USER MOD reduce.3.24.130724 H: found=0, std=0, add=522, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 520 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 41 HIS HD1 : A 41 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 33:sc= 0.304 USER MOD Single : A 3 SER OG : rot 48:sc= 0.851 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc=-0.00419 X(o=-0.0042,f=-0.012) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0.235 X(o=0.24,f=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.413 X(o=-0.41,f=-0.065) USER MOD Single : A 26 ASN : amide:sc= -0.294 X(o=-0.29,f=-0.017) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl 152:sc= -0.581 (180deg=-0.825) USER MOD Single : A 32 CYS SG : rot 39:sc= 0.126 USER MOD Single : A 48 SER OG : rot 180:sc= 0.242 USER MOD Single : A 58 ASN : amide:sc= -0.127 K(o=-0.13,f=-2!) USER MOD Single : A 62 TYR OH : rot 180:sc= -2.47! USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0.195 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.299 44.276 9.777 1.00 0.00 N ATOM 2 CA GLY A 1 -8.866 44.430 9.943 1.00 0.00 C ATOM 3 C GLY A 1 -8.075 43.483 9.062 1.00 0.00 C ATOM 4 O GLY A 1 -8.373 42.290 8.996 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.795 44.945 10.400 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.557 44.468 8.788 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.575 43.304 10.024 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.585 45.457 9.711 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.603 44.255 10.986 1.00 0.00 H new ATOM 8 N SER A 2 -7.064 44.014 8.382 1.00 0.00 N ATOM 9 CA SER A 2 -6.232 43.209 7.496 1.00 0.00 C ATOM 10 C SER A 2 -6.039 41.805 8.060 1.00 0.00 C ATOM 11 O SER A 2 -5.566 41.635 9.184 1.00 0.00 O ATOM 12 CB SER A 2 -4.872 43.880 7.291 1.00 0.00 C ATOM 13 OG SER A 2 -4.215 44.091 8.529 1.00 0.00 O ATOM 0 H SER A 2 -6.801 44.999 8.428 1.00 0.00 H new ATOM 0 HA SER A 2 -6.739 43.129 6.534 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.250 43.259 6.647 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.007 44.833 6.780 1.00 0.00 H new ATOM 0 HG SER A 2 -4.452 43.373 9.152 1.00 0.00 H new ATOM 19 N SER A 3 -6.408 40.801 7.270 1.00 0.00 N ATOM 20 CA SER A 3 -6.279 39.411 7.691 1.00 0.00 C ATOM 21 C SER A 3 -5.508 38.599 6.655 1.00 0.00 C ATOM 22 O SER A 3 -5.765 38.697 5.456 1.00 0.00 O ATOM 23 CB SER A 3 -7.661 38.794 7.913 1.00 0.00 C ATOM 24 OG SER A 3 -8.343 39.438 8.976 1.00 0.00 O ATOM 0 H SER A 3 -6.798 40.924 6.336 1.00 0.00 H new ATOM 0 HA SER A 3 -5.724 39.391 8.629 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.249 38.873 6.999 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.557 37.732 8.134 1.00 0.00 H new ATOM 0 HG SER A 3 -8.290 40.409 8.858 1.00 0.00 H new ATOM 30 N GLY A 4 -4.559 37.796 7.128 1.00 0.00 N ATOM 31 CA GLY A 4 -3.764 36.978 6.230 1.00 0.00 C ATOM 32 C GLY A 4 -2.544 36.389 6.910 1.00 0.00 C ATOM 33 O GLY A 4 -1.758 37.111 7.523 1.00 0.00 O ATOM 0 H GLY A 4 -4.327 37.697 8.116 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.382 36.171 5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.446 37.581 5.379 1.00 0.00 H new ATOM 37 N SER A 5 -2.387 35.074 6.804 1.00 0.00 N ATOM 38 CA SER A 5 -1.257 34.387 7.418 1.00 0.00 C ATOM 39 C SER A 5 -0.633 33.390 6.446 1.00 0.00 C ATOM 40 O SER A 5 -0.946 32.200 6.474 1.00 0.00 O ATOM 41 CB SER A 5 -1.702 33.665 8.691 1.00 0.00 C ATOM 42 OG SER A 5 -2.323 34.562 9.596 1.00 0.00 O ATOM 0 H SER A 5 -3.028 34.463 6.299 1.00 0.00 H new ATOM 0 HA SER A 5 -0.507 35.134 7.676 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.395 32.864 8.435 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.840 33.200 9.169 1.00 0.00 H new ATOM 0 HG SER A 5 -2.600 34.076 10.401 1.00 0.00 H new ATOM 48 N SER A 6 0.252 33.886 5.587 1.00 0.00 N ATOM 49 CA SER A 6 0.918 33.040 4.603 1.00 0.00 C ATOM 50 C SER A 6 2.359 32.758 5.016 1.00 0.00 C ATOM 51 O SER A 6 3.292 33.397 4.531 1.00 0.00 O ATOM 52 CB SER A 6 0.891 33.706 3.226 1.00 0.00 C ATOM 53 OG SER A 6 -0.290 33.367 2.519 1.00 0.00 O ATOM 0 H SER A 6 0.524 34.868 5.552 1.00 0.00 H new ATOM 0 HA SER A 6 0.381 32.093 4.551 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.952 34.788 3.341 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.764 33.397 2.652 1.00 0.00 H new ATOM 0 HG SER A 6 -0.284 33.806 1.643 1.00 0.00 H new ATOM 59 N GLY A 7 2.533 31.794 5.915 1.00 0.00 N ATOM 60 CA GLY A 7 3.862 31.443 6.379 1.00 0.00 C ATOM 61 C GLY A 7 4.222 30.003 6.073 1.00 0.00 C ATOM 62 O GLY A 7 3.677 29.405 5.146 1.00 0.00 O ATOM 0 H GLY A 7 1.777 31.250 6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.593 32.104 5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.923 31.609 7.455 1.00 0.00 H new ATOM 66 N GLU A 8 5.142 29.445 6.854 1.00 0.00 N ATOM 67 CA GLU A 8 5.574 28.066 6.659 1.00 0.00 C ATOM 68 C GLU A 8 4.375 27.139 6.488 1.00 0.00 C ATOM 69 O GLU A 8 3.295 27.398 7.020 1.00 0.00 O ATOM 70 CB GLU A 8 6.426 27.603 7.843 1.00 0.00 C ATOM 71 CG GLU A 8 7.393 26.483 7.497 1.00 0.00 C ATOM 72 CD GLU A 8 8.362 26.870 6.397 1.00 0.00 C ATOM 73 OE1 GLU A 8 8.607 28.082 6.221 1.00 0.00 O ATOM 74 OE2 GLU A 8 8.876 25.961 5.712 1.00 0.00 O ATOM 0 H GLU A 8 5.602 29.926 7.627 1.00 0.00 H new ATOM 0 HA GLU A 8 6.175 28.026 5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.990 28.453 8.228 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.768 27.268 8.645 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.954 26.204 8.389 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.829 25.604 7.187 1.00 0.00 H new ATOM 81 N CYS A 9 4.572 26.058 5.741 1.00 0.00 N ATOM 82 CA CYS A 9 3.507 25.092 5.497 1.00 0.00 C ATOM 83 C CYS A 9 3.939 23.690 5.913 1.00 0.00 C ATOM 84 O CYS A 9 5.051 23.258 5.610 1.00 0.00 O ATOM 85 CB CYS A 9 3.110 25.100 4.020 1.00 0.00 C ATOM 86 SG CYS A 9 1.413 24.560 3.709 1.00 0.00 S ATOM 0 H CYS A 9 5.460 25.829 5.294 1.00 0.00 H new ATOM 0 HA CYS A 9 2.645 25.380 6.098 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.237 26.108 3.626 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.792 24.454 3.468 1.00 0.00 H new ATOM 0 HG CYS A 9 1.171 24.603 2.432 1.00 0.00 H new ATOM 92 N GLU A 10 3.053 22.984 6.608 1.00 0.00 N ATOM 93 CA GLU A 10 3.345 21.631 7.067 1.00 0.00 C ATOM 94 C GLU A 10 2.063 20.817 7.211 1.00 0.00 C ATOM 95 O GLU A 10 0.961 21.334 7.025 1.00 0.00 O ATOM 96 CB GLU A 10 4.090 21.671 8.403 1.00 0.00 C ATOM 97 CG GLU A 10 3.285 22.297 9.530 1.00 0.00 C ATOM 98 CD GLU A 10 4.163 22.946 10.582 1.00 0.00 C ATOM 99 OE1 GLU A 10 5.143 23.621 10.203 1.00 0.00 O ATOM 100 OE2 GLU A 10 3.870 22.780 11.784 1.00 0.00 O ATOM 0 H GLU A 10 2.127 23.326 6.866 1.00 0.00 H new ATOM 0 HA GLU A 10 3.978 21.151 6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.366 20.655 8.686 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.017 22.230 8.276 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.607 23.044 9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.667 21.531 9.999 1.00 0.00 H new ATOM 107 N VAL A 11 2.215 19.539 7.544 1.00 0.00 N ATOM 108 CA VAL A 11 1.070 18.652 7.714 1.00 0.00 C ATOM 109 C VAL A 11 0.539 18.708 9.142 1.00 0.00 C ATOM 110 O VAL A 11 -0.661 18.555 9.376 1.00 0.00 O ATOM 111 CB VAL A 11 1.433 17.195 7.370 1.00 0.00 C ATOM 112 CG1 VAL A 11 0.239 16.280 7.597 1.00 0.00 C ATOM 113 CG2 VAL A 11 1.928 17.094 5.936 1.00 0.00 C ATOM 0 H VAL A 11 3.120 19.095 7.701 1.00 0.00 H new ATOM 0 HA VAL A 11 0.297 18.998 7.028 1.00 0.00 H new ATOM 0 HB VAL A 11 2.238 16.873 8.031 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.514 15.255 7.349 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -0.065 16.331 8.642 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.588 16.597 6.962 1.00 0.00 H new ATOM 0 HG21 VAL A 11 2.180 16.058 5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.146 17.434 5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.813 17.718 5.812 1.00 0.00 H new ATOM 123 N TYR A 12 1.438 18.930 10.094 1.00 0.00 N ATOM 124 CA TYR A 12 1.061 19.005 11.500 1.00 0.00 C ATOM 125 C TYR A 12 -0.215 19.822 11.679 1.00 0.00 C ATOM 126 O TYR A 12 -1.162 19.381 12.332 1.00 0.00 O ATOM 127 CB TYR A 12 2.194 19.621 12.322 1.00 0.00 C ATOM 128 CG TYR A 12 2.164 19.231 13.782 1.00 0.00 C ATOM 129 CD1 TYR A 12 1.053 19.502 14.572 1.00 0.00 C