USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=16 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) 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 :FLIP amide:sc= -0.801 F(o=-3.5!,f=-0.8) USER MOD Single : A 22 ASN : amide:sc= -0.221 K(o=-0.22,f=-2.2!) USER MOD Single : A 25 SER OG : rot 41:sc= 0.0535 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.45 K(o=-0.45,f=-1.7) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.166 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.0488 X(o=-0.049,f=-0.47) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= 0.00853 USER MOD Single : A 57 ASN : amide:sc= -0.0771 K(o=-0.077,f=-1.6!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 45:sc= 0.835 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.457 13.198 -10.266 1.00 0.00 N ATOM 2 CA GLY A 1 10.167 13.749 -11.579 1.00 0.00 C ATOM 3 C GLY A 1 8.862 14.548 -11.562 1.00 0.00 C ATOM 4 O GLY A 1 8.802 15.632 -10.985 1.00 0.00 O ATOM 0 H1 GLY A 1 11.347 12.661 -10.304 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.549 13.972 -9.577 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.683 12.566 -9.976 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.987 14.392 -11.897 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.094 12.942 -12.308 1.00 0.00 H new ATOM 8 N SER A 2 7.850 13.981 -12.202 1.00 0.00 N ATOM 9 CA SER A 2 6.550 14.627 -12.268 1.00 0.00 C ATOM 10 C SER A 2 5.738 14.297 -11.014 1.00 0.00 C ATOM 11 O SER A 2 5.866 13.209 -10.455 1.00 0.00 O ATOM 12 CB SER A 2 5.786 14.201 -13.523 1.00 0.00 C ATOM 13 OG SER A 2 6.281 14.845 -14.694 1.00 0.00 O ATOM 0 H SER A 2 7.904 13.081 -12.680 1.00 0.00 H new ATOM 0 HA SER A 2 6.706 15.705 -12.319 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.862 13.120 -13.644 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.728 14.435 -13.400 1.00 0.00 H new ATOM 0 HG SER A 2 5.768 14.545 -15.474 1.00 0.00 H new ATOM 19 N SER A 3 4.919 15.257 -10.608 1.00 0.00 N ATOM 20 CA SER A 3 4.086 15.082 -9.431 1.00 0.00 C ATOM 21 C SER A 3 2.620 14.939 -9.844 1.00 0.00 C ATOM 22 O SER A 3 1.845 15.888 -9.734 1.00 0.00 O ATOM 23 CB SER A 3 4.252 16.252 -8.460 1.00 0.00 C ATOM 24 OG SER A 3 3.892 15.896 -7.128 1.00 0.00 O ATOM 0 H SER A 3 4.815 16.158 -11.074 1.00 0.00 H new ATOM 0 HA SER A 3 4.403 14.173 -8.920 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.287 16.593 -8.477 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.636 17.088 -8.791 1.00 0.00 H new ATOM 0 HG SER A 3 4.013 16.669 -6.539 1.00 0.00 H new ATOM 30 N GLY A 4 2.283 13.746 -10.310 1.00 0.00 N ATOM 31 CA GLY A 4 0.923 13.466 -10.740 1.00 0.00 C ATOM 32 C GLY A 4 0.127 12.781 -9.628 1.00 0.00 C ATOM 33 O GLY A 4 -0.694 13.415 -8.967 1.00 0.00 O ATOM 0 H GLY A 4 2.928 12.961 -10.400 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.430 14.395 -11.026 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.941 12.829 -11.624 1.00 0.00 H new ATOM 37 N SER A 5 0.397 11.495 -9.457 1.00 0.00 N ATOM 38 CA SER A 5 -0.285 10.717 -8.437 1.00 0.00 C ATOM 39 C SER A 5 0.639 10.505 -7.236 1.00 0.00 C ATOM 40 O SER A 5 1.852 10.376 -7.396 1.00 0.00 O ATOM 41 CB SER A 5 -0.751 9.369 -8.992 1.00 0.00 C ATOM 42 OG SER A 5 0.344 8.525 -9.334 1.00 0.00 O ATOM 0 H SER A 5 1.079 10.973 -10.008 1.00 0.00 H new ATOM 0 HA SER A 5 -1.167 11.272 -8.116 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.377 8.869 -8.252 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.370 9.535 -9.874 1.00 0.00 H new ATOM 0 HG SER A 5 0.005 7.674 -9.683 1.00 0.00 H new ATOM 48 N SER A 6 0.031 10.476 -6.059 1.00 0.00 N ATOM 49 CA SER A 6 0.784 10.281 -4.832 1.00 0.00 C ATOM 50 C SER A 6 0.543 8.872 -4.287 1.00 0.00 C ATOM 51 O SER A 6 -0.527 8.583 -3.754 1.00 0.00 O ATOM 52 CB SER A 6 0.405 11.328 -3.782 1.00 0.00 C ATOM 53 OG SER A 6 0.813 10.942 -2.472 1.00 0.00 O ATOM 0 H SER A 6 -0.975 10.584 -5.929 1.00 0.00 H new ATOM 0 HA SER A 6 1.844 10.399 -5.059 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.865 12.282 -4.039 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.674 11.481 -3.795 1.00 0.00 H new ATOM 0 HG SER A 6 0.555 11.637 -1.831 1.00 0.00 H new ATOM 59 N GLY A 7 1.556 8.032 -4.441 1.00 0.00 N ATOM 60 CA GLY A 7 1.468 6.660 -3.971 1.00 0.00 C ATOM 61 C GLY A 7 1.350 6.608 -2.447 1.00 0.00 C ATOM 62 O GLY A 7 1.833 7.502 -1.753 1.00 0.00 O ATOM 0 H GLY A 7 2.442 8.275 -4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.604 6.172 -4.423 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.351 6.105 -4.290 1.00 0.00 H new ATOM 66 N LYS A 8 0.705 5.554 -1.970 1.00 0.00 N ATOM 67 CA LYS A 8 0.518 5.374 -0.541 1.00 0.00 C ATOM 68 C LYS A 8 1.129 4.038 -0.115 1.00 0.00 C ATOM 69 O LYS A 8 1.258 3.123 -0.927 1.00 0.00 O ATOM 70 CB LYS A 8 -0.960 5.521 -0.171 1.00 0.00 C ATOM 71 CG LYS A 8 -1.152 6.591 0.904 1.00 0.00 C ATOM 72 CD LYS A 8 -2.606 6.636 1.379 1.00 0.00 C ATOM 73 CE LYS A 8 -2.682 6.793 2.899 1.00 0.00 C ATOM 74 NZ LYS A 8 -2.243 8.148 3.303 1.00 0.00 N ATOM 0 H LYS A 8 0.305 4.815 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 8 1.040 6.154 0.013 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.536 5.784 -1.058 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.345 4.567 0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.496 6.384 1.749 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.865 7.565 0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.124 7.466 0.898 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.119 5.723 1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.703 6.619 3.238 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.055 6.043 3.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.301 8.238 4.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.261 8.301 2.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.859 8.859 2.859 1.00 0.00 H new ATOM 88 N TYR A 9 1.488 3.967 1.159 1.00 0.00 N ATOM 89 CA TYR A 9 2.082 2.757 1.703 1.00 0.00 C ATOM 90 C TYR A 9 1.659 2.545 3.157 1.00 0.00 C ATOM 91 O TYR A 9 0.961 3.379 3.733 1.00 0.00 O ATOM 92 CB TYR A 9 3.596 2.971 1.651 1.00 0.00 C ATOM 93 CG TYR A 9 4.123 3.360 0.268 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.078 4.677 -0.142 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.642 2.394 -0.570 1.00 0.00 C ATOM 96 CE1 TYR A 9 4.573 5.044 -1.443 1.00 0.00 C ATOM 97 CE2 TYR A 9 5.138 2.761 -1.871 1.00 0.00 C ATOM 98 CZ TYR A 9 5.079 4.068 -2.244 1.00 0.00 C ATOM 99 OH TYR A 9 5.547 4.414 -3.473 1.00 0.00 O ATOM 0 H TYR A 9 1.379 4.728 1.830 1.00 0.00 H new ATOM 0 HA TYR A 9 1.763 1.883 1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.867 3.750 2.364 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.093 2.056 1.974 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.671 5.433 0.514 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.676 