USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 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 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 93 GLN :FLIP amide:sc= -0.464 F(o=-1,f=-0.46) 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 110:sc= -0.149 USER MOD Single : A 9 SER OG : rot -35:sc= 1.67! USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 28:sc= 0.753 USER MOD Single : A 20 HIS : no HD1:sc= -14.8! C(o=-15!,f=-18!) USER MOD Single : A 21 ASN : amide:sc= -1.29! C(o=-1.3!,f=-5.1!) 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 37 THR OG1 : rot 67:sc= -1.93! USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc=-0.00442 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -4:sc= -4.53! USER MOD Single : A 58 THR OG1 : rot 180:sc= -4.84! USER MOD Single : A 59 SER OG : rot 180:sc= -1.69! 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 102:sc= 0.55 USER MOD Single : A 72 ASN : amide:sc= -2.41 X(o=-2.4,f=-2.7!) USER MOD Single : A 73 TYR OH : rot 130:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -143:sc= -0.13 (180deg=-0.907) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -6.34! C(o=-6.3!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 22 N LYS A 2 19.060 0.028 2.792 1.00 0.00 N ATOM 23 CA LYS A 2 17.960 -0.966 2.940 1.00 0.00 C ATOM 24 C LYS A 2 16.656 -0.235 3.271 1.00 0.00 C ATOM 25 O LYS A 2 16.663 0.743 3.992 1.00 0.00 O ATOM 26 CB LYS A 2 18.300 -1.937 4.074 1.00 0.00 C ATOM 27 CG LYS A 2 19.391 -2.904 3.610 1.00 0.00 C ATOM 28 CD LYS A 2 20.729 -2.503 4.235 1.00 0.00 C ATOM 29 CE LYS A 2 20.645 -2.646 5.756 1.00 0.00 C ATOM 30 NZ LYS A 2 21.654 -3.641 6.219 1.00 0.00 N ATOM 0 HA LYS A 2 17.842 -1.520 2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 2 18.638 -1.384 4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.410 -2.492 4.371 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.134 -3.924 3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 2 19.467 -2.889 2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.528 -3.132 3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.973 -1.475 3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.824 -1.682 6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.644 -2.965 6.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 21.597 -3.738 7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 21.464 -4.561 5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 22.607 -3.319 5.954 1.00 0.00 H new ATOM 44 N PRO A 3 15.569 -0.742 2.745 1.00 0.00 N ATOM 45 CA PRO A 3 14.238 -0.146 2.949 1.00 0.00 C ATOM 46 C PRO A 3 13.693 -0.513 4.329 1.00 0.00 C ATOM 47 O PRO A 3 13.432 -1.662 4.620 1.00 0.00 O ATOM 48 CB PRO A 3 13.388 -0.771 1.842 1.00 0.00 C ATOM 49 CG PRO A 3 14.099 -2.083 1.436 1.00 0.00 C ATOM 50 CD PRO A 3 15.564 -1.953 1.901 1.00 0.00 C ATOM 0 HA PRO A 3 14.247 0.943 2.907 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.376 -0.970 2.195 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.302 -0.096 0.990 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.620 -2.944 1.902 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.047 -2.234 0.358 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.883 -2.831 2.462 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.243 -1.852 1.055 1.00 0.00 H new ATOM 58 N LYS A 4 13.511 0.459 5.177 1.00 0.00 N ATOM 59 CA LYS A 4 12.974 0.177 6.532 1.00 0.00 C ATOM 60 C LYS A 4 11.481 0.471 6.537 1.00 0.00 C ATOM 61 O LYS A 4 11.050 1.484 7.039 1.00 0.00 O ATOM 62 CB LYS A 4 13.676 1.070 7.558 1.00 0.00 C ATOM 63 CG LYS A 4 13.696 0.368 8.917 1.00 0.00 C ATOM 64 CD LYS A 4 15.076 -0.249 9.154 1.00 0.00 C ATOM 65 CE LYS A 4 15.523 0.034 10.590 1.00 0.00 C ATOM 66 NZ LYS A 4 16.917 0.559 10.582 1.00 0.00 N ATOM 0 H LYS A 4 13.713 1.441 4.987 1.00 0.00 H new ATOM 0 HA LYS A 4 13.148 -0.868 6.790 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.694 1.285 7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.159 2.026 7.638 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.464 1.080 9.709 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.930 -0.406 8.949 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.040 -1.324 8.978 1.00 0.00 H new ATOM 0 HD3 LYS A 4 15.797 0.165 8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 4 14.853 0.758 11.055 1.00 0.00 H new ATOM 0 HE3 LYS A 4 15.470 -0.878 11.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.221 0.751 11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 17.551 -0.146 10.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 16.954 1.439 10.028 1.00 0.00 H new ATOM 80 N ILE A 5 10.687 -0.403 5.978 1.00 0.00 N ATOM 81 CA ILE A 5 9.220 -0.161 5.960 1.00 0.00 C ATOM 82 C ILE A 5 8.682 -0.323 7.377 1.00 0.00 C ATOM 83 O ILE A 5 8.620 -1.406 7.923 1.00 0.00 O ATOM 84 CB ILE A 5 8.541 -1.130 4.982 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.187 -0.558 4.562 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.335 -2.495 5.637 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.073 -0.584 3.036 1.00 0.00 C ATOM 0 H ILE A 5 10.992 -1.270 5.535 1.00 0.00 H new ATOM 0 HA ILE A 5 9.005 0.851 5.618 1.00 0.00 H new ATOM 0 HB ILE A 5 9.180 -1.254 4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.380 -1.140 5.008 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.083 0.463 4.928 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.853 -3.169 4.929 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.300 -2.907 5.930 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.705 -2.384 6.519 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.108 -0.176 2.736 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.872 0.017 2.601 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.158 -1.611 2.682 1.00 0.00 H new ATOM 99 N LEU A 6 8.332 0.773 7.988 1.00 0.00 N ATOM 100 CA LEU A 6 7.837 0.720 9.386 1.00 0.00 C ATOM 101 C LEU A 6 6.334 1.019 9.458 1.00 0.00 C ATOM 102 O LEU A 6 5.752 1.008 10.525 1.00 0.00 O ATOM 103 CB LEU A 6 8.633 1.717 10.245 1.00 0.00 C ATOM 104 CG LEU A 6 8.710 3.117 9.608 1.00 0.00 C ATOM 105 CD1 LEU A 6 9.868 3.157 8.609 1.00 0.00 C ATOM 106 CD2 LEU A 6 7.397 3.483 8.905 1.00 0.00 C ATOM 0 H LEU A 6 8.368 1.705 7.576 1.00 0.00 H new ATOM 0 HA LEU A 6 7.985 -0.289 9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.170 1.794 11.229 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.642 1.335 10.397 1.00 0.00 H new ATOM 0 HG LEU A 6 8.879 3.847 10.399 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.924 4.147 8.157 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.803 2.941 9.126 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.703 2.412 7.831 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.484 4.477 8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.190 2.756 8.120 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.582 3.477 9.629 1.00 0.00 H new ATOM 118 N THR A 7 5.701 1.284 8.343 1.00 0.00 N ATOM 119 CA THR A 7 4.234 1.573 8.370 1.00 0.00 C ATOM 120 C THR A 7 3.543 0.624 9.354 1.00 0.00 C ATOM 121 O THR A 7 4.052 -0.433 9.670 1.00 0.00 O ATOM 122 CB THR A 7 3.639 1.363 6.976 1.00 0.00 C ATOM 123 OG1 THR A 7 2.276 0.981 7.100 1.00 0.00 O ATOM 124 CG2 THR A 7 4.413 0.264 6.246 1.00 0.00 C ATOM 0 H THR A 7 6.133 1.313 7.420 1.00 0.00 H new ATOM 0 HA THR A 7 4.081 2.606 8.682 1.00 0.00 H new ATOM 0 HB THR A 7 3.709 2.290 6.408 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.702 1.712 6.790 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.987 0.117 5.254 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.459 0.556 6.152 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.346 -0.665 6.811 1.00 0.00 H new ATOM 132 N ALA A 8 2.390 0.991 9.842 1.00 0.00 N ATOM 133 CA ALA A 8 1.676 0.106 10.805 1.00 0.00 C ATOM 134 C ALA A 8 1.274 -1.188 10.107 1.00 0.00 C ATOM 135 O ALA A 8 1.469 -2.274 10.616 1.00 0.00 O ATOM 136 CB ALA A 8 0.426 0.816 11.327 1.00 0.00 C ATOM 0 H ALA A 8 1.912 1.863 9.616 1.00 0.00 H new ATOM 0 HA ALA A 8 2.336 -0.123 11.642 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.094 0.166 12.031 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.715 1.739 11.830 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.235 1.050 10.492 1.00 0.00 H new ATOM 142 N SER A 9 0.718 -1.071 8.944 1.00 0.00 N ATOM 143 CA SER A 9 0.293 -2.281 8.184 1.00 0.00 C ATOM 144 C SER A 9 -0.730 -3.070 9.003 1.00 0.00 C ATOM 145 O SER A 9 -0.492 -3.427 10.140 1.00 0.00 O ATOM 146 CB SER A 9 1.511 -3.161 7.904 1.00 0.00 C ATOM 147 OG SER A 9 1.604 -4.166 8.905 1.00 0.00 O ATOM 0 H SER A 9 0.535 -0.183 8.477 1.00 0.00 H new ATOM 0 HA SER A 9 -0.159 -1.975 7.241 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.424 -3.620 6.919 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.417 -2.555 7.895 1.00 0.00 H new ATOM 0 HG SER A 9 1.299 -3.803 9.762 1.00 0.00 H new ATOM 153 N ARG A 10 -1.869 -3.344 8.433 1.00 0.00 N ATOM 154 CA ARG A 10 -2.909 -4.107 9.175 1.00 0.00 C ATOM 155 C ARG A 10 -4.146 -4.265 8.296 1.00 0.00 C ATOM 156 O ARG A 10 -4.299 -5.234 7.579 1.00 0.00 O ATOM 157 CB ARG A 10 -3.281 -3.346 10.449 1.00 0.00 C ATOM 158 CG ARG A 10 -2.666 -4.046 11.662 1.00 0.00 C ATOM 159 CD ARG A 10 -3.569 -3.840 12.880 1.00 0.00 C ATOM 160 NE ARG A 10 -3.067 -4.663 14.016 1.00 0.00 N ATOM 161 CZ ARG A 10 -1.985 -4.307 14.652 1.00 0.00 C ATOM 162 NH1 ARG A 10 -2.058 -3.453 15.637 1.00 0.00 N ATOM 163 NH2 ARG A 10 -0.829 -4.803 14.303 1.00 0.00 N ATOM 0 H ARG A 10 -2.125 -3.072 7.484 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.523 -5.092 9.438 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.922 -2.318 10.389 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.365 -3.300 10.554 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -2.547 -5.110 11.460 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.672 -3.646 11.861 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.586 -2.787 13.160 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.594 -4.122 12.638 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.570 -5.505 14.297 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.961 -3.064 15.909 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.212 -3.175 16.134 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.771 -5.469 13.533 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.017 -4.524 14.801 1.00 0.00 H new ATOM 177 N LYS A 11 -5.025 -3.314 8.350 1.00 0.00 N ATOM 178 CA LYS A 11 -6.261 -3.388 7.524 1.00 0.00 C ATOM 179 C LYS A 11 -6.681 -1.980 7.103 1.00 0.00 C ATOM 180 O LYS A 11 -5.958 -1.022 7.291 1.00 0.00 O ATOM 181 CB LYS A 11 -7.387 -4.031 8.337 1.00 0.00 C ATOM 182 CG LYS A 11 -6.915 -5.377 8.889 1.00 0.00 C ATOM 183 CD LYS A 11 -8.022 -5.994 9.746 1.00 0.00 C ATOM 184 CE LYS A 11 -8.167 -5.199 11.045 1.00 0.00 C ATOM 185 NZ LYS A 11 -7.250 -5.760 12.077 1.00 0.00 N ATOM 0 H LYS A 11 -4.944 -2.481 8.933 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.064 -3.990 6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.680 -3.373 9.155 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.268 -4.172 7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.658 -6.048 8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.012 -5.241 9.485 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.964 -5.991 9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.786 -7.035 9.969 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -7.934 -4.149 10.869 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.198 -5.242 11.