USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 523 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 NoAdj-H: A 52 HIS HD1 : A 52 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 58 HIS HE2 : A 58 HIS NE2 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 55 SER OG : rot -105:sc= 0.169 USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.678 USER MOD Set 1.3: A 65 LYS NZ :NH3+ -103:sc= 0.949 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.108 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 8:sc= 0.108 USER MOD Single : A 5 SER OG : rot 4:sc= 0.257 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 29:sc= 0.504 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 16:sc= 0.00265 USER MOD Single : A 12 GLN : amide:sc= -0.167 K(o=-0.17,f=-3.2!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.735) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -2.12! C(o=-2.1!,f=-2.9!) USER MOD Single : A 30 MET CE :methyl 171:sc= -0.75 (180deg=-1.03) USER MOD Single : A 33 LYS NZ :NH3+ 134:sc= 1.27 (180deg=0.296) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc=-0.00649 (180deg=-0.122) USER MOD Single : A 38 THR OG1 : rot -22:sc= 1.01 USER MOD Single : A 46 ASN : amide:sc= -2.9 X(o=-2.9,f=-3) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.703 49.957 23.638 1.00 0.00 N ATOM 2 CA GLY A 1 27.324 48.558 23.567 1.00 0.00 C ATOM 3 C GLY A 1 28.269 47.744 22.706 1.00 0.00 C ATOM 4 O GLY A 1 29.285 48.254 22.235 1.00 0.00 O ATOM 0 H1 GLY A 1 27.840 50.230 24.632 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.589 50.104 23.114 1.00 0.00 H new ATOM 0 H3 GLY A 1 26.952 50.542 23.219 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.302 48.139 24.573 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.313 48.479 23.167 1.00 0.00 H new ATOM 8 N SER A 2 27.934 46.474 22.500 1.00 0.00 N ATOM 9 CA SER A 2 28.763 45.586 21.693 1.00 0.00 C ATOM 10 C SER A 2 27.913 44.515 21.016 1.00 0.00 C ATOM 11 O SER A 2 27.159 43.799 21.674 1.00 0.00 O ATOM 12 CB SER A 2 29.837 44.928 22.562 1.00 0.00 C ATOM 13 OG SER A 2 30.645 44.051 21.796 1.00 0.00 O ATOM 0 H SER A 2 27.095 46.037 22.881 1.00 0.00 H new ATOM 0 HA SER A 2 29.247 46.183 20.920 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.461 45.696 23.019 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.364 44.376 23.374 1.00 0.00 H new ATOM 0 HG SER A 2 31.325 43.644 22.373 1.00 0.00 H new ATOM 19 N SER A 3 28.042 44.413 19.697 1.00 0.00 N ATOM 20 CA SER A 3 27.284 43.432 18.929 1.00 0.00 C ATOM 21 C SER A 3 28.107 42.904 17.759 1.00 0.00 C ATOM 22 O SER A 3 29.023 43.571 17.278 1.00 0.00 O ATOM 23 CB SER A 3 25.983 44.052 18.414 1.00 0.00 C ATOM 24 OG SER A 3 25.024 44.161 19.452 1.00 0.00 O ATOM 0 H SER A 3 28.664 44.997 19.138 1.00 0.00 H new ATOM 0 HA SER A 3 27.045 42.597 19.588 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.187 45.039 17.998 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.581 43.442 17.606 1.00 0.00 H new ATOM 0 HG SER A 3 25.441 43.931 20.308 1.00 0.00 H new ATOM 30 N GLY A 4 27.774 41.700 17.305 1.00 0.00 N ATOM 31 CA GLY A 4 28.492 41.101 16.194 1.00 0.00 C ATOM 32 C GLY A 4 27.634 40.133 15.404 1.00 0.00 C ATOM 33 O GLY A 4 27.139 39.145 15.947 1.00 0.00 O ATOM 0 H GLY A 4 27.020 41.128 17.686 1.00 0.00 H new ATOM 0 HA2 GLY A 4 28.851 41.888 15.531 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.370 40.578 16.573 1.00 0.00 H new ATOM 37 N SER A 5 27.456 40.417 14.118 1.00 0.00 N ATOM 38 CA SER A 5 26.647 39.567 13.252 1.00 0.00 C ATOM 39 C SER A 5 27.102 39.680 11.800 1.00 0.00 C ATOM 40 O SER A 5 27.029 40.750 11.197 1.00 0.00 O ATOM 41 CB SER A 5 25.169 39.945 13.366 1.00 0.00 C ATOM 42 OG SER A 5 24.658 39.623 14.648 1.00 0.00 O ATOM 0 H SER A 5 27.861 41.229 13.653 1.00 0.00 H new ATOM 0 HA SER A 5 26.776 38.534 13.576 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.048 41.012 13.180 1.00 0.00 H new ATOM 0 HB3 SER A 5 24.596 39.421 12.601 1.00 0.00 H new ATOM 0 HG SER A 5 25.383 39.281 15.213 1.00 0.00 H new ATOM 48 N SER A 6 27.572 38.567 11.246 1.00 0.00 N ATOM 49 CA SER A 6 28.044 38.541 9.866 1.00 0.00 C ATOM 50 C SER A 6 27.603 37.259 9.166 1.00 0.00 C ATOM 51 O SER A 6 28.110 36.176 9.452 1.00 0.00 O ATOM 52 CB SER A 6 29.568 38.661 9.823 1.00 0.00 C ATOM 53 OG SER A 6 30.031 38.812 8.492 1.00 0.00 O ATOM 0 H SER A 6 27.636 37.672 11.731 1.00 0.00 H new ATOM 0 HA SER A 6 27.606 39.390 9.342 1.00 0.00 H new ATOM 0 HB2 SER A 6 29.886 39.515 10.421 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.018 37.774 10.270 1.00 0.00 H new ATOM 0 HG SER A 6 31.008 38.888 8.492 1.00 0.00 H new ATOM 59 N GLY A 7 26.653 37.392 8.244 1.00 0.00 N ATOM 60 CA GLY A 7 26.159 36.238 7.517 1.00 0.00 C ATOM 61 C GLY A 7 24.927 35.632 8.159 1.00 0.00 C ATOM 62 O GLY A 7 24.143 36.316 8.816 1.00 0.00 O ATOM 0 H GLY A 7 26.218 38.278 7.988 1.00 0.00 H new ATOM 0 HA2 GLY A 7 25.925 36.530 6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 7 26.944 35.484 7.462 1.00 0.00 H new ATOM 66 N PRO A 8 24.743 34.317 7.970 1.00 0.00 N ATOM 67 CA PRO A 8 25.669 33.492 7.189 1.00 0.00 C ATOM 68 C PRO A 8 25.617 33.813 5.699 1.00 0.00 C ATOM 69 O PRO A 8 24.905 34.723 5.275 1.00 0.00 O ATOM 70 CB PRO A 8 25.177 32.065 7.446 1.00 0.00 C ATOM 71 CG PRO A 8 23.734 32.218 7.785 1.00 0.00 C ATOM 72 CD PRO A 8 23.615 33.534 8.503 1.00 0.00 C ATOM 0 HA PRO A 8 26.706 33.659 7.479 1.00 0.00 H new ATOM 0 HB2 PRO A 8 25.313 31.435 6.567 1.00 0.00 H new ATOM 0 HB3 PRO A 8 25.728 31.597 8.262 1.00 0.00 H new ATOM 0 HG2 PRO A 8 23.118 32.207 6.886 1.00 0.00 H new ATOM 0 HG3 PRO A 8 23.392 31.397 8.415 1.00 0.00 H new ATOM 0 HD2 PRO A 8 22.659 34.017 8.300 1.00 0.00 H new ATOM 0 HD3 PRO A 8 23.687 33.410 9.584 1.00 0.00 H new ATOM 80 N SER A 9 26.376 33.060 4.909 1.00 0.00 N ATOM 81 CA SER A 9 26.418 33.267 3.466 1.00 0.00 C ATOM 82 C SER A 9 26.871 31.999 2.748 1.00 0.00 C ATOM 83 O SER A 9 28.013 31.564 2.894 1.00 0.00 O ATOM 84 CB SER A 9 27.359 34.424 3.124 1.00 0.00 C ATOM 85 OG SER A 9 26.676 35.665 3.160 1.00 0.00 O ATOM 0 H SER A 9 26.970 32.301 5.244 1.00 0.00 H new ATOM 0 HA SER A 9 25.411 33.514 3.129 1.00 0.00 H new ATOM 0 HB2 SER A 9 28.190 34.442 3.830 1.00 0.00 H new ATOM 0 HB3 SER A 9 27.786 34.269 2.133 1.00 0.00 H new ATOM 0 HG SER A 9 25.938 35.614 3.803 1.00 0.00 H new ATOM 91 N SER A 10 25.966 31.412 1.972 1.00 0.00 N ATOM 92 CA SER A 10 26.269 30.191 1.234 1.00 0.00 C ATOM 93 C SER A 10 26.093 30.406 -0.266 1.00 0.00 C ATOM 94 O SER A 10 25.114 31.008 -0.707 1.00 0.00 O ATOM 95 CB SER A 10 25.369 29.047 1.706 1.00 0.00 C ATOM 96 OG SER A 10 25.733 27.825 1.088 1.00 0.00 O ATOM 0 H SER A 10 25.017 31.762 1.838 1.00 0.00 H new ATOM 0 HA SER A 10 27.309 29.928 1.427 1.00 0.00 H new ATOM 0 HB2 SER A 10 25.441 28.946 2.789 1.00 0.00 H new ATOM 0 HB3 SER A 10 24.329 29.279 1.476 1.00 0.00 H new ATOM 0 HG SER A 10 25.145 27.109 1.407 1.00 0.00 H new ATOM 102 N SER A 11 27.048 29.909 -1.045 1.00 0.00 N ATOM 103 CA SER A 11 27.002 30.049 -2.496 1.00 0.00 C ATOM 104 C SER A 11 27.453 28.763 -3.181 1.00 0.00 C ATOM 105 O SER A 11 28.538 28.251 -2.908 1.00 0.00 O ATOM 106 CB SER A 11 27.883 31.216 -2.945 1.00 0.00 C ATOM 107 OG SER A 11 27.235 32.458 -2.730 1.00 0.00 O ATOM 0 H SER A 11 27.863 29.406 -0.696 1.00 0.00 H new ATOM 0 HA SER A 11 25.970 30.250 -2.784 1.00 0.00 H new ATOM 0 HB2 SER A 11 28.826 31.195 -2.398 1.00 0.00 H new ATOM 0 HB3 SER A 11 28.125 31.107 -4.002 1.00 0.00 H new ATOM 0 HG SER A 11 26.476 32.330 -2.123 1.00 0.00 H new ATOM 113 N GLN A 12 26.611 28.247 -4.071 1.00 0.00 N ATOM 114 CA GLN A 12 26.923 27.020 -4.794 1.00 0.00 C ATOM 115 C GLN A 12 26.423 27.095 -6.233 1.00 0.00 C ATOM 116 O GLN A 12 25.476 27.820 -6.535 1.00 0.00 O ATOM 117 CB GLN A 12 26.301 25.814 -4.088 1.00 0.00 C ATOM 118 CG GLN A 12 26.872 25.560 -2.702 1.00 0.00 C ATOM 119 CD GLN A 12 28.187 24.807 -2.742 1.00 0.00 C ATOM 120 OE1 GLN A 12 29.066 25.113 -3.548 1.00 0.00 O ATOM 121 NE2 GLN A 12 28.329 23.815 -1.870 1.00 0.00 N ATOM 0 H GLN A 12 25.709 28.659 -4.308 1.00 0.00 H new ATOM 0 HA GLN A 12 28.007 26.903 -4.810 1.00 0.00 H new ATOM 0 HB2 GLN A 12 25.225 25.966 -4.006 1.00 0.00 H new ATOM 0 HB3 GLN A 12 26.451 24.926 -4.702 1.00 0.00 H new ATOM 0 HG2 GLN A 12 27.019 26.513 -2.193 1.00 0.00 H new ATOM 0 HG3 GLN A 12 26.150 24.993 -2.114 1.00 0.00 H new ATOM 0 HE21 GLN A 12 27.574 23.596 -1.220 1.00 0.00 H new ATOM 0 HE22 GLN A 12 29.193 23.273 -1.851 1.00 0.00 H new ATOM 130 N SER A 13 27.067 26.340 -7.118 1.00 0.00 N ATOM 131 CA SER A 13 26.690 26.324 -8.526 1.00 0.00 C ATOM 132 C SER A 13 25.396 25.543 -8.734 1.00 0.00 C ATOM 133 O SER A 13 25.130 24.566 -8.035 1.00 0.00 O ATOM 134 CB SER A 13 27.810 25.710 -9.369 1.00 0.00 C ATOM 135 OG SER A 13 27.472 25.710 -10.745 1.00 0.00 O ATOM 0 H SER A 13 27.852 25.732 -6.884 1.00 0.00 H new ATOM 0 HA SER A 13 26.528 27.354 -8.844 1.00 0.00 H new ATOM 0 HB2 SER A 13 28.732 26.271 -9.218 1.00 0.00 H new ATOM 0 HB3 SER A 13 28.000 24.689 -9.038 1.00 0.00 H new ATOM 0 HG SER A 13 28.205 25.314 -11.262 1.00 0.00 H new ATOM 141 N GLU A 14 24.596 25.982 -9.700 1.00 0.00 N ATOM 142 CA GLU A 14 23.329 25.325 -9.999 1.00 0.00 C ATOM 143 C GLU A 14 23.545 24.108 -10.895 1.00 0.00 C ATOM 144 O GLU A 14 23.895 24.243 -12.067 1.00 0.00 O ATOM 145 CB GLU A 14 22.367 26.305 -10.675 1.00 0.00 C ATOM 146 CG GLU A 14 21.915 27.437 -9.768 1.00 0.00 C ATOM 147 CD GLU A 14 21.422 28.644 -10.543 1.00 0.00 C ATOM 148 OE1 GLU A 14 22.266 29.458 -10.973 1.00 0.00 O ATOM 149 OE2 GLU A 14 20.193 28.774 -10.719 1.00 0.00 O ATOM 0 H GLU A 14 24.802 26.789 -10.289 1.00 0.00 H new ATOM 0 HA GLU A 14 22.893 24.990 -9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 14 22.851 26.727 -11.555 1.00 0.00 H new ATOM 0 HB3 GLU A 14 21.491 25.759 -11.024 1.00 0.00 H new ATOM 0 HG2 GLU A 14 21.119 27.079 -9.115 1.00 0.00 H new ATOM 0 HG3 GLU A 14 22.743 27.736 -9.126 1.00 0.00 H new ATOM 156 N GLU A 15 23.335 22.922 -10.333 1.00 0.00 N ATOM 157 CA GLU A 15 23.508 21.682 -11.080 1.00 0.00 C ATOM 158 C GLU A 15 22.404 20.685 -10.743 1.00 0.00 C ATOM 159 O GLU A 15 22.294 20.223 -9.607 1.00 0.00 O ATOM 160 CB GLU A 15 24.876 21.066 -10.778 1.00 0.00 C ATOM 161 CG GLU A 15 25.975 21.533 -11.718 1.00 0.00 C ATOM 162 CD GLU A 15 25.852 20.929 -13.104 1.00 0.00 C ATOM 163 OE1 GLU A 15 24.775 21.073 -13.720 1.00 0.00 O ATOM 164 OE2 GLU A 15 26.832 20.314 -13.573 1.00 0.00 O ATOM 0 H GLU A 15 23.045 22.794 -9.364 1.00 0.00 H new ATOM 0 HA GLU A 15 23.449 21.917 -12.143 1.00 0.00 H new ATOM 0 HB2 GLU A 15 25.157 21.311 -9.754 1.00 0.00 H new ATOM 0 HB3 GLU A 15 24.797 19.980 -10.836 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.945 22.620 -11.795 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.945 21.270 -11.296 1.00 0.00 H new ATOM 171 N LYS A 16 21.586 20.357 -11.738 1.00 0.00 N ATOM 172 CA LYS A 16 20.490 19.415 -11.550 1.00 0.00 C ATOM 173 C LYS A 16 20.829 18.057 -12.157 1.00 0.00 C ATOM 174 O LYS A 16 21.808 17.922 -12.890 1.00 0.00 O ATOM 175 CB LYS A 16 19.207 19.961 -12.180 1.00 0.00 C ATOM 176 CG LYS A 16 19.244 20.002 -13.698 1.00 0.00 C ATOM 177 CD LYS A 16 17.935 20.514 -14.275 1.00 0.00 C ATOM 178 CE LYS A 16 17.934 22.031 -14.393 1.00 0.00 C ATOM 179 NZ LYS A 16 16.758 22.527 -15.159 1.00 0.00 N ATOM 0 H LYS A 16 21.662 20.731 -12.684 1.00 0.00 H new ATOM 0 HA LYS A 16 20.335 19.286 -10.479 1.00 0.00 H new ATOM 0 HB2 LYS A 16 18.366 19.345 -11.862 1.00 0.00 H new ATOM 0 HB3 LYS A 16 19.026 20.967 -11.802 1.00 0.00 H new ATOM 0 HG2 LYS A 16 20.062 20.643 -14.026 1.00 0.00 H new ATOM 0 HG3 LYS A 16 19.447 19.003 -14.085 1.00 0.00 H new ATOM 0 HD2 LYS A 16 17.771 20.071 -15.258 1.00 0.00 H new ATOM 0 HD3 LYS A 16 17.107 20.197 -13.640 1.00 0.00 H new ATOM 0 HE2 LYS A 16 17.931 22.473 -13.397 1.00 0.00 H new ATOM 0 HE3 LYS A 16 18.851 22.358 -14.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.794 23.565 -15.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.774 22.126 -16.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.883 22.237 -14.678 1.00 0.00 H new ATOM 193 N ALA A 17 20.013 17.055 -11.847 1.00 0.00 N ATOM 194 CA ALA A 17 20.226 15.709 -12.364 1.00 0.00 C ATOM 195 C ALA A 17 18.904 14.964 -12.515 1.00 0.00 C ATOM 196 O ALA A 17 18.136 14.814 -11.564 1.00 0.00 O ATOM 197 CB ALA A 17 21.169 14.936 -11.455 1.00 0.00 C ATOM 0 H ALA A 17 19.198 17.150 -11.240 1.00 0.00 H new ATOM 0 HA ALA A 17 20.681 15.794 -13.351 1.00 0.00 H new ATOM 0 HB1 ALA A 17 21.318 13.933 -11.854 1.00 0.00 H new ATOM 0 HB2 ALA A 17 22.128 15.452 -11.402 1.00 0.00 H new ATOM 0 HB3 ALA A 17 20.738 14.869 -10.456 1.00 0.00 H new ATOM 203 N PRO A 18 18.629 14.485 -13.737 1.00 0.00 N ATOM 204 CA PRO A 18 17.399 13.747 -14.040 1.00 0.00 C ATOM 205 C PRO A 18 17.374 12.369 -13.388 1.00 0.00 C ATOM 206 O PRO A 18 18.402 11.700 -13.291 1.00 0.00 O ATOM 207 CB PRO A 18 17.431 13.616 -15.565 1.00 0.00 C ATOM 208 CG PRO A 18 18.875 13.697 -15.922 1.00 0.00 C ATOM 209 CD PRO A 18 19.498 14.626 -14.917 1.00 0.00 C ATOM 0 HA PRO A 18 16.514 14.257 -13.660 1.00 0.00 H new ATOM 0 HB2 PRO A 18 16.995 12.671 -15.890 1.00 0.00 H new ATOM 0 HB3 PRO A 18 16.860 14.412 -16.043 1.00 0.00 H new ATOM 0 HG2 PRO A 18 19.342 12.713 -15.886 1.00 0.00 H new ATOM 0 HG3 PRO A 18 19.006 14.075 -16.936 1.00 0.00 H new ATOM 0 HD2 PRO A 18 20.527 14.345 -14.694 1.00 0.00 H new ATOM 0 HD3 PRO A 18 19.520 15.654 -15.279 1.00 0.00 H new ATOM 217 N GLU A 19 16.193 11.952 -12.942 1.00 0.00 N ATOM 218 CA GLU A 19 16.035 10.653 -12.298 1.00 0.00 C ATOM 219 C GLU A 19 14.737 9.982 -12.738 1.00 0.00 C ATOM 220 O GLU A 19 13.653 10.547 -12.594 1.00 0.00 O ATOM 221 CB GLU A 19 16.052 10.809 -10.776 1.00 0.00 C ATOM 222 CG GLU A 19 16.394 9.526 -10.037 1.00 0.00 C ATOM 223 CD GLU A 19 17.880 9.226 -10.045 1.00 0.00 C ATOM 224 OE1 GLU A 19 18.498 9.317 -11.126 1.00 0.00 O ATOM 225 OE2 GLU A 19 18.425 8.901 -8.970 1.00 0.00 O ATOM 0 H GLU A 19 15.332 12.494 -13.015 1.00 0.00 H new ATOM 0 HA GLU A 19 16.870 10.021 -12.601 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.776 11.578 -10.506 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.075 11.160 -10.444 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.048 9.602 -9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.857 8.694 -10.493 1.00 0.00 H new ATOM 232 N LEU A 20 14.857 8.773 -13.275 1.00 0.00 N ATOM 233 CA LEU A 20 13.694 8.023 -13.737 1.00 0.00 C ATOM 234 C LEU A 20 12.719 7.770 -12.591 1.00 0.00 C ATOM 235 O LEU A 20 13.090 7.761 -11.418 1.00 0.00 O ATOM 236 CB LEU A 20 14.132 6.693 -14.352 1.00 0.00 C ATOM 237 CG LEU A 20 14.724 6.767 -15.760 1.00 0.00 C ATOM 238 CD1 LEU A 20 16.231 6.960 -15.695 1.00 0.00 C ATOM 239 CD2 LEU A 20 14.379 5.513 -16.551 1.00 0.00 C ATOM 0 H LEU A 20 15.747 8.291 -13.401 1.00 0.00 H new ATOM 0 HA LEU A 20 13.187 8.618 -14.497 1.00 0.00 H new ATOM 0 HB2 LEU A 20 14.870 6.236 -13.693 1.00 0.00 H new ATOM 0 HB3 LEU A 20 13.270 6.026 -14.376 1.00 0.00 H new ATOM 0 HG LEU A 20 14.289 7.626 -16.271 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.635 7.010 -16.706 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.457 7.887 -15.167 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.683 6.121 -15.165 1.00 0.00 H new ATOM 0 HD21 LEU A 20 14.809 5.584 -17.550 1.00 0.00 H new ATOM 0 HD22 LEU A 20 14.785 4.639 -16.042 1.00 0.00 H new ATOM 0 HD23 LEU A 20 13.296 5.418 -16.628 1.00 0.00 H new ATOM 251 N PRO A 21 11.440 7.557 -12.938 1.00 0.00 N ATOM 252 CA PRO A 21 10.386 7.297 -11.954 1.00 0.00 C ATOM 253 C PRO A 21 10.536 5.932 -11.291 1.00 0.00 C ATOM 254 O PRO A 21 10.661 4.912 -11.968 1.00 0.00 O ATOM 255 CB PRO A 21 9.102 7.349 -12.786 1.00 0.00 C ATOM 256 CG PRO A 21 9.534 7.005 -14.170 1.00 0.00 C ATOM 257 CD PRO A 21 10.926 7.554 -14.318 1.00 0.00 C ATOM 0 HA PRO A 21 10.408 8.015 -11.134 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.361 6.641 -12.415 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.645 8.338 -12.748 1.00 0.00 H new ATOM 0 HG2 PRO A 21 9.521 5.926 -14.326 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.862 7.442 -14.909 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.536 6.932 -14.973 1.00 0.00 H new ATOM 0 HD3 PRO A 21 10.919 8.556 -14.747 1.00 0.00 H new ATOM 265 N LYS A 22 10.522 5.920 -9.962 1.00 0.00 N ATOM 266 CA LYS A 22 10.654 4.680 -9.206 1.00 0.00 C ATOM 267 C LYS A 22 9.305 4.234 -8.652 1.00 0.00 C ATOM 268 O LYS A 22 8.874 4.661 -7.581 1.00 0.00 O ATOM 269 CB LYS A 22 11.652 4.862 -8.060 1.00 0.00 C ATOM 270 CG LYS A 22 12.970 5.481 -8.494 1.00 0.00 C ATOM 271 CD LYS A 22 13.977 4.419 -8.904 1.00 0.00 C ATOM 272 CE LYS A 22 15.401 4.950 -8.847 1.00 0.00 C ATOM 273 NZ LYS A 22 16.405 3.862 -9.001 1.00 0.00 N ATOM 0 H LYS A 22 10.420 6.756 -9.386 1.00 0.00 H new ATOM 0 HA LYS A 22 11.022 3.909 -9.883 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.200 5.490 -7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 22 11.849 3.892 -7.603 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.797 6.161 -9.328 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.380 6.076 -7.678 1.00 0.00 H new ATOM 0 HD2 LYS A 22 13.883 3.554 -8.247 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.755 4.077 -9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.544 5.690 -9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.561 5.460 -7.