USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 680 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 37 THR OG1 : rot 59:sc= 0.876 USER MOD Set 1.2: A 74 LYS NZ :NH3+ -148:sc= -0.64 (180deg=-1.9!) USER MOD Set 2.1: A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 80:sc= -2.18! USER MOD Single : A 9 SER OG : rot -40:sc= 1.42 USER MOD Single : A 11 LYS NZ :NH3+ -155:sc= -0.042 (180deg=-0.303) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= -15.7! C(o=-16!,f=-20!) USER MOD Single : A 21 ASN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.436 USER MOD Single : A 56 SER OG : rot -56:sc= 0.0208 USER MOD Single : A 57 THR OG1 : rot -168:sc= -6.14! USER MOD Single : A 58 THR OG1 : rot 25:sc= -7! USER MOD Single : A 59 SER OG : rot 56:sc= 0.921 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 106:sc= 1.24 USER MOD Single : A 72 ASN :FLIP amide:sc= -6.34! C(o=-8!,f=-6.3!) USER MOD Single : A 73 TYR OH : rot 100:sc= -2.37! USER MOD Single : A 76 LYS NZ :NH3+ 146:sc= 0.324 (180deg=0.0253) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -3.13! C(o=-3.1!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 22 N LYS A 2 19.015 -0.950 2.807 1.00 0.00 N ATOM 23 CA LYS A 2 17.845 -1.868 2.939 1.00 0.00 C ATOM 24 C LYS A 2 16.600 -1.073 3.356 1.00 0.00 C ATOM 25 O LYS A 2 16.654 -0.282 4.276 1.00 0.00 O ATOM 26 CB LYS A 2 18.150 -2.927 4.000 1.00 0.00 C ATOM 27 CG LYS A 2 19.403 -3.708 3.597 1.00 0.00 C ATOM 28 CD LYS A 2 19.978 -4.419 4.822 1.00 0.00 C ATOM 29 CE LYS A 2 19.259 -5.755 5.021 1.00 0.00 C ATOM 30 NZ LYS A 2 19.604 -6.311 6.360 1.00 0.00 N ATOM 0 HA LYS A 2 17.657 -2.350 1.980 1.00 0.00 H new ATOM 0 HB2 LYS A 2 18.301 -2.453 4.970 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.304 -3.606 4.105 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.158 -4.435 2.823 1.00 0.00 H new ATOM 0 HG3 LYS A 2 20.146 -3.031 3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.047 -4.585 4.691 1.00 0.00 H new ATOM 0 HD3 LYS A 2 19.859 -3.794 5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.181 -5.615 4.940 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.549 -6.456 4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.115 -7.219 6.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 20.632 -6.459 6.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.306 -5.644 7.100 1.00 0.00 H new ATOM 44 N PRO A 3 15.488 -1.394 2.741 1.00 0.00 N ATOM 45 CA PRO A 3 14.254 -0.597 2.866 1.00 0.00 C ATOM 46 C PRO A 3 13.544 -0.909 4.189 1.00 0.00 C ATOM 47 O PRO A 3 12.754 -1.827 4.277 1.00 0.00 O ATOM 48 CB PRO A 3 13.407 -1.058 1.678 1.00 0.00 C ATOM 49 CG PRO A 3 13.931 -2.459 1.287 1.00 0.00 C ATOM 50 CD PRO A 3 15.355 -2.576 1.864 1.00 0.00 C ATOM 0 HA PRO A 3 14.438 0.477 2.864 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.351 -1.099 1.946 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.497 -0.363 0.843 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.285 -3.240 1.689 1.00 0.00 H new ATOM 0 HG3 PRO A 3 13.941 -2.580 0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.484 -3.503 2.423 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.106 -2.573 1.074 1.00 0.00 H new ATOM 58 N LYS A 4 13.815 -0.149 5.215 1.00 0.00 N ATOM 59 CA LYS A 4 13.153 -0.399 6.525 1.00 0.00 C ATOM 60 C LYS A 4 11.719 0.121 6.475 1.00 0.00 C ATOM 61 O LYS A 4 11.461 1.275 6.746 1.00 0.00 O ATOM 62 CB LYS A 4 13.921 0.329 7.631 1.00 0.00 C ATOM 63 CG LYS A 4 14.436 -0.688 8.651 1.00 0.00 C ATOM 64 CD LYS A 4 15.794 -0.231 9.188 1.00 0.00 C ATOM 65 CE LYS A 4 16.111 -0.981 10.483 1.00 0.00 C ATOM 66 NZ LYS A 4 17.285 -0.349 11.149 1.00 0.00 N ATOM 0 H LYS A 4 14.467 0.635 5.202 1.00 0.00 H new ATOM 0 HA LYS A 4 13.146 -1.469 6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.755 0.885 7.203 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.272 1.055 8.121 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.724 -0.789 9.471 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.529 -1.670 8.186 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.571 -0.419 8.447 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.781 0.843 9.372 1.00 0.00 H new ATOM 0 HE2 LYS A 4 15.248 -0.961 11.148 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.322 -2.028 10.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.501 -0.859 12.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 18.108 -0.390 10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 17.067 0.644 11.368 1.00 0.00 H new ATOM 80 N ILE A 5 10.780 -0.721 6.136 1.00 0.00 N ATOM 81 CA ILE A 5 9.364 -0.264 6.081 1.00 0.00 C ATOM 82 C ILE A 5 8.787 -0.288 7.491 1.00 0.00 C ATOM 83 O ILE A 5 8.701 -1.320 8.127 1.00 0.00 O ATOM 84 CB ILE A 5 8.563 -1.172 5.136 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.307 -0.438 4.659 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.154 -2.456 5.858 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.292 -0.386 3.131 1.00 0.00 C ATOM 0 H ILE A 5 10.932 -1.701 5.896 1.00 0.00 H new ATOM 0 HA ILE A 5 9.307 0.754 5.695 1.00 0.00 H new ATOM 0 HB ILE A 5 9.188 -1.427 4.280 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.415 -0.947 5.024 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.287 0.572 5.067 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.587 -3.091 5.178 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.046 -2.986 6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.537 -2.207 6.721 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.397 0.137 2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.177 0.143 2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.291 -1.401 2.732 1.00 0.00 H new ATOM 99 N LEU A 6 8.427 0.858 7.997 1.00 0.00 N ATOM 100 CA LEU A 6 7.895 0.924 9.379 1.00 0.00 C ATOM 101 C LEU A 6 6.457 1.458 9.402 1.00 0.00 C ATOM 102 O LEU A 6 5.902 1.676 10.460 1.00 0.00 O ATOM 103 CB LEU A 6 8.814 1.817 10.224 1.00 0.00 C ATOM 104 CG LEU A 6 9.166 3.127 9.501 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.240 2.855 8.446 1.00 0.00 C ATOM 106 CD2 LEU A 6 7.924 3.731 8.837 1.00 0.00 C ATOM 0 H LEU A 6 8.480 1.752 7.509 1.00 0.00 H new ATOM 0 HA LEU A 6 7.872 -0.083 9.796 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.326 2.045 11.172 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.730 1.275 10.459 1.00 0.00 H new ATOM 0 HG LEU A 6 9.545 3.840 10.233 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.490 3.784 7.933 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.132 2.456 8.929 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.865 2.131 7.723 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.196 4.657 8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.521 3.026 8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.171 3.940 9.597 1.00 0.00 H new ATOM 118 N THR A 7 5.853 1.672 8.256 1.00 0.00 N ATOM 119 CA THR A 7 4.446 2.188 8.228 1.00 0.00 C ATOM 120 C THR A 7 3.642 1.603 9.393 1.00 0.00 C ATOM 121 O THR A 7 3.620 2.144 10.481 1.00 0.00 O ATOM 122 CB THR A 7 3.781 1.791 6.906 1.00 0.00 C ATOM 123 OG1 THR A 7 2.378 1.672 7.102 1.00 0.00 O ATOM 124 CG2 THR A 7 4.350 0.456 6.421 1.00 0.00 C ATOM 0 H THR A 7 6.273 1.512 7.340 1.00 0.00 H new ATOM 0 HA THR A 7 4.468 3.274 8.320 1.00 0.00 H new ATOM 0 HB THR A 7 3.980 2.556 6.156 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.970 2.563 7.092 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.874 0.178 5.481 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.425 0.552 6.269 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.157 -0.315 7.167 1.00 0.00 H new ATOM 132 N ALA A 8 2.981 0.506 9.171 1.00 0.00 N ATOM 133 CA ALA A 8 2.174 -0.119 10.255 1.00 0.00 C ATOM 134 C ALA A 8 1.641 -1.463 9.772 1.00 0.00 C ATOM 135 O ALA A 8 1.765 -2.475 10.432 1.00 0.00 O ATOM 136 CB ALA A 8 1.006 0.799 10.603 1.00 0.00 C ATOM 0 H ALA A 8 2.964 0.010 8.280 1.00 0.00 H new ATOM 0 HA ALA A 8 2.794 -0.270 11.139 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.411 0.346 11.396 1.00 0.00 H new ATOM 0 HB2 ALA A 8 1.388 1.762 10.941 1.00 0.00 H new ATOM 0 HB3 ALA A 8 0.383 0.945 9.721 1.00 0.00 H new ATOM 142 N SER A 9 1.055 -1.468 8.618 1.00 0.00 N ATOM 143 CA SER A 9 0.505 -2.732 8.050 1.00 0.00 C ATOM 144 C SER A 9 -0.546 -3.315 8.994 1.00 0.00 C ATOM 145 O SER A 9 -0.311 -3.499 10.172 1.00 0.00 O ATOM 146 CB SER A 9 1.639 -3.740 7.860 1.00 0.00 C ATOM 147 OG SER A 9 1.653 -4.646 8.955 1.00 0.00 O ATOM 0 H SER A 9 0.929 -0.643 8.031 1.00 0.00 H new ATOM 0 HA SER A 9 0.040 -2.520 7.087 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.504 -4.284 6.925 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.595 -3.220 7.791 1.00 0.00 H new ATOM 0 HG SER A 9 1.473 -4.158 9.786 1.00 0.00 H new ATOM 153 N ARG A 10 -1.708 -3.606 8.478 1.00 0.00 N ATOM 154 CA ARG A 10 -2.785 -4.176 9.329 1.00 0.00 C ATOM 155 C ARG A 10 -4.063 -4.301 8.502 1.00 0.00 C ATOM 156 O ARG A 10 -4.311 -5.304 7.860 1.00 0.00 O ATOM 157 CB ARG A 10 -3.029 -3.248 10.519 1.00 0.00 C ATOM 158 CG ARG A 10 -2.359 -3.825 11.767 1.00 0.00 C ATOM 159 CD ARG A 10 -3.281 -3.639 12.974 1.00 0.00 C ATOM 160 NE ARG A 10 -2.475 -3.673 14.227 1.00 0.00 N ATOM 161 CZ ARG A 10 -2.935 -3.115 15.313 1.00 0.00 C ATOM 162 NH1 ARG A 10 -2.722 -1.847 15.536 1.00 0.00 N ATOM 163 NH2 ARG A 10 -3.607 -3.825 16.177 1.00 0.00 N ATOM 0 H ARG A 10 -1.957 -3.472 7.498 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.491 -5.161 9.693 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.631 -2.256 10.306 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.099 -3.133 10.689 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.143 -4.883 11.620 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.406 -3.327 11.944 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.812 -2.690 12.896 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.035 -4.426 12.993 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.564 -4.132 14.236 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.196 -1.292 14.861 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -3.082 -1.411 16.385 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.773 -4.816 16.004 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -3.967 -3.389 17.026 1.00 0.00 H new ATOM 177 N LYS A 11 -4.866 -3.285 8.509 1.00 0.00 N ATOM 178 CA LYS A 11 -6.132 -3.321 7.724 1.00 0.00 C ATOM 179 C LYS A 11 -6.662 -1.899 7.549 1.00 0.00 C ATOM 180 O LYS A 11 -6.002 -0.935 7.880 1.00 0.00 O ATOM 181 CB LYS A 11 -7.175 -4.163 8.462 1.00 0.00 C ATOM 182 CG LYS A 11 -7.282 -3.689 9.912 1.00 0.00 C ATOM 183 CD LYS A 11 -8.391 -2.642 10.027 1.00 0.00 C ATOM 184 CE LYS A 11 -9.035 -2.728 11.412 1.00 0.00 C ATOM 185 NZ LYS A 11 -9.880 -3.953 11.491 1.00 0.00 N ATOM 0 H LYS A 11 -4.704 -2.421 9.027 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.937 -3.763 6.747 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.143 -4.077 7.968 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.895 -5.216 8.432 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.496 -4.534 10.567 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.332 -3.265 10.238 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.982 -1.645 9.866 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.142 -2.807 9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.264 -2.754 12.182 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.642 -1.842 11.