USER MOD reduce.3.24.130724 H: found=0, std=0, add=582, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 579 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 59 ASN : amide:sc= -0.0455 K(o=-0.53,f=-2.1!) USER MOD Set 1.2: A 62 THR OG1 : rot -159:sc= -0.482 USER MOD Set 1.3: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0151 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0298 USER MOD Single : A 15 CYS SG : rot 36:sc= 0.00827 USER MOD Single : A 17 LYS NZ :NH3+ 166:sc= -0.0268 (180deg=-0.228) USER MOD Single : A 19 GLN : amide:sc= -0.139 K(o=-0.14,f=-2.1!) USER MOD Single : A 24 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.5!) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.348 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 151:sc=-0.00229 (180deg=-0.905) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -3.22 K(o=-3.2,f=-6.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.564 K(o=-0.56,f=-2.5!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= -0.342 USER MOD Single : A 60 GLN : amide:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 65 CYS SG : rot 180:sc= -0.0759 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 74 SER OG : rot 180:sc= -0.157 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= -0.0204 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.794 3.173 1.421 1.00 0.00 N ATOM 2 CA GLY A 1 0.267 2.602 2.647 1.00 0.00 C ATOM 3 C GLY A 1 1.074 2.999 3.866 1.00 0.00 C ATOM 4 O GLY A 1 1.662 2.149 4.534 1.00 0.00 O ATOM 0 H1 GLY A 1 0.207 2.871 0.617 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.782 4.211 1.488 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.771 2.846 1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.766 2.923 2.779 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.254 1.515 2.562 1.00 0.00 H new ATOM 8 N SER A 2 1.105 4.296 4.156 1.00 0.00 N ATOM 9 CA SER A 2 1.852 4.806 5.301 1.00 0.00 C ATOM 10 C SER A 2 3.317 4.389 5.222 1.00 0.00 C ATOM 11 O SER A 2 3.962 4.150 6.243 1.00 0.00 O ATOM 12 CB SER A 2 1.235 4.298 6.605 1.00 0.00 C ATOM 13 OG SER A 2 1.504 5.187 7.676 1.00 0.00 O ATOM 0 H SER A 2 0.622 5.013 3.614 1.00 0.00 H new ATOM 0 HA SER A 2 1.801 5.895 5.283 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.158 4.187 6.482 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.633 3.311 6.839 1.00 0.00 H new ATOM 0 HG SER A 2 1.098 4.841 8.498 1.00 0.00 H new ATOM 19 N SER A 3 3.838 4.305 4.002 1.00 0.00 N ATOM 20 CA SER A 3 5.226 3.914 3.788 1.00 0.00 C ATOM 21 C SER A 3 6.132 5.140 3.720 1.00 0.00 C ATOM 22 O SER A 3 7.297 5.087 4.110 1.00 0.00 O ATOM 23 CB SER A 3 5.356 3.098 2.500 1.00 0.00 C ATOM 24 OG SER A 3 4.838 3.811 1.391 1.00 0.00 O ATOM 0 H SER A 3 3.319 4.503 3.146 1.00 0.00 H new ATOM 0 HA SER A 3 5.538 3.299 4.632 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.404 2.856 2.323 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.824 2.153 2.609 1.00 0.00 H new ATOM 0 HG SER A 3 4.934 3.269 0.580 1.00 0.00 H new ATOM 30 N GLY A 4 5.585 6.244 3.221 1.00 0.00 N ATOM 31 CA GLY A 4 6.356 7.469 3.111 1.00 0.00 C ATOM 32 C GLY A 4 5.590 8.683 3.596 1.00 0.00 C ATOM 33 O GLY A 4 4.632 9.117 2.957 1.00 0.00 O ATOM 0 H GLY A 4 4.622 6.312 2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.275 7.369 3.688 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.647 7.619 2.071 1.00 0.00 H new ATOM 37 N SER A 5 6.011 9.231 4.732 1.00 0.00 N ATOM 38 CA SER A 5 5.353 10.399 5.306 1.00 0.00 C ATOM 39 C SER A 5 6.363 11.509 5.585 1.00 0.00 C ATOM 40 O SER A 5 7.550 11.247 5.783 1.00 0.00 O ATOM 41 CB SER A 5 4.627 10.019 6.598 1.00 0.00 C ATOM 42 OG SER A 5 4.089 11.163 7.237 1.00 0.00 O ATOM 0 H SER A 5 6.804 8.885 5.272 1.00 0.00 H new ATOM 0 HA SER A 5 4.625 10.767 4.583 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.827 9.313 6.375 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.319 9.514 7.272 1.00 0.00 H new ATOM 0 HG SER A 5 3.629 10.893 8.059 1.00 0.00 H new ATOM 48 N SER A 6 5.883 12.748 5.598 1.00 0.00 N ATOM 49 CA SER A 6 6.743 13.898 5.848 1.00 0.00 C ATOM 50 C SER A 6 6.204 14.739 7.001 1.00 0.00 C ATOM 51 O SER A 6 6.295 15.966 6.986 1.00 0.00 O ATOM 52 CB SER A 6 6.861 14.757 4.588 1.00 0.00 C ATOM 53 OG SER A 6 6.863 13.953 3.421 1.00 0.00 O ATOM 0 H SER A 6 4.903 12.981 5.438 1.00 0.00 H new ATOM 0 HA SER A 6 7.731 13.528 6.121 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.031 15.462 4.546 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.778 15.345 4.630 1.00 0.00 H new ATOM 0 HG SER A 6 6.938 14.526 2.629 1.00 0.00 H new ATOM 59 N GLY A 7 5.641 14.068 8.002 1.00 0.00 N ATOM 60 CA GLY A 7 5.094 14.768 9.150 1.00 0.00 C ATOM 61 C GLY A 7 5.892 14.519 10.414 1.00 0.00 C ATOM 62 O GLY A 7 6.896 13.805 10.394 1.00 0.00 O ATOM 0 H GLY A 7 5.554 13.052 8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.072 15.838 8.943 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.063 14.452 9.307 1.00 0.00 H new ATOM 66 N LEU A 8 5.447 15.109 11.518 1.00 0.00 N ATOM 67 CA LEU A 8 6.127 14.949 12.799 1.00 0.00 C ATOM 68 C LEU A 8 5.796 13.599 13.426 1.00 0.00 C ATOM 69 O LEU A 8 4.655 13.140 13.369 1.00 0.00 O ATOM 70 CB LEU A 8 5.734 16.078 13.753 1.00 0.00 C ATOM 71 CG LEU A 8 5.960 17.500 13.239 1.00 0.00 C ATOM 72 CD1 LEU A 8 5.026 18.476 13.938 1.00 0.00 C ATOM 73 CD2 LEU A 8 7.411 17.914 13.437 1.00 0.00 C ATOM 0 H LEU A 8 4.618 15.703 11.552 1.00 0.00 H new ATOM 0 HA LEU A 8 7.201 14.992 12.620 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.678 15.966 14.001 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.294 15.955 14.680 1.00 0.00 H new ATOM 0 HG LEU A 8 5.739 17.519 12.172 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.202 19.483 13.559 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.992 18.191 13.745 1.00 0.00 H new ATOM 0 HD13 LEU A 8 5.214 18.455 15.011 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.554 18.929 13.066 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.658 17.878 14.498 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.062 17.232 12.889 1.00 0.00 H new ATOM 85 N ARG A 9 6.800 12.969 14.027 1.00 0.00 N ATOM 86 CA ARG A 9 6.615 11.672 14.666 1.00 0.00 C ATOM 87 C ARG A 9 7.200 11.672 16.076 1.00 0.00 C ATOM 88 O ARG A 9 8.148 12.402 16.365 1.00 0.00 O ATOM 89 CB ARG A 9 7.269 10.570 13.831 1.00 0.00 C ATOM 90 CG ARG A 9 6.512 10.241 12.555 1.00 0.00 C ATOM 91 CD ARG A 9 5.143 9.651 12.856 1.00 0.00 C ATOM 92 NE ARG A 9 4.502 9.117 11.657 1.00 0.00 N ATOM 93 CZ ARG A 9 3.257 8.654 11.634 1.00 0.00 C ATOM 94 NH1 ARG A 9 2.523 8.661 12.738 1.00 0.00 N ATOM 95 NH2 ARG A 9 2.744 8.184 10.504 1.00 0.00 N ATOM 0 H ARG A 9 7.750 13.336 14.085 1.00 0.00 H new ATOM 0 HA ARG A 9 5.545 11.479 14.735 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.283 10.875 13.573 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.352 9.668 14.437 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.396 11.144 11.956 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.091 9.535 11.959 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.245 8.858 13.597 1.00 0.00 H new ATOM 0 HD3 ARG A 9 4.506 10.418 13.296 1.00 0.00 H new ATOM 0 HE ARG A 9 5.039 9.099 10.790 1.00 0.00 H new ATOM 0 HH11 ARG A 9 2.914 9.023 13.608 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.567 8.305 12.717 1.00 0.00 H new ATOM 0 HH21 ARG A 9 3.306 8.178 9.653 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.788 7.829 10.487 1.00 0.00 H new ATOM 109 N ARG A 10 6.628 10.849 16.948 1.00 0.00 N ATOM 110 CA ARG A 10 7.091 10.756 18.328 1.00 0.00 C ATOM 111 C ARG A 10 7.622 9.357 18.629 1.00 0.00 C ATOM 112 O ARG A 10 7.023 8.357 18.235 1.00 0.00 O ATOM 113 CB ARG A 10 5.956 11.102 19.294 1.00 0.00 C ATOM 114 CG ARG A 10 5.684 12.593 19.404 1.00 0.00 C ATOM 115 CD ARG A 10 4.244 12.868 19.809 1.00 0.00 C ATOM 116 NE ARG A 10 3.799 14.192 19.384 1.00 0.00 N ATOM 117 CZ ARG A 10 2.687 14.770 19.824 1.00 0.00 C ATOM 118 NH1 ARG A 10 1.910 14.143 20.697 1.00 0.00 N ATOM 119 NH2 ARG A 10 2.349 15.978 19.391 1.00 0.00 N ATOM 0 H ARG A 10 5.843 10.237 16.724 1.00 0.00 H new ATOM 0 HA ARG A 10 7.903 11.471 18.462 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.046 10.598 18.968 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.199 10.712 20.282 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.360 13.034 20.137 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.892 13.074 18.448 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.594 12.110 19.373 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.150 