ATOM 130 CD2 TYR A 12 3.248 18.592 14.373 1.00 0.00 C ATOM 131 CE1 TYR A 12 1.022 19.148 15.907 1.00 0.00 C ATOM 132 CE2 TYR A 12 3.224 18.233 15.707 1.00 0.00 C ATOM 133 CZ TYR A 12 2.110 18.513 16.469 1.00 0.00 C ATOM 134 OH TYR A 12 2.083 18.158 17.799 1.00 0.00 O ATOM 0 H TYR A 12 2.434 19.061 9.917 1.00 0.00 H new ATOM 0 HA TYR A 12 0.874 17.991 11.854 1.00 0.00 H new ATOM 0 HB2 TYR A 12 3.149 19.318 11.893 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.140 20.707 12.243 1.00 0.00 H new ATOM 0 HD1 TYR A 12 0.199 19.998 14.135 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.123 18.373 13.780 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.151 19.367 16.507 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.074 17.735 16.150 1.00 0.00 H new ATOM 0 HH TYR A 12 2.926 17.719 18.038 1.00 0.00 H new ATOM 144 N ASP A 13 -0.233 21.014 11.093 1.00 0.00 N ATOM 145 CA ASP A 13 -1.392 21.894 11.185 1.00 0.00 C ATOM 146 C ASP A 13 -2.689 21.095 11.102 1.00 0.00 C ATOM 147 O ASP A 13 -2.988 20.453 10.095 1.00 0.00 O ATOM 148 CB ASP A 13 -1.353 22.943 10.072 1.00 0.00 C ATOM 149 CG ASP A 13 -0.079 23.765 10.097 1.00 0.00 C ATOM 150 OD1 ASP A 13 0.269 24.288 11.176 1.00 0.00 O ATOM 151 OD2 ASP A 13 0.569 23.885 9.036 1.00 0.00 O ATOM 0 H ASP A 13 0.542 21.393 10.549 1.00 0.00 H new ATOM 0 HA ASP A 13 -1.358 22.399 12.151 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -1.443 22.447 9.106 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.212 23.606 10.171 1.00 0.00 H new ATOM 156 N PRO A 14 -3.478 21.132 12.186 1.00 0.00 N ATOM 157 CA PRO A 14 -4.755 20.416 12.261 1.00 0.00 C ATOM 158 C PRO A 14 -5.814 21.024 11.348 1.00 0.00 C ATOM 159 O PRO A 14 -6.750 20.344 10.928 1.00 0.00 O ATOM 160 CB PRO A 14 -5.162 20.569 13.729 1.00 0.00 C ATOM 161 CG PRO A 14 -4.479 21.813 14.183 1.00 0.00 C ATOM 162 CD PRO A 14 -3.184 21.876 13.422 1.00 0.00 C ATOM 0 HA PRO A 14 -4.661 19.380 11.937 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.244 20.651 13.834 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.849 19.707 14.319 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.093 22.691 13.982 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.299 21.789 15.258 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.891 22.905 13.212 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.367 21.420 13.981 1.00 0.00 H new ATOM 170 N ASN A 15 -5.661 22.309 11.045 1.00 0.00 N ATOM 171 CA ASN A 15 -6.605 23.009 10.181 1.00 0.00 C ATOM 172 C ASN A 15 -6.540 22.470 8.755 1.00 0.00 C ATOM 173 O ASN A 15 -7.393 22.781 7.924 1.00 0.00 O ATOM 174 CB ASN A 15 -6.315 24.511 10.184 1.00 0.00 C ATOM 175 CG ASN A 15 -6.322 25.098 11.583 1.00 0.00 C ATOM 176 OD1 ASN A 15 -7.263 24.891 12.350 1.00 0.00 O ATOM 177 ND2 ASN A 15 -5.270 25.835 11.920 1.00 0.00 N ATOM 0 H ASN A 15 -4.892 22.887 11.385 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.609 22.839 10.570 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.345 24.692 9.722 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -7.059 25.023 9.574 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.219 26.257 12.847 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.513 25.980 11.251 1.00 0.00 H new ATOM 184 N ALA A 16 -5.523 21.660 8.480 1.00 0.00 N ATOM 185 CA ALA A 16 -5.348 21.076 7.156 1.00 0.00 C ATOM 186 C ALA A 16 -6.074 19.739 7.046 1.00 0.00 C ATOM 187 O ALA A 16 -5.584 18.714 7.522 1.00 0.00 O ATOM 188 CB ALA A 16 -3.869 20.903 6.847 1.00 0.00 C ATOM 0 H ALA A 16 -4.808 21.393 9.157 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.783 21.757 6.425 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.753 20.466 5.855 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.375 21.874 6.875 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.417 20.245 7.589 1.00 0.00 H new ATOM 194 N LEU A 17 -7.243 19.756 6.416 1.00 0.00 N ATOM 195 CA LEU A 17 -8.037 18.545 6.243 1.00 0.00 C ATOM 196 C LEU A 17 -8.170 18.186 4.767 1.00 0.00 C ATOM 197 O LEU A 17 -8.564 19.018 3.948 1.00 0.00 O ATOM 198 CB LEU A 17 -9.424 18.728 6.862 1.00 0.00 C ATOM 199 CG LEU A 17 -9.453 19.169 8.326 1.00 0.00 C ATOM 200 CD1 LEU A 17 -10.733 19.934 8.628 1.00 0.00 C ATOM 201 CD2 LEU A 17 -9.319 17.966 9.248 1.00 0.00 C ATOM 0 H LEU A 17 -7.662 20.596 6.016 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.524 17.729 6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.969 19.464 6.271 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.965 17.786 6.776 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.607 19.833 8.502 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.736 20.240 9.674 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.788 20.817 7.992 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.594 19.294 8.435 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.342 18.299 10.286 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -10.145 17.277 9.070 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.375 17.459 9.050 1.00 0.00 H new ATOM 213 N TYR A 18 -7.841 16.943 4.433 1.00 0.00 N ATOM 214 CA TYR A 18 -7.923 16.475 3.055 1.00 0.00 C ATOM 215 C TYR A 18 -8.929 15.335 2.926 1.00 0.00 C ATOM 216 O TYR A 18 -10.035 15.521 2.419 1.00 0.00 O ATOM 217 CB TYR A 18 -6.548 16.014 2.568 1.00 0.00 C ATOM 218 CG TYR A 18 -5.639 17.150 2.157 1.00 0.00 C ATOM 219 CD1 TYR A 18 -5.956 17.964 1.077 1.00 0.00 C ATOM 220 CD2 TYR A 18 -4.463 17.410 2.850 1.00 0.00 C ATOM 221 CE1 TYR A 18 -5.128 19.002 0.697 1.00 0.00 C ATOM 222 CE2 TYR A 18 -3.629 18.447 2.478 1.00 0.00 C ATOM 223 CZ TYR A 18 -3.966 19.240 1.401 1.00 0.00 C ATOM 224 OH TYR A 18 -3.140 20.275 1.027 1.00 0.00 O ATOM 0 H TYR A 18 -7.515 16.242 5.098 1.00 0.00 H new ATOM 0 HA TYR A 18 -8.261 17.306 2.435 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.065 15.441 3.360 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.679 15.340 1.721 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -6.866 17.782 0.525 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.196 16.791 3.694 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.389 19.624 -0.147 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.718 18.635 3.027 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.365 20.308 1.626 1.00 0.00 H new ATOM 234 N CYS A 19 -8.536 14.153 3.390 1.00 0.00 N ATOM 235 CA CYS A 19 -9.401 12.981 3.329 1.00 0.00 C ATOM 236 C CYS A 19 -10.769 13.282 3.934 1.00 0.00 C ATOM 237 O CYS A 19 -10.934 14.260 4.665 1.00 0.00 O ATOM 238 CB CYS A 19 -8.754 11.805 4.062 1.00 0.00 C ATOM 239 SG CYS A 19 -9.669 10.237 3.905 1.00 0.00 S ATOM 0 H CYS A 19 -7.624 13.982 3.813 1.00 0.00 H new ATOM 0 HA CYS A 19 -9.538 12.716 2.281 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.743 11.664 3.679 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -8.662 12.056 5.119 1.00 0.00 H new ATOM 244 N ILE A 20 -11.746 12.436 3.626 1.00 0.00 N ATOM 245 CA ILE A 20 -13.098 12.610 4.141 1.00 0.00 C ATOM 246 C ILE A 20 -13.135 12.443 5.656 1.00 0.00 C ATOM 247 O ILE A 20 -14.012 12.984 6.331 1.00 0.00 O ATOM 248 CB ILE A 20 -14.078 11.609 3.501 1.00 0.00 C ATOM 249 CG1 ILE A 20 -13.593 10.175 3.722 1.00 0.00 C ATOM 250 CG2 ILE A 20 -14.235 11.898 2.016 1.00 0.00 C ATOM 251 CD1 ILE A 20 -14.635 9.128 3.399 1.00 0.00 C ATOM 0 H ILE A 20 -11.626 11.623 3.022 1.00 0.00 H new ATOM 0 HA ILE A 20 -13.406 13.623 3.882 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.052 11.721 3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.711 10.000 3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.285 10.061 4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -14.931 11.182 1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.621 12.908 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.266 11.811 1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.222 8.136 3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.509 9.277 4.033 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.926 9.215 2.352 1.00 0.00 H new ATOM 263 N CYS A 21 -12.177 11.690 6.187 1.00 0.00 N ATOM 264 CA CYS A 21 -12.098 11.452 7.623 1.00 0.00 C ATOM 265 C CYS A 21 -11.577 12.687 8.351 1.00 0.00 C ATOM 266 O CYS A 21 -11.404 12.674 9.570 1.00 0.00 O ATOM 267 CB CYS A 21 -11.191 10.254 7.912 1.00 0.00 C ATOM 268 SG CYS A 21 -9.442 10.524 7.480 1.00 0.00 S ATOM 0 H CYS A 21 -11.444 11.234 5.643 1.00 0.00 H new ATOM 0 HA CYS A 21 -13.102 11.235 7.987 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.259 10.008 8.972 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.561 9.390 7.360 1.00 0.00 H new ATOM 273 N ARG A 22 -11.328 13.752 7.596 1.00 0.00 N ATOM 274 CA ARG A 22 -10.826 14.995 8.170 1.00 0.00 C ATOM 275 C ARG A 22 -9.537 14.752 8.948 1.00 0.00 C ATOM 276 O ARG A 22 -9.432 15.113 10.120 1.00 0.00 O ATOM 277 CB ARG A 22 -11.879 15.620 9.087 1.00 0.00 C ATOM 278 CG ARG A 22 -12.845 16.545 8.364 1.00 0.00 C ATOM 279 CD ARG A 22 -13.868 15.761 7.558 1.00 0.00 C ATOM 280 NE ARG A 22 -15.136 16.477 7.440 1.00 0.00 N ATOM 281 CZ ARG A 22 -15.302 17.559 6.687 1.00 0.00 C ATOM 282 NH1 ARG A 22 -14.286 18.047 5.989 1.00 0.00 N ATOM 283 NH2 ARG A 22 -16.486 18.154 6.631 1.00 0.00 N ATOM 0 H ARG A 22 -11.466 13.779 6.586 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.612 15.684 7.353 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.445 14.824 9.571 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.376 16.179 9.876 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.358 17.176 9.090 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -12.289 17.208 7.701 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -13.470 15.562 6.563 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.040 14.795 8.032 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.938 16.127 7.964 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.374 17.592 6.029 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.416 18.878 5.412 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.270 17.781 7.166 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.613 18.985 6.053 1.00 0.00 H new ATOM 297 N GLN A 23 -8.560 14.139 8.289 1.00 0.00 N ATOM 298 CA GLN A 23 -7.278 13.847 8.920 1.00 0.00 C ATOM 299 C GLN A 23 -6.120 14.280 8.027 1.00 0.00 C ATOM 300 O GLN A 23 -6.205 14.248 6.799 1.00 0.00 O ATOM 301 CB GLN A 23 -7.167 12.354 9.231 1.00 0.00 C ATOM 302 CG GLN A 23 -8.174 11.870 10.262 1.00 0.00 C ATOM 303 CD GLN A 23 -7.774 10.553 10.896 1.00 0.00 C ATOM 304 OE1 GLN A 23 -6.858 10.500 11.718 1.00 0.00 O ATOM 305 NE2 GLN A 23 -8.459 9.481 10.518 1.00 0.00 N ATOM 0 H GLN A 23 -8.631 13.835 7.318 1.00 0.00 H new ATOM 0 HA GLN A 23 -7.224 14.410 9.852 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.303 11.788 8.309 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -6.160 12.140 9.590 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.283 12.625 11.040 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -9.149 11.759 9.787 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.210 9.571 9.834 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.234 8.567 10.912 1.00 0.00 H new ATOM 314 N PRO A 24 -5.011 14.697 8.655 1.00 0.00 N ATOM 315 CA PRO A 24 -3.814 15.144 7.936 1.00 0.00 C ATOM 316 C PRO A 24 -3.101 13.998 7.228 1.00 0.00 C ATOM 317 O PRO A 24 -3.250 12.834 7.603 1.00 0.00 O ATOM 318 CB PRO A 24 -2.930 15.721 9.045 1.00 0.00 C ATOM 319 CG PRO A 24 -3.366 15.018 10.283 1.00 0.00 C ATOM 320 CD PRO A 24 -4.839 14.762 10.116 1.00 0.00 C ATOM 0 HA PRO A 24 -4.054 15.858 7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -1.874 15.545 8.841 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -3.062 16.799 9.135 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.820 14.084 10.414 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.173 15.627 11.166 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.142 13.833 10.598 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.438 15.559 10.556 1.00 0.00 H new ATOM 328 N HIS A 25 -2.325 14.333 6.202 1.00 0.00 N ATOM 329 CA HIS A 25 -1.587 13.331 5.442 1.00 0.00 C ATOM 330 C HIS A 25 -0.592 12.595 6.335 1.00 0.00 C ATOM 331 O HIS A 25 0.449 13.140 6.700 1.00 0.00 O ATOM 332 CB HIS A 25 -0.852 13.986 4.272 1.00 0.00 C ATOM 333 CG HIS A 25 0.313 13.187 3.773 1.00 0.00 C ATOM 334 ND1 HIS A 25 1.544 13.744 3.498 1.00 0.00 N ATOM 335 CD2 HIS A 25 0.429 11.866 3.502 1.00 0.00 C ATOM 336 CE1 HIS A 25 2.367 12.800 3.077 1.00 0.00 C ATOM 337 NE2 HIS A 25 1.715 11.651 3.071 1.00 0.00 N ATOM 0 H HIS A 25 -2.191 15.291 5.878 1.00 0.00 H new ATOM 0 HA HIS A 25 -2.303 12.607 5.052 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.554 14.139 3.453 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.501 14.971 4.580 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -0.345 11.120 3.605 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.397 12.943 2.787 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.104 10.750 2.792 1.00 0.00 H new ATOM 346 N ASN A 26 -0.921 11.356 6.684 1.00 0.00 N ATOM 347 CA ASN A 26 -0.056 10.546 7.535 1.00 0.00 C ATOM 348 C ASN A 26 0.510 9.359 6.763 1.00 0.00 C ATOM 349 O ASN A 26 0.141 9.119 5.614 1.00 0.00 O ATOM 350 CB ASN A 26 -0.830 10.051 8.758 1.00 0.00 C ATOM 351 CG ASN A 26 -1.416 11.189 9.572 1.00 0.00 C ATOM 352 OD1 ASN A 26 -0.696 12.080 10.022 1.00 0.00 O ATOM 353 ND2 ASN A 26 -2.730 11.163 9.763 1.00 0.00 N ATOM 0 H ASN A 26 -1.780 10.891 6.391 1.00 0.00 H new ATOM 0 HA ASN A 26 0.774 11.170 7.866 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.633 9.390 8.433 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -0.167 9.460 9.390 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -3.182 11.902 10.302 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -3.287 10.404 9.371 1.00 0.00 H new ATOM 360 N ASN A 27 1.410 8.619 7.403 1.00 0.00 N ATOM 361 CA ASN A 27 2.028 7.456 6.776 1.00 0.00 C ATOM 362 C ASN A 27 1.035 6.733 5.871 1.00 0.00 C ATOM 363 O ASN A 27 1.402 6.226 4.811 1.00 0.00 O ATOM 364 CB ASN A 27 2.555 6.495 7.844 1.00 0.00 C ATOM 365 CG ASN A 27 3.932 6.884 8.344 1.00 0.00 C ATOM 366 OD1 ASN A 27 4.067 7.724 9.234 1.00 0.00 O ATOM 367 ND2 ASN A 27 4.964 6.274 7.772 1.00 0.00 N ATOM 0 H ASN A 27 1.727 8.804 8.355 1.00 0.00 H new ATOM 0 HA ASN A 27 2.862 7.804 6.166 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.860 6.473 8.683 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.592 5.486 7.434 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.915 6.496 8.067 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.806 5.584 7.038 1.00 0.00 H new ATOM 374 N ARG A 28 -0.223 6.692 6.296 1.00 0.00 N ATOM 375 CA ARG A 28 -1.269 6.032 5.524 1.00 0.00 C ATOM 376 C ARG A 28 -1.093 6.296 4.032 1.00 0.00 C ATOM 377 O ARG A 28 -0.619 7.359 3.631 1.00 0.00 O ATOM 378 CB ARG A 28 -2.649 6.513 5.979 1.00 0.00 C ATOM 379 CG ARG A 28 -2.907 6.307 7.463 1.00 0.00 C ATOM 380 CD ARG A 28 -4.299 6.776 7.856 1.00 0.00 C ATOM 381 NE ARG A 28 -5.317 5.769 7.571 1.00 0.00 N ATOM 382 CZ ARG A 28 -5.390 4.600 8.197 1.00 0.00 C ATOM 383 NH1 ARG A 28 -4.508 4.292 9.138 1.00 0.00 N ATOM 384 NH2 ARG A 28 -6.346 3.736 7.882 1.00 0.00 N ATOM 0 H ARG A 28 -0.543 7.108 7.171 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.190 4.959 5.697 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -2.750 7.573 5.745 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.414 5.986 5.409 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -2.794 5.251 7.710 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.161 6.851 8.042 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.314 7.016 8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.537 7.694 7.319 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.010 5.975 6.852 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.771 4.954 9.383 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.566 3.393 9.617 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.026 3.969 7.158 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.401 2.838 8.363 1.00 0.00 H new ATOM 398 N PHE A 29 -1.477 5.322 3.214 1.00 0.00 N ATOM 399 CA PHE A 29 -1.360 5.448 1.766 1.00 0.00 C ATOM 400 C PHE A 29 -2.372 6.454 1.225 1.00 0.00 C ATOM 401 O PHE A 29 -3.537 6.453 1.621 1.00 0.00 O ATOM 402 CB PHE A 29 -1.568 4.088 1.096 1.00 0.00 C ATOM 403 CG PHE A 29 -1.612 4.160 -0.403 1.00 0.00 C ATOM 404 CD1 PHE A 29 -0.544 4.679 -1.117 1.00 0.00 C ATOM 405 CD2 PHE A 29 -2.722 3.708 -1.099 1.00 0.00 C ATOM 406 CE1 PHE A 29 -0.582 4.746 -2.497 1.00 0.00 C ATOM 407 CE2 PHE A 29 -2.765 3.772 -2.479 1.00 0.00 C ATOM 408 CZ PHE A 29 -1.694 4.292 -3.179 1.00 0.00 C ATOM 0 H PHE A 29 -1.872 4.436 3.529 1.00 0.00 H new ATOM 0 