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.349 -5.219 12.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.492 -6.756 12.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.268 -5.697 11.740 1.00 0.00 H new ATOM 199 N ILE A 12 -7.844 -1.853 6.531 1.00 0.00 N ATOM 200 CA ILE A 12 -8.322 -0.517 6.087 1.00 0.00 C ATOM 201 C ILE A 12 -9.851 -0.539 6.008 1.00 0.00 C ATOM 202 O ILE A 12 -10.425 -0.959 5.023 1.00 0.00 O ATOM 203 CB ILE A 12 -7.735 -0.207 4.708 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.256 0.158 4.852 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.486 0.965 4.080 1.00 0.00 C ATOM 206 CD1 ILE A 12 -6.111 1.338 5.815 1.00 0.00 C ATOM 0 H ILE A 12 -8.488 -2.623 6.351 1.00 0.00 H new ATOM 0 HA ILE A 12 -8.005 0.250 6.793 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.835 -1.085 4.070 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.694 -0.699 5.223 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.838 0.416 3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.065 1.183 3.098 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.540 0.707 3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -8.390 1.843 4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.057 1.597 5.917 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.659 2.195 5.425 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.513 1.063 6.790 1.00 0.00 H new ATOM 218 N LYS A 13 -10.513 -0.100 7.042 1.00 0.00 N ATOM 219 CA LYS A 13 -12.004 -0.108 7.031 1.00 0.00 C ATOM 220 C LYS A 13 -12.528 1.060 6.193 1.00 0.00 C ATOM 221 O LYS A 13 -12.646 2.172 6.668 1.00 0.00 O ATOM 222 CB LYS A 13 -12.522 0.027 8.465 1.00 0.00 C ATOM 223 CG LYS A 13 -11.996 -1.134 9.311 1.00 0.00 C ATOM 224 CD LYS A 13 -12.307 -0.873 10.786 1.00 0.00 C ATOM 225 CE LYS A 13 -11.313 0.146 11.346 1.00 0.00 C ATOM 226 NZ LYS A 13 -10.886 -0.273 12.710 1.00 0.00 N ATOM 0 H LYS A 13 -10.087 0.264 7.894 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.353 -1.045 6.597 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.199 0.977 8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.612 0.030 8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.457 -2.069 8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -10.921 -1.243 9.169 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.325 -0.500 10.893 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.247 -1.803 11.351 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.446 0.223 10.690 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.772 1.134 11.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.210 0.420 13.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.717 -0.325 13.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.432 -1.207 12.660 1.00 0.00 H new ATOM 240 N ILE A 14 -12.857 0.815 4.953 1.00 0.00 N ATOM 241 CA ILE A 14 -13.389 1.912 4.095 1.00 0.00 C ATOM 242 C ILE A 14 -14.880 1.663 3.844 1.00 0.00 C ATOM 243 O ILE A 14 -15.362 0.557 3.978 1.00 0.00 O ATOM 244 CB ILE A 14 -12.636 1.933 2.759 1.00 0.00 C ATOM 245 CG1 ILE A 14 -11.164 1.575 2.996 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.736 3.328 2.135 1.00 0.00 C ATOM 247 CD1 ILE A 14 -10.357 1.786 1.710 1.00 0.00 C ATOM 0 H ILE A 14 -12.781 -0.095 4.498 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.253 2.872 4.593 1.00 0.00 H new ATOM 0 HB ILE A 14 -13.079 1.204 2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.756 2.192 3.796 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.082 0.538 3.320 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -12.200 3.341 1.186 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.784 3.576 1.964 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.295 4.061 2.810 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.313 1.529 1.889 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.757 1.149 0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.426 2.830 1.404 1.00 0.00 H new ATOM 259 N LYS A 15 -15.618 2.675 3.481 1.00 0.00 N ATOM 260 CA LYS A 15 -17.071 2.470 3.221 1.00 0.00 C ATOM 261 C LYS A 15 -17.304 2.468 1.708 1.00 0.00 C ATOM 262 O LYS A 15 -16.460 2.891 0.944 1.00 0.00 O ATOM 263 CB LYS A 15 -17.881 3.595 3.871 1.00 0.00 C ATOM 264 CG LYS A 15 -17.742 3.517 5.393 1.00 0.00 C ATOM 265 CD LYS A 15 -19.065 3.053 6.005 1.00 0.00 C ATOM 266 CE LYS A 15 -19.549 4.091 7.020 1.00 0.00 C ATOM 267 NZ LYS A 15 -19.612 3.470 8.374 1.00 0.00 N ATOM 0 H LYS A 15 -15.281 3.629 3.354 1.00 0.00 H new ATOM 0 HA LYS A 15 -17.392 1.519 3.646 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -17.530 4.563 3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.930 3.512 3.587 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -16.943 2.825 5.661 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.466 4.492 5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.812 2.917 5.223 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -18.934 2.086 6.492 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -18.874 4.946 7.032 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.532 4.465 6.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.941 4.175 9.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -20.273 2.667 8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.666 3.134 8.646 1.00 0.00 H new ATOM 281 N ALA A 16 -18.432 1.987 1.264 1.00 0.00 N ATOM 282 CA ALA A 16 -18.692 1.955 -0.203 1.00 0.00 C ATOM 283 C ALA A 16 -18.890 3.382 -0.725 1.00 0.00 C ATOM 284 O ALA A 16 -19.410 4.234 -0.038 1.00 0.00 O ATOM 285 CB ALA A 16 -19.948 1.132 -0.486 1.00 0.00 C ATOM 0 H ALA A 16 -19.181 1.617 1.849 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.839 1.500 -0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.135 1.111 -1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.806 0.114 -0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.801 1.583 0.022 1.00 0.00 H new ATOM 291 N GLY A 17 -18.482 3.642 -1.940 1.00 0.00 N ATOM 292 CA GLY A 17 -18.641 5.009 -2.514 1.00 0.00 C ATOM 293 C GLY A 17 -17.955 6.030 -1.605 1.00 0.00 C ATOM 294 O GLY A 17 -18.406 7.149 -1.464 1.00 0.00 O ATOM 0 H GLY A 17 -18.044 2.962 -2.561 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -18.207 5.047 -3.513 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.699 5.251 -2.616 1.00 0.00 H new ATOM 298 N PHE A 18 -16.876 5.651 -0.970 1.00 0.00 N ATOM 299 CA PHE A 18 -16.180 6.609 -0.054 1.00 0.00 C ATOM 300 C PHE A 18 -14.773 6.928 -0.554 1.00 0.00 C ATOM 301 O PHE A 18 -14.328 6.444 -1.580 1.00 0.00 O ATOM 302 CB PHE A 18 -16.061 5.996 1.341 1.00 0.00 C ATOM 303 CG PHE A 18 -17.252 6.395 2.167 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.527 6.341 1.608 1.00 0.00 C ATOM 305 CD2 PHE A 18 -17.083 6.807 3.494 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.644 6.698 2.371 1.00 0.00 C ATOM 307 CE2 PHE A 18 -18.198 7.165 4.260 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.480 7.110 3.699 1.00 0.00 C ATOM 0 H PHE A 18 -16.448 4.728 -1.044 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.769 7.526 -0.025 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -16.002 4.910 1.269 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.142 6.334 1.821 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.653 6.023 0.584 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.094 6.849 3.926 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.632 6.656 1.936 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -18.070 7.484 5.284 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.341 7.385 4.290 1.00 0.00 H new ATOM 318 N THR A 19 -14.069 7.740 0.190 1.00 0.00 N ATOM 319 CA THR A 19 -12.681 8.113 -0.190 1.00 0.00 C ATOM 320 C THR A 19 -11.739 7.761 0.964 1.00 0.00 C ATOM 321 O THR A 19 -11.913 8.210 2.079 1.00 0.00 O ATOM 322 CB THR A 19 -12.616 9.617 -0.465 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.951 10.329 0.718 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.605 9.973 -1.576 1.00 0.00 C ATOM 0 H THR A 19 -14.404 8.164 1.055 1.00 0.00 H new ATOM 0 HA THR A 19 -12.383 7.570 -1.087 1.00 0.00 H new ATOM 0 HB THR A 19 -11.607 9.888 -0.777 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.720 9.788 1.502 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.560 11.044 -1.773 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.346 9.426 -2.482 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.614 9.703 -1.265 1.00 0.00 H new ATOM 332 N HIS A 20 -10.750 6.950 0.709 1.00 0.00 N ATOM 333 CA HIS A 20 -9.807 6.558 1.798 1.00 0.00 C ATOM 334 C HIS A 20 -8.443 7.212 1.575 1.00 0.00 C ATOM 335 O HIS A 20 -8.128 7.670 0.495 1.00 0.00 O ATOM 336 CB HIS A 20 -9.635 5.040 1.782 1.00 0.00 C ATOM 337 CG HIS A 20 -9.574 4.506 3.179 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.667 4.531 4.027 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.565 3.896 3.878 1.00 0.00 C ATOM 340 CE1 HIS A 20 -10.299 3.947 5.178 1.00 0.00 C ATOM 341 NE2 HIS A 20 -9.024 3.545 5.145 1.00 0.00 N ATOM 0 H HIS A 20 -10.553 6.541 -0.205 1.00 0.00 