12.784 20.892 1.00 0.00 H new ATOM 0 HE ARG A 10 4.374 14.701 18.712 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.166 13.214 21.032 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.057 14.590 21.033 1.00 0.00 H new ATOM 0 HH21 ARG A 10 2.943 16.464 18.719 1.00 0.00 H new ATOM 0 HH22 ARG A 10 1.495 16.421 19.730 1.00 0.00 H new ATOM 133 N ALA A 11 8.749 9.296 19.331 1.00 0.00 N ATOM 134 CA ALA A 11 9.359 8.021 19.687 1.00 0.00 C ATOM 135 C ALA A 11 10.324 8.182 20.856 1.00 0.00 C ATOM 136 O ALA A 11 10.922 9.243 21.041 1.00 0.00 O ATOM 137 CB ALA A 11 10.078 7.427 18.485 1.00 0.00 C ATOM 0 H ALA A 11 9.258 10.115 19.664 1.00 0.00 H new ATOM 0 HA ALA A 11 8.566 7.340 19.996 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.529 6.475 18.765 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.364 7.267 17.677 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.856 8.113 18.151 1.00 0.00 H new ATOM 143 N THR A 12 10.472 7.123 21.646 1.00 0.00 N ATOM 144 CA THR A 12 11.363 7.147 22.799 1.00 0.00 C ATOM 145 C THR A 12 12.731 6.572 22.449 1.00 0.00 C ATOM 146 O THR A 12 12.837 5.631 21.662 1.00 0.00 O ATOM 147 CB THR A 12 10.773 6.357 23.982 1.00 0.00 C ATOM 148 OG1 THR A 12 10.023 5.237 23.497 1.00 0.00 O ATOM 149 CG2 THR A 12 9.877 7.244 24.832 1.00 0.00 C ATOM 0 H THR A 12 9.986 6.237 21.508 1.00 0.00 H new ATOM 0 HA THR A 12 11.475 8.191 23.090 1.00 0.00 H new ATOM 0 HB THR A 12 11.597 6.002 24.601 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.652 4.739 24.255 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.472 6.664 25.661 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.458 8.079 25.223 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.058 7.625 24.222 1.00 0.00 H new ATOM 157 N VAL A 13 13.776 7.142 23.040 1.00 0.00 N ATOM 158 CA VAL A 13 15.138 6.683 22.792 1.00 0.00 C ATOM 159 C VAL A 13 15.456 5.436 23.609 1.00 0.00 C ATOM 160 O VAL A 13 14.927 5.250 24.705 1.00 0.00 O ATOM 161 CB VAL A 13 16.168 7.779 23.125 1.00 0.00 C ATOM 162 CG1 VAL A 13 17.563 7.349 22.695 1.00 0.00 C ATOM 163 CG2 VAL A 13 15.779 9.093 22.466 1.00 0.00 C ATOM 0 H VAL A 13 13.706 7.922 23.694 1.00 0.00 H new ATOM 0 HA VAL A 13 15.203 6.443 21.731 1.00 0.00 H new ATOM 0 HB VAL A 13 16.177 7.929 24.205 1.00 0.00 H new ATOM 0 HG11 VAL A 13 18.277 8.136 22.938 1.00 0.00 H new ATOM 0 HG12 VAL A 13 17.839 6.434 23.218 1.00 0.00 H new ATOM 0 HG13 VAL A 13 17.573 7.169 21.620 1.00 0.00 H new ATOM 0 HG21 VAL A 13 16.518 9.856 22.712 1.00 0.00 H new ATOM 0 HG22 VAL A 13 15.740 8.960 21.385 1.00 0.00 H new ATOM 0 HG23 VAL A 13 14.800 9.406 22.828 1.00 0.00 H new ATOM 173 N GLU A 14 16.323 4.586 23.069 1.00 0.00 N ATOM 174 CA GLU A 14 16.711 3.356 23.750 1.00 0.00 C ATOM 175 C GLU A 14 17.818 3.622 24.766 1.00 0.00 C ATOM 176 O GLU A 14 17.645 3.389 25.963 1.00 0.00 O ATOM 177 CB GLU A 14 17.176 2.310 22.734 1.00 0.00 C ATOM 178 CG GLU A 14 17.209 0.896 23.289 1.00 0.00 C ATOM 179 CD GLU A 14 18.025 -0.049 22.428 1.00 0.00 C ATOM 180 OE1 GLU A 14 17.529 -0.448 21.353 1.00 0.00 O ATOM 181 OE2 GLU A 14 19.157 -0.390 22.829 1.00 0.00 O ATOM 0 H GLU A 14 16.770 4.726 22.163 1.00 0.00 H new ATOM 0 HA GLU A 14 15.839 2.974 24.281 1.00 0.00 H new ATOM 0 HB2 GLU A 14 16.514 2.336 21.869 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.172 2.576 22.381 1.00 0.00 H new ATOM 0 HG2 GLU A 14 17.625 0.915 24.296 1.00 0.00 H new ATOM 0 HG3 GLU A 14 16.190 0.518 23.372 1.00 0.00 H new ATOM 188 N CYS A 15 18.954 4.111 24.280 1.00 0.00 N ATOM 189 CA CYS A 15 20.090 4.408 25.145 1.00 0.00 C ATOM 190 C CYS A 15 20.938 5.533 24.561 1.00 0.00 C ATOM 191 O CYS A 15 21.362 5.470 23.407 1.00 0.00 O ATOM 192 CB CYS A 15 20.947 3.157 25.343 1.00 0.00 C ATOM 193 SG CYS A 15 21.418 2.334 23.804 1.00 0.00 S ATOM 0 H CYS A 15 19.112 4.310 23.292 1.00 0.00 H new ATOM 0 HA CYS A 15 19.705 4.732 26.112 1.00 0.00 H new ATOM 0 HB2 CYS A 15 21.851 3.431 25.887 1.00 0.00 H new ATOM 0 HB3 CYS A 15 20.401 2.450 25.968 1.00 0.00 H new ATOM 0 HG CYS A 15 21.625 3.226 22.881 1.00 0.00 H new ATOM 199 N VAL A 16 21.180 6.563 25.366 1.00 0.00 N ATOM 200 CA VAL A 16 21.977 7.703 24.929 1.00 0.00 C ATOM 201 C VAL A 16 23.263 7.818 25.740 1.00 0.00 C ATOM 202 O VAL A 16 23.363 8.634 26.656 1.00 0.00 O ATOM 203 CB VAL A 16 21.188 9.020 25.052 1.00 0.00 C ATOM 204 CG1 VAL A 16 21.977 10.174 24.453 1.00 0.00 C ATOM 205 CG2 VAL A 16 19.827 8.890 24.384 1.00 0.00 C ATOM 0 H VAL A 16 20.836 6.631 26.324 1.00 0.00 H new ATOM 0 HA VAL A 16 22.225 7.532 23.881 1.00 0.00 H new ATOM 0 HB VAL A 16 21.030 9.231 26.110 1.00 0.00 H new ATOM 0 HG11 VAL A 16 21.403 11.096 24.549 1.00 0.00 H new ATOM 0 HG12 VAL A 16 22.925 10.280 24.981 1.00 0.00 H new ATOM 0 HG13 VAL A 16 22.169 9.975 23.399 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.283 9.830 24.480 1.00 0.00 H new ATOM 0 HG22 VAL A 16 19.961 8.655 23.328 1.00 0.00 H new ATOM 0 HG23 VAL A 16 19.261 8.092 24.864 1.00 0.00 H new ATOM 215 N LYS A 17 24.247 6.993 25.397 1.00 0.00 N ATOM 216 CA LYS A 17 25.530 7.001 26.090 1.00 0.00 C ATOM 217 C LYS A 17 26.553 7.842 25.333 1.00 0.00 C ATOM 218 O LYS A 17 27.208 8.709 25.911 1.00 0.00 O ATOM 219 CB LYS A 17 26.052 5.572 26.257 1.00 0.00 C ATOM 220 CG LYS A 17 26.908 5.378 27.497 1.00 0.00 C ATOM 221 CD LYS A 17 28.330 5.865 27.274 1.00 0.00 C ATOM 222 CE LYS A 17 29.186 5.673 28.516 1.00 0.00 C ATOM 223 NZ LYS A 17 29.294 4.238 28.899 1.00 0.00 N ATOM 0 H LYS A 17 24.180 6.310 24.643 1.00 0.00 H new ATOM 0 HA LYS A 17 25.379 7.444 27.075 1.00 0.00 H new ATOM 0 HB2 LYS A 17 25.205 4.887 26.300 1.00 0.00 H new ATOM 0 HB3 LYS A 17 26.636 5.302 25.377 1.00 0.00 H new ATOM 0 HG2 LYS A 17 26.465 5.917 28.334 1.00 0.00 H new ATOM 0 HG3 LYS A 17 26.922 4.323 27.769 1.00 0.00 H new ATOM 0 HD2 LYS A 17 28.774 5.325 26.438 1.00 0.00 H new ATOM 0 HD3 LYS A 17 28.316 6.920 27.000 1.00 0.00 H new ATOM 0 HE2 LYS A 17 30.182 6.077 28.336 1.00 0.00 H new ATOM 0 HE3 LYS A 17 28.757 6.238 29.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 30.061 4.120 29.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 28.397 3.923 29.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 29.499 3.668 28.054 1.00 0.00 H new ATOM 237 N ASP A 18 26.683 7.581 24.037 1.00 0.00 N ATOM 238 CA ASP A 18 27.625 8.315 23.200 1.00 0.00 C ATOM 239 C ASP A 18 26.934 9.481 22.499 1.00 0.00 C ATOM 240 O ASP A 18 25.712 9.617 22.560 1.00 0.00 O ATOM 241 CB ASP A 18 28.255 7.383 22.165 1.00 0.00 C ATOM 242 CG ASP A 18 29.063 6.270 22.804 1.00 0.00 C ATOM 243 OD1 ASP A 18 28.449 5.323 23.340 1.00 0.00 O ATOM 244 OD2 ASP A 18 30.309 6.346 22.768 1.00 0.00 O ATOM 0 H ASP A 18 26.148 6.867 23.543 1.00 0.00 H new ATOM 0 HA ASP A 18 28.410 8.714 23.843 1.00 0.00 H new ATOM 0 HB2 ASP A 18 27.470 6.949 21.546 1.00 0.00 H new ATOM 0 HB3 ASP A 18 28.899 7.962 21.503 1.00 0.00 H new ATOM 249 N GLN A 19 27.724 10.318 21.835 1.00 0.00 N ATOM 250 CA GLN A 19 27.187 11.472 21.124 1.00 0.00 C ATOM 251 C GLN A 19 26.060 11.057 20.184 1.00 0.00 C ATOM 252 O GLN A 19 25.140 11.832 19.922 1.00 0.00 O ATOM 253 CB GLN A 19 28.295 12.171 20.333 1.00 0.00 C ATOM 254 CG GLN A 19 29.000 11.261 19.341 1.00 0.00 C ATOM 255 CD GLN A 19 30.448 11.652 19.118 1.00 0.00 C ATOM 256 OE1 GLN A 19 30.949 12.597 19.728 1.00 0.00 O ATOM 257 NE2 GLN A 19 31.129 10.925 18.240 1.00 0.00 N ATOM 0 H GLN A 19 28.737 10.219 21.774 1.00 0.00 H new ATOM 0 HA GLN A 19 26.783 12.165 21.862 1.00 0.00 H new ATOM 0 HB2 GLN A 19 27.868 13.018 19.796 1.00 0.00 H new ATOM 0 HB3 GLN A 19 29.030 12.573 21.030 1.00 0.00 H new ATOM 0 HG2 GLN A 19 28.956 10.233 19.702 1.00 0.00 H new ATOM 0 HG3 GLN A 19 28.470 11.287 18.389 1.00 0.00 H new ATOM 0 HE21 GLN A 19 30.674 10.150 17.757 1.00 0.00 H new ATOM 0 HE22 GLN A 19 32.107 11.141 18.049 1.00 0.00 H new ATOM 266 N PHE A 20 26.138 9.830 19.680 1.00 0.00 N ATOM 267 CA PHE A 20 25.125 9.313 18.768 1.00 0.00 C ATOM 268 C PHE A 20 24.357 8.159 19.407 1.00 0.00 C ATOM 269 O PHE A 20 24.947 7.267 20.014 1.00 0.00 O ATOM 270 CB PHE A 20 25.774 8.847 17.462 1.00 0.00 C ATOM 271 CG PHE A 20 26.938 7.921 17.668 1.00 0.00 C ATOM 272 CD1 PHE A 20 26.736 6.561 17.841 1.00 0.00 C ATOM 273 CD2 PHE A 20 28.234 8.410 17.688 1.00 0.00 C ATOM 274 CE1 PHE A 20 27.805 5.707 18.032 1.00 0.00 C ATOM 275 CE2 PHE A 20 29.308 7.560 17.878 1.00 0.00 C ATOM 276 CZ PHE A 20 29.093 6.207 18.049 1.00 0.00 C ATOM 0 H PHE A 20 26.892 9.175 19.888 1.00 0.00 H new ATOM 0 HA PHE A 20 24.423 10.118 18.550 1.00 0.00 H new ATOM 0 HB2 PHE A 20 25.024 8.344 16.852 1.00 0.00 H new ATOM 0 HB3 PHE A 20 26.109 9.719 16.901 1.00 0.00 H