HA PHE A 29 -0.357 5.808 1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.763 3.417 1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.499 3.652 1.458 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.328 5.035 -0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.563 3.301 -0.557 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.257 5.153 -3.042 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.636 3.416 -3.010 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.726 4.344 -4.257 1.00 0.00 H new ATOM 418 N MET A 30 -1.916 7.311 0.317 1.00 0.00 N ATOM 419 CA MET A 30 -2.781 8.323 -0.280 1.00 0.00 C ATOM 420 C MET A 30 -2.773 8.216 -1.801 1.00 0.00 C ATOM 421 O MET A 30 -1.773 7.819 -2.399 1.00 0.00 O ATOM 422 CB MET A 30 -2.334 9.723 0.147 1.00 0.00 C ATOM 423 CG MET A 30 -2.610 10.029 1.610 1.00 0.00 C ATOM 424 SD MET A 30 -4.233 10.769 1.870 1.00 0.00 S ATOM 425 CE MET A 30 -3.774 12.437 2.336 1.00 0.00 C ATOM 0 H MET A 30 -0.954 7.325 -0.021 1.00 0.00 H new ATOM 0 HA MET A 30 -3.798 8.151 0.073 1.00 0.00 H new ATOM 0 HB2 MET A 30 -1.266 9.828 -0.042 1.00 0.00 H new ATOM 0 HB3 MET A 30 -2.842 10.462 -0.472 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.537 9.109 2.190 1.00 0.00 H new ATOM 0 HG3 MET A 30 -1.842 10.705 1.987 1.00 0.00 H new ATOM 0 HE1 MET A 30 -4.571 13.126 2.055 1.00 0.00 H new ATOM 0 HE2 MET A 30 -3.617 12.484 3.414 1.00 0.00 H new ATOM 0 HE3 MET A 30 -2.854 12.718 1.823 1.00 0.00 H new ATOM 435 N ILE A 31 -3.894 8.571 -2.420 1.00 0.00 N ATOM 436 CA ILE A 31 -4.015 8.514 -3.872 1.00 0.00 C ATOM 437 C ILE A 31 -4.682 9.772 -4.417 1.00 0.00 C ATOM 438 O ILE A 31 -5.382 10.480 -3.691 1.00 0.00 O ATOM 439 CB ILE A 31 -4.821 7.282 -4.322 1.00 0.00 C ATOM 440 CG1 ILE A 31 -6.313 7.498 -4.058 1.00 0.00 C ATOM 441 CG2 ILE A 31 -4.326 6.034 -3.607 1.00 0.00 C ATOM 442 CD1 ILE A 31 -6.663 7.568 -2.588 1.00 0.00 C ATOM 0 H ILE A 31 -4.731 8.901 -1.939 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.003 8.440 -4.271 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.677 7.143 -5.393 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.629 8.422 -4.543 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.876 6.687 -4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -4.906 5.172 -3.936 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -3.273 5.874 -3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.443 6.161 -2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -7.736 7.722 -2.476 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.378 6.635 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -6.127 8.397 -2.126 1.00 0.00 H new ATOM 454 N CYS A 32 -4.463 10.044 -5.699 1.00 0.00 N ATOM 455 CA CYS A 32 -5.045 11.216 -6.342 1.00 0.00 C ATOM 456 C CYS A 32 -6.233 10.825 -7.215 1.00 0.00 C ATOM 457 O CYS A 32 -6.064 10.253 -8.292 1.00 0.00 O ATOM 458 CB CYS A 32 -3.991 11.935 -7.187 1.00 0.00 C ATOM 459 SG CYS A 32 -3.286 10.921 -8.507 1.00 0.00 S ATOM 0 H CYS A 32 -3.887 9.469 -6.313 1.00 0.00 H new ATOM 0 HA CYS A 32 -5.398 11.890 -5.562 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -4.440 12.825 -7.628 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -3.186 12.273 -6.534 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.220 10.189 -9.038 1.00 0.00 H new ATOM 465 N CYS A 33 -7.435 11.135 -6.741 1.00 0.00 N ATOM 466 CA CYS A 33 -8.653 10.813 -7.476 1.00 0.00 C ATOM 467 C CYS A 33 -8.726 11.604 -8.779 1.00 0.00 C ATOM 468 O CYS A 33 -7.974 12.557 -8.982 1.00 0.00 O ATOM 469 CB CYS A 33 -9.884 11.109 -6.618 1.00 0.00 C ATOM 470 SG CYS A 33 -11.427 10.380 -7.255 1.00 0.00 S ATOM 0 H CYS A 33 -7.592 11.609 -5.851 1.00 0.00 H new ATOM 0 HA CYS A 33 -8.633 9.750 -7.717 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.708 10.737 -5.609 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -10.009 12.189 -6.542 1.00 0.00 H new ATOM 475 N ASP A 34 -9.637 11.201 -9.658 1.00 0.00 N ATOM 476 CA ASP A 34 -9.810 11.872 -10.941 1.00 0.00 C ATOM 477 C ASP A 34 -11.179 12.541 -11.024 1.00 0.00 C ATOM 478 O ASP A 34 -11.357 13.525 -11.743 1.00 0.00 O ATOM 479 CB ASP A 34 -9.646 10.874 -12.089 1.00 0.00 C ATOM 480 CG ASP A 34 -8.280 10.217 -12.094 1.00 0.00 C ATOM 481 OD1 ASP A 34 -7.945 9.536 -11.103 1.00 0.00 O ATOM 482 OD2 ASP A 34 -7.546 10.385 -13.090 1.00 0.00 O ATOM 0 H ASP A 34 -10.267 10.413 -9.506 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.043 12.642 -11.027 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -10.415 10.106 -12.011 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.803 11.387 -13.038 1.00 0.00 H new ATOM 487 N ARG A 35 -12.142 12.001 -10.285 1.00 0.00 N ATOM 488 CA ARG A 35 -13.495 12.544 -10.277 1.00 0.00 C ATOM 489 C ARG A 35 -13.559 13.832 -9.460 1.00 0.00 C ATOM 490 O ARG A 35 -13.856 14.902 -9.991 1.00 0.00 O ATOM 491 CB ARG A 35 -14.476 11.518 -9.708 1.00 0.00 C ATOM 492 CG ARG A 35 -15.050 10.578 -10.756 1.00 0.00 C ATOM 493 CD ARG A 35 -16.334 11.129 -11.355 1.00 0.00 C ATOM 494 NE ARG A 35 -17.498 10.830 -10.526 1.00 0.00 N ATOM 495 CZ ARG A 35 -18.740 10.775 -10.994 1.00 0.00 C ATOM 496 NH1 ARG A 35 -18.977 10.998 -12.279 1.00 0.00 N ATOM 497 NH2 ARG A 35 -19.747 10.497 -10.176 1.00 0.00 N ATOM 0 H ARG A 35 -12.011 11.188 -9.684 1.00 0.00 H new ATOM 0 HA ARG A 35 -13.774 12.772 -11.306 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -13.970 10.930 -8.943 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -15.294 12.044 -9.217 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -14.316 10.421 -11.547 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -15.246 9.605 -10.305 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -16.243 12.208 -11.476 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -16.480 10.708 -12.350 1.00 0.00 H new ATOM 0 HE ARG A 35 -17.349 10.654 -9.532 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -18.205 11.212 -12.910 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -19.931 10.955 -12.636 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -19.568 10.325 -9.187 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -20.700 10.455 -10.537 1.00 0.00 H new ATOM 511 N CYS A 36 -13.278 13.720 -8.166 1.00 0.00 N ATOM 512 CA CYS A 36 -13.304 14.873 -7.275 1.00 0.00 C ATOM 513 C CYS A 36 -11.908 15.468 -7.113 1.00 0.00 C ATOM 514 O CYS A 36 -11.741 16.531 -6.516 1.00 0.00 O ATOM 515 CB CYS A 36 -13.863 14.475 -5.907 1.00 0.00 C ATOM 516 SG CYS A 36 -12.833 13.274 -5.005 1.00 0.00 S ATOM 0 H CYS A 36 -13.030 12.841 -7.711 1.00 0.00 H new ATOM 0 HA CYS A 36 -13.952 15.629 -7.719 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -13.975 15.372 -5.297 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -14.859 14.054 -6.042 1.00 0.00 H new ATOM 521 N GLU A 37 -10.910 14.773 -7.649 1.00 0.00 N ATOM 522 CA GLU A 37 -9.528 15.232 -7.563 1.00 0.00 C ATOM 523 C GLU A 37 -9.173 15.623 -6.131 1.00 0.00 C ATOM 524 O GLU A 37 -8.722 16.739 -5.876 1.00 0.00 O ATOM 525 CB GLU A 37 -9.303 16.421 -8.499 1.00 0.00 C ATOM 526 CG GLU A 37 -8.867 16.021 -9.898 1.00 0.00 C ATOM 527 CD GLU A 37 -8.231 17.167 -10.661 1.00 0.00 C ATOM 528 OE1 GLU A 37 -7.057 17.488 -10.381 1.00 0.00 O ATOM 529 OE2 GLU A 37 -8.908 17.743 -11.538 1.00 0.00 O ATOM 0 H GLU A 37 -11.032 13.891 -8.147 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.879 14.411 -7.869 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.225 16.999 -8.566 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -8.547 17.076 -8.065 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.158 15.196 -9.831 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.731 15.655 -10.453 1.00 0.00 H new ATOM 536 N GLU A 38 -9.380 14.695 -5.202 1.00 0.00 N ATOM 537 CA GLU A 38 -9.083 14.943 -3.796 1.00 0.00 C ATOM 538 C GLU A 38 -8.147 13.873 -3.241 1.00 0.00 C ATOM 539 O GLU A 38 -7.951 12.825 -3.856 1.00 0.00 O ATOM 540 CB GLU A 38 -10.375 14.981 -2.978 1.00 0.00 C ATOM 541 CG GLU A 38 -11.071 16.332 -3.000 1.00 0.00 C ATOM 542 CD GLU A 38 -12.135 16.457 -1.927 1.00 0.00 C ATOM 543 OE1 GLU A 38 -12.968 15.534 -1.807 1.00 0.00 O ATOM 544 OE2 GLU A 38 -12.135 17.478 -1.208 1.00 0.00 O ATOM 0 H GLU A 38 -9.752 13.765 -5.397 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.586 15.910 -3.721 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.059 14.223 -3.360 