USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 606 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 13 TYR OH : rot 180:sc= -2.15! USER MOD Set 1.2: A 34 THR OG1 : rot 169:sc= 0.236 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 169:sc= -0.104 (180deg=-0.198) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -110:sc= -1.33 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= -5.33! K(o=-5.3!,f=-2.3) USER MOD Single : A 24 SER OG : rot -73:sc= -4.17! USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 159:sc= -0.0994 (180deg=-0.734) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0.0978 USER MOD Single : A 45 THR OG1 : rot 68:sc= -0.143! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -2.45 K(o=-2.4,f=-0.46) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0281 USER MOD Single : A 67 GLN : amide:sc= -2.7! K(o=-2.7!,f=-2.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.949! USER MOD Single : A 75 GLN : amide:sc= -3.99! C(o=-4!,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 4.508 12.085 9.025 1.00 0.00 N ATOM 2 CA MET A 0 4.130 11.842 7.604 1.00 0.00 C ATOM 3 C MET A 0 5.382 11.493 6.799 1.00 0.00 C ATOM 4 O MET A 0 5.394 11.572 5.586 1.00 0.00 O ATOM 5 CB MET A 0 3.489 13.104 7.026 1.00 0.00 C ATOM 6 CG MET A 0 1.986 13.091 7.313 1.00 0.00 C ATOM 7 SD MET A 0 1.168 14.334 6.281 1.00 0.00 S ATOM 8 CE MET A 0 1.498 15.760 7.343 1.00 0.00 C ATOM 0 H1 MET A 0 3.701 12.501 9.533 1.00 0.00 H new ATOM 0 H2 MET A 0 4.772 11.184 9.473 1.00 0.00 H new ATOM 0 H3 MET A 0 5.315 12.740 9.062 1.00 0.00 H new ATOM 0 HA MET A 0 3.420 11.016 7.551 1.00 0.00 H new ATOM 0 HB2 MET A 0 3.946 13.991 7.465 1.00 0.00 H new ATOM 0 HB3 MET A 0 3.664 13.154 5.951 1.00 0.00 H new ATOM 0 HG2 MET A 0 1.574 12.103 7.108 1.00 0.00 H new ATOM 0 HG3 MET A 0 1.804 13.300 8.367 1.00 0.00 H new ATOM 0 HE1 MET A 0 1.073 16.656 6.891 1.00 0.00 H new ATOM 0 HE2 MET A 0 1.046 15.598 8.321 1.00 0.00 H new ATOM 0 HE3 MET A 0 2.574 15.887 7.458 1.00 0.00 H new ATOM 18 N LYS A 1 6.436 11.109 7.463 1.00 0.00 N ATOM 19 CA LYS A 1 7.688 10.759 6.736 1.00 0.00 C ATOM 20 C LYS A 1 8.789 10.411 7.752 1.00 0.00 C ATOM 21 O LYS A 1 9.402 11.264 8.360 1.00 0.00 O ATOM 22 CB LYS A 1 8.116 11.938 5.870 1.00 0.00 C ATOM 23 CG LYS A 1 8.175 13.206 6.721 1.00 0.00 C ATOM 24 CD LYS A 1 9.208 14.168 6.131 1.00 0.00 C ATOM 25 CE LYS A 1 10.260 14.501 7.190 1.00 0.00 C ATOM 26 NZ LYS A 1 9.751 15.591 8.069 1.00 0.00 N ATOM 0 H LYS A 1 6.485 11.022 8.478 1.00 0.00 H new ATOM 0 HA LYS A 1 7.516 9.895 6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 1 9.092 11.740 5.426 1.00 0.00 H new ATOM 0 HB3 LYS A 1 7.413 12.072 5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 1 7.195 13.682 6.752 1.00 0.00 H new ATOM 0 HG3 LYS A 1 8.440 12.956 7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 1 9.684 13.718 5.260 1.00 0.00 H new ATOM 0 HD3 LYS A 1 8.718 15.080 5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 1 10.486 13.616 7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 1 11.189 14.809 6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 10.466 15.818 8.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 9.556 16.437 7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.875 15.280 8.536 1.00 0.00 H new ATOM 40 N SER A 2 9.045 9.149 7.909 1.00 0.00 N ATOM 41 CA SER A 2 10.080 8.667 8.820 1.00 0.00 C ATOM 42 C SER A 2 11.336 8.360 8.016 1.00 0.00 C ATOM 43 O SER A 2 11.266 8.162 6.821 1.00 0.00 O ATOM 44 CB SER A 2 9.543 7.378 9.433 1.00 0.00 C ATOM 45 OG SER A 2 8.405 6.939 8.702 1.00 0.00 O ATOM 0 H SER A 2 8.549 8.408 7.414 1.00 0.00 H new ATOM 0 HA SER A 2 10.322 9.402 9.588 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.315 6.608 9.420 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.275 7.544 10.477 1.00 0.00 H new ATOM 0 HG SER A 2 7.601 7.051 9.250 1.00 0.00 H new ATOM 51 N PRO A 3 12.446 8.276 8.689 1.00 0.00 N ATOM 52 CA PRO A 3 13.702 7.935 8.024 1.00 0.00 C ATOM 53 C PRO A 3 13.478 6.608 7.295 1.00 0.00 C ATOM 54 O PRO A 3 14.186 6.253 6.374 1.00 0.00 O ATOM 55 CB PRO A 3 14.724 7.797 9.163 1.00 0.00 C ATOM 56 CG PRO A 3 14.009 8.205 10.480 1.00 0.00 C ATOM 57 CD PRO A 3 12.539 8.502 10.140 1.00 0.00 C ATOM 0 HA PRO A 3 14.047 8.668 7.295 1.00 0.00 H new ATOM 0 HB2 PRO A 3 15.091 6.773 9.227 1.00 0.00 H new ATOM 0 HB3 PRO A 3 15.589 8.435 8.982 1.00 0.00 H new ATOM 0 HG2 PRO A 3 14.077 7.404 11.216 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.485 9.082 10.918 1.00 0.00 H new ATOM 0 HD2 PRO A 3 11.864 7.845 10.688 1.00 0.00 H new ATOM 0 HD3 PRO A 3 12.270 9.526 10.401 1.00 0.00 H new ATOM 65 N GLU A 4 12.466 5.887 7.712 1.00 0.00 N ATOM 66 CA GLU A 4 12.127 4.591 7.081 1.00 0.00 C ATOM 67 C GLU A 4 11.218 3.819 8.042 1.00 0.00 C ATOM 68 O GLU A 4 11.533 2.717 8.447 1.00 0.00 O ATOM 69 CB GLU A 4 13.407 3.790 6.823 1.00 0.00 C ATOM 70 CG GLU A 4 14.325 3.885 8.043 1.00 0.00 C ATOM 71 CD GLU A 4 15.333 2.734 8.016 1.00 0.00 C ATOM 72 OE1 GLU A 4 15.830 2.432 6.943 1.00 0.00 O ATOM 73 OE2 GLU A 4 15.590 2.172 9.068 1.00 0.00 O ATOM 0 H GLU A 4 11.852 6.156 8.481 1.00 0.00 H new ATOM 0 HA GLU A 4 11.621 4.754 6.130 1.00 0.00 H new ATOM 0 HB2 GLU A 4 13.161 2.748 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.917 4.175 5.940 1.00 0.00 H new ATOM 0 HG2 GLU A 4 14.849 4.841 8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 4 13.735 3.844 8.959 1.00 0.00 H new ATOM 80 N GLU A 5 10.093 4.384 8.426 1.00 0.00 N ATOM 81 CA GLU A 5 9.202 3.645 9.374 1.00 0.00 C ATOM 82 C GLU A 5 7.971 3.141 8.631 1.00 0.00 C ATOM 83 O GLU A 5 7.254 2.273 9.090 1.00 0.00 O ATOM 84 CB GLU A 5 8.770 4.576 10.493 1.00 0.00 C ATOM 85 CG GLU A 5 8.703 3.806 11.814 1.00 0.00 C ATOM 86 CD GLU A 5 10.111 3.671 12.398 1.00 0.00 C ATOM 87 OE1 GLU A 5 11.060 3.834 11.649 1.00 0.00 O ATOM 88 OE2 GLU A 5 10.216 3.407 13.585 1.00 0.00 O ATOM 0 H GLU A 5 9.762 5.302 8.131 1.00 0.00 H new ATOM 0 HA GLU A 5 9.744 2.798 9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 5 9.473 5.405 10.580 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.796 5.007 10.263 1.00 0.00 H new ATOM 0 HG2 GLU A 5 8.054 4.327 12.518 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.269 2.819 11.651 1.00 0.00 H new ATOM 95 N LEU A 6 7.727 3.693 7.486 1.00 0.00 N ATOM 96 CA LEU A 6 6.566 3.302 6.672 1.00 0.00 C ATOM 97 C LEU A 6 6.869 2.072 5.818 1.00 0.00 C ATOM 98 O LEU A 6 5.995 1.278 5.539 1.00 0.00 O ATOM 99 CB LEU A 6 6.159 4.566 5.931 1.00 0.00 C ATOM 100 CG LEU A 6 5.983 4.439 4.428 1.00 0.00 C ATOM 101 CD1 LEU A 6 7.155 3.715 3.756 1.00 0.00 C ATOM 102 CD2 LEU A 6 4.666 3.733 4.100 1.00 0.00 C ATOM 0 H LEU A 6 8.306 4.423 7.071 1.00 0.00 H new ATOM 0 HA LEU A 6 5.713 2.956 7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.221 4.925 6.356 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.910 5.332 6.124 1.00 0.00 H new ATOM 0 HG LEU A 6 5.960 5.452 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.977 3.652 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.077 4.267 3.939 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.246 2.710 4.168 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.557 3.651 3.019 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.668 2.736 4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.834 4.308 4.506 1.00 0.00 H new ATOM 114 N LYS A 7 8.096 1.885 5.423 1.00 0.00 N ATOM 115 CA LYS A 7 8.433 0.683 4.618 1.00 0.00 C ATOM 116 C LYS A 7 7.999 -0.560 5.396 1.00 0.00 C ATOM 117 O LYS A 7 7.855 -1.635 4.848 1.00 0.00 O ATOM 118 CB LYS A 7 9.943 0.642 4.392 1.00 0.00 C ATOM 119 CG LYS A 7 10.311 -0.625 3.615 1.00 0.00 C ATOM 120 CD LYS A 7 11.413 -1.379 4.363 1.00 0.00 C ATOM 121 CE LYS A 7 12.602 -1.604 3.428 1.00 0.00 C ATOM 122 NZ LYS A 7 12.382 -2.847 2.636 1.00 0.00 N ATOM 0 H LYS A 7 8.877 2.511 5.622 1.00 0.00 H new ATOM 0 HA LYS A 7 7.923 0.715 3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.262 1.526 3.839 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.465 0.659 5.349 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.434 -1.262 3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 7 10.650 -0.364 2.612 1.00 0.00 H new ATOM 0 HD2 LYS A 7 11.728 -0.811 5.238 1.00 0.00 H new ATOM 0 HD3 LYS A 7 11.034 -2.335 4.723 1.00 0.00 H new ATOM 0 HE2 LYS A 7 12.720 -0.751 2.760 1.00 0.00 H new ATOM 0 HE3 LYS A 7 13.523 -1.686 4.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 13.190 -3.001 2.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 12.290 -3.658 3.