USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 503 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 150:sc= 0.00763 (180deg=0) USER MOD Single : A 2 SER OG : rot 51:sc= 0.228 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0452) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0147 X(o=-0.015,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.0381 K(o=-0.038,f=-1.5!) USER MOD Single : A 25 SER OG : rot 45:sc= 0.0516 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00468 K(o=-0.0047,f=-0.91) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0596 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.025 K(o=-0.025,f=-1.5) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.103 USER MOD Single : A 56 CYS SG : rot -103:sc= 0.0713 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0226 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.167 13.289 -18.348 1.00 0.00 N ATOM 2 CA GLY A 1 1.880 13.266 -17.674 1.00 0.00 C ATOM 3 C GLY A 1 1.741 12.019 -16.799 1.00 0.00 C ATOM 4 O GLY A 1 2.122 10.923 -17.209 1.00 0.00 O ATOM 0 H1 GLY A 1 3.074 13.787 -19.256 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.862 13.782 -17.752 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.487 12.314 -18.519 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.771 14.160 -17.059 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.078 13.288 -18.412 1.00 0.00 H new ATOM 8 N SER A 2 1.196 12.226 -15.609 1.00 0.00 N ATOM 9 CA SER A 2 1.002 11.132 -14.673 1.00 0.00 C ATOM 10 C SER A 2 0.100 11.581 -13.522 1.00 0.00 C ATOM 11 O SER A 2 -0.106 12.777 -13.321 1.00 0.00 O ATOM 12 CB SER A 2 2.341 10.627 -14.132 1.00 0.00 C ATOM 13 OG SER A 2 2.739 9.405 -14.748 1.00 0.00 O ATOM 0 H SER A 2 0.882 13.136 -15.272 1.00 0.00 H new ATOM 0 HA SER A 2 0.521 10.310 -15.203 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.108 11.384 -14.299 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.265 10.482 -13.054 1.00 0.00 H new ATOM 0 HG SER A 2 2.685 9.497 -15.722 1.00 0.00 H new ATOM 19 N SER A 3 -0.414 10.599 -12.797 1.00 0.00 N ATOM 20 CA SER A 3 -1.290 10.878 -11.672 1.00 0.00 C ATOM 21 C SER A 3 -0.507 11.582 -10.562 1.00 0.00 C ATOM 22 O SER A 3 0.707 11.416 -10.453 1.00 0.00 O ATOM 23 CB SER A 3 -1.929 9.594 -11.139 1.00 0.00 C ATOM 24 OG SER A 3 -2.767 8.972 -12.110 1.00 0.00 O ATOM 0 H SER A 3 -0.241 9.608 -12.967 1.00 0.00 H new ATOM 0 HA SER A 3 -2.090 11.534 -12.016 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.147 8.898 -10.836 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.514 9.823 -10.248 1.00 0.00 H new ATOM 0 HG SER A 3 -3.155 8.155 -11.732 1.00 0.00 H new ATOM 30 N GLY A 4 -1.233 12.352 -9.765 1.00 0.00 N ATOM 31 CA GLY A 4 -0.622 13.081 -8.667 1.00 0.00 C ATOM 32 C GLY A 4 -0.763 12.312 -7.352 1.00 0.00 C ATOM 33 O GLY A 4 -0.838 11.084 -7.352 1.00 0.00 O ATOM 0 H GLY A 4 -2.240 12.487 -9.858 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.433 13.251 -8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.090 14.061 -8.571 1.00 0.00 H new ATOM 37 N SER A 5 -0.795 13.066 -6.263 1.00 0.00 N ATOM 38 CA SER A 5 -0.927 12.471 -4.944 1.00 0.00 C ATOM 39 C SER A 5 0.098 11.347 -4.773 1.00 0.00 C ATOM 40 O SER A 5 -0.138 10.218 -5.200 1.00 0.00 O ATOM 41 CB SER A 5 -2.343 11.937 -4.719 1.00 0.00 C ATOM 42 OG SER A 5 -3.119 12.810 -3.903 1.00 0.00 O ATOM 0 H SER A 5 -0.732 14.084 -6.267 1.00 0.00 H new ATOM 0 HA SER A 5 -0.738 13.244 -4.199 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.838 11.805 -5.681 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.290 10.954 -4.250 1.00 0.00 H new ATOM 0 HG SER A 5 -4.017 12.435 -3.784 1.00 0.00 H new ATOM 48 N SER A 6 1.212 11.696 -4.148 1.00 0.00 N ATOM 49 CA SER A 6 2.273 10.731 -3.915 1.00 0.00 C ATOM 50 C SER A 6 1.683 9.422 -3.385 1.00 0.00 C ATOM 51 O SER A 6 0.988 9.416 -2.371 1.00 0.00 O ATOM 52 CB SER A 6 3.312 11.279 -2.935 1.00 0.00 C ATOM 53 OG SER A 6 4.616 11.324 -3.508 1.00 0.00 O ATOM 0 H SER A 6 1.403 12.634 -3.795 1.00 0.00 H new ATOM 0 HA SER A 6 2.774 10.539 -4.864 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.020 12.281 -2.620 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.330 10.656 -2.041 1.00 0.00 H new ATOM 0 HG SER A 6 5.250 11.681 -2.851 1.00 0.00 H new ATOM 59 N GLY A 7 1.982 8.345 -4.097 1.00 0.00 N ATOM 60 CA GLY A 7 1.489 7.033 -3.711 1.00 0.00 C ATOM 61 C GLY A 7 1.494 6.871 -2.190 1.00 0.00 C ATOM 62 O GLY A 7 2.295 7.498 -1.498 1.00 0.00 O ATOM 0 H GLY A 7 2.559 8.354 -4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.477 6.894 -4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.109 6.260 -4.165 1.00 0.00 H new ATOM 66 N LYS A 8 0.591 6.027 -1.713 1.00 0.00 N ATOM 67 CA LYS A 8 0.481 5.775 -0.287 1.00 0.00 C ATOM 68 C LYS A 8 1.127 4.427 0.039 1.00 0.00 C ATOM 69 O LYS A 8 1.258 3.570 -0.833 1.00 0.00 O ATOM 70 CB LYS A 8 -0.976 5.884 0.166 1.00 0.00 C ATOM 71 CG LYS A 8 -1.124 6.906 1.295 1.00 0.00 C ATOM 72 CD LYS A 8 -2.483 7.606 1.226 1.00 0.00 C ATOM 73 CE LYS A 8 -2.853 8.219 2.578 1.00 0.00 C ATOM 74 NZ LYS A 8 -3.278 9.627 2.410 1.00 0.00 N ATOM 0 H LYS A 8 -0.072 5.509 -2.290 1.00 0.00 H new ATOM 0 HA LYS A 8 1.023 6.534 0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.602 6.175 -0.677 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.329 4.910 0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.016 6.407 2.258 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.326 7.646 1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.456 8.385 0.464 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.249 6.892 0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.656 7.643 3.038 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.998 8.169 3.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.526 10.028 3.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.501 10.177 1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -4.107 9.667 1.783 1.00 0.00 H new ATOM 88 N TYR A 9 1.513 4.281 1.299 1.00 0.00 N ATOM 89 CA TYR A 9 2.142 3.051 1.751 1.00 0.00 C ATOM 90 C TYR A 9 1.709 2.707 3.177 1.00 0.00 C ATOM 91 O TYR A 9 1.033 3.498 3.833 1.00 0.00 O ATOM 92 CB TYR A 9 3.648 3.319 1.738 1.00 0.00 C ATOM 93 CG TYR A 9 4.218 3.603 0.346 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.535 2.558 -0.496 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.414 4.906 -0.065 1.00 0.00 C ATOM 96 CE1 TYR A 9 5.071 2.826 -1.806 1.00 0.00 C ATOM 97 CE2 TYR A 9 4.950 5.174 -1.375 1.00 0.00 C ATOM 98 CZ TYR A 9 5.252 4.121 -2.180 1.00 0.00 C ATOM 99 OH TYR A 9 5.758 4.374 -3.417 1.00 0.00 O ATOM 0 H TYR A 9 1.402 4.994 2.020 1.00 0.00 H new ATOM 0 HA TYR A 9 1.860 2.216 1.109 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.861 4.169 2.387 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.164 2.457 2.162 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.381 1.539 -0.173 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.166 5.724 0.595 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.323 2.017 -2.476 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.108 6.188 -1.710 1.00 0.00 H new ATOM 0 HH TYR A 9 5.832 5.342 -3.548 1.00 0.00 H new ATOM 109 N VAL A 10 2.118 1.526 3.617 1.00 0.00 N ATOM 110 CA VAL A 10 1.781 1.067 4.954 1.00 0.00 C ATOM 111 C VAL A 10 3.042 0.534 5.638 1.00 0.00 C ATOM 112 O VAL A 10 3.887 -0.086 4.994 1.00 0.00 O ATOM 113 CB VAL A 10 0.656 0.032 4.884 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.153 -1.278 4.269 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.046 -0.208 6.266 1.00 0.00 C ATOM 0 H VAL A 10 2.680 0.873 3.071 1.00 0.00 H new ATOM 0 HA VAL A 10 1.407 1.893 5.559 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.126 0.430 4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.334 -1.996 4.231 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.518 -1.090 3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.962 -1.682 4.878 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.751 -0.948 6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.816 -0.574 6.945 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.362 0.727 6.651 1.00 0.00 H new ATOM 125 N LYS A 11 3.128 0.796 6.934 1.00 0.00 N ATOM 126 CA LYS A 11 4.272 0.351 7.712 1.00 0.00 C ATOM 127 C LYS A 11 3.862 -0.846 8.572 1.00 0.00 C ATOM 128 O LYS A 11 2.926 -0.754 9.365 1.00 0.00 O ATOM 129 CB LYS A 11 4.858 1.514 8.516 1.00 0.00 C ATOM 130 CG LYS A 11 5.873 1.012 9.545 1.00 0.00 C ATOM 131 CD LYS A 11 7.259 1.603 9.282 1.00 0.00 C ATOM 132 CE LYS A 11 7.483 2.868 10.112 1.00 0.00 C ATOM 133 NZ LYS A 11 6.746 4.010 9.526 1.00 0.00 N ATOM 0 H LYS A 11 2.425 1.310 7.465 1.00 0.00 H new ATOM 0 HA LYS A 11 5.073 0.013 7.054 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.339 2.222 7.841 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.056 2.051 9.023 1.00 0.00 H new ATOM 0 HG2 LYS A 11 5.543 1.282 10.548 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.925 -0.076 9.509 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.024 0.865 9.523 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.364 1.836 8.222 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.151 2.701 11.137 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.548 3.098 10.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.976 4.878 10.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.020 4.125 8.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.723 3.830 9.585 1.00 0.00 H new ATOM 147 N ILE A 12 4.584 -1.942 8.387 1.00 0.00 N ATOM 148 CA ILE A 12 4.307 -3.156 9.136 1.00 0.00 C ATOM 149 C ILE A 12 4.806 -2.988 10.572 1.00 0.00 C ATOM 150 O ILE A 12 6.009 -2.874 10.806 1.00 0.00 O ATOM 151 CB ILE A 12 4.895 -4.373 8.419 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.614 -4.312 6.916 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.389 -5.675 9.044 1.00 0.00 C ATOM 154 CD1 ILE A 12 3.123 -4.102 6.644 1.00 0.00 C ATOM 0 H ILE A 12 5.360 -2.014 7.729 1.00 0.00 H new ATOM 0 HA ILE A 12 3.233 -3.335 9.190 1.00 0.00 H new ATOM 0 HB ILE A 12 5.977 -4.354 8.546 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.187 -3.500 6.468 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.947 -5.236 6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.822 -6.524 8.516 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.682 -5.713 10.093 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.302 -5.717 8.969 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.951 -4.062 5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.555 -4.928 7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.799 -3.166 7.098 1.00 0.00 H new ATOM 166 N LEU A 13 3.858 -2.979 11.497 1.00 0.00 N ATOM 167 CA LEU A 13 4.186 -2.828 12.904 1.00 0.00 C ATOM 168 C LEU A 13 4.625 -4.180 13.470 1.00 0.00 C ATOM 169 O LEU A 13 5.416 -4.236 14.411 1.00 0.00 O ATOM 170 CB LEU A 13 3.017 -2.195 13.662 1.00 0.00 C ATOM 171 CG LEU A 13 2.430 -0.922 13.049 1.00 0.00 C ATOM 172 CD1 LEU A 13 1.272 -0.390 13.894 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.516 0.134 12.834 1.00 0.00 C ATOM 0 H LEU A 13 2.862 -3.074 11.299 1.00 0.00 H new ATOM 0 HA LEU A 13 5.025 -2.143 13.027 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.221 -2.935 13.745 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.348 -1.967 14.675 1.00 0.00 H new ATOM 0 HG LEU A 13 2.024 -1.171 12.068 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.873 0.515 13.436 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.487 -1.144 13.951 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.629 -0.161 14.898 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.072 1.029 12.397 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.973 0.386 13.791 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.277 -0.259 12.160 1.00 0.00 H new ATOM 185 N TYR A 14 4.094 -5.236 12.872 1.00 0.00 N ATOM 186 CA TYR A 14 4.421 -6.584 13.304 1.00 0.00 C ATOM 187 C TYR A 14 4.785 -7.470 12.110 1.00 0.00 C ATOM 188 O TYR A 14 4.197 -7.343 11.037 1.00 0.00 O ATOM 189 CB TYR A 14 3.156 -7.134 13.965 1.00 0.00 C ATOM 190 CG TYR A 14 2.770 -6.420 15.261 1.00 0.00 C ATOM 191 CD1 TYR A 14 3.419 -6.729 16.439 1.00 0.00 C ATOM 192 CD2 TYR A 14 1.773 -5.465 15.253 1.00 0.00 C ATOM 193 CE1 TYR A 14 3.056 -6.056 17.659 1.00 0.00 C ATOM 194 CE2 TYR A 14 1.410 -4.792 16.473 1.00 0.00 C ATOM 195 CZ TYR A 14 2.069 -5.121 17.616 1.00 0.00 C ATOM 196 OH TYR A 14 1.726 -4.486 18.769 1.00 0.00 O ATOM 0 H TYR A 14 3.439 -5.185 12.092 1.00 0.00 H new ATOM 0 HA TYR A 14 5.275 -6.573 13.981 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.328 -7.058 13.260 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.300 -8.194 14.175 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.199 -7.476 16.446 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.265 -5.223 14.331 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.556 -6.288 18.588 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.632 -4.043 16.480 1.00 0.00 H new ATOM 0 HH TYR A 14 1.008 -3.844 18.588 1.00 0.00 H new ATOM 206 N ASP A 15 5.752 -8.347 12.337 1.00 0.00 N ATOM 207 CA ASP A 15 6.201 -9.253 11.294 1.00 0.00 C ATOM 208 C ASP A 15 5.149 -10.344 11.085 1.00 0.00 C ATOM 209 O ASP A 15 4.954 -11.196 11.951 1.00 0.00 O ATOM 210 CB ASP A 15 7.516 -9.931 11.681 1.00 0.00 C ATOM 211 CG ASP A 15 8.441 -9.091 12.564 1.00 0.00 C ATOM 212 OD1 ASP A 15 8.017 -8.783 13.699 1.00 0.00 O ATOM 213 OD2 ASP A 15 9.551 -8.775 12.084 1.00 0.00 O ATOM 0 H ASP A 15 6.237 -8.449 13.228 1.00 0.00 H new ATOM 0 HA ASP A 15 6.350 -8.672 10.384 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.288 -10.861 12.201 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.052 -10.198 10.770 1.00 0.00 H new ATOM 218 N PHE A 16 4.500 -10.283 9.932 1.00 0.00 N ATOM 219 CA PHE A 16 3.473 -11.256 9.599 1.00 0.00 C ATOM 220 C PHE A 16 4.011 -12.310 8.629 1.00 0.00 C ATOM 221 O PHE A 16 4.850 -12.009 7.782 1.00 0.00 O ATOM 222 CB PHE A 16 2.334 -10.491 8.922 1.00 0.00 C ATOM 223 CG PHE A 16 1.121 -11.358 8.578 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.213 -11.670 9.541 1.00 0.00 C ATOM 225 CD2 PHE A 16 0.951 -11.815 7.309 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.913 -12.473 9.221 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.175 -12.619 6.989 1.00 0.00 C ATOM 228 CZ PHE A 16 -1.083 -12.931 7.951 1.00 0.00 C ATOM 0 H PHE A 16 4.665 -9.575 9.216 1.00 0.00 H new ATOM 0 HA PHE A 16 3.139 -11.768 10.501 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.014 -9.681 9.577 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.711 -10.032 8.008 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.349 -11.307 10.549 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.672 -11.567 6.544 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.635 -12.720 9.985 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.310 -12.983 5.981 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.939 -13.542 7.707 1.00 0.00 H new ATOM 238 N THR A 17 3.505 -13.525 8.785 1.00 0.00 N ATOM 239 CA THR A 17 3.924 -14.625 7.934 1.00 0.00 C ATOM 240 C THR A 17 2.722 -15.211 7.190 1.00 0.00 C ATOM 241 O THR A 17 1.795 -15.729 7.811 1.00 0.00 O ATOM 242 CB THR A 17 4.655 -15.647 8.807 1.00 0.00 C ATOM 243 OG1 THR A 17 5.821 -14.956 9.247 1.00 0.00 O ATOM 244 CG2 THR A 17 5.202 -16.824 7.997 1.00 0.00 C ATOM 0 H THR A 17 2.809 -13.771 9.488 1.00 0.00 H new ATOM 0 HA THR A 17 4.612 -14.286 7.160 1.00 0.00 H new ATOM 0 HB THR A 17 3.977 -16.019 9.575 