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.149 14.715 -1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.330 17.120 -2.866 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.527 16.486 -3.978 1.00 0.00 H new ATOM 551 N TRP A 39 -7.572 14.146 -2.075 1.00 0.00 N ATOM 552 CA TRP A 39 -6.656 13.208 -1.437 1.00 0.00 C ATOM 553 C TRP A 39 -7.364 12.416 -0.342 1.00 0.00 C ATOM 554 O TRP A 39 -8.007 12.991 0.536 1.00 0.00 O ATOM 555 CB TRP A 39 -5.457 13.954 -0.850 1.00 0.00 C ATOM 556 CG TRP A 39 -4.460 14.383 -1.884 1.00 0.00 C ATOM 557 CD1 TRP A 39 -4.248 15.652 -2.341 1.00 0.00 C ATOM 558 CD2 TRP A 39 -3.542 13.541 -2.590 1.00 0.00 C ATOM 559 NE1 TRP A 39 -3.254 15.651 -3.289 1.00 0.00 N ATOM 560 CE2 TRP A 39 -2.803 14.368 -3.459 1.00 0.00 C ATOM 561 CE3 TRP A 39 -3.271 12.171 -2.572 1.00 0.00 C ATOM 562 CZ2 TRP A 39 -1.814 13.867 -4.301 1.00 0.00 C ATOM 563 CZ3 TRP A 39 -2.288 11.675 -3.408 1.00 0.00 C ATOM 564 CH2 TRP A 39 -1.569 12.521 -4.262 1.00 0.00 C ATOM 0 H TRP A 39 -7.724 15.009 -1.553 1.00 0.00 H new ATOM 0 HA TRP A 39 -6.304 12.509 -2.196 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.813 14.833 -0.312 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.961 13.313 -0.121 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.783 16.528 -2.006 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -2.908 16.472 -3.786 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -3.820 11.511 -1.917 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.260 14.517 -4.962 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.071 10.617 -3.403 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.806 12.103 -4.902 1.00 0.00 H new ATOM 575 N PHE A 40 -7.240 11.095 -0.400 1.00 0.00 N ATOM 576 CA PHE A 40 -7.868 10.224 0.587 1.00 0.00 C ATOM 577 C PHE A 40 -6.924 9.098 0.998 1.00 0.00 C ATOM 578 O PHE A 40 -5.870 8.904 0.392 1.00 0.00 O ATOM 579 CB PHE A 40 -9.166 9.638 0.028 1.00 0.00 C ATOM 580 CG PHE A 40 -10.076 10.667 -0.579 1.00 0.00 C ATOM 581 CD1 PHE A 40 -10.808 11.525 0.226 1.00 0.00 C ATOM 582 CD2 PHE A 40 -10.201 10.776 -1.955 1.00 0.00 C ATOM 583 CE1 PHE A 40 -11.646 12.474 -0.329 1.00 0.00 C ATOM 584 CE2 PHE A 40 -11.037 11.723 -2.516 1.00 0.00 C ATOM 585 CZ PHE A 40 -11.761 12.572 -1.702 1.00 0.00 C ATOM 0 H PHE A 40 -6.710 10.603 -1.120 1.00 0.00 H new ATOM 0 HA PHE A 40 -8.097 10.822 1.469 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -8.922 8.890 -0.726 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -9.697 9.122 0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -10.723 11.451 1.300 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -9.639 10.113 -2.596 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -12.210 13.138 0.310 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -11.124 11.799 -3.590 1.00 0.00 H new ATOM 0 HZ PHE A 40 -12.416 13.311 -2.138 1.00 0.00 H new ATOM 595 N HIS A 41 -7.310 8.359 2.033 1.00 0.00 N ATOM 596 CA HIS A 41 -6.499 7.251 2.527 1.00 0.00 C ATOM 597 C HIS A 41 -7.031 5.917 2.013 1.00 0.00 C ATOM 598 O HIS A 41 -8.202 5.590 2.201 1.00 0.00 O ATOM 599 CB HIS A 41 -6.477 7.250 4.056 1.00 0.00 C ATOM 600 CG HIS A 41 -5.908 8.503 4.648 1.00 0.00 C ATOM 601 ND1 HIS A 41 -6.602 9.298 5.536 1.00 0.00 N ATOM 602 CD2 HIS A 41 -4.704 9.096 4.476 1.00 0.00 C ATOM 603 CE1 HIS A 41 -5.849 10.326 5.883 1.00 0.00 C ATOM 604 NE2 HIS A 41 -4.692 10.227 5.254 1.00 0.00 N ATOM 0 H HIS A 41 -8.179 8.507 2.546 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.482 7.383 2.157 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -7.493 7.112 4.426 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.893 6.397 4.402 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -3.902 8.745 3.844 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.131 11.114 6.565 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -3.916 10.884 5.333 1.00 0.00 H new ATOM 612 N GLY A 42 -6.162 5.150 1.361 1.00 0.00 N ATOM 613 CA GLY A 42 -6.563 3.861 0.830 1.00 0.00 C ATOM 614 C GLY A 42 -7.572 3.157 1.715 1.00 0.00 C ATOM 615 O GLY A 42 -8.719 2.951 1.318 1.00 0.00 O ATOM 0 H GLY A 42 -5.187 5.399 1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.989 3.998 -0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.682 3.229 0.715 1.00 0.00 H new ATOM 619 N ASP A 43 -7.145 2.785 2.917 1.00 0.00 N ATOM 620 CA ASP A 43 -8.019 2.099 3.861 1.00 0.00 C ATOM 621 C ASP A 43 -9.383 2.780 3.931 1.00 0.00 C ATOM 622 O ASP A 43 -10.420 2.130 3.800 1.00 0.00 O ATOM 623 CB ASP A 43 -7.379 2.067 5.250 1.00 0.00 C ATOM 624 CG ASP A 43 -6.414 0.909 5.415 1.00 0.00 C ATOM 625 OD1 ASP A 43 -5.314 0.966 4.827 1.00 0.00 O ATOM 626 OD2 ASP A 43 -6.759 -0.054 6.132 1.00 0.00 O ATOM 0 H ASP A 43 -6.198 2.947 3.260 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.161 1.076 3.511 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.851 3.004 5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.161 1.995 6.006 1.00 0.00 H new ATOM 631 N CYS A 44 -9.374 4.092 4.141 1.00 0.00 N ATOM 632 CA CYS A 44 -10.609 4.861 4.231 1.00 0.00 C ATOM 633 C CYS A 44 -11.487 4.624 3.006 1.00 0.00 C ATOM 634 O CYS A 44 -12.617 4.149 3.121 1.00 0.00 O ATOM 635 CB CYS A 44 -10.297 6.352 4.368 1.00 0.00 C ATOM 636 SG CYS A 44 -9.591 6.819 5.982 1.00 0.00 S ATOM 0 H CYS A 44 -8.524 4.645 4.252 1.00 0.00 H new ATOM 0 HA CYS A 44 -11.152 4.528 5.115 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -9.600 6.640 3.581 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -11.213 6.920 4.206 1.00 0.00 H new ATOM 641 N VAL A 45 -10.959 4.959 1.833 1.00 0.00 N ATOM 642 CA VAL A 45 -11.694 4.782 0.586 1.00 0.00 C ATOM 643 C VAL A 45 -11.670 3.326 0.135 1.00 0.00 C ATOM 644 O VAL A 45 -12.092 3.001 -0.973 1.00 0.00 O ATOM 645 CB VAL A 45 -11.115 5.665 -0.536 1.00 0.00 C ATOM 646 CG1 VAL A 45 -11.364 7.136 -0.241 1.00 0.00 C ATOM 647 CG2 VAL A 45 -9.629 5.392 -0.715 1.00 0.00 C ATOM 0 H VAL A 45 -10.025 5.354 1.720 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.724 5.082 0.780 1.00 0.00 H new ATOM 0 HB VAL A 45 -11.622 5.416 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.948 7.744 -1.045 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -12.437 7.316 -0.168 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.886 7.404 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -9.236 6.024 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -9.104 5.612 0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -9.480 4.344 -0.977 1.00 0.00 H new ATOM 657 N GLY A 46 -11.173 2.452 1.005 1.00 0.00 N ATOM 658 CA GLY A 46 -11.103 1.039 0.679 1.00 0.00 C ATOM 659 C GLY A 46 -9.835 0.679 -0.069 1.00 0.00 C ATOM 660 O GLY A 46 -9.145 -0.276 0.289 1.00 0.00 O ATOM 0 H GLY A 46 -10.818 2.697 1.929 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -11.158 0.454 1.597 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -11.968 0.765 0.075 1.00 0.00 H new ATOM 664 N ILE A 47 -9.527 1.443 -1.112 1.00 0.00 N ATOM 665 CA ILE A 47 -8.334 1.198 -1.912 1.00 0.00 C ATOM 666 C ILE A 47 -7.169 0.747 -1.038 1.00 0.00 C ATOM 667 O ILE A 47 -6.769 1.447 -0.108 1.00 0.00 O ATOM 668 CB ILE A 47 -7.915 2.455 -2.697 1.00 0.00 C ATOM 669 CG1 ILE A 47 -9.031 2.880 -3.654 1.00 0.00 C ATOM 670 CG2 ILE A 47 -6.625 2.197 -3.461 1.00 0.00 C ATOM 671 CD1 ILE A 47 -9.343 1.848 -4.715 1.00 0.00 C ATOM 0 H ILE A 47 -10.087 2.237 -1.422 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.584 0.405 -2.617 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.739 3.266 -1.990 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.934 3.082 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.746 3.814 -4.139 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.342 3.095 -4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.833 1.936 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.775 1.375 -4.161 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -10.143 2.217 -5.357 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.452 1.663 -5.315 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.659 0.920 -4.238 1.00 0.00 H new ATOM 683 N SER A 48 -6.627 -0.428 -1.344 1.00 0.00 N ATOM 684 CA SER A 48 -5.508 -0.974 -0.585 1.00 0.00 C ATOM 685 C SER A 48 -4.178 -0.487 -1.151 1.00 0.00 C ATOM 686 O SER A 48 -4.088 -0.114 -2.320 1.00 0.00 O ATOM 687 CB SER A 48 -5.552 -2.504 -0.601 1.00 0.00 C ATOM 688 