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 11.512 -2.751 2.074 1.00 0.00 H new ATOM 136 N GLY A 8 7.801 -0.416 6.680 1.00 0.00 N ATOM 137 CA GLY A 8 7.387 -1.581 7.514 1.00 0.00 C ATOM 138 C GLY A 8 6.212 -2.320 6.862 1.00 0.00 C ATOM 139 O GLY A 8 6.217 -3.530 6.755 1.00 0.00 O ATOM 0 H GLY A 8 7.909 0.462 7.188 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.228 -2.263 7.639 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.102 -1.240 8.509 1.00 0.00 H new ATOM 143 N ILE A 9 5.204 -1.611 6.428 1.00 0.00 N ATOM 144 CA ILE A 9 4.040 -2.285 5.792 1.00 0.00 C ATOM 145 C ILE A 9 4.541 -3.282 4.762 1.00 0.00 C ATOM 146 O ILE A 9 4.292 -4.458 4.850 1.00 0.00 O ATOM 147 CB ILE A 9 3.161 -1.234 5.113 1.00 0.00 C ATOM 148 CG1 ILE A 9 2.305 -1.878 4.005 1.00 0.00 C ATOM 149 CG2 ILE A 9 4.026 -0.093 4.572 1.00 0.00 C ATOM 150 CD1 ILE A 9 3.051 -1.897 2.680 1.00 0.00 C ATOM 0 H ILE A 9 5.138 -0.595 6.487 1.00 0.00 H new ATOM 0 HA ILE A 9 3.456 -2.811 6.547 1.00 0.00 H new ATOM 0 HB ILE A 9 2.476 -0.813 5.849 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.039 -2.896 4.291 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.373 -1.325 3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.389 0.649 4.091 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.569 0.373 5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.736 -0.488 3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.424 -2.357 1.916 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.294 -0.876 2.384 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.971 -2.472 2.789 1.00 0.00 H new ATOM 162 N PHE A 10 5.242 -2.817 3.786 1.00 0.00 N ATOM 163 CA PHE A 10 5.754 -3.744 2.751 1.00 0.00 C ATOM 164 C PHE A 10 6.223 -5.089 3.330 1.00 0.00 C ATOM 165 O PHE A 10 5.477 -6.040 3.375 1.00 0.00 O ATOM 166 CB PHE A 10 6.877 -3.074 1.967 1.00 0.00 C ATOM 167 CG PHE A 10 6.488 -2.907 0.528 1.00 0.00 C ATOM 168 CD1 PHE A 10 5.172 -2.643 0.132 1.00 0.00 C ATOM 169 CD2 PHE A 10 7.481 -3.102 -0.425 1.00 0.00 C ATOM 170 CE1 PHE A 10 4.865 -2.580 -1.239 1.00 0.00 C ATOM 171 CE2 PHE A 10 7.183 -3.028 -1.773 1.00 0.00 C ATOM 172 CZ PHE A 10 5.882 -2.774 -2.191 1.00 0.00 C ATOM 0 H PHE A 10 5.486 -1.835 3.655 1.00 0.00 H new ATOM 0 HA PHE A 10 4.924 -3.971 2.082 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.103 -2.101 2.404 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.785 -3.673 2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.400 -2.489 0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.492 -3.313 -0.110 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.853 -2.383 -1.559 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.965 -3.168 -2.505 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.652 -2.726 -3.245 1.00 0.00 H new ATOM 182 N GLU A 11 7.441 -5.193 3.751 1.00 0.00 N ATOM 183 CA GLU A 11 7.939 -6.498 4.302 1.00 0.00 C ATOM 184 C GLU A 11 6.865 -7.149 5.186 1.00 0.00 C ATOM 185 O GLU A 11 6.858 -8.345 5.403 1.00 0.00 O ATOM 186 CB GLU A 11 9.192 -6.242 5.143 1.00 0.00 C ATOM 187 CG GLU A 11 8.843 -5.315 6.310 1.00 0.00 C ATOM 188 CD GLU A 11 9.293 -5.955 7.625 1.00 0.00 C ATOM 189 OE1 GLU A 11 10.410 -6.442 7.672 1.00 0.00 O ATOM 190 OE2 GLU A 11 8.513 -5.946 8.563 1.00 0.00 O ATOM 0 H GLU A 11 8.125 -4.437 3.743 1.00 0.00 H new ATOM 0 HA GLU A 11 8.171 -7.167 3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 11 9.589 -7.185 5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 11 9.971 -5.792 4.527 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.330 -4.349 6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 11 7.769 -5.130 6.332 1.00 0.00 H new ATOM 197 N LYS A 12 5.966 -6.361 5.695 1.00 0.00 N ATOM 198 CA LYS A 12 4.877 -6.892 6.572 1.00 0.00 C ATOM 199 C LYS A 12 3.710 -7.416 5.726 1.00 0.00 C ATOM 200 O LYS A 12 3.591 -8.598 5.472 1.00 0.00 O ATOM 201 CB LYS A 12 4.381 -5.772 7.489 1.00 0.00 C ATOM 202 CG LYS A 12 3.208 -6.284 8.326 1.00 0.00 C ATOM 203 CD LYS A 12 3.742 -7.117 9.490 1.00 0.00 C ATOM 204 CE LYS A 12 3.373 -8.585 9.276 1.00 0.00 C ATOM 205 NZ LYS A 12 3.394 -9.298 10.585 1.00 0.00 N ATOM 0 H LYS A 12 5.934 -5.353 5.541 1.00 0.00 H new ATOM 0 HA LYS A 12 5.271 -7.716 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.188 -5.436 8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.071 -4.912 6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.622 -5.446 8.703 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.542 -6.886 7.709 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.824 -7.010 9.562 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.323 -6.759 10.430 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.384 -8.660 8.824 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.075 -9.051 8.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.143 -10.297 10.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.346 -9.237 10.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.707 -8.859 11.231 1.00 0.00 H new ATOM 219 N TYR A 13 2.837 -6.533 5.312 1.00 0.00 N ATOM 220 CA TYR A 13 1.655 -6.944 4.504 1.00 0.00 C ATOM 221 C TYR A 13 2.080 -7.237 3.067 1.00 0.00 C ATOM 222 O TYR A 13 1.515 -8.090 2.414 1.00 0.00 O ATOM 223 CB TYR A 13 0.634 -5.808 4.502 1.00 0.00 C ATOM 224 CG TYR A 13 0.415 -5.322 5.914 1.00 0.00 C ATOM 225 CD1 TYR A 13 1.230 -4.314 6.441 1.00 0.00 C ATOM 226 CD2 TYR A 13 -0.601 -5.881 6.697 1.00 0.00 C ATOM 227 CE1 TYR A 13 1.030 -3.862 7.750 1.00 0.00 C ATOM 228 CE2 TYR A 13 -0.802 -5.430 8.006 1.00 0.00 C ATOM 229 CZ TYR A 13 0.013 -4.420 8.533 1.00 0.00 C ATOM 230 OH TYR A 13 -0.185 -3.975 9.825 1.00 0.00 O ATOM 0 H TYR A 13 2.896 -5.533 5.503 1.00 0.00 H new ATOM 0 HA TYR A 13 1.217 -7.843 4.938 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.987 -4.989 3.875 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.308 -6.153 4.075 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.015 -3.884 5.836 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.229 -6.660 6.291 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.659 -3.084 8.156 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.586 -5.861 8.611 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.931 -4.465 10.229 1.00 0.00 H new ATOM 240 N ALA A 14 3.077 -6.562 2.561 1.00 0.00 N ATOM 241 CA ALA A 14 3.512 -6.872 1.171 1.00 0.00 C ATOM 242 C ALA A 14 4.084 -8.293 1.164 1.00 0.00 C ATOM 243 O ALA A 14 4.329 -8.872 0.124 1.00 0.00 O ATOM 244 CB ALA A 14 4.598 -5.881 0.711 1.00 0.00 C ATOM 0 H ALA A 14 3.598 -5.826 3.038 1.00 0.00 H new ATOM 0 HA ALA A 14 2.664 -6.790 0.491 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.904 -6.123 -0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.200 -4.867 0.739 1.00 0.00 H new ATOM 0 HB3 ALA A 14 5.460 -5.951 1.375 1.00 0.00 H new ATOM 250 N ASP A 15 4.322 -8.851 2.332 1.00 0.00 N ATOM 251 CA ASP A 15 4.903 -10.222 2.410 1.00 0.00 C ATOM 252 C ASP A 15 3.781 -11.258 2.461 1.00 0.00 C ATOM 253 O ASP A 15 4.005 -12.441 2.298 1.00 0.00 O ATOM 254 CB ASP A 15 5.765 -10.350 3.670 1.00 0.00 C ATOM 255 CG ASP A 15 6.555 -11.660 3.613 1.00 0.00 C ATOM 256 OD1 ASP A 15 6.373 -12.396 2.657 1.00 0.00 O ATOM 257 OD2 ASP A 15 7.326 -11.905 4.526 1.00 0.00 O ATOM 0 H ASP A 15 4.136 -8.410 3.233 1.00 0.00 H new ATOM 0 HA ASP A 15 5.519 -10.395 1.528 1.00 0.00 H new ATOM 0 HB2 ASP A 15 6.448 -9.504 3.745 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.135 -10.331 4.559 1.00 0.00 H new ATOM 262 N LYS A 16 2.575 -10.823 2.696 1.00 0.00 N ATOM 263 CA LYS A 16 1.430 -11.775 2.761 1.00 0.00 C ATOM 264 C LYS A 16 1.198 -12.376 1.376 1.00 0.00 C ATOM 265 O LYS A 16 0.749 -13.496 1.240 1.00 0.00 O ATOM 266 CB LYS A 16 0.175 -11.023 3.207 1.00 0.00 C ATOM 267 CG LYS A 16 -0.485 -11.769 4.368 1.00 0.00 C ATOM 268 CD LYS A 16 -0.179 -11.042 5.678 1.00 0.00 C ATOM 269 CE LYS A 16 -0.870 -11.761 6.837 1.00 0.00 C ATOM 270 NZ LYS A 16 -1.020 -10.820 7.983 1.00 0.00 N ATOM 0 H LYS A 16 2.331 -9.844 2.847 1.00 0.00 H new ATOM 0 HA LYS A 16 1.651 -12.571 3.472 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.436 -10.010 3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.523 -10.934 2.375 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.563 -11.825 4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.116 -12.794 4.413 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.898 -11.011 5.846 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.522 -10.009 5.621 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.847 -12.127 6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.287 -12.631 7.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.490 -11.307 8.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.081 -10.492 8.