USER MOD reduce.3.24.130724 H: found=0, std=0, add=533, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 531 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 38 THR OG1 : rot -11:sc= 0.344 USER MOD Set 1.2: A 56 GLN : amide:sc= -2.02! C(o=-1.7!,f=-1.9!) 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 -54:sc= 0.392 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 27:sc= 0.603 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 163:sc= -0.0108 (180deg=-0.185) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.889 K(o=-0.89,f=-0.37) USER MOD Single : A 25 ASN : amide:sc= -3.89! C(o=-3.9!,f=-2.5!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -2.33! C(o=-2.3!,f=-2.7!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 142:sc=-0.00441 (180deg=-0.0323) USER MOD Single : A 51 ASN : amide:sc= -4.04! C(o=-4!,f=-13!) USER MOD Single : A 52 ASN : amide:sc= -0.108 K(o=-0.11,f=-1.9!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -114:sc= 0.603 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0289 X(o=-0.029,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 153:sc= -1.29 (180deg=-2.68!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.271 17.766 -0.632 1.00 0.00 N ATOM 2 CA GLY A 1 -10.871 17.877 -0.267 1.00 0.00 C ATOM 3 C GLY A 1 -10.419 19.318 -0.132 1.00 0.00 C ATOM 4 O GLY A 1 -9.841 19.884 -1.060 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.530 16.762 -0.712 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.857 18.218 0.098 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.430 18.238 -1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.702 17.357 0.676 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.262 17.377 -1.020 1.00 0.00 H new ATOM 8 N SER A 2 -10.684 19.913 1.026 1.00 0.00 N ATOM 9 CA SER A 2 -10.306 21.299 1.278 1.00 0.00 C ATOM 10 C SER A 2 -9.117 21.373 2.231 1.00 0.00 C ATOM 11 O SER A 2 -9.283 21.361 3.451 1.00 0.00 O ATOM 12 CB SER A 2 -11.489 22.075 1.859 1.00 0.00 C ATOM 13 OG SER A 2 -12.332 22.565 0.830 1.00 0.00 O ATOM 0 H SER A 2 -11.159 19.457 1.805 1.00 0.00 H new ATOM 0 HA SER A 2 -10.017 21.749 0.328 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.061 21.428 2.525 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.122 22.907 2.460 1.00 0.00 H new ATOM 0 HG SER A 2 -13.082 23.056 1.227 1.00 0.00 H new ATOM 19 N SER A 3 -7.917 21.449 1.666 1.00 0.00 N ATOM 20 CA SER A 3 -6.698 21.522 2.464 1.00 0.00 C ATOM 21 C SER A 3 -6.631 20.366 3.458 1.00 0.00 C ATOM 22 O SER A 3 -6.298 20.557 4.627 1.00 0.00 O ATOM 23 CB SER A 3 -6.630 22.856 3.209 1.00 0.00 C ATOM 24 OG SER A 3 -5.372 23.024 3.839 1.00 0.00 O ATOM 0 H SER A 3 -7.762 21.462 0.658 1.00 0.00 H new ATOM 0 HA SER A 3 -5.845 21.448 1.789 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.803 23.675 2.511 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.423 22.900 3.956 1.00 0.00 H new ATOM 0 HG SER A 3 -5.183 22.247 4.405 1.00 0.00 H new ATOM 30 N GLY A 4 -6.951 19.166 2.984 1.00 0.00 N ATOM 31 CA GLY A 4 -6.922 17.997 3.844 1.00 0.00 C ATOM 32 C GLY A 4 -6.563 16.732 3.090 1.00 0.00 C ATOM 33 O GLY A 4 -5.613 16.036 3.448 1.00 0.00 O ATOM 0 H GLY A 4 -7.230 18.982 2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.200 18.157 4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.897 17.872 4.315 1.00 0.00 H new ATOM 37 N SER A 5 -7.326 16.432 2.043 1.00 0.00 N ATOM 38 CA SER A 5 -7.088 15.239 1.240 1.00 0.00 C ATOM 39 C SER A 5 -6.094 15.529 0.119 1.00 0.00 C ATOM 40 O SER A 5 -5.156 14.764 -0.107 1.00 0.00 O ATOM 41 CB SER A 5 -8.402 14.724 0.651 1.00 0.00 C ATOM 42 OG SER A 5 -9.238 14.187 1.661 1.00 0.00 O ATOM 0 H SER A 5 -8.114 16.999 1.732 1.00 0.00 H new ATOM 0 HA SER A 5 -6.665 14.473 1.889 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.919 15.537 0.141 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.194 13.960 -0.098 1.00 0.00 H new ATOM 0 HG SER A 5 -10.072 13.866 1.259 1.00 0.00 H new ATOM 48 N SER A 6 -6.307 16.639 -0.580 1.00 0.00 N ATOM 49 CA SER A 6 -5.433 17.029 -1.680 1.00 0.00 C ATOM 50 C SER A 6 -4.220 17.798 -1.164 1.00 0.00 C ATOM 51 O SER A 6 -4.353 18.882 -0.599 1.00 0.00 O ATOM 52 CB SER A 6 -6.200 17.884 -2.690 1.00 0.00 C ATOM 53 OG SER A 6 -6.675 19.078 -2.092 1.00 0.00 O ATOM 0 H SER A 6 -7.077 17.284 -0.404 1.00 0.00 H new ATOM 0 HA SER A 6 -5.084 16.122 -2.173 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.551 18.128 -3.531 1.00 0.00 H new ATOM 0 HB3 SER A 6 -7.039 17.315 -3.090 1.00 0.00 H new ATOM 0 HG SER A 6 -6.092 19.323 -1.344 1.00 0.00 H new ATOM 59 N GLY A 7 -3.036 17.226 -1.363 1.00 0.00 N ATOM 60 CA GLY A 7 -1.816 17.870 -0.913 1.00 0.00 C ATOM 61 C GLY A 7 -0.695 17.762 -1.927 1.00 0.00 C ATOM 62 O GLY A 7 -0.920 17.368 -3.071 1.00 0.00 O ATOM 0 H GLY A 7 -2.900 16.328 -1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.018 18.922 -0.710 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.496 17.419 0.027 1.00 0.00 H new ATOM 66 N MET A 8 0.516 18.114 -1.508 1.00 0.00 N ATOM 67 CA MET A 8 1.677 18.055 -2.389 1.00 0.00 C ATOM 68 C MET A 8 2.352 16.690 -2.308 1.00 0.00 C ATOM 69 O MET A 8 3.020 16.261 -3.248 1.00 0.00 O ATOM 70 CB MET A 8 2.676 19.155 -2.025 1.00 0.00 C ATOM 71 CG MET A 8 2.178 20.556 -2.336 1.00 0.00 C ATOM 72 SD MET A 8 3.522 21.739 -2.553 1.00 0.00 S ATOM 73 CE MET A 8 3.265 22.806 -1.137 1.00 0.00 C ATOM 0 H MET A 8 0.719 18.443 -0.564 1.00 0.00 H new ATOM 0 HA MET A 8 1.334 18.210 -3.412 1.00 0.00 H new ATOM 0 HB2 MET A 8 2.906 19.088 -0.962 1.00 0.00 H new ATOM 0 HB3 MET A 8 3.607 18.981 -2.564 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.573 20.529 -3.242 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.528 20.894 -1.529 1.00 0.00 H new ATOM 0 HE1 MET A 8 4.021 23.591 -1.131 1.00 0.00 H new ATOM 0 HE2 MET A 8 2.274 23.256 -1.196 1.00 0.00 H new ATOM 0 HE3 MET A 8 3.344 22.220 -0.221 1.00 0.00 H new ATOM 83 N ALA A 9 2.174 16.013 -1.178 1.00 0.00 N ATOM 84 CA ALA A 9 2.765 14.696 -0.975 1.00 0.00 C ATOM 85 C ALA A 9 1.750 13.724 -0.383 1.00 0.00 C ATOM 86 O ALA A 9 1.465 13.761 0.814 1.00 0.00 O ATOM 87 CB ALA A 9 3.988 14.799 -0.076 1.00 0.00 C ATOM 0 H ALA A 9 1.625 16.355 -0.389 1.00 0.00 H new ATOM 0 HA ALA A 9 3.074 14.310 -1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.419 13.808 0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.727 15.453 -0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.696 15.210 0.890 1.00 0.00 H new ATOM 93 N THR A 10 1.206 12.855 -1.229 1.00 0.00 N ATOM 94 CA THR A 10 0.222 11.874 -0.790 1.00 0.00 C ATOM 95 C THR A 10 0.896 10.591 -0.319 1.00 0.00 C ATOM 96 O THR A 10 1.884 10.145 -0.904 1.00 0.00 O ATOM 97 CB THR A 10 -0.774 11.535 -1.915 1.00 0.00 C ATOM 98 OG1 THR A 10 -1.403 12.730 -2.390 1.00 0.00 O ATOM 99 CG2 THR A 10 -1.832 10.559 -1.425 1.00 0.00 C ATOM 0 H THR A 10 1.431 12.811 -2.223 1.00 0.00 H new ATOM 0 HA THR A 10 -0.321 12.322 0.042 1.00 0.00 H new ATOM 0 HB THR A 10 -0.221 11.068 -2.730 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.033 12.506 -3.106 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.524 10.335 -2.237 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.352 9.639 -1.093 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.380 11.003 -0.594 1.00 0.00 H new ATOM 107 N LYS A 11 0.357 10.000 0.742 1.00 0.00 N ATOM 108 CA LYS A 11 0.905 8.765 1.291 1.00 0.00 C ATOM 109 C LYS A 11 -0.203 7.755 1.571 1.00 0.00 C ATOM 110 O LYS A 11 -1.303 8.124 1.983 1.00 0.00 O ATOM 111 CB LYS A 11 1.681 9.056 2.578 1.00 0.00 C ATOM 112 CG LYS A 11 2.858 9.995 2.379 1.00 0.00 C ATOM 113 CD LYS A 11 4.095 9.247 1.911 1.00 0.00 C ATOM 114 CE LYS A 11 5.224 10.203 1.556 1.00 0.00 C ATOM 115 NZ LYS A 11 6.021 10.590 2.753 1.00 0.00 N ATOM 0 H LYS A 11 -0.459 10.356 1.239 1.00 0.00 H new ATOM 0 HA LYS A 11 1.584 8.338 0.553 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.001 9.489 3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.043 8.116 2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.595 10.759 1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.076 10.511 3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.427 8.565 2.694 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.846 8.638 1.042 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.878 