OG SER A 48 -4.888 -3.021 -1.741 1.00 0.00 O ATOM 0 H SER A 48 -6.945 -1.020 -2.112 1.00 0.00 H new ATOM 0 HA SER A 48 -5.595 -0.625 0.444 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.085 -2.894 0.304 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.588 -2.841 -0.596 1.00 0.00 H new ATOM 0 HG SER A 48 -4.929 -4.000 -1.727 1.00 0.00 H new ATOM 694 N GLU A 49 -3.147 -0.492 -0.311 1.00 0.00 N ATOM 695 CA GLU A 49 -1.821 -0.050 -0.727 1.00 0.00 C ATOM 696 C GLU A 49 -1.460 -0.624 -2.094 1.00 0.00 C ATOM 697 O GLU A 49 -0.974 0.090 -2.971 1.00 0.00 O ATOM 698 CB GLU A 49 -0.773 -0.465 0.307 1.00 0.00 C ATOM 699 CG GLU A 49 0.555 0.258 0.151 1.00 0.00 C ATOM 700 CD GLU A 49 1.460 -0.398 -0.873 1.00 0.00 C ATOM 701 OE1 GLU A 49 1.312 -1.617 -1.102 1.00 0.00 O ATOM 702 OE2 GLU A 49 2.316 0.308 -1.445 1.00 0.00 O ATOM 0 H GLU A 49 -3.205 -0.797 0.661 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.835 1.037 -0.802 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.165 -0.275 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.604 -1.539 0.230 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.369 1.291 -0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.064 0.287 1.114 1.00 0.00 H new ATOM 709 N ALA A 50 -1.700 -1.920 -2.266 1.00 0.00 N ATOM 710 CA ALA A 50 -1.401 -2.591 -3.525 1.00 0.00 C ATOM 711 C ALA A 50 -2.375 -2.165 -4.619 1.00 0.00 C ATOM 712 O ALA A 50 -1.964 -1.789 -5.717 1.00 0.00 O ATOM 713 CB ALA A 50 -1.439 -4.101 -3.341 1.00 0.00 C ATOM 0 H ALA A 50 -2.100 -2.526 -1.550 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.397 -2.299 -3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.214 -4.589 -4.289 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.699 -4.396 -2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.431 -4.402 -3.005 1.00 0.00 H new ATOM 719 N ARG A 51 -3.667 -2.228 -4.312 1.00 0.00 N ATOM 720 CA ARG A 51 -4.699 -1.851 -5.270 1.00 0.00 C ATOM 721 C ARG A 51 -4.330 -0.553 -5.983 1.00 0.00 C ATOM 722 O ARG A 51 -4.462 -0.443 -7.201 1.00 0.00 O ATOM 723 CB ARG A 51 -6.046 -1.692 -4.564 1.00 0.00 C ATOM 724 CG ARG A 51 -7.238 -2.048 -5.438 1.00 0.00 C ATOM 725 CD ARG A 51 -7.598 -0.909 -6.379 1.00 0.00 C ATOM 726 NE ARG A 51 -8.962 -1.028 -6.886 1.00 0.00 N ATOM 727 CZ ARG A 51 -9.535 -0.126 -7.675 1.00 0.00 C ATOM 728 NH1 ARG A 51 -8.864 0.956 -8.046 1.00 0.00 N ATOM 729 NH2 ARG A 51 -10.780 -0.305 -8.096 1.00 0.00 N ATOM 0 H ARG A 51 -4.023 -2.537 -3.407 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.777 -2.644 -6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.057 -2.322 -3.675 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.150 -0.661 -4.225 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.011 -2.943 -6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.095 -2.285 -4.808 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -7.487 0.041 -5.857 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.900 -0.896 -7.216 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.505 -1.849 -6.620 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.906 1.097 -7.725 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.306 1.647 -8.652 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -11.299 -1.136 -7.814 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.218 0.389 -8.702 1.00 0.00 H new ATOM 743 N GLY A 52 -3.868 0.428 -5.214 1.00 0.00 N ATOM 744 CA GLY A 52 -3.488 1.705 -5.790 1.00 0.00 C ATOM 745 C GLY A 52 -2.164 1.640 -6.523 1.00 0.00 C ATOM 746 O GLY A 52 -2.054 2.094 -7.662 1.00 0.00 O ATOM 0 H GLY A 52 -3.750 0.362 -4.203 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.265 2.035 -6.479 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.425 2.452 -4.999 1.00 0.00 H new ATOM 750 N ARG A 53 -1.154 1.075 -5.869 1.00 0.00 N ATOM 751 CA ARG A 53 0.171 0.955 -6.465 1.00 0.00 C ATOM 752 C ARG A 53 0.071 0.570 -7.938 1.00 0.00 C ATOM 753 O ARG A 53 0.723 1.170 -8.794 1.00 0.00 O ATOM 754 CB ARG A 53 1.001 -0.086 -5.710 1.00 0.00 C ATOM 755 CG ARG A 53 1.644 0.452 -4.443 1.00 0.00 C ATOM 756 CD ARG A 53 3.005 1.067 -4.726 1.00 0.00 C ATOM 757 NE ARG A 53 3.711 1.425 -3.499 1.00 0.00 N ATOM 758 CZ ARG A 53 5.006 1.720 -3.455 1.00 0.00 C ATOM 759 NH1 ARG A 53 5.731 1.701 -4.564 1.00 0.00 N ATOM 760 NH2 ARG A 53 5.577 2.035 -2.299 1.00 0.00 N ATOM 0 H ARG A 53 -1.228 0.693 -4.926 1.00 0.00 H new ATOM 0 HA ARG A 53 0.664 1.925 -6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.362 -0.931 -5.453 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.781 -0.465 -6.370 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.992 1.200 -3.993 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.752 -0.355 -3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.609 0.363 -5.299 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.879 1.956 -5.344 1.00 0.00 H new ATOM 0 HE ARG A 53 3.181 1.450 -2.628 1.00 0.00 H new ATOM 0 HH11 ARG A 53 5.295 1.460 -5.454 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.725 1.928 -4.528 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.022 2.051 -1.444 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.571 2.261 -2.266 1.00 0.00 H new ATOM 774 N LEU A 54 -0.748 -0.435 -8.228 1.00 0.00 N ATOM 775 CA LEU A 54 -0.934 -0.901 -9.597 1.00 0.00 C ATOM 776 C LEU A 54 -1.536 0.196 -10.469 1.00 0.00 C ATOM 777 O LEU A 54 -1.020 0.502 -11.545 1.00 0.00 O ATOM 778 CB LEU A 54 -1.834 -2.138 -9.619 1.00 0.00 C ATOM 779 CG LEU A 54 -1.191 -3.445 -9.155 1.00 0.00 C ATOM 780 CD1 LEU A 54 -2.253 -4.506 -8.914 1.00 0.00 C ATOM 781 CD2 LEU A 54 -0.172 -3.929 -10.176 1.00 0.00 C ATOM 0 H LEU A 54 -1.294 -0.943 -7.532 1.00 0.00 H new ATOM 0 HA LEU A 54 0.044 -1.164 -10.000 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.703 -1.941 -8.991 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.200 -2.278 -10.636 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.673 -3.259 -8.214 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.777 -5.429 -8.584 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.945 -4.160 -8.146 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -2.800 -4.690 -9.839 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.276 -4.860 -9.830 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.667 -4.098 -11.132 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.606 -3.176 -10.299 1.00 0.00 H new ATOM 793 N LEU A 55 -2.629 0.786 -9.998 1.00 0.00 N ATOM 794 CA LEU A 55 -3.301 1.851 -10.733 1.00 0.00 C ATOM 795 C LEU A 55 -2.289 2.832 -11.317 1.00 0.00 C ATOM 796 O LEU A 55 -2.541 3.458 -12.346 1.00 0.00 O ATOM 797 CB LEU A 55 -4.276 2.593 -9.818 1.00 0.00 C ATOM 798 CG LEU A 55 -5.485 1.791 -9.334 1.00 0.00 C ATOM 799 CD1 LEU A 55 -6.089 2.430 -8.093 1.00 0.00 C ATOM 800 CD2 LEU A 55 -6.526 1.678 -10.438 1.00 0.00 C ATOM 0 H LEU A 55 -3.069 0.545 -9.110 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.856 1.397 -11.554 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.727 2.946 -8.945 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.638 3.475 -10.346 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.150 0.787 -9.073 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.948 1.845 -7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.343 2.458 -7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.409 3.445 -8.326 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.379 1.104 -10.076 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.856 2.675 -10.730 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.089 1.174 -11.300 1.00 0.00 H new ATOM 812 N GLU A 56 -1.143 2.957 -10.655 1.00 0.00 N ATOM 813 CA GLU A 56 -0.093 3.860 -11.110 1.00 0.00 C ATOM 814 C GLU A 56 0.697 3.241 -12.260 1.00 0.00 C ATOM 815 O GLU A 56 0.600 3.686 -13.404 1.00 0.00 O ATOM 816 CB GLU A 56 0.851 4.204 -9.956 1.00 0.00 C ATOM 817 CG GLU A 56 0.435 5.440 -9.177 1.00 0.00 C ATOM 818 CD GLU A 56 1.406 5.784 -8.065 1.00 0.00 C ATOM 819 OE1 GLU A 56 2.084 4.862 -7.564 1.00 0.00 O ATOM 820 OE2 GLU A 56 1.489 6.973 -7.694 1.00 0.00 O ATOM 0 H GLU A 56 -0.918 2.444 -9.802 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.566 4.774 -11.468 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.902 3.355 -9.274 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.855 4.355 -10.352 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.357 