H new ATOM 0 HA HIS A 20 -10.210 6.886 2.756 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.465 4.579 1.246 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.724 4.777 1.245 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.568 3.715 3.504 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.953 3.817 6.028 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.501 3.081 5.888 1.00 0.00 H new ATOM 349 N ASN A 21 -7.624 7.236 2.590 1.00 0.00 N ATOM 350 CA ASN A 21 -6.268 7.833 2.449 1.00 0.00 C ATOM 351 C ASN A 21 -5.243 6.844 3.004 1.00 0.00 C ATOM 352 O ASN A 21 -4.855 6.909 4.154 1.00 0.00 O ATOM 353 CB ASN A 21 -6.194 9.149 3.226 1.00 0.00 C ATOM 354 CG ASN A 21 -6.460 8.884 4.709 1.00 0.00 C ATOM 355 OD1 ASN A 21 -7.439 8.255 5.059 1.00 0.00 O ATOM 356 ND2 ASN A 21 -5.624 9.340 5.601 1.00 0.00 N ATOM 0 H ASN A 21 -7.838 6.865 3.516 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.059 8.037 1.399 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.212 9.604 3.098 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.926 9.856 2.835 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.792 9.168 6.592 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.802 9.868 5.307 1.00 0.00 H new ATOM 363 N LEU A 22 -4.819 5.917 2.193 1.00 0.00 N ATOM 364 CA LEU A 22 -3.837 4.898 2.652 1.00 0.00 C ATOM 365 C LEU A 22 -2.453 5.531 2.802 1.00 0.00 C ATOM 366 O LEU A 22 -2.007 6.281 1.956 1.00 0.00 O ATOM 367 CB LEU A 22 -3.787 3.789 1.608 1.00 0.00 C ATOM 368 CG LEU A 22 -2.860 2.667 2.068 1.00 0.00 C ATOM 369 CD1 LEU A 22 -3.347 1.352 1.467 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.431 2.940 1.590 1.00 0.00 C ATOM 0 H LEU A 22 -5.114 5.821 1.221 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.137 4.497 3.620 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.789 3.395 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.438 4.191 0.657 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.867 2.611 3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.693 0.541 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.364 1.153 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.332 1.421 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.776 2.135 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.416 2.994 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.083 3.886 2.005 1.00 0.00 H new ATOM 382 N GLU A 23 -1.767 5.230 3.873 1.00 0.00 N ATOM 383 CA GLU A 23 -0.411 5.814 4.077 1.00 0.00 C ATOM 384 C GLU A 23 0.585 4.711 4.450 1.00 0.00 C ATOM 385 O GLU A 23 0.232 3.708 5.038 1.00 0.00 O ATOM 386 CB GLU A 23 -0.467 6.849 5.204 1.00 0.00 C ATOM 387 CG GLU A 23 -0.947 6.176 6.491 1.00 0.00 C ATOM 388 CD GLU A 23 -2.279 6.792 6.923 1.00 0.00 C ATOM 389 OE1 GLU A 23 -3.130 6.975 6.068 1.00 0.00 O ATOM 390 OE2 GLU A 23 -2.425 7.071 8.102 1.00 0.00 O ATOM 0 H GLU A 23 -2.087 4.606 4.614 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.086 6.292 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.518 7.289 5.357 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.141 7.662 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.065 5.104 6.331 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.204 6.301 7.278 1.00 0.00 H new ATOM 397 N VAL A 24 1.830 4.900 4.110 1.00 0.00 N ATOM 398 CA VAL A 24 2.875 3.885 4.433 1.00 0.00 C ATOM 399 C VAL A 24 4.231 4.587 4.490 1.00 0.00 C ATOM 400 O VAL A 24 4.391 5.675 3.974 1.00 0.00 O ATOM 401 CB VAL A 24 2.898 2.805 3.345 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.215 2.027 3.409 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.736 1.842 3.567 1.00 0.00 C ATOM 0 H VAL A 24 2.173 5.724 3.616 1.00 0.00 H new ATOM 0 HA VAL A 24 2.657 3.415 5.392 1.00 0.00 H new ATOM 0 HB VAL A 24 2.807 3.279 2.368 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.224 1.262 2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.049 2.711 3.253 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.311 1.554 4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.749 1.072 2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.833 1.375 4.547 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.795 2.390 3.518 1.00 0.00 H new ATOM 413 N ASP A 25 5.211 3.984 5.109 1.00 0.00 N ATOM 414 CA ASP A 25 6.543 4.641 5.186 1.00 0.00 C ATOM 415 C ASP A 25 7.648 3.591 5.268 1.00 0.00 C ATOM 416 O ASP A 25 7.527 2.596 5.954 1.00 0.00 O ATOM 417 CB ASP A 25 6.592 5.543 6.423 1.00 0.00 C ATOM 418 CG ASP A 25 8.037 5.966 6.698 1.00 0.00 C ATOM 419 OD1 ASP A 25 8.837 5.100 7.013 1.00 0.00 O ATOM 420 OD2 ASP A 25 8.319 7.148 6.588 1.00 0.00 O ATOM 0 H ASP A 25 5.146 3.072 5.561 1.00 0.00 H new ATOM 0 HA ASP A 25 6.698 5.240 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.969 6.424 6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.187 5.015 7.286 1.00 0.00 H new ATOM 425 N PHE A 26 8.733 3.817 4.577 1.00 0.00 N ATOM 426 CA PHE A 26 9.856 2.840 4.621 1.00 0.00 C ATOM 427 C PHE A 26 11.159 3.550 4.243 1.00 0.00 C ATOM 428 O PHE A 26 11.234 4.237 3.246 1.00 0.00 O ATOM 429 CB PHE A 26 9.588 1.686 3.643 1.00 0.00 C ATOM 430 CG PHE A 26 9.532 2.190 2.222 1.00 0.00 C ATOM 431 CD1 PHE A 26 8.333 2.698 1.705 1.00 0.00 C ATOM 432 CD2 PHE A 26 10.673 2.127 1.412 1.00 0.00 C ATOM 433 CE1 PHE A 26 8.277 3.145 0.380 1.00 0.00 C ATOM 434 CE2 PHE A 26 10.617 2.577 0.089 1.00 0.00 C ATOM 435 CZ PHE A 26 9.419 3.085 -0.427 1.00 0.00 C ATOM 0 H PHE A 26 8.889 4.634 3.986 1.00 0.00 H new ATOM 0 HA PHE A 26 9.942 2.433 5.629 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.372 0.935 3.736 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.647 1.198 3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.452 2.745 2.329 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.596 1.731 1.809 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.353 3.536 -0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 26 11.498 2.533 -0.534 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.376 3.431 -1.449 1.00 0.00 H new ATOM 445 N ILE A 27 12.183 3.399 5.039 1.00 0.00 N ATOM 446 CA ILE A 27 13.476 4.080 4.726 1.00 0.00 C ATOM 447 C ILE A 27 14.251 3.277 3.680 1.00 0.00 C ATOM 448 O ILE A 27 15.140 2.512 3.999 1.00 0.00 O ATOM 449 CB ILE A 27 14.304 4.205 6.006 1.00 0.00 C ATOM 450 CG1 ILE A 27 13.729 5.338 6.852 1.00 0.00 C ATOM 451 CG2 ILE A 27 15.761 4.521 5.659 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.255 5.056 7.147 1.00 0.00 C ATOM 0 H ILE A 27 12.182 2.836 5.890 1.00 0.00 H new ATOM 0 HA ILE A 27 13.274 5.073 4.326 1.00 0.00 H new ATOM 0 HB ILE A 27 14.267 3.266 6.558 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.287 5.429 7.784 1.00 0.00 H new ATOM 0 HG13 ILE A 27 13.831 6.287 6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.343 4.608 6.577 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.171 3.720 5.044 1.00 0.00 H new ATOM 0 HG23 ILE A 27 15.808 5.461 5.109 1.00 0.00 H new ATOM 0 HD11 ILE A 27 11.844 5.865 7.751 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.703 4.986 6.210 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.166 4.116 7.691 1.00 0.00 H new ATOM 464 N GLY A 28 13.925 3.450 2.433 1.00 0.00 N ATOM 465 CA GLY A 28 14.643 2.697 1.366 1.00 0.00 C ATOM 466 C GLY A 28 15.360 3.670 0.432 1.00 0.00 C ATOM 467 O GLY A 28 14.928 4.786 0.226 1.00 0.00 O ATOM 0 H GLY A 28 13.193 4.079 2.104 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.363 2.013 1.814 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.937 2.090 0.800 1.00 0.00 H new ATOM 471 N ALA A 29 16.454 3.249 -0.142 1.00 0.00 N ATOM 472 CA ALA A 29 17.201 4.140 -1.070 1.00 0.00 C ATOM 473 C ALA A 29 18.554 3.505 -1.413 1.00 0.00 C ATOM 474 O ALA A 29 18.957 2.538 -0.797 1.00 0.00 O ATOM 475 CB ALA A 29 17.416 5.501 -0.407 1.00 0.00 C ATOM 0 H ALA A 29 16.862 2.324 -0.007 1.00 0.00 H new ATOM 0 HA ALA A 29 16.628 4.275 -1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 29 17.963 6.154 -1.086 1.00 0.00 H new ATOM 0 HB2 ALA A 29 16.450 5.948 -0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 29 17.988 5.372 0.512 1.00 0.00 H new ATOM 481 N PRO A 30 19.205 4.063 -2.402 1.00 0.00 N ATOM 482 CA PRO A 30 18.699 5.235 -3.136 1.00 0.00 C ATOM 483 C PRO A 30 17.561 4.828 -4.066 1.00 0.00 C ATOM 484 O PRO A 30 17.565 3.761 -4.647 1.00 0.00 O ATOM 485 CB PRO A 30 19.908 5.719 -3.933 1.00 0.00 C ATOM 486 CG PRO A 30 20.846 4.503 -4.061 1.00 0.00 C ATOM 487 CD PRO A 30 20.503 3.561 -2.892 1.00 0.00 C ATOM 0 HA PRO A 30 18.296 6.007 -2.480 1.00 0.00 H new ATOM 0 HB2 PRO A 30 19.607 6.085 -4.915 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.406 6.544 -3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 30 20.703 4.002 -5.018 1.00 0.00 H new ATOM 0 HG3 PRO A 30 21.890 4.812 -4.016 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.432 2.524 -3.222 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.265 3.596 -2.113 1.00 0.00 H new ATOM 495 N ASP A 31 16.595 5.686 -4.204 1.00 0.00 N ATOM 496 CA ASP A 31 15.428 5.401 -5.089 1.00 0.00 C ATOM 497 C ASP A 31 15.070 3.910 -5.042 1.00 0.00 C ATOM 498 O ASP A 31 15.452 3.157 -5.916 1.00 0.00 O ATOM 499 CB ASP A 31 15.771 5.797 -6.526 1.00 0.00 C ATOM 500 CG ASP A 31 14.518 6.334 -7.221 1.00 0.00 C ATOM 501 OD1 ASP A 31 14.189 7.487 -6.998 1.00 0.00 O ATOM 502 OD2 ASP A 31 13.909 5.582 -7.964 1.00 0.00 O ATOM 0 H ASP A 31 16.561 6.591 -3.734 1.00 0.00 H new ATOM 0 HA ASP A 31 14.572 5.979 -4.740 1.00 0.00 H new ATOM 0 HB2 ASP A 31 16.554 6.555 -6.528 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.160 4.935 -7.069 1.00 0.00 H new ATOM 507 N PRO A 32 14.337 3.532 -4.026 1.00 0.00 N ATOM 508 CA PRO A 32 13.898 2.137 -3.837 1.00 0.00 C ATOM 509 C PRO A 32 12.710 1.836 -4.753 1.00 0.00 C ATOM 510 O PRO A 32 12.360 2.627 -5.607 1.00 0.00 O ATOM 511 CB PRO A 32 13.470 2.090 -2.368 1.00 0.00 C ATOM 512 CG PRO A 32 13.145 3.548 -1.967 1.00 0.00 C ATOM 513 CD PRO A 32 13.880 4.457 -2.970 1.00 0.00 C ATOM 0 HA PRO A 32 14.670 1.405 -4.074 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.600 1.447 -2.236 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.265 1.682 -1.744 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.070 3.727 -1.998 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.473 3.751 -0.948 