9.735 0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.810 11.098 1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.780 11.242 2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 5.403 11.059 3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.438 9.739 3.182 1.00 0.00 H new ATOM 129 N ALA A 12 0.094 6.480 1.346 1.00 0.00 N ATOM 130 CA ALA A 12 -0.876 5.417 1.578 1.00 0.00 C ATOM 131 C ALA A 12 -0.295 4.329 2.475 1.00 0.00 C ATOM 132 O ALA A 12 0.890 4.007 2.388 1.00 0.00 O ATOM 133 CB ALA A 12 -1.334 4.823 0.254 1.00 0.00 C ATOM 0 H ALA A 12 0.999 6.158 1.003 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.737 5.850 2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.058 4.030 0.442 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.797 5.601 -0.353 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.475 4.412 -0.277 1.00 0.00 H new ATOM 139 N ARG A 13 -1.136 3.766 3.336 1.00 0.00 N ATOM 140 CA ARG A 13 -0.705 2.716 4.250 1.00 0.00 C ATOM 141 C ARG A 13 -1.186 1.349 3.773 1.00 0.00 C ATOM 142 O ARG A 13 -2.376 1.148 3.530 1.00 0.00 O ATOM 143 CB ARG A 13 -1.231 2.990 5.660 1.00 0.00 C ATOM 144 CG ARG A 13 -0.674 2.045 6.712 1.00 0.00 C ATOM 145 CD ARG A 13 -1.522 2.055 7.975 1.00 0.00 C ATOM 146 NE ARG A 13 -0.801 1.511 9.122 1.00 0.00 N ATOM 147 CZ ARG A 13 0.218 2.128 9.710 1.00 0.00 C ATOM 148 NH1 ARG A 13 0.634 3.304 9.260 1.00 0.00 N ATOM 149 NH2 ARG A 13 0.823 1.569 10.750 1.00 0.00 N ATOM 0 H ARG A 13 -2.120 4.020 3.420 1.00 0.00 H new ATOM 0 HA ARG A 13 0.385 2.712 4.271 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.985 4.015 5.938 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.318 2.914 5.654 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.632 1.033 6.308 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.348 2.333 6.957 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.834 3.076 8.194 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.429 1.474 7.808 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.096 0.607 9.492 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.171 3.737 8.461 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.417 3.776 9.713 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.506 0.665 11.099 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.605 2.044 11.201 1.00 0.00 H new ATOM 163 N VAL A 14 -0.253 0.412 3.641 1.00 0.00 N ATOM 164 CA VAL A 14 -0.581 -0.937 3.193 1.00 0.00 C ATOM 165 C VAL A 14 -1.236 -1.742 4.310 1.00 0.00 C ATOM 166 O VAL A 14 -0.682 -1.875 5.401 1.00 0.00 O ATOM 167 CB VAL A 14 0.672 -1.686 2.703 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.284 -3.003 2.047 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.470 -0.817 1.742 1.00 0.00 C ATOM 0 H VAL A 14 0.737 0.562 3.838 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.281 -0.834 2.364 1.00 0.00 H new ATOM 0 HB VAL A 14 1.302 -1.908 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.182 -3.519 1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.242 -3.628 2.769 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.367 -2.807 1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.352 -1.362 1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.851 -0.562 0.882 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.780 0.097 2.249 1.00 0.00 H new ATOM 179 N MET A 15 -2.420 -2.277 4.030 1.00 0.00 N ATOM 180 CA MET A 15 -3.151 -3.072 5.010 1.00 0.00 C ATOM 181 C MET A 15 -2.781 -4.547 4.899 1.00 0.00 C ATOM 182 O MET A 15 -2.809 -5.280 5.888 1.00 0.00 O ATOM 183 CB MET A 15 -4.658 -2.896 4.819 1.00 0.00 C ATOM 184 CG MET A 15 -5.066 -1.473 4.475 1.00 0.00 C ATOM 185 SD MET A 15 -6.813 -1.156 4.786 1.00 0.00 S ATOM 186 CE MET A 15 -7.551 -1.853 3.310 1.00 0.00 C ATOM 0 H MET A 15 -2.894 -2.174 3.132 1.00 0.00 H new ATOM 0 HA MET A 15 -2.875 -2.721 6.004 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.996 -3.564 4.026 1.00 0.00 H new ATOM 0 HB3 MET A 15 -5.170 -3.201 5.732 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.465 -0.776 5.059 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.847 -1.280 3.425 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.617 -2.011 3.476 1.00 0.00 H new ATOM 0 HE2 MET A 15 -7.412 -1.167 2.475 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.074 -2.806 3.080 1.00 0.00 H new ATOM 196 N TYR A 16 -2.435 -4.976 3.691 1.00 0.00 N ATOM 197 CA TYR A 16 -2.062 -6.365 3.451 1.00 0.00 C ATOM 198 C TYR A 16 -0.893 -6.455 2.475 1.00 0.00 C ATOM 199 O TYR A 16 -0.937 -5.890 1.382 1.00 0.00 O ATOM 200 CB TYR A 16 -3.257 -7.149 2.905 1.00 0.00 C ATOM 201 CG TYR A 16 -4.532 -6.930 3.687 1.00 0.00 C ATOM 202 CD1 TYR A 16 -5.377 -5.867 3.391 1.00 0.00 C ATOM 203 CD2 TYR A 16 -4.893 -7.784 4.721 1.00 0.00 C ATOM 204 CE1 TYR A 16 -6.543 -5.662 4.103 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.058 -7.588 5.437 1.00 0.00 C ATOM 206 CZ TYR A 16 -6.879 -6.525 5.124 1.00 0.00 C ATOM 207 OH TYR A 16 -8.040 -6.325 5.836 1.00 0.00 O ATOM 0 H TYR A 16 -2.405 -4.382 2.862 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.753 -6.800 4.401 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.424 -6.864 1.866 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -3.016 -8.212 2.909 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.118 -5.190 2.591 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.251 -8.616 4.970 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -7.188 -4.830 3.861 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.324 -8.263 6.237 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.129 -7.022 6.519 1.00 0.00 H new ATOM 217 N ASP A 17 0.152 -7.170 2.878 1.00 0.00 N ATOM 218 CA ASP A 17 1.334 -7.336 2.040 1.00 0.00 C ATOM 219 C ASP A 17 0.958 -7.912 0.678 1.00 0.00 C ATOM 220 O ASP A 17 0.457 -9.033 0.584 1.00 0.00 O ATOM 221 CB ASP A 17 2.351 -8.246 2.730 1.00 0.00 C ATOM 222 CG ASP A 17 1.700 -9.448 3.387 1.00 0.00 C ATOM 223 OD1 ASP A 17 1.392 -10.422 2.669 1.00 0.00 O ATOM 224 OD2 ASP A 17 1.497 -9.413 4.619 1.00 0.00 O ATOM 0 H ASP A 17 0.205 -7.644 3.780 1.00 0.00 H new ATOM 0 HA ASP A 17 1.782 -6.354 1.888 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.084 -8.588 1.999 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.894 -7.674 3.482 1.00 0.00 H new ATOM 229 N PHE A 18 1.201 -7.138 -0.374 1.00 0.00 N ATOM 230 CA PHE A 18 0.886 -7.571 -1.731 1.00 0.00 C ATOM 231 C PHE A 18 2.128 -8.118 -2.429 1.00 0.00 C ATOM 232 O PHE A 18 3.234 -7.615 -2.235 1.00 0.00 O ATOM 233 CB PHE A 18 0.304 -6.408 -2.537 1.00 0.00 C ATOM 234 CG PHE A 18 -0.024 -6.769 -3.958 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.834 -7.857 -4.241 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.479 -6.021 -5.010 1.00 0.00 C ATOM 237 CE1 PHE A 18 -1.138 -8.191 -5.547 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.178 -6.350 -6.318 1.00 0.00 C ATOM 239 CZ PHE A 18 -0.630 -7.437 -6.587 1.00 0.00 C ATOM 0 H PHE A 18 1.615 -6.208 -0.314 1.00 0.00 H new ATOM 0 HA PHE A 18 0.145 -8.368 -1.669 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.600 -6.050 -2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.016 -5.583 -2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.232 -8.451 -3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.113 -5.171 -4.806 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.772 -9.040 -5.754 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.574 -5.757 -7.129 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.864 -7.697 -7.609 1.00 0.00 H new ATOM 249 N ALA A 19 1.935 -9.151 -3.242 1.00 0.00 N ATOM 250 CA ALA A 19 3.038 -9.766 -3.971 1.00 0.00 C ATOM 251 C ALA A 19 2.916 -9.510 -5.469 1.00 0.00 C ATOM 252 O ALA A 19 2.025 -10.045 -6.129 1.00 0.00 O ATOM 253 CB ALA A 19 3.087 -11.261 -3.690 1.00 0.00 C ATOM 0 H ALA A 19 1.025 -9.580 -3.413 1.00 0.00 H new ATOM 0 HA ALA A 19 3.967 -9.312 -3.627 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.915 -11.708 -4.240 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.230 -11.426 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.151 -11.721 -4.006 1.00 0.00 H new ATOM 259 N ALA A 20 3.816 -8.690 -6.000 1.00 0.00 N ATOM 260 CA ALA A 20 3.810 -8.365 -7.421 1.00 0.00 C ATOM 261 C ALA A 20 4.896 -9.134 -8.165 1.00 0.00 C ATOM 262 O ALA