6.286 -9.860 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.556 5.280 -8.752 1.00 0.00 H new ATOM 827 N ARG A 57 1.478 2.212 -11.947 1.00 0.00 N ATOM 828 CA ARG A 57 2.286 1.533 -12.952 1.00 0.00 C ATOM 829 C ARG A 57 1.428 1.102 -14.138 1.00 0.00 C ATOM 830 O ARG A 57 1.716 1.448 -15.283 1.00 0.00 O ATOM 831 CB ARG A 57 2.979 0.314 -12.341 1.00 0.00 C ATOM 832 CG ARG A 57 2.025 -0.647 -11.650 1.00 0.00 C ATOM 833 CD ARG A 57 2.760 -1.560 -10.681 1.00 0.00 C ATOM 834 NE ARG A 57 3.479 -2.626 -11.373 1.00 0.00 N ATOM 835 CZ ARG A 57 4.494 -3.296 -10.837 1.00 0.00 C ATOM 836 NH1 ARG A 57 4.905 -3.012 -9.609 1.00 0.00 N ATOM 837 NH2 ARG A 57 5.098 -4.253 -11.529 1.00 0.00 N ATOM 0 H ARG A 57 1.568 1.831 -11.005 1.00 0.00 H new ATOM 0 HA ARG A 57 3.043 2.232 -13.308 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.514 -0.220 -13.126 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.724 0.653 -11.621 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.263 -0.082 -11.113 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.508 -1.249 -12.397 1.00 0.00 H new ATOM 0 HD2 ARG A 57 3.463 -0.972 -10.091 1.00 0.00 H new ATOM 0 HD3 ARG A 57 2.046 -1.998 -9.983 1.00 0.00 H new ATOM 0 HE ARG A 57 3.186 -2.870 -12.319 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.442 -2.278 -9.073 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.684 -3.528 -9.200 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.784 -4.475 -12.474 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.877 -4.767 -11.117 1.00 0.00 H new ATOM 851 N ASN A 58 0.374 0.344 -13.855 1.00 0.00 N ATOM 852 CA ASN A 58 -0.526 -0.136 -14.899 1.00 0.00 C ATOM 853 C ASN A 58 -1.012 1.019 -15.770 1.00 0.00 C ATOM 854 O ASN A 58 -0.958 0.950 -16.997 1.00 0.00 O ATOM 855 CB ASN A 58 -1.721 -0.860 -14.278 1.00 0.00 C ATOM 856 CG ASN A 58 -1.414 -2.309 -13.951 1.00 0.00 C ATOM 857 OD1 ASN A 58 -0.372 -2.837 -14.342 1.00 0.00 O ATOM 858 ND2 ASN A 58 -2.322 -2.959 -13.233 1.00 0.00 N ATOM 0 H ASN A 58 0.121 0.049 -12.912 1.00 0.00 H new ATOM 0 HA ASN A 58 0.026 -0.835 -15.528 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -2.024 -0.341 -13.368 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -2.566 -0.817 -14.966 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -2.171 -3.936 -12.984 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.171 -2.481 -12.931 1.00 0.00 H new ATOM 865 N GLY A 59 -1.489 2.080 -15.125 1.00 0.00 N ATOM 866 CA GLY A 59 -1.978 3.234 -15.856 1.00 0.00 C ATOM 867 C GLY A 59 -3.490 3.337 -15.832 1.00 0.00 C ATOM 868 O GLY A 59 -4.104 3.762 -16.809 1.00 0.00 O ATOM 0 H GLY A 59 -1.545 2.160 -14.110 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.548 4.140 -15.428 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.637 3.177 -16.890 1.00 0.00 H new ATOM 872 N GLU A 60 -4.091 2.945 -14.713 1.00 0.00 N ATOM 873 CA GLU A 60 -5.541 2.994 -14.568 1.00 0.00 C ATOM 874 C GLU A 60 -5.976 4.284 -13.880 1.00 0.00 C ATOM 875 O GLU A 60 -5.196 4.913 -13.165 1.00 0.00 O ATOM 876 CB GLU A 60 -6.037 1.785 -13.770 1.00 0.00 C ATOM 877 CG GLU A 60 -6.025 0.488 -14.561 1.00 0.00 C ATOM 878 CD GLU A 60 -6.563 0.657 -15.968 1.00 0.00 C ATOM 879 OE1 GLU A 60 -7.770 0.946 -16.110 1.00 0.00 O ATOM 880 OE2 GLU A 60 -5.779 0.499 -16.927 1.00 0.00 O ATOM 0 H GLU A 60 -3.597 2.590 -13.894 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.981 2.968 -15.565 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.415 1.666 -12.883 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.052 1.980 -13.424 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.005 0.106 -14.610 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.620 -0.259 -14.036 1.00 0.00 H new ATOM 887 N ASP A 61 -7.227 4.673 -14.102 1.00 0.00 N ATOM 888 CA ASP A 61 -7.768 5.888 -13.504 1.00 0.00 C ATOM 889 C ASP A 61 -8.552 5.567 -12.236 1.00 0.00 C ATOM 890 O ASP A 61 -9.710 5.153 -12.298 1.00 0.00 O ATOM 891 CB ASP A 61 -8.666 6.618 -14.503 1.00 0.00 C ATOM 892 CG ASP A 61 -7.901 7.112 -15.716 1.00 0.00 C ATOM 893 OD1 ASP A 61 -6.998 6.387 -16.184 1.00 0.00 O ATOM 894 OD2 ASP A 61 -8.207 8.223 -16.198 1.00 0.00 O ATOM 0 H ASP A 61 -7.885 4.164 -14.692 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.932 6.536 -13.239 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.463 5.949 -14.827 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.142 7.464 -14.008 1.00 0.00 H new ATOM 899 N TYR A 62 -7.915 5.760 -11.087 1.00 0.00 N ATOM 900 CA TYR A 62 -8.552 5.488 -9.804 1.00 0.00 C ATOM 901 C TYR A 62 -9.754 6.402 -9.587 1.00 0.00 C ATOM 902 O TYR A 62 -9.713 7.588 -9.916 1.00 0.00 O ATOM 903 CB TYR A 62 -7.548 5.668 -8.664 1.00 0.00 C ATOM 904 CG TYR A 62 -8.178 6.131 -7.369 1.00 0.00 C ATOM 905 CD1 TYR A 62 -8.968 5.273 -6.613 1.00 0.00 C ATOM 906 CD2 TYR A 62 -7.985 7.425 -6.903 1.00 0.00 C ATOM 907 CE1 TYR A 62 -9.547 5.691 -5.431 1.00 0.00 C ATOM 908 CE2 TYR A 62 -8.559 7.851 -5.721 1.00 0.00 C ATOM 909 CZ TYR A 62 -9.339 6.981 -4.988 1.00 0.00 C ATOM 910 OH TYR A 62 -9.913 7.402 -3.811 1.00 0.00 O ATOM 0 H TYR A 62 -6.957 6.104 -11.018 1.00 0.00 H new ATOM 0 HA TYR A 62 -8.901 4.455 -9.813 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -7.035 4.722 -8.491 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -6.791 6.391 -8.969 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -9.132 4.262 -6.956 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -7.376 8.110 -7.474 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.159 5.012 -4.856 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -8.398 8.860 -5.372 1.00 0.00 H new ATOM 0 HH TYR A 62 -9.667 8.335 -3.642 1.00 0.00 H new ATOM 920 N ILE A 63 -10.823 5.842 -9.032 1.00 0.00 N ATOM 921 CA ILE A 63 -12.036 6.606 -8.769 1.00 0.00 C ATOM 922 C ILE A 63 -12.567 6.329 -7.367 1.00 0.00 C ATOM 923 O ILE A 63 -13.311 5.372 -7.150 1.00 0.00 O ATOM 924 CB ILE A 63 -13.137 6.283 -9.796 1.00 0.00 C ATOM 925 CG1 ILE A 63 -12.614 6.487 -11.219 1.00 0.00 C ATOM 926 CG2 ILE A 63 -14.363 7.149 -9.548 1.00 0.00 C ATOM 927 CD1 ILE A 63 -12.323 7.933 -11.555 1.00 0.00 C ATOM 0 H ILE A 63 -10.874 4.861 -8.756 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.770 7.660 -8.852 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.425 5.238 -9.681 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -11.704 5.902 -11.350 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -13.347 6.099 -11.926 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -15.132 6.909 -10.282 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -14.746 6.959 -8.545 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -14.090 8.200 -9.639 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -11.956 8.002 -12.579 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -13.236 8.520 -11.457 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -11.567 8.320 -10.872 1.00 0.00 H new ATOM 939 N CYS A 64 -12.182 7.175 -6.417 1.00 0.00 N ATOM 940 CA CYS A 64 -12.620 7.023 -5.035 1.00 0.00 C ATOM 941 C CYS A 64 -14.099 6.651 -4.970 1.00 0.00 C ATOM 942 O CYS A 64 -14.871 6.913 -5.892 1.00 0.00 O ATOM 943 CB CYS A 64 -12.374 8.317 -4.255 1.00 0.00 C ATOM 944 SG CYS A 64 -13.787 9.467 -4.257 1.00 0.00 S ATOM 0 H CYS A 64 -11.568 7.973 -6.579 1.00 0.00 H new ATOM 0 HA CYS A 64 -12.041 6.218 -4.583 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -12.126 8.065 -3.224 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -11.506 8.824 -4.677 1.00 0.00 H new ATOM 949 N PRO A 65 -14.503 6.026 -3.854 1.00 0.00 N ATOM 950 CA PRO A 65 -15.891 5.605 -3.642 1.00 0.00 C ATOM 951 C PRO A 65 -16.831 6.789 -3.437 1.00 0.00 C ATOM 952 O PRO A 65 -17.848 6.911 -4.118 1.00 0.00 O ATOM 953 CB PRO A 65 -15.814 4.757 -2.370 1.00 0.00 C ATOM 954 CG PRO A 65 -14.612 5.264 -1.649 1.00 0.00 C ATOM 955 CD PRO A 65 -13.637 5.682 -2.714 1.00 0.00 C ATOM 0 HA PRO A 65 -16.291 5.070 -4.504 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.714 4.867 -1.765 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.717 3.697 -2.606 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.869 6.104 -1.004 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.185 4.491 -1.010 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.035 6.533 -2.396 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -12.945 4.877 -2.963 1.00 