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -10.621 -3.818 12.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -10.321 -4.131 10.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.288 -4.767 11.754 1.00 0.00 H new ATOM 199 N ILE A 12 -7.851 -1.764 7.032 1.00 0.00 N ATOM 200 CA ILE A 12 -8.428 -0.409 6.831 1.00 0.00 C ATOM 201 C ILE A 12 -9.951 -0.511 6.768 1.00 0.00 C ATOM 202 O ILE A 12 -10.498 -1.448 6.222 1.00 0.00 O ATOM 203 CB ILE A 12 -7.915 0.176 5.513 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.407 0.430 5.608 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.638 1.493 5.232 1.00 0.00 C ATOM 206 CD1 ILE A 12 -6.127 1.463 6.702 1.00 0.00 C ATOM 0 H ILE A 12 -8.449 -2.537 6.740 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.133 0.235 7.659 1.00 0.00 H new ATOM 0 HB ILE A 12 -8.107 -0.529 4.705 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.885 -0.501 5.831 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.027 0.787 4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.276 1.914 4.294 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.710 1.311 5.158 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.444 2.195 6.043 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.054 1.642 6.767 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.636 2.396 6.460 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.491 1.088 7.658 1.00 0.00 H new ATOM 218 N LYS A 13 -10.641 0.450 7.312 1.00 0.00 N ATOM 219 CA LYS A 13 -12.128 0.412 7.271 1.00 0.00 C ATOM 220 C LYS A 13 -12.624 1.534 6.359 1.00 0.00 C ATOM 221 O LYS A 13 -13.053 2.574 6.817 1.00 0.00 O ATOM 222 CB LYS A 13 -12.686 0.613 8.682 1.00 0.00 C ATOM 223 CG LYS A 13 -13.336 -0.686 9.164 1.00 0.00 C ATOM 224 CD LYS A 13 -14.671 -0.888 8.445 1.00 0.00 C ATOM 225 CE LYS A 13 -15.807 -0.899 9.471 1.00 0.00 C ATOM 226 NZ LYS A 13 -16.236 -2.305 9.721 1.00 0.00 N ATOM 0 H LYS A 13 -10.240 1.261 7.784 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.464 -0.552 6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.886 0.906 9.362 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.418 1.421 8.683 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.675 -1.530 8.969 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.494 -0.648 10.242 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -14.830 -0.090 7.719 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.659 -1.826 7.890 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.476 -0.437 10.401 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.648 -0.310 9.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.008 -2.314 10.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.568 -2.730 8.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.432 -2.853 10.088 1.00 0.00 H new ATOM 240 N ILE A 14 -12.564 1.336 5.070 1.00 0.00 N ATOM 241 CA ILE A 14 -13.029 2.400 4.139 1.00 0.00 C ATOM 242 C ILE A 14 -14.518 2.195 3.846 1.00 0.00 C ATOM 243 O ILE A 14 -15.066 1.137 4.080 1.00 0.00 O ATOM 244 CB ILE A 14 -12.212 2.335 2.841 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.762 1.964 3.178 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.248 3.696 2.144 1.00 0.00 C ATOM 247 CD1 ILE A 14 -9.861 2.189 1.959 1.00 0.00 C ATOM 0 H ILE A 14 -12.215 0.488 4.624 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.888 3.381 4.592 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.636 1.582 2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.410 2.566 4.016 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.709 0.921 3.491 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.668 3.648 1.223 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.280 3.958 1.910 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -11.822 4.453 2.802 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.835 1.922 2.211 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.205 1.567 1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -9.901 3.238 1.665 1.00 0.00 H new ATOM 259 N LYS A 15 -15.185 3.199 3.350 1.00 0.00 N ATOM 260 CA LYS A 15 -16.638 3.046 3.059 1.00 0.00 C ATOM 261 C LYS A 15 -16.840 2.884 1.553 1.00 0.00 C ATOM 262 O LYS A 15 -15.904 2.955 0.781 1.00 0.00 O ATOM 263 CB LYS A 15 -17.391 4.285 3.545 1.00 0.00 C ATOM 264 CG LYS A 15 -18.556 3.859 4.441 1.00 0.00 C ATOM 265 CD LYS A 15 -18.013 3.241 5.730 1.00 0.00 C ATOM 266 CE LYS A 15 -18.894 3.663 6.906 1.00 0.00 C ATOM 267 NZ LYS A 15 -19.786 2.532 7.289 1.00 0.00 N ATOM 0 H LYS A 15 -14.790 4.114 3.134 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.021 2.165 3.575 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.716 4.940 4.096 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.763 4.854 2.693 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.182 4.720 4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -19.186 3.139 3.918 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -17.995 2.154 5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.986 3.564 5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.273 3.954 7.753 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.490 4.534 6.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -20.386 2.818 8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.387 2.275 6.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.208 1.713 7.565 1.00 0.00 H new ATOM 281 N ALA A 16 -18.052 2.666 1.127 1.00 0.00 N ATOM 282 CA ALA A 16 -18.306 2.498 -0.329 1.00 0.00 C ATOM 283 C ALA A 16 -18.351 3.876 -0.996 1.00 0.00 C ATOM 284 O ALA A 16 -18.685 4.861 -0.373 1.00 0.00 O ATOM 285 CB ALA A 16 -19.640 1.781 -0.534 1.00 0.00 C ATOM 0 H ALA A 16 -18.876 2.597 1.724 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.508 1.905 -0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -19.827 1.658 -1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.604 0.802 -0.056 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.442 2.371 -0.091 1.00 0.00 H new ATOM 291 N GLY A 17 -18.013 3.953 -2.255 1.00 0.00 N ATOM 292 CA GLY A 17 -18.031 5.271 -2.955 1.00 0.00 C ATOM 293 C GLY A 17 -17.370 6.329 -2.067 1.00 0.00 C ATOM 294 O GLY A 17 -17.713 7.493 -2.115 1.00 0.00 O ATOM 0 H GLY A 17 -17.725 3.161 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.503 5.197 -3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.057 5.561 -3.182 1.00 0.00 H new ATOM 298 N PHE A 18 -16.435 5.931 -1.244 1.00 0.00 N ATOM 299 CA PHE A 18 -15.767 6.920 -0.340 1.00 0.00 C ATOM 300 C PHE A 18 -14.333 7.190 -0.798 1.00 0.00 C ATOM 301 O PHE A 18 -13.872 6.663 -1.793 1.00 0.00 O ATOM 302 CB PHE A 18 -15.739 6.373 1.088 1.00 0.00 C ATOM 303 CG PHE A 18 -16.982 6.820 1.814 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.169 6.997 1.102 1.00 0.00 C ATOM 305 CD2 PHE A 18 -16.948 7.053 3.193 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.330 7.408 1.766 1.00 0.00 C ATOM 307 CE2 PHE A 18 -18.108 7.465 3.860 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.300 7.643 3.147 1.00 0.00 C ATOM 0 H PHE A 18 -16.105 4.970 -1.157 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.331 7.852 -0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.684 5.284 1.072 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -14.851 6.729 1.609 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.192 6.817 0.037 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.028 6.915 3.742 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.249 7.544 1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -18.083 7.646 4.925 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.195 7.961 3.661 1.00 0.00 H new ATOM 318 N THR A 19 -13.627 8.017 -0.069 1.00 0.00 N ATOM 319 CA THR A 19 -12.222 8.339 -0.444 1.00 0.00 C ATOM 320 C THR A 19 -11.282 7.995 0.716 1.00 0.00 C ATOM 321 O THR A 19 -11.522 8.356 1.851 1.00 0.00 O ATOM 322 CB THR A 19 -12.112 9.832 -0.763 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.424 10.587 0.399 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.089 10.187 -1.883 1.00 0.00 C ATOM 0 H THR A 19 -13.967 8.483 0.772 1.00 0.00 H new ATOM 0 HA THR A 19 -11.940 7.754 -1.320 1.00 0.00 H new ATOM 0 HB THR A 19 -11.096 10.063 -1.083 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.352 11.543 0.197 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.011 11.250 -2.110 1.00 0.00 H new ATOM 0 HG22 THR A 19 -12.848 9.607 -2.774 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.106 9.958 -1.565 1.00 0.00 H new ATOM 332 N HIS A 20 -10.213 7.296 0.438 1.00 0.00 N ATOM 333 CA HIS A 20 -9.257 6.924 1.524 1.00 0.00 C ATOM 334 C HIS A 20 -7.874 7.509 1.226 1.00 0.00 C ATOM 335 O HIS A 20 -7.520 7.748 0.088 1.00 0.00 O ATOM 336 CB HIS A 20 -9.142 5.402 1.597 1.00 0.00 C ATOM 337 CG HIS A 20 -9.073 4.954 3.026 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.169 5.019 3.868 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.055 4.409 3.770 1.00 0.00 C ATOM 340 CE1 HIS A 20 -9.796 4.522 5.057 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.515 4.139 5.056 1.00 0.00 N ATOM 0 H HIS A 20 -9.960 6.966 -0.494 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.624 7.319 2.471 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -9.999 