new ATOM 0 HD1 PHE A 20 25.732 6.164 17.826 1.00 0.00 H new ATOM 0 HD2 PHE A 20 28.408 9.467 17.554 1.00 0.00 H new ATOM 0 HE1 PHE A 20 27.634 4.649 18.168 1.00 0.00 H new ATOM 0 HE2 PHE A 20 30.313 7.954 17.893 1.00 0.00 H new ATOM 0 HZ PHE A 20 29.930 5.541 18.196 1.00 0.00 H new ATOM 286 N GLY A 21 23.035 8.186 19.265 1.00 0.00 N ATOM 287 CA GLY A 21 22.207 7.139 19.833 1.00 0.00 C ATOM 288 C GLY A 21 21.217 6.575 18.833 1.00 0.00 C ATOM 289 O GLY A 21 21.250 6.923 17.652 1.00 0.00 O ATOM 0 H GLY A 21 22.523 8.914 18.767 1.00 0.00 H new ATOM 0 HA2 GLY A 21 22.845 6.335 20.201 1.00 0.00 H new ATOM 0 HA3 GLY A 21 21.665 7.535 20.692 1.00 0.00 H new ATOM 293 N PHE A 22 20.335 5.700 19.304 1.00 0.00 N ATOM 294 CA PHE A 22 19.334 5.084 18.442 1.00 0.00 C ATOM 295 C PHE A 22 17.937 5.235 19.037 1.00 0.00 C ATOM 296 O PHE A 22 17.742 5.063 20.241 1.00 0.00 O ATOM 297 CB PHE A 22 19.653 3.602 18.230 1.00 0.00 C ATOM 298 CG PHE A 22 20.864 3.367 17.374 1.00 0.00 C ATOM 299 CD1 PHE A 22 22.126 3.294 17.942 1.00 0.00 C ATOM 300 CD2 PHE A 22 20.741 3.217 16.002 1.00 0.00 C ATOM 301 CE1 PHE A 22 23.243 3.078 17.156 1.00 0.00 C ATOM 302 CE2 PHE A 22 21.854 3.000 15.212 1.00 0.00 C ATOM 303 CZ PHE A 22 23.106 2.930 15.789 1.00 0.00 C ATOM 0 H PHE A 22 20.293 5.402 20.278 1.00 0.00 H new ATOM 0 HA PHE A 22 19.357 5.594 17.479 1.00 0.00 H new ATOM 0 HB2 PHE A 22 19.806 3.129 19.200 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.793 3.115 17.770 1.00 0.00 H new ATOM 0 HD1 PHE A 22 22.238 3.407 19.010 1.00 0.00 H new ATOM 0 HD2 PHE A 22 19.764 3.270 15.545 1.00 0.00 H new ATOM 0 HE1 PHE A 22 24.221 3.025 17.610 1.00 0.00 H new ATOM 0 HE2 PHE A 22 21.744 2.885 14.144 1.00 0.00 H new ATOM 0 HZ PHE A 22 23.977 2.760 15.173 1.00 0.00 H new ATOM 313 N ILE A 23 16.969 5.557 18.186 1.00 0.00 N ATOM 314 CA ILE A 23 15.591 5.731 18.627 1.00 0.00 C ATOM 315 C ILE A 23 14.744 4.512 18.277 1.00 0.00 C ATOM 316 O ILE A 23 14.941 3.884 17.238 1.00 0.00 O ATOM 317 CB ILE A 23 14.952 6.983 17.998 1.00 0.00 C ATOM 318 CG1 ILE A 23 15.778 8.227 18.333 1.00 0.00 C ATOM 319 CG2 ILE A 23 13.519 7.146 18.482 1.00 0.00 C ATOM 320 CD1 ILE A 23 15.350 9.460 17.569 1.00 0.00 C ATOM 0 H ILE A 23 17.114 5.703 17.187 1.00 0.00 H new ATOM 0 HA ILE A 23 15.619 5.853 19.710 1.00 0.00 H new ATOM 0 HB ILE A 23 14.937 6.860 16.915 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.702 8.427 19.402 1.00 0.00 H new ATOM 0 HG13 ILE A 23 16.828 8.024 18.121 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.081 8.035 18.029 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.937 6.269 18.198 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.511 7.250 19.567 1.00 0.00 H new ATOM 0 HD11 ILE A 23 15.979 10.303 17.857 1.00 0.00 H new ATOM 0 HD12 ILE A 23 15.453 9.279 16.499 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.309 9.688 17.800 1.00 0.00 H new ATOM 332 N ASN A 24 13.799 4.183 19.152 1.00 0.00 N ATOM 333 CA ASN A 24 12.920 3.040 18.936 1.00 0.00 C ATOM 334 C ASN A 24 11.802 3.391 17.959 1.00 0.00 C ATOM 335 O ASN A 24 10.634 3.469 18.339 1.00 0.00 O ATOM 336 CB ASN A 24 12.324 2.569 20.264 1.00 0.00 C ATOM 337 CG ASN A 24 13.193 1.535 20.954 1.00 0.00 C ATOM 338 OD1 ASN A 24 13.845 0.721 20.300 1.00 0.00 O ATOM 339 ND2 ASN A 24 13.204 1.563 22.281 1.00 0.00 N ATOM 0 H ASN A 24 13.623 4.692 20.018 1.00 0.00 H new ATOM 0 HA ASN A 24 13.514 2.233 18.507 1.00 0.00 H new ATOM 0 HB2 ASN A 24 12.191 3.426 20.924 1.00 0.00 H new ATOM 0 HB3 ASN A 24 11.335 2.148 20.086 1.00 0.00 H new ATOM 0 HD21 ASN A 24 13.769 0.891 22.801 1.00 0.00 H new ATOM 0 HD22 ASN A 24 12.647 2.256 22.781 1.00 0.00 H new ATOM 346 N TYR A 25 12.168 3.599 16.699 1.00 0.00 N ATOM 347 CA TYR A 25 11.197 3.944 15.668 1.00 0.00 C ATOM 348 C TYR A 25 11.544 3.267 14.345 1.00 0.00 C ATOM 349 O TYR A 25 12.674 3.360 13.867 1.00 0.00 O ATOM 350 CB TYR A 25 11.138 5.460 15.478 1.00 0.00 C ATOM 351 CG TYR A 25 9.981 5.919 14.621 1.00 0.00 C ATOM 352 CD1 TYR A 25 8.699 6.024 15.147 1.00 0.00 C ATOM 353 CD2 TYR A 25 10.169 6.249 13.284 1.00 0.00 C ATOM 354 CE1 TYR A 25 7.639 6.442 14.366 1.00 0.00 C ATOM 355 CE2 TYR A 25 9.115 6.669 12.496 1.00 0.00 C ATOM 356 CZ TYR A 25 7.852 6.764 13.042 1.00 0.00 C ATOM 357 OH TYR A 25 6.798 7.182 12.262 1.00 0.00 O ATOM 0 H TYR A 25 13.130 3.535 16.367 1.00 0.00 H new ATOM 0 HA TYR A 25 10.219 3.588 15.993 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.067 5.938 16.455 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.070 5.797 15.025 1.00 0.00 H new ATOM 0 HD1 TYR A 25 8.529 5.775 16.184 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.157 6.176 12.853 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.649 6.516 14.790 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.279 6.921 11.459 1.00 0.00 H new ATOM 0 HH TYR A 25 7.117 7.370 11.355 1.00 0.00 H new ATOM 367 N GLU A 26 10.562 2.588 13.760 1.00 0.00 N ATOM 368 CA GLU A 26 10.763 1.896 12.492 1.00 0.00 C ATOM 369 C GLU A 26 10.288 2.753 11.323 1.00 0.00 C ATOM 370 O GLU A 26 9.176 3.282 11.338 1.00 0.00 O ATOM 371 CB GLU A 26 10.021 0.558 12.493 1.00 0.00 C ATOM 372 CG GLU A 26 10.378 -0.336 11.318 1.00 0.00 C ATOM 373 CD GLU A 26 9.802 -1.733 11.451 1.00 0.00 C ATOM 374 OE1 GLU A 26 8.767 -1.886 12.133 1.00 0.00 O ATOM 375 OE2 GLU A 26 10.387 -2.673 10.874 1.00 0.00 O ATOM 0 H GLU A 26 9.621 2.502 14.143 1.00 0.00 H new ATOM 0 HA GLU A 26 11.831 1.711 12.374 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.242 0.030 13.421 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.948 0.747 12.482 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.012 0.118 10.397 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.463 -0.401 11.232 1.00 0.00 H new ATOM 382 N VAL A 27 11.139 2.887 10.310 1.00 0.00 N ATOM 383 CA VAL A 27 10.807 3.679 9.132 1.00 0.00 C ATOM 384 C VAL A 27 10.878 2.835 7.864 1.00 0.00 C ATOM 385 O VAL A 27 11.435 3.260 6.853 1.00 0.00 O ATOM 386 CB VAL A 27 11.750 4.888 8.984 1.00 0.00 C ATOM 387 CG1 VAL A 27 11.447 5.934 10.046 1.00 0.00 C ATOM 388 CG2 VAL A 27 13.202 4.442 9.062 1.00 0.00 C ATOM 0 H VAL A 27 12.064 2.457 10.282 1.00 0.00 H new ATOM 0 HA VAL A 27 9.787 4.038 9.270 1.00 0.00 H new ATOM 0 HB VAL A 27 11.584 5.340 8.006 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.123 6.781 9.926 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.417 6.274 9.939 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.584 5.498 11.036 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.855 5.308 8.956 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.385 3.966 10.025 1.00 0.00 H new ATOM 0 HG23 VAL A 27 13.408 3.732 8.261 1.00 0.00 H new ATOM 398 N GLY A 28 10.308 1.635 7.926 1.00 0.00 N ATOM 399 CA GLY A 28 10.318 0.750 6.776 1.00 0.00 C ATOM 400 C GLY A 28 11.269 -0.418 6.951 1.00 0.00 C ATOM 401 O GLY A 28 10.842 -1.571 7.007 1.00 0.00 O ATOM 0 H GLY A 28 9.840 1.261 8.751 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.310 0.371 6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.602 1.316 5.889 1.00 0.00 H new ATOM 405 N ASP A 29 12.560 -0.119 7.036 1.00 0.00 N ATOM 406 CA ASP A 29 13.575 -1.153 7.205 1.00 0.00 C ATOM 407 C ASP A 29 14.335 -0.959 8.513 1.00 0.00 C ATOM 408 O ASP A 29 14.448 -1.883 9.319 1.00 0.00 O ATOM 409 CB ASP A 29 14.550 -1.137 6.027 1.00 0.00 C ATOM 410 CG ASP A 29 15.414 -2.382 5.974 1.00 0.00 C ATOM 411 OD1 ASP A 29 15.147 -3.322 6.752 1.00 0.00 O ATOM 412 OD2 ASP A 29 16.356 -2.416 5.155 1.00 0.00 O ATOM 0 H ASP A 29 12.929 0.831 6.991 1.00 0.00 H new ATOM 0 HA ASP A 29 13.072 -2.120 7.238 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.990 -1.047 5.096 1.00 0.00 H new ATOM 0 HB3 ASP A 29 15.189 -0.257 6.100 1.00 0.00 H new ATOM 417 N SER A 30 14.855 0.247 8.717 1.00 0.00 N ATOM 418 CA SER A 30 15.609 0.560 9.925 1.00 0.00 C ATOM 419 C SER A 30 14.700 0.552 11.150 1.00 0.00 C ATOM 420 O SER A 30 13.970 1.511 11.403 1.00 0.00 O ATOM 421 CB SER A 30 16.289 1.924 9.789 1.00 0.00 C ATOM 422 OG SER A 30 17.437 1.841 8.963 1.00 0.00 O ATOM 0 H SER A 30 14.768 1.023 8.061 1.00 0.00 H new ATOM 0 HA SER A 30 16.373 -0.207 10.056 1.00 0.00 H new ATOM 0 HB2 SER A 30 15.586 2.644 9.369 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.572 2.293 10.775 1.00 0.00 H new ATOM 0 HG SER A 30 17.852 2.726 8.891 1.00 0.00 H new ATOM 428 N LYS A 31 14.750 -0.537 11.909 1.00 0.00 N ATOM 429 CA LYS A 31 13.933 -0.672 13.109 1.00 0.00 C ATOM 430 C LYS A 31 14.146 0.510 14.049 1.00 0.00 C ATOM 431 O LYS A 31 13.248 0.889 14.801 1.00 0.00 O ATOM 432 CB LYS A 31 14.266 -1.979 13.833 1.00 0.00 C ATOM 433 CG LYS A 31 13.135 -2.496 14.706 1.00 0.00 C ATOM 434 CD LYS A 31 13.604 -3.612 15.624 1.00 0.00 C ATOM 435 CE LYS A 31 13.461 -4.975 14.963 1.00 0.00 C ATOM 436 NZ LYS A 31 14.598 -5.270 14.048 1.00 0.00 N ATOM 0 H LYS A 31 15.348 -1.340 11.714 1.00 0.00 H new ATOM 0 HA LYS A 31 12.886 -0.688 12.805 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.520 -2.739 13.094 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.151 -1.827 14.451 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.732 -1.678 15.303 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.324 -2.860 14.075 1.00 0.00 H new ATOM 0 HD2 LYS A 31 14.646 -3.446 15.897 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.026 -3.592 16.548 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.403 -5.747 15.731 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.526 -5.011 14.