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.363 4.265 -8.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 16.285 3.168 -8.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.269 3.392 -9.919 1.00 0.00 H new ATOM 287 N PRO A 23 8.621 3.353 -9.397 1.00 0.00 N ATOM 288 CA PRO A 23 7.311 2.828 -8.999 1.00 0.00 C ATOM 289 C PRO A 23 7.402 1.891 -7.799 1.00 0.00 C ATOM 290 O PRO A 23 7.424 0.670 -7.952 1.00 0.00 O ATOM 291 CB PRO A 23 6.844 2.063 -10.240 1.00 0.00 C ATOM 292 CG PRO A 23 8.099 1.686 -10.948 1.00 0.00 C ATOM 293 CD PRO A 23 9.074 2.800 -10.685 1.00 0.00 C ATOM 0 HA PRO A 23 6.631 3.621 -8.689 1.00 0.00 H new ATOM 0 HB2 PRO A 23 6.264 1.182 -9.967 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.205 2.682 -10.870 1.00 0.00 H new ATOM 0 HG2 PRO A 23 8.484 0.735 -10.580 1.00 0.00 H new ATOM 0 HG3 PRO A 23 7.923 1.566 -12.017 1.00 0.00 H new ATOM 0 HD2 PRO A 23 10.098 2.432 -10.626 1.00 0.00 H new ATOM 0 HD3 PRO A 23 9.050 3.550 -11.475 1.00 0.00 H new ATOM 301 N LYS A 24 7.456 2.471 -6.605 1.00 0.00 N ATOM 302 CA LYS A 24 7.543 1.689 -5.377 1.00 0.00 C ATOM 303 C LYS A 24 8.678 0.674 -5.459 1.00 0.00 C ATOM 304 O LYS A 24 8.534 -0.470 -5.025 1.00 0.00 O ATOM 305 CB LYS A 24 6.218 0.970 -5.112 1.00 0.00 C ATOM 306 CG LYS A 24 5.034 1.910 -4.964 1.00 0.00 C ATOM 307 CD LYS A 24 5.127 2.727 -3.687 1.00 0.00 C ATOM 308 CE LYS A 24 4.486 2.002 -2.513 1.00 0.00 C ATOM 309 NZ LYS A 24 3.005 2.153 -2.510 1.00 0.00 N ATOM 0 H LYS A 24 7.441 3.481 -6.461 1.00 0.00 H new ATOM 0 HA LYS A 24 7.749 2.372 -4.553 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.021 0.277 -5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 24 6.313 0.374 -4.205 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.990 2.580 -5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.109 1.334 -4.962 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.173 2.933 -3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.637 3.689 -3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.743 0.944 -2.556 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.893 2.391 -1.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.657 2.140 -1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.747 3.056 -2.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.575 1.369 -3.041 1.00 0.00 H new ATOM 323 N LYS A 25 9.807 1.098 -6.015 1.00 0.00 N ATOM 324 CA LYS A 25 10.969 0.228 -6.151 1.00 0.00 C ATOM 325 C LYS A 25 10.559 -1.151 -6.660 1.00 0.00 C ATOM 326 O LYS A 25 11.064 -2.170 -6.193 1.00 0.00 O ATOM 327 CB LYS A 25 11.691 0.093 -4.808 1.00 0.00 C ATOM 328 CG LYS A 25 12.714 1.187 -4.556 1.00 0.00 C ATOM 329 CD LYS A 25 13.226 1.153 -3.126 1.00 0.00 C ATOM 330 CE LYS A 25 13.748 2.513 -2.688 1.00 0.00 C ATOM 331 NZ LYS A 25 13.578 2.726 -1.224 1.00 0.00 N ATOM 0 H LYS A 25 9.942 2.041 -6.380 1.00 0.00 H new ATOM 0 HA LYS A 25 11.646 0.678 -6.877 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.953 0.105 -4.006 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.190 -0.875 -4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.550 1.070 -5.246 1.00 0.00 H new ATOM 0 HG3 LYS A 25 12.266 2.159 -4.760 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.424 0.838 -2.459 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.021 0.412 -3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.803 2.598 -2.947 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.222 3.297 -3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.946 3.664 -0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.569 2.670 -0.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.101 1.993 -0.704 1.00 0.00 H new ATOM 345 N ASN A 26 9.641 -1.173 -7.621 1.00 0.00 N ATOM 346 CA ASN A 26 9.164 -2.426 -8.194 1.00 0.00 C ATOM 347 C ASN A 26 9.029 -3.499 -7.118 1.00 0.00 C ATOM 348 O ASN A 26 9.442 -4.643 -7.311 1.00 0.00 O ATOM 349 CB ASN A 26 10.118 -2.905 -9.290 1.00 0.00 C ATOM 350 CG ASN A 26 11.574 -2.772 -8.889 1.00 0.00 C ATOM 351 OD1 ASN A 26 12.155 -1.689 -8.968 1.00 0.00 O ATOM 352 ND2 ASN A 26 12.172 -3.875 -8.454 1.00 0.00 N ATOM 0 H ASN A 26 9.213 -0.337 -8.019 1.00 0.00 H new ATOM 0 HA ASN A 26 8.181 -2.247 -8.629 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.903 -3.947 -9.525 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.941 -2.330 -10.199 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.151 -3.846 -8.169 1.00 0.00 H new ATOM 0 HD22 ASN A 26 11.652 -4.751 -8.405 1.00 0.00 H new ATOM 359 N ARG A 27 8.447 -3.122 -5.984 1.00 0.00 N ATOM 360 CA ARG A 27 8.257 -4.052 -4.877 1.00 0.00 C ATOM 361 C ARG A 27 6.819 -4.007 -4.370 1.00 0.00 C ATOM 362 O ARG A 27 6.202 -2.943 -4.312 1.00 0.00 O ATOM 363 CB ARG A 27 9.222 -3.723 -3.736 1.00 0.00 C ATOM 364 CG ARG A 27 10.524 -4.504 -3.796 1.00 0.00 C ATOM 365 CD ARG A 27 11.261 -4.462 -2.465 1.00 0.00 C ATOM 366 NE ARG A 27 12.709 -4.527 -2.639 1.00 0.00 N ATOM 367 CZ ARG A 27 13.465 -3.470 -2.913 1.00 0.00 C ATOM 368 NH1 ARG A 27 12.913 -2.272 -3.044 1.00 0.00 N ATOM 369 NH2 ARG A 27 14.777 -3.611 -3.057 1.00 0.00 N ATOM 0 H ARG A 27 8.099 -2.180 -5.808 1.00 0.00 H new ATOM 0 HA ARG A 27 8.464 -5.058 -5.241 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.446 -2.657 -3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.730 -3.926 -2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.316 -5.539 -4.066 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.161 -4.092 -4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.000 -3.546 -1.935 1.00 0.00 H new ATOM 0 HD3 ARG A 27 10.933 -5.295 -1.843 1.00 0.00 H new ATOM 0 HE ARG A 27 13.165 -5.434 -2.545 1.00 0.00 H new ATOM 0 HH11 ARG A 27 11.905 -2.160 -2.934 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.496 -1.462 -3.254 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.205 -4.531 -2.957 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.357 -2.799 -3.267 1.00 0.00 H new ATOM 383 N CYS A 28 6.289 -5.169 -4.003 1.00 0.00 N ATOM 384 CA CYS A 28 4.924 -5.264 -3.502 1.00 0.00 C ATOM 385 C CYS A 28 4.628 -4.141 -2.513 1.00 0.00 C ATOM 386 O CYS A 28 5.522 -3.663 -1.814 1.00 0.00 O ATOM 387 CB CYS A 28 4.697 -6.621 -2.833 1.00 0.00 C ATOM 388 SG CYS A 28 2.950 -6.989 -2.469 1.00 0.00 S ATOM 0 H CYS A 28 6.786 -6.059 -4.043 1.00 0.00 H new ATOM 0 HA CYS A 28 4.245 -5.166 -4.349 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.095 -7.403 -3.479 1.00 0.00 H new ATOM 0 HB3 CYS A 28 5.266 -6.655 -1.904 1.00 0.00 H new ATOM 393 N PHE A 29 3.367 -3.724 -2.459 1.00 0.00 N ATOM 394 CA PHE A 29 2.953 -2.656 -1.556 1.00 0.00 C ATOM 395 C PHE A 29 2.313 -3.229 -0.295 1.00 0.00 C ATOM 396 O PHE A 29 1.828 -2.487 0.559 1.00 0.00 O ATOM 397 CB PHE A 29 1.970 -1.718 -2.260 1.00 0.00 C ATOM 398 CG PHE A 29 0.778 -1.359 -1.419 1.00 0.00 C ATOM 399 CD1 PHE A 29 -0.139 -2.328 -1.045 1.00 0.00 C ATOM 400 CD2 PHE A 29 0.574 -0.053 -1.004 1.00 0.00 C ATOM 401 CE1 PHE A 29 -1.237 -2.002 -0.271 1.00 0.00 C ATOM 402 CE2 PHE A 29 -0.521 0.279 -0.229 1.00 0.00 C ATOM 403 CZ PHE A 29 -1.429 -0.696 0.136 1.00 0.00 C ATOM 0 H PHE A 29 2.614 -4.109 -3.030 1.00 0.00 H new ATOM 0 HA