10.410 -5.352 -16.483 1.00 0.00 H new ATOM 0 HA THR A 65 9.629 -8.069 -15.659 1.00 0.00 H new ATOM 0 HB THR A 65 11.826 -8.456 -15.016 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.288 -6.802 -14.449 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.324 -7.629 -16.795 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.755 -8.158 -17.448 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.100 -6.422 -17.257 1.00 0.00 H new ATOM 1040 N VAL A 66 8.948 -7.432 -13.361 1.00 0.00 N ATOM 1041 CA VAL A 66 8.478 -7.060 -12.032 1.00 0.00 C ATOM 1042 C VAL A 66 9.601 -6.447 -11.203 1.00 0.00 C ATOM 1043 O VAL A 66 9.386 -5.488 -10.463 1.00 0.00 O ATOM 1044 CB VAL A 66 7.904 -8.276 -11.279 1.00 0.00 C ATOM 1045 CG1 VAL A 66 7.525 -7.893 -9.857 1.00 0.00 C ATOM 1046 CG2 VAL A 66 6.707 -8.847 -12.024 1.00 0.00 C ATOM 0 H VAL A 66 8.606 -8.334 -13.692 1.00 0.00 H new ATOM 0 HA VAL A 66 7.688 -6.322 -12.171 1.00 0.00 H new ATOM 0 HB VAL A 66 8.673 -9.047 -11.229 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.122 -8.764 -9.341 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.409 -7.535 -9.329 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.773 -7.105 -9.881 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.314 -9.705 -11.478 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.933 -8.084 -12.107 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.015 -9.161 -13.021 1.00 0.00 H new ATOM 1056 N GLN A 67 10.799 -7.007 -11.334 1.00 0.00 N ATOM 1057 CA GLN A 67 11.957 -6.514 -10.597 1.00 0.00 C ATOM 1058 C GLN A 67 12.336 -5.110 -11.054 1.00 0.00 C ATOM 1059 O GLN A 67 12.344 -4.169 -10.261 1.00 0.00 O ATOM 1060 CB GLN A 67 13.144 -7.461 -10.778 1.00 0.00 C ATOM 1061 CG GLN A 67 14.450 -6.911 -10.228 1.00 0.00 C ATOM 1062 CD GLN A 67 14.389 -6.643 -8.738 1.00 0.00 C ATOM 1063 OE1 GLN A 67 14.538 -7.556 -7.924 1.00 0.00 O ATOM 1064 NE2 GLN A 67 14.169 -5.386 -8.370 1.00 0.00 N ATOM 0 H GLN A 67 10.993 -7.802 -11.943 1.00 0.00 H new ATOM 0 HA GLN A 67 11.693 -6.473 -9.540 1.00 0.00 H new ATOM 0 HB2 GLN A 67 12.922 -8.407 -10.285 1.00 0.00 H new ATOM 0 HB3 GLN A 67 13.268 -7.676 -11.839 1.00 0.00 H new ATOM 0 HG2 GLN A 67 15.253 -7.619 -10.433 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.699 -5.987 -10.750 1.00 0.00 H new ATOM 0 HE21 GLN A 67 14.051 -4.661 -9.077 1.00 0.00 H new ATOM 0 HE22 GLN A 67 14.118 -5.146 -7.380 1.00 0.00 H new ATOM 1073 N ASP A 68 12.651 -4.976 -12.338 1.00 0.00 N ATOM 1074 CA ASP A 68 13.031 -3.686 -12.902 1.00 0.00 C ATOM 1075 C ASP A 68 11.931 -2.653 -12.685 1.00 0.00 C ATOM 1076 O ASP A 68 12.206 -1.465 -12.515 1.00 0.00 O ATOM 1077 CB ASP A 68 13.329 -3.826 -14.396 1.00 0.00 C ATOM 1078 CG ASP A 68 14.083 -2.634 -14.950 1.00 0.00 C ATOM 1079 OD1 ASP A 68 14.099 -1.580 -14.281 1.00 0.00 O ATOM 1080 OD2 ASP A 68 14.656 -2.754 -16.053 1.00 0.00 O ATOM 0 H ASP A 68 12.651 -5.745 -13.008 1.00 0.00 H new ATOM 0 HA ASP