1.363 -0.250 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.543 6.071 -1.776 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.548 2.015 -2.536 1.00 0.00 H new ATOM 0 HH TYR A 9 5.879 3.615 -3.933 1.00 0.00 H new ATOM 109 N VAL A 10 2.098 1.424 3.711 1.00 0.00 N ATOM 110 CA VAL A 10 1.774 1.091 5.087 1.00 0.00 C ATOM 111 C VAL A 10 3.030 0.575 5.792 1.00 0.00 C ATOM 112 O VAL A 10 3.829 -0.146 5.196 1.00 0.00 O ATOM 113 CB VAL A 10 0.614 0.094 5.125 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.053 -1.277 4.609 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.028 -0.012 6.534 1.00 0.00 C ATOM 0 H VAL A 10 2.676 0.734 3.231 1.00 0.00 H new ATOM 0 HA VAL A 10 1.440 1.978 5.626 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.169 0.466 4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.210 -1.967 4.647 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.400 -1.184 3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.862 -1.658 5.232 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.795 -0.727 6.533 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.801 -0.349 7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.340 0.964 6.849 1.00 0.00 H new ATOM 125 N LYS A 11 3.164 0.962 7.052 1.00 0.00 N ATOM 126 CA LYS A 11 4.309 0.547 7.844 1.00 0.00 C ATOM 127 C LYS A 11 3.895 -0.600 8.769 1.00 0.00 C ATOM 128 O LYS A 11 3.071 -0.414 9.663 1.00 0.00 O ATOM 129 CB LYS A 11 4.913 1.744 8.582 1.00 0.00 C ATOM 130 CG LYS A 11 5.903 1.285 9.654 1.00 0.00 C ATOM 131 CD LYS A 11 7.220 0.827 9.024 1.00 0.00 C ATOM 132 CE LYS A 11 8.378 0.965 10.014 1.00 0.00 C ATOM 133 NZ LYS A 11 8.901 2.350 10.009 1.00 0.00 N ATOM 0 H LYS A 11 2.499 1.558 7.544 1.00 0.00 H new ATOM 0 HA LYS A 11 5.101 0.167 7.198 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.419 2.397 7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.118 2.330 9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.094 2.101 10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.468 0.468 10.230 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.132 -0.211 8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.426 1.419 8.133 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.041 0.701 11.016 1.00 0.00 H new ATOM 0 HE3 LYS A 11 9.174 0.268 9.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.687 2.427 10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.241 2.589 9.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.143 3.008 10.282 1.00 0.00 H new ATOM 147 N ILE A 12 4.486 -1.759 8.522 1.00 0.00 N ATOM 148 CA ILE A 12 4.189 -2.936 9.320 1.00 0.00 C ATOM 149 C ILE A 12 4.656 -2.702 10.759 1.00 0.00 C ATOM 150 O ILE A 12 5.719 -2.127 10.984 1.00 0.00 O ATOM 151 CB ILE A 12 4.789 -4.187 8.676 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.515 -4.213 7.171 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.291 -5.455 9.371 1.00 0.00 C ATOM 154 CD1 ILE A 12 3.049 -3.890 6.875 1.00 0.00 C ATOM 0 H ILE A 12 5.170 -1.908 7.780 1.00 0.00 H new ATOM 0 HA ILE A 12 3.113 -3.109 9.356 1.00 0.00 H new ATOM 0 HB ILE A 12 5.871 -4.153 8.806 1.00 0.00 H new ATOM 0 HG12 ILE A 12 5.159 -3.491 6.668 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.763 -5.196 6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 12 4.733 -6.329 8.893 1.00 0.00 H new ATOM 0 HG22 ILE A 12 4.579 -5.431 10.422 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.205 -5.510 9.294 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.881 -3.915 5.798 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.409 -4.627 7.359 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.811 -2.897 7.256 1.00 0.00 H new ATOM 166 N LEU A 13 3.837 -3.159 11.694 1.00 0.00 N ATOM 167 CA LEU A 13 4.152 -3.006 13.105 1.00 0.00 C ATOM 168 C LEU A 13 4.531 -4.368 13.688 1.00 0.00 C ATOM 169 O LEU A 13 5.190 -4.442 14.724 1.00 0.00 O ATOM 170 CB LEU A 13 2.998 -2.321 13.841 1.00 0.00 C ATOM 171 CG LEU A 13 2.501 -1.008 13.233 1.00 0.00 C ATOM 172 CD1 LEU A 13 1.334 -0.437 14.042 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.645 -0.002 13.090 1.00 0.00 C ATOM 0 H LEU A 13 2.956 -3.635 11.503 1.00 0.00 H new ATOM 0 HA LEU A 13 5.014 -2.352 13.234 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.160 -3.016 13.889 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.311 -2.128 14.867 1.00 0.00 H new ATOM 0 HG LEU A 13 2.128 -1.216 12.230 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.999 0.496 13.589 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.512 -1.152 14.049 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.659 -0.248 15.065 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.264 0.922 12.655 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.071 0.207 14.071 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.416 -0.418 12.441 1.00 0.00 H new ATOM 185 N TYR A 14 4.099 -5.413 12.998 1.00 0.00 N ATOM 186 CA TYR A 14 4.385 -6.769 13.435 1.00 0.00 C ATOM 187 C TYR A 14 4.712 -7.672 12.244 1.00 0.00 C ATOM 188 O TYR A 14 4.057 -7.597 11.206 1.00 0.00 O ATOM 189 CB TYR A 14 3.106 -7.275 14.106 1.00 0.00 C ATOM 190 CG TYR A 14 2.634 -6.410 15.277 1.00 0.00 C ATOM 191 CD1 TYR A 14 1.871 -5.284 15.039 1.00 0.00 C ATOM 192 CD2 TYR A 14 2.970 -6.755 16.570 1.00 0.00 C ATOM 193 CE1 TYR A 14 1.427 -4.470 16.141 1.00 0.00 C ATOM 194 CE2 TYR A 14 2.526 -5.941 17.671 1.00 0.00 C ATOM 195 CZ TYR A 14 1.776 -4.839 17.402 1.00 0.00 C ATOM 196 OH TYR A 14 1.356 -4.070 18.443 1.00 0.00 O ATOM 0 H TYR A 14 3.553 -5.348 12.139 1.00 0.00 H new ATOM 0 HA TYR A 14 5.243 -6.782 14.107 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.312 -7.324 13.361 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.272 -8.292 14.462 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.607 -5.014 14.027 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.566 -7.636 16.756 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.830 -3.586 15.969 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.783 -6.200 18.688 1.00 0.00 H new ATOM 0 HH TYR A 14 1.679 -4.454 19.285 1.00 0.00 H new ATOM 206 N ASP A 15 5.726 -8.504 12.434 1.00 0.00 N ATOM 207 CA ASP A 15 6.148 -9.419 11.388 1.00 0.00 C ATOM 208 C ASP A 15 5.097 -10.519 11.223 1.00 0.00 C ATOM 209 O ASP A 15 4.888 -11.323 12.129 1.00 0.00 O ATOM 210 CB ASP A 15 7.478 -10.087 11.744 1.00 0.00 C ATOM 211 CG ASP A 15 7.642 -10.455 13.220 1.00 0.00 C ATOM 212 OD1 ASP A 15 6.877 -11.333 13.674 1.00 0.00 O ATOM 213 OD2 ASP A 15 8.528 -9.850 13.861 1.00 0.00 O ATOM 0 H ASP A 15 6.267 -8.563 13.297 1.00 0.00 H new ATOM 0 HA ASP A 15 6.266 -8.847 10.468 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.585 -10.992 11.145 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.291 -9.419 11.459 1.00 0.00 H new ATOM 218 N PHE A 16 4.463 -10.517 10.059 1.00 0.00 N ATOM 219 CA PHE A 16 3.438 -11.504 9.764 1.00 0.00 C ATOM 220 C PHE A 16 3.957 -12.555 8.781 1.00 0.00 C ATOM 221 O PHE A 16 4.750 -12.243 7.894 1.00 0.00 O ATOM 222 CB PHE A 16 2.268 -10.756 9.123 1.00 0.00 C ATOM 223 CG PHE A 16 1.079 -11.650 8.766 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.329 -12.210 9.754 1.00 0.00 C ATOM 225 CD2 PHE A 16 0.770 -11.884 7.463 1.00 0.00 C ATOM 226 CE1 PHE A 16 -0.775 -13.039 9.423 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.334 -12.714 7.132 1.00 0.00 C ATOM 228 CZ PHE A 16 -1.083 -13.273 8.119 1.00 0.00 C ATOM 0 H PHE A 16 4.639 -9.848 9.310 1.00 0.00 H new ATOM 0 HA PHE A 16 3.140 -12.017 10.679 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.931 -9.976 9.806 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.620 -10.258 8.219 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.574 -12.024 10.789 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.364 -11.438 6.679 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.370 -13.484 10.207 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.578 -12.901 6.097 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.923 -13.903 7.868 1.00 0.00 H new ATOM 238 N THR A 17 3.487 -13.780 8.971 1.00 0.00 N ATOM 239 CA THR A 17 3.893 -14.879 8.112 1.00 0.00 C ATOM 240 C THR A 17 2.683 -15.454 7.373 1.00 0.00 C ATOM 241 O THR A 17 1.930 -16.248 7.933 1.00 0.00 O ATOM 242 CB THR A 17 4.624 -15.909 8.975 1.00 0.00 C ATOM 243 OG1 THR A 17 5.810 -15.237 9.389 1.00 0.00 O ATOM 244 CG2 THR A 17 5.135 -17.099 8.160 1.00 0.00 C ATOM 0 H THR A 17 2.829 -14.035 9.707 1.00 0.00 H new ATOM 0 HA THR A 17 4.578 -14.541 7.335 1.00 0.00 H new ATOM 0 HB THR A 17 3.955 -16.266 9.758 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.343 -15.833 9.955 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.646 -17.800 8.820 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.294 -17.600 7.680 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.830 -16.746 7.398 1.00 0.00 H new ATOM 252 N ALA A 18 2.535 -15.030 6.126 1.00 0.00 N ATOM 253 CA ALA A 18 1.429 -15.493 5.305 1.00 0.00 C ATOM 254 C ALA A 18 1.212 -16.988 5.546 1.00 0.00 C ATOM 255 O ALA A 18 2.073 -17.804 5.222 1.00 0.00 O ATOM 256 CB ALA A 18 1.715 -15.174 3.837 1.00 0.00 C ATOM 0 H ALA A 18 3.162 -14.371 5.665 1.00 0.00 H new ATOM 0 HA ALA A 18 0.507 -14.978 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.886 -15.521 3.221 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.832 -14.097 3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.632 -15.676 3.528 1.00 0.00 H new ATOM 262 N ARG A 19 0.056 -17.302 6.112 1.00 0.00 N ATOM 263 CA ARG A 19 -0.286 -18.684 6.400 1.00 0.00 C ATOM 264 C ARG A 19 -1.131 -19.269 5.266 1.00 0.00 C ATOM 265 O ARG A 19 -1.311 -20.483 5.185 1.00 0.00 O ATOM 266 CB ARG A 19 -1.060 -18.799 7.715 1.00 0.00 C ATOM 267 CG ARG A 19 -2.284 -17.881 7.712 1.00 0.00 C ATOM 268 CD ARG A 19 -2.168 -16.809 8.797 1.00 0.00 C ATOM 269 NE ARG A 19 -3.500 -16.536 9.383 1.00 0.00 N ATOM 270 CZ ARG A 19 -4.143 -17.375 10.207 1.00 0.00 C ATOM 271 NH1 ARG A 19 -3.582 -18.543 10.546 1.00 0.00 N ATOM 272 NH2 ARG A 19 -5.348 -17.044 10.691 1.00 0.00 N ATOM 0 H ARG A 19 -0.656 -16.622 6.379 1.00 0.00 H new ATOM 0 HA ARG A 19 0.645 -19.243 6.490 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.375 -19.831 7.867 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -0.408 -18.539 8.549 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.385 -17.406 6.736 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.186 -18.471 7.874 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.480 -17.140 9.575 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.753 -15.894 8.373 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.956 -15.655 9.145 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -2.665 -18.794 10.177 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.072 -19.181 11.173 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.775 -16.154 10.432 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.838 -17.682 11.318 1.00 0.00 H new ATOM 286 N ASN A 20 -1.626 -18.379 4.420 1.00 0.00 N ATOM 287 CA ASN A 20 -2.448 -18.791 3.295 1.00 0.00 C ATOM 288 C ASN A 20 -1.810 -18.297 1.995 1.00 0.00 C ATOM 289 O ASN A 20 -0.808 -17.584 2.023 1.00 0.00 O ATOM 290 CB ASN A 20 -3.852 -18.193 3.390 1.00 0.00 C ATOM 291 CG ASN A 20 -4.354 -18.198 4.835 1.00 0.00 C ATOM 292 OD1 ASN A 20 -3.964 -19.257 5.539 1.00 0.00 O flip ATOM 293 ND2 ASN A 20 -5.050 -17.301 5.281 1.00 0.00 N flip ATOM 0 H ASN A 20 -1.474 -17.373 4.491 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.518 -19.879 3.309 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.843 -17.172 3.008 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.537 -18.762 2.761 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.313 -16.516 4.686 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.369 -17.336 6.249 1.00 0.00 H new ATOM 300 N ALA A 21 -2.417 -18.696 0.886 1.00 0.00 N ATOM 301 CA ALA A 21 -1.921 -18.302 -0.421 1.00 0.00 C ATOM 302 C ALA A 21 -2.404 -16.886 -0.740 1.00 0.00 C ATOM 303 O ALA A 21 -1.753 -16.158 -1.489 1.00 0.00 O ATOM 304 CB ALA A 21 -2.374 -19.322 -1.468 1.00 0.00 C ATOM 0 H ALA A 21 -3.247 -19.288 0.867 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.831 -18.288 -0.429 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.002 -19.026 -2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.980 -20.306 -1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.463 -19.362 -1.490 1.00 0.00 H new ATOM 310 N ASN A 22 -3.541 -16.537 -0.156 1.00 0.00 N ATOM 311 CA ASN A 22 -4.118 -15.221 -0.369 1.00 0.00 C ATOM 312 C ASN A 22 -3.639 -14.274 0.733 1.00 0.00 C ATOM 313 O ASN A 22 -4.411 -13.459 1.236 1.00 0.00 O ATOM 314 CB ASN A 22 -5.646 -15.275 -0.314 1.00 0.00 C ATOM 315 CG ASN A 22 -6.232 -15.617 -1.685 1.00 0.00 C ATOM 316 OD1 ASN A 22 -5.545 -15.647 -2.693 1.00 0.00 O ATOM 317 ND2 ASN A 22 -7.538 -15.872 -1.668 1.00 0.00 N ATOM 0 H ASN A 22 -4.078 -17.143 0.464 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.804 -14.870 -1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.961 -16.020 0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.036 -14.314 0.023 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.022 -16.110 -2.534 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.055 -15.830 -0.789 1.00 0.00 H new ATOM 324 N GLU A 23 -2.367 -14.414 1.077 1.00 0.00 N ATOM 325 CA GLU A 23 -1.775 -13.581 2.110 1.00 0.00 C ATOM 326 C GLU A 23 -0.330 -13.232 1.748 1.00 0.00 C ATOM 327 O GLU A 23 0.313 -13.950 0.983 1.00 0.00 O ATOM 328 CB GLU A 23 -1.848 -14.268 3.476 1.00 0.00 C ATOM 329 CG GLU A 23 -3.296 -14.388 3.953 1.00 0.00 C ATOM 330 CD GLU A 23 -3.359 -14.605 5.466 1.00 0.00 C ATOM 331 OE1 GLU A 23 -2.332 -15.057 6.018 1.00 0.00 O ATOM 332 OE2 GLU A 23 -4.432 -14.315 