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.594 -10.004 7.689 1.00 0.00 H new ATOM 284 N GLU A 17 1.508 -11.640 0.346 1.00 0.00 N ATOM 285 CA GLU A 17 1.315 -12.169 -1.031 1.00 0.00 C ATOM 286 C GLU A 17 2.476 -13.101 -1.381 1.00 0.00 C ATOM 287 O GLU A 17 2.566 -13.614 -2.479 1.00 0.00 O ATOM 288 CB GLU A 17 1.276 -11.011 -2.018 1.00 0.00 C ATOM 289 CG GLU A 17 -0.091 -10.963 -2.701 1.00 0.00 C ATOM 290 CD GLU A 17 0.050 -11.426 -4.151 1.00 0.00 C ATOM 291 OE1 GLU A 17 0.687 -12.444 -4.369 1.00 0.00 O ATOM 292 OE2 GLU A 17 -0.481 -10.754 -5.021 1.00 0.00 O ATOM 0 H GLU A 17 1.887 -10.694 0.399 1.00 0.00 H new ATOM 0 HA GLU A 17 0.376 -12.720 -1.084 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.467 -10.072 -1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.062 -11.129 -2.764 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.797 -11.602 -2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.491 -9.950 -2.668 1.00 0.00 H new ATOM 299 N GLY A 18 3.366 -13.323 -0.452 1.00 0.00 N ATOM 300 CA GLY A 18 4.524 -14.218 -0.720 1.00 0.00 C ATOM 301 C GLY A 18 5.744 -13.381 -1.110 1.00 0.00 C ATOM 302 O GLY A 18 6.333 -13.584 -2.153 1.00 0.00 O ATOM 0 H GLY A 18 3.339 -12.920 0.485 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.748 -14.814 0.165 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.279 -14.916 -1.521 1.00 0.00 H new ATOM 306 N ASP A 19 6.139 -12.444 -0.284 1.00 0.00 N ATOM 307 CA ASP A 19 7.329 -11.616 -0.633 1.00 0.00 C ATOM 308 C ASP A 19 7.564 -10.518 0.411 1.00 0.00 C ATOM 309 O ASP A 19 8.358 -10.671 1.318 1.00 0.00 O ATOM 310 CB ASP A 19 7.128 -10.990 -2.017 1.00 0.00 C ATOM 311 CG ASP A 19 8.441 -11.061 -2.801 1.00 0.00 C ATOM 312 OD1 ASP A 19 9.209 -11.975 -2.552 1.00 0.00 O ATOM 313 OD2 ASP A 19 8.656 -10.200 -3.638 1.00 0.00 O ATOM 0 H ASP A 19 5.694 -12.220 0.606 1.00 0.00 H new ATOM 0 HA ASP A 19 8.208 -12.261 -0.646 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.341 -11.517 -2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 19 6.807 -9.953 -1.917 1.00 0.00 H new ATOM 318 N GLY A 20 6.908 -9.403 0.271 1.00 0.00 N ATOM 319 CA GLY A 20 7.118 -8.276 1.228 1.00 0.00 C ATOM 320 C GLY A 20 7.573 -7.067 0.422 1.00 0.00 C ATOM 321 O GLY A 20 7.557 -5.947 0.893 1.00 0.00 O ATOM 0 H GLY A 20 6.230 -9.219 -0.469 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.196 -8.053 1.765 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.866 -8.542 1.975 1.00 0.00 H new ATOM 325 N ASN A 21 7.991 -7.293 -0.797 1.00 0.00 N ATOM 326 CA ASN A 21 8.457 -6.178 -1.637 1.00 0.00 C ATOM 327 C ASN A 21 7.368 -5.747 -2.647 1.00 0.00 C ATOM 328 O ASN A 21 7.596 -4.901 -3.487 1.00 0.00 O ATOM 329 CB ASN A 21 9.708 -6.641 -2.378 1.00 0.00 C ATOM 330 CG ASN A 21 10.935 -6.394 -1.500 1.00 0.00 C ATOM 331 OD1 ASN A 21 11.535 -5.338 -1.555 1.00 0.00 O ATOM 332 ND2 ASN A 21 11.333 -7.331 -0.686 1.00 0.00 N ATOM 0 H ASN A 21 8.025 -8.212 -1.239 1.00 0.00 H new ATOM 0 HA ASN A 21 8.679 -5.314 -1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 21 9.629 -7.700 -2.623 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.807 -6.103 -3.321 1.00 0.00 H new ATOM 0 HD21 ASN A 21 12.149 -7.179 -0.094 1.00 0.00 H new ATOM 0 HD22 ASN A 21 10.828 -8.216 -0.641 1.00 0.00 H new ATOM 339 N GLN A 22 6.184 -6.307 -2.569 1.00 0.00 N ATOM 340 CA GLN A 22 5.081 -5.905 -3.510 1.00 0.00 C ATOM 341 C GLN A 22 3.757 -5.935 -2.743 1.00 0.00 C ATOM 342 O GLN A 22 3.607 -6.648 -1.772 1.00 0.00 O ATOM 343 CB GLN A 22 4.983 -6.848 -4.718 1.00 0.00 C ATOM 344 CG GLN A 22 6.374 -7.179 -5.267 1.00 0.00 C ATOM 345 CD GLN A 22 6.517 -8.694 -5.412 1.00 0.00 C ATOM 346 OE1 GLN A 22 6.685 -9.199 -6.504 1.00 0.00 O ATOM 347 NE2 GLN A 22 6.455 -9.446 -4.348 1.00 0.00 N ATOM 0 H GLN A 22 5.930 -7.028 -1.893 1.00 0.00 H new ATOM 0 HA GLN A 22 5.298 -4.906 -3.887 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.474 -7.767 -4.427 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.380 -6.384 -5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.520 -6.695 -6.233 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.142 -6.793 -4.597 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.314 -9.022 -3.431 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.548 -10.458 -4.433 1.00 0.00 H new ATOM 356 N LEU A 23 2.809 -5.135 -3.140 1.00 0.00 N ATOM 357 CA LEU A 23 1.523 -5.084 -2.394 1.00 0.00 C ATOM 358 C LEU A 23 0.334 -5.590 -3.223 1.00 0.00 C ATOM 359 O LEU A 23 0.474 -6.117 -4.304 1.00 0.00 O ATOM 360 CB LEU A 23 1.278 -3.626 -2.017 1.00 0.00 C ATOM 361 CG LEU A 23 1.677 -3.428 -0.564 1.00 0.00 C ATOM 362 CD1 LEU A 23 1.422 -1.980 -0.145 1.00 0.00 C ATOM 363 CD2 LEU A 23 0.864 -4.374 0.324 1.00 0.00 C ATOM 0 H LEU A 23 2.869 -4.515 -3.948 1.00 0.00 H new ATOM 0 HA LEU A 23 1.600 -5.733 -1.522 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.858 -2.966 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.228 -3.370 -2.160 1.00 0.00 H new ATOM 0 HG LEU A 23 2.739 -3.648 -0.451 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.711 -1.847 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.010 -1.311 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.363 -1.749 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.151 -4.231 1.366 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.198 -4.159 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.060 -5.406 0.032 1.00 0.00 H new ATOM 375 N SER A 24 -0.844 -5.415 -2.685 1.00 0.00 N ATOM 376 CA SER A 24 -2.084 -5.817 -3.335 1.00 0.00 C ATOM 377 C SER A 24 -3.173 -4.959 -2.685 1.00 0.00 C ATOM 378 O SER A 24 -2.884 -4.124 -1.852 1.00 0.00 O ATOM 379 CB SER A 24 -2.339 -7.293 -3.065 1.00 0.00 C ATOM 380 OG SER A 24 -1.120 -7.918 -2.684 1.00 0.00 O ATOM 0 H SER A 24 -0.982 -4.984 -1.771 1.00 0.00 H new ATOM 0 HA SER A 24 -2.056 -5.679 -4.416 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.082 -7.407 -2.276 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.744 -7.773 -3.956 1.00 0.00 H new ATOM 0 HG SER A 24 -0.541 -8.012 -3.469 1.00 0.00 H new ATOM 386 N LYS A 25 -4.403 -5.135 -3.035 1.00 0.00 N ATOM 387 CA LYS A 25 -5.466 -4.302 -2.402 1.00 0.00 C ATOM 388 C LYS A 25 -5.824 -4.864 -1.024 1.00 0.00 C ATOM 389 O LYS A 25 -6.315 -4.156 -0.167 1.00 0.00 O ATOM 390 CB LYS A 25 -6.710 -4.298 -3.283 1.00 0.00 C ATOM 391 CG LYS A 25 -7.356 -2.912 -3.237 1.00 0.00 C ATOM 392 CD LYS A 25 -8.227 -2.711 -4.480 1.00 0.00 C ATOM 393 CE LYS A 25 -9.175 -3.903 -4.640 1.00 0.00 C ATOM 394 NZ LYS A 25 -10.323 -3.514 -5.509 1.00 0.00 N ATOM 0 H LYS A 25 -4.727 -5.812 -3.726 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.094 -3.284 -2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -6.444 -4.554 -4.309 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -7.417 -5.053 -2.938 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.961 -2.811 -2.336 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.586 -2.142 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.799 -1.788 -4.390 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.598 -2.612 -5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -8.643 -4.747 -5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.537 -4.226 -3.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.966 -4.324 -5.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.835 -2.721 -5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -9.969 -3.226 -6.443 1.00 0.00 H new ATOM 408 N GLU A 26 -5.596 -6.130 -0.803 1.00 0.00 N ATOM 409 CA GLU A 26 -5.935 -6.727 0.517 1.00 0.00 C ATOM 410 C GLU A 26 -4.826 -6.438 1.533 1.00 0.00 C ATOM 411 O GLU A 26 -4.851 -6.943 2.638 1.00 0.00 O ATOM 412 CB GLU A 26 -6.103 -8.241 0.360 1.00 0.00 C ATOM 413 CG GLU A 26 -7.323 -8.704 1.156 1.00 0.00 C ATOM 414 CD GLU A 26 -7.318 -10.230 1.261 1.00 0.00 C ATOM 415 OE1 GLU A 26 -6.559 -10.746 2.065 1.00 0.00 O ATOM 416 OE2 GLU A 26 -8.078 -10.857 0.540 1.00 0.00 O ATOM 0 H GLU A 26 -5.190 -6.775 -1.480 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.865 -6.287 0.877 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.224 -8.497 -0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.209 -8.755 0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.310 -8.261 2.152 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.238 -8.366 0.669 1.00 0.00 H new ATOM 423 N GLU A 27 -3.845 -5.650 1.182 1.00 0.00 N ATOM 424 CA GLU A 27 -2.751 -5.378 2.168 1.00 0.00 C ATOM 425 C GLU A 27 -2.440 -3.882 2.258 1.00 0.00 C ATOM 426 O GLU A 27 -1.568 -3.475 3.000 1.00 0.00 O ATOM 427 CB GLU A 27 -1.478 -6.143 1.777 1.00 0.00 C ATOM 428 CG GLU A 27 -1.614 -6.728 0.367 1.00 0.00 C ATOM 429 CD GLU A 27 -0.463 -7.699 0.100 1.00 0.00 C ATOM 430 OE1 GLU A 27 -0.345 -8.664 0.836 1.00 0.00 O ATOM 431 OE2 GLU A 27 0.281 -7.461 -0.838 1.00 0.00 O ATOM 0 H GLU A 27 -3.751 -5.190 0.276 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.096 -5.718 3.144 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.618 -5.475 1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.294 -6.944 2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.569 -7.244 0.267 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.606 -5.927 -0.372 1.00 0.00 H new ATOM 438 N LEU A 28 -3.150 -3.048 1.552 1.00 0.00 N ATOM 439 CA LEU A 28 -2.892 -1.599 1.659 1.00 0.00 C ATOM 440 C LEU A 28 -3.841 -1.087 2.737 1.00 0.00 C ATOM 441 O LEU A 28 -3.483 -0.306 3.594 1.00 0.00 O ATOM 442 CB LEU A 28 -3.148 -0.958 0.290 1.00 0.00 C ATOM 443 CG LEU A 28 -3.940 0.339 0.434 1.00 0.00 C ATOM 444 CD1 LEU A 28 -3.096 1.367 1.189 1.00 0.00 C ATOM 445 CD2 LEU A 28 -4.295 0.883 -0.952 1.00 0.00 C ATOM 0 H LEU A 28 -3.895 -3.313 0.908 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.866 -1.356 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.198 -0.755 -0.204 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.696 -1.654 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.858 0.144 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.659 