USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 700 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 140:sc= 0 USER MOD Single : A 5 SER OG : rot 42:sc= 1.07 USER MOD Single : A 6 SER OG : rot 68:sc= 1.26 USER MOD Single : A 8 GLN : amide:sc= -0.0147 K(o=-0.015,f=-1.6!) USER MOD Single : A 10 SER OG : rot 180:sc=-0.00497 USER MOD Single : A 12 SER OG : rot 180:sc= 0.123 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -68:sc= 1.02 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 88:sc= 0.0789 USER MOD Single : A 38 TYR OH : rot -15:sc= -0.113 USER MOD Single : A 39 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.028) USER MOD Single : A 44 MET CE :methyl -176:sc= -1.55 (180deg=-1.59) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 77:sc= 0.849 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -0.204 K(o=-0.2,f=-0.96) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -76:sc= 0.0388 USER MOD Single : A 81 GLN : amide:sc= -1.02 X(o=-1,f=-1) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 37:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.389 23.843 8.754 1.00 0.00 N ATOM 2 CA GLY A 1 -13.695 23.459 9.972 1.00 0.00 C ATOM 3 C GLY A 1 -14.121 22.062 10.429 1.00 0.00 C ATOM 4 O GLY A 1 -15.273 21.852 10.804 1.00 0.00 O ATOM 0 H1 GLY A 1 -14.083 24.794 8.465 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.167 23.163 7.999 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.415 23.847 8.925 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.618 23.477 9.803 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.906 24.183 10.759 1.00 0.00 H new ATOM 8 N SER A 2 -13.168 21.143 10.382 1.00 0.00 N ATOM 9 CA SER A 2 -13.430 19.772 10.786 1.00 0.00 C ATOM 10 C SER A 2 -14.449 19.134 9.841 1.00 0.00 C ATOM 11 O SER A 2 -15.644 19.406 9.935 1.00 0.00 O ATOM 12 CB SER A 2 -13.933 19.710 12.230 1.00 0.00 C ATOM 13 OG SER A 2 -12.885 19.416 13.149 1.00 0.00 O ATOM 0 H SER A 2 -12.213 21.321 10.070 1.00 0.00 H new ATOM 0 HA SER A 2 -12.495 19.214 10.731 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.391 20.663 12.495 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.710 18.950 12.311 1.00 0.00 H new ATOM 0 HG SER A 2 -13.247 19.387 14.059 1.00 0.00 H new ATOM 19 N SER A 3 -13.938 18.296 8.950 1.00 0.00 N ATOM 20 CA SER A 3 -14.788 17.616 7.988 1.00 0.00 C ATOM 21 C SER A 3 -15.792 16.721 8.717 1.00 0.00 C ATOM 22 O SER A 3 -15.414 15.945 9.594 1.00 0.00 O ATOM 23 CB SER A 3 -13.957 16.790 7.005 1.00 0.00 C ATOM 24 OG SER A 3 -12.947 17.571 6.371 1.00 0.00 O ATOM 0 H SER A 3 -12.946 18.073 8.875 1.00 0.00 H new ATOM 0 HA SER A 3 -15.330 18.371 7.418 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.493 15.957 7.533 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.613 16.361 6.247 1.00 0.00 H new ATOM 0 HG SER A 3 -12.123 17.045 6.300 1.00 0.00 H new ATOM 30 N GLY A 4 -17.051 16.858 8.328 1.00 0.00 N ATOM 31 CA GLY A 4 -18.111 16.071 8.935 1.00 0.00 C ATOM 32 C GLY A 4 -18.665 15.043 7.946 1.00 0.00 C ATOM 33 O GLY A 4 -17.965 14.621 7.026 1.00 0.00 O ATOM 0 H GLY A 4 -17.361 17.502 7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.729 15.561 9.820 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.913 16.730 9.268 1.00 0.00 H new ATOM 37 N SER A 5 -19.917 14.670 8.168 1.00 0.00 N ATOM 38 CA SER A 5 -20.573 13.700 7.308 1.00 0.00 C ATOM 39 C SER A 5 -22.031 14.102 7.082 1.00 0.00 C ATOM 40 O SER A 5 -22.936 13.543 7.700 1.00 0.00 O ATOM 41 CB SER A 5 -20.496 12.294 7.906 1.00 0.00 C ATOM 42 OG SER A 5 -21.240 12.187 9.116 1.00 0.00 O ATOM 0 H SER A 5 -20.495 15.022 8.931 1.00 0.00 H new ATOM 0 HA SER A 5 -20.055 13.687 6.349 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.874 11.571 7.183 1.00 0.00 H new ATOM 0 HB3 SER A 5 -19.454 12.038 8.097 1.00 0.00 H new ATOM 0 HG SER A 5 -22.095 12.656 9.017 1.00 0.00 H new ATOM 48 N SER A 6 -22.215 15.069 6.195 1.00 0.00 N ATOM 49 CA SER A 6 -23.548 15.553 5.880 1.00 0.00 C ATOM 50 C SER A 6 -23.463 16.716 4.890 1.00 0.00 C ATOM 51 O SER A 6 -23.311 17.868 5.292 1.00 0.00 O ATOM 52 CB SER A 6 -24.290 15.987 7.146 1.00 0.00 C ATOM 53 OG SER A 6 -25.112 14.947 7.667 1.00 0.00 O ATOM 0 H SER A 6 -21.462 15.531 5.684 1.00 0.00 H new ATOM 0 HA SER A 6 -24.109 14.737 5.424 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.567 16.291 7.903 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.906 16.859 6.924 1.00 0.00 H new ATOM 0 HG SER A 6 -24.547 14.221 8.003 1.00 0.00 H new ATOM 59 N GLY A 7 -23.565 16.373 3.614 1.00 0.00 N ATOM 60 CA GLY A 7 -23.501 17.374 2.563 1.00 0.00 C ATOM 61 C GLY A 7 -22.112 18.012 2.497 1.00 0.00 C ATOM 62 O GLY A 7 -21.107 17.349 2.753 1.00 0.00 O ATOM 0 H GLY A 7 -23.691 15.416 3.285 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.740 16.915 1.604 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -24.251 18.144 2.743 1.00 0.00 H new ATOM 66 N GLN A 8 -22.099 19.292 2.152 1.00 0.00 N ATOM 67 CA GLN A 8 -20.849 20.026 2.050 1.00 0.00 C ATOM 68 C GLN A 8 -19.791 19.177 1.344 1.00 0.00 C ATOM 69 O GLN A 8 -19.081 18.404 1.985 1.00 0.00 O ATOM 70 CB GLN A 8 -20.362 20.475 3.429 1.00 0.00 C ATOM 71 CG GLN A 8 -21.233 21.608 3.976 1.00 0.00 C ATOM 72 CD GLN A 8 -20.490 22.397 5.057 1.00 0.00 C ATOM 73 OE1 GLN A 8 -19.334 22.151 5.357 1.00 0.00 O ATOM 74 NE2 GLN A 8 -21.218 23.355 5.623 1.00 0.00 N ATOM 0 H GLN A 8 -22.934 19.839 1.940 1.00 0.00 H new ATOM 0 HA GLN A 8 -21.024 20.922 1.454 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.382 19.631 4.118 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -19.326 20.808 3.362 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -21.519 22.277 3.164 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -22.154 21.197 4.389 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -22.181 23.508 5.324 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -20.813 23.937 6.356 1.00 0.00 H new ATOM 83 N ASP A 9 -19.718 19.349 0.032 1.00 0.00 N ATOM 84 CA ASP A 9 -18.758 18.608 -0.768 1.00 0.00 C ATOM 85 C ASP A 9 -17.620 19.542 -1.185 1.00 0.00 C ATOM 86 O ASP A 9 -17.844 20.722 -1.447 1.00 0.00 O ATOM 87 CB ASP A 9 -19.408 18.058 -2.039 1.00 0.00 C ATOM 88 CG ASP A 9 -19.587 19.077 -3.167 1.00 0.00 C ATOM 89 OD1 ASP A 9 -20.348 20.043 -2.943 1.00 0.00 O ATOM 90 OD2 ASP A 9 -18.959 18.866 -4.227 1.00 0.00 O ATOM 0 H ASP A 9 -20.308 19.991 -0.497 1.00 0.00 H new ATOM 0 HA ASP A 9 -18.386 17.779 -0.166 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -18.803 17.231 -2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -20.385 17.648 -1.782 1.00 0.00 H new ATOM 95 N SER A 10 -16.422 18.977 -1.234 1.00 0.00 N ATOM 96 CA SER A 10 -15.248 19.744 -1.615 1.00 0.00 C ATOM 97 C SER A 10 -14.225 18.832 -2.295 1.00 0.00 C ATOM 98 O SER A 10 -14.501 17.659 -2.541 1.00 0.00 O ATOM 99 CB SER A 10 -14.621 20.431 -0.400 1.00 0.00 C ATOM 100 OG SER A 10 -15.538 21.309 0.248 1.00 0.00 O ATOM 0 H SER A 10 -16.239 17.997 -1.016 1.00 0.00 H new ATOM 0 HA SER A 10 -15.558 20.518 -2.317 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.280 19.676 0.308 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.742 20.993 -0.715 1.00 0.00 H new ATOM 0 HG SER A 10 -15.101 21.727 1.019 1.00 0.00 H new ATOM 106 N ASP A 11 -13.066 19.406 -2.581 1.00 0.00 N ATOM 107 CA ASP A 11 -12.000 18.660 -3.229 1.00 0.00 C ATOM 108 C ASP A 11 -11.365 17.705 -2.216 1.00 0.00 C ATOM 109 O ASP A 11 -11.581 16.496 -2.277 1.00 0.00 O ATOM 110 CB ASP A 11 -10.907 19.597 -3.746 1.00 0.00 C ATOM 111 CG ASP A 11 -10.706 19.581 -5.263 1.00 0.00 C ATOM 112 OD1 ASP A 11 -11.728 19.444 -5.969 1.00 0.00 O ATOM 113 OD2 ASP A 11 -9.535 19.706 -5.681 1.00 0.00 O ATOM 0 H ASP A 11 -12.841 20.380 -2.376 1.00 0.00 H new ATOM 0 HA ASP A 11 -12.432 18.114 -4.068 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.146 20.615 -3.437 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -9.965 19.331 -3.267 1.00 0.00 H new ATOM 118 N SER A 12 -10.592 18.285 -1.309 1.00 0.00 N ATOM 119 CA SER A 12 -9.924 17.500 -0.284 1.00 0.00 C ATOM 120 C SER A 12 -10.925 16.563 0.394 1.00 0.00 C ATOM 121 O SER A 12 -10.543 15.522 0.926 1.00 0.00 O ATOM 122 CB SER A 12 -9.256 18.405 0.754 1.00 0.00 C ATOM 123 OG SER A 12 -9.224 19.766 0.334 1.00 0.00 O ATOM 0 H SER A 12 -10.413 19.288 -1.263 1.00 0.00 H new ATOM 0 HA SER A 12 -9.146 16.904 -0.762 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.793 18.330 1.700 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.239 18.058 0.937 1.00 0.00 H new ATOM 0 HG SER A 12 -8.792 20.311 1.024 1.00 0.00 H new ATOM 129 N THR A 13 -12.186 16.965 0.351 1.00 0.00 N ATOM 130 CA THR A 13 -13.245 16.174 0.955 1.00 0.00 C ATOM 131 C THR A 13 -13.181 14.729 0.456 1.00 0.00 C ATOM 132 O THR A 13 -12.970 13.806 1.241 1.00 0.00 O ATOM 133 CB THR A 13 -14.578 16.862 0.656 1.00 0.00 C ATOM 134 OG1 THR A 13 -14.757 17.761 1.747 1.00 0.00 O ATOM 135 CG2 THR A 13 -15.768 15.905 0.763 1.00 0.00 C ATOM 0 H THR A 13 -12.499 17.828 -0.093 1.00 0.00 H new ATOM 0 HA THR A 13 -13.128 16.117 2.037 1.00 0.00 H new ATOM 0 HB THR A 13 -14.547 17.293 -0.345 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.598 18.251 1.633 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.689 16.444 0.541 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.644 15.089 0.051 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.819 15.499 1.773 1.00 0.00 H new ATOM 143 N ALA A 14 -13.368 14.578 -0.847 1.00 0.00 N ATOM 144 CA ALA A 14 -13.334 13.261 -1.460 1.00 0.00 C ATOM 145 C ALA A 14 -12.195 12.446 -0.845 1.00 0.00 C ATOM 146 O ALA A 14 -12.335 11.244 -0.625 1.00 0.00 O ATOM 147 CB ALA A 14 -13.194 13.407 -2.976 1.00 0.00 C ATOM 0 H ALA A 14 -13.544 15.346 -1.495 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.263 12.725 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.168 12.419 -3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.043 13.968 -3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.271 13.938 -3.207 1.00 0.00 H new ATOM 153 N ALA A 15 -11.092 13.132 -0.584 1.00 0.00 N ATOM 154 CA ALA A 15 -9.930 12.487 0.002 1.00 0.00 C ATOM 155 C ALA A 15 -10.272 12.016 1.416 1.00 0.00 C ATOM 156 O ALA A 15 -10.023 10.863 1.768 1.00 0.00 O ATOM 157 CB ALA A 15 -8.744 13.454 -0.020 1.00 0.00 C ATOM 0 H ALA A 15 -10.979 14.129 -0.768 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.646 11.609 -0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.872 12.970 0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.523 13.735 -1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.992 14.347 0.554 1.00 0.00 H new ATOM 163 N VAL A 16 -10.837 