0.00 H new ATOM 963 N ASN A 66 -16.482 7.658 -2.494 1.00 0.00 N ATOM 964 CA ASN A 66 -17.296 8.833 -2.199 1.00 0.00 C ATOM 965 C ASN A 66 -17.824 9.465 -3.483 1.00 0.00 C ATOM 966 O ASN A 66 -18.900 10.062 -3.497 1.00 0.00 O ATOM 967 CB ASN A 66 -16.480 9.859 -1.410 1.00 0.00 C ATOM 968 CG ASN A 66 -17.346 10.951 -0.814 1.00 0.00 C ATOM 969 OD1 ASN A 66 -17.975 10.760 0.227 1.00 0.00 O ATOM 970 ND2 ASN A 66 -17.382 12.104 -1.472 1.00 0.00 N ATOM 0 H ASN A 66 -15.642 7.572 -1.921 1.00 0.00 H new ATOM 0 HA ASN A 66 -18.146 8.514 -1.596 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -15.938 9.352 -0.611 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.734 10.308 -2.066 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.947 12.876 -1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -16.844 12.218 -2.331 1.00 0.00 H new ATOM 977 N CYS A 67 -17.059 9.328 -4.561 1.00 0.00 N ATOM 978 CA CYS A 67 -17.448 9.885 -5.851 1.00 0.00 C ATOM 979 C CYS A 67 -18.571 9.066 -6.481 1.00 0.00 C ATOM 980 O CYS A 67 -19.707 9.529 -6.591 1.00 0.00 O ATOM 981 CB CYS A 67 -16.245 9.931 -6.795 1.00 0.00 C ATOM 982 SG CYS A 67 -15.236 11.440 -6.641 1.00 0.00 S ATOM 0 H CYS A 67 -16.166 8.836 -4.567 1.00 0.00 H new ATOM 0 HA CYS A 67 -17.810 10.900 -5.685 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -15.613 9.063 -6.604 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -16.599 9.847 -7.822 1.00 0.00 H new ATOM 987 N THR A 68 -18.246 7.844 -6.892 1.00 0.00 N ATOM 988 CA THR A 68 -19.226 6.960 -7.511 1.00 0.00 C ATOM 989 C THR A 68 -20.470 6.823 -6.641 1.00 0.00 C ATOM 990 O THR A 68 -21.595 6.879 -7.138 1.00 0.00 O ATOM 991 CB THR A 68 -18.636 5.560 -7.767 1.00 0.00 C ATOM 992 OG1 THR A 68 -17.420 5.670 -8.516 1.00 0.00 O ATOM 993 CG2 THR A 68 -19.626 4.686 -8.523 1.00 0.00 C ATOM 0 H THR A 68 -17.312 7.444 -6.807 1.00 0.00 H new ATOM 0 HA THR A 68 -19.501 7.411 -8.465 1.00 0.00 H new ATOM 0 HB THR A 68 -18.428 5.096 -6.803 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.050 4.776 -8.673 1.00 0.00 H new ATOM 0 HG21 THR A 68 -19.188 3.703 -8.692 1.00 0.00 H new ATOM 0 HG22 THR A 68 -20.539 4.580 -7.937 1.00 0.00 H new ATOM 0 HG23 THR A 68 -19.861 5.148 -9.482 1.00 0.00 H new ATOM 1001 N ILE A 69 -20.260 6.644 -5.341 1.00 0.00 N ATOM 1002 CA ILE A 69 -21.366 6.501 -4.402 1.00 0.00 C ATOM 1003 C ILE A 69 -22.494 7.475 -4.729 1.00 0.00 C ATOM 1004 O ILE A 69 -23.673 7.147 -4.587 1.00 0.00 O ATOM 1005 CB ILE A 69 -20.906 6.735 -2.951 1.00 0.00 C ATOM 1006 CG1 ILE A 69 -19.947 5.626 -2.513 1.00 0.00 C ATOM 1007 CG2 ILE A 69 -22.107 6.802 -2.019 1.00 0.00 C ATOM 1008 CD1 ILE A 69 -19.153 5.970 -1.271 1.00 0.00 C ATOM 0 H ILE A 69 -19.335 6.595 -4.914 1.00 0.00 H new ATOM 0 HA ILE A 69 -21.732 5.479 -4.498 1.00 0.00 H new ATOM 0 HB ILE A 69 -20.378 7.688 -2.901 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -20.517 4.715 -2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.256 5.411 -3.328 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -21.766 6.968 -0.997 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -22.757 7.623 -2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -22.659 5.864 -2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -18.494 5.139 -1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -18.556 6.863 -1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -19.836 6.156 -0.442 1.00 0.00 H new ATOM 1020 N LEU A 70 -22.125 8.673 -5.168 1.00 0.00 N ATOM 1021 CA LEU A 70 -23.105 9.695 -5.518 1.00 0.00 C ATOM 1022 C LEU A 70 -23.943 9.259 -6.716 1.00 0.00 C ATOM 1023 O LEU A 70 -25.167 9.163 -6.628 1.00 0.00 O ATOM 1024 CB LEU A 70 -22.404 11.019 -5.826 1.00 0.00 C ATOM 1025 CG LEU A 70 -21.569 11.616 -4.693 1.00 0.00 C ATOM 1026 CD1 LEU A 70 -20.403 12.415 -5.252 1.00 0.00 C ATOM 1027 CD2 LEU A 70 -22.434 12.488 -3.795 1.00 0.00 C ATOM 0 H LEU A 70 -21.154 8.961 -5.290 1.00 0.00 H new ATOM 0 HA LEU A 70 -23.769 9.833 -4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -21.755 10.871 -6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -23.160 11.748 -6.116 1.00 0.00 H new ATOM 0 HG LEU A 70 -21.168 10.798 -4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -19.821 12.832 -4.430 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -19.769 11.762 -5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -20.782 13.225 -5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -21.823 12.904 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -22.865 13.299 -4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -23.234 11.886 -3.365 1.00 0.00 H new ATOM 1039 N SER A 71 -23.274 8.995 -7.834 1.00 0.00 N ATOM 1040 CA SER A 71 -23.957 8.571 -9.051 1.00 0.00 C ATOM 1041 C SER A 71 -23.199 7.434 -9.730 1.00 0.00 C ATOM 1042 O SER A 71 -21.988 7.294 -9.566 1.00 0.00 O ATOM 1043 CB SER A 71 -24.104 9.749 -10.015 1.00 0.00 C ATOM 1044 OG SER A 71 -22.839 10.194 -10.474 1.00 0.00 O ATOM 0 H SER A 71 -22.260 9.067 -7.922 1.00 0.00 H new ATOM 0 HA SER A 71 -24.948 8.211 -8.776 1.00 0.00 H new ATOM 0 HB2 SER A 71 -24.719 9.453 -10.865 1.00 0.00 H new ATOM 0 HB3 SER A 71 -24.622 10.568 -9.517 1.00 0.00 H new ATOM 0 HG SER A 71 -22.961 10.946 -11.090 1.00 0.00 H new ATOM 1050 N GLY A 72 -23.924 6.623 -10.496 1.00 0.00 N ATOM 1051 CA GLY A 72 -23.304 5.509 -11.189 1.00 0.00 C ATOM 1052 C GLY A 72 -22.296 5.960 -12.227 1.00 0.00 C ATOM 1053 O GLY A 72 -21.739 7.055 -12.148 1.00 0.00 O ATOM 0 H GLY A 72 -24.928 6.718 -10.648 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -22.809 4.864 -10.463 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -24.076 4.911 -11.673 1.00 0.00 H new ATOM 1057 N PRO A 73 -22.046 5.102 -13.227 1.00 0.00 N ATOM 1058 CA PRO A 73 -21.095 5.396 -14.303 1.00 0.00 C ATOM 1059 C PRO A 73 -21.597 6.491 -15.238 1.00 0.00 C ATOM 1060 O PRO A 73 -22.751 6.911 -15.153 1.00 0.00 O ATOM 1061 CB PRO A 73 -20.983 4.065 -15.051 1.00 0.00 C ATOM 1062 CG PRO A 73 -22.268 3.364 -14.772 1.00 0.00 C ATOM 1063 CD PRO A 73 -22.673 3.779 -13.385 1.00 0.00 C ATOM 0 HA PRO A 73 -20.145 5.765 -13.917 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -20.842 4.223 -16.120 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -20.131 3.484 -14.699 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -23.030 3.641 -15.500 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -22.145 2.283 -14.836 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -23.757 3.833 -13.282 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -22.317 3.073 -12.634 1.00 0.00 H new ATOM 1071 N SER A 74 -20.723 6.950 -16.128 1.00 0.00 N ATOM 1072 CA SER A 74 -21.078 7.999 -17.077 1.00 0.00 C ATOM 1073 C SER A 74 -22.377 7.660 -17.801 1.00 0.00 C ATOM 1074 O SER A 74 -22.938 6.580 -17.619 1.00 0.00 O ATOM 1075 CB SER A 74 -19.951 8.199 -18.092 1.00 0.00 C ATOM 1076 OG SER A 74 -19.682 7.001 -18.798 1.00 0.00 O ATOM 0 H SER A 74 -19.764 6.612 -16.212 1.00 0.00 H new ATOM 0 HA SER A 74 -21.225 8.925 -16.520 1.00 0.00 H new ATOM 0 HB2 SER A 74 -20.226 8.985 -18.795 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.049 8.532 -17.578 1.00 0.00 H new ATOM 0 HG SER A 74 -18.959 7.156 -19.442 1.00 0.00 H new ATOM 1082 N SER A 75 -22.849 8.592 -18.623 1.00 0.00 N ATOM 1083 CA SER A 75 -24.084 8.395 -19.373 1.00 0.00 C ATOM 1084 C SER A 75 -25.257 8.143 -18.430 1.00 0.00 C ATOM 1085 O SER A 75 -26.077 7.256 -18.665 1.00 0.00 O ATOM 1086 CB SER A 75 -23.935 7.223 -20.344 1.00 0.00 C ATOM 1087 OG SER A 75 -23.351 7.644 -21.565 1.00 0.00 O ATOM 0 H SER A 75 -22.395 9.491 -18.786 1.00 0.00 H new ATOM 0 HA SER A 75 -24.284 9.304 -19.940 1.00 0.00 H new ATOM 0 HB2 SER A 75 -23.318 6.447 -19.891 1.00 0.00 H new ATOM 0 HB3 SER A 75 -24.912 6.781 -20.538 1.00 0.00 H new ATOM 0 HG SER A 75 -23.265 6.876 -22.168 1.00 0.00 H new ATOM 1093 N GLY A 76 -25.330 8.930 -17.362 1.00 0.00 N ATOM 1094 CA GLY A 76 -26.406 8.777 -16.399 1.00 0.00 C ATOM 1095 C GLY A 76 -26.735 7.323 -16.124 1.00 0.00 C ATOM 1096 O GLY A 76 -26.103 6.720 -15.258 1.00 0.00 O ATOM 0 H GLY A 76 -24.664 9.671 -17.146 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -26.127 9.266 -15.466 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -27.297 9.284 -16.770 1.00 0.00 H new TER 1100 GLY A 76 HETATM 1101 ZN ZN A 201 -8.915 9.038 5.761 1.00 0.00 ZN HETATM 1102 ZN ZN A 401 -13.097 11.094 -5.786 1.00 0.00 ZN