4.942 1.105 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.252 5.072 1.062 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -11.093 5.379 3.628 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.054 4.219 3.413 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.451 4.441 5.912 1.00 0.00 H new ATOM 349 N ASN A 21 -7.082 7.721 2.243 1.00 0.00 N ATOM 350 CA ASN A 21 -5.711 8.269 2.028 1.00 0.00 C ATOM 351 C ASN A 21 -4.709 7.349 2.728 1.00 0.00 C ATOM 352 O ASN A 21 -4.347 7.558 3.869 1.00 0.00 O ATOM 353 CB ASN A 21 -5.596 9.688 2.605 1.00 0.00 C ATOM 354 CG ASN A 21 -6.976 10.212 3.018 1.00 0.00 C ATOM 355 OD1 ASN A 21 -7.627 10.904 2.261 1.00 0.00 O ATOM 356 ND2 ASN A 21 -7.450 9.908 4.195 1.00 0.00 N ATOM 0 H ASN A 21 -7.326 7.538 3.216 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.504 8.318 0.959 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.929 9.684 3.467 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.154 10.354 1.864 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -8.367 10.251 4.480 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.903 9.327 4.830 1.00 0.00 H new ATOM 363 N LEU A 22 -4.278 6.320 2.055 1.00 0.00 N ATOM 364 CA LEU A 22 -3.320 5.359 2.668 1.00 0.00 C ATOM 365 C LEU A 22 -1.947 6.004 2.850 1.00 0.00 C ATOM 366 O LEU A 22 -1.415 6.627 1.951 1.00 0.00 O ATOM 367 CB LEU A 22 -3.189 4.159 1.742 1.00 0.00 C ATOM 368 CG LEU A 22 -2.152 3.185 2.293 1.00 0.00 C ATOM 369 CD1 LEU A 22 -2.594 1.766 1.952 1.00 0.00 C ATOM 370 CD2 LEU A 22 -0.780 3.463 1.660 1.00 0.00 C ATOM 0 H LEU A 22 -4.551 6.101 1.097 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.691 5.056 3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.153 3.659 1.643 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.897 4.489 0.745 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.069 3.306 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.864 1.055 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.566 1.569 2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.668 1.658 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.046 2.763 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.847 3.341 0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.472 4.483 1.892 1.00 0.00 H new ATOM 382 N GLU A 23 -1.365 5.839 4.008 1.00 0.00 N ATOM 383 CA GLU A 23 -0.019 6.422 4.263 1.00 0.00 C ATOM 384 C GLU A 23 0.951 5.305 4.662 1.00 0.00 C ATOM 385 O GLU A 23 0.605 4.400 5.396 1.00 0.00 O ATOM 386 CB GLU A 23 -0.113 7.445 5.397 1.00 0.00 C ATOM 387 CG GLU A 23 -0.985 6.882 6.522 1.00 0.00 C ATOM 388 CD GLU A 23 -0.799 7.726 7.784 1.00 0.00 C ATOM 389 OE1 GLU A 23 0.256 7.627 8.389 1.00 0.00 O ATOM 390 OE2 GLU A 23 -1.714 8.457 8.124 1.00 0.00 O ATOM 0 H GLU A 23 -1.767 5.323 4.791 1.00 0.00 H new ATOM 0 HA GLU A 23 0.343 6.914 3.360 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.883 7.677 5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.538 8.378 5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.033 6.885 6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.714 5.845 6.722 1.00 0.00 H new ATOM 397 N VAL A 24 2.163 5.366 4.185 1.00 0.00 N ATOM 398 CA VAL A 24 3.165 4.316 4.532 1.00 0.00 C ATOM 399 C VAL A 24 4.564 4.925 4.442 1.00 0.00 C ATOM 400 O VAL A 24 4.754 5.977 3.864 1.00 0.00 O ATOM 401 CB VAL A 24 3.043 3.140 3.550 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.356 2.349 3.495 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.927 2.207 4.015 1.00 0.00 C ATOM 0 H VAL A 24 2.506 6.101 3.567 1.00 0.00 H new ATOM 0 HA VAL A 24 2.986 3.950 5.543 1.00 0.00 H new ATOM 0 HB VAL A 24 2.820 3.535 2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.252 1.520 2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.162 3.004 3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.588 1.960 4.486 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.838 1.372 3.320 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.160 1.828 5.010 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.985 2.754 4.047 1.00 0.00 H new ATOM 413 N ASP A 25 5.550 4.276 5.000 1.00 0.00 N ATOM 414 CA ASP A 25 6.920 4.838 4.924 1.00 0.00 C ATOM 415 C ASP A 25 7.959 3.757 5.183 1.00 0.00 C ATOM 416 O ASP A 25 7.780 2.884 6.007 1.00 0.00 O ATOM 417 CB ASP A 25 7.075 5.957 5.956 1.00 0.00 C ATOM 418 CG ASP A 25 8.535 6.413 6.001 1.00 0.00 C ATOM 419 OD1 ASP A 25 9.347 5.680 6.541 1.00 0.00 O ATOM 420 OD2 ASP A 25 8.816 7.487 5.496 1.00 0.00 O ATOM 0 H ASP A 25 5.464 3.391 5.499 1.00 0.00 H new ATOM 0 HA ASP A 25 7.076 5.238 3.922 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.429 6.796 5.698 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.763 5.605 6.939 1.00 0.00 H new ATOM 425 N PHE A 26 9.056 3.827 4.485 1.00 0.00 N ATOM 426 CA PHE A 26 10.136 2.819 4.688 1.00 0.00 C ATOM 427 C PHE A 26 11.494 3.495 4.454 1.00 0.00 C ATOM 428 O PHE A 26 11.560 4.632 4.035 1.00 0.00 O ATOM 429 CB PHE A 26 9.949 1.632 3.725 1.00 0.00 C ATOM 430 CG PHE A 26 9.807 2.100 2.299 1.00 0.00 C ATOM 431 CD1 PHE A 26 8.588 2.624 1.844 1.00 0.00 C ATOM 432 CD2 PHE A 26 10.891 1.986 1.421 1.00 0.00 C ATOM 433 CE1 PHE A 26 8.458 3.033 0.513 1.00 0.00 C ATOM 434 CE2 PHE A 26 10.759 2.400 0.093 1.00 0.00 C ATOM 435 CZ PHE A 26 9.544 2.922 -0.361 1.00 0.00 C ATOM 0 H PHE A 26 9.253 4.539 3.781 1.00 0.00 H new ATOM 0 HA PHE A 26 10.092 2.434 5.707 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.802 0.958 3.805 1.00 0.00 H new ATOM 0 HB3 PHE A 26 9.065 1.063 4.013 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.751 2.711 2.521 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.828 1.578 1.770 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.519 3.434 0.160 1.00 0.00 H new ATOM 0 HE2 PHE A 26 11.597 2.317 -0.584 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.444 3.240 -1.388 1.00 0.00 H new ATOM 445 N ILE A 27 12.578 2.822 4.740 1.00 0.00 N ATOM 446 CA ILE A 27 13.915 3.461 4.546 1.00 0.00 C ATOM 447 C ILE A 27 14.750 2.648 3.553 1.00 0.00 C ATOM 448 O ILE A 27 15.557 1.823 3.931 1.00 0.00 O ATOM 449 CB ILE A 27 14.636 3.542 5.899 1.00 0.00 C ATOM 450 CG1 ILE A 27 14.105 4.746 6.676 1.00 0.00 C ATOM 451 CG2 ILE A 27 16.144 3.710 5.687 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.584 4.651 6.789 1.00 0.00 C ATOM 0 H ILE A 27 12.597 1.866 5.096 1.00 0.00 H new ATOM 0 HA ILE A 27 13.782 4.465 4.144 1.00 0.00 H new ATOM 0 HB ILE A 27 14.454 2.623 6.455 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.553 4.777 7.669 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.386 5.670 6.171 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.643 3.766 6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.530 2.857 5.128 1.00 0.00 H new ATOM 0 HG23 ILE A 27 16.333 4.626 5.127 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.206 5.510 7.343 1.00 0.00 H new ATOM 0 HD12 ILE A 27 12.145 4.641 5.791 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.315 3.734 7.313 1.00 0.00 H new ATOM 464 N GLY A 28 14.573 2.891 2.287 1.00 0.00 N ATOM 465 CA GLY A 28 15.363 2.145 1.267 1.00 0.00 C ATOM 466 C GLY A 28 16.127 3.137 0.386 1.00 0.00 C ATOM 467 O GLY A 28 15.691 4.249 0.167 1.00 0.00 O ATOM 0 H GLY A 28 13.915 3.574 1.912 1.00 0.00 H new ATOM 0 HA2 GLY A 28 16.061 1.466 1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.700 1.534 0.654 1.00 0.00 H new ATOM 471 N ALA A 29 17.263 2.748 -0.125 1.00 0.00 N ATOM 472 CA ALA A 29 18.041 3.679 -0.992 1.00 0.00 C ATOM 473 C ALA A 29 19.167 2.908 -1.693 1.00 0.00 C ATOM 474 O ALA A 29 19.371 1.742 -1.424 1.00 0.00 O ATOM 475 CB ALA A 29 18.625 4.798 -0.133 1.00 0.00 C ATOM 0 H ALA A 29 17.685 1.831 0.019 1.00 0.00 H new ATOM 0 HA ALA A 29 17.387 4.113 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 29 19.195 5.481 -0.763 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.816 5.343 0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 29 19.282 4.370 0.625 1.00 0.00 H new ATOM 481 N PRO A 30 19.847 3.574 -2.596 1.00 0.00 N ATOM 482 CA PRO A 30 19.600 4.995 -2.924 1.00 0.00 C ATOM 483 C PRO A 30 18.284 5.165 -3.685 1.00 0.00 C ATOM 484 O PRO A 30 17.905 6.261 -4.047 1.00 0.00 O ATOM 485 CB PRO A 30 20.802 5.380 -3.792 1.00 0.00 C ATOM 486 CG PRO A 30 21.369 4.060 -4.361 1.00 0.00 C ATOM 487 CD PRO A 30 20.918 2.947 -3.398 1.00 0.00 C ATOM 0 HA PRO A 30 19.504 5.624 -2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.501 6.052 -4.596 1.00 0.00 H new ATOM 0 HB3 PRO A 30 21.555 5.904 -3.203 1.00 0.00 H new ATOM 0 HG2 PRO A 30 20.995 3.878 -5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.456 4.100 -4.427 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.551 2.076 -3.940 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.740 2.608 -2.768 1.00 0.00 H new ATOM 495 N ASP A 31 17.578 4.096 -3.919 1.00 0.00 N ATOM 496 CA ASP A 31 16.284 4.212 -4.641 1.00 0.00 C ATOM 497 C ASP A 31 15.544 2.872 -4.577 1.00 0.00 C ATOM 498 O ASP A 31 15.726 2.024 -5.427 1.00 0.00 O ATOM 499 CB ASP A 31 16.542 4.587 -6.102 1.00 0.00 C ATOM 500 CG ASP A 31 15.590 5.711 -6.515 1.00 0.00 C ATOM 501 OD1 ASP A 31 15.152 6.441 -5.641 1.00 0.00 O ATOM 502 OD2 ASP A 31 15.316 5.823 -7.698 1.00 0.00 O ATOM 0 H ASP A 31 17.840 3.150 -3.642 1.00 0.00 H new ATOM 0 HA ASP A 31 15.675 4.986 -4.174 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.576 4.907 -6.230 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.396 3.718 -6.743 1.00 0.00 H new ATOM 507 N PRO A 32 14.734 2.724 -3.560 1.00 0.00 N ATOM 508 CA PRO A 32 13.949 1.497 -3.341 1.00 0.00 C ATOM 509 C PRO A 32 12.712 1.477 -4.243 1.00 0.00 C ATOM 510 O PRO A 32 12.260 2.500 -4.717 1.00 0.00 O ATOM 511 CB PRO A 32 13.531 1.599 -1.873 1.00 0.00 C ATOM 512 CG PRO A 32 13.589 3.102 -1.509 1.00 0.00 C ATOM 513 CD PRO A 32 14.527 3.766 -2.534 1.00 0.00 C ATOM 0 HA PRO A 32 14.510 0.590 -3.568 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.527 1.202 -1.726 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.200 1.019 -1.237 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.595 3.549 -1.547 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.963 3.241 -0.495 1.00 0.00 H new ATOM 0 HD2 PRO A 32 14.079 4.663 -2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.469 4.067 -2.076 1.00 0.00 H new ATOM 521 N THR A 33 12.154 0.321 -4.468 