12.930 2.190 1.00 0.00 N ATOM 164 CA VAL A 16 -11.216 12.623 3.559 1.00 0.00 C ATOM 165 C VAL A 16 -12.059 11.346 3.575 1.00 0.00 C ATOM 166 O VAL A 16 -11.904 10.506 4.460 1.00 0.00 O ATOM 167 CB VAL A 16 -11.932 13.820 4.185 1.00 0.00 C ATOM 168 CG1 VAL A 16 -12.226 13.570 5.666 1.00 0.00 C ATOM 169 CG2 VAL A 16 -11.122 15.104 3.996 1.00 0.00 C ATOM 0 H VAL A 16 -11.042 13.885 1.895 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.331 12.437 4.168 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.885 13.947 3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.736 14.437 6.087 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.862 12.691 5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.290 13.405 6.200 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.654 15.940 4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.147 14.993 4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.987 15.296 2.932 1.00 0.00 H new ATOM 179 N ALA A 17 -12.934 11.240 2.585 1.00 0.00 N ATOM 180 CA ALA A 17 -13.802 10.080 2.475 1.00 0.00 C ATOM 181 C ALA A 17 -12.987 8.884 1.981 1.00 0.00 C ATOM 182 O ALA A 17 -12.904 7.862 2.662 1.00 0.00 O ATOM 183 CB ALA A 17 -14.976 10.407 1.549 1.00 0.00 C ATOM 0 H ALA A 17 -13.060 11.938 1.852 1.00 0.00 H new ATOM 0 HA ALA A 17 -14.217 9.817 3.448 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.627 9.537 1.466 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.540 11.245 1.959 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.598 10.672 0.562 1.00 0.00 H new ATOM 189 N VAL A 18 -12.406 9.049 0.802 1.00 0.00 N ATOM 190 CA VAL A 18 -11.600 7.995 0.210 1.00 0.00 C ATOM 191 C VAL A 18 -10.614 7.466 1.254 1.00 0.00 C ATOM 192 O VAL A 18 -10.359 6.265 1.319 1.00 0.00 O ATOM 193 CB VAL A 18 -10.912 8.511 -1.055 1.00 0.00 C ATOM 194 CG1 VAL A 18 -9.471 8.935 -0.762 1.00 0.00 C ATOM 195 CG2 VAL A 18 -10.959 7.464 -2.170 1.00 0.00 C ATOM 0 H VAL A 18 -12.477 9.897 0.240 1.00 0.00 H new ATOM 0 HA VAL A 18 -12.229 7.159 -0.096 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.457 9.391 -1.397 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.005 9.298 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.470 9.729 -0.015 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.910 8.080 -0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.463 7.856 -3.058 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.450 6.558 -1.840 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -11.997 7.231 -2.407 1.00 0.00 H new ATOM 205 N LEU A 19 -10.085 8.390 2.043 1.00 0.00 N ATOM 206 CA LEU A 19 -9.133 8.031 3.080 1.00 0.00 C ATOM 207 C LEU A 19 -9.848 7.228 4.168 1.00 0.00 C ATOM 208 O LEU A 19 -9.343 6.200 4.619 1.00 0.00 O ATOM 209 CB LEU A 19 -8.419 9.278 3.606 1.00 0.00 C ATOM 210 CG LEU A 19 -7.410 9.925 2.654 1.00 0.00 C ATOM 211 CD1 LEU A 19 -6.812 11.192 3.268 1.00 0.00 C ATOM 212 CD2 LEU A 19 -6.329 8.925 2.239 1.00 0.00 C ATOM 0 H LEU A 19 -10.298 9.386 1.985 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.351 7.390 2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.173 10.022 3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.901 9.014 4.528 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.938 10.224 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.098 11.632 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.608 11.908 3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.303 10.940 4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.625 9.410 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.799 8.574 3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.792 8.077 1.734 1.00 0.00 H new ATOM 224 N LYS A 20 -11.012 7.726 4.559 1.00 0.00 N ATOM 225 CA LYS A 20 -11.801 7.067 5.585 1.00 0.00 C ATOM 226 C LYS A 20 -12.090 5.627 5.155 1.00 0.00 C ATOM 227 O LYS A 20 -11.941 4.698 5.947 1.00 0.00 O ATOM 228 CB LYS A 20 -13.060 7.880 5.897 1.00 0.00 C ATOM 229 CG LYS A 20 -13.349 7.887 7.400 1.00 0.00 C ATOM 230 CD LYS A 20 -13.139 9.282 7.991 1.00 0.00 C ATOM 231 CE LYS A 20 -12.505 9.199 9.381 1.00 0.00 C ATOM 232 NZ LYS A 20 -13.297 9.976 10.360 1.00 0.00 N ATOM 0 H LYS A 20 -11.427 8.578 4.183 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.243 7.015 6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.934 8.903 5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.911 7.459 5.361 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.374 7.563 7.578 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.697 7.173 7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.500 9.868 7.330 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -14.095 9.802 8.054 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.445 8.158 9.698 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.485 9.581 9.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.852 9.909 11.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -13.333 10.973 10.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -14.263 9.594 10.407 1.00 0.00 H new ATOM 246 N ARG A 21 -12.497 5.488 3.902 1.00 0.00 N ATOM 247 CA ARG A 21 -12.808 4.177 3.358 1.00 0.00 C ATOM 248 C ARG A 21 -11.554 3.301 3.336 1.00 0.00 C ATOM 249 O ARG A 21 -11.552 2.200 3.885 1.00 0.00 O ATOM 250 CB ARG A 21 -13.368 4.289 1.938 1.00 0.00 C ATOM 251 CG ARG A 21 -14.885 4.484 1.962 1.00 0.00 C ATOM 252 CD ARG A 21 -15.599 3.188 2.349 1.00 0.00 C ATOM 253 NE ARG A 21 -17.012 3.470 2.690 1.00 0.00 N ATOM 254 CZ ARG A 21 -17.960 2.529 2.800 1.00 0.00 C ATOM 255 NH1 ARG A 21 -17.653 1.241 2.596 1.00 0.00 N ATOM 256 NH2 ARG A 21 -19.215 2.878 3.114 1.00 0.00 N ATOM 0 H ARG A 21 -12.619 6.261 3.248 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.563 3.722 4.000 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.898 5.127 1.423 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.122 3.389 1.374 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.143 5.271 2.671 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.228 4.813 0.981 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.550 2.476 1.525 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.096 2.726 3.199 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.281 4.441 2.851 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.697 0.976 2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.375 0.525 2.680 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.448 3.859 3.269 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -19.937 2.163 3.198 1.00 0.00 H new ATOM 270 N ALA A 22 -10.518 3.822 2.696 1.00 0.00 N ATOM 271 CA ALA A 22 -9.260 3.101 2.596 1.00 0.00 C ATOM 272 C ALA A 22 -8.934 2.463 3.948 1.00 0.00 C ATOM 273 O ALA A 22 -8.679 1.262 4.027 1.00 0.00 O ATOM 274 CB ALA A 22 -8.162 4.053 2.119 1.00 0.00 C ATOM 0 H ALA A 22 -10.524 4.735 2.241 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.335 2.298 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.219 3.512 2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.428 4.455 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.055 4.871 2.831 1.00 0.00 H new ATOM 280 N VAL A 23 -8.951 3.296 4.978 1.00 0.00 N ATOM 281 CA VAL A 23 -8.660 2.829 6.323 1.00 0.00 C ATOM 282 C VAL A 23 -9.491 1.578 6.615 1.00 0.00 C ATOM 283 O VAL A 23 -8.963 0.577 7.098 1.00 0.00 O ATOM 284 CB VAL A 23 -8.899 3.954 7.331 1.00 0.00 C ATOM 285 CG1 VAL A 23 -9.207 3.390 8.720 1.00 0.00 C ATOM 286 CG2 VAL A 23 -7.706 4.910 7.380 1.00 0.00 C ATOM 0 H VAL A 23 -9.162 4.292 4.908 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.610 2.550 6.411 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.769 4.521 6.999 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.373 4.211 9.418 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.102 2.770 8.671 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.366 2.787 9.063 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.903 5.700 8.105 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.812 4.361 7.675 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.552 5.351 6.395 1.00 0.00 H new ATOM 296 N GLU A 24 -10.776 1.675 6.308 1.00 0.00 N ATOM 297 CA GLU A 24 -11.685 0.564 6.532 1.00 0.00 C ATOM 298 C GLU A 24 -11.211 -0.672 5.765 1.00 0.00 C ATOM 299 O GLU A 24 -10.896 -1.698 6.367 1.00 0.00 O ATOM 300 CB GLU A 24 -13.115 0.938 6.138 1.00 0.00 C ATOM 301 CG GLU A 24 -13.639 2.087 7.001 1.00 0.00 C ATOM 302 CD GLU A 24 -13.859 1.633 8.446 1.00 0.00 C ATOM 303 OE1 GLU A 24 -14.890 0.964 8.679 1.00 0.00 O ATOM 304 OE2 GLU A 24 -12.993 1.963 9.283 1.00 0.00 O ATOM 0 H GLU A 24 -11.209 2.506 5.906 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.686 0.329 7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.143 1.226 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.765 0.070 6.248 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.930 2.915 6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.576 2.460 6.587 1.00 0.00 H new ATOM 311 N LEU A 25 -11.174 -0.534 4.447 1.00 0.00 N ATOM 312 CA LEU A 25 -10.743 -1.627 3.592 1.00 0.00 C ATOM 313 C LEU A 25 -9.466 -2.244 4.165 1.00 0.00 C ATOM 314 O LEU A 25 -9.339 -3.465 4.232 1.00 0.00 O ATOM 315 CB LEU A 25 -10.601 -1.150 2.145 1.00 0.00 C ATOM 316 CG LEU A 25 -11.904 -0.797 1.424 1.00 0.00 C ATOM 317 CD1 LEU A 25 -11.631 0.068 0.192 1.00 0.00 C ATOM 318 CD2 LEU A 25 -12.696 -2.058 1.075 1.00 0.00 C ATOM 0 H LEU A 25 -11.435 0.318 3.951 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.496 -2.415 3.571 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.954 -0.273 2.134 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.093 -1.928 1.575 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.521 -0.207 2.102 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.573 0.305 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.139 0.992 0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.986 -0.475 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.617 -1.779 0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.098 -2.695 0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.938 -2.600 1.989 1.00 0.00 H new ATOM 330 N ASP A 26 -8.552 -1.371 4.562 1.00 0.00 N ATOM 331 CA ASP A 26 -7.289 -1.815 5.127 1.00 0.00 C ATOM 332 C ASP A 26 -7.562 -2.692 6.351 1.00 0.00 C ATOM 333 O ASP A 26 -6.866 -3.679 6.580 1.00 0.00 O ATOM 334 CB ASP A 26 -6.439 -0.626 5.578 1.00 0.00 C ATOM 335 CG ASP A 26 -4.974 -0.674 5.138 1.00 0.00 C ATOM 336 OD1 ASP A 26 -4.747 -1.023 3.959 1.00 0.00 O ATOM 337 OD2 ASP A 26 -4.115 -0.360 5.989 1.00 0.00 O ATOM 0 H ASP A 26 -8.661 -0.359 4.504 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.753 -2.371 4.358 