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.218 5.225 -3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.718 4.972 -2.501 1.00 0.00 H new ATOM 521 N THR A 33 12.081 0.707 -4.582 1.00 0.00 N ATOM 522 CA THR A 33 10.914 0.377 -5.446 1.00 0.00 C ATOM 523 C THR A 33 9.764 -0.146 -4.584 1.00 0.00 C ATOM 524 O THR A 33 9.835 -1.219 -4.020 1.00 0.00 O ATOM 525 CB THR A 33 11.307 -0.691 -6.466 1.00 0.00 C ATOM 526 OG1 THR A 33 12.296 -0.167 -7.342 1.00 0.00 O ATOM 527 CG2 THR A 33 10.071 -1.096 -7.269 1.00 0.00 C ATOM 0 H THR A 33 12.323 0.002 -3.885 1.00 0.00 H new ATOM 0 HA THR A 33 10.596 1.278 -5.970 1.00 0.00 H new ATOM 0 HB THR A 33 11.709 -1.563 -5.951 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.550 -0.852 -7.996 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.345 -1.858 -7.999 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.314 -1.495 -6.594 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.672 -0.224 -7.787 1.00 0.00 H new ATOM 535 N ALA A 34 8.699 0.599 -4.489 1.00 0.00 N ATOM 536 CA ALA A 34 7.540 0.141 -3.672 1.00 0.00 C ATOM 537 C ALA A 34 6.401 -0.264 -4.607 1.00 0.00 C ATOM 538 O ALA A 34 5.884 0.542 -5.355 1.00 0.00 O ATOM 539 CB ALA A 34 7.078 1.273 -2.753 1.00 0.00 C ATOM 0 H ALA A 34 8.580 1.505 -4.941 1.00 0.00 H new ATOM 0 HA ALA A 34 7.834 -0.713 -3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.230 0.935 -2.157 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.895 1.561 -2.091 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.779 2.131 -3.355 1.00 0.00 H new ATOM 545 N THR A 35 6.015 -1.509 -4.581 1.00 0.00 N ATOM 546 CA THR A 35 4.921 -1.964 -5.481 1.00 0.00 C ATOM 547 C THR A 35 3.624 -2.131 -4.687 1.00 0.00 C ATOM 548 O THR A 35 3.535 -2.943 -3.785 1.00 0.00 O ATOM 549 CB THR A 35 5.308 -3.304 -6.110 1.00 0.00 C ATOM 550 OG1 THR A 35 6.498 -3.143 -6.869 1.00 0.00 O ATOM 551 CG2 THR A 35 4.180 -3.786 -7.024 1.00 0.00 C ATOM 0 H THR A 35 6.409 -2.230 -3.976 1.00 0.00 H new ATOM 0 HA THR A 35 4.767 -1.220 -6.262 1.00 0.00 H new ATOM 0 HB THR A 35 5.475 -4.040 -5.323 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.748 -4.001 -7.271 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.457 -4.741 -7.471 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.267 -3.910 -6.441 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.011 -3.052 -7.812 1.00 0.00 H new ATOM 559 N TRP A 36 2.614 -1.378 -5.030 1.00 0.00 N ATOM 560 CA TRP A 36 1.314 -1.498 -4.316 1.00 0.00 C ATOM 561 C TRP A 36 0.525 -2.664 -4.932 1.00 0.00 C ATOM 562 O TRP A 36 -0.052 -2.563 -6.010 1.00 0.00 O ATOM 563 CB TRP A 36 0.534 -0.187 -4.454 1.00 0.00 C ATOM 564 CG TRP A 36 0.890 0.719 -3.310 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.606 1.865 -3.411 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.571 0.568 -1.895 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.733 2.427 -2.156 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.116 1.666 -1.189 1.00 0.00 C ATOM 569 CE3 TRP A 36 -0.131 -0.401 -1.163 1.00 0.00 C ATOM 570 CZ2 TRP A 36 0.970 1.796 0.192 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.278 -0.274 0.228 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.270 0.821 0.903 1.00 0.00 C ATOM 0 H TRP A 36 2.635 -0.683 -5.777 1.00 0.00 H new ATOM 0 HA TRP A 36 1.477 -1.692 -3.256 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.772 0.294 -5.403 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.538 -0.386 -4.457 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.012 2.273 -4.325 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.225 3.301 -1.968 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.561 -1.250 -1.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.395 2.645 0.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.819 -1.028 0.781 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.152 0.912 1.973 1.00 0.00 H new ATOM 583 N THR A 37 0.508 -3.787 -4.270 1.00 0.00 N ATOM 584 CA THR A 37 -0.231 -4.945 -4.831 1.00 0.00 C ATOM 585 C THR A 37 -1.520 -5.167 -4.054 1.00 0.00 C ATOM 586 O THR A 37 -1.873 -4.413 -3.168 1.00 0.00 O ATOM 587 CB THR A 37 0.611 -6.220 -4.764 1.00 0.00 C ATOM 588 OG1 THR A 37 1.735 -6.008 -3.922 1.00 0.00 O ATOM 589 CG2 THR A 37 1.088 -6.602 -6.166 1.00 0.00 C ATOM 0 H THR A 37 0.969 -3.950 -3.375 1.00 0.00 H new ATOM 0 HA THR A 37 -0.456 -4.722 -5.874 1.00 0.00 H new ATOM 0 HB THR A 37 0.002 -7.028 -4.359 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.433 -5.880 -2.999 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.687 -7.511 -6.111 1.00 0.00 H new ATOM 0 HG22 THR A 37 0.225 -6.774 -6.810 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.692 -5.793 -6.578 1.00 0.00 H new ATOM 597 N VAL A 38 -2.236 -6.192 -4.401 1.00 0.00 N ATOM 598 CA VAL A 38 -3.520 -6.465 -3.720 1.00 0.00 C ATOM 599 C VAL A 38 -3.761 -7.981 -3.666 1.00 0.00 C ATOM 600 O VAL A 38 -2.964 -8.763 -4.146 1.00 0.00 O ATOM 601 CB VAL A 38 -4.610 -5.771 -4.536 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.031 -6.664 -5.701 1.00 0.00 C ATOM 603 CG2 VAL A 38 -5.813 -5.463 -3.655 1.00 0.00 C ATOM 0 H VAL A 38 -1.984 -6.856 -5.133 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.518 -6.093 -2.695 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.215 -4.834 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.808 -6.165 -6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.170 -6.857 -6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.416 -7.608 -5.315 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -6.582 -4.969 -4.249 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.211 -6.391 -3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.508 -4.808 -2.839 1.00 0.00 H new ATOM 650 N ALA A 43 -1.926 -10.170 -6.851 1.00 0.00 N ATOM 651 CA ALA A 43 -2.812 -9.195 -7.538 1.00 0.00 C ATOM 652 C ALA A 43 -2.189 -7.805 -7.423 1.00 0.00 C ATOM 653 O ALA A 43 -1.146 -7.640 -6.830 1.00 0.00 O ATOM 654 CB ALA A 43 -4.196 -9.204 -6.883 1.00 0.00 C ATOM 0 HA ALA A 43 -2.921 -9.465 -8.588 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.843 -8.488 -7.390 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.629 -10.202 -6.960 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.103 -8.929 -5.832 1.00 0.00 H new ATOM 660 N ALA A 44 -2.805 -6.802 -7.983 1.00 0.00 N ATOM 661 CA ALA A 44 -2.211 -5.438 -7.888 1.00 0.00 C ATOM 662 C ALA A 44 -3.315 -4.396 -7.711 1.00 0.00 C ATOM 663 O ALA A 44 -4.451 -4.619 -8.078 1.00 0.00 O ATOM 664 CB ALA A 44 -1.427 -5.135 -9.166 1.00 0.00 C ATOM 0 H ALA A 44 -3.684 -6.865 -8.497 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.543 -5.399 -7.028 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.992 -4.138 -9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.632 -5.870 -9.288 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.098 -5.181 -10.024 1.00 0.00 H new ATOM 670 N LEU A 45 -2.993 -3.245 -7.172 1.00 0.00 N ATOM 671 CA LEU A 45 -4.053 -2.200 -7.013 1.00 0.00 C ATOM 672 C LEU A 45 -3.482 -0.841 -7.424 1.00 0.00 C ATOM 673 O LEU A 45 -2.324 -0.552 -7.203 1.00 0.00 O ATOM 674 CB LEU A 45 -4.602 -2.180 -5.571 1.00 0.00 C ATOM 675 CG LEU A 45 -3.601 -1.591 -4.575 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.239 -2.203 -4.795 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.517 -0.073 -4.739 1.00 0.00 C ATOM 0 H LEU A 45 -2.063 -2.987 -6.842 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.896 -2.436 -7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.523 -1.598 -5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.857 -3.195 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.940 -1.817 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.531 -1.780 -4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.297 -3.282 -4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.904 -1.990 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.801 0.331 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.192 0.166 -5.752 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.498 0.367 -4.559 1.00 0.00 H new ATOM 728 N LEU A 49 -7.781 3.573 -8.027 1.00 0.00 N ATOM 729 CA LEU A 49 -7.573 4.521 -6.906 1.00 0.00 C ATOM 730 C LEU A 49 -6.507 5.546 -7.285 1.00 0.00 C ATOM 731 O LEU A 49 -6.150 5.701 -8.436 1.00 0.00 O ATOM 732 CB LEU A 49 -7.106 3.783 -5.647 1.00 0.00 C ATOM 733 CG LEU A 49 -6.835 2.310 -5.934 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.760 1.804 -4.975 1.00 0.00 C ATOM 735 CD2 LEU A 49 -8.121 1.525 -5.709 1.00 0.00 C ATOM 0 HA LEU A 49 -8.523 5.016 -6.705 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.201 4.253 -5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.865 3.870 -4.870 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.496 2.183 -6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.561 0.751 -5.174 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.845 2.380 -5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.105 1.920 -3.948 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.943 0.469 -5.911 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.446 1.647 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.896 1.896 -6.379 1.00 0.00 H new ATOM 747 N LEU A 50 -5.996 6.242 -6.309 1.00 0.00 N ATOM 748 CA LEU A 50 -4.939 7.269 -6.582 1.00 0.00 C ATOM 749 C LEU A 50 -3.664 6.870 -5.835 1.00 0.00 C ATOM 750 O LEU A 50 -3.348 7.406 -4.794 1.00 0.00 O ATOM 751 CB LEU A 50 -5.414 8.635 -6.081 1.00 0.00 C ATOM 752 CG LEU A 50 -5.911 9.482 -7.251 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.838 8.644 -8.134 1.00 0.00 C ATOM 754 CD2 LEU A 50 -6.680 10.688 -6.704 1.00 0.00 C ATOM 0 H LEU A 50 -6.262 6.147 -5.329 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.743 7.326 -7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.213 8.505 -5.351 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.598 9.148 -5.572 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.062 9.823 -7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.192 9.250 -8.968 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.293 7.781 -8.517 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.690 8.303 -7.546 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.038 11.298 -7.533 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.529 10.341 