A 20 5.825 -9.661 -7.554 1.00 0.00 O ATOM 263 CB ALA A 20 3.990 -6.868 -7.621 1.00 0.00 C ATOM 0 H ALA A 20 4.559 -8.238 -5.467 1.00 0.00 H new ATOM 0 HA ALA A 20 2.845 -8.662 -7.832 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.984 -6.640 -8.687 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.175 -6.335 -7.131 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.940 -6.555 -7.189 1.00 0.00 H new ATOM 269 N GLU A 21 4.771 -9.196 -9.487 1.00 0.00 N ATOM 270 CA GLU A 21 5.743 -9.903 -10.313 1.00 0.00 C ATOM 271 C GLU A 21 6.495 -8.932 -11.220 1.00 0.00 C ATOM 272 O GLU A 21 5.940 -7.954 -11.720 1.00 0.00 O ATOM 273 CB GLU A 21 5.046 -10.971 -11.159 1.00 0.00 C ATOM 274 CG GLU A 21 4.803 -12.273 -10.415 1.00 0.00 C ATOM 275 CD GLU A 21 4.431 -13.414 -11.342 1.00 0.00 C ATOM 276 OE1 GLU A 21 5.195 -13.676 -12.294 1.00 0.00 O ATOM 277 OE2 GLU A 21 3.377 -14.044 -11.115 1.00 0.00 O ATOM 0 H GLU A 21 4.007 -8.766 -10.008 1.00 0.00 H new ATOM 0 HA GLU A 21 6.461 -10.386 -9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.091 -10.579 -11.510 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.651 -11.175 -12.043 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.700 -12.541 -9.857 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.006 -12.127 -9.686 1.00 0.00 H new ATOM 284 N PRO A 22 7.790 -9.208 -11.436 1.00 0.00 N ATOM 285 CA PRO A 22 8.646 -8.372 -12.282 1.00 0.00 C ATOM 286 C PRO A 22 8.277 -8.472 -13.759 1.00 0.00 C ATOM 287 O PRO A 22 8.622 -9.443 -14.430 1.00 0.00 O ATOM 288 CB PRO A 22 10.047 -8.942 -12.042 1.00 0.00 C ATOM 289 CG PRO A 22 9.815 -10.354 -11.630 1.00 0.00 C ATOM 290 CD PRO A 22 8.517 -10.357 -10.872 1.00 0.00 C ATOM 0 HA PRO A 22 8.553 -7.314 -12.036 1.00 0.00 H new ATOM 0 HB2 PRO A 22 10.656 -8.888 -12.944 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.574 -8.385 -11.267 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.761 -11.010 -12.499 1.00 0.00 H new ATOM 0 HG3 PRO A 22 10.632 -10.718 -11.006 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.970 -11.289 -11.016 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.678 -10.244 -9.800 1.00 0.00 H new ATOM 298 N GLY A 23 7.574 -7.460 -14.258 1.00 0.00 N ATOM 299 CA GLY A 23 7.171 -7.453 -15.652 1.00 0.00 C ATOM 300 C GLY A 23 5.666 -7.369 -15.819 1.00 0.00 C ATOM 301 O GLY A 23 5.140 -7.633 -16.900 1.00 0.00 O ATOM 0 H GLY A 23 7.276 -6.645 -13.722 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.638 -6.608 -16.158 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.538 -8.357 -16.138 1.00 0.00 H new ATOM 305 N ASN A 24 4.972 -7.002 -14.747 1.00 0.00 N ATOM 306 CA ASN A 24 3.519 -6.887 -14.780 1.00 0.00 C ATOM 307 C ASN A 24 3.071 -5.512 -14.292 1.00 0.00 C ATOM 308 O ASN A 24 2.008 -5.372 -13.690 1.00 0.00 O ATOM 309 CB ASN A 24 2.880 -7.978 -13.918 1.00 0.00 C ATOM 310 CG ASN A 24 2.612 -9.249 -14.701 1.00 0.00 C ATOM 311 OD1 ASN A 24 2.070 -9.208 -15.806 1.00 0.00 O ATOM 312 ND2 ASN A 24 2.990 -10.387 -14.130 1.00 0.00 N ATOM 0 H ASN A 24 5.392 -6.779 -13.845 1.00 0.00 H new ATOM 0 HA ASN A 24 3.193 -7.011 -15.813 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.536 -8.204 -13.077 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.944 -7.607 -13.501 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.835 -11.274 -14.609 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.436 -10.374 -13.213 1.00 0.00 H new ATOM 319 N ASN A 25 3.891 -4.500 -14.558 1.00 0.00 N ATOM 320 CA ASN A 25 3.580 -3.136 -14.147 1.00 0.00 C ATOM 321 C ASN A 25 3.001 -3.112 -12.736 1.00 0.00 C ATOM 322 O ASN A 25 2.023 -2.414 -12.468 1.00 0.00 O ATOM 323 CB ASN A 25 2.592 -2.499 -15.127 1.00 0.00 C ATOM 324 CG ASN A 25 1.628 -3.510 -15.716 1.00 0.00 C ATOM 325 OD1 ASN A 25 1.877 -4.074 -16.781 1.00 0.00 O ATOM 326 ND2 ASN A 25 0.520 -3.744 -15.023 1.00 0.00 N ATOM 0 H ASN A 25 4.776 -4.599 -15.056 1.00 0.00 H new ATOM 0 HA ASN A 25 4.506 -2.562 -14.150 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.028 -1.719 -14.615 1.00 0.00 H new ATOM 0 HB3 ASN A 25 3.144 -2.016 -15.933 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.166 -4.415 -15.369 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.355 -3.253 -14.144 1.00 0.00 H new ATOM 333 N GLU A 26 3.612 -3.879 -11.838 1.00 0.00 N ATOM 334 CA GLU A 26 3.156 -3.945 -10.455 1.00 0.00 C ATOM 335 C GLU A 26 4.327 -3.790 -9.488 1.00 0.00 C ATOM 336 O GLU A 26 5.443 -4.226 -9.773 1.00 0.00 O ATOM 337 CB GLU A 26 2.437 -5.270 -10.194 1.00 0.00 C ATOM 338 CG GLU A 26 1.010 -5.302 -10.715 1.00 0.00 C ATOM 339 CD GLU A 26 0.116 -6.224 -9.910 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.552 -7.353 -9.602 1.00 0.00 O ATOM 341 OE2 GLU A 26 -1.020 -5.817 -9.587 1.00 0.00 O ATOM 0 H GLU A 26 4.423 -4.462 -12.044 1.00 0.00 H new ATOM 0 HA GLU A 26 2.459 -3.123 -10.290 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.002 -6.078 -10.658 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.427 -5.463 -9.121 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.597 -4.293 -10.695 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.014 -5.624 -11.756 1.00 0.00 H new ATOM 348 N LEU A 27 4.064 -3.165 -8.346 1.00 0.00 N ATOM 349 CA LEU A 27 5.095 -2.951 -7.336 1.00 0.00 C ATOM 350 C LEU A 27 4.848 -3.826 -6.111 1.00 0.00 C ATOM 351 O LEU A 27 3.713 -3.965 -5.653 1.00 0.00 O ATOM 352 CB LEU A 27 5.137 -1.478 -6.926 1.00 0.00 C ATOM 353 CG LEU A 27 6.359 -1.041 -6.118 1.00 0.00 C ATOM 354 CD1 LEU A 27 7.553 -0.822 -7.034 1.00 0.00 C ATOM 355 CD2 LEU A 27 6.052 0.223 -5.328 1.00 0.00 C ATOM 0 H LEU A 27 3.146 -2.797 -8.096 1.00 0.00 H new ATOM 0 HA LEU A 27 6.056 -3.228 -7.769 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.086 -0.869 -7.828 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.243 -1.258 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 27 6.608 -1.834 -5.413 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.414 -0.511 -6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.787 -1.750 -7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.315 -0.047 -7.763 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.933 0.519 -4.759 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.777 1.024 -6.015 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.225 0.033 -4.644 1.00 0.00 H new ATOM 367 N THR A 28 5.918 -4.412 -5.583 1.00 0.00 N ATOM 368 CA THR A 28 5.818 -5.272 -4.411 1.00 0.00 C ATOM 369 C THR A 28 5.840 -4.454 -3.125 1.00 0.00 C ATOM 370 O THR A 28 6.857 -3.856 -2.775 1.00 0.00 O ATOM 371 CB THR A 28 6.962 -6.302 -4.370 1.00 0.00 C ATOM 372 OG1 THR A 28 7.098 -6.935 -5.647 1.00 0.00 O ATOM 373 CG2 THR A 28 6.706 -7.354 -3.302 1.00 0.00 C ATOM 0 H THR A 28 6.864 -4.306 -5.949 1.00 0.00 H new ATOM 0 HA THR A 28 4.867 -5.799 -4.487 1.00 0.00 H new ATOM 0 HB THR A 28 7.885 -5.776 -4.125 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.829 -7.587 -5.613 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.528 -8.070 -3.292 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.633 -6.872 -2.327 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.774 -7.875 -3.520 1.00 0.00 H new ATOM 381 N VAL A 29 4.711 -4.432 -2.424 1.00 0.00 N ATOM 382 CA VAL A 29 4.601 -3.688 -1.175 1.00 0.00 C ATOM 383 C VAL A 29 4.417 -4.628 0.011 1.00 0.00 C ATOM 384 O VAL A 29 4.230 -5.833 -0.161 1.00 0.00 O ATOM 385 CB VAL A 29 3.425 -2.694 -1.215 1.00 0.00 C ATOM 386 CG1 VAL A 29 3.697 -1.586 -2.221 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.128 -3.417 -1.543 1.00 0.00 C ATOM 0 H VAL A 29 3.859 -4.921 -2.700 1.00 0.00 H new ATOM 0 HA VAL A 29 5.532 -3.134 -1.055 1.00 0.00 H new ATOM 0 HB VAL A 29 3.321 -2.240 -0.230 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.856 -0.893 -2.236 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.603 -1.051 -1.937 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.828 -2.019 -3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.308 -2.700 -1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.217 -3.900 -2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.929 -4.171 -0.781 1.00 0.00 H new ATOM 397 N THR A 30 4.471 -4.070 1.216 1.00 0.00 N ATOM 398 CA THR A 30 4.310 -4.858 2.432 1.00 0.00 C ATOM 399 C THR A 30 3.418 -4.141 3.438 1.00 0.00 C ATOM 400 O THR A 30 3.248 -2.924 3.374 1.00 0.00 O ATOM 401 CB THR A 30 5.670 -5.157 3.090 1.00 0.00 C ATOM 402 OG1 THR A 30 6.325 -3.933 3.441 1.00 0.00 O ATOM 403 CG2 THR A 30 6.559 -5.963 2.155 1.00 0.00 C ATOM 0 H THR A 30 4.625 -3.075 1.376 1.00 0.00 H new ATOM 0 HA THR A 30 3.841 -5.798 2.141 1.00 0.00 H new ATOM 0 HB THR A 30 5.490 -5.744 3.991 1.00 0.00 H new ATOM 0 HG1 THR A 30 7.188 -4.132 3.860 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.514 -6.162 2.642 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.071 -6.907 1.914 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.730 -5.398 1.239 1.00 0.00 H new ATOM 411 N GLU A 31 2.850 -4.904 4.367 1.00 0.00 N ATOM 412 CA GLU A 31 1.974 -4.340 5.388 1.00 0.00 C ATOM 413 C GLU A 31 2.751 -3.414 6.319 1.00 0.00 C ATOM 414 O GLU A 31 3.829 -3.760 6.799 1.00 0.00 O ATOM 415 CB GLU A 31 1.312 -5.457 6.197 1.00 0.00 C ATOM 416 CG GLU A 31 0.690 -4.979 7.498 1.00 0.00 C ATOM 417 CD GLU A 31 1.711 -4.815 8.607 1.00 0.00 C ATOM 418 OE1 GLU A 31 2.714 -5.559 8.605 1.00 0.00 O ATOM 419 OE2 GLU A 31 1.507 -3.941 9.476 1.00 0.00 O ATOM 0 H GLU A 31 2.981 -5.913 4.434 1.00 0.00 H new ATOM 0 HA GLU A 31 1.201 -3.758 4.887 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.541 -5.928 5.587 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.055 -6.223 6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.188 -4.027 7.328 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.073 -5.690 7.814 1.00 0.00 H new ATOM 426 N GLY A 32 2.193 -2.233 6.570 1.00 0.00 N ATOM 427 CA GLY A 32 2.846 -1.274 7.442 1.00 0.00 C ATOM 428 C GLY A 32 3.783 -0.351 6.690 1.00 0.00 C ATOM 429 O GLY A 32 4.092 0.745 7.158 1.00 0.00 O ATOM 0 H GLY A 32 1.301 -1.924 6.185 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.089 -0.680 7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.406 -1.808 8.210 1.00 0.00 H new ATOM 433 N GLU A 33 4.237 -0.794 5.522 1.00 0.00 N ATOM 434 CA GLU A 33 5.147 0.001 4.705 1.00 0.00 C ATOM 435 C GLU A 33 4.408 1.157 4.036 1.00 0.00 C ATOM 436 O GLU A 33 3.313 0.981 3.501 1.00 0.00 O ATOM 437 CB GLU A 33 5.813 -0.876 3.643 1.00 0.00 C ATOM 438 CG GLU A 33 6.629 -0.091 2.630 1.00 0.00 C ATOM 439 CD GLU A 33 8.048 0.166 3.098 1.00 0.00 C ATOM 440 OE1 GLU A 33 8.583 -0.671 3.855 1.00 0.00 O ATOM 441 OE2 GLU A 33 8.623 1.204 2.708 1.00 0.00 O ATOM 0 H GLU A 33 3.990 -1.698 5.120 1.00 0.00 H new ATOM 0 HA GLU A 33 5.915 0.413 5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.461 -1.600 4.136 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.044 -1.442 3.117 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.655 -0.638 1.687 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.137 0.862 2.433 1.00 0.00 H new ATOM 448 N ILE A 34 5.016 2.338 4.072 1.00 0.00 N ATOM 449 CA ILE A 34 4.417 3.523 3.469 1.00 0.00 C ATOM 450 C ILE A 34 5.095 3.870 2.148 1.00 0.00 C ATOM 451 O ILE A 34 6.323 3.914 2.062 1.00 0.00 O ATOM 452 CB ILE A 34 4.500 4.738 4.412 1.00 0.00 C ATOM 453 CG1 ILE A 34 3.807 4.429 5.740 1.00 0.00 C ATOM 454 CG2 ILE A 34 3.879 5.961 3.755 1.00 0.00 C ATOM 455 CD1 ILE A 34 2.302 4.319 5.625 1.00 0.00 C ATOM 0 H ILE A 34 5.922 2.500 4.512 1.00 0.00 H new ATOM 0 HA ILE A 34 3.369 3.288 3.285 1.00 0.00 H new ATOM 0 HB ILE A 34 5.550 4.952 4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.202 3.494 6.138 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.052 5.211 6.459 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.945 6.812 4.433 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.414 6.190 2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.832 5.759 3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.877 4.099 6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.895 5.261 5.257 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.048 3.518 4.931 1.00 0.00 H new ATOM 467 N ILE A 35 4.288 4.119 1.122 1.00 0.00 N ATOM 468 CA ILE A 35 4.811 4.465 -0.193 1.00 0.00 C ATOM 469 C ILE A 35 4.227 5.785 -0.686 1.00 0.00 C ATOM 470 O ILE A 35 3.358 6.373 -0.041 1.00 0.00 O ATOM 471 CB ILE A 35 4.508 3.365 -1.228 1.00 0.00 C ATOM 472 CG1 ILE A 35 2.999 3.130 -1.327 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.227 2.077 -0.857 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.564 2.552 -2.656 1.00 0.00 C ATOM 0 H ILE A 35 3.270 4.087 1.177 1.00 0.00 H new ATOM 0 HA ILE A 35 5.891 4.564 -0.087 1.00 0.00 H new ATOM 0 HB ILE A 35 4.870 3.693 -2.202 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.691 2.455 -0.528 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.481 4.075 -1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.003 1.309 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.302 2.255 -0.832 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.892 1.743 0.125 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.483 2.412 -2.655 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.841 3.236 -3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.054 1.591 -2.813 1.00 0.00 H new ATOM 486 N THR A 36 4.709 6.247 -1.836 1.00 0.00 N ATOM 487 CA THR A 36 4.236 7.497 -2.417 1.00 0.00 C ATOM 488 C THR A 36 3.189 7.240 -3.495 1.00 0.00 C ATOM 489 O THR A 36 3.422 6.475 -4.431 1.00 0.00 O ATOM 490 CB THR A 36 5.395 8.308 -3.025 1.00 0.00 C ATOM 491 OG1 THR A 36 6.399 8.549 -2.033 1.00 0.00 O ATOM 492 CG2 THR A 36 4.895 9.634 -3.580 1.00 0.00 C ATOM 0 H THR A 36 5.427 5.773 -2.384 1.00 0.00 H new ATOM 0 HA THR A 36 3.786 8.072 -1.607 1.00 0.00 H new ATOM 0 HB THR A 36 5.825 7.728 -3.842 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.133 9.064 -2.429 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.731 10.189 -4.004 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.153 9.447 -4.356 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.442 10.217 -2.778 1.00 0.00 H new ATOM 500 N VAL A 37 2.035 7.885 -3.358 1.00 0.00 N ATOM 501 CA VAL A 37 0.952 7.728 -4.322 1.00 0.00 C ATOM 502 C VAL A 37 1.075 8.740 -5.456 1.00 0.00 C ATOM 503 O VAL A 37 0.669 9.894 -5.320 1.00 0.00 O ATOM 504 CB VAL A 37 -0.425 7.890 -3.651 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.540 7.628 -4.651 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.545 6.963 -2.451 1.00 0.00 C ATOM 0 H VAL A 37 1.826 8.521 -2.589 1.00 0.00 H new ATOM 0 HA VAL A 37 1.033 6.720 -4.728 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.520 8.917 -3.298 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.505 7.747 -4.159 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.463 8.337 -5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.452 6.612 -5.036 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.524 7.091 -1.989 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.430 5.929 -2.777 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.232 7.204 -1.726 1.00 0.00 H new ATOM 516 N THR A 38 1.638 8.299 -6.577 1.00 0.00 N ATOM 517 CA THR A 38 1.815 9.165 -7.735 1.00 0.00 C ATOM 518 C THR A 38 0.558 9.197 -8.595 1.00 0.00 C ATOM 519 O THR A 38 0.281 10.188 -9.270 1.00 0.00 O ATOM 520 CB THR A 38 3.005 8.709 -8.601 1.00 0.00 C ATOM 521 OG1 THR A 38 2.825 7.345 -9.000 1.00 0.00 O ATOM 522 CG2 THR A 38 4.314 8.852 -7.841 1.00 0.00 C ATOM 0 H THR A 38 1.979 7.347 -6.707 1.00 0.00 H new ATOM 0 HA THR A 38 2.016 10.166 -7.353 1.00 0.00 H new ATOM 0 HB THR A 38 3.047 9.344 -9.486 1.00 0.00 H new ATOM 0 HG1 THR A 38 2.082 6.952 -8.496 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.139 8.524 -8.473 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.462 9.896 -7.564 1.00 0.00 H new ATOM 0 HG23 THR A 38 4.281 8.239 -6.940 1.00 0.00 H new ATOM 530 N ASN A 39 -0.202 8.107 -8.566 1.00 0.00 N ATOM 531 CA ASN A 39 -1.432 8.011 -9.344 1.00 0.00 C ATOM 532 C ASN A 39 -2.567 7.440 -8.499 1.00 0.00 C ATOM 533 O ASN A 39 -2.870 6.248 -8.545 1.00 0.00 O ATOM 534 CB ASN A 39 -1.211 7.136 -10.579 1.00 0.00 C ATOM 535 CG ASN A 39 -2.239 7.398 -11.664 1.00 0.00 C ATOM 536 OD1 ASN A 39 -2.834 8.473 -11.724 1.00 0.00 O ATOM 537 ND2 ASN A 39 -2.451 6.412 -12.528 1.00 0.00 N ATOM 0 H ASN A 39 0.012 7.278 -8.012 1.00 0.00 H new ATOM 0 HA ASN A 39 -1.710 9.015 -9.663 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.213 7.318 -10.976 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.252 6.086 -10.289 