1.00 0.00 N ATOM 522 CA THR A 33 10.939 0.231 -5.322 1.00 0.00 C ATOM 523 C THR A 33 9.777 -0.293 -4.477 1.00 0.00 C ATOM 524 O THR A 33 9.787 -1.420 -4.020 1.00 0.00 O ATOM 525 CB THR A 33 11.196 -0.727 -6.487 1.00 0.00 C ATOM 526 OG1 THR A 33 12.155 -0.155 -7.365 1.00 0.00 O ATOM 527 CG2 THR A 33 9.889 -0.970 -7.242 1.00 0.00 C ATOM 0 H THR A 33 12.489 -0.568 -4.096 1.00 0.00 H new ATOM 0 HA THR A 33 10.695 1.217 -5.718 1.00 0.00 H new ATOM 0 HB THR A 33 11.575 -1.675 -6.105 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.322 -0.768 -8.111 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.070 -1.652 -8.073 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.154 -1.408 -6.566 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.509 -0.023 -7.626 1.00 0.00 H new ATOM 535 N ALA A 34 8.776 0.516 -4.262 1.00 0.00 N ATOM 536 CA ALA A 34 7.615 0.063 -3.444 1.00 0.00 C ATOM 537 C ALA A 34 6.479 -0.366 -4.372 1.00 0.00 C ATOM 538 O ALA A 34 6.035 0.386 -5.216 1.00 0.00 O ATOM 539 CB ALA A 34 7.143 1.210 -2.547 1.00 0.00 C ATOM 0 H ALA A 34 8.712 1.470 -4.617 1.00 0.00 H new ATOM 0 HA ALA A 34 7.913 -0.781 -2.822 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.294 0.879 -1.949 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.955 1.514 -1.887 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.843 2.056 -3.166 1.00 0.00 H new ATOM 545 N THR A 35 6.010 -1.574 -4.227 1.00 0.00 N ATOM 546 CA THR A 35 4.908 -2.054 -5.105 1.00 0.00 C ATOM 547 C THR A 35 3.610 -2.151 -4.303 1.00 0.00 C ATOM 548 O THR A 35 3.524 -2.863 -3.318 1.00 0.00 O ATOM 549 CB THR A 35 5.265 -3.433 -5.665 1.00 0.00 C ATOM 550 OG1 THR A 35 6.358 -3.309 -6.565 1.00 0.00 O ATOM 551 CG2 THR A 35 4.058 -4.015 -6.402 1.00 0.00 C ATOM 0 H THR A 35 6.342 -2.249 -3.538 1.00 0.00 H new ATOM 0 HA THR A 35 4.771 -1.350 -5.926 1.00 0.00 H new ATOM 0 HB THR A 35 5.542 -4.097 -4.846 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.589 -4.192 -6.923 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.314 -4.997 -6.800 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.221 -4.111 -5.711 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.778 -3.353 -7.221 1.00 0.00 H new ATOM 559 N TRP A 36 2.597 -1.445 -4.728 1.00 0.00 N ATOM 560 CA TRP A 36 1.290 -1.490 -4.014 1.00 0.00 C ATOM 561 C TRP A 36 0.420 -2.582 -4.648 1.00 0.00 C ATOM 562 O TRP A 36 -0.242 -2.370 -5.651 1.00 0.00 O ATOM 563 CB TRP A 36 0.597 -0.133 -4.148 1.00 0.00 C ATOM 564 CG TRP A 36 1.090 0.799 -3.081 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.856 1.894 -3.297 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.859 0.741 -1.643 1.00 0.00 C ATOM 567 NE1 TRP A 36 2.100 2.515 -2.086 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.507 1.843 -1.037 1.00 0.00 C ATOM 569 CE3 TRP A 36 0.157 -0.149 -0.815 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.455 2.055 0.342 1.00 0.00 C ATOM 571 CZ3 TRP A 36 0.104 0.060 0.571 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.749 1.160 1.147 1.00 0.00 C ATOM 0 H TRP A 36 2.620 -0.835 -5.545 1.00 0.00 H new ATOM 0 HA TRP A 36 1.444 -1.711 -2.958 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.795 0.290 -5.133 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.483 -0.256 -4.065 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.218 2.228 -4.258 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.651 3.367 -1.981 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.346 -1.001 -1.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.957 2.904 0.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.438 -0.633 1.198 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.700 1.316 2.215 1.00 0.00 H new ATOM 583 N THR A 37 0.427 -3.758 -4.086 1.00 0.00 N ATOM 584 CA THR A 37 -0.384 -4.862 -4.673 1.00 0.00 C ATOM 585 C THR A 37 -1.648 -5.089 -3.849 1.00 0.00 C ATOM 586 O THR A 37 -1.737 -4.701 -2.702 1.00 0.00 O ATOM 587 CB THR A 37 0.443 -6.152 -4.685 1.00 0.00 C ATOM 588 OG1 THR A 37 1.514 -6.032 -3.760 1.00 0.00 O ATOM 589 CG2 THR A 37 1.003 -6.398 -6.086 1.00 0.00 C ATOM 0 H THR A 37 0.956 -4.003 -3.249 1.00 0.00 H new ATOM 0 HA THR A 37 -0.665 -4.588 -5.690 1.00 0.00 H new ATOM 0 HB THR A 37 -0.193 -6.991 -4.403 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.155 -5.868 -2.863 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.590 -7.317 -6.087 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.181 -6.492 -6.795 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.638 -5.561 -6.376 1.00 0.00 H new ATOM 597 N VAL A 38 -2.628 -5.720 -4.431 1.00 0.00 N ATOM 598 CA VAL A 38 -3.893 -5.983 -3.691 1.00 0.00 C ATOM 599 C VAL A 38 -3.964 -7.462 -3.304 1.00 0.00 C ATOM 600 O VAL A 38 -4.940 -8.135 -3.569 1.00 0.00 O ATOM 601 CB VAL A 38 -5.086 -5.636 -4.581 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.212 -6.675 -5.694 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.358 -5.643 -3.738 1.00 0.00 C ATOM 0 H VAL A 38 -2.608 -6.066 -5.390 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.918 -5.370 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.939 -4.649 -5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.063 -6.427 -6.328 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.301 -6.679 -6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.362 -7.662 -5.255 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.213 -5.396 -4.367 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.501 -6.632 -3.303 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.270 -4.906 -2.940 1.00 0.00 H new ATOM 650 N ALA A 43 -1.658 -10.168 -6.986 1.00 0.00 N ATOM 651 CA ALA A 43 -2.661 -9.186 -7.469 1.00 0.00 C ATOM 652 C ALA A 43 -2.088 -7.775 -7.368 1.00 0.00 C ATOM 653 O ALA A 43 -1.372 -7.446 -6.443 1.00 0.00 O ATOM 654 CB ALA A 43 -3.929 -9.272 -6.620 1.00 0.00 C ATOM 0 HA ALA A 43 -2.904 -9.413 -8.507 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.659 -8.548 -6.982 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.347 -10.276 -6.692 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.686 -9.054 -5.580 1.00 0.00 H new ATOM 660 N ALA A 44 -2.411 -6.935 -8.306 1.00 0.00 N ATOM 661 CA ALA A 44 -1.897 -5.540 -8.264 1.00 0.00 C ATOM 662 C ALA A 44 -3.008 -4.621 -7.768 1.00 0.00 C ATOM 663 O ALA A 44 -4.175 -4.866 -8.003 1.00 0.00 O ATOM 664 CB ALA A 44 -1.462 -5.105 -9.665 1.00 0.00 C ATOM 0 H ALA A 44 -3.010 -7.153 -9.102 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.040 -5.485 -7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.086 -4.082 -9.628 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.675 -5.768 -10.024 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.315 -5.154 -10.342 1.00 0.00 H new ATOM 670 N LEU A 45 -2.666 -3.569 -7.081 1.00 0.00 N ATOM 671 CA LEU A 45 -3.724 -2.654 -6.577 1.00 0.00 C ATOM 672 C LEU A 45 -4.740 -2.381 -7.690 1.00 0.00 C ATOM 673 O LEU A 45 -4.477 -2.613 -8.853 1.00 0.00 O ATOM 674 CB LEU A 45 -3.085 -1.353 -6.111 1.00 0.00 C ATOM 675 CG LEU A 45 -3.420 -1.142 -4.638 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.523 -2.028 -3.773 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.202 0.327 -4.272 1.00 0.00 C ATOM 0 H LEU A 45 -1.709 -3.305 -6.848 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.242 -3.116 -5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.005 -1.392 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.454 -0.517 -6.706 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.462 -1.408 -4.461 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.765 -1.874 -2.721 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.685 -3.074 -4.034 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.479 -1.768 -3.946 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.441 0.479 -3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.161 0.596 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.849 0.955 -4.885 1.00 0.00 H new ATOM 728 N LEU A 49 -8.558 3.030 -8.071 1.00 0.00 N ATOM 729 CA LEU A 49 -8.064 3.962 -7.034 1.00 0.00 C ATOM 730 C LEU A 49 -6.763 4.598 -7.516 1.00 0.00 C ATOM 731 O LEU A 49 -6.399 4.488 -8.670 1.00 0.00 O ATOM 732 CB LEU A 49 -7.822 3.202 -5.730 1.00 0.00 C ATOM 733 CG LEU A 49 -6.697 2.189 -5.929 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.654 2.352 -4.824 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.279 0.780 -5.868 1.00 0.00 C ATOM 0 HA LEU A 49 -8.805 4.741 -6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.561 3.899 -4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.734 2.692 -5.420 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.225 2.355 -6.897 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.853 1.627 -4.970 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.242 3.360 -4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.122 2.185 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.482 0.051 -6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.748 0.622 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.024 0.660 -6.654 1.00 0.00 H new ATOM 747 N LEU A 50 -6.055 5.260 -6.647 1.00 0.00 N ATOM 748 CA LEU A 50 -4.774 5.898 -7.074 1.00 0.00 C ATOM 749 C LEU A 50 -3.642 5.393 -6.182 1.00 0.00 C ATOM 750 O LEU A 50 -3.874 4.749 -5.180 1.00 0.00 O ATOM 751 CB LEU A 50 -4.866 7.428 -6.964 1.00 0.00 C ATOM 752 CG LEU A 50 -6.304 7.857 -6.653 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.336 9.357 -6.356 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.195 7.558 -7.860 1.00 0.00 C ATOM 0 H LEU A 50 -6.302 5.388 -5.666 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.579 5.635 -8.114 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.197 7.783 -6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.537 7.886 -7.897 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.668 7.307 -5.785 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.359 9.662 -6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.699 9.572 -5.498 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.973 9.908 -7.224 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.218 7.862 -7.641 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.830 8.109 -8.727 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.172 6.489 -8.073 1.00 0.00 H new ATOM 766 N VAL A 51 -2.417 5.673 -6.535 1.00 0.00 N