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.888 0.289 5.193 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.474 -0.565 6.666 1.00 0.00 H new ATOM 342 N ALA A 27 -8.578 -2.299 7.105 1.00 0.00 N ATOM 343 CA ALA A 27 -8.952 -3.036 8.300 1.00 0.00 C ATOM 344 C ALA A 27 -9.723 -4.295 7.896 1.00 0.00 C ATOM 345 O ALA A 27 -9.745 -5.278 8.636 1.00 0.00 O ATOM 346 CB ALA A 27 -9.763 -2.129 9.228 1.00 0.00 C ATOM 0 H ALA A 27 -9.154 -1.480 6.912 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.065 -3.353 8.848 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.043 -2.683 10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.161 -1.264 9.509 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.663 -1.793 8.713 1.00 0.00 H new ATOM 352 N GLU A 28 -10.336 -4.225 6.724 1.00 0.00 N ATOM 353 CA GLU A 28 -11.106 -5.346 6.213 1.00 0.00 C ATOM 354 C GLU A 28 -10.187 -6.336 5.493 1.00 0.00 C ATOM 355 O GLU A 28 -10.645 -7.365 4.998 1.00 0.00 O ATOM 356 CB GLU A 28 -12.227 -4.866 5.289 1.00 0.00 C ATOM 357 CG GLU A 28 -13.235 -4.005 6.052 1.00 0.00 C ATOM 358 CD GLU A 28 -14.534 -4.773 6.302 1.00 0.00 C ATOM 359 OE1 GLU A 28 -14.571 -5.514 7.308 1.00 0.00 O ATOM 360 OE2 GLU A 28 -15.461 -4.602 5.482 1.00 0.00 O ATOM 0 H GLU A 28 -10.315 -3.409 6.113 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.570 -5.858 7.056 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.803 -4.292 4.465 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.735 -5.725 4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.805 -3.692 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.448 -3.099 5.485 1.00 0.00 H new ATOM 367 N SER A 29 -8.909 -5.990 5.459 1.00 0.00 N ATOM 368 CA SER A 29 -7.922 -6.836 4.808 1.00 0.00 C ATOM 369 C SER A 29 -7.967 -6.621 3.293 1.00 0.00 C ATOM 370 O SER A 29 -7.213 -7.248 2.551 1.00 0.00 O ATOM 371 CB SER A 29 -8.155 -8.311 5.142 1.00 0.00 C ATOM 372 OG SER A 29 -9.013 -8.944 4.197 1.00 0.00 O ATOM 0 H SER A 29 -8.534 -5.136 5.871 1.00 0.00 H new ATOM 0 HA SER A 29 -6.935 -6.559 5.179 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.198 -8.832 5.168 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.590 -8.393 6.138 1.00 0.00 H new ATOM 0 HG SER A 29 -9.918 -8.579 4.281 1.00 0.00 H new ATOM 378 N ARG A 30 -8.860 -5.733 2.880 1.00 0.00 N ATOM 379 CA ARG A 30 -9.013 -5.428 1.467 1.00 0.00 C ATOM 380 C ARG A 30 -7.998 -4.365 1.041 1.00 0.00 C ATOM 381 O ARG A 30 -8.377 -3.257 0.664 1.00 0.00 O ATOM 382 CB ARG A 30 -10.426 -4.927 1.162 1.00 0.00 C ATOM 383 CG ARG A 30 -11.480 -5.861 1.759 1.00 0.00 C ATOM 384 CD ARG A 30 -12.893 -5.360 1.455 1.00 0.00 C ATOM 385 NE ARG A 30 -13.647 -6.392 0.710 1.00 0.00 N ATOM 386 CZ ARG A 30 -14.033 -7.564 1.233 1.00 0.00 C ATOM 387 NH1 ARG A 30 -13.738 -7.859 2.506 1.00 0.00 N ATOM 388 NH2 ARG A 30 -14.714 -8.441 0.482 1.00 0.00 N ATOM 0 H ARG A 30 -9.484 -5.215 3.498 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.838 -6.347 0.908 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.555 -3.923 1.566 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.566 -4.857 0.083 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.352 -6.865 1.355 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.340 -5.931 2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.410 -5.120 2.384 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.844 -4.441 0.871 1.00 0.00 H new ATOM 0 HE ARG A 30 -13.888 -6.200 -0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.220 -7.192 3.077 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.032 -8.751 2.904 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -14.938 -8.216 -0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.008 -9.333 0.880 1.00 0.00 H new ATOM 402 N TYR A 31 -6.730 -4.740 1.115 1.00 0.00 N ATOM 403 CA TYR A 31 -5.658 -3.833 0.741 1.00 0.00 C ATOM 404 C TYR A 31 -5.775 -3.422 -0.728 1.00 0.00 C ATOM 405 O TYR A 31 -5.543 -2.264 -1.073 1.00 0.00 O ATOM 406 CB TYR A 31 -4.357 -4.612 0.938 1.00 0.00 C ATOM 407 CG TYR A 31 -4.088 -5.017 2.389 1.00 0.00 C ATOM 408 CD1 TYR A 31 -4.176 -4.076 3.395 1.00 0.00 C ATOM 409 CD2 TYR A 31 -3.756 -6.322 2.691 1.00 0.00 C ATOM 410 CE1 TYR A 31 -3.922 -4.457 4.761 1.00 0.00 C ATOM 411 CE2 TYR A 31 -3.503 -6.703 4.057 1.00 0.00 C ATOM 412 CZ TYR A 31 -3.598 -5.751 5.024 1.00 0.00 C ATOM 413 OH TYR A 31 -3.359 -6.111 6.314 1.00 0.00 O ATOM 0 H TYR A 31 -6.420 -5.660 1.429 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.696 -2.925 1.343 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.386 -5.510 0.320 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.525 -4.006 0.580 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.435 -3.055 3.158 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.686 -7.058 1.903 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.987 -3.731 5.558 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.244 -7.721 4.308 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.140 -7.066 6.352 1.00 0.00 H new ATOM 423 N GLN A 32 -6.135 -4.393 -1.554 1.00 0.00 N ATOM 424 CA GLN A 32 -6.286 -4.147 -2.978 1.00 0.00 C ATOM 425 C GLN A 32 -7.274 -3.004 -3.218 1.00 0.00 C ATOM 426 O GLN A 32 -7.283 -2.400 -4.290 1.00 0.00 O ATOM 427 CB GLN A 32 -6.727 -5.416 -3.710 1.00 0.00 C ATOM 428 CG GLN A 32 -5.719 -5.802 -4.794 1.00 0.00 C ATOM 429 CD GLN A 32 -6.205 -5.364 -6.177 1.00 0.00 C ATOM 430 OE1 GLN A 32 -6.892 -6.087 -6.880 1.00 0.00 O ATOM 431 NE2 GLN A 32 -5.811 -4.143 -6.527 1.00 0.00 N ATOM 0 H GLN A 32 -6.327 -5.352 -1.264 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.317 -3.853 -3.381 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.831 -6.234 -2.997 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.707 -5.259 -4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.755 -5.340 -4.580 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.564 -6.881 -4.784 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.237 -3.590 -5.891 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.083 -3.759 -7.432 1.00 0.00 H new ATOM 440 N GLN A 33 -8.084 -2.742 -2.202 1.00 0.00 N ATOM 441 CA GLN A 33 -9.074 -1.682 -2.289 1.00 0.00 C ATOM 442 C GLN A 33 -8.628 -0.470 -1.469 1.00 0.00 C ATOM 443 O GLN A 33 -8.849 0.672 -1.870 1.00 0.00 O ATOM 444 CB GLN A 33 -10.448 -2.177 -1.833 1.00 0.00 C ATOM 445 CG GLN A 33 -10.929 -3.340 -2.704 1.00 0.00 C ATOM 446 CD GLN A 33 -12.457 -3.374 -2.778 1.00 0.00 C ATOM 447 OE1 GLN A 33 -13.121 -4.124 -2.082 1.00 0.00 O ATOM 448 NE2 GLN A 33 -12.974 -2.522 -3.659 1.00 0.00 N ATOM 0 H GLN A 33 -8.075 -3.245 -1.315 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.161 -1.378 -3.332 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.397 -2.495 -0.792 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.168 -1.360 -1.882 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.515 -3.243 -3.708 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.560 -4.281 -2.296 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.360 -1.922 -4.210 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.985 -2.468 -3.784 1.00 0.00 H new ATOM 457 N ALA A 34 -8.007 -0.759 -0.334 1.00 0.00 N ATOM 458 CA ALA A 34 -7.528 0.292 0.546 1.00 0.00 C ATOM 459 C ALA A 34 -6.352 1.011 -0.118 1.00 0.00 C ATOM 460 O ALA A 34 -6.023 2.139 0.246 1.00 0.00 O ATOM 461 CB ALA A 34 -7.154 -0.308 1.903 1.00 0.00 C ATOM 0 H ALA A 34 -7.825 -1.707 -0.004 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.310 1.031 0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.794 0.481 2.563 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.031 -0.780 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.370 -1.053 1.768 1.00 0.00 H new ATOM 467 N LEU A 35 -5.749 0.328 -1.080 1.00 0.00 N ATOM 468 CA LEU A 35 -4.617 0.887 -1.799 1.00 0.00 C ATOM 469 C LEU A 35 -5.094 2.052 -2.667 1.00 0.00 C ATOM 470 O LEU A 35 -4.706 3.198 -2.443 1.00 0.00 O ATOM 471 CB LEU A 35 -3.887 -0.206 -2.583 1.00 0.00 C ATOM 472 CG LEU A 35 -2.522 0.178 -3.157 1.00 0.00 C ATOM 473 CD1 LEU A 35 -2.672 0.842 -4.527 1.00 0.00 C ATOM 474 CD2 LEU A 35 -1.742 1.056 -2.177 1.00 0.00 C ATOM 0 H LEU A 35 -6.023 -0.608 -1.378 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.884 1.290 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.754 -1.068 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.528 -0.525 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.943 -0.734 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.687 1.105 -4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.159 0.151 -5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.277 1.744 -4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.776 1.314 -2.610 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.306 1.967 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.588 0.513 -1.245 1.00 0.00 H new ATOM 486 N VAL A 36 -5.929 1.720 -3.641 1.00 0.00 N ATOM 487 CA VAL A 36 -6.463 2.725 -4.544 1.00 0.00 C ATOM 488 C VAL A 36 -7.045 3.881 -3.727 1.00 0.00 C ATOM 489 O VAL A 36 -6.739 5.044 -3.986 1.00 0.00 O ATOM 490 CB VAL A 36 -7.483 2.089 -5.490 1.00 0.00 C ATOM 491 CG1 VAL A 36 -7.015 0.708 -5.953 1.00 0.00 C ATOM 492 CG2 VAL A 36 -8.864 2.008 -4.835 1.00 0.00 C ATOM 0 H VAL A 36 -6.249 0.769 -3.824 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.671 3.136 -5.170 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.566 2.727 -6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.758 0.278 -6.624 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.064 0.803 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.889 0.058 -5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.570 1.552 -5.529 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.803 1.403 -3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.204 3.011 -4.578 1.00 0.00 H new ATOM 502 N CYS A 37 -7.873 3.521 -2.758 1.00 0.00 N ATOM 503 CA CYS A 37 -8.500 4.513 -1.902 1.00 0.00 C ATOM 504 C CYS A 37 -7.409 5.439 -1.361 1.00 0.00 C ATOM 505 O CYS A 37 -7.446 6.648 -1.589 1.00 0.00 O ATOM 506 CB CYS A 37 -9.305 3.862 -0.776 1.00 0.00 C ATOM 507 SG CYS A 37 -10.870 3.183 -1.438 1.00 0.00 S ATOM 0 H CYS A 37 -8.124 2.555 -2.547 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.216 5.096 -2.481 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.721 3.067 -0.313 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.517 4.596 0.002 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.674 1.966 -1.852 1.00 0.00 H new ATOM 513 N TYR A 38 -6.463 4.838 -0.655 1.00 0.00 N ATOM 514 CA TYR A 38 -5.363 5.593 -0.080 1.00 0.00 C ATOM 515 C TYR A 38 -4.701 6.485 -1.133 1.00 