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.130 6.530 -13.280 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.934 5.537 -12.440 1.00 0.00 H new ATOM 544 N PRO A 40 -3.211 8.311 -7.708 1.00 0.00 N ATOM 545 CA PRO A 40 -4.324 7.917 -6.838 1.00 0.00 C ATOM 546 C PRO A 40 -5.577 7.557 -7.628 1.00 0.00 C ATOM 547 O PRO A 40 -6.501 6.941 -7.097 1.00 0.00 O ATOM 548 CB PRO A 40 -4.568 9.166 -5.987 1.00 0.00 C ATOM 549 CG PRO A 40 -4.065 10.295 -6.819 1.00 0.00 C ATOM 550 CD PRO A 40 -2.904 9.747 -7.602 1.00 0.00 C ATOM 0 HA PRO A 40 -4.090 7.026 -6.255 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -5.626 9.286 -5.755 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.037 9.107 -5.037 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -4.844 10.667 -7.485 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.754 11.132 -6.194 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.825 10.214 -8.583 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.957 9.919 -7.090 1.00 0.00 H new ATOM 558 N ASN A 41 -5.602 7.944 -8.899 1.00 0.00 N ATOM 559 CA ASN A 41 -6.743 7.662 -9.762 1.00 0.00 C ATOM 560 C ASN A 41 -6.283 7.124 -11.113 1.00 0.00 C ATOM 561 O ASN A 41 -6.004 7.890 -12.036 1.00 0.00 O ATOM 562 CB ASN A 41 -7.584 8.925 -9.962 1.00 0.00 C ATOM 563 CG ASN A 41 -8.908 8.636 -10.642 1.00 0.00 C ATOM 564 OD1 ASN A 41 -9.121 9.013 -11.794 1.00 0.00 O ATOM 565 ND2 ASN A 41 -9.805 7.966 -9.929 1.00 0.00 N ATOM 0 H ASN A 41 -4.845 8.454 -9.354 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.354 6.901 -9.277 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.770 9.392 -8.995 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.021 9.642 -10.559 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.715 7.744 -10.333 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.584 7.673 -8.977 1.00 0.00 H new ATOM 572 N VAL A 42 -6.207 5.802 -11.224 1.00 0.00 N ATOM 573 CA VAL A 42 -5.782 5.161 -12.463 1.00 0.00 C ATOM 574 C VAL A 42 -6.964 4.942 -13.401 1.00 0.00 C ATOM 575 O VAL A 42 -7.008 5.494 -14.499 1.00 0.00 O ATOM 576 CB VAL A 42 -5.100 3.807 -12.189 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.493 3.248 -13.467 1.00 0.00 C ATOM 578 CG2 VAL A 42 -4.042 3.954 -11.106 1.00 0.00 C ATOM 0 H VAL A 42 -6.434 5.153 -10.470 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.065 5.831 -12.937 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.854 3.104 -11.835 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.015 2.291 -13.255 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.277 3.105 -14.210 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.750 3.946 -13.853 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.570 2.988 -10.925 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.288 4.671 -11.429 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.509 4.308 -10.187 1.00 0.00 H new ATOM 588 N GLY A 43 -7.921 4.132 -12.959 1.00 0.00 N ATOM 589 CA GLY A 43 -9.092 3.854 -13.771 1.00 0.00 C ATOM 590 C GLY A 43 -10.057 2.903 -13.092 1.00 0.00 C ATOM 591 O GLY A 43 -11.152 3.298 -12.695 1.00 0.00 O ATOM 0 H GLY A 43 -7.907 3.663 -12.053 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.605 4.789 -13.994 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.777 3.428 -14.723 1.00 0.00 H new ATOM 595 N GLY A 44 -9.649 1.644 -12.958 1.00 0.00 N ATOM 596 CA GLY A 44 -10.498 0.653 -12.323 1.00 0.00 C ATOM 597 C GLY A 44 -10.416 0.702 -10.810 1.00 0.00 C ATOM 598 O GLY A 44 -10.617 -0.308 -10.138 1.00 0.00 O ATOM 0 H GLY A 44 -8.746 1.293 -13.278 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.531 0.812 -12.633 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.211 -0.341 -12.667 1.00 0.00 H new ATOM 602 N GLY A 45 -10.116 1.881 -10.273 1.00 0.00 N ATOM 603 CA GLY A 45 -10.010 2.035 -8.834 1.00 0.00 C ATOM 604 C GLY A 45 -8.624 1.706 -8.316 1.00 0.00 C ATOM 605 O GLY A 45 -8.406 1.639 -7.107 1.00 0.00 O ATOM 0 H GLY A 45 -9.945 2.732 -10.809 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.262 3.060 -8.562 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.739 1.387 -8.348 1.00 0.00 H new ATOM 609 N TRP A 46 -7.686 1.497 -9.233 1.00 0.00 N ATOM 610 CA TRP A 46 -6.314 1.170 -8.862 1.00 0.00 C ATOM 611 C TRP A 46 -5.477 2.435 -8.705 1.00 0.00 C ATOM 612 O TRP A 46 -5.847 3.502 -9.197 1.00 0.00 O ATOM 613 CB TRP A 46 -5.684 0.253 -9.911 1.00 0.00 C ATOM 614 CG TRP A 46 -6.221 -1.146 -9.877 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.530 -1.523 -9.969 1.00 0.00 C ATOM 616 CD2 TRP A 46 -5.462 -2.352 -9.738 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.631 -2.892 -9.896 1.00 0.00 N ATOM 618 CE2 TRP A 46 -6.376 -3.423 -9.755 1.00 0.00 C ATOM 619 CE3 TRP A 46 -4.100 -2.631 -9.604 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -5.969 -4.750 -9.642 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -3.698 -3.948 -9.491 1.00 0.00 C ATOM 622 CH2 TRP A 46 -4.629 -4.994 -9.511 1.00 0.00 C ATOM 0 H TRP A 46 -7.850 1.548 -10.238 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.337 0.651 -7.904 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -5.854 0.676 -10.901 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.605 0.224 -9.757 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.363 -0.845 -10.082 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -8.499 -3.426 -9.940 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.374 -1.832 -9.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -6.686 -5.558 -9.657 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -2.647 -4.175 -9.385 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.283 -6.013 -9.421 1.00 0.00 H new ATOM 633 N LEU A 47 -4.346 2.310 -8.019 1.00 0.00 N ATOM 634 CA LEU A 47 -3.455 3.444 -7.799 1.00 0.00 C ATOM 635 C LEU A 47 -2.011 3.071 -8.116 1.00 0.00 C ATOM 636 O LEU A 47 -1.604 1.923 -7.942 1.00 0.00 O ATOM 637 CB LEU A 47 -3.563 3.928 -6.352 1.00 0.00 C ATOM 638 CG LEU A 47 -3.111 2.938 -5.277 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.599 2.979 -5.116 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.799 3.238 -3.953 1.00 0.00 C ATOM 0 H LEU A 47 -4.024 1.435 -7.606 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.758 4.249 -8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.973 4.839 -6.250 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.601 4.197 -6.156 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.395 1.934 -5.592 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.296 2.268 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.125 2.715 -6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.291 3.983 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.466 2.524 -3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.546 4.249 -3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.879 3.157 -4.077 1.00 0.00 H new ATOM 652 N GLU A 48 -1.241 4.051 -8.580 1.00 0.00 N ATOM 653 CA GLU A 48 0.159 3.825 -8.920 1.00 0.00 C ATOM 654 C GLU A 48 1.079 4.382 -7.838 1.00 0.00 C ATOM 655 O GLU A 48 1.037 5.571 -7.523 1.00 0.00 O ATOM 656 CB GLU A 48 0.490 4.469 -10.268 1.00 0.00 C ATOM 657 CG GLU A 48 1.657 3.813 -10.986 1.00 0.00 C ATOM 658 CD GLU A 48 1.853 4.348 -12.392 1.00 0.00 C ATOM 659 OE1 GLU A 48 0.843 4.518 -13.107 1.00 0.00 O ATOM 660 OE2 GLU A 48 3.014 4.597 -12.776 1.00 0.00 O ATOM 0 H GLU A 48 -1.563 5.007 -8.729 1.00 0.00 H new ATOM 0 HA GLU A 48 0.320 2.749 -8.990 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.391 4.424 -10.908 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.717 5.523 -10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.569 3.972 -10.410 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.492 2.736 -11.031 1.00 0.00 H new ATOM 667 N GLY A 49 1.910 3.513 -7.270 1.00 0.00 N ATOM 668 CA GLY A 49 2.828 3.936 -6.228 1.00 0.00 C ATOM 669 C GLY A 49 4.276 3.875 -6.672 1.00 0.00 C ATOM 670 O GLY A 49 4.657 3.006 -7.457 1.00 0.00 O ATOM 0 H GLY A 49 1.964 2.524 -7.513 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.586 4.955 -5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.693 3.304 -5.350 1.00 0.00 H new ATOM 674 N LYS A 50 5.087 4.800 -6.169 1.00 0.00 N ATOM 675 CA LYS A 50 6.502 4.849 -6.517 1.00 0.00 C ATOM 676 C LYS A 50 7.373 4.609 -5.288 1.00 0.00 C ATOM 677 O LYS A 50 7.297 5.348 -4.308 1.00 0.00 O ATOM 678 CB LYS A 50 6.847 6.201 -7.144 1.00 0.00 C ATOM 679 CG LYS A 50 8.246 6.259 -7.734 1.00 0.00 C ATOM 680 CD LYS A 50 8.415 7.458 -8.652 1.00 0.00 C ATOM 681 CE LYS A 50 9.883 7.766 -8.901 1.00 0.00 C ATOM 682 NZ LYS A 50 10.515 8.437 -7.732 1.00 0.00 N ATOM 0 H LYS A 50 4.788 5.526 -5.518 1.00 0.00 H new ATOM 0 HA LYS A 50 6.700 4.059 -7.241 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.122 6.425 -7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 50 6.749 6.979 -6.387 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.979 6.310 -6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.446 5.343 -8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.917 7.264 -9.602 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.930 8.328 -8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.416 6.841 -9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.976 8.404 -9.