2.294 1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.849 0.980 2.177 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.177 1.561 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.860 1.809 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.380 1.079 -1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.898 0.149 -1.487 1.00 0.00 H new ATOM 457 N LYS A 29 -5.041 -1.588 2.714 1.00 0.00 N ATOM 458 CA LYS A 29 -6.043 -1.257 3.708 1.00 0.00 C ATOM 459 C LYS A 29 -5.488 -1.560 5.104 1.00 0.00 C ATOM 460 O LYS A 29 -5.542 -0.743 5.993 1.00 0.00 O ATOM 461 CB LYS A 29 -7.201 -2.166 3.419 1.00 0.00 C ATOM 462 CG LYS A 29 -8.255 -1.863 4.434 1.00 0.00 C ATOM 463 CD LYS A 29 -9.618 -2.244 3.881 1.00 0.00 C ATOM 464 CE LYS A 29 -10.629 -2.365 5.042 1.00 0.00 C ATOM 465 NZ LYS A 29 -12.011 -2.219 4.507 1.00 0.00 N ATOM 0 H LYS A 29 -5.363 -2.244 2.003 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.330 -0.206 3.675 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.578 -2.002 2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.896 -3.211 3.479 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.058 -2.413 5.354 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.237 -0.803 4.687 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.956 -1.493 3.167 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.552 -3.189 3.342 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.518 -3.330 5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.434 -1.598 5.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.695 -2.300 5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.111 -1.288 4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.193 -2.967 3.807 1.00 0.00 H new ATOM 479 N LEU A 30 -4.950 -2.738 5.298 1.00 0.00 N ATOM 480 CA LEU A 30 -4.385 -3.091 6.638 1.00 0.00 C ATOM 481 C LEU A 30 -3.233 -2.132 6.954 1.00 0.00 C ATOM 482 O LEU A 30 -2.866 -1.926 8.093 1.00 0.00 O ATOM 483 CB LEU A 30 -3.862 -4.533 6.618 1.00 0.00 C ATOM 484 CG LEU A 30 -4.760 -5.403 5.733 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.462 -6.880 5.996 1.00 0.00 C ATOM 486 CD2 LEU A 30 -6.230 -5.118 6.052 1.00 0.00 C ATOM 0 H LEU A 30 -4.877 -3.469 4.590 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.161 -3.006 7.399 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.839 -4.552 6.243 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.838 -4.934 7.631 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.564 -5.172 4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.102 -7.498 5.366 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.417 -7.087 5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.655 -7.109 7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.866 -5.738 5.421 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.426 -5.346 7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.446 -4.067 5.863 1.00 0.00 H new ATOM 498 N LEU A 31 -2.681 -1.540 5.937 1.00 0.00 N ATOM 499 CA LEU A 31 -1.563 -0.571 6.115 1.00 0.00 C ATOM 500 C LEU A 31 -2.027 0.559 7.016 1.00 0.00 C ATOM 501 O LEU A 31 -1.361 0.949 7.954 1.00 0.00 O ATOM 502 CB LEU A 31 -1.223 0.018 4.754 1.00 0.00 C ATOM 503 CG LEU A 31 0.207 0.550 4.758 1.00 0.00 C ATOM 504 CD1 LEU A 31 0.641 0.834 3.318 1.00 0.00 C ATOM 505 CD2 LEU A 31 0.265 1.842 5.574 1.00 0.00 C ATOM 0 H LEU A 31 -2.962 -1.689 4.968 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.698 -1.071 6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.335 -0.743 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.918 0.822 4.513 1.00 0.00 H new ATOM 0 HG LEU A 31 0.874 -0.189 5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.662 1.215 3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.594 -0.086 2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.024 1.576 2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.286 2.224 5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.398 2.584 5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.051 1.640 6.597 1.00 0.00 H new ATOM 517 N LEU A 32 -3.175 1.085 6.728 1.00 0.00 N ATOM 518 CA LEU A 32 -3.714 2.189 7.556 1.00 0.00 C ATOM 519 C LEU A 32 -4.340 1.585 8.791 1.00 0.00 C ATOM 520 O LEU A 32 -4.041 1.928 9.906 1.00 0.00 O ATOM 521 CB LEU A 32 -4.788 2.954 6.821 1.00 0.00 C ATOM 522 CG LEU A 32 -4.649 2.739 5.339 1.00 0.00 C ATOM 523 CD1 LEU A 32 -5.547 1.589 4.930 1.00 0.00 C ATOM 524 CD2 LEU A 32 -5.085 4.003 4.647 1.00 0.00 C ATOM 0 H LEU A 32 -3.768 0.797 5.950 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.900 2.871 7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.773 2.625 7.154 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.712 4.017 7.052 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.620 2.503 5.069 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.457 1.421 3.857 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.249 0.687 5.465 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.582 1.831 5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.995 3.877 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.123 4.218 4.902 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.453 4.831 4.969 1.00 0.00 H new ATOM 536 N GLN A 33 -5.227 0.679 8.579 1.00 0.00 N ATOM 537 CA GLN A 33 -5.909 0.036 9.740 1.00 0.00 C ATOM 538 C GLN A 33 -4.885 -0.273 10.835 1.00 0.00 C ATOM 539 O GLN A 33 -5.205 -0.282 12.006 1.00 0.00 O ATOM 540 CB GLN A 33 -6.595 -1.260 9.294 1.00 0.00 C ATOM 541 CG GLN A 33 -7.947 -0.940 8.654 1.00 0.00 C ATOM 542 CD GLN A 33 -8.985 -1.962 9.125 1.00 0.00 C ATOM 543 OE1 GLN A 33 -9.355 -1.979 10.282 1.00 0.00 O ATOM 544 NE2 GLN A 33 -9.472 -2.821 8.271 1.00 0.00 N ATOM 0 H GLN A 33 -5.518 0.347 7.660 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.662 0.720 10.132 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -5.962 -1.790 8.582 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -6.735 -1.921 10.150 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.262 0.067 8.927 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.863 -0.964 7.568 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.161 -2.807 7.300 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.163 -3.507 8.575 1.00 0.00 H new ATOM 553 N THR A 34 -3.655 -0.510 10.473 1.00 0.00 N ATOM 554 CA THR A 34 -2.629 -0.794 11.514 1.00 0.00 C ATOM 555 C THR A 34 -1.936 0.517 11.892 1.00 0.00 C ATOM 556 O THR A 34 -1.555 0.721 13.028 1.00 0.00 O ATOM 557 CB THR A 34 -1.606 -1.808 10.987 1.00 0.00 C ATOM 558 OG1 THR A 34 -0.879 -2.352 12.078 1.00 0.00 O ATOM 559 CG2 THR A 34 -0.638 -1.125 10.022 1.00 0.00 C ATOM 0 H THR A 34 -3.318 -0.519 9.510 1.00 0.00 H new ATOM 0 HA THR A 34 -3.106 -1.222 12.396 1.00 0.00 H new ATOM 0 HB THR A 34 -2.132 -2.604 10.459 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.351 -3.118 11.770 1.00 0.00 H new ATOM 0 HG21 THR A 34 0.084 -1.854 9.654 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.194 -0.709 9.182 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.112 -0.324 10.541 1.00 0.00 H new ATOM 567 N GLU A 35 -1.785 1.417 10.955 1.00 0.00 N ATOM 568 CA GLU A 35 -1.135 2.718 11.275 1.00 0.00 C ATOM 569 C GLU A 35 -2.214 3.807 11.416 1.00 0.00 C ATOM 570 O GLU A 35 -2.315 4.451 12.440 1.00 0.00 O ATOM 571 CB GLU A 35 -0.134 3.090 10.170 1.00 0.00 C ATOM 572 CG GLU A 35 0.794 1.903 9.905 1.00 0.00 C ATOM 573 CD GLU A 35 1.459 1.473 11.213 1.00 0.00 C ATOM 574 OE1 GLU A 35 0.753 0.993 12.084 1.00 0.00 O ATOM 575 OE2 GLU A 35 2.665 1.628 11.320 1.00 0.00 O ATOM 0 H GLU A 35 -2.083 1.306 9.986 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.592 2.633 12.216 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.666 3.361 9.258 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.448 3.961 10.470 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.228 1.073 9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.553 2.178 9.172 1.00 0.00 H new ATOM 582 N PHE A 36 -3.023 4.025 10.404 1.00 0.00 N ATOM 583 CA PHE A 36 -4.080 5.073 10.509 1.00 0.00 C ATOM 584 C PHE A 36 -5.282 4.657 9.649 1.00 0.00 C ATOM 585 O PHE A 36 -5.430 5.145 8.552 1.00 0.00 O ATOM 586 CB PHE A 36 -3.539 6.397 9.952 1.00 0.00 C ATOM 587 CG PHE A 36 -2.036 6.328 9.835 1.00 0.00 C ATOM 588 CD1 PHE A 36 -1.225 6.564 10.949 1.00 0.00 C ATOM 589 CD2 PHE A 36 -1.459 6.003 8.601 1.00 0.00 C ATOM 590 CE1 PHE A 36 0.168 6.478 10.825 1.00 0.00 C ATOM 591 CE2 PHE A 36 -0.071 5.915 8.478 1.00 0.00 C ATOM 592 CZ PHE A 36 0.743 6.153 9.590 1.00 0.00 C ATOM 0 H PHE A 36 -2.994 3.523 9.516 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.372 5.189 11.553 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.980 6.598 8.976 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.824 7.221 10.606 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.670 6.812 11.901 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.089 5.820 7.743 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.799 6.662 11.682 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.373 5.664 7.526 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.817 