0.00 C ATOM 516 O TYR A 38 -4.339 7.625 -0.847 1.00 0.00 O ATOM 517 CB TYR A 38 -4.347 4.557 0.405 1.00 0.00 C ATOM 518 CG TYR A 38 -4.594 4.064 1.832 1.00 0.00 C ATOM 519 CD1 TYR A 38 -4.978 4.955 2.813 1.00 0.00 C ATOM 520 CD2 TYR A 38 -4.433 2.728 2.138 1.00 0.00 C ATOM 521 CE1 TYR A 38 -5.211 4.491 4.156 1.00 0.00 C ATOM 522 CE2 TYR A 38 -4.665 2.264 3.481 1.00 0.00 C ATOM 523 CZ TYR A 38 -5.043 3.168 4.424 1.00 0.00 C ATOM 524 OH TYR A 38 -5.262 2.730 5.693 1.00 0.00 O ATOM 0 H TYR A 38 -6.436 3.836 -0.468 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.719 6.237 0.724 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.364 3.703 -0.272 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.348 4.989 0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.104 6.001 2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.133 2.030 1.370 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.512 5.178 4.933 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.542 1.221 3.734 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.287 3.496 6.304 1.00 0.00 H new ATOM 534 N GLN A 39 -4.563 5.932 -2.329 1.00 0.00 N ATOM 535 CA GLN A 39 -3.951 6.663 -3.425 1.00 0.00 C ATOM 536 C GLN A 39 -4.866 7.801 -3.881 1.00 0.00 C ATOM 537 O GLN A 39 -4.405 8.917 -4.114 1.00 0.00 O ATOM 538 CB GLN A 39 -3.618 5.727 -4.589 1.00 0.00 C ATOM 539 CG GLN A 39 -2.800 4.526 -4.111 1.00 0.00 C ATOM 540 CD GLN A 39 -1.318 4.702 -4.447 1.00 0.00 C ATOM 541 OE1 GLN A 39 -0.860 4.389 -5.533 1.00 0.00 O ATOM 542 NE2 GLN A 39 -0.597 5.220 -3.456 1.00 0.00 N ATOM 0 H GLN A 39 -4.865 4.986 -2.563 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.016 7.096 -3.070 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.540 5.381 -5.057 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.060 6.272 -5.350 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.920 4.405 -3.034 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.177 3.616 -4.578 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.044 5.460 -2.571 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.403 5.377 -3.581 1.00 0.00 H new ATOM 551 N GLU A 40 -6.146 7.479 -3.994 1.00 0.00 N ATOM 552 CA GLU A 40 -7.130 8.460 -4.417 1.00 0.00 C ATOM 553 C GLU A 40 -7.054 9.705 -3.531 1.00 0.00 C ATOM 554 O GLU A 40 -7.158 10.828 -4.022 1.00 0.00 O ATOM 555 CB GLU A 40 -8.539 7.864 -4.405 1.00 0.00 C ATOM 556 CG GLU A 40 -8.576 6.527 -5.148 1.00 0.00 C ATOM 557 CD GLU A 40 -9.619 6.549 -6.267 1.00 0.00 C ATOM 558 OE1 GLU A 40 -10.776 6.907 -5.957 1.00 0.00 O ATOM 559 OE2 GLU A 40 -9.236 6.208 -7.407 1.00 0.00 O ATOM 0 H GLU A 40 -6.524 6.552 -3.800 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.904 8.753 -5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.868 7.721 -3.376 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.236 8.561 -4.869 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.593 6.313 -5.567 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.806 5.724 -4.448 1.00 0.00 H new ATOM 566 N GLY A 41 -6.873 9.463 -2.241 1.00 0.00 N ATOM 567 CA GLY A 41 -6.781 10.551 -1.282 1.00 0.00 C ATOM 568 C GLY A 41 -5.453 11.297 -1.423 1.00 0.00 C ATOM 569 O GLY A 41 -5.436 12.516 -1.587 1.00 0.00 O ATOM 0 H GLY A 41 -6.788 8.530 -1.838 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.609 11.244 -1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.875 10.157 -0.270 1.00 0.00 H new ATOM 573 N ILE A 42 -4.372 10.534 -1.356 1.00 0.00 N ATOM 574 CA ILE A 42 -3.042 11.107 -1.474 1.00 0.00 C ATOM 575 C ILE A 42 -2.998 12.034 -2.690 1.00 0.00 C ATOM 576 O ILE A 42 -2.575 13.184 -2.583 1.00 0.00 O ATOM 577 CB ILE A 42 -1.984 10.003 -1.504 1.00 0.00 C ATOM 578 CG1 ILE A 42 -1.871 9.315 -0.143 1.00 0.00 C ATOM 579 CG2 ILE A 42 -0.637 10.548 -1.985 1.00 0.00 C ATOM 580 CD1 ILE A 42 -1.784 7.795 -0.302 1.00 0.00 C ATOM 0 H ILE A 42 -4.390 9.523 -1.221 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.810 11.715 -0.600 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.300 9.246 -2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.988 9.681 0.381 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.735 9.571 0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.098 9.743 -1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.747 10.954 -2.991 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.301 11.336 -1.310 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.704 7.330 0.681 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.680 7.430 -0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.906 7.541 -0.896 1.00 0.00 H new ATOM 592 N ASP A 43 -3.441 11.500 -3.819 1.00 0.00 N ATOM 593 CA ASP A 43 -3.458 12.265 -5.054 1.00 0.00 C ATOM 594 C ASP A 43 -4.271 13.544 -4.845 1.00 0.00 C ATOM 595 O ASP A 43 -3.876 14.616 -5.300 1.00 0.00 O ATOM 596 CB ASP A 43 -4.111 11.470 -6.186 1.00 0.00 C ATOM 597 CG ASP A 43 -3.152 10.999 -7.281 1.00 0.00 C ATOM 598 OD1 ASP A 43 -2.216 10.247 -6.932 1.00 0.00 O ATOM 599 OD2 ASP A 43 -3.376 11.401 -8.443 1.00 0.00 O ATOM 0 H ASP A 43 -3.791 10.546 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.427 12.494 -5.323 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.607 10.599 -5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.886 12.086 -6.643 1.00 0.00 H new ATOM 604 N MET A 44 -5.392 13.389 -4.156 1.00 0.00 N ATOM 605 CA MET A 44 -6.264 14.518 -3.882 1.00 0.00 C ATOM 606 C MET A 44 -5.587 15.519 -2.944 1.00 0.00 C ATOM 607 O MET A 44 -5.599 16.722 -3.200 1.00 0.00 O ATOM 608 CB MET A 44 -7.562 14.018 -3.244 1.00 0.00 C ATOM 609 CG MET A 44 -8.569 13.591 -4.314 1.00 0.00 C ATOM 610 SD MET A 44 -10.152 13.253 -3.561 1.00 0.00 S ATOM 611 CE MET A 44 -10.024 11.485 -3.350 1.00 0.00 C ATOM 0 H MET A 44 -5.716 12.498 -3.779 1.00 0.00 H new ATOM 0 HA MET A 44 -6.482 15.021 -4.824 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.347 13.177 -2.585 1.00 0.00 H new ATOM 0 HB3 MET A 44 -7.994 14.805 -2.626 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.673 14.377 -5.062 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.207 12.703 -4.833 1.00 0.00 H new ATOM 0 HE1 MET A 44 -10.963 11.097 -2.954 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.815 11.018 -4.312 1.00 0.00 H new ATOM 0 HE3 MET A 44 -9.216 11.259 -2.654 1.00 0.00 H new ATOM 621 N LEU A 45 -5.012 14.985 -1.876 1.00 0.00 N ATOM 622 CA LEU A 45 -4.331 15.816 -0.898 1.00 0.00 C ATOM 623 C LEU A 45 -3.175 16.552 -1.578 1.00 0.00 C ATOM 624 O LEU A 45 -3.053 17.770 -1.456 1.00 0.00 O ATOM 625 CB LEU A 45 -3.902 14.980 0.310 1.00 0.00 C ATOM 626 CG LEU A 45 -5.034 14.391 1.153 1.00 0.00 C ATOM 627 CD1 LEU A 45 -4.650 13.015 1.702 1.00 0.00 C ATOM 628 CD2 LEU A 45 -5.450 15.356 2.265 1.00 0.00 C ATOM 0 H LEU A 45 -5.004 13.987 -1.667 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.007 16.576 -0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.275 14.161 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.281 15.601 0.955 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.902 14.250 0.508 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.472 12.619 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.443 12.338 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.761 13.107 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.256 14.912 2.849 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.597 15.552 2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.794 16.292 1.825 1.00 0.00 H new ATOM 640 N LEU A 46 -2.355 15.782 -2.279 1.00 0.00 N ATOM 641 CA LEU A 46 -1.213 16.346 -2.978 1.00 0.00 C ATOM 642 C LEU A 46 -1.612 17.686 -3.600 1.00 0.00 C ATOM 643 O LEU A 46 -0.980 18.708 -3.339 1.00 0.00 O ATOM 644 CB LEU A 46 -0.654 15.342 -3.988 1.00 0.00 C ATOM 645 CG LEU A 46 0.559 14.531 -3.526 1.00 0.00 C ATOM 646 CD1 LEU A 46 1.155 13.729 -4.684 1.00 0.00 C ATOM 647 CD2 LEU A 46 1.599 15.433 -2.858 1.00 0.00 C ATOM 0 H LEU A 46 -2.459 14.772 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.401 16.547 -2.280 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.449 14.647 -4.258 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.381 15.882 -4.895 1.00 0.00 H new ATOM 0 HG LEU A 46 0.225 13.814 -2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.015 13.162 -4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.404 13.043 -5.076 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.471 14.410 -5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.451 14.832 -2.539 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.934 16.189 -3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.154 15.921 -1.991 1.00 0.00 H new ATOM 659 N GLN A 47 -2.659 17.637 -4.411 1.00 0.00 N ATOM 660 CA GLN A 47 -3.150 18.835 -5.072 1.00 0.00 C ATOM 661 C GLN A 47 -3.570 19.879 -4.035 1.00 0.00 C ATOM 662 O GLN A 47 -3.332 21.071 -4.218 1.00 0.00 O ATOM 663 CB GLN A 47 -4.306 18.504 -6.017 1.00 0.00 C ATOM 664 CG GLN A 47 -3.892 17.444 -7.040 1.00 0.00 C ATOM 665 CD GLN A 47 -4.187 17.914 -8.466 1.00 0.00 C ATOM 666 OE1 GLN A 47 -5.318 17.921 -8.924 1.00 0.00 O ATOM 667 NE2 GLN A 47 -3.109 18.306 -9.140 1.00 0.00 N ATOM 0 H GLN A 47 -3.181 16.787 -4.625 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.342 19.253 -5.672 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.159 18.145 -5.442 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.628 19.408 -6.534 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.828 17.229 -6.937 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.425 16.514 -6.842 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.191 18.275 -8.697 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.201 18.638 -10.100 1.00 0.00 H new ATOM 676 N VAL A 48 -4.188 19.392 -2.969 1.00 0.00 N ATOM 677 CA VAL A 48 -4.644 20.268 -1.903 1.00 0.00 C ATOM 678 C VAL A 48 -3.440 20.983 -1.286 1.00 0.00 C ATOM 679 O VAL A 48 -3.420 22.209 -1.198 1.00 0.00 O ATOM 680 CB VAL A 48 -5.455 19.470 -0.880 1.00 0.00 C ATOM 681 CG1 VAL A 48 -5.877 20.354 0.295 1.00 0.00 C ATOM 682 CG2 VAL A 48 -6.670 18.812 -1.536 1.00 0.00 C ATOM 0 H VAL A 48 -4.384 18.402 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.310 21.035 -2.298 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.816 18.678 -0.490 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.452 19.762 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -4.990 20.753 0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.490 21.177 -0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.229 18.251 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.311 19.581 -1.967 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.337 18.135 -2.322 1.00 0.00 H new ATOM 692 N LEU A 49 -2.466 20.184 -0.874 1.00 0.00 N ATOM 693 CA LEU A 49 -1.261 20.725 -0.268 1.00 0.00 C ATOM 694 C LEU A 49 -0.644 21.762 -1.208 1.00 0.00 C ATOM 695 O LEU A 49 -0.368 22.889 -0.800 1.00 0.00 O ATOM 696 CB LEU A 49 -0.303 19.597 0.118 1.00 0.00 C ATOM 697 CG LEU A 49 0.601 19.866 1.323 1.00 0.00 C ATOM 698 CD1 LEU A 49 1.777 18.889 1.356 1.00 0.00 C ATOM 699 CD2 LEU A 49 1.066 21.324 1.344 1.00 0.00 C ATOM 0 H LEU A 49 -2.487 19.167 -0.948 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.500 21.240 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.891 18.702 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.328 19.374 -0.742 1.00 0.00 H new ATOM 0 HG LEU A 49 0.020 19.700 2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.403 19.103 2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.400 17.868 1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.367 18.999 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.707 21.489 2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.624 21.541 0.433 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.199 21.982 1.404 1.00 0.00 H new ATOM 711 N LYS A 50 -0.445 21.344 -2.450 1.00 0.00 N ATOM 712 CA LYS A 50 0.135 22.223 -3.451 1.00 0.00 C ATOM 713 C LYS A 50 -0.535 23.596 -3.368 1.00 0.00 C ATOM 714 O LYS A 50 0.114 24.621 -3.572 1.00 0.00 O ATOM 715 CB LYS A 50 0.054 21.582 -4.838 1.00 0.00 C ATOM 716 CG LYS A 50 1.040 20.419 -4.963 1.00 0.00 C ATOM 717 CD LYS A 50 2.277 20.832 -5.764 1.00 0.00 C ATOM 718 CE LYS A 50 2.084 20.548 -7.255 1.00 0.00 C ATOM 719 NZ LYS A 50 2.440 21.738 -8.059 1.00 0.00 N ATOM 0 H LYS A 50 -0.675 20.409 -2.785 1.00 0.00 H new ATOM 0 HA LYS A 50 1.197 22.374 -3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.960 21.225 -5.019 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.269 22.330 -5.601 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.340 20.084 -3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.552 19.575 -5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.474 21.894 -5.615 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.150 20.292 -5.397 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.703 19.702 -7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.048 20.269 -7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.303 21.528 -9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.832 22.536 -7.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 3.435 21.987 -7.889 1.00 0.00 H new ATOM 733 N GLY A 51 -1.826 23.572 -3.069 1.00 0.00 N ATOM 734 CA GLY A 51 -2.591 24.802 -2.957 1.00 0.00 C ATOM 735 C GLY A 51 -2.934 25.103 -1.497 1.00 0.00 C ATOM 736 O GLY A 51 -4.062 25.481 -1.186 1.00 0.00 O ATOM 0 H GLY A 51 -2.361 22.720 -2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.020 25.629 -3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.508 24.718 -3.540 1.00 0.00 H new ATOM 740 N THR A 52 -1.940 24.924 -0.640 1.00 0.00 N ATOM 741 CA THR A 52 -2.122 25.172 0.780 1.00 0.00 C ATOM 742 C THR A 52 -0.983 26.037 1.321 1.00 0.00 C ATOM 743 O THR A 52 0.176 25.624 1.309 1.00 0.00 O ATOM 744 CB THR A 52 -2.244 23.819 1.484 1.00 0.00 C ATOM 745 OG1 THR A 52 -3.454 23.268 0.970 1.00 0.00 O ATOM 746 CG2 THR A 52 -2.508 23.961 2.985 1.00 0.00 C ATOM 0 H THR A 52 -1.005 24.610 -0.902 1.00 0.00 H new ATOM 0 HA THR A 52 -3.035 25.737 0.969 1.00 0.00 H new ATOM 0 HB THR A 52 -1.330 23.246 1.329 1.00 0.00 H new ATOM 0 HG1 THR A 52 -3.297 22.919 0.068 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.586 22.972 3.436 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.687 24.507 3.449 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.440 24.505 3.141 1.00 0.00 H new ATOM 754 N LYS A 53 -1.351 27.223 1.784 1.00 0.00 N ATOM 755 CA LYS A 53 -0.375 28.151 2.328 1.00 0.00 C ATOM 756 C LYS A 53 -0.231 27.909 3.832 1.00 0.00 C ATOM 757 O LYS A 53 0.848 28.091 4.394 1.00 0.00 O ATOM 758 CB LYS A 53 -0.745 29.591 1.969 1.00 0.00 C ATOM 759 CG LYS A 53 0.083 30.092 0.785 1.00 0.00 C ATOM 760 CD LYS A 53 1.036 31.209 1.215 1.00 0.00 C ATOM 761 CE LYS A 53 2.460 30.934 0.727 1.00 0.00 C ATOM 762 NZ LYS A 53 3.443 31.667 1.555 1.00 0.00 N ATOM 0 H LYS A 53 -2.313 27.562 1.793 1.00 0.00 H new ATOM 0 HA LYS A 53 0.604 27.978 1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.806 29.647 1.725 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.581 30.238 2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.653 29.266 0.360 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.581 30.457 0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.689 32.162 0.816 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.031 31.298 2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.665 29.864 0.770 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.558 31.235 -0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.404 31.469 1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.256 32.688 1.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.361 31.360 2.545 1.00 0.00 H new ATOM 776 N GLU A 54 -1.335 27.503 4.442 1.00 0.00 N ATOM 777 CA GLU A 54 -1.346 27.234 5.870 1.00 0.00 C ATOM 778 C GLU A 54 -0.107 26.431 6.269 1.00 0.00 C ATOM 779 O GLU A 54 -0.090 25.207 6.148 1.00 0.00 O ATOM 780 CB GLU A 54 -2.627 26.506 6.281 1.00 0.00 C ATOM 781 CG GLU A 54 -3.704 27.499 6.724 1.00 0.00 C ATOM 782 CD GLU A 54 -4.017 28.501 5.611 1.00 0.00 C ATOM 783 OE1 GLU A 54 -4.117 28.048 4.451 1.00 0.00 O ATOM 784 OE2 GLU A 54 -4.149 29.698 5.947 1.00 0.00 O ATOM 0 H GLU A 54 -2.228 27.354 3.973 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.323 28.187 6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.996 25.912 5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.411 25.812 7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.611 26.959 6.998 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.369 28.032 7.614 1.00 0.00 H new ATOM 791 N SER A 55 0.902 27.152 6.736 1.00 0.00 N ATOM 792 CA SER A 55 2.143 26.522 7.153 1.00 0.00 C ATOM 793 C SER A 55 1.842 25.280 7.995 1.00 0.00 C ATOM 794 O SER A 55 2.435 24.224 7.782 1.00 0.00 O ATOM 795 CB SER A 55 3.019 27.498 7.941 1.00 0.00 C ATOM 796 OG SER A 55 2.302 28.119 9.004 1.00 0.00 O ATOM 0 H SER A 55 0.885 28.167 6.835 1.00 0.00 H new ATOM 0 HA SER A 55 2.692 26.224 6.260 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.880 26.966 8.346 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.405 28.264 7.268 1.00 0.00 H new ATOM 0 HG SER A 55 2.896 28.733 9.484 1.00 0.00 H new ATOM 802 N SER A 56 0.921 25.449 8.932 1.00 0.00 N ATOM 803 CA SER A 56 0.534 24.355 9.807 1.00 0.00 C ATOM 804 C SER A 56 -0.061 23.212 8.983 1.00 0.00 C ATOM 805 O SER A 56 0.387 22.071 9.082 1.00 0.00 O ATOM 806 CB SER A 56 -0.466 24.824 10.865 1.00 0.00 C ATOM 807 OG SER A 56 0.139 25.683 11.828 1.00 0.00 O ATOM 0 H SER A 56 0.431 26.327 9.105 1.00 0.00 H new ATOM 0 HA SER A 56 1.425 23.997 10.322 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.289 25.347 10.379 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.893 23.957 11.370 1.00 0.00 H new ATOM 0 HG SER A 56 -0.532 25.962 12.485 1.00 0.00 H new ATOM 813 N LYS A 57 -1.063 23.558 8.187 1.00 0.00 N ATOM 814 CA LYS A 57 -1.725 22.575 7.347 1.00 0.00 C ATOM 815 C LYS A 57 -0.670 21.765 6.589 1.00 0.00 C ATOM 816 O LYS A 57 -0.513 20.569 6.827 1.00 0.00 O ATOM 817 CB LYS A 57 -2.751 23.252 6.436 1.00 0.00 C ATOM 818 CG LYS A 57 -4.014 23.624 7.215 1.00 0.00 C ATOM 819 CD LYS A 57 -5.200 23.832 6.270 1.00 0.00 C ATOM 820 CE LYS A 57 -6.382 22.947 6.671 1.00 0.00 C ATOM 821 NZ LYS A 57 -7.629 23.430 6.036 1.00 0.00 N ATOM 0 H LYS A 57 -1.432 24.506 8.107 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.291 21.871 7.958 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.315 24.148 5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.010 22.584 5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -4.249 22.837 7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.837 24.534 7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.503 24.879 6.286 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.900 23.603 5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -6.190 21.916 6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -6.494 22.949 7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.422 22.819 6.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.819 24.406 6.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.524 23.405 5.002 1.00 0.00 H new ATOM 835 N ARG A 58 0.024 22.450 5.693 1.00 0.00 N ATOM 836 CA ARG A 58 1.059 21.810 4.899 1.00 0.00 C ATOM 837 C ARG A 58 1.796 20.761 5.735 1.00 0.00 C ATOM 838 O ARG A 58 2.064 19.659 5.259 1.00 0.00 O ATOM 839 CB ARG A 58 2.067 22.836 4.377 1.00 0.00 C ATOM 840 CG ARG A 58 1.406 23.800 3.391 1.00 0.00 C ATOM 841 CD ARG A 58 1.826 25.245 3.672 1.00 0.00 C ATOM 842 NE ARG A 58 2.438 25.838 2.462 1.00 0.00 N ATOM 843 CZ ARG A 58 3.649 25.507 1.993 1.00 0.00 C ATOM 844 NH1 ARG A 58 4.385 24.586 2.630 1.00 0.00 N ATOM 845 NH2 ARG A 58 4.124 26.098 0.888 1.00 0.00 N ATOM 0 H ARG A 58 -0.110 23.442 5.499 1.00 0.00 H new ATOM 0 HA ARG A 58 0.575 21.329 4.049 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.487 23.396 5.212 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.895 22.322 3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.681 23.529 2.372 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.322 23.712 3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.959 25.832 3.976 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.535 25.272 4.499 1.00 0.00 H new ATOM 0 HE ARG A 58 1.905 26.543 1.953 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.023 24.137 3.472 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.307 24.334 2.273 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.564 26.800 0.404 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.046 25.846 0.531 1.00 0.00 H new ATOM 859 N CYS A 59 2.103 21.141 6.967 1.00 0.00 N ATOM 860 CA CYS A 59 2.804 20.247 7.873 1.00 0.00 C ATOM 861 C CYS A 59 1.940 19.002 8.083 1.00 0.00 C ATOM 862 O CYS A 59 2.386 17.884 7.830 1.00 0.00 O ATOM 863 CB CYS A 59 3.143 20.936 9.197 1.00 0.00 C ATOM 864 SG CYS A 59 4.910 20.682 9.599 1.00 0.00 S ATOM 0 H CYS A 59 1.879 22.056 7.359 1.00 0.00 H new ATOM 0 HA CYS A 59 3.759 19.956 7.435 1.00 0.00 H new ATOM 0 HB2 CYS A 59 2.927 22.002 9.128 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.518 20.535 9.995 1.00 0.00 H new ATOM 0 HG CYS A 59 5.188 21.272 10.723 1.00 0.00 H new ATOM 870 N VAL A 60 0.720 19.237 8.542 1.00 0.00 N ATOM 871 CA VAL A 