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.486 8.084 -7.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.537 9.464 -7.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.964 8.232 -6.874 1.00 0.00 H new ATOM 696 N ASN A 51 8.202 3.572 -5.350 1.00 0.00 N ATOM 697 CA ASN A 51 9.088 3.236 -4.242 1.00 0.00 C ATOM 698 C ASN A 51 10.366 4.068 -4.296 1.00 0.00 C ATOM 699 O ASN A 51 10.601 4.802 -5.255 1.00 0.00 O ATOM 700 CB ASN A 51 9.436 1.746 -4.273 1.00 0.00 C ATOM 701 CG ASN A 51 10.346 1.388 -5.432 1.00 0.00 C ATOM 702 OD1 ASN A 51 10.912 2.265 -6.085 1.00 0.00 O ATOM 703 ND2 ASN A 51 10.491 0.094 -5.693 1.00 0.00 N ATOM 0 H ASN A 51 8.279 2.950 -6.155 1.00 0.00 H new ATOM 0 HA ASN A 51 8.567 3.462 -3.312 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.920 1.469 -3.336 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.518 1.163 -4.342 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.091 -0.207 -6.461 1.00 0.00 H new ATOM 0 HD22 ASN A 51 10.003 -0.599 -5.125 1.00 0.00 H new ATOM 710 N ASN A 52 11.189 3.947 -3.259 1.00 0.00 N ATOM 711 CA ASN A 52 12.443 4.688 -3.188 1.00 0.00 C ATOM 712 C ASN A 52 13.309 4.409 -4.412 1.00 0.00 C ATOM 713 O ASN A 52 13.910 5.320 -4.982 1.00 0.00 O ATOM 714 CB ASN A 52 13.206 4.320 -1.914 1.00 0.00 C ATOM 715 CG ASN A 52 12.708 5.082 -0.701 1.00 0.00 C ATOM 716 OD1 ASN A 52 11.987 6.071 -0.828 1.00 0.00 O ATOM 717 ND2 ASN A 52 13.093 4.623 0.485 1.00 0.00 N ATOM 0 H ASN A 52 11.010 3.343 -2.457 1.00 0.00 H new ATOM 0 HA ASN A 52 12.207 5.752 -3.167 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.109 3.250 -1.732 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.267 4.524 -2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.790 5.095 1.337 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.691 3.799 0.543 1.00 0.00 H new ATOM 724 N LYS A 53 13.369 3.144 -4.811 1.00 0.00 N ATOM 725 CA LYS A 53 14.160 2.743 -5.969 1.00 0.00 C ATOM 726 C LYS A 53 13.820 3.600 -7.184 1.00 0.00 C ATOM 727 O LYS A 53 14.599 3.688 -8.132 1.00 0.00 O ATOM 728 CB LYS A 53 13.920 1.266 -6.290 1.00 0.00 C ATOM 729 CG LYS A 53 14.696 0.315 -5.396 1.00 0.00 C ATOM 730 CD LYS A 53 14.131 -1.095 -5.458 1.00 0.00 C ATOM 731 CE LYS A 53 14.408 -1.863 -4.175 1.00 0.00 C ATOM 732 NZ LYS A 53 15.769 -2.468 -4.174 1.00 0.00 N ATOM 0 H LYS A 53 12.879 2.378 -4.350 1.00 0.00 H new ATOM 0 HA LYS A 53 15.213 2.889 -5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.855 1.051 -6.197 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.194 1.080 -7.329 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.743 0.302 -5.699 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.666 0.675 -4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.056 -1.050 -5.631 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.568 -1.627 -6.303 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.308 -1.192 -3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.661 -2.648 -4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 15.919 -2.983 -3.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.856 -3.127 -4.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 16.483 -1.717 -4.265 1.00 0.00 H new ATOM 746 N GLY A 54 12.651 4.233 -7.147 1.00 0.00 N ATOM 747 CA GLY A 54 12.230 5.076 -8.251 1.00 0.00 C ATOM 748 C GLY A 54 11.318 4.351 -9.220 1.00 0.00 C ATOM 749 O GLY A 54 10.931 4.903 -10.249 1.00 0.00 O ATOM 0 H GLY A 54 11.989 4.177 -6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.714 5.953 -7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.109 5.436 -8.785 1.00 0.00 H new ATOM 753 N GLU A 55 10.975 3.109 -8.891 1.00 0.00 N ATOM 754 CA GLU A 55 10.104 2.306 -9.742 1.00 0.00 C ATOM 755 C GLU A 55 8.637 2.643 -9.491 1.00 0.00 C ATOM 756 O GLU A 55 8.241 2.931 -8.362 1.00 0.00 O ATOM 757 CB GLU A 55 10.347 0.816 -9.496 1.00 0.00 C ATOM 758 CG GLU A 55 11.700 0.330 -9.985 1.00 0.00 C ATOM 759 CD GLU A 55 11.920 -1.147 -9.723 1.00 0.00 C ATOM 760 OE1 GLU A 55 11.496 -1.630 -8.653 1.00 0.00 O ATOM 761 OE2 GLU A 55 12.516 -1.821 -10.590 1.00 0.00 O ATOM 0 H GLU A 55 11.287 2.637 -8.042 1.00 0.00 H new ATOM 0 HA GLU A 55 10.339 2.538 -10.781 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.263 0.614 -8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.564 0.242 -9.992 1.00 0.00 H new ATOM 0 HG2 GLU A 55 11.786 0.522 -11.055 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.487 0.903 -9.494 1.00 0.00 H new ATOM 768 N GLN A 56 7.838 2.604 -10.552 1.00 0.00 N ATOM 769 CA GLN A 56 6.415 2.906 -10.447 1.00 0.00 C ATOM 770 C GLN A 56 5.572 1.740 -10.953 1.00 0.00 C ATOM 771 O GLN A 56 5.722 1.301 -12.092 1.00 0.00 O ATOM 772 CB GLN A 56 6.081 4.173 -11.237 1.00 0.00 C ATOM 773 CG GLN A 56 6.242 5.452 -10.431 1.00 0.00 C ATOM 774 CD GLN A 56 6.366 6.683 -11.308 1.00 0.00 C ATOM 775 OE1 GLN A 56 7.235 6.755 -12.177 1.00 0.00 O ATOM 776 NE2 GLN A 56 5.494 7.659 -11.086 1.00 0.00 N ATOM 0 H GLN A 56 8.151 2.367 -11.493 1.00 0.00 H new ATOM 0 HA GLN A 56 6.181 3.070 -9.395 1.00 0.00 H new ATOM 0 HB2 GLN A 56 6.724 4.224 -12.116 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.054 4.107 -11.597 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.386 5.569 -9.767 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.127 5.370 -9.799 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.790 7.557 -10.355 1.00 0.00 H new ATOM 0 HE22 GLN A 56 5.528 8.511 -11.646 1.00 0.00 H new ATOM 785 N GLY A 57 4.685 1.243 -10.097 1.00 0.00 N ATOM 786 CA GLY A 57 3.831 0.131 -10.476 1.00 0.00 C ATOM 787 C GLY A 57 2.398 0.321 -10.022 1.00 0.00 C ATOM 788 O GLY A 57 2.098 1.231 -9.248 1.00 0.00 O ATOM 0 H GLY A 57 4.542 1.590 -9.148 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.853 0.012 -11.559 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.226 -0.790 -10.046 1.00 0.00 H new ATOM 792 N LEU A 58 1.507 -0.539 -10.505 1.00 0.00 N ATOM 793 CA LEU A 58 0.096 -0.461 -10.146 1.00 0.00 C ATOM 794 C LEU A 58 -0.192 -1.277 -8.890 1.00 0.00 C ATOM 795 O LEU A 58 0.329 -2.380 -8.720 1.00 0.00 O ATOM 796 CB LEU A 58 -0.773 -0.960 -11.302 1.00 0.00 C ATOM 797 CG LEU A 58 -0.735 -0.121 -12.580 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.363 -0.883 -13.737 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.445 1.208 -12.367 1.00 0.00 C ATOM 0 H LEU A 58 1.737 -1.298 -11.146 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.145 0.582 -9.943 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.466 -1.976 -11.549 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.806 -1.014 -10.957 1.00 0.00 H new ATOM 0 HG LEU A 58 0.307 0.082 -12.828 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.327 -0.271 -14.638 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.812 -1.808 -13.905 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.401 -1.117 -13.498 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.408 1.792 -13.287 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.485 1.026 -12.095 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.952 1.760 -11.567 1.00 0.00 H new ATOM 811 N VAL A 59 -1.027 -0.729 -8.013 1.00 0.00 N ATOM 812 CA VAL A 59 -1.388 -1.408 -6.774 1.00 0.00 C ATOM 813 C VAL A 59 -2.874 -1.250 -6.473 1.00 0.00 C ATOM 814 O VAL A 59 -3.458 -0.181 -6.651 1.00 0.00 O ATOM 815 CB VAL A 59 -0.574 -0.869 -5.582 1.00 0.00 C ATOM 816 