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.021 11.284 -6.073 1.00 0.00 H new ATOM 766 N VAL A 51 -2.942 5.912 -6.340 1.00 0.00 N ATOM 767 CA VAL A 51 -1.719 5.453 -5.624 1.00 0.00 C ATOM 768 C VAL A 51 -0.535 6.397 -5.837 1.00 0.00 C ATOM 769 O VAL A 51 -0.174 6.736 -6.946 1.00 0.00 O ATOM 770 CB VAL A 51 -1.350 4.058 -6.118 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.174 3.520 -5.303 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.555 3.141 -5.934 1.00 0.00 C ATOM 0 H VAL A 51 -3.144 5.427 -7.215 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.940 5.441 -4.557 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.067 4.099 -7.170 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.088 2.523 -5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.683 4.184 -5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.454 3.469 -4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.306 2.139 -6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.824 3.101 -4.878 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.397 3.527 -6.509 1.00 0.00 H new ATOM 782 N ASP A 52 0.089 6.788 -4.756 1.00 0.00 N ATOM 783 CA ASP A 52 1.281 7.677 -4.831 1.00 0.00 C ATOM 784 C ASP A 52 2.373 7.041 -3.970 1.00 0.00 C ATOM 785 O ASP A 52 2.086 6.375 -2.995 1.00 0.00 O ATOM 786 CB ASP A 52 0.930 9.064 -4.286 1.00 0.00 C ATOM 787 CG ASP A 52 -0.086 9.735 -5.212 1.00 0.00 C ATOM 788 OD1 ASP A 52 -1.261 9.433 -5.086 1.00 0.00 O ATOM 789 OD2 ASP A 52 0.328 10.539 -6.030 1.00 0.00 O ATOM 0 H ASP A 52 -0.184 6.523 -3.810 1.00 0.00 H new ATOM 0 HA ASP A 52 1.617 7.791 -5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.519 8.978 -3.280 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.829 9.675 -4.212 1.00 0.00 H new ATOM 794 N ALA A 53 3.618 7.200 -4.311 1.00 0.00 N ATOM 795 CA ALA A 53 4.665 6.548 -3.478 1.00 0.00 C ATOM 796 C ALA A 53 5.979 7.332 -3.529 1.00 0.00 C ATOM 797 O ALA A 53 6.323 7.931 -4.528 1.00 0.00 O ATOM 798 CB ALA A 53 4.885 5.128 -3.997 1.00 0.00 C ATOM 0 H ALA A 53 3.952 7.739 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 53 4.333 6.525 -2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.650 4.636 -3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.953 4.567 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.209 5.167 -5.037 1.00 0.00 H new ATOM 804 N LYS A 54 6.717 7.322 -2.448 1.00 0.00 N ATOM 805 CA LYS A 54 8.015 8.058 -2.418 1.00 0.00 C ATOM 806 C LYS A 54 9.160 7.103 -2.053 1.00 0.00 C ATOM 807 O LYS A 54 8.964 6.014 -1.547 1.00 0.00 O ATOM 808 CB LYS A 54 7.936 9.229 -1.419 1.00 0.00 C ATOM 809 CG LYS A 54 9.208 9.328 -0.563 1.00 0.00 C ATOM 810 CD LYS A 54 9.081 10.505 0.406 1.00 0.00 C ATOM 811 CE LYS A 54 9.971 11.657 -0.066 1.00 0.00 C ATOM 812 NZ LYS A 54 10.343 12.506 1.100 1.00 0.00 N ATOM 0 H LYS A 54 6.476 6.835 -1.585 1.00 0.00 H new ATOM 0 HA LYS A 54 8.215 8.465 -3.409 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.789 10.162 -1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.070 9.097 -0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.359 8.402 -0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.080 9.462 -1.203 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.043 10.833 0.461 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.371 10.196 1.410 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.868 11.265 -0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.446 12.254 -0.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.948 13.289 0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.482 12.890 1.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.859 11.932 1.797 1.00 0.00 H new ATOM 826 N SER A 55 10.354 7.529 -2.324 1.00 0.00 N ATOM 827 CA SER A 55 11.559 6.691 -2.044 1.00 0.00 C ATOM 828 C SER A 55 11.565 6.155 -0.606 1.00 0.00 C ATOM 829 O SER A 55 11.720 4.971 -0.383 1.00 0.00 O ATOM 830 CB SER A 55 12.814 7.534 -2.265 1.00 0.00 C ATOM 831 OG SER A 55 13.835 7.097 -1.377 1.00 0.00 O ATOM 0 H SER A 55 10.557 8.440 -2.736 1.00 0.00 H new ATOM 0 HA SER A 55 11.538 5.837 -2.721 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.150 7.443 -3.298 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.593 8.588 -2.094 1.00 0.00 H new ATOM 0 HG SER A 55 14.642 7.635 -1.517 1.00 0.00 H new ATOM 837 N SER A 56 11.437 7.004 0.373 1.00 0.00 N ATOM 838 CA SER A 56 11.485 6.512 1.781 1.00 0.00 C ATOM 839 C SER A 56 10.076 6.342 2.346 1.00 0.00 C ATOM 840 O SER A 56 9.877 6.357 3.545 1.00 0.00 O ATOM 841 CB SER A 56 12.254 7.516 2.640 1.00 0.00 C ATOM 842 OG SER A 56 13.646 7.252 2.537 1.00 0.00 O ATOM 0 H SER A 56 11.302 8.009 0.264 1.00 0.00 H new ATOM 0 HA SER A 56 11.985 5.543 1.794 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.040 8.533 2.311 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.934 7.443 3.679 1.00 0.00 H new ATOM 0 HG SER A 56 14.142 7.895 3.085 1.00 0.00 H new ATOM 848 N THR A 57 9.091 6.182 1.511 1.00 0.00 N ATOM 849 CA THR A 57 7.712 6.021 2.053 1.00 0.00 C ATOM 850 C THR A 57 6.738 5.821 0.903 1.00 0.00 C ATOM 851 O THR A 57 7.135 5.618 -0.221 1.00 0.00 O ATOM 852 CB THR A 57 7.338 7.296 2.821 1.00 0.00 C ATOM 853 OG1 THR A 57 6.177 7.073 3.603 1.00 0.00 O ATOM 854 CG2 THR A 57 7.066 8.419 1.825 1.00 0.00 C ATOM 0 H THR A 57 9.175 6.156 0.495 1.00 0.00 H new ATOM 0 HA THR A 57 7.668 5.157 2.716 1.00 0.00 H new ATOM 0 HB THR A 57 8.162 7.572 3.479 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.829 6.175 3.423 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.800 9.328 2.365 1.00 0.00 H new ATOM 0 HG22 THR A 57 7.960 8.600 1.228 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.244 8.133 1.169 1.00 0.00 H new ATOM 862 N THR A 58 5.467 5.893 1.172 1.00 0.00 N ATOM 863 CA THR A 58 4.478 5.734 0.081 1.00 0.00 C ATOM 864 C THR A 58 3.068 5.791 0.654 1.00 0.00 C ATOM 865 O THR A 58 2.810 5.320 1.740 1.00 0.00 O ATOM 866 CB THR A 58 4.675 4.390 -0.620 1.00 0.00 C ATOM 867 OG1 THR A 58 3.914 4.377 -1.813 1.00 0.00 O ATOM 868 CG2 THR A 58 4.198 3.263 0.291 1.00 0.00 C ATOM 0 H THR A 58 5.073 6.055 2.099 1.00 0.00 H new ATOM 0 HA THR A 58 4.620 6.541 -0.638 1.00 0.00 H new ATOM 0 HB THR A 58 5.731 4.248 -0.849 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.036 3.518 -2.269 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.339 2.305 -0.210 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.773 3.276 1.217 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.141 3.401 0.518 1.00 0.00 H new ATOM 876 N SER A 59 2.151 6.345 -0.080 1.00 0.00 N ATOM 877 CA SER A 59 0.750 6.413 0.407 1.00 0.00 C ATOM 878 C SER A 59 -0.169 6.336 -0.795 1.00 0.00 C ATOM 879 O SER A 59 0.142 6.828 -1.861 1.00 0.00 O ATOM 880 CB SER A 59 0.517 7.722 1.163 1.00 0.00 C ATOM 881 OG SER A 59 1.260 7.702 2.376 1.00 0.00 O ATOM 0 H SER A 59 2.311 6.755 -1.000 1.00 0.00 H new ATOM 0 HA SER A 59 0.549 5.587 1.089 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.823 8.569 0.549 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.545 7.849 1.375 1.00 0.00 H new ATOM 0 HG SER A 59 1.115 8.540 2.863 1.00 0.00 H new ATOM 887 N ILE A 60 -1.288 5.700 -0.659 1.00 0.00 N ATOM 888 CA ILE A 60 -2.168 5.587 -1.833 1.00 0.00 C ATOM 889 C ILE A 60 -3.588 6.042 -1.486 1.00 0.00 C ATOM 890 O ILE A 60 -3.913 6.299 -0.342 1.00 0.00 O ATOM 891 CB ILE A 60 -2.060 4.154 -2.376 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.857 3.162 -1.532 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.580 3.743 -2.327 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.637 1.748 -2.088 1.00 0.00 C ATOM 0 H ILE A 60 -1.625 5.262 0.198 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.858 6.256 -2.636 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.461 4.137 -3.390 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.538 3.212 -0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.917 3.415 -1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.472 2.727 -2.707 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.008 4.425 -2.941 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.225 3.785 -1.297 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.202 1.031 -1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.976 1.707 -3.123 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.576 1.501 -2.044 1.00 0.00 H new ATOM 906 N PHE A 61 -4.392 6.262 -2.489 1.00 0.00 N ATOM 907 CA PHE A 61 -5.745 6.844 -2.257 1.00 0.00 C ATOM 908 C PHE A 61 -6.890 5.928 -2.673 1.00 0.00 C ATOM 909 O PHE A 61 -6.761 5.119 -3.559 1.00 0.00 O ATOM 910 CB PHE A 61 -5.819 8.089 -3.123 1.00 0.00 C ATOM 911 CG PHE A 61 -5.559 9.300 -2.295 1.00 0.00 C ATOM 912 CD1 PHE A 61 -4.396 9.377 -1.531 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.471 10.350 -2.304 1.00 0.00 C ATOM 914 CE1 PHE A 61 -4.139 10.511 -0.769 1.00 0.00 C ATOM 915 CE2 PHE A 61 -6.226 11.487 -1.544 1.00 0.00 C ATOM 916 CZ PHE A 61 -5.056 11.575 -0.771 1.00 0.00 C ATOM 0 H PHE A 61 -4.169 6.063 -3.464 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.860 7.027 -1.189 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.088 8.025 -3.929 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.802 8.161 -3.589 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.695 8.556 -1.531 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.368 10.282 -2.901 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.237 10.574 -0.178 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.934 12.302 -1.547 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.862 12.458 -0.180 1.00 0.00 H new ATOM 926 N PHE A 62 -8.036 6.115 -2.061 1.00 0.00 N ATOM 927 CA PHE A 62 -9.241 5.318 -2.428 1.00 0.00 C ATOM 928 C PHE A 62 -10.462 6.247 -2.510 1.00 0.00 C ATOM 929 O PHE A 62 -11.500 5.923 -1.970 1.00 0.00 O ATOM 930 CB PHE A 62 -9.566 4.279 -1.356 1.00 0.00 C ATOM 931 CG PHE A 62 -8.452 3.281 -1.170 1.00 0.00 C ATOM 932 CD1 PHE A 62 -7.173 3.705 -0.801 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.718 1.918 -1.341 1.00 0.00 C ATOM 934 CE1 PHE A 62 -6.157 2.763 -0.604 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.703 0.977 -1.148 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.423 1.399 -0.779 1.00 0.00 C ATOM 0 H PHE A 62 -8.185 6.795 -1.315 1.00 0.00 H new ATOM 0 HA PHE A 62 -9.029 4.830 -3.379 