60 -0.209 18.148 8.789 1.00 0.00 C ATOM 872 C VAL A 60 -0.434 17.372 7.490 1.00 0.00 C ATOM 873 O VAL A 60 -0.439 16.142 7.491 1.00 0.00 O ATOM 874 CB VAL A 60 -1.506 18.693 9.391 1.00 0.00 C ATOM 875 CG1 VAL A 60 -2.497 17.563 9.674 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.223 19.504 10.658 1.00 0.00 C ATOM 0 H VAL A 60 0.353 20.166 8.749 1.00 0.00 H new ATOM 0 HA VAL A 60 0.205 17.451 9.518 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.960 19.361 8.659 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.410 17.978 10.101 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.734 17.046 8.744 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.054 16.859 10.378 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.161 19.880 11.066 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.735 18.867 11.396 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.571 20.343 10.415 1.00 0.00 H new ATOM 886 N LEU A 61 -0.615 18.122 6.413 1.00 0.00 N ATOM 887 CA LEU A 61 -0.840 17.520 5.110 1.00 0.00 C ATOM 888 C LEU A 61 0.320 16.577 4.782 1.00 0.00 C ATOM 889 O LEU A 61 0.126 15.368 4.659 1.00 0.00 O ATOM 890 CB LEU A 61 -1.072 18.601 4.052 1.00 0.00 C ATOM 891 CG LEU A 61 -2.458 19.248 4.048 1.00 0.00 C ATOM 892 CD1 LEU A 61 -2.452 20.550 3.244 1.00 0.00 C ATOM 893 CD2 LEU A 61 -3.519 18.268 3.545 1.00 0.00 C ATOM 0 H LEU A 61 -0.610 19.142 6.416 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.748 16.918 5.121 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.327 19.385 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.894 18.164 3.069 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.719 19.505 5.075 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.449 20.990 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.742 21.248 3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.161 20.341 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.495 18.753 3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.275 17.958 2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.544 17.393 4.195 1.00 0.00 H new ATOM 905 N ARG A 62 1.500 17.165 4.649 1.00 0.00 N ATOM 906 CA ARG A 62 2.690 16.393 4.338 1.00 0.00 C ATOM 907 C ARG A 62 2.773 15.159 5.239 1.00 0.00 C ATOM 908 O ARG A 62 3.289 14.121 4.829 1.00 0.00 O ATOM 909 CB ARG A 62 3.955 17.234 4.519 1.00 0.00 C ATOM 910 CG ARG A 62 4.155 18.185 3.337 1.00 0.00 C ATOM 911 CD ARG A 62 5.548 18.817 3.372 1.00 0.00 C ATOM 912 NE ARG A 62 6.409 18.202 2.337 1.00 0.00 N ATOM 913 CZ ARG A 62 6.392 18.548 1.043 1.00 0.00 C ATOM 914 NH1 ARG A 62 5.559 19.506 0.616 1.00 0.00 N ATOM 915 NH2 ARG A 62 7.209 17.935 0.175 1.00 0.00 N ATOM 0 H ARG A 62 1.657 18.168 4.751 1.00 0.00 H new ATOM 0 HA ARG A 62 2.620 16.082 3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.886 17.807 5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.821 16.579 4.614 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.022 17.641 2.402 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.396 18.967 3.362 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.473 19.891 3.203 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.994 18.679 4.357 1.00 0.00 H new ATOM 0 HE ARG A 62 7.056 17.469 2.627 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.937 19.973 1.276 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.547 19.769 -0.369 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.843 17.205 0.500 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.196 18.198 -0.810 1.00 0.00 H new ATOM 929 N THR A 63 2.257 15.314 6.449 1.00 0.00 N ATOM 930 CA THR A 63 2.267 14.225 7.412 1.00 0.00 C ATOM 931 C THR A 63 1.174 13.208 7.076 1.00 0.00 C ATOM 932 O THR A 63 1.337 12.014 7.322 1.00 0.00 O ATOM 933 CB THR A 63 2.126 14.829 8.810 1.00 0.00 C ATOM 934 OG1 THR A 63 3.471 15.009 9.247 1.00 0.00 O ATOM 935 CG2 THR A 63 1.537 13.841 9.818 1.00 0.00 C ATOM 0 H THR A 63 1.829 16.177 6.785 1.00 0.00 H new ATOM 0 HA THR A 63 3.205 13.672 7.375 1.00 0.00 H new ATOM 0 HB THR A 63 1.495 15.716 8.760 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.473 15.399 10.146 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.458 14.320 10.794 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.547 13.529 9.486 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.186 12.968 9.894 1.00 0.00 H new ATOM 943 N LYS A 64 0.085 13.719 6.521 1.00 0.00 N ATOM 944 CA LYS A 64 -1.034 12.870 6.150 1.00 0.00 C ATOM 945 C LYS A 64 -0.707 12.144 4.843 1.00 0.00 C ATOM 946 O LYS A 64 -0.702 10.915 4.796 1.00 0.00 O ATOM 947 CB LYS A 64 -2.329 13.684 6.094 1.00 0.00 C ATOM 948 CG LYS A 64 -3.242 13.343 7.273 1.00 0.00 C ATOM 949 CD LYS A 64 -4.658 13.874 7.041 1.00 0.00 C ATOM 950 CE LYS A 64 -4.799 15.306 7.563 1.00 0.00 C ATOM 951 NZ LYS A 64 -6.225 15.692 7.640 1.00 0.00 N ATOM 0 H LYS A 64 -0.046 14.710 6.319 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.198 12.104 6.908 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.095 14.748 6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.849 13.483 5.157 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.273 12.262 7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.835 13.771 8.189 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.891 13.847 5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.379 13.228 7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.341 15.387 8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -4.265 15.993 6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.302 16.666 7.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.652 15.634 6.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.725 15.047 8.285 1.00 0.00 H new ATOM 965 N ILE A 65 -0.442 12.936 3.814 1.00 0.00 N ATOM 966 CA ILE A 65 -0.115 12.384 2.511 1.00 0.00 C ATOM 967 C ILE A 65 0.899 11.251 2.681 1.00 0.00 C ATOM 968 O ILE A 65 0.599 10.095 2.388 1.00 0.00 O ATOM 969 CB ILE A 65 0.352 13.490 1.563 1.00 0.00 C ATOM 970 CG1 ILE A 65 -0.839 14.257 0.985 1.00 0.00 C ATOM 971 CG2 ILE A 65 1.258 12.927 0.466 1.00 0.00 C ATOM 972 CD1 ILE A 65 -0.522 15.748 0.855 1.00 0.00 C ATOM 0 H ILE A 65 -0.447 13.955 3.857 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.002 11.951 2.047 1.00 0.00 H new ATOM 0 HB ILE A 65 0.946 14.202 2.137 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.098 13.850 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.709 14.122 1.627 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.575 13.735 -0.194 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.134 12.464 0.920 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.711 12.181 -0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.386 16.269 0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.287 16.157 1.838 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.333 15.882 0.193 1.00 0.00 H new ATOM 984 N SER A 66 2.080 11.623 3.154 1.00 0.00 N ATOM 985 CA SER A 66 3.140 10.653 3.367 1.00 0.00 C ATOM 986 C SER A 66 2.622 9.489 4.214 1.00 0.00 C ATOM 987 O SER A 66 2.830 8.326 3.871 1.00 0.00 O ATOM 988 CB SER A 66 4.352 11.300 4.039 1.00 0.00 C ATOM 989 OG SER A 66 5.312 10.332 4.454 1.00 0.00 O ATOM 0 H SER A 66 2.326 12.583 3.396 1.00 0.00 H new ATOM 0 HA SER A 66 3.457 10.274 2.395 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.819 12.001 3.347 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.022 11.877 4.903 1.00 0.00 H new ATOM 0 HG SER A 66 6.071 10.785 4.877 1.00 0.00 H new ATOM 995 N GLY A 67 1.956 9.842 5.304 1.00 0.00 N ATOM 996 CA GLY A 67 1.407 8.841 6.203 1.00 0.00 C ATOM 997 C GLY A 67 0.479 7.882 5.454 1.00 0.00 C ATOM 998 O GLY A 67 0.310 6.733 5.859 1.00 0.00 O ATOM 0 H GLY A 67 1.784 10.807 5.585 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.218 8.280 6.667 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.858 9.331 7.007 1.00 0.00 H new ATOM 1002 N TYR A 68 -0.098 8.390 4.374 1.00 0.00 N ATOM 1003 CA TYR A 68 -1.004 7.593 3.565 1.00 0.00 C ATOM 1004 C TYR A 68 -0.279 6.994 2.358 1.00 0.00 C ATOM 1005 O TYR A 68 -0.836 6.161 1.645 1.00 0.00 O ATOM 1006 CB TYR A 68 -2.085 8.555 3.069 1.00 0.00 C ATOM 1007 CG TYR A 68 -2.996 9.091 4.176 1.00 0.00 C ATOM 1008 CD1 TYR A 68 -3.642 8.214 5.022 1.00 0.00 C ATOM 1009 CD2 TYR A 68 -3.171 10.452 4.327 1.00 0.00 C ATOM 1010 CE1 TYR A 68 -4.500 8.718 6.063 1.00 0.00 C ATOM 1011 CE2 TYR A 68 -4.028 10.956 5.369 1.00 0.00 C ATOM 1012 CZ TYR A 68 -4.650 10.064 6.185 1.00 0.00 C ATOM 1013 OH TYR A 68 -5.460 10.540 7.169 1.00 0.00 O ATOM 0 H TYR A 68 0.045 9.343 4.041 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.414 6.769 4.148 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.606 9.396 2.567 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.696 8.046 2.324 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.504 7.149 4.904 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.665 11.139 3.664 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.013 8.042 6.732 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.173 12.018 5.499 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.454 9.919 7.927 1.00 0.00 H new ATOM 1023 N MET A 69 0.953 7.442 2.166 1.00 0.00 N ATOM 1024 CA MET A 69 1.760 6.961 1.058 1.00 0.00 C ATOM 1025 C MET A 69 2.491 5.670 1.431 1.00 0.00 C ATOM 1026 O MET A 69 2.488 4.707 0.666 1.00 0.00 O ATOM 1027 CB MET A 69 2.782 8.032 0.668 1.00 0.00 C ATOM 1028 CG MET A 69 2.122 9.152 -0.138 1.00 0.00 C ATOM 1029 SD MET A 69 3.279 9.813 -1.325 1.00 0.00 S ATOM 1030 CE MET A 69 3.024 8.673 -2.674 1.00 0.00 C ATOM 0 H MET A 69 1.412 8.133 2.759 1.00 0.00 H new ATOM 0 HA MET A 69 1.100 6.752 0.216 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.240 8.447 1.566 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.582 7.580 0.082 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.240 8.770 -0.652 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.784 9.943 0.532 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.674 8.943 -3.506 1.00 0.00 H new ATOM 0 HE2 MET A 69 3.258 7.661 -2.344 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.984 8.718 -2.997 1.00 0.00 H new ATOM 1040 N ASP A 70 3.099 5.691 2.608 1.00 0.00 N ATOM 1041 CA ASP A 70 3.832 4.534 3.092 1.00 0.00 C ATOM 1042 C ASP A 70 2.901 3.320 3.118 1.00 0.00 C ATOM 1043 O ASP A 70 3.250 2.255 2.611 1.00 0.00 O ATOM 1044 CB ASP A 70 4.349 4.764 4.514 1.00 0.00 C ATOM 1045 CG ASP A 70 5.356 3.726 5.012 1.00 0.00 C ATOM 1046 OD1 ASP A 70 6.527 3.820 4.583 1.00 0.00 O ATOM 1047 OD2 ASP A 70 4.934 2.862 5.810 1.00 0.00 O ATOM 0 H ASP A 70 3.099 6.491 3.241 1.00 0.00 H new ATOM 0 HA ASP A 70 4.677 4.367 2.424 