CG1 VAL A 59 -1.024 -1.527 -4.287 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.914 -1.088 -5.811 1.00 0.00 C ATOM 0 H VAL A 59 -1.466 0.183 -8.137 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.159 -2.465 -6.914 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.752 0.203 -5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.438 -1.134 -3.456 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.080 -1.315 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.877 -2.605 -4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.474 -0.701 -4.959 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.112 -2.154 -5.922 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.224 -0.566 -6.716 1.00 0.00 H new ATOM 827 N PRO A 60 -3.502 -2.339 -6.005 1.00 0.00 N ATOM 828 CA PRO A 60 -4.929 -2.346 -5.668 1.00 0.00 C ATOM 829 C PRO A 60 -5.235 -1.516 -4.427 1.00 0.00 C ATOM 830 O PRO A 60 -4.662 -1.739 -3.360 1.00 0.00 O ATOM 831 CB PRO A 60 -5.224 -3.825 -5.409 1.00 0.00 C ATOM 832 CG PRO A 60 -3.914 -4.408 -5.003 1.00 0.00 C ATOM 833 CD PRO A 60 -2.868 -3.646 -5.769 1.00 0.00 C ATOM 0 HA PRO A 60 -5.538 -1.908 -6.459 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.972 -3.948 -4.626 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.615 -4.313 -6.302 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.759 -4.311 -3.928 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.871 -5.472 -5.236 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.944 -3.547 -5.198 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.613 -4.144 -6.705 1.00 0.00 H new ATOM 841 N THR A 61 -6.144 -0.556 -4.572 1.00 0.00 N ATOM 842 CA THR A 61 -6.527 0.308 -3.462 1.00 0.00 C ATOM 843 C THR A 61 -7.165 -0.495 -2.335 1.00 0.00 C ATOM 844 O THR A 61 -7.285 -0.013 -1.208 1.00 0.00 O ATOM 845 CB THR A 61 -7.509 1.404 -3.917 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.737 0.811 -4.353 1.00 0.00 O ATOM 847 CG2 THR A 61 -6.912 2.232 -5.044 1.00 0.00 C ATOM 0 H THR A 61 -6.628 -0.358 -5.447 1.00 0.00 H new ATOM 0 HA THR A 61 -5.614 0.778 -3.097 1.00 0.00 H new ATOM 0 HB THR A 61 -7.704 2.061 -3.069 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.854 0.970 -5.313 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.624 2.999 -5.348 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.993 2.706 -4.700 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.691 1.585 -5.893 1.00 0.00 H new ATOM 855 N ASP A 62 -7.573 -1.720 -2.645 1.00 0.00 N ATOM 856 CA ASP A 62 -8.198 -2.591 -1.656 1.00 0.00 C ATOM 857 C ASP A 62 -7.174 -3.076 -0.634 1.00 0.00 C ATOM 858 O ASP A 62 -7.476 -3.198 0.553 1.00 0.00 O ATOM 859 CB ASP A 62 -8.857 -3.788 -2.343 1.00 0.00 C ATOM 860 CG ASP A 62 -9.791 -3.371 -3.462 1.00 0.00 C ATOM 861 OD1 ASP A 62 -9.294 -3.052 -4.563 1.00 0.00 O ATOM 862 OD2 ASP A 62 -11.019 -3.365 -3.238 1.00 0.00 O ATOM 0 H ASP A 62 -7.482 -2.133 -3.573 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.962 -2.016 -1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.084 -4.444 -2.744 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.414 -4.366 -1.605 1.00 0.00 H new ATOM 867 N TYR A 63 -5.963 -3.352 -1.104 1.00 0.00 N ATOM 868 CA TYR A 63 -4.895 -3.827 -0.232 1.00 0.00 C ATOM 869 C TYR A 63 -4.297 -2.677 0.573 1.00 0.00 C ATOM 870 O TYR A 63 -3.985 -2.828 1.755 1.00 0.00 O ATOM 871 CB TYR A 63 -3.801 -4.510 -1.055 1.00 0.00 C ATOM 872 CG TYR A 63 -4.180 -5.892 -1.537 1.00 0.00 C ATOM 873 CD1 TYR A 63 -5.335 -6.097 -2.282 1.00 0.00 C ATOM 874 CD2 TYR A 63 -3.385 -6.993 -1.246 1.00 0.00 C ATOM 875 CE1 TYR A 63 -5.686 -7.358 -2.723 1.00 0.00 C ATOM 876 CE2 TYR A 63 -3.727 -8.258 -1.685 1.00 0.00 C ATOM 877 CZ TYR A 63 -4.878 -8.435 -2.423 1.00 0.00 C ATOM 878 OH TYR A 63 -5.223 -9.694 -2.861 1.00 0.00 O ATOM 0 H TYR A 63 -5.696 -3.255 -2.084 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.323 -4.550 0.463 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.563 -3.886 -1.917 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.895 -4.580 -0.453 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.969 -5.256 -2.520 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -2.484 -6.858 -0.666 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -6.588 -7.500 -3.300 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -3.096 -9.103 -1.451 1.00 0.00 H new ATOM 0 HH TYR A 63 -4.548 -10.340 -2.566 1.00 0.00 H new ATOM 888 N VAL A 64 -4.142 -1.527 -0.075 1.00 0.00 N ATOM 889 CA VAL A 64 -3.584 -0.350 0.580 1.00 0.00 C ATOM 890 C VAL A 64 -4.581 0.803 0.581 1.00 0.00 C ATOM 891 O VAL A 64 -5.115 1.174 -0.464 1.00 0.00 O ATOM 892 CB VAL A 64 -2.284 0.110 -0.106 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.430 -1.088 -0.492 1.00 0.00 C ATOM 894 CG2 VAL A 64 -2.598 0.965 -1.324 1.00 0.00 C ATOM 0 H VAL A 64 -4.395 -1.385 -1.053 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.362 -0.635 1.608 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.717 0.717 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.516 -0.743 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.175 -1.656 0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.986 -1.725 -1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.668 1.281 -1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.186 0.384 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.165 1.843 -1.016 1.00 0.00 H new ATOM 904 N GLU A 65 -4.826 1.366 1.760 1.00 0.00 N ATOM 905 CA GLU A 65 -5.760 2.477 1.895 1.00 0.00 C ATOM 906 C GLU A 65 -5.015 3.786 2.146 1.00 0.00 C ATOM 907 O GLU A 65 -4.151 3.863 3.019 1.00 0.00 O ATOM 908 CB GLU A 65 -6.742 2.210 3.037 1.00 0.00 C ATOM 909 CG GLU A 65 -7.902 3.191 3.084 1.00 0.00 C ATOM 910 CD GLU A 65 -9.018 2.821 2.126 1.00 0.00 C ATOM 911 OE1 GLU A 65 -9.881 2.003 2.506 1.00 0.00 O ATOM 912 OE2 GLU A 65 -9.027 3.351 0.995 1.00 0.00 O ATOM 0 H GLU A 65 -4.391 1.071 2.634 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.315 2.568 0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.136 1.199 2.937 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.204 2.250 3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.298 3.232 4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.538 4.190 2.844 1.00 0.00 H new ATOM 919 N ILE A 66 -5.357 4.811 1.373 1.00 0.00 N ATOM 920 CA ILE A 66 -4.722 6.116 1.511 1.00 0.00 C ATOM 921 C ILE A 66 -5.114 6.781 2.827 1.00 0.00 C ATOM 922 O ILE A 66 -6.258 6.679 3.270 1.00 0.00 O ATOM 923 CB ILE A 66 -5.096 7.050 0.345 1.00 0.00 C ATOM 924 CG1 ILE A 66 -4.750 6.395 -0.993 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.383 8.386 0.487 1.00 0.00 C ATOM 926 CD1 ILE A 66 -5.226 7.183 -2.193 1.00 0.00 C ATOM 0 H ILE A 66 -6.070 4.763 0.645 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.645 5.947 1.499 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.171 7.229 0.373 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.669 6.268 -1.057 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.190 5.398 -1.025 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.657 9.035 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -4.675 8.856 1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.305 8.225 0.481 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.946 6.659 -3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.310 7.288 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.765 8.171 -2.186 1.00 0.00 H new ATOM 938 N LEU A 67 -4.157 7.464 3.445 1.00 0.00 N ATOM 939 CA LEU A 67 -4.401 8.150 4.710 1.00 0.00 C ATOM 940 C LEU A 67 -4.673 9.633 4.482 1.00 0.00 C ATOM 941 O LEU A 67 -4.177 10.242 3.534 1.00 0.00 O ATOM 942 CB LEU A 67 -3.204 7.977 5.646 1.00 0.00 C ATOM 943 CG LEU A 67 -2.630 6.563 5.747 1.00 0.00 C ATOM 944 CD1 LEU A 67 -1.207 6.602 6.283 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.511 5.692 6.632 1.00 0.00 C ATOM 0 H LEU A 67 -3.205 7.558 3.091 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.282 7.705 5.172 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.410 8.647 5.316 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.499 8.300 6.644 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.609 6.128 4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.815 5.587 6.348 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.581 