PHE A 29 3.840 -2.092 -1.268 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.492 -0.805 -2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.626 -2.189 -3.181 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.006 -3.350 -1.362 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.279 0.714 -1.289 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.944 -2.767 0.015 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.667 1.300 0.091 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.287 -0.438 0.738 1.00 0.00 H new ATOM 413 N MET A 30 2.317 -4.553 -0.185 1.00 0.00 N ATOM 414 CA MET A 30 1.737 -5.226 0.972 1.00 0.00 C ATOM 415 C MET A 30 2.807 -5.985 1.751 1.00 0.00 C ATOM 416 O MET A 30 2.877 -5.894 2.977 1.00 0.00 O ATOM 417 CB MET A 30 0.633 -6.187 0.529 1.00 0.00 C ATOM 418 CG MET A 30 0.381 -7.318 1.514 1.00 0.00 C ATOM 419 SD MET A 30 0.219 -6.736 3.213 1.00 0.00 S ATOM 420 CE MET A 30 -1.550 -6.877 3.452 1.00 0.00 C ATOM 0 H MET A 30 2.715 -5.182 -0.883 1.00 0.00 H new ATOM 0 HA MET A 30 1.307 -4.467 1.625 1.00 0.00 H new ATOM 0 HB2 MET A 30 -0.291 -5.626 0.388 1.00 0.00 H new ATOM 0 HB3 MET A 30 0.899 -6.612 -0.439 1.00 0.00 H new ATOM 0 HG2 MET A 30 -0.527 -7.848 1.228 1.00 0.00 H new ATOM 0 HG3 MET A 30 1.200 -8.034 1.456 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.790 -6.707 4.502 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.060 -6.135 2.838 1.00 0.00 H new ATOM 0 HE3 MET A 30 -1.878 -7.875 3.162 1.00 0.00 H new ATOM 430 N CYS A 31 3.637 -6.733 1.032 1.00 0.00 N ATOM 431 CA CYS A 31 4.703 -7.508 1.656 1.00 0.00 C ATOM 432 C CYS A 31 6.067 -6.893 1.361 1.00 0.00 C ATOM 433 O CYS A 31 7.046 -7.166 2.056 1.00 0.00 O ATOM 434 CB CYS A 31 4.665 -8.955 1.161 1.00 0.00 C ATOM 435 SG CYS A 31 5.002 -9.141 -0.620 1.00 0.00 S ATOM 0 H CYS A 31 3.592 -6.819 0.017 1.00 0.00 H new ATOM 0 HA CYS A 31 4.545 -7.495 2.734 1.00 0.00 H new ATOM 0 HB2 CYS A 31 5.396 -9.539 1.721 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.684 -9.377 1.380 1.00 0.00 H new ATOM 440 N ARG A 32 6.124 -6.061 0.326 1.00 0.00 N ATOM 441 CA ARG A 32 7.368 -5.408 -0.062 1.00 0.00 C ATOM 442 C ARG A 32 8.363 -6.421 -0.620 1.00 0.00 C ATOM 443 O ARG A 32 9.494 -6.524 -0.144 1.00 0.00 O ATOM 444 CB ARG A 32 7.982 -4.680 1.136 1.00 0.00 C ATOM 445 CG ARG A 32 7.011 -3.753 1.848 1.00 0.00 C ATOM 446 CD ARG A 32 6.673 -2.540 0.996 1.00 0.00 C ATOM 447 NE ARG A 32 7.611 -1.442 1.210 1.00 0.00 N ATOM 448 CZ ARG A 32 7.555 -0.288 0.553 1.00 0.00 C ATOM 449 NH1 ARG A 32 6.609 -0.084 -0.354 1.00 0.00 N ATOM 450 NH2 ARG A 32 8.445 0.663 0.803 1.00 0.00 N ATOM 0 H ARG A 32 5.323 -5.823 -0.259 1.00 0.00 H new ATOM 0 HA ARG A 32 7.140 -4.682 -0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.354 -5.418 1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.841 -4.101 0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.097 -4.296 2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.445 -3.426 2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.680 -2.823 -0.057 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.663 -2.204 1.229 1.00 0.00 H new ATOM 0 HE ARG A 32 8.350 -1.567 1.902 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.923 -0.813 -0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.568 0.802 -0.857 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.174 0.509 1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.401 1.548 0.298 1.00 0.00 H new ATOM 464 N LYS A 33 7.935 -7.168 -1.631 1.00 0.00 N ATOM 465 CA LYS A 33 8.787 -8.173 -2.256 1.00 0.00 C ATOM 466 C LYS A 33 9.106 -7.795 -3.699 1.00 0.00 C ATOM 467 O LYS A 33 8.254 -7.276 -4.419 1.00 0.00 O ATOM 468 CB LYS A 33 8.107 -9.544 -2.215 1.00 0.00 C ATOM 469 CG LYS A 33 8.887 -10.631 -2.935 1.00 0.00 C ATOM 470 CD LYS A 33 7.971 -11.733 -3.440 1.00 0.00 C ATOM 471 CE LYS A 33 7.510 -11.465 -4.864 1.00 0.00 C ATOM 472 NZ LYS A 33 8.525 -11.894 -5.866 1.00 0.00 N ATOM 0 H LYS A 33 7.002 -7.097 -2.036 1.00 0.00 H new ATOM 0 HA LYS A 33 9.721 -8.220 -1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.964 -9.839 -1.175 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.116 -9.462 -2.662 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.430 -10.195 -3.774 1.00 0.00 H new ATOM 0 HG3 LYS A 33 9.630 -11.055 -2.260 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.493 -12.689 -3.399 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.104 -11.815 -2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.573 -11.992 -5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.307 -10.401 -4.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.058 -12.426 -6.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.994 -11.056 -6.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 9.233 -12.500 -5.405 1.00 0.00 H new ATOM 486 N LYS A 34 10.340 -8.060 -4.115 1.00 0.00 N ATOM 487 CA LYS A 34 10.772 -7.751 -5.473 1.00 0.00 C ATOM 488 C LYS A 34 9.886 -8.449 -6.499 1.00 0.00 C ATOM 489 O LYS A 34 9.945 -9.669 -6.658 1.00 0.00 O ATOM 490 CB LYS A 34 12.230 -8.170 -5.674 1.00 0.00 C ATOM 491 CG LYS A 34 13.003 -7.255 -6.608 1.00 0.00 C ATOM 492 CD LYS A 34 12.808 -7.649 -8.062 1.00 0.00 C ATOM 493 CE LYS A 34 13.676 -8.841 -8.438 1.00 0.00 C ATOM 494 NZ LYS A 34 15.113 -8.467 -8.547 1.00 0.00 N ATOM 0 H LYS A 34 11.058 -8.488 -3.531 1.00 0.00 H new ATOM 0 HA LYS A 34 10.686 -6.674 -5.618 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.730 -8.192 -4.705 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.256 -9.185 -6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.677 -6.225 -6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.064 -7.292 -6.359 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.760 -7.891 -8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.051 -6.803 -8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.560 -9.625 -7.690 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.335 -9.254 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.634 -9.228 -9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.202 -7.587 -9.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.508 -8.324 -7.595 1.00 0.00 H new ATOM 508 N VAL A 35 9.064 -7.669 -7.194 1.00 0.00 N ATOM 509 CA VAL A 35 8.167 -8.212 -8.207 1.00 0.00 C ATOM 510 C VAL A 35 8.704 -7.957 -9.611 1.00 0.00 C ATOM 511 O VAL A 35 8.609 -8.814 -10.488 1.00 0.00 O ATOM 512 CB VAL A 35 6.756 -7.605 -8.091 1.00 0.00 C ATOM 513 CG1 VAL A 35 6.252 -7.695 -6.658 1.00 0.00 C ATOM 514 CG2 VAL A 35 6.756 -6.163 -8.575 1.00 0.00 C ATOM 0 H VAL A 35 9.001 -6.658 -7.074 1.00 0.00 H new ATOM 0 HA VAL A 35 8.108 -9.286 -8.034 1.00 0.00 H new ATOM 0 HB VAL A 35 6.079 -8.178 -8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.254 -7.261 -6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.213 -8.740 -6.351 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.927 -7.148 -6.000 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.751 -5.749 -8.486 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.445 -5.576 -7.968 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.071 -6.129 -9.618 1.00 0.00 H new ATOM 524 N GLY A 36 9.271 -6.772 -9.815 1.00 0.00 N ATOM 525 CA GLY A 36 9.816 -6.425 -11.115 1.00 0.00 C ATOM 526 C GLY A 36 8.824 -6.652 -12.239 1.00 0.00 C ATOM 527 O GLY A 36 7.957 -5.814 -12.490 1.00 0.00 O ATOM 0 H GLY A 36 9.363 -6.046 -9.104 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.121 -5.379 -11.110 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.712 -7.018 -11.300 1.00 0.00 H new ATOM 531 N LEU A 37 8.952 -7.786 -12.918 1.00 0.00 N ATOM 532 CA LEU A 37 8.061 -8.121 -14.023 1.00 0.00 C ATOM 533 C LEU A 37 6.798 -8.810 -13.515 1.00 0.00 C ATOM 534 O LEU A 37 5.725 -8.676 -14.104 1.00 0.00 O ATOM 535 CB LEU A 37 8.779 -9.023 -15.028 1.00 0.00 C ATOM 536 CG LEU A 37 9.802 -8.337 -15.934 1.00 0.00 C ATOM 537 CD1 LEU A 37 10.667 -9.370 -16.640 1.00 0.00 C ATOM 538 CD2 LEU A 37 9.103 -7.442 -16.947 1.00 0.00 C ATOM 0 H LEU A 37 9.664 -8.489 -12.723 1.00 0.00 H new ATOM 0 HA LEU A 37 7.772 -7.194 -14.518 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.285 -9.816 -14.477 