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.813 5.749 4.561 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.499 4.779 5.196 1.00 0.00 H new ATOM 1052 N ARG A 71 1.735 3.521 3.714 1.00 0.00 N ATOM 1053 CA ARG A 71 0.751 2.457 3.813 1.00 0.00 C ATOM 1054 C ARG A 71 0.411 1.918 2.422 1.00 0.00 C ATOM 1055 O ARG A 71 0.457 0.710 2.192 1.00 0.00 O ATOM 1056 CB ARG A 71 -0.529 2.951 4.488 1.00 0.00 C ATOM 1057 CG ARG A 71 -1.394 1.777 4.950 1.00 0.00 C ATOM 1058 CD ARG A 71 -0.617 0.863 5.900 1.00 0.00 C ATOM 1059 NE ARG A 71 -1.549 -0.043 6.607 1.00 0.00 N ATOM 1060 CZ ARG A 71 -1.192 -0.851 7.614 1.00 0.00 C ATOM 1061 NH1 ARG A 71 0.079 -0.872 8.038 1.00 0.00 N ATOM 1062 NH2 ARG A 71 -2.106 -1.639 8.197 1.00 0.00 N ATOM 0 H ARG A 71 1.450 4.406 4.134 1.00 0.00 H new ATOM 0 HA ARG A 71 1.183 1.661 4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.275 3.578 5.342 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.094 3.572 3.793 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.286 2.153 5.450 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.731 1.206 4.085 1.00 0.00 H new ATOM 0 HD2 ARG A 71 0.115 0.280 5.340 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.062 1.462 6.622 1.00 0.00 H new ATOM 0 HE ARG A 71 -2.524 -0.053 6.309 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.775 -0.273 7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.351 -1.487 8.805 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.073 -1.623 7.874 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.834 -2.254 8.964 1.00 0.00 H new ATOM 1076 N ALA A 72 0.078 2.839 1.531 1.00 0.00 N ATOM 1077 CA ALA A 72 -0.270 2.472 0.169 1.00 0.00 C ATOM 1078 C ALA A 72 0.845 1.608 -0.422 1.00 0.00 C ATOM 1079 O ALA A 72 0.583 0.536 -0.967 1.00 0.00 O ATOM 1080 CB ALA A 72 -0.525 3.737 -0.652 1.00 0.00 C ATOM 0 H ALA A 72 0.042 3.840 1.725 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.187 1.883 0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.786 3.461 -1.674 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.345 4.300 -0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.375 4.352 -0.661 1.00 0.00 H new ATOM 1086 N GLU A 73 2.066 2.106 -0.295 1.00 0.00 N ATOM 1087 CA GLU A 73 3.223 1.393 -0.810 1.00 0.00 C ATOM 1088 C GLU A 73 3.264 -0.029 -0.247 1.00 0.00 C ATOM 1089 O GLU A 73 3.100 -0.999 -0.986 1.00 0.00 O ATOM 1090 CB GLU A 73 4.517 2.146 -0.494 1.00 0.00 C ATOM 1091 CG GLU A 73 4.946 3.018 -1.675 1.00 0.00 C ATOM 1092 CD GLU A 73 6.364 3.557 -1.473 1.00 0.00 C ATOM 1093 OE1 GLU A 73 7.165 2.827 -0.850 1.00 0.00 O ATOM 1094 OE2 GLU A 73 6.614 4.687 -1.944 1.00 0.00 O ATOM 0 H GLU A 73 2.280 2.995 0.157 1.00 0.00 H new ATOM 0 HA GLU A 73 3.134 1.331 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.373 2.769 0.389 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.308 1.434 -0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.902 2.436 -2.596 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.250 3.849 -1.789 1.00 0.00 H new ATOM 1101 N ASN A 74 3.484 -0.108 1.058 1.00 0.00 N ATOM 1102 CA ASN A 74 3.549 -1.395 1.729 1.00 0.00 C ATOM 1103 C ASN A 74 2.493 -2.330 1.134 1.00 0.00 C ATOM 1104 O ASN A 74 2.736 -3.525 0.976 1.00 0.00 O ATOM 1105 CB ASN A 74 3.263 -1.251 3.225 1.00 0.00 C ATOM 1106 CG ASN A 74 4.536 -1.455 4.048 1.00 0.00 C ATOM 1107 OD1 ASN A 74 5.399 -2.251 3.718 1.00 0.00 O ATOM 1108 ND2 ASN A 74 4.604 -0.693 5.137 1.00 0.00 N ATOM 0 H ASN A 74 3.619 0.698 1.668 1.00 0.00 H new ATOM 0 HA ASN A 74 4.553 -1.797 1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.850 -0.263 3.426 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.510 -1.979 3.527 1.00 0.00 H new ATOM 0 HD21 ASN A 74 5.414 -0.755 5.753 1.00 0.00 H new ATOM 0 HD22 ASN A 74 3.846 -0.047 5.355 1.00 0.00 H new ATOM 1115 N ILE A 75 1.344 -1.749 0.820 1.00 0.00 N ATOM 1116 CA ILE A 75 0.251 -2.515 0.246 1.00 0.00 C ATOM 1117 C ILE A 75 0.603 -2.898 -1.193 1.00 0.00 C ATOM 1118 O ILE A 75 0.714 -4.080 -1.515 1.00 0.00 O ATOM 1119 CB ILE A 75 -1.066 -1.746 0.373 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -1.596 -1.800 1.807 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -2.096 -2.253 -0.638 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -2.735 -0.799 2.009 1.00 0.00 C ATOM 0 H ILE A 75 1.147 -0.757 0.952 1.00 0.00 H new ATOM 0 HA ILE A 75 0.106 -3.444 0.797 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.874 -0.699 0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.948 -2.807 2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.788 -1.583 2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.023 -1.690 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.710 -2.120 -1.649 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.290 -3.311 -0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.093 -0.858 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.373 0.209 1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.551 -1.034 1.326 1.00 0.00 H new ATOM 1134 N LYS A 76 0.769 -1.876 -2.020 1.00 0.00 N ATOM 1135 CA LYS A 76 1.106 -2.091 -3.417 1.00 0.00 C ATOM 1136 C LYS A 76 2.240 -3.114 -3.512 1.00 0.00 C ATOM 1137 O LYS A 76 2.151 -4.076 -4.273 1.00 0.00 O ATOM 1138 CB LYS A 76 1.420 -0.760 -4.104 1.00 0.00 C ATOM 1139 CG LYS A 76 0.198 -0.231 -4.858 1.00 0.00 C ATOM 1140 CD LYS A 76 0.529 0.017 -6.331 1.00 0.00 C ATOM 1141 CE LYS A 76 1.259 1.349 -6.512 1.00 0.00 C ATOM 1142 NZ LYS A 76 0.741 2.068 -7.698 1.00 0.00 N ATOM 0 H LYS A 76 0.676 -0.897 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 76 0.254 -2.507 -3.954 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.738 -0.029 -3.361 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.251 -0.891 -4.797 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.620 -0.947 -4.781 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.145 0.695 -4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.149 -0.796 -6.710 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.389 0.019 -6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.131 1.965 -5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.328 1.172 -6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.248 2.970 -7.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.886 1.486 -8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.275 2.254 -7.575 1.00 0.00 H new ATOM 1156 N LYS A 77 3.280 -2.871 -2.728 1.00 0.00 N ATOM 1157 CA LYS A 77 4.430 -3.759 -2.715 1.00 0.00 C ATOM 1158 C LYS A 77 3.969 -5.178 -2.375 1.00 0.00 C ATOM 1159 O LYS A 77 4.573 -6.154 -2.818 1.00 0.00 O ATOM 1160 CB LYS A 77 5.511 -3.222 -1.774 1.00 0.00 C ATOM 1161 CG LYS A 77 6.438 -2.248 -2.504 1.00 0.00 C ATOM 1162 CD LYS A 77 5.753 -0.898 -2.722 1.00 0.00 C ATOM 1163 CE LYS A 77 4.993 -0.876 -4.050 1.00 0.00 C ATOM 1164 NZ LYS A 77 5.704 -0.036 -5.040 1.00 0.00 N ATOM 0 H LYS A 77 3.350 -2.072 -2.097 1.00 0.00 H new ATOM 0 HA LYS A 77 4.891 -3.800 -3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.044 -2.720 -0.927 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.093 -4.051 -1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.351 -2.107 -1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.731 -2.670 -3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.064 -0.699 -1.901 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.498 -0.102 -2.712 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.889 -1.891 -4.433 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.986 -0.490 -3.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.175 -0.032 -5.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.781 0.936 -4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.656 -0.421 -5.202 1.00 0.00 H new ATOM 1178 N TYR A 78 2.904 -5.248 -1.591 1.00 0.00 N ATOM 1179 CA TYR A 78 2.355 -6.531 -1.186 1.00 0.00 C ATOM 1180 C TYR A 78 1.333 -7.037 -2.207 1.00 0.00 C ATOM 1181 O TYR A 78 1.078 -8.237 -2.293 1.00 0.00 O ATOM 1182 CB TYR A 78 1.647 -6.286 0.147 1.00 0.00 C ATOM 1183 CG TYR A 78 0.378 -7.119 0.341 1.00 0.00 C ATOM 1184 CD1 TYR A 78 0.469 -8.417 0.803 1.00 0.00 C ATOM 1185 CD2 TYR A 78 -0.856 -6.573 0.055 1.00 0.00 C ATOM 1186 CE1 TYR A 78 -0.725 -9.201 0.985 1.00 0.00 C ATOM 1187 CE2 TYR A 78 -2.050 -7.357 0.238 1.00 0.00 C ATOM 1188 CZ TYR A 78 -1.925 -8.633 0.694 1.00 0.00 C ATOM 1189 OH TYR A 78 -3.053 -9.373 0.866 1.00 0.00 O ATOM 0 H TYR A 78 2.406 -4.437 -1.225 1.00 0.00 H new ATOM 0 HA TYR A 78 3.145 -7.278 -1.108 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.340 -6.504 0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.390 -5.229 0.221 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.435 -8.844 1.028 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.927 -5.558 -0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.668 -10.218 1.345 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -3.022 -6.942 0.018 1.00 0.00 H new ATOM 0 HH TYR A 78 -3.138 -10.016 0.131 1.00 0.00 H new ATOM 1199 N LEU A 79 0.776 -6.096 -2.955 1.00 0.00 N ATOM 1200 CA LEU A 79 -0.212 -6.431 -3.966 1.00 0.00 C ATOM 1201 C LEU A 79 0.503 -6.846 -5.253 1.00 0.00 C ATOM 1202 O LEU A 79 0.160 -7.861 -5.858 1.00 0.00 O ATOM 1203 CB LEU A 79 -1.198 -5.276 -4.155 1.00 0.00 C ATOM 1204 CG LEU A 79 -2.000 -4.869 -2.918 1.00 0.00 C ATOM 1205 CD1 LEU A 79 -2.802 -3.592 -3.179 1.00 0.00 C ATOM 1206 CD2 LEU A 79 -2.890 -6.017 -2.439 1.00 0.00 C ATOM 0 H LEU A 79 0.990 -5.102 -2.881 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.812 -7.283 -3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.644 -4.406 -4.507 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.899 -5.548 -4.944 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.298 -4.649 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.363 -3.325 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.121 -2.781 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.494 -3.759 -4.004 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.449 -5.701 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.586 -6.293 -3.231 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.270 -6.877 -2.186 1.00 0.00 H new ATOM 1218 N ASP A 80 1.483 -6.041 -5.635 1.00 0.00 N ATOM 1219 CA ASP A 80 2.249 -6.312 -6.839 1.00 0.00 C ATOM 1220 C ASP A 80 2.797 -7.739 -6.779 1.00 0.00 C ATOM 1221 O ASP A 80 2.913 -8.407 -7.805 1.00 0.00 O ATOM 1222 CB ASP A 80 3.436 -5.355 -6.965 1.00 0.00 C ATOM 1223 CG ASP A 80 3.073 -3.925 -7.371 1.00 0.00 C ATOM 1224 OD1 ASP A 80 2.002 -3.767 -7.995 1.00 0.00 O ATOM 1225 OD2 ASP A 80 3.875 -3.022 -7.048 1.00 0.00 O ATOM 0 H ASP A 80 1.764 -5.200 -5.131 1.00 