ATOM 767 CA VAL A 51 -1.285 5.195 -5.695 1.00 0.00 C ATOM 768 C VAL A 51 -0.050 6.063 -5.932 1.00 0.00 C ATOM 769 O VAL A 51 0.371 6.268 -7.053 1.00 0.00 O ATOM 770 CB VAL A 51 -0.963 3.744 -6.051 1.00 0.00 C ATOM 771 CG1 VAL A 51 0.191 3.248 -5.178 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.197 2.878 -5.801 1.00 0.00 C ATOM 0 H VAL A 51 -2.153 6.208 -7.362 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.570 5.261 -4.645 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.677 3.681 -7.101 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.421 2.213 -5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.071 3.868 -5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.095 3.309 -4.128 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.972 1.842 -6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.480 2.942 -4.750 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.021 3.232 -6.421 1.00 0.00 H new ATOM 782 N ASP A 52 0.540 6.567 -4.882 1.00 0.00 N ATOM 783 CA ASP A 52 1.754 7.410 -5.046 1.00 0.00 C ATOM 784 C ASP A 52 2.855 6.885 -4.125 1.00 0.00 C ATOM 785 O ASP A 52 2.604 6.481 -3.011 1.00 0.00 O ATOM 786 CB ASP A 52 1.433 8.860 -4.682 1.00 0.00 C ATOM 787 CG ASP A 52 0.375 8.889 -3.578 1.00 0.00 C ATOM 788 OD1 ASP A 52 -0.766 8.569 -3.868 1.00 0.00 O ATOM 789 OD2 ASP A 52 0.724 9.231 -2.460 1.00 0.00 O ATOM 0 H ASP A 52 0.232 6.430 -3.919 1.00 0.00 H new ATOM 0 HA ASP A 52 2.088 7.369 -6.083 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.336 9.370 -4.348 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.072 9.395 -5.560 1.00 0.00 H new ATOM 794 N ALA A 53 4.071 6.888 -4.584 1.00 0.00 N ATOM 795 CA ALA A 53 5.190 6.388 -3.739 1.00 0.00 C ATOM 796 C ALA A 53 6.476 7.097 -4.161 1.00 0.00 C ATOM 797 O ALA A 53 6.634 7.468 -5.307 1.00 0.00 O ATOM 798 CB ALA A 53 5.334 4.879 -3.933 1.00 0.00 C ATOM 0 H ALA A 53 4.341 7.216 -5.511 1.00 0.00 H new ATOM 0 HA ALA A 53 4.990 6.591 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.153 4.509 -3.316 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.407 4.385 -3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.545 4.665 -4.981 1.00 0.00 H new ATOM 804 N LYS A 54 7.394 7.314 -3.256 1.00 0.00 N ATOM 805 CA LYS A 54 8.641 8.030 -3.664 1.00 0.00 C ATOM 806 C LYS A 54 9.788 7.832 -2.665 1.00 0.00 C ATOM 807 O LYS A 54 9.637 7.257 -1.601 1.00 0.00 O ATOM 808 CB LYS A 54 8.343 9.525 -3.765 1.00 0.00 C ATOM 809 CG LYS A 54 8.638 10.011 -5.185 1.00 0.00 C ATOM 810 CD LYS A 54 9.398 11.337 -5.123 1.00 0.00 C ATOM 811 CE LYS A 54 8.648 12.314 -4.215 1.00 0.00 C ATOM 812 NZ LYS A 54 8.669 13.674 -4.824 1.00 0.00 N ATOM 0 H LYS A 54 7.340 7.035 -2.276 1.00 0.00 H new ATOM 0 HA LYS A 54 8.955 7.616 -4.622 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.300 9.716 -3.514 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.950 10.077 -3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.227 9.267 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.707 10.139 -5.738 1.00 0.00 H new ATOM 0 HD2 LYS A 54 10.407 11.173 -4.744 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.498 11.758 -6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.619 11.982 -4.076 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.111 12.338 -3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.159 14.338 -4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.654 13.990 -4.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.209 13.644 -5.756 1.00 0.00 H new ATOM 826 N SER A 55 10.936 8.352 -3.023 1.00 0.00 N ATOM 827 CA SER A 55 12.144 8.271 -2.153 1.00 0.00 C ATOM 828 C SER A 55 12.184 6.951 -1.383 1.00 0.00 C ATOM 829 O SER A 55 12.642 5.944 -1.884 1.00 0.00 O ATOM 830 CB SER A 55 12.136 9.440 -1.168 1.00 0.00 C ATOM 831 OG SER A 55 13.037 9.163 -0.103 1.00 0.00 O ATOM 0 H SER A 55 11.087 8.841 -3.905 1.00 0.00 H new ATOM 0 HA SER A 55 13.030 8.321 -2.786 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.426 10.360 -1.675 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.130 9.595 -0.778 1.00 0.00 H new ATOM 0 HG SER A 55 13.036 9.911 0.530 1.00 0.00 H new ATOM 837 N SER A 56 11.732 6.951 -0.161 1.00 0.00 N ATOM 838 CA SER A 56 11.773 5.700 0.643 1.00 0.00 C ATOM 839 C SER A 56 10.442 5.501 1.360 1.00 0.00 C ATOM 840 O SER A 56 10.274 4.577 2.119 1.00 0.00 O ATOM 841 CB SER A 56 12.890 5.808 1.679 1.00 0.00 C ATOM 842 OG SER A 56 14.148 5.756 1.021 1.00 0.00 O ATOM 0 H SER A 56 11.337 7.762 0.315 1.00 0.00 H new ATOM 0 HA SER A 56 11.956 4.852 -0.017 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.796 6.740 2.236 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.811 4.996 2.402 1.00 0.00 H new ATOM 0 HG SER A 56 14.206 4.934 0.491 1.00 0.00 H new ATOM 848 N THR A 57 9.495 6.357 1.122 1.00 0.00 N ATOM 849 CA THR A 57 8.173 6.208 1.792 1.00 0.00 C ATOM 850 C THR A 57 7.103 6.172 0.711 1.00 0.00 C ATOM 851 O THR A 57 7.411 6.108 -0.460 1.00 0.00 O ATOM 852 CB THR A 57 7.928 7.413 2.704 1.00 0.00 C ATOM 853 OG1 THR A 57 6.785 7.185 3.515 1.00 0.00 O ATOM 854 CG2 THR A 57 7.693 8.644 1.840 1.00 0.00 C ATOM 0 H THR A 57 9.576 7.155 0.492 1.00 0.00 H new ATOM 0 HA THR A 57 8.147 5.296 2.388 1.00 0.00 H new ATOM 0 HB THR A 57 8.795 7.564 3.347 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.522 8.022 3.953 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.517 9.509 2.479 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.570 8.825 1.218 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.824 8.481 1.203 1.00 0.00 H new ATOM 862 N THR A 58 5.856 6.240 1.074 1.00 0.00 N ATOM 863 CA THR A 58 4.812 6.236 0.023 1.00 0.00 C ATOM 864 C THR A 58 3.415 6.230 0.632 1.00 0.00 C ATOM 865 O THR A 58 3.198 5.781 1.737 1.00 0.00 O ATOM 866 CB THR A 58 4.950 4.988 -0.848 1.00 0.00 C ATOM 867 OG1 THR A 58 3.929 5.000 -1.832 1.00 0.00 O ATOM 868 CG2 THR A 58 4.792 3.739 0.017 1.00 0.00 C ATOM 0 H THR A 58 5.520 6.297 2.035 1.00 0.00 H new ATOM 0 HA THR A 58 4.946 7.139 -0.572 1.00 0.00 H new ATOM 0 HB THR A 58 5.931 4.980 -1.323 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.645 5.923 -1.997 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.891 2.850 -0.606 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.563 3.730 0.787 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.809 3.745 0.488 1.00 0.00 H new ATOM 876 N SER A 59 2.465 6.694 -0.124 1.00 0.00 N ATOM 877 CA SER A 59 1.055 6.700 0.334 1.00 0.00 C ATOM 878 C SER A 59 0.186 6.513 -0.897 1.00 0.00 C ATOM 879 O SER A 59 0.568 6.871 -1.994 1.00 0.00 O ATOM 880 CB SER A 59 0.726 8.026 1.021 1.00 0.00 C ATOM 881 OG SER A 59 1.347 9.089 0.310 1.00 0.00 O ATOM 0 H SER A 59 2.611 7.077 -1.058 1.00 0.00 H new ATOM 0 HA SER A 59 0.879 5.903 1.056 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.353 8.175 1.052 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.075 8.011 2.053 1.00 0.00 H new ATOM 0 HG SER A 59 1.063 9.065 -0.628 1.00 0.00 H new ATOM 887 N ILE A 60 -0.960 5.931 -0.754 1.00 0.00 N ATOM 888 CA ILE A 60 -1.784 5.715 -1.961 1.00 0.00 C ATOM 889 C ILE A 60 -3.214 6.198 -1.725 1.00 0.00 C ATOM 890 O ILE A 60 -3.590 6.556 -0.626 1.00 0.00 O ATOM 891 CB ILE A 60 -1.682 4.239 -2.351 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.487 3.359 -1.398 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.205 3.833 -2.259 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.390 1.903 -1.860 1.00 0.00 C ATOM 0 H ILE A 60 -1.357 5.601 0.126 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.418 6.304 -2.802 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.077 4.106 -3.358 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.105 3.457 -0.382 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.529 3.679 -1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.099 2.783 -2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.384 4.446 -2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.150 3.981 -1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.963 1.268 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.792 1.814 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.346 1.589 -1.856 1.00 0.00 H new ATOM 906 N PHE A 61 -3.978 6.317 -2.777 1.00 0.00 N ATOM 907 CA PHE A 61 -5.339 6.903 -2.642 1.00 0.00 C ATOM 908 C PHE A 61 -6.480 5.928 -2.943 1.00 0.00 C ATOM 909 O PHE A 61 -6.335 4.969 -3.672 1.00 0.00 O ATOM 910 CB PHE A 61 -5.410 8.054 -3.635 1.00 0.00 C ATOM 911 CG PHE A 61 -5.177 9.336 -2.902 1.00 0.00 C ATOM 912 CD1 PHE A 61 -3.967 9.536 -2.239 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.165 10.317 -2.881 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.738 10.723 -1.549 1.00 0.00 C ATOM 915 CE2 PHE A 61 -5.945 11.510 -2.193 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.728 11.717 -1.523 1.00 0.00 C ATOM 0 H PHE A 61 -3.718 6.034 -3.722 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.474 7.206 -1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.662 7.925 -4.417 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.384 8.071 -4.125 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.207 8.769 -2.261 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.100 10.154 -3.397 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.801 10.878 -1.035 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.709 12.273 -2.175 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.555 12.639 -0.989 1.00 0.00 H new ATOM 926 N PHE A 62 -7.638 6.231 -2.396 1.00 0.00 N ATOM 927 CA PHE A 62 -8.861 5.408 -2.633 1.00 0.00 C ATOM 928 C PHE A 62 -10.075 6.346 -2.718 1.00 0.00 C ATOM 929 O PHE A 62 -11.069 6.095 -2.069 1.00 0.00 O ATOM 930 CB PHE A 62 -9.147 4.462 -1.463 1.00 0.00 C ATOM 931 CG PHE A 62 -7.957 3.616 -1.086 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.743 4.207 -0.719 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.089 2.222 -1.076 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.661 3.403 -0.347 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.007 1.419 -0.707 1.00 0.00 C ATOM 936 CZ PHE A 62 -5.792 2.008 -0.342 1.00 0.00 C ATOM 0 H PHE A 62 -7.784 7.033 -1.783 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.695 4.836 -3.546 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.459 5.047 -0.598 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -9.981 