6.038 1.00 0.00 O ATOM 0 H GLU A 23 -1.730 -15.092 0.659 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.346 -12.655 2.174 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.399 -15.259 3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.268 -13.701 4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.846 -13.485 3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.783 -15.219 3.442 1.00 0.00 H new ATOM 339 N LEU A 24 0.139 -12.130 2.315 1.00 0.00 N ATOM 340 CA LEU A 24 1.496 -11.677 2.061 1.00 0.00 C ATOM 341 C LEU A 24 2.287 -11.693 3.370 1.00 0.00 C ATOM 342 O LEU A 24 1.743 -11.395 4.432 1.00 0.00 O ATOM 343 CB LEU A 24 1.485 -10.315 1.365 1.00 0.00 C ATOM 344 CG LEU A 24 2.699 -9.999 0.490 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.618 -10.738 -0.847 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.861 -8.489 0.301 1.00 0.00 C ATOM 0 H LEU A 24 -0.397 -11.538 2.949 1.00 0.00 H new ATOM 0 HA LEU A 24 2.002 -12.355 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.590 -10.253 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.400 -9.540 2.127 1.00 0.00 H new ATOM 0 HG LEU A 24 3.592 -10.357 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.493 -10.496 -1.450 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.587 -11.813 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.716 -10.433 -1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.731 -8.292 -0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.970 -8.085 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.997 -8.013 1.272 1.00 0.00 H new ATOM 358 N SER A 25 3.559 -12.044 3.252 1.00 0.00 N ATOM 359 CA SER A 25 4.431 -12.102 4.413 1.00 0.00 C ATOM 360 C SER A 25 5.263 -10.822 4.507 1.00 0.00 C ATOM 361 O SER A 25 5.994 -10.482 3.578 1.00 0.00 O ATOM 362 CB SER A 25 5.346 -13.327 4.354 1.00 0.00 C ATOM 363 OG SER A 25 5.972 -13.464 3.081 1.00 0.00 O ATOM 0 H SER A 25 4.007 -12.291 2.370 1.00 0.00 H new ATOM 0 HA SER A 25 3.809 -12.189 5.304 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.110 -13.247 5.127 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.766 -14.224 4.571 1.00 0.00 H new ATOM 0 HG SER A 25 6.249 -12.582 2.756 1.00 0.00 H new ATOM 369 N VAL A 26 5.124 -10.145 5.638 1.00 0.00 N ATOM 370 CA VAL A 26 5.854 -8.910 5.866 1.00 0.00 C ATOM 371 C VAL A 26 6.467 -8.936 7.267 1.00 0.00 C ATOM 372 O VAL A 26 5.904 -9.533 8.184 1.00 0.00 O ATOM 373 CB VAL A 26 4.934 -7.709 5.637 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.459 -7.651 4.184 1.00 0.00 C ATOM 375 CG2 VAL A 26 3.747 -7.737 6.602 1.00 0.00 C ATOM 0 H VAL A 26 4.516 -10.429 6.406 1.00 0.00 H new ATOM 0 HA VAL A 26 6.674 -8.814 5.155 1.00 0.00 H new ATOM 0 HB VAL A 26 5.508 -6.804 5.837 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.807 -6.788 4.049 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.321 -7.562 3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.910 -8.562 3.944 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.109 -6.873 6.419 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.174 -8.651 6.447 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.112 -7.707 7.629 1.00 0.00 H new ATOM 385 N LEU A 27 7.612 -8.281 7.390 1.00 0.00 N ATOM 386 CA LEU A 27 8.308 -8.221 8.664 1.00 0.00 C ATOM 387 C LEU A 27 7.884 -6.956 9.413 1.00 0.00 C ATOM 388 O LEU A 27 7.083 -6.170 8.908 1.00 0.00 O ATOM 389 CB LEU A 27 9.819 -8.335 8.456 1.00 0.00 C ATOM 390 CG LEU A 27 10.402 -9.747 8.534 1.00 0.00 C ATOM 391 CD1 LEU A 27 9.538 -10.741 7.755 1.00 0.00 C ATOM 392 CD2 LEU A 27 11.859 -9.766 8.067 1.00 0.00 C ATOM 0 H LEU A 27 8.076 -7.787 6.628 1.00 0.00 H new ATOM 0 HA LEU A 27 8.031 -9.070 9.289 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.064 -7.916 7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.316 -7.716 9.203 1.00 0.00 H new ATOM 0 HG LEU A 27 10.394 -10.062 9.578 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.975 -11.737 7.827 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.532 -10.755 8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.491 -10.440 6.708 1.00 0.00 H new ATOM 0 HD21 LEU A 27 12.249 -10.782 8.133 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.915 -9.422 7.034 1.00 0.00 H new ATOM 0 HD23 LEU A 27 12.453 -9.108 8.701 1.00 0.00 H new ATOM 404 N LYS A 28 8.440 -6.798 10.605 1.00 0.00 N ATOM 405 CA LYS A 28 8.129 -5.641 11.428 1.00 0.00 C ATOM 406 C LYS A 28 9.013 -4.467 11.004 1.00 0.00 C ATOM 407 O LYS A 28 10.206 -4.640 10.760 1.00 0.00 O ATOM 408 CB LYS A 28 8.245 -5.993 12.913 1.00 0.00 C ATOM 409 CG LYS A 28 8.204 -4.733 13.780 1.00 0.00 C ATOM 410 CD LYS A 28 9.507 -4.564 14.563 1.00 0.00 C ATOM 411 CE LYS A 28 9.373 -5.128 15.979 1.00 0.00 C ATOM 412 NZ LYS A 28 10.575 -5.914 16.339 1.00 0.00 N ATOM 0 H LYS A 28 9.104 -7.451 11.021 1.00 0.00 H new ATOM 0 HA LYS A 28 7.094 -5.333 11.277 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.431 -6.661 13.197 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.176 -6.531 13.091 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.038 -3.859 13.150 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.364 -4.791 14.473 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.318 -5.072 14.041 1.00 0.00 H new ATOM 0 HD3 LYS A 28 9.772 -3.508 14.612 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.237 -4.313 16.690 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.486 -5.758 16.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.468 -6.290 17.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.687 -6.703 15.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.415 -5.302 16.297 1.00 0.00 H new ATOM 426 N ASP A 29 8.394 -3.298 10.930 1.00 0.00 N ATOM 427 CA ASP A 29 9.110 -2.095 10.539 1.00 0.00 C ATOM 428 C ASP A 29 9.300 -2.090 9.021 1.00 0.00 C ATOM 429 O ASP A 29 10.147 -1.366 8.501 1.00 0.00 O ATOM 430 CB ASP A 29 10.493 -2.042 11.190 1.00 0.00 C ATOM 431 CG ASP A 29 10.853 -0.703 11.838 1.00 0.00 C ATOM 432 OD1 ASP A 29 9.970 -0.153 12.531 1.00 0.00 O ATOM 433 OD2 ASP A 29 12.002 -0.260 11.625 1.00 0.00 O ATOM 0 H ASP A 29 7.404 -3.158 11.134 1.00 0.00 H new ATOM 0 HA ASP A 29 8.526 -1.234 10.864 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.551 -2.823 11.949 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.243 -2.276 10.434 1.00 0.00 H new ATOM 438 N GLU A 30 8.499 -2.907 8.354 1.00 0.00 N ATOM 439 CA GLU A 30 8.569 -3.006 6.906 1.00 0.00 C ATOM 440 C GLU A 30 7.499 -2.123 6.261 1.00 0.00 C ATOM 441 O GLU A 30 6.553 -1.702 6.926 1.00 0.00 O ATOM 442 CB GLU A 30 8.429 -4.459 6.448 1.00 0.00 C ATOM 443 CG GLU A 30 9.796 -5.069 6.132 1.00 0.00 C ATOM 444 CD GLU A 30 9.678 -6.154 5.060 1.00 0.00 C ATOM 445 OE1 GLU A 30 8.553 -6.317 4.538 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.714 -6.798 4.787 1.00 0.00 O ATOM 0 H GLU A 30 7.798 -3.507 8.789 1.00 