6.086 9.496 1.00 0.00 H new ATOM 602 N PRO A 37 -6.105 3.770 10.156 1.00 0.00 N ATOM 603 CA PRO A 37 -7.290 3.288 9.419 1.00 0.00 C ATOM 604 C PRO A 37 -8.133 4.450 8.881 1.00 0.00 C ATOM 605 O PRO A 37 -8.908 4.283 7.960 1.00 0.00 O ATOM 606 CB PRO A 37 -8.089 2.484 10.454 1.00 0.00 C ATOM 607 CG PRO A 37 -7.207 2.343 11.720 1.00 0.00 C ATOM 608 CD PRO A 37 -5.939 3.180 11.496 1.00 0.00 C ATOM 0 HA PRO A 37 -7.007 2.695 8.549 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.024 2.990 10.693 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.350 1.503 10.058 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -7.745 2.690 12.602 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.951 1.298 11.894 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.836 3.953 12.258 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.043 2.561 11.547 1.00 0.00 H new ATOM 616 N SER A 38 -8.015 5.615 9.450 1.00 0.00 N ATOM 617 CA SER A 38 -8.838 6.760 8.964 1.00 0.00 C ATOM 618 C SER A 38 -8.211 7.395 7.721 1.00 0.00 C ATOM 619 O SER A 38 -8.607 8.462 7.296 1.00 0.00 O ATOM 620 CB SER A 38 -8.957 7.808 10.071 1.00 0.00 C ATOM 621 OG SER A 38 -7.840 8.686 10.006 1.00 0.00 O ATOM 0 H SER A 38 -7.388 5.826 10.227 1.00 0.00 H new ATOM 0 HA SER A 38 -9.827 6.388 8.698 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.884 8.370 9.958 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.996 7.322 11.046 1.00 0.00 H new ATOM 0 HG SER A 38 -7.913 9.361 10.713 1.00 0.00 H new ATOM 627 N LEU A 39 -7.249 6.752 7.126 1.00 0.00 N ATOM 628 CA LEU A 39 -6.620 7.328 5.908 1.00 0.00 C ATOM 629 C LEU A 39 -7.497 7.012 4.697 1.00 0.00 C ATOM 630 O LEU A 39 -7.264 7.489 3.603 1.00 0.00 O ATOM 631 CB LEU A 39 -5.225 6.729 5.712 1.00 0.00 C ATOM 632 CG LEU A 39 -4.165 7.796 5.999 1.00 0.00 C ATOM 633 CD1 LEU A 39 -4.250 8.902 4.946 1.00 0.00 C ATOM 634 CD2 LEU A 39 -4.409 8.396 7.386 1.00 0.00 C ATOM 0 H LEU A 39 -6.871 5.854 7.429 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.526 8.408 6.019 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.087 5.876 6.377 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -5.117 6.359 4.693 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.176 7.340 5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.495 9.660 5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.077 8.477 3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.239 9.358 4.977 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.655 9.156 7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.399 8.850 7.417 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.347 7.610 8.139 1.00 0.00 H new ATOM 646 N LEU A 40 -8.513 6.218 4.890 1.00 0.00 N ATOM 647 CA LEU A 40 -9.416 5.874 3.762 1.00 0.00 C ATOM 648 C LEU A 40 -10.869 5.973 4.223 1.00 0.00 C ATOM 649 O LEU A 40 -11.187 5.679 5.351 1.00 0.00 O ATOM 650 CB LEU A 40 -9.136 4.461 3.269 1.00 0.00 C ATOM 651 CG LEU A 40 -8.774 3.553 4.443 1.00 0.00 C ATOM 652 CD1 LEU A 40 -9.963 3.439 5.398 1.00 0.00 C ATOM 653 CD2 LEU A 40 -8.435 2.177 3.897 1.00 0.00 C ATOM 0 H LEU A 40 -8.756 5.792 5.784 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.240 6.574 2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.012 4.068 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.320 4.475 2.546 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.924 3.968 4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.698 2.790 6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.223 4.428 5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.817 3.017 4.867 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.173 1.513 4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.297 1.774 3.366 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.591 2.255 3.212 1.00 0.00 H new ATOM 665 N LYS A 41 -11.745 6.384 3.350 1.00 0.00 N ATOM 666 CA LYS A 41 -13.190 6.509 3.704 1.00 0.00 C ATOM 667 C LYS A 41 -13.875 7.387 2.658 1.00 0.00 C ATOM 668 O LYS A 41 -14.654 6.921 1.850 1.00 0.00 O ATOM 669 CB LYS A 41 -13.354 7.153 5.086 1.00 0.00 C ATOM 670 CG LYS A 41 -14.200 6.241 5.983 1.00 0.00 C ATOM 671 CD LYS A 41 -13.439 4.945 6.269 1.00 0.00 C ATOM 672 CE LYS A 41 -14.316 4.006 7.104 1.00 0.00 C ATOM 673 NZ LYS A 41 -15.542 3.654 6.334 1.00 0.00 N ATOM 0 H LYS A 41 -11.519 6.643 2.390 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.640 5.516 3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.377 7.320 5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.831 8.128 4.989 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.433 6.750 6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.149 6.016 5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.160 4.461 5.333 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.514 5.165 6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.761 3.103 7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.589 4.486 8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.950 2.776 6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.237 4.423 6.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.296 3.516 5.333 1.00 0.00 H new ATOM 687 N GLY A 42 -13.582 8.655 2.665 1.00 0.00 N ATOM 688 CA GLY A 42 -14.202 9.573 1.670 1.00 0.00 C ATOM 689 C GLY A 42 -13.197 10.663 1.295 1.00 0.00 C ATOM 690 O GLY A 42 -12.309 10.980 2.059 1.00 0.00 O ATOM 0 H GLY A 42 -12.937 9.098 3.319 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -14.501 9.017 0.782 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -15.105 10.021 2.085 1.00 0.00 H new ATOM 694 N MET A 43 -13.337 11.225 0.120 1.00 0.00 N ATOM 695 CA MET A 43 -12.404 12.301 -0.348 1.00 0.00 C ATOM 696 C MET A 43 -11.078 11.733 -0.839 1.00 0.00 C ATOM 697 O MET A 43 -10.687 11.969 -1.964 1.00 0.00 O ATOM 698 CB MET A 43 -12.136 13.330 0.752 1.00 0.00 C ATOM 699 CG MET A 43 -12.900 14.596 0.423 1.00 0.00 C ATOM 700 SD MET A 43 -14.338 14.745 1.513 1.00 0.00 S ATOM 701 CE MET A 43 -14.329 16.549 1.662 1.00 0.00 C ATOM 0 H MET A 43 -14.070 10.981 -0.546 1.00 0.00 H new ATOM 0 HA MET A 43 -12.902 12.793 -1.183 1.00 0.00 H new ATOM 0 HB2 MET A 43 -12.449 12.940 1.720 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.069 13.539 0.823 1.00 0.00 H new ATOM 0 HG2 MET A 43 -12.251 15.464 0.541 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.222 14.577 -0.618 1.00 0.00 H new ATOM 0 HE1 MET A 43 -15.151 16.865 2.305 1.00 0.00 H new ATOM 0 HE2 MET A 43 -13.383 16.874 2.096 1.00 0.00 H new ATOM 0 HE3 MET A 43 -14.448 16.996 0.675 1.00 0.00 H new ATOM 711 N SER A 44 -10.362 11.015 -0.028 1.00 0.00 N ATOM 712 CA SER A 44 -9.067 10.501 -0.510 1.00 0.00 C ATOM 713 C SER A 44 -9.286 9.188 -1.263 1.00 0.00 C ATOM 714 O SER A 44 -8.655 8.919 -2.266 1.00 0.00 O ATOM 715 CB SER A 44 -8.128 10.271 0.672 1.00 0.00 C ATOM 716 OG SER A 44 -8.892 9.911 1.816 1.00 0.00 O ATOM 0 H SER A 44 -10.614 10.768 0.929 1.00 0.00 H new ATOM 0 HA SER A 44 -8.617 11.231 -1.183 1.00 0.00 H new ATOM 0 HB2 SER A 44 -7.413 9.483 0.435 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.552 11.174 0.875 1.00 0.00 H new ATOM 0 HG SER A 44 -8.292 9.761 2.576 1.00 0.00 H new ATOM 722 N THR A 45 -10.181 8.369 -0.782 1.00 0.00 N ATOM 723 CA THR A 45 -10.456 7.070 -1.459 1.00 0.00 C ATOM 724 C THR A 45 -9.148 6.307 -1.677 1.00 0.00 C ATOM 725 O THR A 45 -8.378 6.615 -2.563 1.00 0.00 O ATOM 726 CB THR A 45 -11.118 7.328 -2.816 1.00 0.00 C ATOM 727 OG1 THR A 45 -10.788 8.634 -3.264 1.00 0.00 O ATOM 728 CG2 THR A 45 -12.637 7.198 -2.682 1.00 0.00 C ATOM 0 H THR A 45 -10.736 8.545 0.055 1.00 0.00 H new ATOM 0 HA THR A 45 -11.121 6.477 -0.830 1.00 0.00 H new ATOM 0 HB THR A 45 -10.758 6.596 -3.539 1.00 0.00 H new ATOM 0 HG1 THR A 45 -9.831 8.676 -3.473 1.00 0.00 H new ATOM 0 HG21 THR A 45 -13.105 7.382 -3.649 1.00 0.00 H new ATOM 0 HG22 THR A 45 -12.888 6.193 -2.343 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.002 7.926 -1.958 1.00 0.00 H new ATOM 736 N LEU A 46 -8.901 5.300 -0.886 1.00 0.00 N ATOM 737 CA LEU A 46 -7.654 4.505 -1.064 1.00 0.00 C ATOM 738 C LEU A 46 -7.827 3.580 -2.273 1.00 0.00 C ATOM 739 O LEU A 46 -6.921 2.875 -2.669 1.00 0.00 O ATOM 740 CB LEU A 46 -7.400 3.668 0.191 1.00 0.00 C ATOM 741 CG LEU A 46 -6.340 4.353 1.055 1.00 0.00 C ATOM 742 CD1 LEU A 46 -4.975 4.245 0.372 1.00 0.00 C ATOM 743 CD2 LEU A 46 -6.705 5.827 1.234 1.00 0.00 C ATOM 0 H LEU A 46 -9.508 4.994 -0.125 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.807 5.172 -1.227 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.325 3.551 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.067 2.668 -0.087 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.297 3.867 2.030 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.220 4.733 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.714 3.194 0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.017 4.730 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.950 6.317 1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.748 6.312 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.677 5.905 1.721 1.00 0.00 