A 68 13.931 -3.345 -12.390 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.913 -4.731 -14.564 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.392 -3.945 -14.941 1.00 0.00 H new ATOM 1085 N ALA A 69 10.684 -3.113 -12.693 1.00 0.00 N ATOM 1086 CA ALA A 69 9.542 -2.228 -12.496 1.00 0.00 C ATOM 1087 C ALA A 69 9.653 -1.474 -11.176 1.00 0.00 C ATOM 1088 O ALA A 69 9.781 -0.249 -11.159 1.00 0.00 O ATOM 1089 CB ALA A 69 8.245 -3.022 -12.546 1.00 0.00 C ATOM 0 H ALA A 69 10.439 -4.093 -12.834 1.00 0.00 H new ATOM 0 HA ALA A 69 9.538 -1.495 -13.303 1.00 0.00 H new ATOM 0 HB1 ALA A 69 7.400 -2.349 -12.397 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.154 -3.510 -13.517 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.250 -3.777 -11.760 1.00 0.00 H new ATOM 1095 N ILE A 70 9.603 -2.212 -10.072 1.00 0.00 N ATOM 1096 CA ILE A 70 9.698 -1.611 -8.747 1.00 0.00 C ATOM 1097 C ILE A 70 10.966 -0.775 -8.613 1.00 0.00 C ATOM 1098 O ILE A 70 10.999 0.207 -7.872 1.00 0.00 O ATOM 1099 CB ILE A 70 9.683 -2.683 -7.641 1.00 0.00 C ATOM 1100 CG1 ILE A 70 9.973 -2.047 -6.281 1.00 0.00 C ATOM 1101 CG2 ILE A 70 10.697 -3.775 -7.948 1.00 0.00 C ATOM 1102 CD1 ILE A 70 11.433 -2.100 -5.887 1.00 0.00 C ATOM 0 H ILE A 70 9.497 -3.227 -10.069 1.00 0.00 H new ATOM 0 HA ILE A 70 8.827 -0.967 -8.629 1.00 0.00 H new ATOM 0 HB ILE A 70 8.691 -3.134 -7.606 1.00 0.00 H new ATOM 0 HG12 ILE A 70 9.648 -1.007 -6.299 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.381 -2.553 -5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.675 -4.525 -7.157 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.450 -4.244 -8.900 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.694 -3.339 -8.007 1.00 0.00 H new ATOM 0 HD11 ILE A 70 11.564 -1.631 -4.912 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.759 -3.139 -5.836 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.029 -1.569 -6.628 1.00 0.00 H new ATOM 1114 N ASP A 71 12.008 -1.171 -9.335 1.00 0.00 N ATOM 1115 CA ASP A 71 13.279 -0.457 -9.299 1.00 0.00 C ATOM 1116 C ASP A 71 13.199 0.836 -10.105 1.00 0.00 C ATOM 1117 O ASP A 71 13.947 1.782 -9.856 1.00 0.00 O ATOM 1118 CB ASP A 71 14.402 -1.342 -9.843 1.00 0.00 C ATOM 1119 CG ASP A 71 15.721 -1.104 -9.135 1.00 0.00 C ATOM 1120 OD1 ASP A 71 15.830 -1.471 -7.946 1.00 0.00 O ATOM 1121 OD2 ASP A 71 16.644 -0.550 -9.768 1.00 0.00 O ATOM 0 H ASP A 71 11.998 -1.983 -9.953 1.00 0.00 H new ATOM 0 HA ASP A 71 13.496 -0.205 -8.261 1.00 0.00 H new ATOM 0 HB2 ASP A 71 14.119 -2.389 -9.736 1.00 0.00 H new ATOM 0 HB3 ASP A 71 14.526 -1.152 -10.909 1.00 0.00 H new ATOM 1126 N TYR A 72 12.288 0.870 -11.071 1.00 0.00 N ATOM 1127 CA TYR A 72 12.112 2.045 -11.915 1.00 0.00 C ATOM 1128 C TYR A 72 11.346 3.138 -11.176 1.00 0.00 C ATOM 1129 O TYR A 72 11.571 4.328 -11.399 1.00 0.00 O ATOM 1130 CB TYR A 72 11.372 1.669 -13.201 1.00 0.00 C ATOM 1131 CG TYR A 72 10.166 2.537 -13.481 1.00 0.00 C ATOM 1132 