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.029 -9.501 -15.658 1.00 0.00 H new ATOM 0 HG LEU A 37 10.448 -7.715 -15.314 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.389 -8.863 -17.280 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.196 -9.969 -15.899 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.036 -10.019 -17.247 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.847 -6.962 -17.583 1.00 0.00 H new ATOM 0 HD22 LEU A 37 8.433 -8.043 -17.562 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.528 -6.679 -16.423 1.00 0.00 H new ATOM 550 N THR A 38 6.934 -9.547 -12.417 1.00 0.00 N ATOM 551 CA THR A 38 5.804 -10.256 -11.829 1.00 0.00 C ATOM 552 C THR A 38 4.988 -9.338 -10.926 1.00 0.00 C ATOM 553 O THR A 38 4.422 -9.777 -9.927 1.00 0.00 O ATOM 554 CB THR A 38 6.271 -11.476 -11.013 1.00 0.00 C ATOM 555 OG1 THR A 38 7.117 -11.053 -9.939 1.00 0.00 O ATOM 556 CG2 THR A 38 7.019 -12.464 -11.896 1.00 0.00 C ATOM 0 H THR A 38 7.815 -9.668 -11.917 1.00 0.00 H new ATOM 0 HA THR A 38 5.180 -10.597 -12.655 1.00 0.00 H new ATOM 0 HB THR A 38 5.390 -11.972 -10.606 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.493 -10.172 -10.146 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.339 -13.317 -11.298 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.362 -12.807 -12.695 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.893 -11.976 -12.329 1.00 0.00 H new ATOM 564 N GLY A 39 4.931 -8.059 -11.287 1.00 0.00 N ATOM 565 CA GLY A 39 4.181 -7.099 -10.498 1.00 0.00 C ATOM 566 C GLY A 39 2.700 -7.114 -10.822 1.00 0.00 C ATOM 567 O GLY A 39 2.298 -7.546 -11.903 1.00 0.00 O ATOM 0 H GLY A 39 5.390 -7.671 -12.111 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.320 -7.316 -9.439 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.578 -6.099 -10.674 1.00 0.00 H new ATOM 571 N PHE A 40 1.886 -6.643 -9.884 1.00 0.00 N ATOM 572 CA PHE A 40 0.441 -6.606 -10.073 1.00 0.00 C ATOM 573 C PHE A 40 -0.124 -5.241 -9.691 1.00 0.00 C ATOM 574 O PHE A 40 0.015 -4.797 -8.551 1.00 0.00 O ATOM 575 CB PHE A 40 -0.232 -7.700 -9.241 1.00 0.00 C ATOM 576 CG PHE A 40 -1.360 -8.388 -9.956 1.00 0.00 C ATOM 577 CD1 PHE A 40 -2.644 -7.871 -9.911 1.00 0.00 C ATOM 578 CD2 PHE A 40 -1.135 -9.553 -10.672 1.00 0.00 C ATOM 579 CE1 PHE A 40 -3.684 -8.503 -10.567 1.00 0.00 C ATOM 580 CE2 PHE A 40 -2.171 -10.189 -11.331 1.00 0.00 C ATOM 581 CZ PHE A 40 -3.446 -9.663 -11.279 1.00 0.00 C ATOM 0 H PHE A 40 2.203 -6.281 -8.984 1.00 0.00 H new ATOM 0 HA PHE A 40 0.234 -6.782 -11.129 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.515 -8.442 -8.959 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.611 -7.262 -8.318 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -2.835 -6.964 -9.357 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.139 -9.969 -10.716 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.681 -8.091 -10.523 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -1.983 -11.096 -11.886 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.256 -10.157 -11.794 1.00 0.00 H new ATOM 591 N ASP A 41 -0.759 -4.580 -10.652 1.00 0.00 N ATOM 592 CA ASP A 41 -1.346 -3.266 -10.418 1.00 0.00 C ATOM 593 C ASP A 41 -2.820 -3.387 -10.047 1.00 0.00 C ATOM 594 O ASP A 41 -3.646 -3.790 -10.866 1.00 0.00 O ATOM 595 CB ASP A 41 -1.189 -2.385 -11.659 1.00 0.00 C ATOM 596 CG ASP A 41 -1.338 -0.910 -11.344 1.00 0.00 C ATOM 597 OD1 ASP A 41 -2.085 -0.576 -10.400 1.00 0.00 O ATOM 598 OD2 ASP A 41 -0.706 -0.088 -12.041 1.00 0.00 O ATOM 0 H ASP A 41 -0.881 -4.933 -11.601 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.818 -2.803 -9.585 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.210 -2.561 -12.105 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.934 -2.672 -12.401 1.00 0.00 H new ATOM 603 N CYS A 42 -3.144 -3.035 -8.807 1.00 0.00 N ATOM 604 CA CYS A 42 -4.519 -3.106 -8.326 1.00 0.00 C ATOM 605 C CYS A 42 -5.292 -1.845 -8.702 1.00 0.00 C ATOM 606 O CYS A 42 -4.704 -0.843 -9.112 1.00 0.00 O ATOM 607 CB CYS A 42 -4.541 -3.297 -6.808 1.00 0.00 C ATOM 608 SG CYS A 42 -6.182 -3.713 -6.135 1.00 0.00 S ATOM 0 H CYS A 42 -2.473 -2.698 -8.117 1.00 0.00 H new ATOM 0 HA CYS A 42 -5.000 -3.961 -8.800 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -3.840 -4.088 -6.542 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -4.186 -2.383 -6.332 1.00 0.00 H new ATOM 613 N ARG A 43 -6.612 -1.902 -8.558 1.00 0.00 N ATOM 614 CA ARG A 43 -7.465 -0.765 -8.883 1.00 0.00 C ATOM 615 C ARG A 43 -7.239 0.383 -7.904 1.00 0.00 C ATOM 616 O ARG A 43 -7.370 1.553 -8.262 1.00 0.00 O ATOM 617 CB ARG A 43 -8.937 -1.184 -8.864 1.00 0.00 C ATOM 618 CG ARG A 43 -9.253 -2.341 -9.797 1.00 0.00 C ATOM 619 CD ARG A 43 -9.434 -1.867 -11.231 1.00 0.00 C ATOM 620 NE ARG A 43 -8.166 -1.808 -11.952 1.00 0.00 N ATOM 621 CZ ARG A 43 -7.590 -2.864 -12.514 1.00 0.00 C ATOM 622 NH1 ARG A 43 -8.166 -4.056 -12.439 1.00 0.00 N ATOM 623 NH2 ARG A 43 -6.435 -2.730 -13.153 1.00 0.00 N ATOM 0 H ARG A 43 -7.114 -2.723 -8.219 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.204 -0.421 -9.884 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -9.214 -1.462 -7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -9.553 -0.328 -9.139 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.448 -3.075 -9.754 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.160 -2.843 -9.461 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.116 -2.539 -11.752 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -9.897 -0.880 -11.231 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.697 -0.906 -12.028 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.054 -4.163 -11.949 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.721 -4.865 -12.872 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.988 -1.815 -13.213 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.994 -3.542 -13.584 1.00 0.00 H new ATOM 637 N CYS A 44 -6.898 0.039 -6.667 1.00 0.00 N ATOM 638 CA CYS A 44 -6.653 1.039 -5.635 1.00 0.00 C ATOM 639 C CYS A 44 -5.430 1.885 -5.976 1.00 0.00 C ATOM 640 O CYS A 44 -5.115 2.849 -5.279 1.00 0.00 O ATOM 641 CB CYS A 44 -6.457 0.363 -4.276 1.00 0.00 C ATOM 642 SG CYS A 44 -5.007 -0.736 -4.195 1.00 0.00 S ATOM 0 H CYS A 44 -6.785 -0.925 -6.355 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.523 1.694 -5.585 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.360 1.132 -3.510 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.350 -0.214 -4.037 1.00 0.00 H new ATOM 647 N GLY A 45 -4.745 1.517 -7.054 1.00 0.00 N ATOM 648 CA GLY A 45 -3.564 2.252 -7.469 1.00 0.00 C ATOM 649 C GLY A 45 -2.325 1.840 -6.699 1.00 0.00 C ATOM 650 O GLY A 45 -1.543 2.688 -6.269 1.00 0.00 O ATOM 0 H GLY A 45 -4.986 0.723 -7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.396 2.092 -8.534 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.736 3.319 -7.330 1.00 0.00 H new ATOM 654 N ASN A 46 -2.145 0.535 -6.524 1.00 0.00 N ATOM 655 CA ASN A 46 -0.992 0.013 -5.799 1.00 0.00 C ATOM 656 C ASN A 46 -0.355 -1.149 -6.555 1.00 0.00 C ATOM 657 O ASN A 46 -0.895 -1.625 -7.554 1.00 0.00 O ATOM 658 CB ASN A 46 -1.408 -0.442 -4.399 1.00 0.00 C ATOM 659 CG ASN A 46 -1.372 0.688 -3.388 1.00 0.00 C ATOM 660 OD1 ASN A 46 -0.472 1.528 -3.412 1.00 0.00 O ATOM 661 ND2 ASN A 46 -2.353 0.714 -2.494 1.00 0.00 N ATOM 0 H ASN A 46 -2.782 -0.180 -6.874 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.257 0.813 -5.711 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.415 -0.857 -4.439 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -0.746 -1.242 -4.069 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.382 1.451 -1.789 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.078 -0.003 -2.512 1.00 0.00 H new ATOM 668 N LEU A 47 0.797 -1.601 -6.071 1.00 0.00 N ATOM 669 CA LEU A 47 1.509 -2.707 -6.700 1.00 0.00 C ATOM 670 C LEU A 47 1.552 -3.922 -5.778 1.00 0.00 C ATOM 671 O LEU A 47 1.724 -3.788 -4.566 1.00 0.00 O ATOM 672 CB LEU A 47 2.932 -2.281 -7.068 1.00 0.00 C ATOM 673 CG LEU A 47 3.890 -3.407 -7.457 1.00 0.00 C ATOM 674 CD1 LEU A 47 3.443 -4.066 -8.753 1.00 0.00 C ATOM 675 CD2 LEU A 47 5.311 -2.877 -7.589 1.00 0.00 C ATOM 0 H LEU A 47 1.257 -1.218 -5.245 1.00 