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.353 -15.545 9.821 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.711 -17.519 8.664 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.379 -17.336 7.498 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.906 -16.456 7.250 1.00 0.00 H new ATOM 252 N ALA A 18 2.777 -15.110 5.870 1.00 0.00 N ATOM 253 CA ALA A 18 1.704 -15.623 5.035 1.00 0.00 C ATOM 254 C ALA A 18 1.359 -17.047 5.474 1.00 0.00 C ATOM 255 O ALA A 18 2.171 -17.960 5.330 1.00 0.00 O ATOM 256 CB ALA A 18 2.123 -15.552 3.565 1.00 0.00 C ATOM 0 H ALA A 18 3.548 -14.681 5.358 1.00 0.00 H new ATOM 0 HA ALA A 18 0.806 -15.016 5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.318 -15.937 2.938 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.330 -14.516 3.295 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.020 -16.152 3.413 1.00 0.00 H new ATOM 262 N ARG A 19 0.152 -17.193 6.002 1.00 0.00 N ATOM 263 CA ARG A 19 -0.311 -18.491 6.463 1.00 0.00 C ATOM 264 C ARG A 19 -1.235 -19.126 5.422 1.00 0.00 C ATOM 265 O ARG A 19 -1.782 -20.204 5.647 1.00 0.00 O ATOM 266 CB ARG A 19 -1.060 -18.368 7.792 1.00 0.00 C ATOM 267 CG ARG A 19 -0.094 -18.067 8.939 1.00 0.00 C ATOM 268 CD ARG A 19 -0.765 -17.201 10.008 1.00 0.00 C ATOM 269 NE ARG A 19 -0.995 -17.997 11.234 1.00 0.00 N ATOM 270 CZ ARG A 19 -1.700 -17.566 12.289 1.00 0.00 C ATOM 271 NH1 ARG A 19 -2.247 -16.343 12.274 1.00 0.00 N ATOM 272 NH2 ARG A 19 -1.856 -18.357 13.359 1.00 0.00 N ATOM 0 H ARG A 19 -0.519 -16.434 6.121 1.00 0.00 H new ATOM 0 HA ARG A 19 0.565 -19.123 6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.805 -17.576 7.722 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.598 -19.294 7.998 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.249 -19.001 9.385 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.787 -17.556 8.552 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.137 -16.340 10.236 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.712 -16.815 9.632 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.592 -18.933 11.279 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.127 -15.740 11.460 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.784 -16.014 13.077 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.438 -19.287 13.371 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.393 -18.029 14.162 1.00 0.00 H new ATOM 286 N ASN A 20 -1.380 -18.430 4.303 1.00 0.00 N ATOM 287 CA ASN A 20 -2.228 -18.913 3.227 1.00 0.00 C ATOM 288 C ASN A 20 -1.740 -18.331 1.899 1.00 0.00 C ATOM 289 O ASN A 20 -0.761 -17.586 1.866 1.00 0.00 O ATOM 290 CB ASN A 20 -3.679 -18.474 3.430 1.00 0.00 C ATOM 291 CG ASN A 20 -4.513 -19.602 4.040 1.00 0.00 C ATOM 292 OD1 ASN A 20 -5.038 -20.463 3.353 1.00 0.00 O ATOM 293 ND2 ASN A 20 -4.606 -19.550 5.366 1.00 0.00 N ATOM 0 H ASN A 20 -0.925 -17.536 4.119 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.178 -20.002 3.221 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.711 -17.601 4.081 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.109 -18.175 2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.141 -20.258 5.868 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.142 -18.802 5.881 1.00 0.00 H new ATOM 300 N ALA A 21 -2.443 -18.693 0.836 1.00 0.00 N ATOM 301 CA ALA A 21 -2.093 -18.216 -0.491 1.00 0.00 C ATOM 302 C ALA A 21 -2.582 -16.775 -0.656 1.00 0.00 C ATOM 303 O ALA A 21 -1.946 -15.974 -1.339 1.00 0.00 O ATOM 304 CB ALA A 21 -2.684 -19.156 -1.544 1.00 0.00 C ATOM 0 H ALA A 21 -3.254 -19.311 0.867 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.011 -18.215 -0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.421 -18.798 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.283 -20.160 -1.402 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.769 -19.181 -1.442 1.00 0.00 H new ATOM 310 N ASN A 22 -3.708 -16.490 -0.019 1.00 0.00 N ATOM 311 CA ASN A 22 -4.290 -15.160 -0.086 1.00 0.00 C ATOM 312 C ASN A 22 -3.732 -14.306 1.054 1.00 0.00 C ATOM 313 O ASN A 22 -4.474 -13.575 1.708 1.00 0.00 O ATOM 314 CB ASN A 22 -5.811 -15.216 0.066 1.00 0.00 C ATOM 315 CG ASN A 22 -6.480 -15.607 -1.253 1.00 0.00 C ATOM 316 OD1 ASN A 22 -5.838 -15.789 -2.274 1.00 0.00 O ATOM 317 ND2 ASN A 22 -7.803 -15.724 -1.175 1.00 0.00 N ATOM 0 H ASN A 22 -4.233 -17.157 0.546 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.040 -14.731 -1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.076 -15.936 0.840 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.183 -14.245 0.393 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.342 -15.980 -2.002 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.278 -15.557 -0.288 1.00 0.00 H new ATOM 324 N GLU A 23 -2.428 -14.426 1.257 1.00 0.00 N ATOM 325 CA GLU A 23 -1.762 -13.674 2.307 1.00 0.00 C ATOM 326 C GLU A 23 -0.332 -13.327 1.886 1.00 0.00 C ATOM 327 O GLU A 23 0.331 -14.119 1.217 1.00 0.00 O ATOM 328 CB GLU A 23 -1.772 -14.447 3.627 1.00 0.00 C ATOM 329 CG GLU A 23 -3.202 -14.801 4.043 1.00 0.00 C ATOM 330 CD GLU A 23 -3.242 -15.312 5.485 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.628 -16.373 5.728 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.886 -14.630 6.311 1.00 0.00 O ATOM 0 H GLU A 23 -1.815 -15.033 0.712 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.310 -12.745 2.464 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.183 -15.358 3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.300 -13.849 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.841 -13.923 3.946 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.602 -15.562 3.372 1.00 0.00 H new ATOM 339 N LEU A 24 0.101 -12.144 2.295 1.00 0.00 N ATOM 340 CA LEU A 24 1.440 -11.683 1.969 1.00 0.00 C ATOM 341 C LEU A 24 2.322 -11.768 3.216 1.00 0.00 C ATOM 342 O LEU A 24 1.837 -11.606 4.335 1.00 0.00 O ATOM 343 CB LEU A 24 1.389 -10.287 1.346 1.00 0.00 C ATOM 344 CG LEU A 24 2.580 -9.901 0.466 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.426 -10.472 -0.945 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.782 -8.385 0.451 1.00 0.00 C ATOM 0 H LEU A 24 -0.452 -11.490 2.850 1.00 0.00 H new ATOM 0 HA LEU A 24 1.891 -12.327 1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.481 -10.211 0.748 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.304 -9.555 2.149 1.00 0.00 H new ATOM 0 HG LEU A 24 3.480 -10.341 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.285 -10.183 -1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.368 -11.559 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.515 -10.081 -1.398 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.635 -8.138 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.887 -7.903 0.058 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.969 -8.033 1.465 1.00 0.00 H new ATOM 358 N SER A 25 3.601 -12.022 2.982 1.00 0.00 N ATOM 359 CA SER A 25 4.555 -12.130 4.072 1.00 0.00 C ATOM 360 C SER A 25 5.377 -10.844 4.178 1.00 0.00 C ATOM 361 O SER A 25 6.022 -10.434 3.214 1.00 0.00 O ATOM 362 CB SER A 25 5.477 -13.335 3.880 1.00 0.00 C ATOM 363 OG SER A 25 6.025 -13.384 2.565 1.00 0.00 O ATOM 0 H SER A 25 3.999 -12.156 2.052 1.00 0.00 H new ATOM 0 HA SER A 25 4.000 -12.276 4.999 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.286 -13.292 4.609 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.921 -14.252 4.075 1.00 0.00 H new ATOM 0 HG SER A 25 6.336 -12.491 2.307 1.00 0.00 H new ATOM 369 N VAL A 26 5.326 -10.242 5.358 1.00 0.00 N ATOM 370 CA VAL A 26 6.058 -9.011 5.602 1.00 0.00 C ATOM 371 C VAL A 26 6.749 -9.095 6.964 1.00 0.00 C ATOM 372 O VAL A 26 6.377 -9.914 7.803 1.00 0.00 O ATOM 373 CB VAL A 26 5.118 -7.810 5.481 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.476 -7.754 4.093 1.00 0.00 C ATOM 375 CG2 VAL A 26 4.051 -7.837 6.578 1.00 0.00 C ATOM 0 H VAL A 26 4.789 -10.584 6.155 1.00 0.00 H new ATOM 0 HA VAL A 26 6.836 -8.874 4.851 1.00 0.00 H new ATOM 0 HB VAL A 26 5.711 -6.905 5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.813 -6.891 4.034 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.255 -7.666 3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.903 -8.665 3.920 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.396 -6.973 6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.463 -8.751 6.492 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.533 -7.807 7.555 1.00 0.00 H new ATOM 385 N LEU A 27 7.742 -8.236 7.143 1.00 0.00 N ATOM 386 CA LEU A 27 8.488 -8.203 8.389 1.00 0.00 C ATOM 387 C LEU A 27 8.133 -6.928 9.157 1.00 0.00 C ATOM 388 O LEU A 27 7.345 -6.112 8.682 1.00 0.00 O ATOM 389 CB LEU A 27 9.986 -8.364 8.122 1.00 0.00 C ATOM 390 CG LEU A 27 10.436 -9.743 7.637 1.00 0.00 C ATOM 391 CD1 LEU A 27 9.668 -10.854 8.355 1.00 0.00 C ATOM 392 CD2 LEU A 27 10.319 -9.855 6.116 1.00 0.00 C ATOM 0 H LEU A 27 8.047 -7.557 6.445 1.00 0.00 H new ATOM 0 HA LEU A 27 8.209 -9.045 9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.284 -7.624 7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.526 -8.129 9.039 1.00 0.00 H new ATOM 0 HG LEU A 27 11.490 -9.866 7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 27 10.007 -11.824 7.992 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.847 -10.785 9.428 1.00 0.00 H new ATOM 0 HD13 LEU A 27 8.602 -10.745 8.158 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.645 -10.845 5.798 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.282 -9.702 5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.947 -9.098 5.646 1.00 0.00 H new ATOM 404 N LYS A 28 8.733 -6.796 10.331 1.00 0.00 N ATOM 405 CA LYS A 28 8.491 -5.634 11.168 1.00 0.00 C ATOM 406 C LYS A 28 9.393 -4.485 10.713 1.00 0.00 C ATOM 407 O LYS A 28 10.562 -4.697 10.396 1.00 0.00 O ATOM 408 CB LYS A 28 8.655 -5.995 12.646 1.00 0.00 C ATOM 409 CG LYS A 28 8.541 -4.751 13.530 1.00 0.00 C ATOM 410 CD LYS A 28 9.436 -4.873 14.765 1.00 0.00 C ATOM 411 CE LYS A 28 8.704 -4.398 16.022 1.00 0.00 C ATOM 412 NZ LYS A 28 9.450 -3.296 16.670 1.00 0.00 N ATOM 0 H LYS A 28 9.386 -7.475 10.722 1.00 0.00 H new ATOM 0 HA LYS A 28 7.461 -5.294 11.058 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.894 -6.721 12.933 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.624 -6.470 12.803 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.823 -3.867 12.958 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.505 -4.614 13.839 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.748 -5.910 14.891 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.341 -4.283 14.622 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.701 -4.062 15.761 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.590 -5.228 16.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.940 -2.985 17.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.399 -3.629 16.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.536 -2.499 16.008 1.00 0.00 H new ATOM 426 N ASP A 29 8.814 -3.293 10.694 1.00 0.00 N ATOM 427 CA ASP A 29 9.551 -2.110 10.283 1.00 0.00 C ATOM 428 C ASP A 29 9.673 -2.095 8.758 1.00 0.00 C ATOM 429 O ASP A 29 10.562 -1.446 8.209 1.00 0.00 O ATOM 430 CB ASP A 29 10.964 -2.109 10.870 1.00 0.00 C ATOM 431 CG ASP A 29 11.406 -0.782 11.490 1.00 0.00 C ATOM 432 OD1 ASP A 29 11.196 0.254 10.822 1.00 0.00 O ATOM 433 OD2 ASP A 29 11.943 -0.833 12.617 1.00 0.00 O ATOM 0 H ASP A 29 7.843 -3.121 10.956 1.00 0.00 H new ATOM 0 HA ASP A 29 9.011 -1.234 10.643 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.025 -2.887 11.631 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.668 -2.377 10.083 1.00 0.00 H new ATOM 438 N GLU A 30 8.767 -2.819 8.117 1.00 0.00 N ATOM 439 CA GLU A 30 8.763 -2.898 6.666 1.00 0.00 C ATOM 440 C GLU A 30 7.647 -2.023 6.091 1.00 0.00 C ATOM 441 O GLU A 30 6.657 -1.749 6.767 1.00 0.00 O ATOM 442 CB GLU A 30 8.621 -4.347 6.196 1.00 0.00 C ATOM 443 CG GLU A 30 9.989 -4.962 5.893 1.00 0.00 C ATOM 444 CD GLU A 30 9.840 -6.296 5.158 1.00 0.00 C ATOM 445 OE1 GLU A 30 8.688 -6.773 5.076 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.882 -6.807 4.695 1.00 0.00 O ATOM 0 H GLU A 30 8.031 -3.356 8.576 1.00 0.00 H new ATOM 0 HA GLU A 30 9.718 -2.524 6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.116 -4.934 6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.996 -4.384 5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.576 -4.272 5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.537 -5.114 6.823 1.00 0.00 H new ATOM 453 N VAL A 31 7.844 -1.609 4.848 1.00 0.00 N ATOM 454 CA VAL A 31 6.867 -0.771 4.174 1.00 0.00 C ATOM 455 C VAL A 31 6.478 -1.418 2.843 1.00 0.00 C ATOM 456 O VAL A 31 7.290 -1.487 1.922 1.00 0.00 O ATOM 457 CB VAL A 31 7.418 0.647 4.011 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.477 1.507 3.164 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.676 1.295 5.373 1.00 0.00 C ATOM 0 H VAL A 31 8.666 -1.838 4.290 1.00 0.00 H new ATOM 0 HA VAL A 31 5.959 -0.686 4.772 1.00 0.00 H new ATOM 0 HB VAL A 31 8.371 0.578 3.487 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.892 2.510 3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.366 1.060 2.176 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.502 1.565 3.648 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.067 2.302 5.229 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.743 1.345 5.935 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.402 0.700 5.927 1.00 0.00 H new ATOM 469 N LEU A 32 5.236 -1.874 2.784 1.00 0.00 N ATOM 470 CA LEU A 32 4.729 -2.513 1.581 1.00 0.00 C ATOM 471 C LEU A 32 3.876 -1.513 0.799 1.00 0.00 C ATOM 472 O LEU A 32 3.580 -0.425 1.291 1.00 0.00 O ATOM 473 CB LEU A 32 3.994 -3.808 1.931 1.00 0.00 C ATOM 474 CG LEU A 32 4.874 -4.985 2.359 1.00 0.00 C ATOM 475 CD1 LEU A 32 6.066 -5.150 1.414 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.315 -4.838 3.817 1.00 0.00 C ATOM 0 H LEU A 32 4.565 -1.814 3.550 1.00 0.00 H new ATOM 0 HA LEU A 32 5.552 -2.808 0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.289 -3.596 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.407 -4.115 1.065 1.00 0.00 H new ATOM 0 HG LEU A 32 4.281 -5.897 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.675 -5.993 1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.705 -5.333 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.668 -4.241 1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.939 -5.687 4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.884 -3.916 3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.436 -4.806 4.461 1.00 0.00 H new ATOM 488 N GLU A 33 3.503 -1.918 -0.406 1.00 0.00 N ATOM 489 CA GLU A 33 2.689 -1.071 -1.261 1.00 0.00 C ATOM 490 C GLU A 33 1.212 -1.447 -1.129 1.00 0.00 C ATOM 491 O GLU A 33 0.810 -2.544 -1.514 1.00 0.00 O ATOM 492 CB GLU A 33 3.149 -1.159 -2.718 1.00 0.00 C ATOM 493 CG GLU A 33 3.172 0.225 -3.370 1.00 0.00 C ATOM 494 CD GLU A 33 4.039 0.223 -4.631 1.00 0.00 C ATOM 495 OE1 GLU A 33 3.868 -0.719 -5.435 1.00 0.00 O ATOM 496 OE2 GLU A 33 4.853 1.162 -4.762 1.00 0.00 O ATOM 0 H GLU A 33 3.749 -2.821 -0.810 1.00 0.00 H new ATOM 0 HA GLU A 33 2.811 -0.037 -0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.144 -1.603 -2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.481 -1.816 -3.275 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.156 0.528 -3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.556 0.958 -2.661 1.00 0.00 H new ATOM 503 N VAL A 34 0.443 -0.515 -0.584 1.00 0.00 N ATOM 504 CA VAL A 34 -0.981 -0.735 -0.396 1.00 0.00 C ATOM 505 C VAL A 34 -1.691 -0.631 -1.747 1.00 0.00 C ATOM 506 O VAL A 34 -1.445 0.302 -2.511 1.00 0.00 O ATOM 507 CB VAL A 34 -1.528 0.244 0.645 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.370 1.691 0.173 1.00 0.00 C ATOM 509 CG2 VAL A 34 -2.989 -0.068 0.976 1.00 0.00 C ATOM 0 H VAL A 34 0.780 0.394 -0.267 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.166 -1.737 -0.009 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.944 0.124 1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.767 2.366 0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.314 1.908 0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.917 1.831 -0.760 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.354 0.642 1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.592 0.011 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.064 -1.080 1.375 1.00 0.00 H new ATOM 519 N LEU A 35 -2.557 -1.601 -2.000 1.00 0.00 N ATOM 520 CA LEU A 35 -3.305 -1.630 -3.246 1.00 0.00 C ATOM 521 C LEU A 35 -4.796 -1.466 -2.945 1.00 0.00 C ATOM 522 O LEU A 35 -5.467 -0.631 -3.549 1.00 0.00 O ATOM 523 CB LEU A 35 -2.973 -2.894 -4.041 1.00 0.00 C ATOM 524 CG LEU A 35 -1.498 -3.300 -4.069 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.305 -4.612 -4.832 1.00 0.00 C ATOM 526 CD2 LEU A 35 -0.630 -2.175 -4.636 1.00 0.00 C ATOM 0 H LEU A 35 -2.758 -2.373 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.015 -0.795 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.549 -3.721 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.310 -2.753 -5.068 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.172 -3.473 -3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.248 -4.878 -4.837 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -1.876 -5.403 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.654 -4.491 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.414 -2.490 -4.645 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.949 -1.947 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.736 -1.286 -4.015 1.00 0.00 H new ATOM 538 N GLU A 36 -5.270 -2.277 -2.011 1.00 0.00 N ATOM 539 CA GLU A 36 -6.670 -2.233 -1.622 1.00 0.00 C ATOM 540 C GLU A 36 -6.800 -1.839 -0.149 1.00 0.00 C ATOM 541 O GLU A 36 -6.204 -2.472 0.721 1.00 0.00 O ATOM 542 CB GLU A 36 -7.357 -3.573 -1.894 1.00 0.00 C ATOM 543 CG GLU A 36 -8.118 -3.540 -3.220 1.00 0.00 C ATOM 544 CD GLU A 36 -9.511 -2.933 -3.039 1.00 0.00 C ATOM 545 OE1 GLU A 36 -10.301 -3.542 -2.286 1.00 0.00 O ATOM 546 OE2 GLU A 36 -9.754 -1.874 -3.657 1.00 0.00 O ATOM 0 H GLU A 36 -4.710 -2.968 -1.512 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.171 -1.476 -2.226 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.613 -4.369 -1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.045 -3.804 -1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.556 -2.958 -3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.207 -4.551 -3.617 1.00 0.00 H new ATOM 553 N ASP A 37 -7.582 -0.796 0.085 1.00 0.00 N ATOM 554 CA ASP A 37 -7.797 -0.310 1.437 1.00 0.00 C ATOM 555 C ASP A 37 -9.294 -0.082 1.660 1.00 0.00 C ATOM 556 O ASP A 37 -10.091 -0.216 0.733 1.00 0.00 O ATOM 557 CB ASP A 37 -7.077 1.020 1.666 1.00 0.00 C ATOM 558 CG ASP A 37 -7.830 2.257 1.172 1.00 0.00 C ATOM 559 OD1 ASP A 37 -8.437 2.155 0.084 1.00 0.00 O ATOM 560 OD2 ASP A 37 -7.782 3.276 1.894 1.00 0.00 O ATOM 0 H ASP A 37 -8.075 -0.274 -0.639 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.405 -1.055 2.129 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.884 1.133 2.733 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.107 0.981 1.169 1.00 0.00 H new ATOM 565 N GLY A 38 -9.630 0.259 2.895 1.00 0.00 N ATOM 566 CA GLY A 38 -11.017 0.508 3.252 1.00 0.00 C ATOM 567 C GLY A 38 -11.796 -0.804 3.371 1.00 0.00 C ATOM 568 O GLY A 38 -13.025 -0.800 3.393 1.00 0.00 O ATOM 0 H GLY A 38 -8.966 0.369 3.661 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.062 1.049 4.197 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.482 1.144 2.499 1.00 0.00 H new ATOM 572 N ARG A 39 -11.047 -1.895 3.445 1.00 0.00 N ATOM 573 CA ARG A 39 -11.652 -3.211 3.562 1.00 0.00 C ATOM 574 C ARG A 39 -11.049 -3.969 4.746 1.00 0.00 C ATOM 575 O ARG A 39 -10.018 -3.569 5.284 1.00 0.00 O ATOM 576 CB ARG A 39 -11.445 -4.027 2.284 1.00 0.00 C ATOM 577 CG ARG A 39 -12.770 -4.238 1.548 1.00 0.00 C ATOM 578 CD ARG A 39 -12.545 -4.929 0.202 1.00 0.00 C ATOM 579 NE ARG A 39 -13.638 -4.583 -0.734 1.00 0.00 N ATOM 580 CZ ARG A 39 -13.929 -5.281 -1.841 1.00 0.00 C ATOM 581 NH1 ARG A 39 -13.209 -6.366 -2.157 1.00 0.00 N ATOM 582 NH2 ARG A 39 -14.939 -4.893 -2.631 1.00 0.00 N ATOM 0 H ARG A 39 -10.027 -1.894 3.426 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.721 -3.072 3.722 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.740 -3.514 1.631 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -11.005 -4.993 2.532 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -13.440 -4.840 2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.260 -3.277 1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -11.586 -4.624 -0.217 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.503 -6.009 0.341 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.205 -3.762 -0.524 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.440 -6.661 -1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.430 -6.897 -2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.486 -4.067 -2.390 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.161 -5.424 -3.473 1.00 0.00 H new ATOM 596 N GLN A 40 -11.719 -5.050 5.118 1.00 0.00 N ATOM 597 CA GLN A 40 -11.262 -5.868 6.229 1.00 0.00 C ATOM 598 C GLN A 40 -9.736 -5.974 6.217 1.00 0.00 C ATOM 599 O GLN A 40 -9.065 -5.419 7.086 1.00 0.00 O ATOM 600 CB GLN A 40 -11.909 -7.254 6.192 1.00 0.00 C ATOM 601 CG GLN A 40 -13.095 -7.331 7.154 1.00 0.00 C ATOM 602 CD GLN A 40 -13.863 -8.642 6.974 1.00 0.00 C ATOM 603 OE1 GLN A 40 -13.932 -9.208 5.895 1.00 0.00 O ATOM 604 NE2 GLN A 40 -14.434 -9.093 8.087 1.00 0.00 N ATOM 0 H GLN A 40 -12.574 -5.378 4.670 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.566 -5.387 7.159 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.243 -7.476 5.179 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.171 -8.011 6.458 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.740 -7.251 8.182 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.763 -6.487 6.981 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.337 -8.570 8.958 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -14.969 -9.962 8.070 1.00 0.00 H new ATOM 613 N TRP A 41 -9.232 -6.691 5.224 1.00 0.00 N ATOM 614 CA TRP A 41 -7.797 -6.878 5.088 1.00 0.00 C ATOM 615 C TRP A 41 -7.336 -6.106 3.850 1.00 0.00 C ATOM 616 O TRP A 41 -7.986 -6.151 2.807 1.00 0.00 O ATOM 617 CB TRP A 41 -7.440 -8.364 5.033 1.00 0.00 C ATOM 618 CG TRP A 41 -7.576 -9.087 6.374 1.00 0.00 C ATOM 619 CD1 TRP A 41 -8.520 -8.919 7.311 1.00 0.00 C ATOM 620 CD2 TRP A 41 -6.696 -10.106 6.895 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.314 -9.751 8.392 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.170 -10.496 8.131 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.539 -10.679 6.339 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -6.548 -11.475 8.916 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -4.929 -11.656 7.137 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.393 -12.059 8.383 1.00 0.00 C ATOM 0 H TRP A 41 -9.792 -7.150 4.505 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.272 -6.486 5.959 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.082 -8.854 4.301 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.415 -8.468 4.678 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.339 -8.220 7.230 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.894 -9.809 9.229 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.151 -10.389 5.374 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.939 -11.764 9.