3.811 -1.725 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.642 5.282 -0.723 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.028 1.767 -1.354 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.723 3.858 -0.063 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.109 0.344 -0.704 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.955 1.388 -0.056 1.00 0.00 H new ATOM 946 N PRO A 63 -9.970 7.393 -3.496 1.00 0.00 N ATOM 947 CA PRO A 63 -11.066 8.372 -3.657 1.00 0.00 C ATOM 948 C PRO A 63 -12.263 7.715 -4.333 1.00 0.00 C ATOM 949 O PRO A 63 -13.360 8.236 -4.337 1.00 0.00 O ATOM 950 CB PRO A 63 -10.445 9.473 -4.521 1.00 0.00 C ATOM 951 CG PRO A 63 -9.243 8.820 -5.230 1.00 0.00 C ATOM 952 CD PRO A 63 -8.775 7.692 -4.297 1.00 0.00 C ATOM 0 HA PRO A 63 -11.445 8.765 -2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.165 9.856 -5.244 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.127 10.318 -3.910 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.529 8.428 -6.206 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.447 9.545 -5.399 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.439 6.820 -4.858 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -7.941 8.009 -3.671 1.00 0.00 H new ATOM 960 N SER A 64 -12.057 6.560 -4.881 1.00 0.00 N ATOM 961 CA SER A 64 -13.172 5.833 -5.537 1.00 0.00 C ATOM 962 C SER A 64 -13.287 4.444 -4.907 1.00 0.00 C ATOM 963 O SER A 64 -13.395 3.448 -5.595 1.00 0.00 O ATOM 964 CB SER A 64 -12.887 5.695 -7.033 1.00 0.00 C ATOM 965 OG SER A 64 -14.068 5.992 -7.766 1.00 0.00 O ATOM 0 H SER A 64 -11.156 6.082 -4.904 1.00 0.00 H new ATOM 0 HA SER A 64 -14.104 6.382 -5.403 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.084 6.371 -7.326 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.550 4.683 -7.259 1.00 0.00 H new ATOM 0 HG SER A 64 -13.888 5.906 -8.725 1.00 0.00 H new ATOM 971 N ALA A 65 -13.254 4.362 -3.599 1.00 0.00 N ATOM 972 CA ALA A 65 -13.352 3.030 -2.945 1.00 0.00 C ATOM 973 C ALA A 65 -14.809 2.597 -2.866 1.00 0.00 C ATOM 974 O ALA A 65 -15.692 3.388 -2.585 1.00 0.00 O ATOM 975 CB ALA A 65 -12.779 3.089 -1.533 1.00 0.00 C ATOM 0 H ALA A 65 -13.164 5.156 -2.965 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.784 2.314 -3.538 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -12.858 2.107 -1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.731 3.387 -1.578 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.338 3.816 -0.944 1.00 0.00 H new ATOM 981 N LYS A 66 -15.050 1.338 -3.101 1.00 0.00 N ATOM 982 CA LYS A 66 -16.438 0.802 -3.045 1.00 0.00 C ATOM 983 C LYS A 66 -16.414 -0.582 -2.393 1.00 0.00 C ATOM 984 O LYS A 66 -15.366 -1.119 -2.101 1.00 0.00 O ATOM 985 CB LYS A 66 -16.997 0.687 -4.465 1.00 0.00 C ATOM 986 CG LYS A 66 -18.520 0.830 -4.427 1.00 0.00 C ATOM 987 CD LYS A 66 -19.037 1.153 -5.831 1.00 0.00 C ATOM 988 CE LYS A 66 -20.553 0.948 -5.876 1.00 0.00 C ATOM 989 NZ LYS A 66 -21.038 1.140 -7.272 1.00 0.00 N ATOM 0 H LYS A 66 -14.335 0.649 -3.333 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.069 1.473 -2.461 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.564 1.459 -5.101 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -16.722 -0.274 -4.899 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -18.974 -0.092 -4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -18.805 1.620 -3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -18.790 2.182 -6.093 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -18.551 0.512 -6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -20.806 -0.053 -5.526 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -21.046 1.654 -5.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -22.068 1.001 -7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -20.809 2.103 -7.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.576 0.450 -7.898 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.556 -1.164 -2.159 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.585 -2.511 -1.523 1.00 0.00 C ATOM 1005 C ARG A 67 -16.530 -3.413 -2.175 1.00 0.00 C ATOM 1006 O ARG A 67 -15.776 -4.089 -1.503 1.00 0.00 O ATOM 1007 CB ARG A 67 -18.973 -3.137 -1.698 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.615 -2.624 -2.989 1.00 0.00 C ATOM 1009 CD ARG A 67 -20.452 -3.738 -3.621 1.00 0.00 C ATOM 1010 NE ARG A 67 -21.408 -4.274 -2.612 1.00 0.00 N ATOM 1011 CZ ARG A 67 -22.408 -5.021 -2.993 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -22.202 -6.267 -3.323 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -23.613 -4.523 -3.043 1.00 0.00 N ATOM 0 H ARG A 67 -18.469 -0.767 -2.380 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.367 -2.409 -0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -18.891 -4.223 -1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.604 -2.889 -0.844 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -20.243 -1.759 -2.776 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.844 -2.295 -3.685 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -20.995 -3.354 -4.484 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -19.802 -4.535 -3.982 1.00 0.00 H new ATOM 0 HE ARG A 67 -21.281 -4.057 -1.623 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -21.260 -6.656 -3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -22.983 -6.852 -3.621 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -23.774 -3.550 -2.784 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -24.394 -5.107 -3.341 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.478 -3.434 -3.479 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.487 -4.294 -4.178 1.00 0.00 C ATOM 1029 C ALA A 68 -14.063 -3.932 -3.743 1.00 0.00 C ATOM 1030 O ALA A 68 -13.225 -4.792 -3.558 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.618 -4.094 -5.688 1.00 0.00 C ATOM 0 H ALA A 68 -17.084 -2.888 -4.092 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.682 -5.335 -3.921 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.892 -4.724 -6.203 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.625 -4.367 -6.005 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.431 -3.049 -5.934 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.776 -2.668 -3.590 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.401 -2.261 -3.180 1.00 0.00 C ATOM 1039 C ASP A 69 -11.921 -3.141 -2.024 1.00 0.00 C ATOM 1040 O ASP A 69 -10.737 -3.309 -1.814 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.405 -0.797 -2.737 1.00 0.00 C ATOM 1042 CG ASP A 69 -12.112 0.101 -3.940 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -12.914 0.107 -4.859 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -11.090 0.766 -3.922 1.00 0.00 O ATOM 0 H ASP A 69 -14.433 -1.900 -3.731 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.728 -2.381 -4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.372 -0.540 -2.305 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.656 -0.639 -1.961 1.00 0.00 H new ATOM 1049 N SER A 70 -12.827 -3.703 -1.271 1.00 0.00 N ATOM 1050 CA SER A 70 -12.409 -4.569 -0.131 1.00 0.00 C ATOM 1051 C SER A 70 -11.378 -5.589 -0.620 1.00 0.00 C ATOM 1052 O SER A 70 -11.723 -6.658 -1.083 1.00 0.00 O ATOM 1053 CB SER A 70 -13.629 -5.305 0.426 1.00 0.00 C ATOM 1054 OG SER A 70 -14.693 -4.380 0.610 1.00 0.00 O ATOM 0 H SER A 70 -13.834 -3.601 -1.395 1.00 0.00 H new ATOM 0 HA SER A 70 -11.969 -3.952 0.652 1.00 0.00 H new ATOM 0 HB2 SER A 70 -13.934 -6.096 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.379 -5.782 1.374 1.00 0.00 H new ATOM 0 HG SER A 70 -15.370 -4.517 -0.086 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.115 -5.269 -0.525 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.072 -6.225 -0.991 1.00 0.00 C ATOM 1062 C GLY A 71 -7.885 -6.224 -0.022 1.00 0.00 C ATOM 1063 O GLY A 71 -7.843 -5.470 0.935 1.00 0.00 O ATOM 0 H GLY A 71 -9.762 -4.390 -0.146 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.493 -7.228 -1.062 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.736 -5.949 -1.990 1.00 0.00 H new ATOM 1067 N ASN A 72 -6.917 -7.064 -0.271 1.00 0.00 N ATOM 1068 CA ASN A 72 -5.727 -7.120 0.622 1.00 0.00 C ATOM 1069 C ASN A 72 -4.602 -6.289 0.009 1.00 0.00 C ATOM 1070 O ASN A 72 -3.794 -6.783 -0.750 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.270 -8.573 0.770 1.00 0.00 C ATOM 1072 CG ASN A 72 -3.887 -8.610 1.422 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -3.792 -8.785 2.712 1.00 0.00 O flip ATOM 1074 ND2 ASN A 72 -2.882 -8.479 0.752 1.00 0.00 N flip ATOM 0 H ASN A 72 -6.900 -7.715 -1.056 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.983 -6.721 1.603 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.984 -9.130 1.376 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -5.236 -9.056 -0.207 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -2.955 -8.342 -0.256 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -1.965 -8.506 1.198 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.546 -5.028 0.330 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.476 -4.163 -0.236 1.00 0.00 C ATOM 1083 C TYR A 73 -2.125 -4.576 0.348 1.00 0.00 C ATOM 1084 O TYR A 73 -1.661 -4.019 1.322 1.00 0.00 O ATOM 1085 CB TYR A 73 -3.764 -2.703 0.116 1.00 0.00 C ATOM 1086 CG TYR A 73 -4.839 -2.166 -0.800 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.034 -2.875 -0.971 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -4.640 -0.957 -1.478 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.029 -2.377 -1.820 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -5.635 -0.459 -2.327 1.00 0.00 C ATOM 1091 CZ TYR A 73 -6.830 -1.168 -2.498 1.00 0.00 C ATOM 1092 OH TYR A 73 -7.810 -0.677 -3.335 1.00 0.00 O ATOM 0 H TYR A 73 -5.196 -4.558 0.961 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.450 -4.276 -1.320 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.084 -2.625 1.155 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.856 -2.108 0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.188 -3.807 -0.447 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -3.719 -0.409 -1.346 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -7.950 -2.925 -1.952 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.481 0.473 -2.851 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.320 0.018 -2.869 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.483 -5.540 -0.249 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.156 -5.977 0.263 1.00 0.00 C ATOM 1104 C LYS A 74 0.926 -5.142 -0.416 1.00 0.00 C ATOM 1105 O LYS A 74 1.064 -5.152 -1.624 1.00 0.00 O ATOM 1106 CB LYS A 74 0.061 -7.457 -0.056 1.00 0.00 C ATOM 1107 CG LYS A 74 1.145 -8.021 0.864 1.00 0.00 C ATOM 1108 CD LYS A 74 1.790 -9.242 0.205 1.00 0.00 C ATOM 1109 CE LYS A 74 2.979 -8.794 -0.647 1.00 0.00 C ATOM 1110 NZ LYS A 74 2.496 -8.373 -1.993 1.00 0.00 N ATOM 0 H LYS A 74 -1.820 -6.044 -1.069 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.112 -5.840 1.343 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.869 -8.009 0.078 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.355 -7.576 -1.099 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.900 -7.260 1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 74 0.713 -8.299 1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.121 -9.948 0.967 1.00 0.00 H new ATOM 0 HD3 LYS A 74 1.060 -9.762 -0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.498 -7.968 -0.160 1.00 0.00 H new ATOM 0 HE3 LYS A 74 3.697 -9.608 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.223 -8.586 -2.