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.751 -6.298 14.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.380 -4.912 13.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.459 -4.806 14.403 1.00 0.00 H new ATOM 450 N LYS A 32 15.341 1.091 14.000 1.00 0.00 N ATOM 451 CA LYS A 32 15.672 2.232 14.844 1.00 0.00 C ATOM 452 C LYS A 32 16.183 3.399 14.005 1.00 0.00 C ATOM 453 O LYS A 32 16.635 3.213 12.874 1.00 0.00 O ATOM 454 CB LYS A 32 16.725 1.837 15.882 1.00 0.00 C ATOM 455 CG LYS A 32 17.957 1.183 15.280 1.00 0.00 C ATOM 456 CD LYS A 32 17.788 -0.323 15.163 1.00 0.00 C ATOM 457 CE LYS A 32 19.130 -1.038 15.183 1.00 0.00 C ATOM 458 NZ LYS A 32 19.657 -1.190 16.567 1.00 0.00 N ATOM 0 H LYS A 32 16.096 0.789 13.384 1.00 0.00 H new ATOM 0 HA LYS A 32 14.764 2.547 15.358 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.029 2.726 16.435 1.00 0.00 H new ATOM 0 HB3 LYS A 32 16.275 1.152 16.601 1.00 0.00 H new ATOM 0 HG2 LYS A 32 18.150 1.606 14.294 1.00 0.00 H new ATOM 0 HG3 LYS A 32 18.827 1.406 15.898 1.00 0.00 H new ATOM 0 HD2 LYS A 32 17.169 -0.686 15.984 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.262 -0.560 14.238 1.00 0.00 H new ATOM 0 HE2 LYS A 32 19.024 -2.021 14.725 1.00 0.00 H new ATOM 0 HE3 LYS A 32 19.847 -0.481 14.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.573 -1.682 16.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.782 -0.251 16.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 18.985 -1.744 17.136 1.00 0.00 H new ATOM 472 N LEU A 33 16.110 4.601 14.565 1.00 0.00 N ATOM 473 CA LEU A 33 16.568 5.799 13.869 1.00 0.00 C ATOM 474 C LEU A 33 17.956 6.210 14.348 1.00 0.00 C ATOM 475 O LEU A 33 18.427 5.751 15.388 1.00 0.00 O ATOM 476 CB LEU A 33 15.580 6.947 14.086 1.00 0.00 C ATOM 477 CG LEU A 33 15.694 8.123 13.115 1.00 0.00 C ATOM 478 CD1 LEU A 33 15.539 7.646 11.679 1.00 0.00 C ATOM 479 CD2 LEU A 33 14.656 9.186 13.441 1.00 0.00 C ATOM 0 H LEU A 33 15.738 4.773 15.499 1.00 0.00 H new ATOM 0 HA LEU A 33 16.624 5.572 12.804 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.568 6.546 14.023 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.710 7.325 15.100 1.00 0.00 H new ATOM 0 HG LEU A 33 16.684 8.565 13.224 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.623 8.496 11.002 1.00 0.00 H new ATOM 0 HD12 LEU A 33 16.320 6.921 11.450 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.562 7.178 11.554 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.752 10.015 12.740 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.658 8.756 13.360 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.814 9.549 14.456 1.00 0.00 H new ATOM 491 N PHE A 34 18.606 7.081 13.583 1.00 0.00 N ATOM 492 CA PHE A 34 19.941 7.556 13.929 1.00 0.00 C ATOM 493 C PHE A 34 19.959 9.076 14.063 1.00 0.00 C ATOM 494 O PHE A 34 19.523 9.795 13.163 1.00 0.00 O ATOM 495 CB PHE A 34 20.953 7.113 12.871 1.00 0.00 C ATOM 496 CG PHE A 34 22.381 7.352 13.272 1.00 0.00 C ATOM 497 CD1 PHE A 34 22.897 6.778 14.423 1.00 0.00 C ATOM 498 CD2 PHE A 34 23.208 8.149 12.497 1.00 0.00 C ATOM 499 CE1 PHE A 34 24.210 6.996 14.794 1.00 0.00 C ATOM 500 CE2 PHE A 34 24.523 8.371 12.862 1.00 0.00 C ATOM 501 CZ PHE A 34 25.024 7.793 14.012 1.00 0.00 C ATOM 0 H PHE A 34 18.230 7.472 12.719 1.00 0.00 H new ATOM 0 HA PHE A 34 20.217 7.121 14.890 1.00 0.00 H new ATOM 0 HB2 PHE A 34 20.814 6.051 12.668 1.00 0.00 H new ATOM 0 HB3 PHE A 34 20.751 7.644 11.941 1.00 0.00 H new ATOM 0 HD1 PHE A 34 22.266 6.153 15.037 1.00 0.00 H new ATOM 0 HD2 PHE A 34 22.821 8.602 11.597 1.00 0.00 H new ATOM 0 HE1 PHE A 34 24.600 6.544 15.694 1.00 0.00 H new ATOM 0 HE2 PHE A 34 25.157 8.995 12.249 1.00 0.00 H new ATOM 0 HZ PHE A 34 26.051 7.964 14.300 1.00 0.00 H new ATOM 511 N PHE A 35 20.467 9.559 15.192 1.00 0.00 N ATOM 512 CA PHE A 35 20.542 10.993 15.445 1.00 0.00 C ATOM 513 C PHE A 35 21.835 11.351 16.172 1.00 0.00 C ATOM 514 O PHE A 35 22.387 10.539 16.915 1.00 0.00 O ATOM 515 CB PHE A 35 19.337 11.451 16.269 1.00 0.00 C ATOM 516 CG PHE A 35 19.401 11.029 17.709 1.00 0.00 C ATOM 517 CD1 PHE A 35 19.081 9.733 18.081 1.00 0.00 C ATOM 518 CD2 PHE A 35 19.781 11.929 18.692 1.00 0.00 C ATOM 519 CE1 PHE A 35 19.139 9.342 19.405 1.00 0.00 C ATOM 520 CE2 PHE A 35 19.842 11.544 20.018 1.00 0.00 C ATOM 521 CZ PHE A 35 19.519 10.249 20.375 1.00 0.00 C ATOM 0 H PHE A 35 20.833 8.978 15.946 1.00 0.00 H new ATOM 0 HA PHE A 35 20.533 11.507 14.484 1.00 0.00 H new ATOM 0 HB2 PHE A 35 19.265 12.538 16.220 1.00 0.00 H new ATOM 0 HB3 PHE A 35 18.427 11.051 15.821 1.00 0.00 H new ATOM 0 HD1 PHE A 35 18.783 9.020 17.327 1.00 0.00 H new ATOM 0 HD2 PHE A 35 20.032 12.943 18.419 1.00 0.00 H new ATOM 0 HE1 PHE A 35 18.888 8.329 19.681 1.00 0.00 H new ATOM 0 HE2 PHE A 35 20.142 12.255 20.774 1.00 0.00 H new ATOM 0 HZ PHE A 35 19.564 9.946 21.411 1.00 0.00 H new ATOM 531 N HIS A 36 22.313 12.571 15.951 1.00 0.00 N ATOM 532 CA HIS A 36 23.542 13.037 16.585 1.00 0.00 C ATOM 533 C HIS A 36 23.247 14.148 17.588 1.00 0.00 C ATOM 534 O HIS A 36 22.133 14.670 17.644 1.00 0.00 O ATOM 535 CB HIS A 36 24.528 13.536 15.528 1.00 0.00 C ATOM 536 CG HIS A 36 25.961 13.431 15.950 1.00 0.00 C ATOM 537 ND1 HIS A 36 26.695 14.508 16.400 1.00 0.00 N ATOM 538 CD2 HIS A 36 26.796 12.366 15.989 1.00 0.00 C ATOM 539 CE1 HIS A 36 27.919 14.111 16.696 1.00 0.00 C ATOM 540 NE2 HIS A 36 28.007 12.815 16.457 1.00 0.00 N ATOM 0 H HIS A 36 21.869 13.255 15.338 1.00 0.00 H new ATOM 0 HA HIS A 36 23.988 12.198 17.119 1.00 0.00 H new ATOM 0 HB2 HIS A 36 24.385 12.965 14.611 1.00 0.00 H new ATOM 0 HB3 HIS A 36 24.302 14.576 15.294 1.00 0.00 H new ATOM 0 HD2 HIS A 36 26.555 11.352 15.705 1.00 0.00 H new ATOM 0 HE1 HIS A 36 28.714 14.740 17.070 1.00 0.00 H new ATOM 0 HE2 HIS A 36 28.839 12.241 16.597 1.00 0.00 H new ATOM 548 N VAL A 37 24.253 14.506 18.380 1.00 0.00 N ATOM 549 CA VAL A 37 24.103 15.555 19.381 1.00 0.00 C ATOM 550 C VAL A 37 23.852 16.908 18.725 1.00 0.00 C ATOM 551 O VAL A 37 23.253 17.801 19.326 1.00 0.00 O ATOM 552 CB VAL A 37 25.349 15.655 20.281 1.00 0.00 C ATOM 553 CG1 VAL A 37 25.432 14.457 21.214 1.00 0.00 C ATOM 554 CG2 VAL A 37 26.608 15.772 19.435 1.00 0.00 C ATOM 0 H VAL A 37 25.181 14.084 18.347 1.00 0.00 H new ATOM 0 HA VAL A 37 23.243 15.287 19.994 1.00 0.00 H new ATOM 0 HB VAL A 37 25.264 16.554 20.892 1.00 0.00 H new ATOM 0 HG11 VAL A 37 26.319 14.546 21.842 1.00 0.00 H new ATOM 0 HG12 VAL A 37 24.543 14.424 21.844 1.00 0.00 H new ATOM 0 HG13 VAL A 37 25.494 13.541 20.626 1.00 0.00 H new ATOM 0 HG21 VAL A 37 27.479 15.842 20.087 1.00 0.00 H new ATOM 0 HG22 VAL A 37 26.701 14.893 18.798 1.00 0.00 H new ATOM 0 HG23 VAL A 37 26.547 16.666 18.814 1.00 0.00 H new ATOM 564 N LYS A 38 24.315 17.055 17.488 1.00 0.00 N ATOM 565 CA LYS A 38 24.140 18.299 16.748 1.00 0.00 C ATOM 566 C LYS A 38 22.688 18.476 16.315 1.00 0.00 C ATOM 567 O LYS A 38 22.226 19.597 16.107 1.00 0.00 O ATOM 568 CB LYS A 38 25.055 18.319 15.522 1.00 0.00 C ATOM 569 CG LYS A 38 24.562 17.446 14.381 1.00 0.00 C ATOM 570 CD LYS A 38 25.653 17.206 13.351 1.00 0.00 C ATOM 571 CE LYS A 38 26.451 15.950 13.667 1.00 0.00 C ATOM 572 NZ LYS A 38 27.333 15.553 12.535 1.00 0.00 N ATOM 0 H LYS A 38 24.815 16.327 16.977 1.00 0.00 H new ATOM 0 HA LYS A 38 24.407 19.125 17.407 1.00 0.00 H new ATOM 0 HB2 LYS A 38 25.151 19.345 15.168 1.00 0.00 H new ATOM 0 HB3 LYS A 38 26.051 17.989 15.817 1.00 0.00 H new ATOM 0 HG2 LYS A 38 24.217 16.491 14.776 1.00 0.00 H new ATOM 0 HG3 LYS A 38 23.706 17.921 13.902 1.00 0.00 H new ATOM 0 HD2 LYS A 38 25.206 17.115 12.361 1.00 0.00 H new ATOM 0 HD3 LYS A 38 26.322 18.066 13.321 1.00 0.00 H new ATOM 0 HE2 LYS A 38 27.057 16.119 14.557 1.00 0.00 H new ATOM 0 HE3 LYS A 38 25.767 15.134 13.