CD1 TYR A 72 10.313 3.827 -13.976 1.00 0.00 C ATOM 1133 CD2 TYR A 72 8.879 2.066 -13.251 1.00 0.00 C ATOM 1134 CE1 TYR A 72 9.214 4.623 -14.232 1.00 0.00 C ATOM 1135 CE2 TYR A 72 7.774 2.855 -13.506 1.00 0.00 C ATOM 1136 CZ TYR A 72 7.946 4.133 -13.996 1.00 0.00 C ATOM 1137 OH TYR A 72 6.848 4.922 -14.251 1.00 0.00 O ATOM 0 H TYR A 72 11.660 0.097 -11.289 1.00 0.00 H new ATOM 0 HA TYR A 72 13.100 2.428 -12.170 1.00 0.00 H new ATOM 0 HB2 TYR A 72 12.063 1.739 -14.041 1.00 0.00 H new ATOM 0 HB3 TYR A 72 11.053 0.629 -13.136 1.00 0.00 H new ATOM 0 HD1 TYR A 72 11.304 4.214 -14.164 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.740 1.066 -12.866 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.346 5.624 -14.615 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.781 2.473 -13.323 1.00 0.00 H new ATOM 0 HH TYR A 72 6.031 4.427 -14.032 1.00 0.00 H new ATOM 1147 N ILE A 73 10.442 2.724 -10.294 1.00 0.00 N ATOM 1148 CA ILE A 73 9.645 3.667 -9.519 1.00 0.00 C ATOM 1149 C ILE A 73 10.395 4.129 -8.275 1.00 0.00 C ATOM 1150 O ILE A 73 10.163 5.228 -7.771 1.00 0.00 O ATOM 1151 CB ILE A 73 8.299 3.049 -9.094 1.00 0.00 C ATOM 1152 CG1 ILE A 73 8.527 1.920 -8.087 1.00 0.00 C ATOM 1153 CG2 ILE A 73 7.544 2.537 -10.311 1.00 0.00 C ATOM 1154 CD1 ILE A 73 7.253 1.414 -7.448 1.00 0.00 C ATOM 0 H ILE A 73 10.243 1.743 -10.099 1.00 0.00 H new ATOM 0 HA ILE A 73 9.455 4.525 -10.164 1.00 0.00 H new ATOM 0 HB ILE A 73 7.696 3.821 -8.615 1.00 0.00 H new ATOM 0 HG12 ILE A 73 9.026 1.091 -8.589 1.00 0.00 H new ATOM 0 HG13 ILE A 73 9.201 2.271 -7.306 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.595 2.103 -9.995 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.355 3.363 -10.996 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.140 1.777 -10.816 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.491 0.615 -6.746 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.763 2.230 -6.917 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.586 1.032 -8.220 1.00 0.00 H new ATOM 1166 N GLU A 74 11.296 3.283 -7.785 1.00 0.00 N ATOM 1167 CA GLU A 74 12.081 3.606 -6.599 1.00 0.00 C ATOM 1168 C GLU A 74 13.316 4.422 -6.970 1.00 0.00 C ATOM 1169 O GLU A 74 13.841 5.181 -6.156 1.00 0.00 O ATOM 1170 CB GLU A 74 12.501 2.326 -5.874 1.00 0.00 C ATOM 1171 CG GLU A 74 11.342 1.584 -5.229 1.00 0.00 C ATOM 1172 CD GLU A 74 10.729 2.352 -4.074 1.00 0.00 C ATOM 1173 OE1 GLU A 74 11.480 3.038 -3.351 1.00 0.00 O ATOM 1174 OE2 GLU A 74 9.496 2.266 -3.894 1.00 0.00 O ATOM 0 H GLU A 74 11.500 2.370 -8.191 1.00 0.00 H new ATOM 0 HA GLU A 74 11.458 4.204 -5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.997 1.663 -6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.233 2.577 -5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.576 1.391 -5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.690 0.614 -4.872 1.00 0.00 H new ATOM 1181 N LYS A 75 13.776 4.259 -8.206 1.00 0.00 N