7.190 5.612 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.204 7.056 7.274 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.088 4.689 6.693 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.564 6.125 7.631 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.513 5.638 6.207 1.00 0.00 H new ATOM 957 N PRO A 68 -5.478 10.231 5.372 1.00 0.00 N ATOM 958 CA PRO A 68 -5.832 11.651 5.291 1.00 0.00 C ATOM 959 C PRO A 68 -4.650 12.562 5.602 1.00 0.00 C ATOM 960 O PRO A 68 -4.411 13.546 4.904 1.00 0.00 O ATOM 961 CB PRO A 68 -6.922 11.807 6.355 1.00 0.00 C ATOM 962 CG PRO A 68 -6.658 10.711 7.330 1.00 0.00 C ATOM 963 CD PRO A 68 -6.105 9.566 6.527 1.00 0.00 C ATOM 0 HA PRO A 68 -6.153 11.934 4.288 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -6.870 12.785 6.834 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.917 11.718 5.919 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -5.949 11.031 8.094 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.573 10.420 7.846 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.380 8.987 7.099 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.890 8.877 6.216 1.00 0.00 H new ATOM 971 N ASN A 69 -3.912 12.227 6.656 1.00 0.00 N ATOM 972 CA ASN A 69 -2.753 13.015 7.059 1.00 0.00 C ATOM 973 C ASN A 69 -1.607 12.111 7.502 1.00 0.00 C ATOM 974 O ASN A 69 -1.830 11.011 8.009 1.00 0.00 O ATOM 975 CB ASN A 69 -3.130 13.971 8.193 1.00 0.00 C ATOM 976 CG ASN A 69 -2.203 15.168 8.273 1.00 0.00 C ATOM 977 OD1 ASN A 69 -2.473 16.217 7.689 1.00 0.00 O ATOM 978 ND2 ASN A 69 -1.101 15.015 8.999 1.00 0.00 N ATOM 0 H ASN A 69 -4.096 11.416 7.246 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.422 13.595 6.197 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.153 14.317 8.048 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.107 13.433 9.141 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.439 15.785 9.089 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.917 14.127 9.466 1.00 0.00 H new ATOM 985 N ASP A 70 -0.380 12.581 7.307 1.00 0.00 N ATOM 986 CA ASP A 70 0.802 11.816 7.687 1.00 0.00 C ATOM 987 C ASP A 70 1.954 12.745 8.058 1.00 0.00 C ATOM 988 O ASP A 70 2.286 13.667 7.314 1.00 0.00 O ATOM 989 CB ASP A 70 1.225 10.890 6.546 1.00 0.00 C ATOM 990 CG ASP A 70 2.083 9.736 7.025 1.00 0.00 C ATOM 991 OD1 ASP A 70 3.322 9.892 7.060 1.00 0.00 O ATOM 992 OD2 ASP A 70 1.517 8.677 7.367 1.00 0.00 O ATOM 0 H ASP A 70 -0.178 13.489 6.888 1.00 0.00 H new ATOM 0 HA ASP A 70 0.549 11.213 8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.336 10.497 6.052 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.776 11.464 5.801 1.00 0.00 H new ATOM 997 N GLY A 71 2.559 12.495 9.216 1.00 0.00 N ATOM 998 CA GLY A 71 3.667 13.318 9.666 1.00 0.00 C ATOM 999 C GLY A 71 4.388 12.718 10.857 1.00 0.00 C ATOM 1000 O GLY A 71 4.367 11.504 11.058 1.00 0.00 O ATOM 0 H GLY A 71 2.302 11.738 9.850 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.373 13.451 8.847 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.296 14.308 9.931 1.00 0.00 H new ATOM 1004 N LYS A 72 5.030 13.571 11.649 1.00 0.00 N ATOM 1005 CA LYS A 72 5.762 13.119 12.826 1.00 0.00 C ATOM 1006 C LYS A 72 4.807 12.811 13.975 1.00 0.00 C ATOM 1007 O LYS A 72 4.193 13.713 14.544 1.00 0.00 O ATOM 1008 CB LYS A 72 6.774 14.181 13.261 1.00 0.00 C ATOM 1009 CG LYS A 72 7.662 14.674 12.132 1.00 0.00 C ATOM 1010 CD LYS A 72 8.923 13.835 12.008 1.00 0.00 C ATOM 1011 CE LYS A 72 9.992 14.286 12.992 1.00 0.00 C ATOM 1012 NZ LYS A 72 9.718 13.797 14.371 1.00 0.00 N ATOM 0 H LYS A 72 5.058 14.579 11.497 1.00 0.00 H new ATOM 0 HA LYS A 72 6.294 12.205 12.564 1.00 0.00 H new ATOM 0 HB2 LYS A 72 6.238 15.029 13.687 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.401 13.771 14.052 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.109 14.643 11.193 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.932 15.715 12.308 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.683 12.787 12.185 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.310 13.906 10.991 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.965 13.921 12.664 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.045 15.375 12.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.614 13.708 14.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.098 14.472 14.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.251 12.869 14.324 1.00 0.00 H new ATOM 1026 N ASP A 73 4.688 11.531 14.312 1.00 0.00 N ATOM 1027 CA ASP A 73 3.810 11.104 15.395 1.00 0.00 C ATOM 1028 C ASP A 73 4.580 10.995 16.707 1.00 0.00 C ATOM 1029 O ASP A 73 5.775 10.698 16.732 1.00 0.00 O ATOM 1030 CB ASP A 73 3.164 9.760 15.056 1.00 0.00 C ATOM 1031 CG ASP A 73 4.183 8.649 14.903 1.00 0.00 C ATOM 1032 OD1 ASP A 73 4.784 8.250 15.923 1.00 0.00 O ATOM 1033 OD2 ASP A 73 4.380 8.178 13.764 1.00 0.00 O ATOM 0 H ASP A 73 5.189 10.771 13.851 1.00 0.00 H new ATOM 0 HA ASP A 73 3.029 11.855 15.514 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.455 9.493 15.840 1.00 0.00 H new ATOM 0 HB3 ASP A 73 2.595 9.857 14.131 1.00 0.00 H new ATOM 1038 N PRO A 74 3.882 11.242 17.826 1.00 0.00 N ATOM 1039 CA PRO A 74 4.480 11.179 19.163 1.00 0.00 C ATOM 1040 C PRO A 74 4.825 9.752 19.576 1.00 0.00 C ATOM 1041 O PRO A 74 4.062 8.820 19.323 1.00 0.00 O ATOM 1042 CB PRO A 74 3.384 11.747 20.068 1.00 0.00 C ATOM 1043 CG PRO A 74 2.114 11.494 19.332 1.00 0.00 C ATOM 1044 CD PRO A 74 2.454 11.601 17.871 1.00 0.00 C ATOM 0 HA PRO A 74 5.421 11.726 19.215 1.00 0.00 H new ATOM 0 HB2 PRO A 74 3.381 11.257 21.042 1.00 0.00 H new ATOM 0 HB3 PRO A 74 3.532 12.812 20.248 1.00 0.00 H new ATOM 0 HG2 PRO A 74 1.716 10.507 19.569 1.00 0.00 H new ATOM 0 HG3 PRO A 74 1.351 12.221 19.609 1.00 0.00 H new ATOM 0 HD2 PRO A 74 1.850 10.924 17.267 1.00 0.00 H new ATOM 0 HD3 PRO A 74 2.280 12.608 17.491 1.00 0.00 H new ATOM 1052 N PHE A 75 5.979 9.589 20.214 1.00 0.00 N ATOM 1053 CA PHE A 75 6.426 8.275 20.662 1.00 0.00 C ATOM 1054 C PHE A 75 6.887 8.324 22.116 1.00 0.00 C ATOM 1055 O PHE A 75 7.245 9.384 22.629 1.00 0.00 O ATOM 1056 CB PHE A 75 7.562 7.768 19.772 1.00 0.00 C ATOM 1057 CG PHE A 75 8.909 8.318 20.147 1.00 0.00 C ATOM 1058 CD1 PHE A 75 9.160 9.678 20.079 1.00 0.00 C ATOM 1059 CD2 PHE A 75 9.924 7.473 20.568 1.00 0.00 C ATOM 1060 CE1 PHE A 75 10.398 10.187 20.424 1.00 0.00 C ATOM 1061 CE2 PHE A 75 11.163 7.976 20.915 1.00 0.00 C ATOM 1062 CZ PHE A 75 11.401 9.335 20.841 1.00 0.00 C ATOM 0 H PHE A 75 6.622 10.350 20.433 1.00 0.00 H new ATOM 0 HA PHE A 75 5.583 7.588 20.589 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.596 6.680 19.824 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.347 8.031 18.736 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.379 10.349 19.753 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.744 6.410 20.625 1.00 0.00 H new ATOM 0 HE1 PHE A 75 10.580 11.250 20.367 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.945 7.308 21.244 1.00 0.00 H new ATOM 0 HZ PHE A 75 12.370 9.730 21.109 1.00 0.00 H new ATOM 1072 N SER A 76 6.875 7.169 22.773 1.00 0.00 N ATOM 1073 CA SER A 76 7.287 7.080 24.169 1.00 0.00 C ATOM 1074 C SER A 76 8.646 6.397 24.292 1.00 0.00 C ATOM 1075 O SER A 76 9.545 6.896 24.971 1.00 0.00 O ATOM 1076 CB SER A 76 6.244 6.313 24.984 1.00 0.00 C ATOM 1077 OG SER A 76 5.114 7.124 25.257 1.00 0.00 O ATOM 0 H SER A 76 6.585 6.282 22.361 1.00 0.00 H new ATOM 0 HA SER A 76 7.371 8.093 24.562 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.933 5.423 24.437 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.687 5.974 25.920 1.00 0.00 H new ATOM 0 HG SER A 76 4.461 6.611 25.777 1.00 0.00 H new ATOM 1083 N CYS A 77 8.789 5.254 23.630 1.00 0.00 N ATOM 1084 CA CYS A 77 10.037 4.501 23.665 1.00 0.00 C ATOM 1085 C CYS A 77 11.121 5.207 22.856 1.00 0.00 C ATOM 1086 O CYS A 77 12.099 4.589 22.438 1.00 0.00 O ATOM 1087 CB CYS A 77 9.820 3.087 23.124 1.00 0.00 C ATOM 1088 SG CYS A 77 10.983 1.863 23.769 1.00 0.00 S ATOM 0 H CYS A 77 8.056 4.829 23.063 1.00 0.00 H new ATOM 0 HA CYS A 77 10.365 4.439 24.702 1.00 0.00 H new ATOM 0 HB2 CYS A 77 8.805 2.770 23.364 1.00 0.00 H new ATOM 0 HB3 CYS A 77 9.899 3.109 22.037 1.00 0.00 H new ATOM 0 HG CYS A 77 10.717 0.699 23.255 1.00 0.00 H new TER 1094 CYS A 77