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.623 -8.888 -2.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.304 -7.351 -1.989 1.00 0.00 H new ATOM 1124 N LEU A 75 1.685 -4.406 0.343 1.00 0.00 N ATOM 1125 CA LEU A 75 2.744 -3.562 -0.274 1.00 0.00 C ATOM 1126 C LEU A 75 4.116 -4.192 -0.027 1.00 0.00 C ATOM 1127 O LEU A 75 4.434 -4.608 1.069 1.00 0.00 O ATOM 1128 CB LEU A 75 2.688 -2.163 0.344 1.00 0.00 C ATOM 1129 CG LEU A 75 3.969 -1.397 0.016 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.618 -0.130 -0.753 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.676 -1.018 1.317 1.00 0.00 C ATOM 0 H LEU A 75 1.619 -4.352 1.359 1.00 0.00 H new ATOM 0 HA LEU A 75 2.581 -3.491 -1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.822 -1.622 -0.038 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.566 -2.238 1.424 1.00 0.00 H new ATOM 0 HG LEU A 75 4.624 -2.022 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.531 0.418 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.106 -0.396 -1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.966 0.496 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.591 -0.471 1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.019 -0.390 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.923 -1.922 1.873 1.00 0.00 H new ATOM 1143 N LYS A 76 4.933 -4.259 -1.043 1.00 0.00 N ATOM 1144 CA LYS A 76 6.290 -4.855 -0.874 1.00 0.00 C ATOM 1145 C LYS A 76 7.333 -3.900 -1.457 1.00 0.00 C ATOM 1146 O LYS A 76 7.405 -3.705 -2.653 1.00 0.00 O ATOM 1147 CB LYS A 76 6.355 -6.194 -1.613 1.00 0.00 C ATOM 1148 CG LYS A 76 7.240 -7.166 -0.832 1.00 0.00 C ATOM 1149 CD LYS A 76 7.957 -8.103 -1.806 1.00 0.00 C ATOM 1150 CE LYS A 76 9.269 -8.581 -1.181 1.00 0.00 C ATOM 1151 NZ LYS A 76 9.965 -9.498 -2.127 1.00 0.00 N ATOM 0 H LYS A 76 4.720 -3.927 -1.983 1.00 0.00 H new ATOM 0 HA LYS A 76 6.491 -5.017 0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.353 -6.608 -1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.754 -6.048 -2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 76 7.969 -6.614 -0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.635 -7.744 -0.134 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.321 -8.957 -2.041 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.156 -7.586 -2.745 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.906 -7.727 -0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.070 -9.094 -0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.994 -9.377 -2.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.711 -10.482 -1.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.676 -9.276 -3.101 1.00 0.00 H new ATOM 1165 N VAL A 77 8.142 -3.299 -0.627 1.00 0.00 N ATOM 1166 CA VAL A 77 9.169 -2.356 -1.154 1.00 0.00 C ATOM 1167 C VAL A 77 10.555 -2.985 -1.028 1.00 0.00 C ATOM 1168 O VAL A 77 11.004 -3.323 0.047 1.00 0.00 O ATOM 1169 CB VAL A 77 9.105 -1.036 -0.379 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.642 -0.651 -0.174 1.00 0.00 C ATOM 1171 CG2 VAL A 77 9.778 -1.185 0.986 1.00 0.00 C ATOM 0 H VAL A 77 8.137 -3.419 0.386 1.00 0.00 H new ATOM 0 HA VAL A 77 8.972 -2.152 -2.206 1.00 0.00 H new ATOM 0 HB VAL A 77 9.625 -0.265 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.587 0.288 0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.158 -0.532 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.136 -1.434 0.391 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.724 -0.238 1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.268 -1.958 1.561 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.822 -1.465 0.848 1.00 0.00 H new ATOM 1181 N LYS A 78 11.230 -3.154 -2.131 1.00 0.00 N ATOM 1182 CA LYS A 78 12.586 -3.779 -2.092 1.00 0.00 C ATOM 1183 C LYS A 78 13.660 -2.726 -2.367 1.00 0.00 C ATOM 1184 O LYS A 78 13.370 -1.561 -2.543 1.00 0.00 O ATOM 1185 CB LYS A 78 12.671 -4.879 -3.154 1.00 0.00 C ATOM 1186 CG LYS A 78 11.812 -4.496 -4.361 1.00 0.00 C ATOM 1187 CD LYS A 78 11.945 -5.567 -5.445 1.00 0.00 C ATOM 1188 CE LYS A 78 10.706 -5.544 -6.340 1.00 0.00 C ATOM 1189 NZ LYS A 78 10.000 -6.853 -6.246 1.00 0.00 N ATOM 0 H LYS A 78 10.903 -2.887 -3.059 1.00 0.00 H new ATOM 0 HA LYS A 78 12.751 -4.207 -1.103 1.00 0.00 H new ATOM 0 HB2 LYS A 78 13.707 -5.021 -3.463 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.329 -5.827 -2.738 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.769 -4.395 -4.061 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.126 -3.528 -4.751 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.840 -5.387 -6.041 1.00 0.00 H new ATOM 0 HD3 LYS A 78 12.058 -6.550 -4.988 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.040 -4.737 -6.036 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.994 -5.348 -7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.157 -6.837 -6.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.637 -7.614 -6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.712 -7.022 -5.261 1.00 0.00 H new ATOM 1203 N ASN A 79 14.905 -3.128 -2.403 1.00 0.00 N ATOM 1204 CA ASN A 79 15.996 -2.147 -2.669 1.00 0.00 C ATOM 1205 C ASN A 79 17.336 -2.879 -2.801 1.00 0.00 C ATOM 1206 O ASN A 79 17.854 -3.421 -1.848 1.00 0.00 O ATOM 1207 CB ASN A 79 16.077 -1.146 -1.515 1.00 0.00 C ATOM 1208 CG ASN A 79 17.373 -0.340 -1.626 1.00 0.00 C ATOM 1209 OD1 ASN A 79 17.374 0.763 -2.136 1.00 0.00 O ATOM 1210 ND2 ASN A 79 18.484 -0.849 -1.169 1.00 0.00 N ATOM 0 H ASN A 79 15.211 -4.090 -2.260 1.00 0.00 H new ATOM 0 HA ASN A 79 15.781 -1.619 -3.598 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.217 -0.477 -1.540 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.044 -1.672 -0.561 1.00 0.00 H new ATOM 0 HD21 ASN A 79 19.354 -0.321 -1.240 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.483 -1.775 -0.741 1.00 0.00 H new ATOM 1217 N GLU A 80 17.903 -2.885 -3.976 1.00 0.00 N ATOM 1218 CA GLU A 80 19.215 -3.567 -4.177 1.00 0.00 C ATOM 1219 C GLU A 80 19.119 -5.039 -3.735 1.00 0.00 C ATOM 1220 O GLU A 80 18.826 -5.904 -4.535 1.00 0.00 O ATOM 1221 CB GLU A 80 20.300 -2.823 -3.387 1.00 0.00 C ATOM 1222 CG GLU A 80 21.638 -2.941 -4.121 1.00 0.00 C ATOM 1223 CD GLU A 80 22.536 -1.762 -3.741 1.00 0.00 C ATOM 1224 OE1 GLU A 80 23.066 -1.776 -2.642 1.00 0.00 O ATOM 1225 OE2 GLU A 80 22.679 -0.865 -4.556 1.00 0.00 O ATOM 0 H GLU A 80 17.513 -2.445 -4.810 1.00 0.00 H new ATOM 0 HA GLU A 80 19.480 -3.551 -5.234 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.027 -1.774 -3.273 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.385 -3.241 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 80 22.125 -3.881 -3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 80 21.474 -2.954 -5.198 1.00 0.00 H new ATOM 1232 N LEU A 81 19.353 -5.345 -2.481 1.00 0.00 N ATOM 1233 CA LEU A 81 19.256 -6.772 -2.047 1.00 0.00 C ATOM 1234 C LEU A 81 18.393 -6.887 -0.788 1.00 0.00 C ATOM 1235 O LEU A 81 18.036 -7.969 -0.366 1.00 0.00 O ATOM 1236 CB LEU A 81 20.654 -7.356 -1.779 1.00 0.00 C ATOM 1237 CG LEU A 81 21.536 -6.366 -1.004 1.00 0.00 C ATOM 1238 CD1 LEU A 81 21.948 -5.211 -1.917 1.00 0.00 C ATOM 1239 CD2 LEU A 81 20.777 -5.818 0.207 1.00 0.00 C ATOM 0 H LEU A 81 19.603 -4.679 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 81 18.790 -7.341 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 81 20.560 -8.283 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.132 -7.608 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 81 22.428 -6.888 -0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.573 -4.513 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 81 22.507 -5.601 -2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 81 21.057 -4.695 -2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 81 21.413 -5.117 0.748 1.00 0.00 H new ATOM 0 HD22 LEU A 81 19.876 -5.305 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 81 20.501 -6.641 0.866 1.00 0.00 H new ATOM 1251 N GLY A 82 18.041 -5.784 -0.192 1.00 0.00 N ATOM 1252 CA GLY A 82 17.189 -5.833 1.028 1.00 0.00 C ATOM 1253 C GLY A 82 15.746 -5.539 0.624 1.00 0.00 C ATOM 1254 O GLY A 82 15.489 -5.013 -0.442 1.00 0.00 O ATOM 0 H GLY A 82 18.307 -4.848 -0.497 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.258 -6.814 1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.534 -5.103 1.760 1.00 0.00 H new ATOM 1258 N GLU A 83 14.796 -5.874 1.452 1.00 0.00 N ATOM 1259 CA GLU A 83 13.383 -5.604 1.077 1.00 0.00 C ATOM 1260 C GLU A 83 12.505 -5.496 2.322 1.00 0.00 C ATOM 1261 O GLU A 83 12.941 -5.716 3.434 1.00 0.00 O ATOM 1262 CB GLU A 83 12.867 -6.737 0.189 1.00 0.00 C ATOM 1263 CG GLU A 83 13.403 -8.074 0.705 1.00 0.00 C ATOM 1264 CD GLU A 83 13.137 -9.166 -0.333 1.00 0.00 C ATOM 1265 OE1 GLU A 83 12.933 -8.823 -1.486 1.00 0.00 O ATOM 1266 OE2 GLU A 83 13.141 -10.327 0.043 1.00 0.00 O ATOM 0 H GLU A 83 14.935 -6.317 2.360 1.00 0.00 H new ATOM 0 HA GLU A 83 13.341 -4.658 0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.777 -6.746 0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 83 13.185 -6.579 -0.842 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.472 -7.997 