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.759 4.785 -0.410 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.481 3.753 -1.629 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.969 4.757 -0.668 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.709 1.593 -1.622 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -5.168 3.088 -0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -7.908 -0.075 -1.284 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.638 0.673 -0.629 1.00 0.00 H new ATOM 946 N PRO A 63 -10.324 7.359 -3.185 1.00 0.00 N ATOM 947 CA PRO A 63 -11.432 8.319 -3.349 1.00 0.00 C ATOM 948 C PRO A 63 -12.570 7.663 -4.123 1.00 0.00 C ATOM 949 O PRO A 63 -13.684 8.146 -4.157 1.00 0.00 O ATOM 950 CB PRO A 63 -10.793 9.490 -4.102 1.00 0.00 C ATOM 951 CG PRO A 63 -9.527 8.915 -4.767 1.00 0.00 C ATOM 952 CD PRO A 63 -9.081 7.758 -3.860 1.00 0.00 C ATOM 0 HA PRO A 63 -11.877 8.653 -2.412 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.477 9.896 -4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.543 10.304 -3.421 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.738 8.564 -5.777 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.748 9.673 -4.850 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.655 6.937 -4.436 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.320 8.076 -3.147 1.00 0.00 H new ATOM 960 N SER A 64 -12.292 6.541 -4.715 1.00 0.00 N ATOM 961 CA SER A 64 -13.340 5.800 -5.464 1.00 0.00 C ATOM 962 C SER A 64 -13.469 4.400 -4.855 1.00 0.00 C ATOM 963 O SER A 64 -13.462 3.409 -5.559 1.00 0.00 O ATOM 964 CB SER A 64 -12.934 5.683 -6.936 1.00 0.00 C ATOM 965 OG SER A 64 -14.100 5.722 -7.748 1.00 0.00 O ATOM 0 H SER A 64 -11.373 6.099 -4.713 1.00 0.00 H new ATOM 0 HA SER A 64 -14.292 6.328 -5.400 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.261 6.497 -7.206 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.391 4.753 -7.103 1.00 0.00 H new ATOM 0 HG SER A 64 -13.844 5.649 -8.691 1.00 0.00 H new ATOM 971 N ALA A 65 -13.574 4.301 -3.550 1.00 0.00 N ATOM 972 CA ALA A 65 -13.685 2.955 -2.921 1.00 0.00 C ATOM 973 C ALA A 65 -15.142 2.511 -2.878 1.00 0.00 C ATOM 974 O ALA A 65 -16.041 3.298 -2.633 1.00 0.00 O ATOM 975 CB ALA A 65 -13.140 2.991 -1.497 1.00 0.00 C ATOM 0 H ALA A 65 -13.587 5.089 -2.902 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.105 2.252 -3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.227 2.001 -1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -12.092 3.290 -1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.711 3.708 -0.907 1.00 0.00 H new ATOM 981 N LYS A 66 -15.366 1.245 -3.103 1.00 0.00 N ATOM 982 CA LYS A 66 -16.751 0.698 -3.082 1.00 0.00 C ATOM 983 C LYS A 66 -16.724 -0.735 -2.547 1.00 0.00 C ATOM 984 O LYS A 66 -15.676 -1.300 -2.312 1.00 0.00 O ATOM 985 CB LYS A 66 -17.324 0.702 -4.501 1.00 0.00 C ATOM 986 CG LYS A 66 -17.960 2.063 -4.792 1.00 0.00 C ATOM 987 CD LYS A 66 -19.387 2.088 -4.240 1.00 0.00 C ATOM 988 CE LYS A 66 -20.380 1.850 -5.380 1.00 0.00 C ATOM 989 NZ LYS A 66 -21.466 2.867 -5.312 1.00 0.00 N ATOM 0 H LYS A 66 -14.638 0.559 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.376 1.316 -2.437 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.535 0.496 -5.224 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.067 -0.088 -4.607 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -17.369 2.857 -4.337 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -17.971 2.249 -5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -19.506 1.321 -3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -19.587 3.048 -3.764 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.869 1.912 -6.341 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -20.801 0.847 -5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -22.141 2.706 -6.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -21.960 2.787 -4.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -21.056 3.819 -5.402 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.871 -1.327 -2.352 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.911 -2.722 -1.829 1.00 0.00 C ATOM 1005 C ARG A 67 -16.905 -3.588 -2.591 1.00 0.00 C ATOM 1006 O ARG A 67 -16.180 -4.370 -2.010 1.00 0.00 O ATOM 1007 CB ARG A 67 -19.318 -3.294 -2.014 1.00 0.00 C ATOM 1008 CG ARG A 67 -20.345 -2.323 -1.429 1.00 0.00 C ATOM 1009 CD ARG A 67 -21.086 -1.617 -2.565 1.00 0.00 C ATOM 1010 NE ARG A 67 -22.472 -2.152 -2.663 1.00 0.00 N ATOM 1011 CZ ARG A 67 -23.414 -1.667 -1.901 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -23.621 -2.174 -0.717 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -24.149 -0.675 -2.323 1.00 0.00 N ATOM 0 H ARG A 67 -18.782 -0.905 -2.532 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.654 -2.718 -0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.519 -3.458 -3.073 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.396 -4.263 -1.521 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -21.053 -2.862 -0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -19.847 -1.590 -0.794 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -21.112 -0.542 -2.384 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -20.559 -1.769 -3.507 1.00 0.00 H new ATOM 0 HE ARG A 67 -22.685 -2.898 -3.326 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -23.047 -2.949 -0.387 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -24.357 -1.795 -0.121 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -23.987 -0.278 -3.249 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -24.885 -0.296 -1.727 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.860 -3.460 -3.889 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.911 -4.277 -4.689 1.00 0.00 C ATOM 1029 C ALA A 68 -14.473 -3.998 -4.242 1.00 0.00 C ATOM 1030 O ALA A 68 -13.656 -4.893 -4.156 1.00 0.00 O ATOM 1031 CB ALA A 68 -16.060 -3.924 -6.169 1.00 0.00 C ATOM 0 H ALA A 68 -17.443 -2.821 -4.430 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.134 -5.333 -4.538 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -15.365 -4.522 -6.758 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -17.080 -4.131 -6.492 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.842 -2.866 -6.315 1.00 0.00 H new ATOM 1037 N ASP A 69 -14.156 -2.763 -3.963 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.769 -2.428 -3.530 1.00 0.00 C ATOM 1039 C ASP A 69 -12.330 -3.383 -2.418 1.00 0.00 C ATOM 1040 O ASP A 69 -11.154 -3.585 -2.191 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.730 -0.989 -3.011 1.00 0.00 C ATOM 1042 CG ASP A 69 -12.559 -0.026 -4.187 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -13.441 0.014 -5.028 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -11.548 0.656 -4.226 1.00 0.00 O ATOM 0 H ASP A 69 -14.797 -1.971 -4.016 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.093 -2.528 -4.379 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.649 -0.761 -2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.908 -0.868 -2.306 1.00 0.00 H new ATOM 1049 N SER A 70 -13.263 -3.972 -1.723 1.00 0.00 N ATOM 1050 CA SER A 70 -12.893 -4.912 -0.627 1.00 0.00 C ATOM 1051 C SER A 70 -11.853 -5.909 -1.142 1.00 0.00 C ATOM 1052 O SER A 70 -12.175 -6.850 -1.840 1.00 0.00 O ATOM 1053 CB SER A 70 -14.138 -5.670 -0.164 1.00 0.00 C ATOM 1054 OG SER A 70 -15.091 -4.744 0.339 1.00 0.00 O ATOM 0 H SER A 70 -14.265 -3.844 -1.866 1.00 0.00 H new ATOM 0 HA SER A 70 -12.477 -4.350 0.209 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.564 -6.234 -0.994 1.00 0.00 H new ATOM 0 HB3 SER A 70 -13.872 -6.392 0.608 1.00 0.00 H new ATOM 0 HG SER A 70 -15.784 -4.589 -0.336 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.607 -5.712 -0.807 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.554 -6.652 -1.284 1.00 0.00 C ATOM 1062 C GLY A 71 -8.372 -6.652 -0.311 1.00 0.00 C ATOM 1063 O GLY A 71 -8.335 -5.901 0.648 1.00 0.00 O ATOM 0 H GLY A 71 -10.274 -4.943 -0.225 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.965 -7.658 -1.370 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.217 -6.359 -2.278 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.400 -7.488 -0.556 1.00 0.00 N ATOM 1068 CA ASN A 72 -6.215 -7.540 0.343 1.00 0.00 C ATOM 1069 C ASN A 72 -5.102 -6.685 -0.257 1.00 0.00 C ATOM 1070 O ASN A 72 -4.339 -7.135 -1.088 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.736 -8.987 0.477 1.00 0.00 C ATOM 1072 CG ASN A 72 -6.842 -9.836 1.106 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -7.934 -9.920 0.579 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -6.605 -10.473 2.220 1.00 0.00 N ATOM 0 H ASN A 72 -7.377 -8.138 -1.342 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.482 -7.160 1.329 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -5.470 -9.385 -0.502 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.837 -9.028 1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.336 -11.041 2.648 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.689 -10.403 2.663 1.00 0.00 H new ATOM 1081 N TYR A 73 -5.000 -5.454 0.154 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.938 -4.577 -0.400 1.00 0.00 C ATOM 1083 C TYR A 73 -2.595 -4.981 0.202 1.00 0.00 C ATOM 1084 O TYR A 73 -2.345 -4.787 1.373 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.260 -3.118 -0.062 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.316 -2.618 -1.020 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.488 -3.359 -1.220 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.116 -1.426 -1.723 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.459 -2.905 -2.121 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.085 -0.975 -2.629 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.256 -1.714 -2.826 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.211 -1.269 -3.718 1.00 0.00 O ATOM 0 H TYR A 73 -5.606 -5.019 0.849 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.888 -4.683 -1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.614 -3.038 0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.361 -2.506 -0.138 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.643 -4.281 -0.679 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.214 -0.853 -1.568 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.364 -3.474 -2.272 