0.00 H new ATOM 0 HA GLU A 30 9.548 -2.651 6.584 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.937 -5.043 7.226 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.793 -4.506 5.564 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.476 -4.289 5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.227 -5.494 7.039 1.00 0.00 H new ATOM 453 N VAL A 31 7.684 -1.867 4.974 1.00 0.00 N ATOM 454 CA VAL A 31 6.747 -1.042 4.233 1.00 0.00 C ATOM 455 C VAL A 31 6.400 -1.732 2.912 1.00 0.00 C ATOM 456 O VAL A 31 7.290 -2.095 2.145 1.00 0.00 O ATOM 457 CB VAL A 31 7.324 0.362 4.040 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.449 1.190 3.097 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.505 1.070 5.384 1.00 0.00 C ATOM 0 H VAL A 31 8.470 -2.217 4.426 1.00 0.00 H new ATOM 0 HA VAL A 31 5.819 -0.923 4.792 1.00 0.00 H new ATOM 0 HB VAL A 31 8.307 0.260 3.581 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.882 2.183 2.977 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.394 0.698 2.126 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.446 1.279 3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.916 2.066 5.218 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.540 1.155 5.884 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.188 0.495 6.009 1.00 0.00 H new ATOM 469 N LEU A 32 5.104 -1.892 2.687 1.00 0.00 N ATOM 470 CA LEU A 32 4.629 -2.532 1.472 1.00 0.00 C ATOM 471 C LEU A 32 3.833 -1.520 0.645 1.00 0.00 C ATOM 472 O LEU A 32 3.658 -0.375 1.060 1.00 0.00 O ATOM 473 CB LEU A 32 3.847 -3.803 1.807 1.00 0.00 C ATOM 474 CG LEU A 32 4.652 -4.937 2.446 1.00 0.00 C ATOM 475 CD1 LEU A 32 5.775 -5.402 1.518 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.178 -4.527 3.823 1.00 0.00 C ATOM 0 H LEU A 32 4.368 -1.590 3.325 1.00 0.00 H new ATOM 0 HA LEU A 32 5.470 -2.855 0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.033 -3.538 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.393 -4.179 0.890 1.00 0.00 H new ATOM 0 HG LEU A 32 3.986 -5.787 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.332 -6.208 1.996 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.348 -5.761 0.582 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.447 -4.568 1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.746 -5.350 4.255 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.824 -3.655 3.721 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.339 -4.283 4.475 1.00 0.00 H new ATOM 488 N GLU A 33 3.371 -1.979 -0.509 1.00 0.00 N ATOM 489 CA GLU A 33 2.598 -1.129 -1.397 1.00 0.00 C ATOM 490 C GLU A 33 1.106 -1.444 -1.268 1.00 0.00 C ATOM 491 O GLU A 33 0.660 -2.522 -1.657 1.00 0.00 O ATOM 492 CB GLU A 33 3.066 -1.279 -2.846 1.00 0.00 C ATOM 493 CG GLU A 33 3.247 0.089 -3.508 1.00 0.00 C ATOM 494 CD GLU A 33 4.234 0.007 -4.674 1.00 0.00 C ATOM 495 OE1 GLU A 33 3.993 -0.839 -5.563 1.00 0.00 O ATOM 496 OE2 GLU A 33 5.206 0.792 -4.651 1.00 0.00 O ATOM 0 H GLU A 33 3.518 -2.929 -0.849 1.00 0.00 H new ATOM 0 HA GLU A 33 2.758 -0.091 -1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.008 -1.827 -2.873 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.339 -1.866 -3.408 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.284 0.454 -3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.607 0.808 -2.772 1.00 0.00 H new ATOM 503 N VAL A 34 0.376 -0.483 -0.720 1.00 0.00 N ATOM 504 CA VAL A 34 -1.056 -0.644 -0.535 1.00 0.00 C ATOM 505 C VAL A 34 -1.763 -0.467 -1.881 1.00 0.00 C ATOM 506 O VAL A 34 -1.570 0.540 -2.560 1.00 0.00 O ATOM 507 CB VAL A 34 -1.558 0.326 0.536 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.505 1.771 0.035 1.00 0.00 C ATOM 509 CG2 VAL A 34 -2.970 -0.045 0.993 1.00 0.00 C ATOM 0 H VAL A 34 0.750 0.410 -0.398 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.284 -1.648 -0.177 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.896 0.246 1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.867 2.440 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.477 2.031 -0.218 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.133 1.872 -0.850 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.303 0.660 1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.650 -0.008 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.965 -1.052 1.409 1.00 0.00 H new ATOM 519 N LEU A 35 -2.568 -1.462 -2.225 1.00 0.00 N ATOM 520 CA LEU A 35 -3.304 -1.429 -3.477 1.00 0.00 C ATOM 521 C LEU A 35 -4.802 -1.322 -3.180 1.00 0.00 C ATOM 522 O LEU A 35 -5.524 -0.602 -3.867 1.00 0.00 O ATOM 523 CB LEU A 35 -2.934 -2.631 -4.349 1.00 0.00 C ATOM 524 CG LEU A 35 -1.560 -3.250 -4.089 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.470 -4.656 -4.685 1.00 0.00 C ATOM 526 CD2 LEU A 35 -0.442 -2.338 -4.600 1.00 0.00 C ATOM 0 H LEU A 35 -2.726 -2.295 -1.659 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.029 -0.548 -4.057 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.691 -3.403 -4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.981 -2.325 -5.394 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.428 -3.348 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.483 -5.073 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.231 -5.292 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.632 -4.606 -5.762 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.525 -2.802 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.559 -2.185 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.494 -1.377 -4.089 1.00 0.00 H new ATOM 538 N GLU A 36 -5.223 -2.050 -2.156 1.00 0.00 N ATOM 539 CA GLU A 36 -6.620 -2.046 -1.760 1.00 0.00 C ATOM 540 C GLU A 36 -6.746 -1.785 -0.258 1.00 0.00 C ATOM 541 O GLU A 36 -6.152 -2.497 0.551 1.00 0.00 O ATOM 542 CB GLU A 36 -7.304 -3.358 -2.148 1.00 0.00 C ATOM 543 CG GLU A 36 -8.085 -3.205 -3.454 1.00 0.00 C ATOM 544 CD GLU A 36 -9.102 -2.067 -3.355 1.00 0.00 C ATOM 545 OE1 GLU A 36 -9.919 -2.117 -2.410 1.00 0.00 O ATOM 546 OE2 GLU A 36 -9.040 -1.172 -4.226 1.00 0.00 O ATOM 0 H GLU A 36 -4.621 -2.647 -1.589 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.125 -1.240 -2.292 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.556 -4.143 -2.257 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.979 -3.670 -1.351 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.394 -3.010 -4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.599 -4.138 -3.686 1.00 0.00 H new ATOM 553 N ASP A 37 -7.522 -0.763 0.071 1.00 0.00 N ATOM 554 CA ASP A 37 -7.732 -0.399 1.462 1.00 0.00 C ATOM 555 C ASP A 37 -9.216 -0.103 1.688 1.00 0.00 C ATOM 556 O ASP A 37 -9.999 -0.076 0.739 1.00 0.00 O ATOM 557 CB ASP A 37 -6.938 0.855 1.829 1.00 0.00 C ATOM 558 CG ASP A 37 -7.545 2.172 1.340 1.00 0.00 C ATOM 559 OD1 ASP A 37 -7.848 2.241 0.129 1.00 0.00 O ATOM 560 OD2 ASP A 37 -7.692 3.079 2.187 1.00 0.00 O ATOM 0 H ASP A 37 -8.013 -0.175 -0.602 