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 27.859 14.693 12.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 26.753 15.367 11.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 28.003 16.322 12.331 1.00 0.00 H new ATOM 586 N GLU A 39 21.975 17.361 16.184 1.00 0.00 N ATOM 587 CA GLU A 39 20.575 17.395 15.777 1.00 0.00 C ATOM 588 C GLU A 39 19.724 18.120 16.815 1.00 0.00 C ATOM 589 O GLU A 39 19.174 19.189 16.547 1.00 0.00 O ATOM 590 CB GLU A 39 20.047 15.974 15.570 1.00 0.00 C ATOM 591 CG GLU A 39 20.595 15.296 14.326 1.00 0.00 C ATOM 592 CD GLU A 39 19.764 14.102 13.898 1.00 0.00 C ATOM 593 OE1 GLU A 39 18.679 13.894 14.481 1.00 0.00 O ATOM 594 OE2 GLU A 39 20.199 13.375 12.981 1.00 0.00 O ATOM 0 H GLU A 39 22.343 16.425 16.353 1.00 0.00 H new ATOM 0 HA GLU A 39 20.510 17.940 14.835 1.00 0.00 H new ATOM 0 HB2 GLU A 39 20.299 15.371 16.443 1.00 0.00 H new ATOM 0 HB3 GLU A 39 18.959 16.005 15.507 1.00 0.00 H new ATOM 0 HG2 GLU A 39 20.634 16.018 13.510 1.00 0.00 H new ATOM 0 HG3 GLU A 39 21.619 14.973 14.514 1.00 0.00 H new ATOM 601 N VAL A 40 19.619 17.531 18.002 1.00 0.00 N ATOM 602 CA VAL A 40 18.835 18.119 19.081 1.00 0.00 C ATOM 603 C VAL A 40 19.232 19.572 19.320 1.00 0.00 C ATOM 604 O VAL A 40 20.414 19.888 19.454 1.00 0.00 O ATOM 605 CB VAL A 40 19.005 17.330 20.393 1.00 0.00 C ATOM 606 CG1 VAL A 40 20.466 17.309 20.818 1.00 0.00 C ATOM 607 CG2 VAL A 40 18.131 17.923 21.488 1.00 0.00 C ATOM 0 H VAL A 40 20.067 16.646 18.241 1.00 0.00 H new ATOM 0 HA VAL A 40 17.790 18.076 18.773 1.00 0.00 H new ATOM 0 HB VAL A 40 18.686 16.302 20.222 1.00 0.00 H new ATOM 0 HG11 VAL A 40 20.567 16.747 21.747 1.00 0.00 H new ATOM 0 HG12 VAL A 40 21.064 16.835 20.040 1.00 0.00 H new ATOM 0 HG13 VAL A 40 20.815 18.330 20.972 1.00 0.00 H new ATOM 0 HG21 VAL A 40 18.264 17.353 22.408 1.00 0.00 H new ATOM 0 HG22 VAL A 40 18.417 18.961 21.660 1.00 0.00 H new ATOM 0 HG23 VAL A 40 17.086 17.880 21.182 1.00 0.00 H new ATOM 617 N GLN A 41 18.237 20.451 19.371 1.00 0.00 N ATOM 618 CA GLN A 41 18.483 21.871 19.593 1.00 0.00 C ATOM 619 C GLN A 41 17.894 22.324 20.925 1.00 0.00 C ATOM 620 O GLN A 41 17.428 21.506 21.718 1.00 0.00 O ATOM 621 CB GLN A 41 17.888 22.698 18.451 1.00 0.00 C ATOM 622 CG GLN A 41 18.188 22.135 17.072 1.00 0.00 C ATOM 623 CD GLN A 41 19.663 22.190 16.726 1.00 0.00 C ATOM 624 OE1 GLN A 41 20.472 22.713 17.493 1.00 0.00 O ATOM 625 NE2 GLN A 41 20.021 21.650 15.567 1.00 0.00 N ATOM 0 H GLN A 41 17.253 20.205 19.262 1.00 0.00 H new ATOM 0 HA GLN A 41 19.561 22.027 19.622 1.00 0.00 H new ATOM 0 HB2 GLN A 41 16.808 22.759 18.582 1.00 0.00 H new ATOM 0 HB3 GLN A 41 18.274 23.716 18.511 1.00 0.00 H new ATOM 0 HG2 GLN A 41 17.846 21.101 17.024 1.00 0.00 H new ATOM 0 HG3 GLN A 41 17.623 22.693 16.325 1.00 0.00 H new ATOM 0 HE21 GLN A 41 19.317 21.227 14.962 1.00 0.00 H new ATOM 0 HE22 GLN A 41 21.000 21.658 15.281 1.00 0.00 H new ATOM 634 N ASP A 42 17.920 23.630 21.164 1.00 0.00 N ATOM 635 CA ASP A 42 17.388 24.192 22.400 1.00 0.00 C ATOM 636 C ASP A 42 18.150 23.660 23.610 1.00 0.00 C ATOM 637 O ASP A 42 17.626 23.634 24.723 1.00 0.00 O ATOM 638 CB ASP A 42 15.900 23.866 22.535 1.00 0.00 C ATOM 639 CG ASP A 42 15.237 24.641 23.656 1.00 0.00 C ATOM 640 OD1 ASP A 42 15.676 25.776 23.934 1.00 0.00 O ATOM 641 OD2 ASP A 42 14.278 24.112 24.256 1.00 0.00 O ATOM 0 H ASP A 42 18.304 24.320 20.518 1.00 0.00 H new ATOM 0 HA ASP A 42 17.512 25.274 22.361 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.395 24.089 21.595 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.780 22.798 22.715 1.00 0.00 H new ATOM 646 N GLY A 43 19.389 23.236 23.384 1.00 0.00 N ATOM 647 CA GLY A 43 20.202 22.710 24.464 1.00 0.00 C ATOM 648 C GLY A 43 19.495 21.618 25.243 1.00 0.00 C ATOM 649 O GLY A 43 19.498 21.624 26.474 1.00 0.00 O ATOM 0 H GLY A 43 19.845 23.247 22.471 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.133 22.316 24.056 1.00 0.00 H new ATOM 0 HA3 GLY A 43 20.469 23.521 25.142 1.00 0.00 H new ATOM 653 N ILE A 44 18.887 20.680 24.525 1.00 0.00 N ATOM 654 CA ILE A 44 18.173 19.578 25.157 1.00 0.00 C ATOM 655 C ILE A 44 18.963 18.278 25.052 1.00 0.00 C ATOM 656 O ILE A 44 19.654 18.039 24.062 1.00 0.00 O ATOM 657 CB ILE A 44 16.783 19.373 24.526 1.00 0.00 C ATOM 658 CG1 ILE A 44 16.037 20.706 24.438 1.00 0.00 C ATOM 659 CG2 ILE A 44 15.979 18.363 25.332 1.00 0.00 C ATOM 660 CD1 ILE A 44 15.733 21.319 25.787 1.00 0.00 C ATOM 0 H ILE A 44 18.875 20.661 23.505 1.00 0.00 H new ATOM 0 HA ILE A 44 18.051 19.842 26.207 1.00 0.00 H new ATOM 0 HB ILE A 44 16.913 18.983 23.516 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.632 21.408 23.855 1.00 0.00 H new ATOM 0 HG13 ILE A 44 15.102 20.555 23.898 1.00 0.00 H new ATOM 0 HG21 ILE A 44 14.999 18.229 24.874 1.00 0.00 H new ATOM 0 HG22 ILE A 44 16.506 17.409 25.349 1.00 0.00 H new ATOM 0 HG23 ILE A 44 15.856 18.727 26.352 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.203 22.261 25.647 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.111 20.636 26.365 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.665 21.502 26.322 1.00 0.00 H new ATOM 672 N GLU A 45 18.854 17.441 26.079 1.00 0.00 N ATOM 673 CA GLU A 45 19.558 16.164 26.100 1.00 0.00 C ATOM 674 C GLU A 45 18.573 15.000 26.149 1.00 0.00 C ATOM 675 O GLU A 45 17.673 14.968 26.989 1.00 0.00 O ATOM 676 CB GLU A 45 20.502 16.098 27.303 1.00 0.00 C ATOM 677 CG GLU A 45 21.189 14.752 27.463 1.00 0.00 C ATOM 678 CD GLU A 45 22.141 14.443 26.324 1.00 0.00 C ATOM 679 OE1 GLU A 45 22.928 15.338 25.950 1.00 0.00 O ATOM 680 OE2 GLU A 45 22.099 13.308 25.806 1.00 0.00 O ATOM 0 H GLU A 45 18.286 17.624 26.906 1.00 0.00 H new ATOM 0 HA GLU A 45 20.142 16.085 25.183 1.00 0.00 H new ATOM 0 HB2 GLU A 45 21.261 16.874 27.202 1.00 0.00 H new ATOM 0 HB3 GLU A 45 19.938 16.319 28.209 1.00 0.00 H new ATOM 0 HG2 GLU A 45 21.738 14.739 28.404 1.00 0.00 H new ATOM 0 HG3 GLU A 45 20.434 13.968 27.523 1.00 0.00 H new ATOM 687 N LEU A 46 18.749 14.046 25.242 1.00 0.00 N ATOM 688 CA LEU A 46 17.875 12.879 25.179 1.00 0.00 C ATOM 689 C LEU A 46 18.486 11.701 25.932 1.00 0.00 C ATOM 690 O LEU A 46 19.676 11.418 25.799 1.00 0.00 O ATOM 691 CB LEU A 46 17.616 12.489 23.723 1.00 0.00 C ATOM 692 CG LEU A 46 17.442 13.647 22.739 1.00 0.00 C ATOM 693 CD1 LEU A 46 17.357 13.126 21.312 1.00 0.00 C ATOM 694 CD2 LEU A 46 16.205 14.461 23.086 1.00 0.00 C ATOM 0 H LEU A 46 19.489 14.057 24.540 1.00 0.00 H new ATOM 0 HA LEU A 46 16.928 13.138 25.653 1.00 0.00 H new ATOM 0 HB2 LEU A 46 18.445 11.869 23.381 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.719 11.870 23.687 1.00 0.00 H new ATOM 0 HG LEU A 46 18.313 14.298 22.816 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.233 13.964 20.626 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.272 12.587 21.066 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.504 12.453 21.221 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.097 15.280 22.375 1.00 0.00 H new ATOM 0 HD22 LEU A 46 15.324 13.822 23.039 1.00 0.00 H new ATOM 0 HD23 LEU A 46 16.306 14.865 24.093 1.00 0.00 H new ATOM 706 N GLN A 47 17.661 11.018 26.720 1.00 0.00 N ATOM 707 CA GLN A 47 18.120 9.870 27.492 1.00 0.00 C ATOM 708 C GLN A 47 17.283 8.634 27.180 1.00 0.00 C ATOM 709 O GLN A 47 16.368 8.684 26.358 1.00 0.00 O ATOM 710 CB GLN A 47 18.059 10.178 28.989 1.00 0.00 C ATOM 711 CG GLN A 47 18.892 11.383 29.397 1.00 0.00 C ATOM 712 CD GLN A 47 18.806 11.676 30.882 1.00 0.00 C ATOM 713 OE1 GLN A 47 18.303 12.722 31.292 1.00 0.00 O ATOM 714 NE2 GLN A 47 19.297 10.750 31.698 1.00 0.00 N ATOM 0 H GLN A 47 16.673 11.240 26.840 1.00 0.00 H new ATOM 0 HA GLN A 47 19.154 9.666 27.212 1.00 0.00 H new ATOM 0 HB2 GLN A 47 17.021 10.351 29.274 1.00 0.00 H new ATOM 0 HB3 GLN A 47 18.401 9.305 29.545 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.933 11.209 29.124 1.00 0.00 H new ATOM 0 HG3 GLN A 47 18.558 12.257 28.838 1.00 0.00 H new ATOM 0 HE21 GLN A 47 19.705 9.897 31.315 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.266 10.892 32.708 1.00 0.00 H new ATOM 723 N ALA A 48 17.601 7.527 27.842 1.00 0.00 N ATOM 724 CA ALA A 48 16.877 6.279 27.637 1.00 0.00 C ATOM 725 C ALA A 48 15.457 6.372 28.185 1.00 0.00 C ATOM 726 O ALA A 48 15.253 6.468 29.394 1.00 0.00 O ATOM 727 CB ALA A 48 17.622 5.123 28.289 1.00 0.00 C ATOM 0 H ALA A 48 18.356 7.469 28.525 1.00 0.00 H new ATOM 0 HA ALA A 48 16.813 6.097 26.564 1.00 0.00 H new ATOM 0 HB1 ALA A 48 17.070 4.197 28.128 1.00 0.00 H new ATOM 0 HB2 ALA A 48 18.615 5.035 27.848 1.00 0.00 H new ATOM 0 HB3 ALA A 48 17.716 5.308 29.359 1.00 0.00 H new ATOM 733 N GLY A 