0.00 H new ATOM 0 HA ASP A 80 1.588 -6.180 -7.695 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.961 -5.323 -6.010 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.133 -5.759 -7.699 1.00 0.00 H new ATOM 1230 N GLN A 81 3.120 -8.164 -5.566 1.00 0.00 N ATOM 1231 CA GLN A 81 3.653 -9.500 -5.359 1.00 0.00 C ATOM 1232 C GLN A 81 2.526 -10.534 -5.403 1.00 0.00 C ATOM 1233 O GLN A 81 2.704 -11.628 -5.936 1.00 0.00 O ATOM 1234 CB GLN A 81 4.423 -9.584 -4.040 1.00 0.00 C ATOM 1235 CG GLN A 81 3.534 -9.187 -2.860 1.00 0.00 C ATOM 1236 CD GLN A 81 4.205 -9.530 -1.528 1.00 0.00 C ATOM 1237 OE1 GLN A 81 5.294 -9.076 -1.217 1.00 0.00 O ATOM 1238 NE2 GLN A 81 3.496 -10.354 -0.761 1.00 0.00 N ATOM 0 H GLN A 81 3.023 -7.607 -4.717 1.00 0.00 H new ATOM 0 HA GLN A 81 4.353 -9.720 -6.165 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.794 -10.599 -3.895 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.293 -8.929 -4.081 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.325 -8.118 -2.901 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.576 -9.702 -2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.591 -10.697 -1.082 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.858 -10.642 0.148 1.00 0.00 H new ATOM 1247 N GLU A 82 1.392 -10.151 -4.836 1.00 0.00 N ATOM 1248 CA GLU A 82 0.236 -11.031 -4.803 1.00 0.00 C ATOM 1249 C GLU A 82 -0.363 -11.172 -6.204 1.00 0.00 C ATOM 1250 O GLU A 82 -0.750 -12.266 -6.610 1.00 0.00 O ATOM 1251 CB GLU A 82 -0.810 -10.526 -3.808 1.00 0.00 C ATOM 1252 CG GLU A 82 -0.420 -10.886 -2.373 1.00 0.00 C ATOM 1253 CD GLU A 82 -1.566 -11.604 -1.657 1.00 0.00 C ATOM 1254 OE1 GLU A 82 -2.715 -11.141 -1.820 1.00 0.00 O ATOM 1255 OE2 GLU A 82 -1.266 -12.600 -0.963 1.00 0.00 O ATOM 0 H GLU A 82 1.249 -9.242 -4.395 1.00 0.00 H new ATOM 0 HA GLU A 82 0.563 -12.015 -4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.913 -9.445 -3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.782 -10.960 -4.044 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.464 -11.523 -2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.155 -9.981 -1.826 1.00 0.00 H new ATOM 1262 N LYS A 83 -0.420 -10.048 -6.904 1.00 0.00 N ATOM 1263 CA LYS A 83 -0.966 -10.033 -8.251 1.00 0.00 C ATOM 1264 C LYS A 83 -0.005 -10.759 -9.194 1.00 0.00 C ATOM 1265 O LYS A 83 -0.437 -11.471 -10.099 1.00 0.00 O ATOM 1266 CB LYS A 83 -1.286 -8.600 -8.683 1.00 0.00 C ATOM 1267 CG LYS A 83 -0.079 -7.683 -8.476 1.00 0.00 C ATOM 1268 CD LYS A 83 0.362 -7.050 -9.797 1.00 0.00 C ATOM 1269 CE LYS A 83 -0.353 -5.718 -10.033 1.00 0.00 C ATOM 1270 NZ LYS A 83 0.074 -5.121 -11.318 1.00 0.00 N ATOM 0 H LYS A 83 -0.097 -9.142 -6.564 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.913 -10.571 -8.284 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.579 -8.590 -9.733 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.135 -8.225 -8.111 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.331 -6.901 -7.760 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.746 -8.253 -8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.440 -6.891 -9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.149 -7.732 -10.620 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.432 -5.874 -10.038 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.134 -5.031 -9.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.421 -4.218 -11.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.100 -4.955 -11.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.157 -5.771 -12.096 1.00 0.00 H new ATOM 1284 N GLU A 84 1.281 -10.554 -8.950 1.00 0.00 N ATOM 1285 CA GLU A 84 2.307 -11.181 -9.766 1.00 0.00 C ATOM 1286 C GLU A 84 2.238 -12.703 -9.629 1.00 0.00 C ATOM 1287 O GLU A 84 1.802 -13.394 -10.549 1.00 0.00 O ATOM 1288 CB GLU A 84 3.697 -10.660 -9.396 1.00 0.00 C ATOM 1289 CG GLU A 84 4.063 -9.433 -10.235 1.00 0.00 C ATOM 1290 CD GLU A 84 5.496 -8.980 -9.946 1.00 0.00 C ATOM 1291 OE1 GLU A 84 6.397 -9.838 -10.061 1.00 0.00 O ATOM 1292 OE2 GLU A 84 5.657 -7.785 -9.616 1.00 0.00 O ATOM 0 H GLU A 84 1.636 -9.962 -8.199 1.00 0.00 H new ATOM 0 HA GLU A 84 2.123 -10.921 -10.808 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.723 -10.402 -8.337 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.437 -11.445 -9.551 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.958 -9.668 -11.294 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.370 -8.620 -10.019 1.00 0.00 H new ATOM 1299 N ASP A 85 2.675 -13.182 -8.474 1.00 0.00 N ATOM 1300 CA ASP A 85 2.669 -14.610 -8.204 1.00 0.00 C ATOM 1301 C ASP A 85 3.150 -15.361 -9.447 1.00 0.00 C ATOM 1302 O ASP A 85 2.753 -16.502 -9.679 1.00 0.00 O ATOM 1303 CB ASP A 85 1.259 -15.101 -7.871 1.00 0.00 C ATOM 1304 CG ASP A 85 1.197 -16.453 -7.158 1.00 0.00 C ATOM 1305 OD1 ASP A 85 1.733 -16.526 -6.031 1.00 0.00 O ATOM 1306 OD2 ASP A 85 0.614 -17.383 -7.756 1.00 0.00 O ATOM 0 H ASP A 85 3.036 -12.606 -7.713 1.00 0.00 H new ATOM 0 HA ASP A 85 3.326 -14.796 -7.354 1.00 0.00 H new ATOM 0 HB2 ASP A 85 0.769 -14.355 -7.246 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.686 -15.168 -8.796 1.00 0.00 H new ATOM 1311 N GLY A 86 3.997 -14.690 -10.214 1.00 0.00 N ATOM 1312 CA GLY A 86 4.535 -15.281 -11.428 1.00 0.00 C ATOM 1313 C GLY A 86 3.461 -16.072 -12.176 1.00 0.00 C ATOM 1314 O GLY A 86 3.707 -17.193 -12.620 1.00 0.00 O ATOM 0 H GLY A 86 4.324 -13.744 -10.019 1.00 0.00 H new ATOM 0 HA2 GLY A 86 4.930 -14.497 -12.074 1.00 0.00 H new ATOM 0 HA3 GLY A 86 5.368 -15.938 -11.178 1.00 0.00 H new ATOM 1318 N LYS A 87 2.293 -15.458 -12.293 1.00 0.00 N ATOM 1319 CA LYS A 87 1.180 -16.092 -12.980 1.00 0.00 C ATOM 1320 C LYS A 87 0.526 -15.080 -13.923 1.00 0.00 C ATOM 1321 O LYS A 87 1.129 -14.064 -14.264 1.00 0.00 O ATOM 1322 CB LYS A 87 0.210 -16.710 -11.972 1.00 0.00 C ATOM 1323 CG LYS A 87 -0.601 -15.627 -11.257 1.00 0.00 C ATOM 1324 CD LYS A 87 -1.463 -16.231 -10.146 1.00 0.00 C ATOM 1325 CE LYS A 87 -2.199 -15.138 -9.368 1.00 0.00 C ATOM 1326 NZ LYS A 87 -3.539 -15.610 -8.954 1.00 0.00 N ATOM 0 H LYS A 87 2.093 -14.528 -11.924 1.00 0.00 H new ATOM 0 HA LYS A 87 1.533 -16.920 -13.595 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.465 -17.396 -12.484 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.765 -17.296 -11.240 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.073 -14.882 -10.835 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.237 -15.110 -11.975 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -2.185 -16.924 -10.577 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.835 -16.807 -9.466 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.619 -14.855 -8.489 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.296 -14.246 -9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.025 -14.856 -8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -4.096 -15.858 -9.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.439 -16.448 -8.346 1.00 0.00 H new ATOM 1340 N SER A 88 -0.700 -15.393 -14.317 1.00 0.00 N ATOM 1341 CA SER A 88 -1.442 -14.524 -15.214 1.00 0.00 C ATOM 1342 C SER A 88 -0.763 -14.482 -16.584 1.00 0.00 C ATOM 1343 O SER A 88 -1.262 -15.065 -17.546 1.00 0.00 O ATOM 1344 CB SER A 88 -1.562 -13.111 -14.638 1.00 0.00 C ATOM 1345 OG SER A 88 -2.388 -12.275 -15.443 1.00 0.00 O ATOM 0 H SER A 88 -1.198 -16.236 -14.031 1.00 0.00 H new ATOM 0 HA SER A 88 -2.448 -14.929 -15.327 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.973 -13.164 -13.630 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.570 -12.668 -14.555 1.00 0.00 H new ATOM 0 HG SER A 88 -2.441 -11.383 -15.041 1.00 0.00 H new ATOM 1351 N GLY A 89 0.364 -13.788 -16.630 1.00 0.00 N ATOM 1352 CA GLY A 89 1.117 -13.664 -17.866 1.00 0.00 C ATOM 1353 C GLY A 89 1.738 -15.003 -18.268 1.00 0.00 C ATOM 1354 O GLY A 89 1.263 -16.060 -17.856 1.00 0.00 O ATOM 0 H GLY A 89 0.774 -13.305 -15.831 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.461 -13.310 -18.661 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.902 -12.917 -17.744 1.00 0.00 H new ATOM 1358 N PRO A 90 2.819 -14.912 -19.088 1.00 0.00 N ATOM 1359 CA PRO A 90 3.511 -16.104 -19.549 1.00 0.00 C ATOM 1360 C PRO A 90 4.365 -16.709 -18.433 1.00 0.00 C ATOM 1361 O PRO A 90 5.121 -15.999 -17.771 1.00 0.00 O ATOM 1362 CB PRO A 90 4.332 -15.645 -20.743 1.00 0.00 C ATOM 1363 CG PRO A 90 4.434 -14.133 -20.623 1.00 0.00 C ATOM 1364 CD PRO A 90 3.410 -13.677 -19.596 1.00 0.00 C ATOM 0 HA PRO A 90 2.827 -16.903 -19.836 1.00 0.00 H new ATOM 0 HB2 PRO A 90 5.320 -16.105 -20.737 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.853 -15.931 -21.679 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.438 -13.841 -20.316 1.00 0.00 H new ATOM 0 HG3 PRO A 90 4.245 -13.660 -21.587 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.879 -13.104 -18.796 1.00 0.00 H new ATOM 0 HD3 PRO A 90 2.655 -13.034 -20.048 1.00 0.00 H new ATOM 1372 N SER A 91 4.217 -18.014 -18.260 1.00 0.00 N ATOM 1373 CA SER A 91 4.965 -18.722 -17.235 1.00 0.00 C ATOM 1374 C SER A 91 6.466 -18.606 -17.509 1.00 0.00 C ATOM 1375 O SER A 91 6.915 -18.834 -18.632 1.00 0.00 O ATOM 1376 CB SER A 91 4.551 -20.193 -17.168 1.00 0.00 C ATOM 1377 OG SER A 91 5.231 -20.985 -18.138 1.00 0.00 O ATOM 0 H SER A 91 3.590 -18.600 -18.812 1.00 0.00 H new ATOM 0 HA SER A 91 4.741 -18.265 -16.271 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.759 -20.583 -16.172 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.475 -20.274 -17.324 1.00 0.00 H new ATOM 0 HG SER A 91 4.940 -21.918 -18.061 1.00 0.00 H new ATOM 1383 N SER A 92 7.200 -18.251 -16.465 1.00 0.00 N ATOM 1384 CA SER A 92 8.641 -18.102 -16.579 1.00 0.00 C ATOM 1385 C SER A 92 9.298 -18.310 -15.213 1.00 0.00 C ATOM 1386 O SER A 92 9.325 -17.398 -14.388 1.00 0.00 O ATOM 1387 CB SER A 92 9.010 -16.728 -17.142 1.00 0.00 C ATOM 1388 OG SER A 92 8.644 -15.673 -16.257 1.00 0.00 O ATOM 0 H SER A 92 6.824 -18.062 -15.536 1.00 0.00 H new ATOM 0 HA SER A 92 9.009 -18.859 -17.271 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.083 -16.689 -17.329 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.514 -16.584 -18.102 1.00 0.00 H new ATOM 0 HG SER A 92 8.787 -15.959 -15.331 1.00 0.00 H new ATOM 1394 N GLY A 93 9.813 -19.515 -15.017 1.00 0.00 N ATOM 1395 CA GLY A 93 10.469 -19.854 -13.765 1.00 0.00 C ATOM 1396 C GLY A 93 10.061 -21.252 -13.294 1.00 0.00 C ATOM 1397 O GLY A 93 10.464 -22.252 -13.886 1.00 0.00 O ATOM 0 H GLY A 93 9.789 -20.269 -15.704 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.551 -19.811 -13.893 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.209 -19.119 -13.003 1.00 0.00 H new TER 1401 GLY A 93