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.398 -1.231 2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.838 0.899 2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.932 0.762 1.420 1.00 0.00 H new ATOM 565 N GLY A 38 -9.558 0.113 2.949 1.00 0.00 N ATOM 566 CA GLY A 38 -10.934 0.406 3.312 1.00 0.00 C ATOM 567 C GLY A 38 -11.706 -0.878 3.622 1.00 0.00 C ATOM 568 O GLY A 38 -12.818 -0.828 4.145 1.00 0.00 O ATOM 0 H GLY A 38 -8.906 0.091 3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.952 1.064 4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.423 0.940 2.497 1.00 0.00 H new ATOM 572 N ARG A 39 -11.085 -1.999 3.286 1.00 0.00 N ATOM 573 CA ARG A 39 -11.699 -3.295 3.521 1.00 0.00 C ATOM 574 C ARG A 39 -11.056 -3.974 4.732 1.00 0.00 C ATOM 575 O ARG A 39 -9.999 -3.552 5.197 1.00 0.00 O ATOM 576 CB ARG A 39 -11.555 -4.203 2.299 1.00 0.00 C ATOM 577 CG ARG A 39 -12.895 -4.843 1.930 1.00 0.00 C ATOM 578 CD ARG A 39 -13.583 -4.065 0.807 1.00 0.00 C ATOM 579 NE ARG A 39 -14.993 -3.796 1.167 1.00 0.00 N ATOM 580 CZ ARG A 39 -15.863 -3.158 0.373 1.00 0.00 C ATOM 581 NH1 ARG A 39 -15.473 -2.719 -0.832 1.00 0.00 N ATOM 582 NH2 ARG A 39 -17.123 -2.959 0.783 1.00 0.00 N ATOM 0 H ARG A 39 -10.162 -2.037 2.853 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.759 -3.130 3.713 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.179 -3.625 1.455 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.820 -4.982 2.505 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.735 -5.875 1.618 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.542 -4.872 2.807 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.059 -3.126 0.630 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -13.538 -4.635 -0.121 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.323 -4.117 2.077 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.514 -2.871 -1.144 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.135 -2.233 -1.437 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -17.420 -3.293 1.700 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -17.785 -2.473 0.178 1.00 0.00 H new ATOM 596 N GLN A 40 -11.722 -5.017 5.207 1.00 0.00 N ATOM 597 CA GLN A 40 -11.229 -5.759 6.355 1.00 0.00 C ATOM 598 C GLN A 40 -9.705 -5.878 6.295 1.00 0.00 C ATOM 599 O GLN A 40 -8.997 -5.228 7.064 1.00 0.00 O ATOM 600 CB GLN A 40 -11.883 -7.140 6.437 1.00 0.00 C ATOM 601 CG GLN A 40 -12.762 -7.257 7.685 1.00 0.00 C ATOM 602 CD GLN A 40 -12.097 -8.141 8.742 1.00 0.00 C ATOM 603 OE1 GLN A 40 -10.900 -8.086 8.971 1.00 0.00 O ATOM 604 NE2 GLN A 40 -12.939 -8.957 9.371 1.00 0.00 N ATOM 0 H GLN A 40 -12.598 -5.365 4.818 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.496 -5.212 7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.486 -7.315 5.546 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.112 -7.911 6.457 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.947 -6.266 8.099 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -13.731 -7.675 7.414 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.930 -8.952 9.130 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -12.593 -9.588 10.094 1.00 0.00 H new ATOM 613 N TRP A 41 -9.243 -6.713 5.376 1.00 0.00 N ATOM 614 CA TRP A 41 -7.816 -6.925 5.206 1.00 0.00 C ATOM 615 C TRP A 41 -7.366 -6.144 3.969 1.00 0.00 C ATOM 616 O TRP A 41 -8.042 -6.158 2.942 1.00 0.00 O ATOM 617 CB TRP A 41 -7.489 -8.417 5.122 1.00 0.00 C ATOM 618 CG TRP A 41 -7.603 -9.155 6.458 1.00 0.00 C ATOM 619 CD1 TRP A 41 -8.539 -9.006 7.405 1.00 0.00 C ATOM 620 CD2 TRP A 41 -6.707 -10.169 6.959 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.313 -9.847 8.476 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.164 -10.577 8.196 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.550 -10.724 6.385 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -6.523 -11.556 8.964 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -4.921 -11.702 7.166 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.368 -12.123 8.413 1.00 0.00 C ATOM 0 H TRP A 41 -9.832 -7.251 4.741 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.266 -6.555 6.071 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.159 -8.885 4.401 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.476 -8.535 4.738 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.366 -8.315 7.339 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.884 -9.919 9.318 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.176 -10.420 5.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -6.900 -11.858 9.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.026 -12.161 6.772 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.826 -12.884 8.955 1.00 0.00 H new ATOM 637 N TRP A 42 -6.227 -5.482 4.109 1.00 0.00 N ATOM 638 CA TRP A 42 -5.678 -4.698 3.016 1.00 0.00 C ATOM 639 C TRP A 42 -4.885 -5.640 2.108 1.00 0.00 C ATOM 640 O TRP A 42 -4.530 -6.746 2.514 1.00 0.00 O ATOM 641 CB TRP A 42 -4.840 -3.532 3.544 1.00 0.00 C ATOM 642 CG TRP A 42 -5.629 -2.534 4.395 1.00 0.00 C ATOM 643 CD1 TRP A 42 -6.927 -2.577 4.727 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.114 -1.336 5.014 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.285 -1.499 5.510 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.147 -0.720 5.690 1.00 0.00 C ATOM 647 CE3 TRP A 42 -3.818 -0.791 5.002 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -5.992 0.473 6.405 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -3.679 0.402 5.721 1.00 0.00 C ATOM 650 CH2 TRP A 42 -4.709 1.035 6.407 1.00 0.00 C ATOM 0 H TRP A 42 -5.669 -5.472 4.963 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.477 -4.242 2.431 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.017 -3.929 4.138 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.398 -3.004 2.699 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.607 -3.358 4.420 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.213 -1.308 5.887 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.995 -1.256 4.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -6.817 0.935 6.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.703 0.863 5.744 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.521 1.956 6.939 1.00 0.00 H new ATOM 661 N LYS A 43 -4.631 -5.169 0.896 1.00 0.00 N ATOM 662 CA LYS A 43 -3.887 -5.956 -0.072 1.00 0.00 C ATOM 663 C LYS A 43 -2.596 -5.220 -0.436 1.00 0.00 C ATOM 664 O LYS A 43 -2.611 -4.297 -1.249 1.00 0.00 O ATOM 665 CB LYS A 43 -4.766 -6.291 -1.279 1.00 0.00 C ATOM 666 CG LYS A 43 -4.049 -7.252 -2.229 1.00 0.00 C ATOM 667 CD LYS A 43 -4.511 -7.043 -3.673 1.00 0.00 C ATOM 668 CE LYS A 43 -3.783 -7.994 -4.625 1.00 0.00 C ATOM 669 NZ LYS A 43 -4.657 -8.359 -5.761 1.00 0.00 N ATOM 0 H LYS A 43 -4.927 -4.252 0.562 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.597 -6.915 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.700 -6.739 -0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.025 -5.375 -1.810 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.972 -7.099 -2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.244 -8.281 -1.926 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.586 -7.207 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.326 -6.011 -3.972 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.873 -7.521 -4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.479 -8.893 -4.