H new ATOM 755 N ASP A 47 -8.990 3.594 -2.865 1.00 0.00 N ATOM 756 CA ASP A 47 -9.253 2.742 -4.053 1.00 0.00 C ATOM 757 C ASP A 47 -8.562 3.345 -5.266 1.00 0.00 C ATOM 758 O ASP A 47 -7.863 2.674 -5.997 1.00 0.00 O ATOM 759 CB ASP A 47 -10.742 2.696 -4.314 1.00 0.00 C ATOM 760 CG ASP A 47 -11.318 1.372 -3.811 1.00 0.00 C ATOM 761 OD1 ASP A 47 -11.156 0.378 -4.500 1.00 0.00 O ATOM 762 OD2 ASP A 47 -11.912 1.374 -2.745 1.00 0.00 O ATOM 0 H ASP A 47 -9.779 4.169 -2.569 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.875 1.736 -3.871 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.234 3.530 -3.813 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.937 2.805 -5.381 1.00 0.00 H new ATOM 767 N GLU A 48 -8.735 4.621 -5.472 1.00 0.00 N ATOM 768 CA GLU A 48 -8.061 5.278 -6.614 1.00 0.00 C ATOM 769 C GLU A 48 -6.578 5.360 -6.279 1.00 0.00 C ATOM 770 O GLU A 48 -5.747 5.669 -7.110 1.00 0.00 O ATOM 771 CB GLU A 48 -8.621 6.682 -6.811 1.00 0.00 C ATOM 772 CG GLU A 48 -8.869 6.905 -8.297 1.00 0.00 C ATOM 773 CD GLU A 48 -9.334 8.343 -8.529 1.00 0.00 C ATOM 774 OE1 GLU A 48 -9.453 9.071 -7.557 1.00 0.00 O ATOM 775 OE2 GLU A 48 -9.563 8.693 -9.676 1.00 0.00 O ATOM 0 H GLU A 48 -9.314 5.232 -4.897 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.222 4.713 -7.532 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.549 6.801 -6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.921 7.425 -6.429 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.957 6.712 -8.861 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.622 6.206 -8.659 1.00 0.00 H new ATOM 782 N LEU A 49 -6.249 5.044 -5.059 1.00 0.00 N ATOM 783 CA LEU A 49 -4.831 5.051 -4.633 1.00 0.00 C ATOM 784 C LEU A 49 -4.195 3.797 -5.215 1.00 0.00 C ATOM 785 O LEU A 49 -3.006 3.719 -5.448 1.00 0.00 O ATOM 786 CB LEU A 49 -4.790 4.997 -3.106 1.00 0.00 C ATOM 787 CG LEU A 49 -3.503 5.647 -2.577 1.00 0.00 C ATOM 788 CD1 LEU A 49 -2.279 4.873 -3.074 1.00 0.00 C ATOM 789 CD2 LEU A 49 -3.413 7.095 -3.065 1.00 0.00 C ATOM 0 H LEU A 49 -6.914 4.778 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.302 5.942 -4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.659 5.511 -2.695 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.845 3.961 -2.772 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.525 5.628 -1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.372 5.343 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.331 3.844 -2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.261 4.881 -4.164 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.498 7.550 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.403 7.112 -4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.274 7.656 -2.702 1.00 0.00 H new ATOM 801 N PHE A 50 -5.020 2.818 -5.459 1.00 0.00 N ATOM 802 CA PHE A 50 -4.547 1.538 -6.039 1.00 0.00 C ATOM 803 C PHE A 50 -4.415 1.690 -7.554 1.00 0.00 C ATOM 804 O PHE A 50 -3.453 1.252 -8.148 1.00 0.00 O ATOM 805 CB PHE A 50 -5.571 0.451 -5.721 1.00 0.00 C ATOM 806 CG PHE A 50 -5.032 -0.894 -6.145 1.00 0.00 C ATOM 807 CD1 PHE A 50 -3.752 -1.295 -5.744 1.00 0.00 C ATOM 808 CD2 PHE A 50 -5.812 -1.740 -6.942 1.00 0.00 C ATOM 809 CE1 PHE A 50 -3.252 -2.541 -6.141 1.00 0.00 C ATOM 810 CE2 PHE A 50 -5.313 -2.986 -7.338 1.00 0.00 C ATOM 811 CZ PHE A 50 -4.033 -3.386 -6.938 1.00 0.00 C ATOM 0 H PHE A 50 -6.023 2.856 -5.276 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.578 1.269 -5.619 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.791 0.446 -4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.508 0.658 -6.238 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.150 -0.643 -5.128 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -6.799 -1.431 -7.251 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.264 -2.850 -5.832 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.916 -3.639 -7.952 1.00 0.00 H new ATOM 0 HZ PHE A 50 -3.648 -4.347 -7.244 1.00 0.00 H new ATOM 821 N GLU A 51 -5.383 2.302 -8.182 1.00 0.00 N ATOM 822 CA GLU A 51 -5.326 2.482 -9.661 1.00 0.00 C ATOM 823 C GLU A 51 -4.125 3.367 -10.017 1.00 0.00 C ATOM 824 O GLU A 51 -3.571 3.272 -11.094 1.00 0.00 O ATOM 825 CB GLU A 51 -6.651 3.117 -10.139 1.00 0.00 C ATOM 826 CG GLU A 51 -6.402 4.268 -11.125 1.00 0.00 C ATOM 827 CD GLU A 51 -5.837 3.708 -12.431 1.00 0.00 C ATOM 828 OE1 GLU A 51 -5.477 2.543 -12.445 1.00 0.00 O ATOM 829 OE2 GLU A 51 -5.774 4.455 -13.394 1.00 0.00 O ATOM 0 H GLU A 51 -6.214 2.686 -7.732 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.201 1.521 -10.160 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.269 2.356 -10.616 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.209 3.488 -9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.332 4.803 -11.318 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -5.705 4.986 -10.693 1.00 0.00 H new ATOM 836 N GLU A 52 -3.723 4.227 -9.122 1.00 0.00 N ATOM 837 CA GLU A 52 -2.560 5.115 -9.410 1.00 0.00 C ATOM 838 C GLU A 52 -1.250 4.353 -9.179 1.00 0.00 C ATOM 839 O GLU A 52 -0.189 4.940 -9.112 1.00 0.00 O ATOM 840 CB GLU A 52 -2.611 6.332 -8.484 1.00 0.00 C ATOM 841 CG GLU A 52 -2.020 7.547 -9.204 1.00 0.00 C ATOM 842 CD GLU A 52 -0.860 8.112 -8.381 1.00 0.00 C ATOM 843 OE1 GLU A 52 0.114 7.401 -8.200 1.00 0.00 O ATOM 844 OE2 GLU A 52 -0.966 9.248 -7.946 1.00 0.00 O ATOM 0 H GLU A 52 -4.149 4.354 -8.204 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.605 5.440 -10.449 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.641 6.536 -8.190 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.052 6.130 -7.570 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.671 7.261 -10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -2.787 8.309 -9.343 1.00 0.00 H new ATOM 851 N LEU A 53 -1.311 3.055 -9.048 1.00 0.00 N ATOM 852 CA LEU A 53 -0.065 2.273 -8.812 1.00 0.00 C ATOM 853 C LEU A 53 -0.060 1.013 -9.687 1.00 0.00 C ATOM 854 O LEU A 53 0.976 0.561 -10.134 1.00 0.00 O ATOM 855 CB LEU A 53 0.000 1.872 -7.338 1.00 0.00 C ATOM 856 CG LEU A 53 -0.364 3.079 -6.472 1.00 0.00 C ATOM 857 CD1 LEU A 53 -0.338 2.678 -4.997 1.00 0.00 C ATOM 858 CD2 LEU A 53 0.652 4.198 -6.713 1.00 0.00 C ATOM 0 H LEU A 53 -2.168 2.504 -9.094 1.00 0.00 H new ATOM 0 HA LEU A 53 0.800 2.884 -9.069 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.687 1.048 -7.142 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.001 1.519 -7.089 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.363 3.427 -6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.598 3.539 -4.381 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.058 1.878 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.660 2.330 -4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.396 5.060 -6.098 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.650 3.847 -6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.635 4.485 -7.764 1.00 0.00 H new ATOM 870 N ASP A 54 -1.207 0.442 -9.932 1.00 0.00 N ATOM 871 CA ASP A 54 -1.266 -0.786 -10.772 1.00 0.00 C ATOM 872 C ASP A 54 -0.504 -0.552 -12.076 1.00 0.00 C ATOM 873 O ASP A 54 -0.279 0.571 -12.481 1.00 0.00 O ATOM 874 CB ASP A 54 -2.727 -1.115 -11.090 1.00 0.00 C ATOM 875 CG ASP A 54 -2.859 -2.606 -11.404 1.00 0.00 C ATOM 876 OD1 ASP A 54 -2.266 -3.395 -10.687 1.00 0.00 O ATOM 877 OD2 ASP A 54 -3.548 -2.933 -12.356 1.00 0.00 O ATOM 0 H ASP A 54 -2.107 0.774 -9.586 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.813 -1.617 -10.231 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.362 -0.853 -10.244 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.068 -0.522 -11.939 1.00 0.00 H new ATOM 882 N LYS A 55 -0.112 -1.604 -12.740 1.00 0.00 N ATOM 883 CA LYS A 55 0.629 -1.440 -14.020 1.00 0.00 C ATOM 884 C LYS A 55 -0.170 -2.088 -15.152 1.00 0.00 C ATOM 885 O LYS A 55 -0.108 -1.664 -16.289 1.00 0.00 O ATOM 886 CB LYS A 55 2.001 -2.112 -13.913 1.00 0.00 C ATOM 887 CG LYS A 55 2.803 -1.460 -12.786 1.00 0.00 C ATOM 888 CD LYS A 55 4.186 -1.053 -13.307 1.00 0.00 C ATOM 889 CE LYS A 55 4.836 -2.245 -14.054 1.00 0.00 C ATOM 890 NZ LYS A 55 6.277 -1.948 -14.298 1.00 0.00 N ATOM 0 H LYS A 55 -0.273 -2.569 -12.451 1.00 0.00 H new ATOM 0 HA LYS A 55 0.765 -0.379 -14.227 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.881 -3.178 -13.719 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.538 -2.018 -14.857 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.274 -0.585 -12.409 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.907 -2.154 -11.952 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.095 -0.198 -13.977 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.821 -0.742 -12.477 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.736 -3.156 -13.465 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.324 -2.419 -15.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 6.716 -2.746 -14.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.361 -1.088 -14.