ATOM 1182 CA LYS A 75 14.948 4.979 -8.688 1.00 0.00 C ATOM 1183 C LYS A 75 14.565 6.365 -9.196 1.00 0.00 C ATOM 1184 O LYS A 75 15.332 7.318 -9.067 1.00 0.00 O ATOM 1185 CB LYS A 75 15.636 4.188 -9.802 1.00 0.00 C ATOM 1186 CG LYS A 75 14.877 4.204 -11.118 1.00 0.00 C ATOM 1187 CD LYS A 75 15.337 5.343 -12.013 1.00 0.00 C ATOM 1188 CE LYS A 75 16.359 4.871 -13.035 1.00 0.00 C ATOM 1189 NZ LYS A 75 16.760 5.964 -13.964 1.00 0.00 N ATOM 0 H LYS A 75 13.354 3.634 -8.893 1.00 0.00 H new ATOM 0 HA LYS A 75 15.640 5.096 -7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.634 4.596 -9.963 1.00 0.00 H new ATOM 0 HB3 LYS A 75 15.763 3.155 -9.478 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.020 3.254 -11.633 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.809 4.302 -10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.478 5.772 -12.528 1.00 0.00 H new ATOM 0 HD3 LYS A 75 15.771 6.135 -11.402 1.00 0.00 H new ATOM 0 HE2 LYS A 75 17.241 4.492 -12.518 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.944 4.042 -13.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.458 5.602 -14.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.923 6.309 -14.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 17.180 6.745 -13.420 1.00 0.00 H new ATOM 1203 N ASN A 76 13.372 6.469 -9.774 1.00 0.00 N ATOM 1204 CA ASN A 76 12.887 7.740 -10.301 1.00 0.00 C ATOM 1205 C ASN A 76 12.242 8.575 -9.199 1.00 0.00 C ATOM 1206 O ASN A 76 12.722 9.657 -8.865 1.00 0.00 O ATOM 1207 CB ASN A 76 11.880 7.497 -11.428 1.00 0.00 C ATOM 1208 CG ASN A 76 12.553 7.321 -12.776 1.00 0.00 C ATOM 1209 OD1 ASN A 76 13.646 7.837 -13.008 1.00 0.00 O ATOM 1210 ND2 ASN A 76 11.900 6.591 -13.672 1.00 0.00 N ATOM 0 H ASN A 76 12.724 5.690 -9.889 1.00 0.00 H new ATOM 0 HA ASN A 76 13.740 8.290 -10.697 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.291 6.609 -11.200 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.186 8.336 -11.478 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.302 6.439 -14.597 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.996 6.182 -13.436 1.00 0.00 H new ATOM 1217 N ASN A 77 11.151 8.064 -8.638 1.00 0.00 N ATOM 1218 CA ASN A 77 10.439 8.762 -7.574 1.00 0.00 C ATOM 1219 C ASN A 77 11.239 8.732 -6.275 1.00 0.00 C ATOM 1220 O ASN A 77 11.309 9.727 -5.553 1.00 0.00 O ATOM 1221 CB ASN A 77 9.063 8.132 -7.353 1.00 0.00 C ATOM 1222 CG ASN A 77 8.317 7.901 -8.653 1.00 0.00 C ATOM 1223 OD1 ASN A 77 7.874 8.848 -9.304 1.00 0.00 O ATOM 1224 ND2 ASN A 77 8.175 6.638 -9.038 1.00 0.00 N ATOM 0 H ASN A 77 10.741 7.169 -8.903 1.00 0.00 H new ATOM 0 HA ASN A 77 10.310 9.801 -7.878 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.181 7.182 -6.831 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.470 8.779 -6.707 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.683 6.421 -9.905 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.558 5.885 -8.467 1.00 0.00 H new