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.036 -12.129 6.757 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.865 -12.820 8.938 1.00 0.00 H new ATOM 637 N TRP A 42 -6.216 -5.415 4.007 1.00 0.00 N ATOM 638 CA TRP A 42 -5.660 -4.634 2.915 1.00 0.00 C ATOM 639 C TRP A 42 -4.837 -5.575 2.032 1.00 0.00 C ATOM 640 O TRP A 42 -4.390 -6.626 2.488 1.00 0.00 O ATOM 641 CB TRP A 42 -4.848 -3.450 3.445 1.00 0.00 C ATOM 642 CG TRP A 42 -5.674 -2.436 4.240 1.00 0.00 C ATOM 643 CD1 TRP A 42 -6.980 -2.487 4.536 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.192 -1.212 4.833 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.374 -1.388 5.273 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.252 -0.589 5.460 1.00 0.00 C ATOM 647 CE3 TRP A 42 -3.904 -0.649 4.840 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -6.132 0.630 6.139 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -3.801 0.569 5.522 1.00 0.00 C ATOM 650 CH2 TRP A 42 -4.858 1.209 6.158 1.00 0.00 C ATOM 0 H TRP A 42 -5.679 -5.380 4.873 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.455 -4.195 2.311 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.046 -3.827 4.079 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.377 -2.940 2.605 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.641 -3.287 4.236 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.315 -1.197 5.617 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.060 -1.119 4.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -6.977 1.098 6.622 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.832 1.045 5.556 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.697 2.149 6.665 1.00 0.00 H new ATOM 661 N LYS A 43 -4.663 -5.163 0.785 1.00 0.00 N ATOM 662 CA LYS A 43 -3.902 -5.956 -0.166 1.00 0.00 C ATOM 663 C LYS A 43 -2.600 -5.228 -0.503 1.00 0.00 C ATOM 664 O LYS A 43 -2.592 -4.308 -1.320 1.00 0.00 O ATOM 665 CB LYS A 43 -4.756 -6.288 -1.391 1.00 0.00 C ATOM 666 CG LYS A 43 -4.147 -7.444 -2.187 1.00 0.00 C ATOM 667 CD LYS A 43 -4.913 -7.676 -3.491 1.00 0.00 C ATOM 668 CE LYS A 43 -4.043 -8.406 -4.516 1.00 0.00 C ATOM 669 NZ LYS A 43 -4.784 -8.596 -5.783 1.00 0.00 N ATOM 0 H LYS A 43 -5.036 -4.290 0.411 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.627 -6.916 0.272 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.765 -6.552 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.841 -5.408 -2.029 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.102 -7.227 -2.409 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.163 -8.353 -1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.811 -8.259 -3.290 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.239 -6.720 -3.901 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.133 -7.835 -4.702 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.737 -9.374 -4.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.179 -9.093 -6.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.639 -9.160 -5.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.055 -7.669 -6.169 1.00 0.00 H new ATOM 683 N LEU A 44 -1.529 -5.667 0.143 1.00 0.00 N ATOM 684 CA LEU A 44 -0.224 -5.068 -0.079 1.00 0.00 C ATOM 685 C LEU A 44 0.525 -5.870 -1.146 1.00 0.00 C ATOM 686 O LEU A 44 0.118 -6.976 -1.497 1.00 0.00 O ATOM 687 CB LEU A 44 0.538 -4.941 1.242 1.00 0.00 C ATOM 688 CG LEU A 44 -0.253 -4.370 2.420 1.00 0.00 C ATOM 689 CD1 LEU A 44 -0.930 -3.051 2.039 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.256 -5.395 2.955 1.00 0.00 C ATOM 0 H LEU A 44 -1.539 -6.430 0.820 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.330 -4.052 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.907 -5.928 1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.411 -4.310 1.076 1.00 0.00 H new ATOM 0 HG LEU A 44 0.446 -4.151 3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.486 -2.667 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.172 -2.325 1.743 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.615 -3.220 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.805 -4.964 3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.955 -5.667 2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.723 -6.285 3.290 1.00 0.00 H new ATOM 702 N ARG A 45 1.607 -5.280 -1.632 1.00 0.00 N ATOM 703 CA ARG A 45 2.417 -5.924 -2.652 1.00 0.00 C ATOM 704 C ARG A 45 3.893 -5.576 -2.457 1.00 0.00 C ATOM 705 O ARG A 45 4.239 -4.412 -2.257 1.00 0.00 O ATOM 706 CB ARG A 45 1.980 -5.496 -4.055 1.00 0.00 C ATOM 707 CG ARG A 45 2.697 -6.318 -5.127 1.00 0.00 C ATOM 708 CD ARG A 45 2.811 -5.533 -6.435 1.00 0.00 C ATOM 709 NE ARG A 45 1.462 -5.183 -6.934 1.00 0.00 N ATOM 710 CZ ARG A 45 0.638 -6.048 -7.541 1.00 0.00 C ATOM 711 NH1 ARG A 45 1.020 -7.319 -7.728 1.00 0.00 N ATOM 712 NH2 ARG A 45 -0.568 -5.642 -7.961 1.00 0.00 N ATOM 0 H ARG A 45 1.942 -4.362 -1.338 1.00 0.00 H new ATOM 0 HA ARG A 45 2.278 -7.001 -2.553 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.902 -5.620 -4.157 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.195 -4.437 -4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.692 -6.592 -4.775 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.154 -7.247 -5.302 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.395 -4.627 -6.275 1.00 0.00 H new ATOM 0 HD3 ARG A 45 3.341 -6.127 -7.180 1.00 0.00 H new ATOM 0 HE ARG A 45 1.140 -4.224 -6.808 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.938 -7.628 -7.408 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.393 -7.977 -8.190 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.859 -4.675 -7.819 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.195 -6.300 -8.423 1.00 0.00 H new ATOM 726 N SER A 46 4.725 -6.605 -2.521 1.00 0.00 N ATOM 727 CA SER A 46 6.157 -6.422 -2.354 1.00 0.00 C ATOM 728 C SER A 46 6.817 -6.187 -3.714 1.00 0.00 C ATOM 729 O SER A 46 6.179 -6.345 -4.754 1.00 0.00 O ATOM 730 CB SER A 46 6.789 -7.629 -1.659 1.00 0.00 C ATOM 731 OG SER A 46 8.137 -7.377 -1.272 1.00 0.00 O ATOM 0 H SER A 46 4.435 -7.569 -2.686 1.00 0.00 H new ATOM 0 HA SER A 46 6.319 -5.548 -1.723 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.202 -7.889 -0.778 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.759 -8.489 -2.328 1.00 0.00 H new ATOM 0 HG SER A 46 8.504 -8.171 -0.830 1.00 0.00 H new ATOM 737 N ARG A 47 8.087 -5.812 -3.663 1.00 0.00 N ATOM 738 CA ARG A 47 8.840 -5.554 -4.878 1.00 0.00 C ATOM 739 C ARG A 47 9.093 -6.860 -5.634 1.00 0.00 C ATOM 740 O ARG A 47 9.547 -6.842 -6.777 1.00 0.00 O ATOM 741 CB ARG A 47 10.181 -4.887 -4.563 1.00 0.00 C ATOM 742 CG ARG A 47 11.034 -5.774 -3.654 1.00 0.00 C ATOM 743 CD ARG A 47 11.150 -5.170 -2.252 1.00 0.00 C ATOM 744 NE ARG A 47 12.543 -5.285 -1.765 1.00 0.00 N ATOM 745 CZ ARG A 47 13.130 -6.444 -1.438 1.00 0.00 C ATOM 746 NH1 ARG A 47 12.450 -7.594 -1.543 1.00 0.00 N ATOM 747 NH2 ARG A 47 14.399 -6.453 -1.005 1.00 0.00 N ATOM 0 H ARG A 47 8.613 -5.681 -2.799 1.00 0.00 H new ATOM 0 HA ARG A 47 8.248 -4.881 -5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.718 -4.687 -5.490 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.008 -3.925 -4.080 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.591 -6.768 -3.590 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.028 -5.894 -4.086 1.00 0.00 H new ATOM 0 HD2 ARG A 47 10.848 -4.123 -2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.474 -5.683 -1.569 1.00 0.00 H new ATOM 0 HE ARG A 47 13.090 -4.429 -1.673 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.485 -7.587 -1.872 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.898 -8.476 -1.294 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.917 -5.578 -0.925 1.00 0.00 H new ATOM 0 HH22 ARG A 47 14.847 -7.335 -0.756 1.00 0.00 H new ATOM 761 N SER A 48 8.788 -7.962 -4.965 1.00 0.00 N ATOM 762 CA SER A 48 8.976 -9.274 -5.560 1.00 0.00 C ATOM 763 C SER A 48 7.816 -9.592 -6.504 1.00 0.00 C ATOM 764 O SER A 48 7.763 -10.675 -7.086 1.00 0.00 O ATOM 765 CB SER A 48 9.096 -10.355 -4.483 1.00 0.00 C ATOM 766 OG SER A 48 10.106 -11.310 -4.795 1.00 0.00 O ATOM 0 H SER A 48 8.412 -7.973 -4.017 1.00 0.00 H new ATOM 0 HA SER A 48 9.906 -9.261 -6.129 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.322 -9.888 -3.524 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.138 -10.864 -4.372 1.00 0.00 H new ATOM 0 HG SER A 48 10.152 -11.982 -4.083 1.00 0.00 H new ATOM 772 N GLY A 49 6.914 -8.629 -6.627 1.00 0.00 N ATOM 773 CA GLY A 49 5.757 -8.793 -7.491 1.00 0.00 C ATOM 774 C GLY A 49 4.696 -9.672 -6.826 1.00 0.00 C ATOM 775 O GLY A 49 3.803 -10.188 -7.496 1.00 0.00 O ATOM 0 H GLY A 49 6.961 -7.733 -6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.332 -7.817 -7.724 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.065 -9.241 -8.436 1.00 0.00 H new ATOM 779 N GLN A 50 4.829 -9.815 -5.516 1.00 0.00 N ATOM 780 CA GLN A 50 3.892 -10.622 -4.752 1.00 0.00 C ATOM 781 C GLN A 50 2.791 -9.740 -4.160 1.00 0.00 C ATOM 782 O GLN A 50 3.038 -8.591 -3.798 1.00 0.00 O ATOM 783 CB GLN A 50 4.613 -11.409 -3.656 1.00 0.00 C ATOM 784 CG GLN A 50 5.727 -12.276 -4.245 1.00 0.00 C ATOM 785 CD GLN A 50 5.165 -13.580 -4.814 1.00 0.00 C ATOM 786 OE1 GLN A 50 3.973 -13.839 -4.780 1.00 0.00 O ATOM 787 NE2 GLN A 50 6.086 -14.384 -5.337 1.00 0.00 N ATOM 0 H GLN A 50 5.571 -9.386 -4.964 1.00 0.00 H new ATOM 0 HA GLN A 50 3.429 -11.343 -5.426 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.033 -10.719 -2.924 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.899 -12.039 -3.126 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.244 -11.725 -5.031 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.465 -12.500 -3.474 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.067 -14.106 -5.333 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.811 -15.279 -5.742 1.00 0.00 H new ATOM 796 N ALA A 51 1.598 -10.312 -4.081 1.00 0.00 N ATOM 797 CA ALA A 51 0.458 -9.592 -3.540 1.00 0.00 C ATOM 798 C ALA A 51 -0.380 -10.543 -2.683 1.00 0.00 C ATOM 799 O ALA A 51 -0.739 -11.632 -3.128 1.00 0.00 O ATOM 800 CB ALA A 51 -0.348 -8.976 -4.685 1.00 0.00 C ATOM 0 H ALA A 51 1.397 -11.265 -4.383 1.00 0.00 H new ATOM 0 HA ALA A 51 0.789 -8.775 -2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.203 -8.436 -4.279 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.284 -8.287 -5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.700 -9.766 -5.348 1.00 0.00 H new ATOM 806 N GLY A 52 -0.667 -10.097 -1.469 1.00 0.00 N ATOM 807 CA GLY A 52 -1.456 -10.895 -0.546 1.00 0.00 C ATOM 808 C GLY A 52 -2.255 -10.003 0.406 1.00 0.00 C ATOM 809 O GLY A 52 -2.020 -8.798 0.477 1.00 0.00 O ATOM 0 H GLY A 52 -0.367 -9.193 -1.103 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.136 -11.537 -1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.799 -11.549 0.028 1.00 0.00 H new ATOM 813 N TYR A 53 -3.183 -10.629 1.115 1.00 0.00 N ATOM 814 CA TYR A 53 -4.017 -9.907 2.060 1.00 0.00 C ATOM 815 C TYR A 53 -3.540 -10.131 3.496 1.00 0.00 C ATOM 816 O TYR A 53 -3.175 -11.246 3.866 1.00 0.00 O ATOM 817 CB TYR A 53 -5.425 -10.485 1.907 1.00 0.00 C ATOM 818 CG TYR A 53 -6.150 -10.031 0.639 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.595 -8.729 0.527 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.360 -10.923 -0.393 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.277 -8.302 -0.667 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.042 -10.495 -1.587 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.467 -9.206 -1.665 1.00 0.00 C ATOM 824 OH TYR A 53 -8.112 -8.802 -2.793 1.00 0.00 O ATOM 0 H TYR A 53 -3.376 -11.629 1.054 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.981 -8.836 1.863 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.362 -11.573 1.907 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -6.020 -10.200 2.775 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.432 -8.031 1.335 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.013 -11.942 -0.305 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.630 -7.286 -0.768 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.212 -11.183 -2.402 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.175 -9.552 -3.420 1.00 0.00 H new ATOM 834 N VAL A 54 -3.558 -9.054 4.267 1.00 0.00 N ATOM 835 CA VAL A 54 -3.132 -9.119 5.655 1.00 0.00 C ATOM 836 C VAL A 54 -4.101 -8.310 6.520 1.00 0.00 C ATOM 837 O VAL A 54 -4.886 -7.517 6.004 1.00 0.00 O ATOM 838 CB VAL A 54 -1.682 -8.646 5.779 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.715 -9.830 5.747 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.341 -7.629 4.688 1.00 0.00 C ATOM 0 H VAL A 54 -3.861 -8.131 3.957 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.157 -10.148 6.015 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.573 -8.150 6.744 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.309 -9.466 5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.935 -10.502 6.576 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.828 -10.367 4.805 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.305 -7.309 4.799 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.476 -8.087 3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.999 -6.765 4.778 1.00 0.00 H new ATOM 850 N PRO A 55 -4.012 -8.546 7.857 1.00 0.00 N ATOM 851 CA PRO A 55 -4.871 -7.849 8.798 1.00 0.00 C ATOM 852 C PRO A 55 -4.415 -6.401 8.988 1.00 0.00 C ATOM 853 O PRO A 55 -3.223 -6.107 8.915 1.00 0.00 O ATOM 854 CB PRO A 55 -4.798 -8.667 10.077 1.00 0.00 C ATOM 855 CG PRO A 55 -3.548 -9.523 9.954 1.00 0.00 C ATOM 856 CD PRO A 55 -3.094 -9.479 8.504 1.00 0.00 C ATOM 0 HA PRO A 55 -5.901 -7.770 8.449 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.743 -8.019 10.952 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.686 -9.288 10.195 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.763 -9.149 10.611 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.756 -10.549 10.258 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.061 -9.140 8.422 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.142 -10.466 8.044 1.00 0.00 H new ATOM 864 N CYS A 56 -5.389 -5.535 9.228 1.00 0.00 N ATOM 865 CA CYS A 56 -5.103 -4.124 9.429 1.00 0.00 C ATOM 866 C CYS A 56 -4.762 -3.909 10.905 1.00 0.00 C ATOM 867 O CYS A 56 -4.589 -2.774 11.346 1.00 0.00 O ATOM 868 CB CYS A 56 -6.268 -3.241 8.978 1.00 0.00 C ATOM 869 SG CYS A 56 -7.782 -3.677 9.909 1.00 0.00 S ATOM 0 H CYS A 56 -6.377 -5.783 9.288 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.252 -3.831 8.814 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.022 -2.191 9.138 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.439 -3.369 7.909 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.563 -4.394 9.156 1.00 0.00 H new ATOM 875 N ASN A 57 -4.675 -5.016 11.627 1.00 0.00 N ATOM 876 CA ASN A 57 -4.357 -4.963 13.044 1.00 0.00 C ATOM 877 C ASN A 57 -2.855 -4.733 13.217 1.00 0.00 C ATOM 878 O ASN A 57 -2.419 -4.190 14.231 1.00 0.00 O ATOM 879 CB ASN A 57 -4.717 -6.277 13.739 1.00 0.00 C ATOM 880 CG ASN A 57 -5.844 -6.070 14.754 1.00 0.00 C ATOM 881 OD1 ASN A 57 -6.988 -6.430 14.533 1.00 0.00 O ATOM 882 ND2 ASN A 57 -5.457 -5.471 15.876 1.00 0.00 N ATOM 0 H ASN A 57 -4.819 -5.956 11.257 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.932 -4.151 13.488 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.023 -7.014 12.996 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.838 -6.679 14.243 