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.148 -9.005 -6.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.513 -8.829 -5.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.926 -7.500 -6.282 1.00 0.00 H new ATOM 683 N LEU A 44 -1.509 -5.657 0.183 1.00 0.00 N ATOM 684 CA LEU A 44 -0.212 -5.051 -0.066 1.00 0.00 C ATOM 685 C LEU A 44 0.544 -5.883 -1.104 1.00 0.00 C ATOM 686 O LEU A 44 0.152 -7.009 -1.407 1.00 0.00 O ATOM 687 CB LEU A 44 0.553 -4.864 1.246 1.00 0.00 C ATOM 688 CG LEU A 44 -0.267 -4.352 2.433 1.00 0.00 C ATOM 689 CD1 LEU A 44 -1.059 -3.100 2.052 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.169 -5.454 2.991 1.00 0.00 C ATOM 0 H LEU A 44 -1.500 -6.423 0.856 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.333 -4.051 -0.484 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.999 -5.819 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.373 -4.168 1.069 1.00 0.00 H new ATOM 0 HG LEU A 44 0.422 -4.067 3.228 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.633 -2.757 2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.370 -2.315 1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.739 -3.335 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.741 -5.064 3.833 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.854 -5.792 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.556 -6.291 3.325 1.00 0.00 H new ATOM 702 N ARG A 45 1.612 -5.296 -1.622 1.00 0.00 N ATOM 703 CA ARG A 45 2.426 -5.968 -2.620 1.00 0.00 C ATOM 704 C ARG A 45 3.911 -5.823 -2.281 1.00 0.00 C ATOM 705 O ARG A 45 4.427 -4.710 -2.200 1.00 0.00 O ATOM 706 CB ARG A 45 2.171 -5.396 -4.016 1.00 0.00 C ATOM 707 CG ARG A 45 3.043 -6.093 -5.062 1.00 0.00 C ATOM 708 CD ARG A 45 3.259 -5.195 -6.282 1.00 0.00 C ATOM 709 NE ARG A 45 4.013 -3.983 -5.891 1.00 0.00 N ATOM 710 CZ ARG A 45 5.349 -3.919 -5.821 1.00 0.00 C ATOM 711 NH1 ARG A 45 6.088 -4.998 -6.115 1.00 0.00 N ATOM 712 NH2 ARG A 45 5.947 -2.777 -5.456 1.00 0.00 N ATOM 0 H ARG A 45 1.933 -4.361 -1.369 1.00 0.00 H new ATOM 0 HA ARG A 45 2.150 -7.023 -2.616 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.119 -5.516 -4.276 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.379 -4.326 -4.018 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.006 -6.354 -4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.571 -7.026 -5.371 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.804 -5.740 -7.053 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.298 -4.913 -6.711 1.00 0.00 H new ATOM 0 HE ARG A 45 3.482 -3.143 -5.660 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.633 -5.868 -6.392 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.105 -4.949 -6.062 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.385 -1.956 -5.231 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.964 -2.728 -5.403 1.00 0.00 H new ATOM 726 N SER A 46 4.556 -6.965 -2.090 1.00 0.00 N ATOM 727 CA SER A 46 5.971 -6.979 -1.761 1.00 0.00 C ATOM 728 C SER A 46 6.791 -6.490 -2.956 1.00 0.00 C ATOM 729 O SER A 46 6.288 -6.432 -4.077 1.00 0.00 O ATOM 730 CB SER A 46 6.426 -8.378 -1.342 1.00 0.00 C ATOM 731 OG SER A 46 6.855 -9.156 -2.457 1.00 0.00 O ATOM 0 H SER A 46 4.124 -7.887 -2.157 1.00 0.00 H new ATOM 0 HA SER A 46 6.132 -6.307 -0.918 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.241 -8.294 -0.623 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.607 -8.890 -0.837 1.00 0.00 H new ATOM 0 HG SER A 46 7.139 -10.042 -2.148 1.00 0.00 H new ATOM 737 N ARG A 47 8.041 -6.150 -2.676 1.00 0.00 N ATOM 738 CA ARG A 47 8.936 -5.668 -3.714 1.00 0.00 C ATOM 739 C ARG A 47 9.290 -6.801 -4.679 1.00 0.00 C ATOM 740 O ARG A 47 9.779 -6.554 -5.780 1.00 0.00 O ATOM 741 CB ARG A 47 10.223 -5.099 -3.112 1.00 0.00 C ATOM 742 CG ARG A 47 10.514 -3.701 -3.661 1.00 0.00 C ATOM 743 CD ARG A 47 10.037 -2.620 -2.689 1.00 0.00 C ATOM 744 NE ARG A 47 11.164 -1.733 -2.326 1.00 0.00 N ATOM 745 CZ ARG A 47 12.068 -2.016 -1.378 1.00 0.00 C ATOM 746 NH1 ARG A 47 11.982 -3.163 -0.692 1.00 0.00 N ATOM 747 NH2 ARG A 47 13.058 -1.151 -1.117 1.00 0.00 N ATOM 0 H ARG A 47 8.455 -6.199 -1.745 1.00 0.00 H new ATOM 0 HA ARG A 47 8.419 -4.875 -4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.133 -5.056 -2.027 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.058 -5.763 -3.336 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.584 -3.591 -3.836 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.018 -3.574 -4.624 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.237 -2.037 -3.145 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.624 -3.082 -1.792 1.00 0.00 H new ATOM 0 HE ARG A 47 11.259 -0.851 -2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.229 -3.821 -0.891 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.670 -3.379 0.030 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.123 -0.278 -1.640 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.746 -1.366 -0.396 1.00 0.00 H new ATOM 761 N SER A 48 9.029 -8.021 -4.230 1.00 0.00 N ATOM 762 CA SER A 48 9.314 -9.193 -5.040 1.00 0.00 C ATOM 763 C SER A 48 8.300 -9.300 -6.180 1.00 0.00 C ATOM 764 O SER A 48 8.557 -9.962 -7.184 1.00 0.00 O ATOM 765 CB SER A 48 9.295 -10.466 -4.191 1.00 0.00 C ATOM 766 OG SER A 48 10.176 -11.462 -4.703 1.00 0.00 O ATOM 0 H SER A 48 8.623 -8.222 -3.316 1.00 0.00 H new ATOM 0 HA SER A 48 10.314 -9.084 -5.461 1.00 0.00 H new ATOM 0 HB2 SER A 48 9.578 -10.223 -3.167 1.00 0.00 H new ATOM 0 HB3 SER A 48 8.280 -10.863 -4.155 1.00 0.00 H new ATOM 0 HG SER A 48 10.136 -12.258 -4.133 1.00 0.00 H new ATOM 772 N GLY A 49 7.168 -8.639 -5.987 1.00 0.00 N ATOM 773 CA GLY A 49 6.114 -8.652 -6.987 1.00 0.00 C ATOM 774 C GLY A 49 4.946 -9.534 -6.541 1.00 0.00 C ATOM 775 O GLY A 49 4.085 -9.885 -7.347 1.00 0.00 O ATOM 0 H GLY A 49 6.958 -8.091 -5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.761 -7.636 -7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.511 -9.019 -7.934 1.00 0.00 H new ATOM 779 N GLN A 50 4.953 -9.868 -5.259 1.00 0.00 N ATOM 780 CA GLN A 50 3.905 -10.702 -4.697 1.00 0.00 C ATOM 781 C GLN A 50 2.871 -9.839 -3.972 1.00 0.00 C ATOM 782 O GLN A 50 3.228 -8.900 -3.263 1.00 0.00 O ATOM 783 CB GLN A 50 4.491 -11.759 -3.758 1.00 0.00 C ATOM 784 CG GLN A 50 5.596 -12.558 -4.453 1.00 0.00 C ATOM 785 CD GLN A 50 5.009 -13.524 -5.484 1.00 0.00 C ATOM 