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.760 -1.802 -13.389 1.00 0.00 H new ATOM 904 N ASN A 56 -0.920 -3.114 -14.852 1.00 0.00 N ATOM 905 CA ASN A 56 -1.718 -3.785 -15.913 1.00 0.00 C ATOM 906 C ASN A 56 -3.063 -4.209 -15.318 1.00 0.00 C ATOM 907 O ASN A 56 -4.115 -3.850 -15.808 1.00 0.00 O ATOM 908 CB ASN A 56 -0.935 -5.008 -16.427 1.00 0.00 C ATOM 909 CG ASN A 56 -1.885 -6.151 -16.802 1.00 0.00 C ATOM 910 OD1 ASN A 56 -2.325 -6.250 -17.930 1.00 0.00 O ATOM 911 ND2 ASN A 56 -2.219 -7.020 -15.889 1.00 0.00 N ATOM 0 H ASN A 56 -1.013 -3.515 -13.919 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.899 -3.110 -16.750 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.341 -4.725 -17.296 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.238 -5.346 -15.660 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.852 -7.786 -16.121 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.848 -6.934 -14.943 1.00 0.00 H new ATOM 918 N GLY A 57 -3.030 -4.974 -14.266 1.00 0.00 N ATOM 919 CA GLY A 57 -4.297 -5.429 -13.632 1.00 0.00 C ATOM 920 C GLY A 57 -4.120 -6.859 -13.128 1.00 0.00 C ATOM 921 O GLY A 57 -4.810 -7.766 -13.547 1.00 0.00 O ATOM 0 H GLY A 57 -2.177 -5.306 -13.815 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.562 -4.769 -12.806 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.115 -5.383 -14.351 1.00 0.00 H new ATOM 925 N ASP A 58 -3.204 -7.065 -12.224 1.00 0.00 N ATOM 926 CA ASP A 58 -2.988 -8.434 -11.689 1.00 0.00 C ATOM 927 C ASP A 58 -3.380 -8.458 -10.214 1.00 0.00 C ATOM 928 O ASP A 58 -3.479 -9.504 -9.605 1.00 0.00 O ATOM 929 CB ASP A 58 -1.522 -8.818 -11.839 1.00 0.00 C ATOM 930 CG ASP A 58 -1.011 -8.354 -13.204 1.00 0.00 C ATOM 931 OD1 ASP A 58 -1.311 -9.016 -14.184 1.00 0.00 O ATOM 932 OD2 ASP A 58 -0.331 -7.342 -13.248 1.00 0.00 O ATOM 0 H ASP A 58 -2.597 -6.344 -11.834 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.599 -9.147 -12.243 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.932 -8.362 -11.044 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.406 -9.898 -11.743 1.00 0.00 H new ATOM 937 N GLY A 59 -3.618 -7.311 -9.638 1.00 0.00 N ATOM 938 CA GLY A 59 -4.019 -7.274 -8.208 1.00 0.00 C ATOM 939 C GLY A 59 -2.787 -7.090 -7.319 1.00 0.00 C ATOM 940 O GLY A 59 -2.860 -7.204 -6.111 1.00 0.00 O ATOM 0 H GLY A 59 -3.552 -6.402 -10.096 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.722 -6.458 -8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.533 -8.198 -7.943 1.00 0.00 H new ATOM 944 N GLU A 60 -1.658 -6.802 -7.903 1.00 0.00 N ATOM 945 CA GLU A 60 -0.423 -6.603 -7.094 1.00 0.00 C ATOM 946 C GLU A 60 0.307 -5.366 -7.603 1.00 0.00 C ATOM 947 O GLU A 60 0.199 -4.996 -8.755 1.00 0.00 O ATOM 948 CB GLU A 60 0.490 -7.821 -7.234 1.00 0.00 C ATOM 949 CG GLU A 60 1.879 -7.495 -6.679 1.00 0.00 C ATOM 950 CD GLU A 60 2.824 -8.669 -6.948 1.00 0.00 C ATOM 951 OE1 GLU A 60 2.334 -9.778 -7.088 1.00 0.00 O ATOM 952 OE2 GLU A 60 4.021 -8.441 -7.007 1.00 0.00 O ATOM 0 H GLU A 60 -1.537 -6.695 -8.910 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.691 -6.475 -6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.064 -8.669 -6.698 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.566 -8.111 -8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.265 -6.589 -7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.818 -7.301 -5.608 1.00 0.00 H new ATOM 959 N VAL A 61 1.051 -4.729 -6.754 1.00 0.00 N ATOM 960 CA VAL A 61 1.793 -3.519 -7.176 1.00 0.00 C ATOM 961 C VAL A 61 3.264 -3.695 -6.790 1.00 0.00 C ATOM 962 O VAL A 61 3.766 -4.799 -6.747 1.00 0.00 O ATOM 963 CB VAL A 61 1.173 -2.294 -6.489 1.00 0.00 C ATOM 964 CG1 VAL A 61 1.761 -2.109 -5.086 1.00 0.00 C ATOM 965 CG2 VAL A 61 1.442 -1.047 -7.330 1.00 0.00 C ATOM 0 H VAL A 61 1.178 -4.996 -5.778 1.00 0.00 H new ATOM 0 HA VAL A 61 1.732 -3.372 -8.254 1.00 0.00 H new ATOM 0 HB VAL A 61 0.098 -2.449 -6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.310 -1.236 -4.615 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.553 -2.994 -4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.839 -1.965 -5.159 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.002 -0.177 -6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.517 -0.901 -7.431 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.999 -1.172 -8.318 1.00 0.00 H new ATOM 975 N SER A 62 3.962 -2.634 -6.511 1.00 0.00 N ATOM 976 CA SER A 62 5.394 -2.781 -6.136 1.00 0.00 C ATOM 977 C SER A 62 5.814 -1.591 -5.266 1.00 0.00 C ATOM 978 O SER A 62 5.104 -0.611 -5.162 1.00 0.00 O ATOM 979 CB SER A 62 6.239 -2.824 -7.415 1.00 0.00 C ATOM 980 OG SER A 62 5.686 -1.921 -8.370 1.00 0.00 O ATOM 0 H SER A 62 3.608 -1.678 -6.526 1.00 0.00 H new ATOM 0 HA SER A 62 5.544 -3.702 -5.572 1.00 0.00 H new ATOM 0 HB2 SER A 62 7.271 -2.551 -7.193 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.257 -3.836 -7.820 1.00 0.00 H new ATOM 0 HG SER A 62 6.223 -1.942 -9.190 1.00 0.00 H new ATOM 986 N PHE A 63 6.967 -1.653 -4.655 1.00 0.00 N ATOM 987 CA PHE A 63 7.422 -0.506 -3.813 1.00 0.00 C ATOM 988 C PHE A 63 7.532 0.703 -4.741 1.00 0.00 C ATOM 989 O PHE A 63 7.233 1.815 -4.367 1.00 0.00 O ATOM 990 CB PHE A 63 8.800 -0.825 -3.203 1.00 0.00 C ATOM 991 CG PHE A 63 9.027 -0.113 -1.864 1.00 0.00 C ATOM 992 CD1 PHE A 63 8.096 -0.220 -0.820 1.00 0.00 C ATOM 993 CD2 PHE A 63 10.198 0.634 -1.659 1.00 0.00 C ATOM 994 CE1 PHE A 63 8.325 0.413 0.410 1.00 0.00 C ATOM 995 CE2 PHE A 63 10.425 1.271 -0.424 1.00 0.00 C ATOM 996 CZ PHE A 63 9.487 1.160 0.611 1.00 0.00 C ATOM 0 H PHE A 63 7.611 -2.443 -4.701 1.00 0.00 H new ATOM 0 HA PHE A 63 6.725 -0.313 -2.997 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.890 -1.902 -3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 63 9.581 -0.532 -3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.194 -0.796 -0.965 1.00 0.00 H new ATOM 0 HD2 PHE A 63 10.927 0.720 -2.451 1.00 0.00 H new ATOM 0 HE1 PHE A 63 7.600 0.322 1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 63 11.326 1.848 -0.274 1.00 0.00 H new ATOM 0 HZ PHE A 63 9.662 1.649 1.558 1.00 0.00 H new ATOM 1006 N GLU A 64 7.948 0.466 -5.964 1.00 0.00 N ATOM 1007 CA GLU A 64 8.085 1.568 -6.965 1.00 0.00 C ATOM 1008 C GLU A 64 6.823 2.434 -6.973 1.00 0.00 C ATOM 1009 O GLU A 64 6.889 3.640 -7.095 1.00 0.00 O ATOM 1010 CB GLU A 64 8.286 0.964 -8.356 1.00 0.00 C ATOM 1011 CG GLU A 64 8.182 2.066 -9.414 1.00 0.00 C ATOM 1012 CD GLU A 64 8.814 1.580 -10.718 1.00 0.00 C ATOM 1013 OE1 GLU A 64 9.681 0.723 -10.648 1.00 0.00 O ATOM 1014 OE2 GLU A 64 8.420 2.070 -11.763 1.00 0.00 O ATOM 0 H GLU A 64 8.201 -0.458 -6.313 1.00 0.00 H new ATOM 0 HA GLU A 64 8.942 2.186 -6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.260 0.479 -8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.536 0.195 -8.542 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.137 2.329 -9.579 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.686 2.968 -9.067 1.00 0.00 H new ATOM 1021 N GLU A 65 5.675 1.830 -6.838 1.00 0.00 N ATOM 1022 CA GLU A 65 4.414 2.623 -6.829 1.00 0.00 C ATOM 1023 C GLU A 65 4.081 2.963 -5.382 1.00 0.00 C ATOM 1024 O GLU A 65 3.376 3.908 -5.091 1.00 0.00 O ATOM 1025 CB GLU A 65 3.282 1.804 -7.444 1.00 0.00 C ATOM 1026 CG GLU A 65 3.826 0.942 -8.586 1.00 0.00 C ATOM 1027 CD GLU A 65 4.168 1.835 -9.780 1.00 0.00 C ATOM 1028 OE1 GLU A 65 4.855 2.824 -9.577 1.00 0.00 O ATOM 1029 OE2 GLU A 65 3.739 1.516 -10.876 1.00 0.00 O ATOM 0 H GLU A 65 5.556 0.822 -6.734 1.00 0.00 H new ATOM 0 HA GLU A 65 4.537 3.535 -7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.825 1.170 -6.684 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.502 2.468 -7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.713 0.401 -8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.087 0.195 -8.876 1.00 0.00 H new ATOM 1036 N PHE A 66 4.621 2.200 -4.475 1.00 0.00 N ATOM 1037 CA PHE A 66 4.394 2.455 -3.030 1.00 0.00 C ATOM 1038 C PHE A 66 5.286 3.624 -2.592 1.00 0.00 C ATOM 1039 O PHE A 66 5.355 3.958 -1.428 1.00 0.00 O ATOM 1040 CB PHE A 66 4.783 1.194 -2.251 1.00 0.00 C ATOM 1041 CG PHE A 66 4.278 1.276 -0.828 1.00 0.00 C ATOM 1042 CD1 PHE A 66 2.902 1.275 -0.580 1.00 0.00 C ATOM 1043 CD2 PHE A 66 5.182 1.370 0.242 1.00 0.00 C ATOM 1044 CE1 PHE A 66 2.422 1.374 0.731 1.00 0.00 C ATOM 1045 CE2 PHE A 66 4.700 1.460 1.554 1.00 0.00 C ATOM 1046 CZ PHE A 66 3.321 1.466 1.795 1.00 0.00 C ATOM 0 H PHE A 66 5.219 1.399 -4.679 1.00 0.00 H new ATOM 0 HA PHE A 66 3.349 2.701 -2.840 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.367 0.314 -2.741 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.867 1.078 -2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.207 1.198 -1.403 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.246 1.373 0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.359 1.379 0.919 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.393 1.525 2.380 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.952 1.542 2.807 1.00 0.00 H new ATOM 1056 N GLN A 67 5.967 4.250 -3.524 1.00 0.00 N ATOM 1057 CA GLN A 67 6.854 5.398 -3.163 1.00 0.00 C ATOM 1058 C GLN A 67 6.009 6.638 -2.991 1.00 0.00 C ATOM 1059 O GLN A 67 6.081 7.320 -1.996 1.00 0.00 O ATOM 1060 CB GLN A 67 7.898 5.668 -4.256 1.00 0.00 C