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.923 -8.330 1.649 1.00 0.00 H new ATOM 1273 N ASP A 84 11.262 -5.158 2.126 1.00 0.00 N ATOM 1274 CA ASP A 84 10.316 -5.025 3.263 1.00 0.00 C ATOM 1275 C ASP A 84 8.892 -5.119 2.713 1.00 0.00 C ATOM 1276 O ASP A 84 8.682 -5.078 1.515 1.00 0.00 O ATOM 1277 CB ASP A 84 10.523 -3.672 3.943 1.00 0.00 C ATOM 1278 CG ASP A 84 11.324 -3.865 5.232 1.00 0.00 C ATOM 1279 OD1 ASP A 84 12.535 -3.988 5.140 1.00 0.00 O ATOM 1280 OD2 ASP A 84 10.715 -3.888 6.288 1.00 0.00 O ATOM 0 H ASP A 84 10.857 -4.966 1.210 1.00 0.00 H new ATOM 0 HA ASP A 84 10.487 -5.815 3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.051 -2.993 3.273 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.559 -3.214 4.166 1.00 0.00 H new ATOM 1285 N GLU A 85 7.911 -5.249 3.559 1.00 0.00 N ATOM 1286 CA GLU A 85 6.518 -5.355 3.045 1.00 0.00 C ATOM 1287 C GLU A 85 5.521 -5.215 4.194 1.00 0.00 C ATOM 1288 O GLU A 85 5.722 -5.730 5.276 1.00 0.00 O ATOM 1289 CB GLU A 85 6.337 -6.722 2.376 1.00 0.00 C ATOM 1290 CG GLU A 85 4.850 -6.993 2.131 1.00 0.00 C ATOM 1291 CD GLU A 85 4.429 -8.248 2.897 1.00 0.00 C ATOM 1292 OE1 GLU A 85 5.169 -9.217 2.860 1.00 0.00 O ATOM 1293 OE2 GLU A 85 3.373 -8.220 3.507 1.00 0.00 O ATOM 0 H GLU A 85 8.010 -5.286 4.573 1.00 0.00 H new ATOM 0 HA GLU A 85 6.338 -4.559 2.323 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.880 -6.748 1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.758 -7.504 3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.255 -6.139 2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 85 4.664 -7.125 1.065 1.00 0.00 H new ATOM 1300 N ALA A 86 4.438 -4.532 3.954 1.00 0.00 N ATOM 1301 CA ALA A 86 3.409 -4.363 5.012 1.00 0.00 C ATOM 1302 C ALA A 86 2.071 -4.882 4.481 1.00 0.00 C ATOM 1303 O ALA A 86 1.663 -4.565 3.378 1.00 0.00 O ATOM 1304 CB ALA A 86 3.283 -2.882 5.376 1.00 0.00 C ATOM 0 H ALA A 86 4.222 -4.082 3.065 1.00 0.00 H new ATOM 0 HA ALA A 86 3.695 -4.922 5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.527 -2.761 6.152 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.242 -2.515 5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.990 -2.314 4.493 1.00 0.00 H new ATOM 1310 N ILE A 87 1.391 -5.688 5.247 1.00 0.00 N ATOM 1311 CA ILE A 87 0.087 -6.234 4.781 1.00 0.00 C ATOM 1312 C ILE A 87 -1.032 -5.244 5.115 1.00 0.00 C ATOM 1313 O ILE A 87 -1.389 -5.055 6.261 1.00 0.00 O ATOM 1314 CB ILE A 87 -0.175 -7.576 5.475 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.362 -8.281 4.808 1.00 0.00 C ATOM 1316 CG2 ILE A 87 -0.478 -7.343 6.956 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -2.659 -7.524 5.106 1.00 0.00 C ATOM 0 H ILE A 87 1.682 -5.992 6.176 1.00 0.00 H new ATOM 0 HA ILE A 87 0.115 -6.386 3.702 1.00 0.00 H new ATOM 0 HB ILE A 87 0.711 -8.204 5.386 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.204 -8.337 3.731 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.438 -9.306 5.172 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.663 -8.300 7.444 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.373 -6.853 7.429 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.360 -6.710 7.052 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -3.496 -8.033 4.628 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.822 -7.492 6.183 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.584 -6.508 4.720 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.594 -4.613 4.120 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.692 -3.642 4.382 1.00 0.00 C ATOM 1331 C PHE A 88 -4.023 -4.264 3.961 1.00 0.00 C ATOM 1332 O PHE A 88 -4.409 -4.200 2.812 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.463 -2.361 3.574 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.072 -1.832 3.828 1.00 0.00 C ATOM 1335 CD1 PHE A 88 0.042 -2.519 3.331 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.897 -0.649 4.557 1.00 0.00 C ATOM 1337 CE1 PHE A 88 1.330 -2.023 3.565 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.391 -0.155 4.790 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.504 -0.843 4.294 1.00 0.00 C ATOM 0 H PHE A 88 -1.340 -4.728 3.139 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.709 -3.400 5.445 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.596 -2.563 2.511 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.203 -1.610 3.850 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.092 -3.431 2.768 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.756 -0.118 4.939 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.190 -2.552 3.182 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.526 0.757 5.352 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.498 -0.462 4.475 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.739 -4.852 4.878 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.048 -5.458 4.509 1.00 0.00 C ATOM 1351 C GLU A 89 -7.075 -4.336 4.413 1.00 0.00 C ATOM 1352 O GLU A 89 -7.573 -3.857 5.409 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.475 -6.458 5.585 1.00 0.00 C ATOM 1354 CG GLU A 89 -7.259 -7.603 4.939 1.00 0.00 C ATOM 1355 CD GLU A 89 -6.837 -8.931 5.571 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -5.645 -9.188 5.621 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -7.713 -9.668 5.993 1.00 0.00 O ATOM 0 H GLU A 89 -4.477 -4.939 5.860 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.969 -5.983 3.557 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.598 -6.850 6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.090 -5.960 6.335 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.329 -7.447 5.075 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -7.074 -7.624 3.865 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.382 -3.892 3.225 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.356 -2.776 3.090 1.00 0.00 C ATOM 1366 C VAL A 90 -9.753 -3.326 2.816 1.00 0.00 C ATOM 1367 O VAL A 90 -9.973 -4.055 1.871 1.00 0.00 O ATOM 1368 CB VAL A 90 -7.923 -1.862 1.941 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -8.585 -0.491 2.100 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.402 -1.699 1.973 1.00 0.00 C ATOM 0 H VAL A 90 -7.003 -4.251 2.349 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.381 -2.207 4.020 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.226 -2.302 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.276 0.159 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.669 -0.606 2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.282 -0.049 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.089 -1.049 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.103 -1.257 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -5.929 -2.675 1.862 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.701 -2.971 3.637 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.088 -3.459 3.426 1.00 0.00 C ATOM 1382 C ILE A 91 -13.009 -2.263 3.195 1.00 0.00 C ATOM 1383 O ILE A 91 -12.652 -1.128 3.458 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.566 -4.232 4.652 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -11.813 -5.561 4.744 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.064 -4.501 4.512 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -11.774 -6.027 6.201 1.00 0.00 C ATOM 0 H ILE A 91 -10.573 -2.363 4.446 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.107 -4.120 2.559 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.377 -3.651 5.554 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -12.303 -6.312 4.124 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -10.799 -5.444 4.362 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.417 -5.053 5.383 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.599 -3.554 4.441 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.246 -5.088 3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.238 -6.974 6.266 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.265 -5.279 6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -12.792 -6.161 6.568 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.188 -2.506 2.697 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.126 -1.386 2.434 1.00 0.00 C ATOM 1401 C VAL A 92 -16.490 -1.692 3.055 1.00 0.00 C ATOM 1402 O VAL A 92 -16.910 -2.829 3.124 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.270 -1.212 0.925 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -15.956 0.120 0.622 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -13.879 -1.230 0.289 1.00 0.00 C ATOM 0 H VAL A 92 -14.541 -3.433 2.461 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.739 -0.468 2.877 1.00 0.00 H new ATOM 0 HB VAL A 92 -15.874 -2.023 0.517 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.057 0.240 -0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -16.944 0.134 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.357 0.937 1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -13.971 -1.106 -0.790 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.281 -0.415 0.698 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.392 -2.181 0.505 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.183 -0.683 3.508 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.520 -0.916 4.125 1.00 0.00 C ATOM 1417 C GLN A 93 -19.533 0.065 3.533 1.00 0.00 C ATOM 1418 O GLN A 93 -20.694 -0.299 3.438 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.427 -0.704 5.638 1.00 0.00 C ATOM 1420 CG GLN A 93 -19.376 -1.672 6.348 1.00 0.00 C ATOM 1421 CD GLN A 93 -20.116 -0.934 7.465 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -21.199 -0.423 7.258 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -19.575 -0.857 8.650 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.131 1.162 3.186 1.00 0.00 O ATOM 0 H GLN A 93 -16.882 0.291 3.478 1.00 0.00 H new ATOM 0 HA GLN A 93 -18.842 -1.937 3.920 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -17.404 -0.867 5.977 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -18.686 0.325 5.888 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -20.090 -2.086 5.636 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -18.815 -2.510 6.761 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -18.666 -1.286 8.824 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -20.061 -0.368 9.402 1.00 0.00 H new