49 14.478 6.343 27.286 1.00 0.00 N ATOM 734 CA GLY A 49 13.089 6.426 27.699 1.00 0.00 C ATOM 735 C GLY A 49 12.527 7.827 27.566 1.00 0.00 C ATOM 736 O GLY A 49 11.478 8.139 28.131 1.00 0.00 O ATOM 0 H GLY A 49 14.622 6.264 26.279 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.493 5.740 27.097 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.001 6.100 28.735 1.00 0.00 H new ATOM 740 N ASP A 50 13.227 8.675 26.820 1.00 0.00 N ATOM 741 CA ASP A 50 12.792 10.052 26.615 1.00 0.00 C ATOM 742 C ASP A 50 12.105 10.209 25.262 1.00 0.00 C ATOM 743 O ASP A 50 12.735 10.063 24.215 1.00 0.00 O ATOM 744 CB ASP A 50 13.984 11.005 26.710 1.00 0.00 C ATOM 745 CG ASP A 50 14.311 11.382 28.141 1.00 0.00 C ATOM 746 OD1 ASP A 50 14.308 10.483 29.007 1.00 0.00 O ATOM 747 OD2 ASP A 50 14.570 12.578 28.396 1.00 0.00 O ATOM 0 H ASP A 50 14.098 8.433 26.347 1.00 0.00 H new ATOM 0 HA ASP A 50 12.075 10.301 27.397 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.856 10.538 26.252 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.769 11.909 26.139 1.00 0.00 H new ATOM 752 N GLU A 51 10.810 10.507 25.292 1.00 0.00 N ATOM 753 CA GLU A 51 10.038 10.682 24.067 1.00 0.00 C ATOM 754 C GLU A 51 10.310 12.048 23.444 1.00 0.00 C ATOM 755 O GLU A 51 10.202 13.079 24.108 1.00 0.00 O ATOM 756 CB GLU A 51 8.543 10.528 24.354 1.00 0.00 C ATOM 757 CG GLU A 51 7.743 10.027 23.163 1.00 0.00 C ATOM 758 CD GLU A 51 6.356 9.554 23.550 1.00 0.00 C ATOM 759 OE1 GLU A 51 5.954 9.781 24.711 1.00 0.00 O ATOM 760 OE2 GLU A 51 5.671 8.956 22.693 1.00 0.00 O ATOM 0 H GLU A 51 10.274 10.632 26.150 1.00 0.00 H new ATOM 0 HA GLU A 51 10.346 9.912 23.360 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.411 9.837 25.186 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.142 11.490 24.672 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.658 10.825 22.425 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.282 9.208 22.686 1.00 0.00 H new ATOM 767 N VAL A 52 10.663 12.047 22.162 1.00 0.00 N ATOM 768 CA VAL A 52 10.950 13.285 21.448 1.00 0.00 C ATOM 769 C VAL A 52 10.203 13.339 20.120 1.00 0.00 C ATOM 770 O VAL A 52 9.784 12.310 19.591 1.00 0.00 O ATOM 771 CB VAL A 52 12.459 13.443 21.182 1.00 0.00 C ATOM 772 CG1 VAL A 52 13.236 13.427 22.489 1.00 0.00 C ATOM 773 CG2 VAL A 52 12.952 12.350 20.246 1.00 0.00 C ATOM 0 H VAL A 52 10.757 11.203 21.597 1.00 0.00 H new ATOM 0 HA VAL A 52 10.613 14.103 22.085 1.00 0.00 H new ATOM 0 HB VAL A 52 12.626 14.406 20.699 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.300 13.540 22.281 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.901 14.249 23.122 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.065 12.481 23.002 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.020 12.477 20.069 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.773 11.375 20.699 1.00 0.00 H new ATOM 0 HG23 VAL A 52 12.417 12.414 19.298 1.00 0.00 H new ATOM 783 N GLU A 53 10.040 14.546 19.587 1.00 0.00 N ATOM 784 CA GLU A 53 9.343 14.733 18.320 1.00 0.00 C ATOM 785 C GLU A 53 10.313 15.163 17.223 1.00 0.00 C ATOM 786 O GLU A 53 10.929 16.226 17.305 1.00 0.00 O ATOM 787 CB GLU A 53 8.233 15.776 18.472 1.00 0.00 C ATOM 788 CG GLU A 53 7.290 15.839 17.283 1.00 0.00 C ATOM 789 CD GLU A 53 6.597 17.182 17.158 1.00 0.00 C ATOM 790 OE1 GLU A 53 7.276 18.217 17.321 1.00 0.00 O ATOM 791 OE2 GLU A 53 5.376 17.197 16.898 1.00 0.00 O ATOM 0 H GLU A 53 10.381 15.408 20.013 1.00 0.00 H new ATOM 0 HA GLU A 53 8.899 13.779 18.035 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.657 15.553 19.370 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.685 16.757 18.619 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.849 15.637 16.370 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.539 15.054 17.378 1.00 0.00 H new ATOM 798 N PHE A 54 10.444 14.329 16.197 1.00 0.00 N ATOM 799 CA PHE A 54 11.340 14.621 15.084 1.00 0.00 C ATOM 800 C PHE A 54 10.622 14.448 13.749 1.00 0.00 C ATOM 801 O PHE A 54 9.555 13.838 13.679 1.00 0.00 O ATOM 802 CB PHE A 54 12.568 13.710 15.138 1.00 0.00 C ATOM 803 CG PHE A 54 12.227 12.250 15.230 1.00 0.00 C ATOM 804 CD1 PHE A 54 11.786 11.556 14.114 1.00 0.00 C ATOM 805 CD2 PHE A 54 12.349 11.571 16.431 1.00 0.00 C ATOM 806 CE1 PHE A 54 11.471 10.213 14.197 1.00 0.00 C ATOM 807 CE2 PHE A 54 12.036 10.227 16.520 1.00 0.00 C ATOM 808 CZ PHE A 54 11.598 9.547 15.400 1.00 0.00 C ATOM 0 H PHE A 54 9.941 13.446 16.113 1.00 0.00 H new ATOM 0 HA PHE A 54 11.662 15.659 15.171 1.00 0.00 H new ATOM 0 HB2 PHE A 54 13.175 13.878 14.248 1.00 0.00 H new ATOM 0 HB3 PHE A 54 13.179 13.987 15.997 1.00 0.00 H new ATOM 0 HD1 PHE A 54 11.688 12.070 13.169 1.00 0.00 H new ATOM 0 HD2 PHE A 54 12.693 12.098 17.309 1.00 0.00 H new ATOM 0 HE1 PHE A 54 11.125 9.684 13.321 1.00 0.00 H new ATOM 0 HE2 PHE A 54 12.134 9.710 17.463 1.00 0.00 H new ATOM 0 HZ PHE A 54 11.355 8.497 15.465 1.00 0.00 H new ATOM 818 N SER A 55 11.216 14.991 12.690 1.00 0.00 N ATOM 819 CA SER A 55 10.632 14.902 11.357 1.00 0.00 C ATOM 820 C SER A 55 11.435 13.951 10.475 1.00 0.00 C ATOM 821 O SER A 55 12.661 14.037 10.405 1.00 0.00 O ATOM 822 CB SER A 55 10.571 16.287 10.710 1.00 0.00 C ATOM 823 OG SER A 55 10.073 17.253 11.619 1.00 0.00 O ATOM 0 H SER A 55 12.101 15.497 12.730 1.00 0.00 H new ATOM 0 HA SER A 55 9.620 14.511 11.456 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.566 16.579 10.373 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.933 16.251 9.827 1.00 0.00 H new ATOM 0 HG SER A 55 10.045 18.130 11.182 1.00 0.00 H new ATOM 829 N VAL A 56 10.735 13.043 9.802 1.00 0.00 N ATOM 830 CA VAL A 56 11.381 12.076 8.923 1.00 0.00 C ATOM 831 C VAL A 56 11.868 12.739 7.640 1.00 0.00 C ATOM 832 O VAL A 56 11.128 13.481 6.993 1.00 0.00 O ATOM 833 CB VAL A 56 10.427 10.922 8.561 1.00 0.00 C ATOM 834 CG1 VAL A 56 11.110 9.940 7.621 1.00 0.00 C ATOM 835 CG2 VAL A 56 9.942 10.218 9.819 1.00 0.00 C ATOM 0 H VAL A 56 9.720 12.957 9.849 1.00 0.00 H new ATOM 0 HA VAL A 56 12.235 11.674 9.468 1.00 0.00 H new ATOM 0 HB VAL A 56 9.560 11.338 8.047 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.421 9.132 7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.404 10.456 6.707 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.995 9.528 8.106 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.269 9.406 9.545 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.796 9.814 10.362 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.413 10.929 10.453 1.00 0.00 H new ATOM 845 N ILE A 57 13.118 12.468 7.278 1.00 0.00 N ATOM 846 CA ILE A 57 13.703 13.037 6.070 1.00 0.00 C ATOM 847 C ILE A 57 14.326 11.953 5.197 1.00 0.00 C ATOM 848 O ILE A 57 15.046 11.082 5.688 1.00 0.00 O ATOM 849 CB ILE A 57 14.777 14.088 6.408 1.00 0.00 C ATOM 850 CG1 ILE A 57 14.238 15.089 7.431 1.00 0.00 C ATOM 851 CG2 ILE A 57 15.231 14.805 5.145 1.00 0.00 C ATOM 852 CD1 ILE A 57 13.061 15.894 6.927 1.00 0.00 C ATOM 0 H ILE A 57 13.744 11.858 7.804 1.00 0.00 H new ATOM 0 HA ILE A 57 12.893 13.519 5.523 1.00 0.00 H new ATOM 0 HB ILE A 57 15.637 13.580 6.844 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.941 14.551 8.332 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.039 15.771 7.716 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.990 15.545 5.399 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.650 14.081 4.446 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.379 15.304 4.683 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.731 16.583 7.705 1.00 0.00 H new ATOM 0 HD12 ILE A 57 13.358 16.459 6.044 1.00 0.00 H new ATOM 0 HD13 ILE A 57 12.244 15.221 6.669 1.00 0.00 H new ATOM 864 N LEU A 58 14.045 12.012 3.900 1.00 0.00 N ATOM 865 CA LEU A 58 14.579 11.036 2.956 1.00 0.00 C ATOM 866 C LEU A 58 15.502 11.706 1.944 1.00 0.00 C ATOM 867 O LEU A 58 15.232 12.814 1.481 1.00 0.00 O ATOM 868 CB LEU A 58 13.437 10.324 2.229 1.00 0.00 C ATOM 869 CG LEU A 58 13.839 9.462 1.032 1.00 0.00 C ATOM 870 CD1 LEU A 58 14.716 8.302 1.479 1.00 0.00 C ATOM 871 CD2 LEU A 58 12.604 8.949 0.305 1.00 0.00 C ATOM 0 H LEU A 58 13.450 12.725 3.478 1.00 0.00 H new ATOM 0 HA LEU A 58 15.158 10.303 3.517 1.00 0.00 H new ATOM 0 HB2 LEU A 58 12.914 9.692 2.947 1.00 0.00 H new ATOM 0 HB3 LEU A 58 12.725 11.076 1.888 1.00 0.00 H new ATOM 0 HG LEU A 58 14.413 10.080 0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 58 14.992 7.700 0.613 1.00 0.00 H new ATOM 0 HD12 LEU A 58 15.617 8.689 1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 58 14.168 7.685 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 58 12.909 8.337 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.003 