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.135 -5.287 16.616 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.482 -5.195 15.997 1.00 0.00 H new ATOM 889 N ILE A 58 -2.104 -5.157 12.212 1.00 0.00 N ATOM 890 CA ILE A 58 -0.659 -5.004 12.240 1.00 0.00 C ATOM 891 C ILE A 58 -0.257 -3.829 11.347 1.00 0.00 C ATOM 892 O ILE A 58 0.817 -3.255 11.517 1.00 0.00 O ATOM 893 CB ILE A 58 0.027 -6.321 11.869 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.273 -6.706 10.419 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.356 -7.433 12.848 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.298 -8.086 10.089 1.00 0.00 C ATOM 0 H ILE A 58 -2.469 -5.607 11.372 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.321 -4.768 13.249 1.00 0.00 H new ATOM 0 HB ILE A 58 1.105 -6.179 11.948 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.350 -6.705 10.254 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.153 -5.962 9.746 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.145 -8.358 12.562 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.051 -7.152 13.856 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.435 -7.583 12.825 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.071 -8.335 9.053 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.379 -8.076 10.231 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.148 -8.831 10.748 1.00 0.00 H new ATOM 908 N LEU A 59 -1.142 -3.506 10.415 1.00 0.00 N ATOM 909 CA LEU A 59 -0.893 -2.410 9.495 1.00 0.00 C ATOM 910 C LEU A 59 -0.849 -1.094 10.275 1.00 0.00 C ATOM 911 O LEU A 59 -1.305 -1.030 11.416 1.00 0.00 O ATOM 912 CB LEU A 59 -1.920 -2.418 8.361 1.00 0.00 C ATOM 913 CG LEU A 59 -1.847 -3.605 7.398 1.00 0.00 C ATOM 914 CD1 LEU A 59 -2.915 -3.493 6.309 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.442 -3.748 6.811 1.00 0.00 C ATOM 0 H LEU A 59 -2.032 -3.984 10.278 1.00 0.00 H new ATOM 0 HA LEU A 59 0.078 -2.529 9.015 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.917 -2.393 8.800 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.803 -1.500 7.785 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.055 -4.515 7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.841 -4.349 5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.903 -3.476 6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.763 -2.574 5.743 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.417 -4.599 6.130 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.181 -2.840 6.267 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.275 -3.907 7.617 1.00 0.00 H new ATOM 927 N GLY A 60 -0.296 -0.078 9.630 1.00 0.00 N ATOM 928 CA GLY A 60 -0.186 1.232 10.249 1.00 0.00 C ATOM 929 C GLY A 60 0.231 2.289 9.225 1.00 0.00 C ATOM 930 O GLY A 60 0.766 1.958 8.169 1.00 0.00 O ATOM 0 H GLY A 60 0.081 -0.135 8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.142 1.509 10.694 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.544 1.196 11.058 1.00 0.00 H new ATOM 934 N GLU A 61 -0.030 3.540 9.575 1.00 0.00 N ATOM 935 CA GLU A 61 0.311 4.649 8.699 1.00 0.00 C ATOM 936 C GLU A 61 1.828 4.738 8.524 1.00 0.00 C ATOM 937 O GLU A 61 2.575 4.679 9.500 1.00 0.00 O ATOM 938 CB GLU A 61 -0.257 5.965 9.233 1.00 0.00 C ATOM 939 CG GLU A 61 -0.994 6.731 8.132 1.00 0.00 C ATOM 940 CD GLU A 61 -0.039 7.116 7.000 1.00 0.00 C ATOM 941 OE1 GLU A 61 0.742 8.068 7.216 1.00 0.00 O ATOM 942 OE2 GLU A 61 -0.112 6.451 5.945 1.00 0.00 O ATOM 0 H GLU A 61 -0.473 3.810 10.453 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.139 4.467 7.723 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.939 5.762 10.059 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.551 6.579 9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.804 6.118 7.737 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.449 7.629 8.550 1.00 0.00 H new ATOM 949 N ALA A 62 2.240 4.879 7.272 1.00 0.00 N ATOM 950 CA ALA A 62 3.655 4.978 6.956 1.00 0.00 C ATOM 951 C ALA A 62 4.064 6.451 6.922 1.00 0.00 C ATOM 952 O ALA A 62 3.481 7.244 6.184 1.00 0.00 O ATOM 953 CB ALA A 62 3.933 4.265 5.631 1.00 0.00 C ATOM 0 H ALA A 62 1.618 4.927 6.465 1.00 0.00 H new ATOM 0 HA ALA A 62 4.255 4.487 7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.994 4.339 5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.653 3.215 5.717 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.350 4.732 4.837 1.00 0.00 H new ATOM 959 N SER A 63 5.064 6.774 7.730 1.00 0.00 N ATOM 960 CA SER A 63 5.558 8.138 7.801 1.00 0.00 C ATOM 961 C SER A 63 7.077 8.136 7.983 1.00 0.00 C ATOM 962 O SER A 63 7.572 8.272 9.101 1.00 0.00 O ATOM 963 CB SER A 63 4.888 8.907 8.942 1.00 0.00 C ATOM 964 OG SER A 63 5.208 10.296 8.910 1.00 0.00 O ATOM 0 H SER A 63 5.545 6.114 8.341 1.00 0.00 H new ATOM 0 HA SER A 63 5.311 8.640 6.866 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.807 8.782 8.878 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.201 8.485 9.897 1.00 0.00 H new ATOM 0 HG SER A 63 4.760 10.752 9.653 1.00 0.00 H new ATOM 970 N GLY A 64 7.774 7.980 6.868 1.00 0.00 N ATOM 971 CA GLY A 64 9.227 7.957 6.890 1.00 0.00 C ATOM 972 C GLY A 64 9.796 9.376 6.960 1.00 0.00 C ATOM 973 O GLY A 64 9.098 10.344 6.663 1.00 0.00 O ATOM 0 H GLY A 64 7.360 7.868 5.943 1.00 0.00 H new ATOM 0 HA2 GLY A 64 9.572 7.380 7.748 1.00 0.00 H new ATOM 0 HA3 GLY A 64 9.600 7.455 5.997 1.00 0.00 H new ATOM 977 N PRO A 65 11.092 9.456 7.366 1.00 0.00 N ATOM 978 CA PRO A 65 11.762 10.740 7.479 1.00 0.00 C ATOM 979 C PRO A 65 12.124 11.294 6.099 1.00 0.00 C ATOM 980 O PRO A 65 12.749 10.605 5.294 1.00 0.00 O ATOM 981 CB PRO A 65 12.980 10.473 8.349 1.00 0.00 C ATOM 982 CG PRO A 65 13.200 8.970 8.306 1.00 0.00 C ATOM 983 CD PRO A 65 11.949 8.331 7.726 1.00 0.00 C ATOM 0 HA PRO A 65 11.129 11.506 7.926 1.00 0.00 H new ATOM 0 HB2 PRO A 65 13.853 11.007 7.973 1.00 0.00 H new ATOM 0 HB3 PRO A 65 12.813 10.814 9.371 1.00 0.00 H new ATOM 0 HG2 PRO A 65 14.070 8.729 7.695 1.00 0.00 H new ATOM 0 HG3 PRO A 65 13.397 8.584 9.306 1.00 0.00 H new ATOM 0 HD2 PRO A 65 12.184 7.718 6.856 1.00 0.00 H new ATOM 0 HD3 PRO A 65 11.463 7.680 8.453 1.00 0.00 H new ATOM 991 N SER A 66 11.715 12.533 5.868 1.00 0.00 N ATOM 992 CA SER A 66 11.987 13.186 4.599 1.00 0.00 C ATOM 993 C SER A 66 11.369 12.384 3.453 1.00 0.00 C ATOM 994 O SER A 66 11.003 11.223 3.630 1.00 0.00 O ATOM 995 CB SER A 66 13.492 13.354 4.378 1.00 0.00 C ATOM 996 OG SER A 66 13.778 14.159 3.238 1.00 0.00 O ATOM 0 H SER A 66 11.197 13.102 6.538 1.00 0.00 H new ATOM 0 HA SER A 66 11.537 14.178 4.622 1.00 0.00 H new ATOM 0 HB2 SER A 66 13.940 13.806 5.263 1.00 0.00 H new ATOM 0 HB3 SER A 66 13.952 12.374 4.254 1.00 0.00 H new ATOM 0 HG SER A 66 14.749 14.243 3.132 1.00 0.00 H new ATOM 1002 N SER A 67 11.270 13.034 2.303 1.00 0.00 N ATOM 1003 CA SER A 67 10.702 12.395 1.128 1.00 0.00 C ATOM 1004 C SER A 67 9.266 11.951 1.417 1.00 0.00 C ATOM 1005 O SER A 67 9.043 11.041 2.213 1.00 0.00 O ATOM 1006 CB SER A 67 11.549 11.200 0.687 1.00 0.00 C ATOM 1007 OG SER A 67 11.997 11.331 -0.659 1.00 0.00 O ATOM 0 H SER A 67 11.574 13.997 2.160 1.00 0.00 H new ATOM 0 HA SER A 67 10.695 13.120 0.314 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.410 11.103 1.348 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.965 10.285 0.787 1.00 0.00 H new ATOM 0 HG SER A 67 12.536 10.549 -0.902 1.00 0.00 H new ATOM 1013 N GLY A 68 8.331 12.615 0.754 1.00 0.00 N ATOM 1014 CA GLY A 68 6.923 12.300 0.929 1.00 0.00 C ATOM 1015 C GLY A 68 6.046 13.214 0.071 1.00 0.00 C ATOM 1016 O GLY A 68 6.533 13.850 -0.862 1.00 0.00 O ATOM 0 H GLY A 68 8.521 13.370 0.095 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.743 11.259 0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 68 6.650 12.409 1.979 1.00 0.00 H new TER 1020 GLY A 68