ATOM 1061 CG GLN A 67 8.763 4.430 -4.492 1.00 0.00 C ATOM 1062 CD GLN A 67 9.759 4.234 -3.328 1.00 0.00 C ATOM 1063 OE1 GLN A 67 10.629 5.061 -3.134 1.00 0.00 O ATOM 1064 NE2 GLN A 67 9.687 3.181 -2.534 1.00 0.00 N ATOM 0 H GLN A 67 5.946 4.015 -4.516 1.00 0.00 H new ATOM 0 HA GLN A 67 7.374 5.146 -2.239 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.398 5.951 -5.182 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.528 6.508 -3.965 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.128 3.549 -4.587 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.308 4.534 -5.430 1.00 0.00 H new ATOM 0 HE21 GLN A 67 8.963 2.478 -2.683 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.355 3.071 -1.771 1.00 0.00 H new ATOM 1073 N VAL A 68 5.215 6.931 -3.963 1.00 0.00 N ATOM 1074 CA VAL A 68 4.348 8.139 -3.869 1.00 0.00 C ATOM 1075 C VAL A 68 3.733 8.208 -2.468 1.00 0.00 C ATOM 1076 O VAL A 68 3.539 9.268 -1.909 1.00 0.00 O ATOM 1077 CB VAL A 68 3.237 8.054 -4.912 1.00 0.00 C ATOM 1078 CG1 VAL A 68 2.716 9.459 -5.196 1.00 0.00 C ATOM 1079 CG2 VAL A 68 3.791 7.442 -6.202 1.00 0.00 C ATOM 0 H VAL A 68 5.121 6.392 -4.824 1.00 0.00 H new ATOM 0 HA VAL A 68 4.944 9.033 -4.052 1.00 0.00 H new ATOM 0 HB VAL A 68 2.426 7.428 -4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.921 9.409 -5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.325 9.895 -4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.529 10.079 -5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.997 7.382 -6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 68 4.599 8.066 -6.583 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.172 6.442 -5.996 1.00 0.00 H new ATOM 1089 N LEU A 69 3.447 7.073 -1.896 1.00 0.00 N ATOM 1090 CA LEU A 69 2.861 7.030 -0.523 1.00 0.00 C ATOM 1091 C LEU A 69 3.989 6.981 0.485 1.00 0.00 C ATOM 1092 O LEU A 69 3.867 7.461 1.584 1.00 0.00 O ATOM 1093 CB LEU A 69 2.094 5.728 -0.353 1.00 0.00 C ATOM 1094 CG LEU A 69 0.792 5.929 0.434 1.00 0.00 C ATOM 1095 CD1 LEU A 69 0.523 4.661 1.233 1.00 0.00 C ATOM 1096 CD2 LEU A 69 0.906 7.110 1.410 1.00 0.00 C ATOM 0 H LEU A 69 3.595 6.160 -2.325 1.00 0.00 H new ATOM 0 HA LEU A 69 2.220 7.900 -0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.865 5.311 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.722 5.002 0.163 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.016 6.140 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.399 4.778 1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.424 3.816 0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.352 4.480 1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.033 7.226 1.952 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.713 6.920 2.118 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.119 8.023 0.853 1.00 0.00 H new ATOM 1108 N VAL A 70 5.069 6.353 0.129 1.00 0.00 N ATOM 1109 CA VAL A 70 6.200 6.236 1.076 1.00 0.00 C ATOM 1110 C VAL A 70 6.721 7.651 1.382 1.00 0.00 C ATOM 1111 O VAL A 70 7.349 7.893 2.391 1.00 0.00 O ATOM 1112 CB VAL A 70 7.320 5.407 0.436 1.00 0.00 C ATOM 1113 CG1 VAL A 70 8.658 5.691 1.124 1.00 0.00 C ATOM 1114 CG2 VAL A 70 7.001 3.911 0.545 1.00 0.00 C ATOM 0 H VAL A 70 5.216 5.915 -0.780 1.00 0.00 H new ATOM 0 HA VAL A 70 5.874 5.746 1.994 1.00 0.00 H new ATOM 0 HB VAL A 70 7.392 5.687 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.441 5.094 0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.901 6.749 1.025 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.586 5.432 2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.804 3.333 0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.909 3.634 1.595 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.063 3.700 0.030 1.00 0.00 H new ATOM 1124 N LYS A 71 6.448 8.588 0.510 1.00 0.00 N ATOM 1125 CA LYS A 71 6.896 9.991 0.733 1.00 0.00 C ATOM 1126 C LYS A 71 5.813 10.707 1.532 1.00 0.00 C ATOM 1127 O LYS A 71 5.898 11.883 1.824 1.00 0.00 O ATOM 1128 CB LYS A 71 7.083 10.684 -0.606 1.00 0.00 C ATOM 1129 CG LYS A 71 8.547 11.092 -0.781 1.00 0.00 C ATOM 1130 CD LYS A 71 8.708 11.872 -2.091 1.00 0.00 C ATOM 1131 CE LYS A 71 8.046 13.245 -1.955 1.00 0.00 C ATOM 1132 NZ LYS A 71 8.183 13.994 -3.237 1.00 0.00 N ATOM 0 H LYS A 71 5.929 8.437 -0.355 1.00 0.00 H new ATOM 0 HA LYS A 71 7.843 10.008 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.783 10.018 -1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.442 11.564 -0.663 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.868 11.705 0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.183 10.207 -0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.765 11.989 -2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.255 11.319 -2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.993 13.129 -1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.510 13.805 -1.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.733 14.927 -3.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.191 14.117 -3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.721 13.461 -4.001 1.00 0.00 H new ATOM 1146 N LYS A 72 4.798 9.977 1.891 1.00 0.00 N ATOM 1147 CA LYS A 72 3.684 10.532 2.677 1.00 0.00 C ATOM 1148 C LYS A 72 3.701 9.849 4.040 1.00 0.00 C ATOM 1149 O LYS A 72 2.735 9.881 4.776 1.00 0.00 O ATOM 1150 CB LYS A 72 2.365 10.217 1.969 1.00 0.00 C ATOM 1151 CG LYS A 72 1.926 11.428 1.145 1.00 0.00 C ATOM 1152 CD LYS A 72 2.952 11.702 0.043 1.00 0.00 C ATOM 1153 CE LYS A 72 2.225 11.965 -1.278 1.00 0.00 C ATOM 1154 NZ LYS A 72 2.195 13.430 -1.548 1.00 0.00 N ATOM 0 H LYS A 72 4.699 8.988 1.661 1.00 0.00 H new ATOM 0 HA LYS A 72 3.783 11.612 2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.486 9.348 1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.598 9.965 2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.946 11.244 0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.828 12.302 1.789 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.567 12.562 0.309 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.624 10.850 -0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.730 11.445 -2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.209 11.573 -1.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.701 13.608 -2.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.695 13.915 -0.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.168 13.791 -1.611 1.00 0.00 H new ATOM 1168 N ILE A 73 4.793 9.198 4.369 1.00 0.00 N ATOM 1169 CA ILE A 73 4.870 8.472 5.668 1.00 0.00 C ATOM 1170 C ILE A 73 6.275 8.195 6.040 1.00 0.00 C ATOM 1171 O ILE A 73 6.674 8.378 7.168 1.00 0.00 O ATOM 1172 CB ILE A 73 4.319 7.078 5.563 1.00 0.00 C ATOM 1173 CG1 ILE A 73 3.369 6.976 4.418 1.00 0.00 C ATOM 1174 CG2 ILE A 73 3.696 6.708 6.872 1.00 0.00 C ATOM 1175 CD1 ILE A 73 2.525 5.714 4.546 1.00 0.00 C ATOM 0 H ILE A 73 5.631 9.141 3.791 1.00 0.00 H new ATOM 0 HA ILE A 73 4.331 9.109 6.369 1.00 0.00 H new ATOM 0 HB ILE A 73 5.118 6.366 5.357 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.723 7.853 4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.921 6.959 3.478 1.00 0.00 H new ATOM 0 HG21 ILE A 73 3.292 5.698 6.810 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.450 6.749 7.658 1.00 0.00 H new ATOM 0 HG23 ILE A 73 2.892 7.407 7.103 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.835 5.651 3.704 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.176 4.840 4.548 1.00 0.00 H new ATOM 0 HD13 ILE A 73 1.959 5.748 5.477 1.00 0.00 H new ATOM 1187 N SER A 74 7.005 7.641 5.117 1.00 0.00 N ATOM 1188 CA SER A 74 8.357 7.250 5.461 1.00 0.00 C ATOM 1189 C SER A 74 9.351 8.329 4.990 1.00 0.00 C ATOM 1190 O SER A 74 9.623 9.290 5.667 1.00 0.00 O ATOM 1191 CB SER A 74 8.716 5.921 4.802 1.00 0.00 C ATOM 1192 OG SER A 74 10.113 5.885 4.537 1.00 0.00 O ATOM 0 H SER A 74 6.713 7.452 4.158 1.00 0.00 H new ATOM 0 HA SER A 74 8.416 7.140 6.544 1.00 0.00 H new ATOM 0 HB2 SER A 74 8.437 5.093 5.454 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.156 5.800 3.875 1.00 0.00 H new ATOM 0 HG SER A 74 10.344 5.031 4.115 1.00 0.00 H new ATOM 1198 N GLN A 75 9.891 8.181 3.811 1.00 0.00 N ATOM 1199 CA GLN A 75 10.859 9.196 3.303 1.00 0.00 C ATOM 1200 C GLN A 75 11.904 9.481 4.384 1.00 0.00 C ATOM 1201 O GLN A 75 12.694 8.594 4.664 1.00 0.00 O ATOM 1202 CB GLN A 75 10.116 10.488 2.959 1.00 0.00 C ATOM 1203 CG GLN A 75 11.132 11.582 2.619 1.00 0.00 C ATOM 1204 CD GLN A 75 10.726 12.270 1.315 1.00 0.00 C ATOM 1205 OE1 GLN A 75 9.949 13.205 1.324 1.00 0.00 O ATOM 1206 NE2 GLN A 75 11.222 11.848 0.184 1.00 0.00 N ATOM 1207 OXT GLN A 75 11.896 10.580 4.913 1.00 0.00 O ATOM 0 H GLN A 75 9.705 7.403 3.178 1.00 0.00 H new ATOM 0 HA GLN A 75 11.351 8.814 2.408 1.00 0.00 H new ATOM 0 HB2 GLN A 75 9.447 10.322 2.115 1.00 0.00 H new ATOM 0 HB3 GLN A 75 9.497 10.800 3.800 1.00 0.00 H new ATOM 0 HG2 GLN A 75 11.180 12.312 3.427 1.00 0.00 H new ATOM 0 HG3 GLN A 75 12.128 11.150 2.520 1.00 0.00 H new ATOM 0 HE21 GLN A 75 11.874 11.064 0.174 1.00 0.00 H new ATOM 0 HE22 GLN A 75 10.958 12.302 -0.690 1.00 0.00 H new TER 1216 GLN A 75