8.348 0.988 1.00 0.00 H new ATOM 0 HD23 LEU A 58 12.014 9.794 -0.050 1.00 0.00 H new ATOM 883 N ASN A 59 16.592 11.025 1.604 1.00 0.00 N ATOM 884 CA ASN A 59 17.555 11.554 0.645 1.00 0.00 C ATOM 885 C ASN A 59 17.562 10.722 -0.634 1.00 0.00 C ATOM 886 O ASN A 59 17.693 9.499 -0.588 1.00 0.00 O ATOM 887 CB ASN A 59 18.956 11.579 1.258 1.00 0.00 C ATOM 888 CG ASN A 59 19.853 12.616 0.609 1.00 0.00 C ATOM 889 OD1 ASN A 59 19.377 13.620 0.080 1.00 0.00 O ATOM 890 ND2 ASN A 59 21.158 12.375 0.647 1.00 0.00 N ATOM 0 H ASN A 59 16.830 10.106 1.978 1.00 0.00 H new ATOM 0 HA ASN A 59 17.258 12.572 0.394 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.879 11.786 2.325 1.00 0.00 H new ATOM 0 HB3 ASN A 59 19.412 10.594 1.157 1.00 0.00 H new ATOM 0 HD21 ASN A 59 21.811 13.036 0.227 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.507 11.529 1.097 1.00 0.00 H new ATOM 897 N GLN A 60 17.422 11.394 -1.772 1.00 0.00 N ATOM 898 CA GLN A 60 17.413 10.716 -3.063 1.00 0.00 C ATOM 899 C GLN A 60 18.833 10.418 -3.532 1.00 0.00 C ATOM 900 O GLN A 60 19.069 9.451 -4.255 1.00 0.00 O ATOM 901 CB GLN A 60 16.687 11.568 -4.105 1.00 0.00 C ATOM 902 CG GLN A 60 15.189 11.313 -4.163 1.00 0.00 C ATOM 903 CD GLN A 60 14.421 12.114 -3.130 1.00 0.00 C ATOM 904 OE1 GLN A 60 13.724 11.552 -2.284 1.00 0.00 O ATOM 905 NE2 GLN A 60 14.543 13.434 -3.193 1.00 0.00 N ATOM 0 H GLN A 60 17.313 12.407 -1.826 1.00 0.00 H new ATOM 0 HA GLN A 60 16.884 9.770 -2.944 1.00 0.00 H new ATOM 0 HB2 GLN A 60 16.860 12.622 -3.885 1.00 0.00 H new ATOM 0 HB3 GLN A 60 17.119 11.373 -5.087 1.00 0.00 H new ATOM 0 HG2 GLN A 60 14.820 11.562 -5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 60 14.999 10.251 -4.009 1.00 0.00 H new ATOM 0 HE21 GLN A 60 15.131 13.858 -3.910 1.00 0.00 H new ATOM 0 HE22 GLN A 60 14.049 14.024 -2.524 1.00 0.00 H new ATOM 914 N ARG A 61 19.776 11.257 -3.115 1.00 0.00 N ATOM 915 CA ARG A 61 21.173 11.085 -3.494 1.00 0.00 C ATOM 916 C ARG A 61 21.733 9.782 -2.931 1.00 0.00 C ATOM 917 O ARG A 61 22.344 8.992 -3.652 1.00 0.00 O ATOM 918 CB ARG A 61 22.008 12.267 -2.998 1.00 0.00 C ATOM 919 CG ARG A 61 23.258 12.520 -3.826 1.00 0.00 C ATOM 920 CD ARG A 61 22.975 13.458 -4.989 1.00 0.00 C ATOM 921 NE ARG A 61 22.312 12.773 -6.095 1.00 0.00 N ATOM 922 CZ ARG A 61 21.632 13.402 -7.047 1.00 0.00 C ATOM 923 NH1 ARG A 61 21.526 14.724 -7.027 1.00 0.00 N ATOM 924 NH2 ARG A 61 21.056 12.710 -8.021 1.00 0.00 N ATOM 0 H ARG A 61 19.598 12.062 -2.515 1.00 0.00 H new ATOM 0 HA ARG A 61 21.225 11.043 -4.582 1.00 0.00 H new ATOM 0 HB2 ARG A 61 21.390 13.165 -3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 61 22.298 12.087 -1.963 1.00 0.00 H new ATOM 0 HG2 ARG A 61 24.035 12.948 -3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 61 23.642 11.573 -4.206 1.00 0.00 H new ATOM 0 HD2 ARG A 61 22.350 14.282 -4.646 1.00 0.00 H new ATOM 0 HD3 ARG A 61 23.911 13.893 -5.340 1.00 0.00 H new ATOM 0 HE ARG A 61 22.374 11.756 -6.139 1.00 0.00 H new ATOM 0 HH11 ARG A 61 21.967 15.260 -6.280 1.00 0.00 H new ATOM 0 HH12 ARG A 61 21.003 15.205 -7.759 1.00 0.00 H new ATOM 0 HH21 ARG A 61 21.135 11.693 -8.040 1.00 0.00 H new ATOM 0 HH22 ARG A 61 20.534 13.195 -8.751 1.00 0.00 H new ATOM 938 N THR A 62 21.520 9.563 -1.637 1.00 0.00 N ATOM 939 CA THR A 62 22.004 8.357 -0.976 1.00 0.00 C ATOM 940 C THR A 62 20.915 7.293 -0.908 1.00 0.00 C ATOM 941 O THR A 62 21.087 6.182 -1.409 1.00 0.00 O ATOM 942 CB THR A 62 22.500 8.659 0.450 1.00 0.00 C ATOM 943 OG1 THR A 62 21.446 9.243 1.223 1.00 0.00 O ATOM 944 CG2 THR A 62 23.695 9.601 0.420 1.00 0.00 C ATOM 0 H THR A 62 21.015 10.205 -1.026 1.00 0.00 H new ATOM 0 HA THR A 62 22.837 7.983 -1.571 1.00 0.00 H new ATOM 0 HB THR A 62 22.809 7.720 0.909 1.00 0.00 H new ATOM 0 HG1 THR A 62 21.828 9.728 1.984 1.00 0.00 H new ATOM 0 HG21 THR A 62 24.027 9.800 1.439 1.00 0.00 H new ATOM 0 HG22 THR A 62 24.507 9.141 -0.143 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.408 10.538 -0.057 1.00 0.00 H new ATOM 952 N GLY A 63 19.792 7.639 -0.286 1.00 0.00 N ATOM 953 CA GLY A 63 18.691 6.702 -0.166 1.00 0.00 C ATOM 954 C GLY A 63 18.462 6.258 1.266 1.00 0.00 C ATOM 955 O GLY A 63 17.873 5.206 1.511 1.00 0.00 O ATOM 0 H GLY A 63 19.625 8.552 0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 63 17.781 7.164 -0.550 1.00 0.00 H new ATOM 0 HA3 GLY A 63 18.892 5.829 -0.786 1.00 0.00 H new ATOM 959 N LYS A 64 18.930 7.062 2.215 1.00 0.00 N ATOM 960 CA LYS A 64 18.774 6.748 3.630 1.00 0.00 C ATOM 961 C LYS A 64 17.930 7.807 4.332 1.00 0.00 C ATOM 962 O LYS A 64 17.561 8.818 3.733 1.00 0.00 O ATOM 963 CB LYS A 64 20.144 6.642 4.304 1.00 0.00 C ATOM 964 CG LYS A 64 20.878 7.968 4.400 1.00 0.00 C ATOM 965 CD LYS A 64 22.344 7.770 4.749 1.00 0.00 C ATOM 966 CE LYS A 64 22.925 8.998 5.433 1.00 0.00 C ATOM 967 NZ LYS A 64 23.390 10.013 4.447 1.00 0.00 N ATOM 0 H LYS A 64 19.421 7.937 2.029 1.00 0.00 H new ATOM 0 HA LYS A 64 18.262 5.789 3.710 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.016 6.234 5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.760 5.935 3.748 1.00 0.00 H new ATOM 0 HG2 LYS A 64 20.797 8.499 3.452 1.00 0.00 H new ATOM 0 HG3 LYS A 64 20.404 8.593 5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 64 22.450 6.904 5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 64 22.909 7.556 3.842 1.00 0.00 H new ATOM 0 HE2 LYS A 64 22.172 9.442 6.084 1.00 0.00 H new ATOM 0 HE3 LYS A 64 23.759 8.700 6.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 23.779 10.835 4.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 24.127 9.597 3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 22.589 10.317 3.857 1.00 0.00 H new ATOM 981 N CYS A 65 17.630 7.569 5.604 1.00 0.00 N ATOM 982 CA CYS A 65 16.830 8.503 6.389 1.00 0.00 C ATOM 983 C CYS A 65 17.479 8.771 7.743 1.00 0.00 C ATOM 984 O CYS A 65 18.338 8.012 8.192 1.00 0.00 O ATOM 985 CB CYS A 65 15.416 7.955 6.587 1.00 0.00 C ATOM 986 SG CYS A 65 14.635 7.361 5.068 1.00 0.00 S ATOM 0 H CYS A 65 17.928 6.738 6.114 1.00 0.00 H new ATOM 0 HA CYS A 65 16.774 9.444 5.841 1.00 0.00 H new ATOM 0 HB2 CYS A 65 15.452 7.138 7.308 1.00 0.00 H new ATOM 0 HB3 CYS A 65 14.793 8.736 7.022 1.00 0.00 H new ATOM 0 HG CYS A 65 13.444 6.916 5.338 1.00 0.00 H new ATOM 992 N SER A 66 17.064 9.857 8.387 1.00 0.00 N ATOM 993 CA SER A 66 17.610 10.229 9.688 1.00 0.00 C ATOM 994 C SER A 66 16.715 11.253 10.379 1.00 0.00 C ATOM 995 O SER A 66 15.723 11.711 9.812 1.00 0.00 O ATOM 996 CB SER A 66 19.022 10.794 9.530 1.00 0.00 C ATOM 997 OG SER A 66 19.015 11.976 8.749 1.00 0.00 O ATOM 0 H SER A 66 16.352 10.494 8.030 1.00 0.00 H new ATOM 0 HA SER A 66 17.653 9.332 10.306 1.00 0.00 H new ATOM 0 HB2 SER A 66 19.444 11.006 10.512 1.00 0.00 H new ATOM 0 HB3 SER A 66 19.665 10.049 9.061 1.00 0.00 H new ATOM 0 HG SER A 66 19.930 12.318 8.665 1.00 0.00 H new ATOM 1003 N ALA A 67 17.073 11.608 11.609 1.00 0.00 N ATOM 1004 CA ALA A 67 16.305 12.579 12.378 1.00 0.00 C ATOM 1005 C ALA A 67 16.867 13.986 12.204 1.00 0.00 C ATOM 1006 O ALA A 67 17.988 14.162 11.723 1.00 0.00 O ATOM 1007 CB ALA A 67 16.289 12.193 13.849 1.00 0.00 C ATOM 0 H ALA A 67 17.890 11.237 12.094 1.00 0.00 H new ATOM 0 HA ALA A 67 15.282 12.576 12.002 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.712 12.927 14.411 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.833 11.209 13.962 1.00 0.00 H new ATOM 0 HB3 ALA A 67 17.310 12.166 14.229 1.00 0.00 H new ATOM 1013 N CYS A 68 16.084 14.984 12.597 1.00 0.00 N ATOM 1014 CA CYS A 68 16.504 16.376 12.483 1.00 0.00 C ATOM 1015 C CYS A 68 15.677 17.271 13.401 1.00 0.00 C ATOM 1016 O CYS A 68 14.487 17.035 13.606 1.00 0.00 O ATOM 1017 CB CYS A 68 16.375 16.853 11.035 1.00 0.00 C ATOM 1018 SG CYS A 68 17.586 18.108 10.560 1.00 0.00 S ATOM 0 H CYS A 68 15.155 14.855 12.997 1.00 0.00 H new ATOM 0 HA CYS A 68 17.549 16.440 12.788 1.00 0.00 H new ATOM 0 HB2 CYS A 68 16.478 15.995 10.371 1.00 0.00 H new ATOM 0 HB3 CYS A 68 15.373 17.255 10.884 1.00 0.00 H new ATOM 0 HG CYS A 68 17.397 18.445 9.319 1.00 0.00 H new ATOM 1024 N ASN A 69 16.317 18.297 13.952 1.00 0.00 N ATOM 1025 CA ASN A 69 15.642 19.225 14.851 1.00 0.00 C ATOM 1026 C ASN A 69 14.922 18.475 15.968 1.00 0.00 C ATOM 1027 O ASN A 69 13.824 18.853 16.377 1.00 0.00 O ATOM 1028 CB ASN A 69 14.644 20.085 14.074 1.00 0.00 C ATOM 1029 CG ASN A 69 15.242 20.661 12.805 1.00 0.00 C ATOM 1030 OD1 ASN A 69 16.393 21.097 12.791 1.00 0.00 O ATOM 1031 ND2 ASN A 69 14.461 20.665 11.731 1.00 0.00 N ATOM 0 H ASN A 69 17.302 18.507 13.792 1.00 0.00 H new ATOM 0 HA ASN A 69 16.397 19.871 15.299 