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -5.928 -0.057 -3.175 1.00 0.00 H new ATOM 0 HH TYR A 73 -8.418 -0.329 -3.533 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.731 -5.553 -0.589 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.407 -5.981 -0.058 1.00 0.00 C ATOM 1104 C LYS A 74 0.692 -5.154 -0.719 1.00 0.00 C ATOM 1105 O LYS A 74 0.911 -5.239 -1.907 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.188 -7.465 -0.367 1.00 0.00 C ATOM 1107 CG LYS A 74 1.279 -7.829 -0.128 1.00 0.00 C ATOM 1108 CD LYS A 74 1.628 -7.605 1.345 1.00 0.00 C ATOM 1109 CE LYS A 74 2.286 -8.864 1.912 1.00 0.00 C ATOM 1110 NZ LYS A 74 1.340 -10.010 1.802 1.00 0.00 N ATOM 0 H LYS A 74 -1.884 -5.743 -1.579 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.379 -5.829 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.832 -8.077 0.264 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.461 -7.676 -1.401 1.00 0.00 H new ATOM 0 HG2 LYS A 74 1.455 -8.870 -0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.924 -7.220 -0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.302 -6.754 1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.727 -7.367 1.911 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.205 -9.083 1.368 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.562 -8.705 2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.436 -10.621 2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 0.365 -9.651 1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.558 -10.559 0.946 1.00 0.00 H new ATOM 1124 N LEU A 75 1.381 -4.353 0.040 1.00 0.00 N ATOM 1125 CA LEU A 75 2.463 -3.519 -0.551 1.00 0.00 C ATOM 1126 C LEU A 75 3.813 -4.193 -0.306 1.00 0.00 C ATOM 1127 O LEU A 75 4.048 -4.773 0.732 1.00 0.00 O ATOM 1128 CB LEU A 75 2.439 -2.136 0.108 1.00 0.00 C ATOM 1129 CG LEU A 75 3.722 -1.369 -0.216 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.408 -0.211 -1.159 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.313 -0.815 1.081 1.00 0.00 C ATOM 0 H LEU A 75 1.243 -4.239 1.044 1.00 0.00 H new ATOM 0 HA LEU A 75 2.310 -3.412 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.573 -1.574 -0.243 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.334 -2.242 1.188 1.00 0.00 H new ATOM 0 HG LEU A 75 4.435 -2.040 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.325 0.332 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.978 -0.600 -2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.696 0.463 -0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.228 -0.267 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.594 -0.145 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.539 -1.638 1.759 1.00 0.00 H new ATOM 1143 N LYS A 76 4.703 -4.116 -1.256 1.00 0.00 N ATOM 1144 CA LYS A 76 6.040 -4.749 -1.076 1.00 0.00 C ATOM 1145 C LYS A 76 7.115 -3.843 -1.676 1.00 0.00 C ATOM 1146 O LYS A 76 7.206 -3.690 -2.877 1.00 0.00 O ATOM 1147 CB LYS A 76 6.070 -6.105 -1.785 1.00 0.00 C ATOM 1148 CG LYS A 76 5.321 -6.014 -3.117 1.00 0.00 C ATOM 1149 CD LYS A 76 4.166 -7.017 -3.123 1.00 0.00 C ATOM 1150 CE LYS A 76 4.723 -8.436 -2.989 1.00 0.00 C ATOM 1151 NZ LYS A 76 3.610 -9.420 -3.105 1.00 0.00 N ATOM 0 H LYS A 76 4.563 -3.643 -2.149 1.00 0.00 H new ATOM 0 HA LYS A 76 6.230 -4.892 -0.012 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.102 -6.412 -1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.613 -6.866 -1.152 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.940 -5.003 -3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.001 -6.221 -3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.481 -6.804 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.595 -6.925 -4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.468 -8.620 -3.763 1.00 0.00 H new ATOM 0 HE3 LYS A 76 5.226 -8.551 -2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.988 -10.384 -3.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.915 -9.248 -2.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.149 -9.315 -4.031 1.00 0.00 H new ATOM 1165 N VAL A 77 7.939 -3.247 -0.857 1.00 0.00 N ATOM 1166 CA VAL A 77 9.003 -2.363 -1.404 1.00 0.00 C ATOM 1167 C VAL A 77 10.346 -3.087 -1.308 1.00 0.00 C ATOM 1168 O VAL A 77 10.489 -4.046 -0.577 1.00 0.00 O ATOM 1169 CB VAL A 77 9.032 -1.036 -0.628 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.604 -0.647 -0.243 1.00 0.00 C ATOM 1171 CG2 VAL A 77 9.873 -1.170 0.647 1.00 0.00 C ATOM 0 H VAL A 77 7.921 -3.334 0.159 1.00 0.00 H new ATOM 0 HA VAL A 77 8.799 -2.134 -2.450 1.00 0.00 H new ATOM 0 HB VAL A 77 9.476 -0.271 -1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.619 0.294 0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.003 -0.530 -1.145 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.171 -1.427 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.880 -0.219 1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.444 -1.942 1.286 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.894 -1.445 0.382 1.00 0.00 H new ATOM 1181 N LYS A 78 11.326 -2.657 -2.053 1.00 0.00 N ATOM 1182 CA LYS A 78 12.638 -3.354 -2.002 1.00 0.00 C ATOM 1183 C LYS A 78 13.769 -2.393 -2.375 1.00 0.00 C ATOM 1184 O LYS A 78 13.552 -1.327 -2.920 1.00 0.00 O ATOM 1185 CB LYS A 78 12.616 -4.527 -2.988 1.00 0.00 C ATOM 1186 CG LYS A 78 14.039 -5.036 -3.228 1.00 0.00 C ATOM 1187 CD LYS A 78 13.996 -6.261 -4.144 1.00 0.00 C ATOM 1188 CE LYS A 78 13.806 -5.809 -5.594 1.00 0.00 C ATOM 1189 NZ LYS A 78 12.649 -6.532 -6.193 1.00 0.00 N ATOM 0 H LYS A 78 11.275 -1.861 -2.689 1.00 0.00 H new ATOM 0 HA LYS A 78 12.811 -3.718 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.995 -5.332 -2.595 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.170 -4.212 -3.931 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.646 -4.252 -3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.509 -5.295 -2.279 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.919 -6.832 -4.048 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.181 -6.921 -3.848 1.00 0.00 H new ATOM 0 HE2 LYS A 78 13.635 -4.733 -5.631 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.710 -6.008 -6.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 12.520 -6.225 -7.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.830 -7.556 -6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.788 -6.321 -5.649 1.00 0.00 H new ATOM 1203 N ASN A 79 14.977 -2.786 -2.083 1.00 0.00 N ATOM 1204 CA ASN A 79 16.161 -1.945 -2.405 1.00 0.00 C ATOM 1205 C ASN A 79 17.407 -2.823 -2.299 1.00 0.00 C ATOM 1206 O ASN A 79 17.588 -3.533 -1.331 1.00 0.00 O ATOM 1207 CB ASN A 79 16.260 -0.785 -1.411 1.00 0.00 C ATOM 1208 CG ASN A 79 16.806 0.453 -2.125 1.00 0.00 C ATOM 1209 OD1 ASN A 79 16.362 1.556 -1.879 1.00 0.00 O ATOM 1210 ND2 ASN A 79 17.758 0.317 -3.007 1.00 0.00 N ATOM 0 H ASN A 79 15.197 -3.671 -1.626 1.00 0.00 H new ATOM 0 HA ASN A 79 16.070 -1.534 -3.410 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.279 -0.570 -0.987 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.913 -1.057 -0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.128 1.137 -3.489 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.132 -0.609 -3.215 1.00 0.00 H new ATOM 1217 N GLU A 80 18.251 -2.798 -3.293 1.00 0.00 N ATOM 1218 CA GLU A 80 19.475 -3.649 -3.261 1.00 0.00 C ATOM 1219 C GLU A 80 20.039 -3.725 -1.841 1.00 0.00 C ATOM 1220 O GLU A 80 20.129 -2.739 -1.137 1.00 0.00 O ATOM 1221 CB GLU A 80 20.535 -3.061 -4.186 1.00 0.00 C ATOM 1222 CG GLU A 80 20.077 -3.190 -5.640 1.00 0.00 C ATOM 1223 CD GLU A 80 20.335 -1.873 -6.375 1.00 0.00 C ATOM 1224 OE1 GLU A 80 20.241 -0.835 -5.741 1.00 0.00 O ATOM 1225 OE2 GLU A 80 20.622 -1.926 -7.560 1.00 0.00 O ATOM 0 H GLU A 80 18.146 -2.223 -4.129 1.00 0.00 H new ATOM 0 HA GLU A 80 19.206 -4.652 -3.593 1.00 0.00 H new ATOM 0 HB2 GLU A 80 20.706 -2.013 -3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 80 21.483 -3.580 -4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.612 -4.003 -6.130 1.00 0.00 H new ATOM 0 HG3 GLU A 80 19.016 -3.438 -5.678 1.00 0.00 H new ATOM 1232 N LEU A 81 20.429 -4.897 -1.426 1.00 0.00 N ATOM 1233 CA LEU A 81 21.005 -5.064 -0.061 1.00 0.00 C ATOM 1234 C LEU A 81 19.905 -4.994 1.008 1.00 0.00 C ATOM 1235 O LEU A 81 20.190 -4.891 2.185 1.00 0.00 O ATOM 1236 CB LEU A 81 22.031 -3.959 0.196 1.00 0.00 C ATOM 1237 CG LEU A 81 23.210 -4.532 0.983 1.00 0.00 C ATOM 1238 CD1 LEU A 81 23.819 -5.705 0.212 1.00 0.00 C ATOM 1239 CD2 LEU A 81 24.270 -3.445 1.176 1.00 0.00 C ATOM 0 H LEU A 81 20.373 -5.753 -1.977 1.00 0.00 H new ATOM 0 HA LEU A 81 21.485 -6.041 -0.004 1.00 0.00 H new ATOM 0 HB2 LEU A 81 22.379 -3.544 -0.750 1.00 0.00 H new ATOM 0 HB3 LEU A 81 21.571 -3.143 0.753 1.00 0.00 H new ATOM 0 HG LEU A 81 22.862 -4.879 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 81 24.659 -6.113 0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 81 23.065 -6.480 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 81 24.167 -5.359 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 81 25.111 -3.852 1.737 1.00 0.00 H new ATOM 0 HD22 LEU A 81 24.617 -3.098 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 81 23.838 -2.609 1.726 1.00 0.00 H new ATOM 1251 N GLY A 82 18.654 -5.051 0.628 1.00 0.00 N ATOM 1252 CA GLY A 82 17.574 -4.989 1.661 1.00 0.00 C ATOM 1253 C GLY A 82 16.194 -5.084 1.005 1.00 0.00 C ATOM 1254 O GLY A 82 16.005 -4.700 -0.130 1.00 0.00 O ATOM 0 H GLY A 82 18.336 -5.136 -0.337 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.700 -5.803 2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.653 -4.058 2.222 1.00 0.00 H new ATOM 1258 N GLU A 83 15.222 -5.588 1.720 1.00 0.00 N ATOM 1259 CA GLU A 83 13.848 -5.704 1.148 1.00 0.00 C ATOM 1260 C GLU A 83 12.817 -5.545 2.269 1.00 0.00 C ATOM 1261 O GLU A 83 13.013 -6.014 3.373 1.00 0.00 O ATOM 1262 CB GLU A 83 13.672 -7.077 0.496 1.00 0.00 C ATOM 1263 CG GLU A 83 14.833 -7.348 -0.463 1.00 0.00 C ATOM 1264 CD GLU A 83 16.010 -7.940 0.316 1.00 0.00 C ATOM 1265 OE1 GLU A 83 15.803 -8.925 1.004 1.00 0.00 O ATOM 1266 OE2 GLU A 83 17.097 -7.397 0.210 1.00 0.00 O ATOM 0 H GLU A 83 15.321 -5.925 2.678 1.00 0.00 H new ATOM 0 HA GLU A 83 13.704 -4.926 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 83 13.633 -7.851 1.262 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.726 -7.115 -0.044 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.518 -8.037 -1.247 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.136 -6.424 -0.954 1.00 0.00 H new ATOM 1273 N ASP A 84 11.719 -4.891 1.998 1.00 0.00 N ATOM 1274 CA ASP A 84 10.685 -4.712 3.054 1.00 0.00 C ATOM 1275 C ASP A 84 9.288 -4.809 2.431 1.00 0.00 C ATOM 1276 O ASP A 84 9.111 -4.629 1.240 1.00 0.00 O ATOM 1277 CB ASP A 84 10.865 -3.348 3.716 1.00 0.00 C ATOM 1278 CG ASP A 84 11.688 -3.513 4.995 1.00 0.00 C ATOM 1279 OD1 ASP A 84 12.840 -3.902 4.888 1.00 0.00 O ATOM 1280 OD2 ASP A 84 11.154 -3.252 6.059 1.00 0.00 O ATOM 0 H ASP A 84 11.495 -4.475 1.094 1.00 0.00 H new ATOM 0 HA ASP A 84 10.794 -5.494 3.806 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.366 -2.662 3.033 1.00 0.00 H new ATOM 0 HB3 ASP A 84 9.893 -2.912 3.948 1.00 0.00 H new ATOM 1285 N GLU A 85 8.295 -5.102 3.226 1.00 0.00 N ATOM 1286 CA GLU A 85 6.914 -5.226 2.680 1.00 0.00 C ATOM 1287 C GLU A 85 5.894 -4.938 3.785 1.00 0.00 C ATOM 1288 O GLU A 85 6.074 -5.314 4.926 1.00 0.00 O ATOM 1289 CB GLU A 85 6.720 -6.654 2.150 1.00 0.00 C ATOM 1290 CG GLU A 85 5.229 -6.957 1.966 1.00 0.00 C ATOM 1291 CD GLU A 85 4.830 -8.124 2.871 1.00 0.00 C ATOM 1292 OE1 GLU A 85 5.089 -9.256 2.494 1.00 0.00 O ATOM 1293 OE2 GLU A 85 4.273 -7.867 3.925 1.00 0.00 O ATOM 0 H GLU A 85 8.381 -5.261 4.230 1.00 0.00 H new ATOM 0 HA GLU A 85 6.768 -4.509 1.872 1.00 0.00 H new ATOM 0 HB2 GLU A 85 7.241 -6.770 1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.160 -7.370 2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.635 -6.076 2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.023 -7.204 0.924 1.00 0.00 H new ATOM 1300 N ALA A 86 4.820 -4.277 3.448 1.00 0.00 N ATOM 1301 CA ALA A 86 3.779 -3.967 4.467 1.00 0.00 C ATOM 1302 C ALA A 86 2.441 -4.560 4.015 1.00 0.00 C ATOM 1303 O ALA A 86 2.075 -4.477 2.859 1.00 0.00 O ATOM 1304 CB ALA A 86 3.643 -2.450 4.613 1.00 0.00 C ATOM 0 H ALA A 86 4.619 -3.938 2.507 1.00 0.00 H new ATOM 0 HA ALA A 86 4.065 -4.397 5.427 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.881 -2.223 5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.597 -2.028 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.354 -2.017 3.655 1.00 0.00 H new ATOM 1310 N ILE A 87 1.711 -5.162 4.914 1.00 0.00 N ATOM 1311 CA ILE A 87 0.402 -5.765 4.529 1.00 0.00 C ATOM 1312 C ILE A 87 -0.719 -4.748 4.752 1.00 0.00 C ATOM 1313 O ILE A 87 -0.654 -3.922 5.641 1.00 0.00 O ATOM 1314 CB ILE A 87 0.137 -7.007 5.385 1.00 0.00 C ATOM 1315 CG1 ILE A 87 1.467 -7.674 5.747 1.00 0.00 C ATOM 1316 CG2 ILE A 87 -0.727 -7.994 4.599 1.00 0.00 C ATOM 1317 CD1 ILE A 87 1.905 -7.215 7.139 1.00 0.00 C ATOM 0 H ILE A 87 1.963 -5.263 5.897 1.00 0.00 H new ATOM 0 HA ILE A 87 0.433 -6.047 3.477 1.00 0.00 H new ATOM 0 HB ILE A 87 -0.383 -6.713 6.297 1.00 0.00 H new ATOM 0 HG12 ILE A 87 1.360 -8.759 5.727 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.228 -7.415 5.011 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.916 -8.878 5.208 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.675 -7.522 4.341 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.207 -8.286 3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 87 2.852 -7.689 7.397 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.029 -6.132 7.143 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.147 -7.496 7.870 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.750 -4.802 3.952 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.876 -3.840 4.119 1.00 0.00 C ATOM 1331 C PHE A 88 -4.187 -4.498 3.680 1.00 0.00 C ATOM 1332 O PHE A 88 -4.574 -4.432 2.529 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.621 -2.594 3.264 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.386 -1.884 3.763 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -1.476 -1.003 4.847 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -0.150 -2.112 3.147 1.00 0.00 C ATOM 1337 CE1 PHE A 88 -0.330 -0.351 5.316 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.996 -1.458 3.614 1.00 0.00 C ATOM 1339 CZ PHE A 88 0.906 -0.578 4.700 1.00 0.00 C ATOM 0 H PHE A 88 -1.861 -5.471 3.190 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.948 -3.553 5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.493 -2.877 2.219 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.481 -1.926 3.310 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -2.430 -0.826 5.321 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -0.081 -2.793 2.311 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.399 0.327 6.153 1.00 0.00 H new ATOM 0 HE2 PHE A 88 1.949 -1.632 3.137 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.790 -0.075 5.062 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.885 -5.120 4.590 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.178 -5.761 4.222 1.00 0.00 C ATOM 1351 C GLU A 89 -7.242 -4.669 4.152 1.00 0.00 C ATOM 1352 O GLU A 89 -7.616 -4.096 5.153 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.564 -6.790 5.288 1.00 0.00 C ATOM 1354 CG GLU A 89 -7.723 -7.647 4.776 1.00 0.00 C ATOM 1355 CD GLU A 89 -7.260 -9.097 4.626 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -6.061 -9.320 4.653 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -8.111 -9.959 4.488 1.00 0.00 O ATOM 0 H GLU A 89 -4.617 -5.212 5.570 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.091 -6.268 3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.708 -7.422 5.525 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.852 -6.284 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.563 -7.592 5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.075 -7.266 3.817 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.716 -4.353 2.979 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.730 -3.270 2.868 1.00 0.00 C ATOM 1366 C VAL A 90 -10.123 -3.860 2.664 1.00 0.00 C ATOM 1367 O VAL A 90 -10.346 -4.673 1.790 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.373 -2.371 1.684 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -9.265 -1.127 1.695 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.907 -1.947 1.798 1.00 0.00 C ATOM 0 H VAL A 90 -7.447 -4.794 2.100 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.733 -2.688 3.790 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.527 -2.917 0.753 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.009 -0.488 0.850 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.310 -1.428 1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.113 -0.578 2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.647 -1.306 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.758 -1.401 2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.271 -2.832 1.790 1.00 0.00 H new ATOM 1380 N ILE A 91 -11.067 -3.441 3.462 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.452 -3.959 3.312 1.00 0.00 C ATOM 1382 C ILE A 91 -13.395 -2.787 3.045 1.00 0.00 C ATOM 1383 O ILE A 91 -13.041 -1.638 3.230 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.884 -4.674 4.591 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -12.125 -5.998 4.719 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.385 -4.950 4.520 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -12.604 -6.967 3.636 1.00 0.00 C ATOM 0 H ILE A 91 -10.936 -2.762 4.211 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.487 -4.664 2.481 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.663 -4.050 5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -11.053 -5.826 4.620 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -12.289 -6.429 5.706 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.704 -5.461 5.429 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.924 -4.007 4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.599 -5.579 3.656 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -12.064 -7.910 3.727 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -13.672 -7.148 3.756 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -12.417 -6.535 2.653 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.591 -3.064 2.604 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.544 -1.962 2.316 1.00 0.00 C ATOM 1401 C VAL A 92 -16.898 -2.257 2.962 1.00 0.00 C ATOM 1402 O VAL A 92 -17.357 -3.382 2.983 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.705 -1.839 0.806 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.450 -0.547 0.466 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -14.316 -1.819 0.170 1.00 0.00 C ATOM 0 H VAL A 92 -14.947 -4.004 2.432 1.00 0.00 H new ATOM 0 HA VAL A 92 -15.162 -1.027 2.726 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.278 -2.683 0.423 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.562 -0.465 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.435 -0.561 0.933 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.885 0.308 0.838 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.413 -1.731 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.752 -0.969 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.791 -2.743 0.414 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.540 -1.252 3.491 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.864 -1.469 4.138 1.00 0.00 C ATOM 1417 C GLN A 93 -19.977 -1.057 3.172 1.00 0.00 C ATOM 1418 O GLN A 93 -21.095 -1.509 3.361 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.954 -0.623 5.410 1.00 0.00 C ATOM 1420 CG GLN A 93 -19.885 -1.305 6.414 1.00 0.00 C ATOM 1421 CD GLN A 93 -21.266 -0.650 6.356 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -22.219 -1.223 5.673 1.00 0.00 O flip ATOM 1423 NE2 GLN A 93 -21.480 0.395 6.938 1.00 0.00 N flip ATOM 1424 OXT GLN A 93 -19.693 -0.298 2.261 1.00 0.00 O ATOM 0 H GLN A 93 -17.204 -0.289 3.503 1.00 0.00 H new ATOM 0 HA GLN A 93 -18.976 -2.523 4.393 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -17.963 -0.496 5.846 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -19.327 0.373 5.171 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -19.965 -2.368 6.187 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -19.474 -1.224 7.420 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -20.735 0.843 7.472 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -22.404 0.824 6.893 1.00 0.00 H new