0.00 H new ATOM 0 HA LEU A 47 0.973 -2.982 -7.608 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.876 -1.576 -7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.359 -1.744 -6.221 1.00 0.00 H new ATOM 0 HG LEU A 47 3.875 -4.159 -6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.137 -4.865 -9.013 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.444 -4.482 -8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.427 -3.324 -9.552 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.979 -3.692 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.342 -2.105 -8.358 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.631 -2.453 -6.637 1.00 0.00 H new ATOM 687 N PHE A 48 1.397 -5.106 -6.361 1.00 0.00 N ATOM 688 CA PHE A 48 1.419 -6.345 -5.592 1.00 0.00 C ATOM 689 C PHE A 48 2.202 -7.428 -6.328 1.00 0.00 C ATOM 690 O PHE A 48 2.297 -7.416 -7.555 1.00 0.00 O ATOM 691 CB PHE A 48 -0.007 -6.826 -5.319 1.00 0.00 C ATOM 692 CG PHE A 48 -0.852 -5.818 -4.594 1.00 0.00 C ATOM 693 CD1 PHE A 48 -1.511 -4.818 -5.290 1.00 0.00 C ATOM 694 CD2 PHE A 48 -0.988 -5.872 -3.216 1.00 0.00 C ATOM 695 CE1 PHE A 48 -2.288 -3.889 -4.624 1.00 0.00 C ATOM 696 CE2 PHE A 48 -1.764 -4.945 -2.545 1.00 0.00 C ATOM 697 CZ PHE A 48 -2.416 -3.953 -3.251 1.00 0.00 C ATOM 0 H PHE A 48 1.255 -5.234 -7.363 1.00 0.00 H new ATOM 0 HA PHE A 48 1.915 -6.145 -4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -0.485 -7.075 -6.266 1.00 0.00 H new ATOM 0 HB3 PHE A 48 0.034 -7.743 -4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -1.417 -4.764 -6.364 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.482 -6.647 -2.660 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -2.795 -3.113 -5.178 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.860 -4.997 -1.471 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.025 -3.229 -2.730 1.00 0.00 H new ATOM 707 N CYS A 49 2.761 -8.365 -5.569 1.00 0.00 N ATOM 708 CA CYS A 49 3.537 -9.456 -6.147 1.00 0.00 C ATOM 709 C CYS A 49 2.624 -10.590 -6.602 1.00 0.00 C ATOM 710 O CYS A 49 3.052 -11.738 -6.718 1.00 0.00 O ATOM 711 CB CYS A 49 4.553 -9.981 -5.131 1.00 0.00 C ATOM 712 SG CYS A 49 3.804 -10.730 -3.649 1.00 0.00 S ATOM 0 H CYS A 49 2.691 -8.391 -4.552 1.00 0.00 H new ATOM 0 HA CYS A 49 4.069 -9.070 -7.016 1.00 0.00 H new ATOM 0 HB2 CYS A 49 5.188 -10.721 -5.618 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.200 -9.160 -4.822 1.00 0.00 H new ATOM 717 N GLY A 50 1.362 -10.260 -6.860 1.00 0.00 N ATOM 718 CA GLY A 50 0.408 -11.262 -7.300 1.00 0.00 C ATOM 719 C GLY A 50 -0.133 -12.091 -6.152 1.00 0.00 C ATOM 720 O GLY A 50 -1.263 -12.579 -6.208 1.00 0.00 O ATOM 0 H GLY A 50 0.983 -9.317 -6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.420 -10.771 -7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.886 -11.920 -8.026 1.00 0.00 H new ATOM 724 N LEU A 51 0.674 -12.252 -5.110 1.00 0.00 N ATOM 725 CA LEU A 51 0.270 -13.030 -3.943 1.00 0.00 C ATOM 726 C LEU A 51 -0.757 -12.270 -3.110 1.00 0.00 C ATOM 727 O LEU A 51 -1.548 -12.870 -2.382 1.00 0.00 O ATOM 728 CB LEU A 51 1.490 -13.369 -3.085 1.00 0.00 C ATOM 729 CG LEU A 51 2.691 -13.958 -3.827 1.00 0.00 C ATOM 730 CD1 LEU A 51 3.977 -13.681 -3.064 1.00 0.00 C ATOM 731 CD2 LEU A 51 2.505 -15.453 -4.040 1.00 0.00 C ATOM 0 H LEU A 51 1.611 -11.855 -5.048 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.188 -13.955 -4.294 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.813 -12.462 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.182 -14.076 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 51 2.762 -13.479 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.821 -14.107 -3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.116 -12.605 -2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.917 -14.132 -2.074 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.369 -15.855 -4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.408 -15.949 -3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.605 -15.627 -4.629 1.00 0.00 H new ATOM 743 N HIS A 52 -0.740 -10.946 -3.225 1.00 0.00 N ATOM 744 CA HIS A 52 -1.673 -10.103 -2.484 1.00 0.00 C ATOM 745 C HIS A 52 -2.557 -9.304 -3.437 1.00 0.00 C ATOM 746 O HIS A 52 -3.460 -8.587 -3.006 1.00 0.00 O ATOM 747 CB HIS A 52 -0.910 -9.153 -1.560 1.00 0.00 C ATOM 748 CG HIS A 52 -0.090 -9.856 -0.522 1.00 0.00 C ATOM 749 ND1 HIS A 52 1.277 -10.009 -0.620 1.00 0.00 N ATOM 750 CD2 HIS A 52 -0.452 -10.448 0.640 1.00 0.00 C ATOM 751 CE1 HIS A 52 1.721 -10.666 0.436 1.00 0.00 C ATOM 752 NE2 HIS A 52 0.692 -10.944 1.217 1.00 0.00 N ATOM 0 H HIS A 52 -0.092 -10.434 -3.823 1.00 0.00 H new ATOM 0 HA HIS A 52 -2.310 -10.750 -1.882 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.256 -8.522 -2.162 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.621 -8.493 -1.063 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.453 -10.518 1.039 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.750 -10.931 0.629 1.00 0.00 H new ATOM 0 HE2 HIS A 52 0.739 -11.445 2.104 1.00 0.00 H new ATOM 760 N ARG A 53 -2.291 -9.433 -4.732 1.00 0.00 N ATOM 761 CA ARG A 53 -3.062 -8.722 -5.745 1.00 0.00 C ATOM 762 C ARG A 53 -4.541 -8.683 -5.375 1.00 0.00 C ATOM 763 O ARG A 53 -5.177 -7.630 -5.425 1.00 0.00 O ATOM 764 CB ARG A 53 -2.884 -9.387 -7.111 1.00 0.00 C ATOM 765 CG ARG A 53 -3.440 -10.800 -7.178 1.00 0.00 C ATOM 766 CD ARG A 53 -3.027 -11.501 -8.462 1.00 0.00 C ATOM 767 NE ARG A 53 -3.849 -12.677 -8.733 1.00 0.00 N ATOM 768 CZ ARG A 53 -3.672 -13.473 -9.782 1.00 0.00 C ATOM 769 NH1 ARG A 53 -2.705 -13.220 -10.654 1.00 0.00 N ATOM 770 NH2 ARG A 53 -4.462 -14.524 -9.960 1.00 0.00 N ATOM 0 H ARG A 53 -1.547 -10.023 -5.105 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.691 -7.698 -5.796 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.374 -8.777 -7.869 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.823 -9.411 -7.358 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.087 -11.372 -6.320 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.528 -10.768 -7.114 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.105 -10.804 -9.297 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.981 -11.799 -8.392 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.601 -12.900 -8.081 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -2.096 -12.413 -10.520 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -2.571 -13.832 -11.459 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.206 -14.722 -9.291 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.325 -15.134 -10.766 1.00 0.00 H new ATOM 784 N TYR A 54 -5.084 -9.838 -5.004 1.00 0.00 N ATOM 785 CA TYR A 54 -6.489 -9.937 -4.628 1.00 0.00 C ATOM 786 C TYR A 54 -6.890 -8.783 -3.714 1.00 0.00 C ATOM 787 O TYR A 54 -6.049 -8.187 -3.042 1.00 0.00 O ATOM 788 CB TYR A 54 -6.760 -11.272 -3.932 1.00 0.00 C ATOM 789 CG TYR A 54 -6.311 -12.473 -4.732 1.00 0.00 C ATOM 790 CD1 TYR A 54 -4.988 -12.896 -4.705 1.00 0.00 C ATOM 791 CD2 TYR A 54 -7.210 -13.187 -5.515 1.00 0.00 C ATOM 792 CE1 TYR A 54 -4.573 -13.993 -5.435 1.00 0.00 C ATOM 793 CE2 TYR A 54 -6.805 -14.286 -6.247 1.00 0.00 C ATOM 794 CZ TYR A 54 -5.485 -14.685 -6.205 1.00 0.00 C ATOM 795 OH TYR A 54 -5.077 -15.779 -6.932 1.00 0.00 O ATOM 0 H TYR A 54 -4.572 -10.719 -4.956 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.087 -9.882 -5.537 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.253 -11.279 -2.967 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.828 -11.358 -3.732 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.271 -12.358 -4.103 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.244 -12.877 -5.552 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.540 -14.307 -5.403 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.518 -14.830 -6.849 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.842 -16.152 -7.418 1.00 0.00 H new ATOM 805 N SER A 55 -8.183 -8.475 -3.693 1.00 0.00 N ATOM 806 CA SER A 55 -8.698 -7.391 -2.865 1.00 0.00 C ATOM 807 C SER A 55 -8.889 -7.854 -1.423 1.00 0.00 C ATOM 808 O SER A 55 -8.714 -7.079 -0.483 1.00 0.00 O ATOM 809 CB SER A 55 -10.025 -6.877 -3.427 1.00 0.00 C ATOM 810 OG SER A 55 -10.858 -7.950 -3.831 1.00 0.00 O ATOM 0 H SER A 55 -8.893 -8.961 -4.240 1.00 0.00 H new ATOM 0 HA SER A 55 -7.969 -6.581 -2.876 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.536 -6.280 -2.672 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.834 -6.221 -4.276 1.00 0.00 H new ATOM 0 HG SER A 55 -10.862 -8.011 -4.809 1.00 0.00 H new ATOM 816 N ASP A 56 -9.250 -9.121 -1.258 1.00 0.00 N ATOM 817 CA ASP A 56 -9.464 -9.689 0.068 1.00 0.00 C ATOM 818 C ASP A 56 -8.170 -10.277 0.623 1.00 0.00 C ATOM 819 O ASP A 56 -8.190 -11.081 1.555 1.00 0.00 O ATOM 820 CB ASP A 56 -10.547 -10.767 0.016 1.00 0.00 C ATOM 821 CG ASP A 56 -11.734 -10.355 -0.833 1.00 0.00 C ATOM 822 OD1 ASP A 56 -11.674 -10.539 -2.066 1.00 0.00 O ATOM 823 OD2 ASP A 56 -12.723 -9.846 -0.263 1.00 0.00 O ATOM 0 H ASP A 56 -9.401 -9.775 -2.026 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.791 -8.888 0.730 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.121 -11.687 -0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -10.887 -10.986 1.028 1.00 0.00 H new ATOM 828 N LYS A 57 -7.046 -9.871 0.043 1.00 0.00 N ATOM 829 CA LYS A 57 -5.741 -10.357 0.479 1.00 0.00 C ATOM 830 C LYS A 57 -4.948 -9.247 1.162 1.00 0.00 C ATOM 831 O LYS A 57 -4.301 -9.473 2.185 1.00 0.00 O ATOM 832 CB LYS A 57 -4.953 -10.902 -0.714 1.00 0.00 C ATOM 833 CG LYS A 57 -5.297 -12.339 -1.065 1.00 0.00 C ATOM 834 CD LYS A 57 -4.858 -13.300 0.027 1.00 0.00 C ATOM 835 CE LYS A 57 -5.132 -14.745 -0.360 1.00 0.00 C ATOM 836 NZ LYS A 57 -4.739 -15.692 0.721 1.00 0.00 N ATOM 0 H LYS A 57 -7.012 -9.207 -0.730 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.901 -11.160 1.198 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.141 -10.270 -1.582 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.887 -10.835 -0.496 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.372 -12.429 -1.220 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -4.816 -12.610 -2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.793 -13.170 0.221 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.382 -13.064 0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.192 -14.867 -0.582 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.585 -14.987 -1.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.941 -16.667 0.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.722 -15.594 0.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.279 -15.478 1.584 1.00 0.00 H new ATOM 850 N HIS A 58 -5.004 -8.048 0.591 1.00 0.00 N ATOM 851 CA HIS A 58 -4.292 -6.903 1.146 1.00 0.00 C ATOM 852 C HIS A 58 -5.271 -5.860 1.677 1.00 0.00 C ATOM 853 O HIS A 58 -4.915 -4.697 1.859 1.00 0.00 O ATOM 854 CB HIS A 58 -3.385 -6.276 0.087 1.00 0.00 C ATOM 855 CG HIS A 58 -4.135 -5.570 -1.001 1.00 0.00 C ATOM 856 ND1 HIS A 58 -4.176 -6.024 -2.303 1.00 0.00 N ATOM 857 CD2 HIS A 58 -4.876 -4.438 -0.975 1.00 0.00 C ATOM 858 CE1 HIS A 58 -4.909 -5.200 -3.030 1.00 0.00 C ATOM 859 NE2 HIS A 58 -5.346 -4.230 -2.248 1.00 0.00 N ATOM 0 H HIS A 58 -5.535 -7.844 -0.256 1.00 0.00 H new ATOM 0 HA HIS A 58 -3.679 -7.256 1.975 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -2.711 -5.569 0.570 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -2.765 -7.055 -0.357 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -3.713 -6.864 -2.650 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -5.063 -3.814 -0.113 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -5.116 -5.302 -4.085 1.00 0.00 H new ATOM 867 N ASN A 59 -6.506 -6.285 1.922 1.00 0.00 N ATOM 868 CA ASN A 59 -7.537 -5.387 2.430 1.00 0.00 C ATOM 869 C ASN A 59 -7.713 -4.184 1.508 1.00 0.00 C ATOM 870 O ASN A 59 -7.687 -3.037 1.955 1.00 0.00 O ATOM 871 CB ASN A 59 -7.181 -4.916 3.841 1.00 0.00 C ATOM 872 CG ASN A 59 -6.900 -6.071 4.783 1.00 0.00 C ATOM 873 OD1 ASN A 59 -7.724 -6.972 4.941 1.00 0.00 O ATOM 874 ND2 ASN A 59 -5.732 -6.048 5.415 1.00 0.00 N ATOM 0 H ASN A 59 -6.817 -7.245 1.777 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.478 -5.936 2.464 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.306 -4.268 3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -8.001 -4.318 4.239 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.487 -6.798 6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -5.080 -5.281 5.253 1.00 0.00 H new ATOM 881 N CYS A 60 -7.893 -4.454 0.220 1.00 0.00 N ATOM 882 CA CYS A 60 -8.073 -3.395 -0.766 1.00 0.00 C ATOM 883 C CYS A 60 -9.207 -2.459 -0.357 1.00 0.00 C ATOM 884 O CYS A 60 -10.356 -2.870 -0.191 1.00 0.00 O ATOM 885 CB CYS A 60 -8.364 -3.995 -2.143 1.00 0.00 C ATOM 886 SG CYS A 60 -8.334 -2.784 -3.503 1.00 0.00 S ATOM 0 H CYS A 60 -7.918 -5.398 -0.166 1.00 0.00 H new ATOM 0 HA CYS A 60 -7.149 -2.819 -0.816 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -7.632 -4.775 -2.350 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.343 -4.474 -2.119 1.00 0.00 H new ATOM 891 N PRO A 61 -8.878 -1.169 -0.190 1.00 0.00 N ATOM 892 CA PRO A 61 -9.854 -0.147 0.201 1.00 0.00 C ATOM 893 C PRO A 61 -10.857 0.151 -0.908 1.00 0.00 C ATOM 894 O PRO A 61 -12.008 0.496 -0.641 1.00 0.00 O ATOM 895 CB PRO A 61 -8.987 1.082 0.483 1.00 0.00 C ATOM 896 CG PRO A 61 -7.760 0.876 -0.337 1.00 0.00 C ATOM 897 CD PRO A 61 -7.528 -0.609 -0.370 1.00 0.00 C ATOM 0 HA PRO A 61 -10.457 -0.464 1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -9.501 2.002 0.203 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -8.746 1.162 1.543 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.892 1.273 -1.344 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.907 1.395 0.100 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.084 -0.926 -1.314 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.852 -0.928 0.423 1.00 0.00 H new ATOM 905 N TYR A 62 -10.413 0.014 -2.153 1.00 0.00 N ATOM 906 CA TYR A 62 -11.271 0.271 -3.303 1.00 0.00 C ATOM 907 C TYR A 62 -12.640 -0.375 -3.116 1.00 0.00 C ATOM 908 O TYR A 62 -12.861 -1.125 -2.164 1.00 0.00 O ATOM 909 CB TYR A 62 -10.617 -0.254 -4.582 1.00 0.00 C ATOM 910 CG TYR A 62 -10.646 0.733 -5.727 1.00 0.00 C ATOM 911 CD1 TYR A 62 -10.175 2.030 -5.564 1.00 0.00 C ATOM 912 CD2 TYR A 62 -11.146 0.369 -6.971 1.00 0.00 C ATOM 913 CE1 TYR A 62 -10.201 2.935 -6.607 1.00 0.00 C ATOM 914 CE2 TYR A 62 -11.173 1.267 -8.020 1.00 0.00 C ATOM 915 CZ TYR A 62 -10.700 2.549 -7.833 1.00 0.00 C ATOM 916 OH TYR A 62 -10.727 3.447 -8.875 1.00 0.00 O ATOM 0 H TYR A 62 -9.464 -0.274 -2.391 1.00 0.00 H new ATOM 0 HA TYR A 62 -11.407 1.349 -3.389 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.582 -0.519 -4.368 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -11.123 -1.169 -4.889 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.782 2.336 -4.606 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -11.520 -0.633 -7.120 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.832 3.940 -6.463 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -11.562 0.967 -8.982 1.00 0.00 H new ATOM 0 HH TYR A 62 -11.108 3.016 -9.669 1.00 0.00 H new ATOM 926 N ASP A 63 -13.557 -0.079 -4.031 1.00 0.00 N ATOM 927 CA ASP A 63 -14.905 -0.632 -3.969 1.00 0.00 C ATOM 928 C ASP A 63 -15.345 -1.145 -5.337 1.00 0.00 C ATOM 929 O ASP A 63 -16.433 -1.701 -5.482 1.00 0.00 O ATOM 930 CB ASP A 63 -15.890 0.424 -3.466 1.00 0.00 C ATOM 931 CG ASP A 63 -15.454 1.834 -3.814 1.00 0.00 C ATOM 932 OD1 ASP A 63 -15.799 2.307 -4.918 1.00 0.00 O ATOM 933 OD2 ASP A 63 -14.770 2.465 -2.982 1.00 0.00 O ATOM 0 H ASP A 63 -13.391 0.541 -4.824 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.896 -1.470 -3.272 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.873 0.234 -3.896 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -15.993 0.335 -2.385 1.00 0.00 H new ATOM 938 N TYR A 64 -14.491 -0.954 -6.337 1.00 0.00 N ATOM 939 CA TYR A 64 -14.793 -1.394 -7.694 1.00 0.00 C ATOM 940 C TYR A 64 -15.639 -2.664 -7.679 1.00 0.00 C ATOM 941 O TYR A 64 -16.521 -2.847 -8.519 1.00 0.00 O ATOM 942 CB TYR A 64 -13.500 -1.639 -8.473 1.00 0.00 C ATOM 943 CG TYR A 64 -12.682 -2.794 -7.940 1.00 0.00 C ATOM 944 CD1 TYR A 64 -12.293 -2.840 -6.608 1.00 0.00 C ATOM 945 CD2 TYR A 64 -12.299 -3.840 -8.771 1.00 0.00 C ATOM 946 CE1 TYR A 64 -11.545 -3.892 -6.117 1.00 0.00 C ATOM 947 CE2 TYR A 64 -11.552 -4.898 -8.289 1.00 0.00 C ATOM 948 CZ TYR A 64 -11.177 -4.919 -6.962 1.00 0.00 C ATOM 949 OH TYR A 64 -10.433 -5.971 -6.477 1.00 0.00 O ATOM 0 H TYR A 64 -13.585 -0.498 -6.233 1.00 0.00 H new ATOM 0 HA TYR A 64 -15.362 -0.605 -8.186 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -13.746 -1.830 -9.518 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -12.894 -0.733 -8.449 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -12.581 -2.038 -5.944 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -12.590 -3.826 -9.811 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -11.250 -3.911 -5.078 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.264 -5.704 -8.948 1.00 0.00 H new ATOM 0 HH TYR A 64 -10.259 -6.610 -7.200 1.00 0.00 H new ATOM 959 N LYS A 65 -15.365 -3.539 -6.718 1.00 0.00 N ATOM 960 CA LYS A 65 -16.100 -4.791 -6.590 1.00 0.00 C ATOM 961 C LYS A 65 -17.585 -4.582 -6.872 1.00 0.00 C ATOM 962 O LYS A 65 -18.177 -5.288 -7.688 1.00 0.00 O ATOM 963 CB LYS A 65 -15.914 -5.374 -5.187 1.00 0.00 C ATOM 964 CG LYS A 65 -14.560 -5.063 -4.574 1.00 0.00 C ATOM 965 CD LYS A 65 -14.149 -6.121 -3.564 1.00 0.00 C ATOM 966 CE LYS A 65 -13.733 -7.414 -4.249 1.00 0.00 C ATOM 967 NZ LYS A 65 -13.469 -8.502 -3.267 1.00 0.00 N ATOM 0 H LYS A 65 -14.638 -3.404 -6.015 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.704 -5.492 -7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.696 -4.986 -4.535 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -16.043 -6.455 -5.232 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.809 -4.999 -5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.595 -4.088 -4.087 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -13.323 -5.747 -2.959 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.978 -6.318 -2.885 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.517 -7.729 -4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.838 -7.237 -4.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.443 -8.625 -3.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.892 -8.252 -2.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.888 -9.389 -3.611 1.00 0.00 H new ATOM 981 N ALA A 66 -18.180 -3.607 -6.193 1.00 0.00 N ATOM 982 CA ALA A 66 -19.594 -3.302 -6.373 1.00 0.00 C ATOM 983 C ALA A 66 -19.787 -2.153 -7.357 1.00 0.00 C ATOM 984 O ALA A 66 -20.646 -1.294 -7.160 1.00 0.00 O ATOM 985 CB ALA A 66 -20.237 -2.969 -5.036 1.00 0.00 C ATOM 0 H ALA A 66 -17.704 -3.014 -5.513 1.00 0.00 H new ATOM 0 HA ALA A 66 -20.081 -4.185 -6.787 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -21.293 -2.743 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -20.140 -3.821 -4.363 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -19.740 -2.103 -4.599 1.00 0.00 H new ATOM 991 N GLU A 67 -18.982 -2.144 -8.415 1.00 0.00 N ATOM 992 CA GLU A 67 -19.065 -1.099 -9.428 1.00 0.00 C ATOM 993 C GLU A 67 -19.316 -1.697 -10.809 1.00 0.00 C ATOM 994 O GLU A 67 -20.268 -1.324 -11.495 1.00 0.00 O ATOM 995 CB GLU A 67 -17.778 -0.272 -9.445 1.00 0.00 C ATOM 996 CG GLU A 67 -17.588 0.585 -8.205 1.00 0.00 C ATOM 997 CD GLU A 67 -16.738 1.813 -8.469 1.00 0.00 C ATOM 998 OE1 GLU A 67 -17.172 2.676 -9.261 1.00 0.00 O ATOM 999 OE2 GLU A 67 -15.640 1.912 -7.882 1.00 0.00 O ATOM 0 H GLU A 67 -18.266 -2.848 -8.593 1.00 0.00 H new ATOM 0 HA GLU A 67 -19.903 -0.450 -9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -16.926 -0.944 -9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.782 0.372 -10.324 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.563 0.896 -7.830 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -17.122 -0.013 -7.422 1.00 0.00 H new ATOM 1006 N ALA A 68 -18.456 -2.627 -11.210 1.00 0.00 N ATOM 1007 CA ALA A 68 -18.585 -3.279 -12.507 1.00 0.00 C ATOM 1008 C ALA A 68 -18.801 -4.780 -12.348 1.00 0.00 C ATOM 1009 O ALA A 68 -17.924 -5.495 -11.862 1.00 0.00 O ATOM 1010 CB ALA A 68 -17.354 -3.008 -13.359 1.00 0.00 C ATOM 0 H ALA A 68 -17.662 -2.946 -10.655 1.00 0.00 H new ATOM 0 HA ALA A 68 -19.459 -2.864 -13.009 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -17.464 -3.501 -14.325 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -17.245 -1.934 -13.510 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -16.469 -3.395 -12.853 1.00 0.00 H new ATOM 1016 N SER A 69 -19.973 -5.252 -12.761 1.00 0.00 N ATOM 1017 CA SER A 69 -20.306 -6.668 -12.660 1.00 0.00 C ATOM 1018 C SER A 69 -19.133 -7.535 -13.110 1.00 0.00 C ATOM 1019 O SER A 69 -18.661 -7.422 -14.240 1.00 0.00 O ATOM 1020 CB SER A 69 -21.542 -6.985 -13.504 1.00 0.00 C ATOM 1021 OG SER A 69 -22.733 -6.701 -12.790 1.00 0.00 O ATOM 0 H SER A 69 -20.708 -4.674 -13.169 1.00 0.00 H new ATOM 0 HA SER A 69 -20.522 -6.892 -11.615 1.00 0.00 H new ATOM 0 HB2 SER A 69 -21.518 -6.401 -14.424 1.00 0.00 H new ATOM 0 HB3 SER A 69 -21.529 -8.036 -13.793 1.00 0.00 H new ATOM 0 HG SER A 69 -23.509 -6.910 -13.351 1.00 0.00 H new ATOM 1027 N GLY A 70 -18.668 -8.401 -12.214 1.00 0.00 N ATOM 1028 CA GLY A 70 -17.554 -9.274 -12.536 1.00 0.00 C ATOM 1029 C GLY A 70 -17.538 -10.529 -11.687 1.00 0.00 C ATOM 1030 O GLY A 70 -18.574 -11.000 -11.216 1.00 0.00 O ATOM 0 H GLY A 70 -19.043 -8.513 -11.272 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.606 -9.552 -13.589 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -16.619 -8.732 -12.395 1.00 0.00 H new ATOM 1034 N PRO A 71 -16.338 -11.093 -11.481 1.00 0.00 N ATOM 1035 CA PRO A 71 -16.162 -12.310 -10.682 1.00 0.00 C ATOM 1036 C PRO A 71 -16.414 -12.070 -9.197 1.00 0.00 C ATOM 1037 O PRO A 71 -16.322 -12.991 -8.386 1.00 0.00 O ATOM 1038 CB PRO A 71 -14.697 -12.683 -10.923 1.00 0.00 C ATOM 1039 CG PRO A 71 -14.032 -11.398 -11.275 1.00 0.00 C ATOM 1040 CD PRO A 71 -15.062 -10.586 -12.011 1.00 0.00 C ATOM 0 HA PRO A 71 -16.867 -13.091 -10.967 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.251 -13.129 -10.034 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.601 -13.412 -11.728 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -13.691 -10.877 -10.380 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -13.154 -11.571 -11.897 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.943 -9.519 -11.821 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.990 -10.728 -13.089 1.00 0.00 H new ATOM 1048 N SER A 72 -16.731 -10.827 -8.849 1.00 0.00 N ATOM 1049 CA SER A 72 -16.993 -10.466 -7.460 1.00 0.00 C ATOM 1050 C SER A 72 -18.008 -11.416 -6.834 1.00 0.00 C ATOM 1051 O SER A 72 -18.757 -12.094 -7.537 1.00 0.00 O ATOM 1052 CB SER A 72 -17.503 -9.026 -7.373 1.00 0.00 C ATOM 1053 OG SER A 72 -18.888 -8.957 -7.667 1.00 0.00 O ATOM 0 H SER A 72 -16.813 -10.053 -9.509 1.00 0.00 H new ATOM 0 HA SER A 72 -16.057 -10.547 -6.907 1.00 0.00 H new ATOM 0 HB2 SER A 72 -17.320 -8.632 -6.373 1.00 0.00 H new ATOM 0 HB3 SER A 72 -16.948 -8.398 -8.070 1.00 0.00 H new ATOM 0 HG SER A 72 -19.190 -8.027 -7.603 1.00 0.00 H new ATOM 1059 N SER A 73 -18.028 -11.459 -5.505 1.00 0.00 N ATOM 1060 CA SER A 73 -18.948 -12.329 -4.782 1.00 0.00 C ATOM 1061 C SER A 73 -19.308 -11.731 -3.425 1.00 0.00 C ATOM 1062 O SER A 73 -18.481 -11.089 -2.779 1.00 0.00 O ATOM 1063 CB SER A 73 -18.331 -13.716 -4.594 1.00 0.00 C ATOM 1064 OG SER A 73 -17.314 -13.692 -3.608 1.00 0.00 O ATOM 0 H SER A 73 -17.418 -10.901 -4.908 1.00 0.00 H new ATOM 0 HA SER A 73 -19.860 -12.422 -5.372 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.106 -14.426 -4.305 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.917 -14.064 -5.540 1.00 0.00 H new ATOM 0 HG SER A 73 -16.937 -14.591 -3.505 1.00 0.00 H new ATOM 1070 N GLY A 74 -20.549 -11.948 -3.000 1.00 0.00 N ATOM 1071 CA GLY A 74 -20.997 -11.424 -1.723 1.00 0.00 C ATOM 1072 C GLY A 74 -21.666 -10.070 -1.854 1.00 0.00 C ATOM 1073 O GLY A 74 -22.414 -9.861 -2.807 1.00 0.00 O ATOM 0 H GLY A 74 -21.252 -12.477 -3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -21.695 -12.128 -1.270 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -20.145 -11.341 -1.049 1.00 0.00 H new TER 1077 GLY A 74 HETATM 1078 ZN ZN A 201 3.100 -9.307 -1.973 1.00 0.00 ZN HETATM 1079 ZN ZN A 401 -5.998 -2.823 -3.975 1.00 0.00 ZN