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.771 19.484 13.821 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.297 20.899 14.711 1.00 0.00 H new ATOM 0 HD21 ASN A 69 14.809 21.040 10.849 1.00 0.00 H new ATOM 0 HD22 ASN A 69 13.513 20.293 11.788 1.00 0.00 H new ATOM 1038 N VAL A 70 15.548 17.409 16.457 1.00 0.00 N ATOM 1039 CA VAL A 70 14.969 16.607 17.527 1.00 0.00 C ATOM 1040 C VAL A 70 14.627 17.468 18.738 1.00 0.00 C ATOM 1041 O VAL A 70 15.510 18.052 19.366 1.00 0.00 O ATOM 1042 CB VAL A 70 15.925 15.481 17.966 1.00 0.00 C ATOM 1043 CG1 VAL A 70 15.245 14.563 18.969 1.00 0.00 C ATOM 1044 CG2 VAL A 70 16.413 14.697 16.757 1.00 0.00 C ATOM 0 H VAL A 70 16.456 17.081 16.129 1.00 0.00 H new ATOM 0 HA VAL A 70 14.055 16.164 17.130 1.00 0.00 H new ATOM 0 HB VAL A 70 16.790 15.931 18.452 1.00 0.00 H new ATOM 0 HG11 VAL A 70 15.936 13.774 19.267 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.950 15.138 19.847 1.00 0.00 H new ATOM 0 HG13 VAL A 70 14.361 14.118 18.513 1.00 0.00 H new ATOM 0 HG21 VAL A 70 17.087 13.906 17.084 1.00 0.00 H new ATOM 0 HG22 VAL A 70 15.560 14.257 16.241 1.00 0.00 H new ATOM 0 HG23 VAL A 70 16.942 15.366 16.079 1.00 0.00 H new ATOM 1054 N TRP A 71 13.341 17.543 19.059 1.00 0.00 N ATOM 1055 CA TRP A 71 12.882 18.334 20.196 1.00 0.00 C ATOM 1056 C TRP A 71 12.193 17.451 21.231 1.00 0.00 C ATOM 1057 O TRP A 71 11.230 16.750 20.920 1.00 0.00 O ATOM 1058 CB TRP A 71 11.926 19.431 19.727 1.00 0.00 C ATOM 1059 CG TRP A 71 12.625 20.693 19.319 1.00 0.00 C ATOM 1060 CD1 TRP A 71 13.808 20.793 18.644 1.00 0.00 C ATOM 1061 CD2 TRP A 71 12.184 22.034 19.561 1.00 0.00 C ATOM 1062 NE1 TRP A 71 14.129 22.116 18.453 1.00 0.00 N ATOM 1063 CE2 TRP A 71 13.149 22.896 19.005 1.00 0.00 C ATOM 1064 CE3 TRP A 71 11.068 22.589 20.192 1.00 0.00 C ATOM 1065 CZ2 TRP A 71 13.029 24.282 19.063 1.00 0.00 C ATOM 1066 CZ3 TRP A 71 10.951 23.965 20.249 1.00 0.00 C ATOM 1067 CH2 TRP A 71 11.926 24.799 19.687 1.00 0.00 C ATOM 0 H TRP A 71 12.597 17.066 18.549 1.00 0.00 H new ATOM 0 HA TRP A 71 13.753 18.795 20.661 1.00 0.00 H new ATOM 0 HB2 TRP A 71 11.342 19.059 18.885 1.00 0.00 H new ATOM 0 HB3 TRP A 71 11.222 19.657 20.528 1.00 0.00 H new ATOM 0 HD1 TRP A 71 14.403 19.956 18.310 1.00 0.00 H new ATOM 0 HE1 TRP A 71 14.963 22.461 17.977 1.00 0.00 H new ATOM 0 HE3 TRP A 71 10.310 21.954 20.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 13.780 24.927 18.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 10.093 24.405 20.735 1.00 0.00 H new ATOM 0 HH2 TRP A 71 11.805 25.871 19.747 1.00 0.00 H new ATOM 1078 N ARG A 72 12.693 17.489 22.462 1.00 0.00 N ATOM 1079 CA ARG A 72 12.126 16.692 23.542 1.00 0.00 C ATOM 1080 C ARG A 72 10.705 17.145 23.865 1.00 0.00 C ATOM 1081 O ARG A 72 10.476 18.303 24.214 1.00 0.00 O ATOM 1082 CB ARG A 72 13.001 16.792 24.793 1.00 0.00 C ATOM 1083 CG ARG A 72 12.853 15.609 25.736 1.00 0.00 C ATOM 1084 CD ARG A 72 13.282 15.968 27.150 1.00 0.00 C ATOM 1085 NE ARG A 72 12.228 16.664 27.883 1.00 0.00 N ATOM 1086 CZ ARG A 72 12.377 17.135 29.116 1.00 0.00 C ATOM 1087 NH1 ARG A 72 13.532 16.986 29.750 1.00 0.00 N ATOM 1088 NH2 ARG A 72 11.371 17.757 29.717 1.00 0.00 N ATOM 0 H ARG A 72 13.490 18.064 22.736 1.00 0.00 H new ATOM 0 HA ARG A 72 12.092 15.653 23.213 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.045 16.876 24.490 1.00 0.00 H new ATOM 0 HB3 ARG A 72 12.750 17.707 25.329 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.815 15.275 25.743 1.00 0.00 H new ATOM 0 HG3 ARG A 72 13.454 14.775 25.373 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.557 15.060 27.687 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.171 16.597 27.110 1.00 0.00 H new ATOM 0 HE ARG A 72 11.327 16.796 27.423 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.308 16.509 29.291 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.645 17.348 30.697 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.481 17.874 29.232 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.487 18.118 30.664 1.00 0.00 H new ATOM 1102 N VAL A 73 9.754 16.225 23.745 1.00 0.00 N ATOM 1103 CA VAL A 73 8.355 16.529 24.024 1.00 0.00 C ATOM 1104 C VAL A 73 7.907 15.899 25.338 1.00 0.00 C ATOM 1105 O VAL A 73 6.974 16.378 25.981 1.00 0.00 O ATOM 1106 CB VAL A 73 7.436 16.036 22.891 1.00 0.00 C ATOM 1107 CG1 VAL A 73 7.544 14.527 22.735 1.00 0.00 C ATOM 1108 CG2 VAL A 73 5.997 16.452 23.153 1.00 0.00 C ATOM 0 H VAL A 73 9.926 15.262 23.456 1.00 0.00 H new ATOM 0 HA VAL A 73 8.276 17.614 24.099 1.00 0.00 H new ATOM 0 HB VAL A 73 7.759 16.498 21.958 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.888 14.197 21.930 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.573 14.259 22.497 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.248 14.043 23.666 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.362 16.095 22.342 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.659 16.021 24.095 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.937 17.539 23.209 1.00 0.00 H new ATOM 1118 N SER A 74 8.580 14.822 25.730 1.00 0.00 N ATOM 1119 CA SER A 74 8.249 14.123 26.967 1.00 0.00 C ATOM 1120 C SER A 74 8.306 15.073 28.160 1.00 0.00 C ATOM 1121 O SER A 74 8.782 16.201 28.046 1.00 0.00 O ATOM 1122 CB SER A 74 9.207 12.951 27.187 1.00 0.00 C ATOM 1123 OG SER A 74 8.821 12.181 28.313 1.00 0.00 O ATOM 0 H SER A 74 9.357 14.415 25.210 1.00 0.00 H new ATOM 0 HA SER A 74 7.232 13.740 26.878 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.224 12.319 26.299 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.220 13.327 27.330 1.00 0.00 H new ATOM 0 HG SER A 74 9.448 11.437 28.431 1.00 0.00 H new ATOM 1129 N GLY A 75 7.817 14.605 29.304 1.00 0.00 N ATOM 1130 CA GLY A 75 7.822 15.424 30.502 1.00 0.00 C ATOM 1131 C GLY A 75 9.217 15.636 31.054 1.00 0.00 C ATOM 1132 O GLY A 75 10.216 15.278 30.430 1.00 0.00 O ATOM 0 H GLY A 75 7.418 13.674 29.423 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.372 16.391 30.279 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.201 14.952 31.264 1.00 0.00 H new ATOM 1136 N PRO A 76 9.300 16.235 32.252 1.00 0.00 N ATOM 1137 CA PRO A 76 10.579 16.509 32.914 1.00 0.00 C ATOM 1138 C PRO A 76 11.268 15.236 33.393 1.00 0.00 C ATOM 1139 O PRO A 76 12.485 15.209 33.576 1.00 0.00 O ATOM 1140 CB PRO A 76 10.181 17.383 34.106 1.00 0.00 C ATOM 1141 CG PRO A 76 8.763 17.020 34.385 1.00 0.00 C ATOM 1142 CD PRO A 76 8.150 16.689 33.053 1.00 0.00 C ATOM 0 HA PRO A 76 11.294 16.982 32.241 1.00 0.00 H new ATOM 0 HB2 PRO A 76 10.817 17.188 34.970 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.279 18.443 33.870 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.704 16.169 35.064 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.236 17.846 34.863 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.390 15.912 33.142 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.667 17.558 32.606 1.00 0.00 H new ATOM 1150 N SER A 77 10.482 14.183 33.594 1.00 0.00 N ATOM 1151 CA SER A 77 11.017 12.907 34.056 1.00 0.00 C ATOM 1152 C SER A 77 11.847 13.092 35.323 1.00 0.00 C ATOM 1153 O SER A 77 12.795 12.347 35.572 1.00 0.00 O ATOM 1154 CB SER A 77 11.872 12.263 32.962 1.00 0.00 C ATOM 1155 OG SER A 77 11.061 11.625 31.991 1.00 0.00 O ATOM 0 H SER A 77 9.473 14.188 33.444 1.00 0.00 H new ATOM 0 HA SER A 77 10.178 12.251 34.286 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.488 13.024 32.483 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.551 11.536 33.407 1.00 0.00 H new ATOM 0 HG SER A 77 11.630 11.223 31.302 1.00 0.00 H new ATOM 1161 N SER A 78 11.483 14.091 36.120 1.00 0.00 N ATOM 1162 CA SER A 78 12.195 14.378 37.360 1.00 0.00 C ATOM 1163 C SER A 78 11.299 14.136 38.570 1.00 0.00 C ATOM 1164 O SER A 78 11.718 13.531 39.556 1.00 0.00 O ATOM 1165 CB SER A 78 12.695 15.824 37.363 1.00 0.00 C ATOM 1166 OG SER A 78 13.085 16.232 36.063 1.00 0.00 O ATOM 0 H SER A 78 10.699 14.715 35.929 1.00 0.00 H new ATOM 0 HA SER A 78 13.050 13.705 37.423 1.00 0.00 H new ATOM 0 HB2 SER A 78 11.910 16.483 37.734 1.00 0.00 H new ATOM 0 HB3 SER A 78 13.539 15.919 38.046 1.00 0.00 H new ATOM 0 HG SER A 78 13.399 17.160 36.092 1.00 0.00 H new ATOM 1172 N GLY A 79 10.060 14.613 38.487 1.00 0.00 N ATOM 1173 CA GLY A 79 9.123 14.439 39.581 1.00 0.00 C ATOM 1174 C GLY A 79 9.415 15.362 40.747 1.00 0.00 C ATOM 1175 O GLY A 79 8.905 15.161 41.849 1.00 0.00 O ATOM 0 H GLY A 79 9.689 15.117 37.681 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.111 14.623 39.221 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.157 13.405 39.923 1.00 0.00 H new TER 1179 GLY A 79