786 OE1 GLN A 50 4.620 -13.145 -6.577 1.00 0.00 O ATOM 787 NE2 GLN A 50 4.967 -14.789 -5.077 1.00 0.00 N ATOM 0 H GLN A 50 5.668 -9.576 -4.593 1.00 0.00 H new ATOM 0 HA GLN A 50 3.406 -11.224 -5.513 1.00 0.00 H new ATOM 0 HB2 GLN A 50 4.892 -11.277 -2.867 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.702 -12.434 -3.427 1.00 0.00 H new ATOM 0 HG2 GLN A 50 6.290 -11.875 -4.943 1.00 0.00 H new ATOM 0 HG3 GLN A 50 6.168 -13.116 -3.711 1.00 0.00 H new ATOM 0 HE21 GLN A 50 5.309 -15.038 -4.149 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.592 -15.511 -5.693 1.00 0.00 H new ATOM 796 N ALA A 51 1.609 -10.188 -4.177 1.00 0.00 N ATOM 797 CA ALA A 51 0.520 -9.456 -3.552 1.00 0.00 C ATOM 798 C ALA A 51 -0.322 -10.421 -2.714 1.00 0.00 C ATOM 799 O ALA A 51 -0.722 -11.480 -3.196 1.00 0.00 O ATOM 800 CB ALA A 51 -0.304 -8.748 -4.629 1.00 0.00 C ATOM 0 H ALA A 51 1.317 -10.967 -4.767 1.00 0.00 H new ATOM 0 HA ALA A 51 0.908 -8.689 -2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.121 -8.199 -4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.333 -8.053 -5.176 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.712 -9.487 -5.319 1.00 0.00 H new ATOM 806 N GLY A 52 -0.567 -10.020 -1.476 1.00 0.00 N ATOM 807 CA GLY A 52 -1.355 -10.835 -0.567 1.00 0.00 C ATOM 808 C GLY A 52 -2.109 -9.963 0.439 1.00 0.00 C ATOM 809 O GLY A 52 -1.780 -8.792 0.619 1.00 0.00 O ATOM 0 H GLY A 52 -0.234 -9.141 -1.080 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.064 -11.437 -1.135 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.702 -11.528 -0.036 1.00 0.00 H new ATOM 813 N TYR A 53 -3.106 -10.569 1.068 1.00 0.00 N ATOM 814 CA TYR A 53 -3.909 -9.862 2.051 1.00 0.00 C ATOM 815 C TYR A 53 -3.362 -10.077 3.464 1.00 0.00 C ATOM 816 O TYR A 53 -2.757 -11.110 3.748 1.00 0.00 O ATOM 817 CB TYR A 53 -5.312 -10.467 1.963 1.00 0.00 C ATOM 818 CG TYR A 53 -6.100 -10.032 0.726 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.614 -8.754 0.650 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.297 -10.918 -0.313 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.357 -8.345 -0.514 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.039 -10.509 -1.478 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.533 -9.242 -1.521 1.00 0.00 C ATOM 824 OH TYR A 53 -8.234 -8.856 -2.620 1.00 0.00 O ATOM 0 H TYR A 53 -3.376 -11.541 0.916 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.902 -8.790 1.853 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.229 -11.554 1.965 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.873 -10.189 2.855 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.459 -8.060 1.463 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.895 -11.919 -0.253 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.765 -7.348 -0.586 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.200 -11.193 -2.299 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.279 -9.599 -3.257 1.00 0.00 H new ATOM 834 N VAL A 54 -3.593 -9.085 4.311 1.00 0.00 N ATOM 835 CA VAL A 54 -3.130 -9.153 5.687 1.00 0.00 C ATOM 836 C VAL A 54 -4.065 -8.330 6.575 1.00 0.00 C ATOM 837 O VAL A 54 -4.844 -7.517 6.079 1.00 0.00 O ATOM 838 CB VAL A 54 -1.672 -8.698 5.771 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.723 -9.899 5.767 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.333 -7.728 4.638 1.00 0.00 C ATOM 0 H VAL A 54 -4.095 -8.230 4.071 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.157 -10.181 6.050 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.540 -8.169 6.715 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.307 -9.549 5.827 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.940 -10.537 6.624 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.860 -10.468 4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.291 -7.421 4.722 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.490 -8.220 3.678 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.977 -6.851 4.705 1.00 0.00 H new ATOM 850 N PRO A 55 -3.955 -8.576 7.908 1.00 0.00 N ATOM 851 CA PRO A 55 -4.781 -7.867 8.871 1.00 0.00 C ATOM 852 C PRO A 55 -4.292 -6.430 9.061 1.00 0.00 C ATOM 853 O PRO A 55 -3.094 -6.162 8.976 1.00 0.00 O ATOM 854 CB PRO A 55 -4.700 -8.695 10.143 1.00 0.00 C ATOM 855 CG PRO A 55 -3.471 -9.575 9.990 1.00 0.00 C ATOM 856 CD PRO A 55 -3.044 -9.531 8.532 1.00 0.00 C ATOM 0 HA PRO A 55 -5.815 -7.765 8.543 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.615 -8.055 11.021 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.598 -9.298 10.274 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.666 -9.221 10.634 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.694 -10.598 10.291 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.007 -9.212 8.433 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.121 -10.514 8.067 1.00 0.00 H new ATOM 864 N CYS A 56 -5.244 -5.543 9.313 1.00 0.00 N ATOM 865 CA CYS A 56 -4.925 -4.140 9.515 1.00 0.00 C ATOM 866 C CYS A 56 -4.538 -3.942 10.982 1.00 0.00 C ATOM 867 O CYS A 56 -4.261 -2.822 11.409 1.00 0.00 O ATOM 868 CB CYS A 56 -6.084 -3.231 9.103 1.00 0.00 C ATOM 869 SG CYS A 56 -7.519 -3.508 10.205 1.00 0.00 S ATOM 0 H CYS A 56 -6.236 -5.769 9.382 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.086 -3.860 8.878 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.774 -2.187 9.152 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.365 -3.432 8.069 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.497 -2.730 9.848 1.00 0.00 H new ATOM 875 N ASN A 57 -4.530 -5.047 11.713 1.00 0.00 N ATOM 876 CA ASN A 57 -4.182 -5.008 13.123 1.00 0.00 C ATOM 877 C ASN A 57 -2.673 -4.800 13.266 1.00 0.00 C ATOM 878 O ASN A 57 -2.196 -4.393 14.324 1.00 0.00 O ATOM 879 CB ASN A 57 -4.545 -6.323 13.816 1.00 0.00 C ATOM 880 CG ASN A 57 -4.655 -6.133 15.331 1.00 0.00 C ATOM 881 OD1 ASN A 57 -4.884 -5.043 15.830 1.00 0.00 O ATOM 882 ND2 ASN A 57 -4.480 -7.250 16.030 1.00 0.00 N ATOM 0 H ASN A 57 -4.759 -5.974 11.355 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.737 -4.191 13.585 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.491 -6.696 13.423 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.789 -7.076 13.594 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.534 -7.228 17.048 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.291 -8.129 15.548 1.00 0.00 H new ATOM 889 N ILE A 58 -1.963 -5.090 12.185 1.00 0.00 N ATOM 890 CA ILE A 58 -0.518 -4.939 12.176 1.00 0.00 C ATOM 891 C ILE A 58 -0.138 -3.751 11.290 1.00 0.00 C ATOM 892 O ILE A 58 0.977 -3.240 11.375 1.00 0.00 O ATOM 893 CB ILE A 58 0.155 -6.251 11.767 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.191 -6.618 10.323 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.196 -7.375 12.744 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.295 -8.028 9.983 1.00 0.00 C ATOM 0 H ILE A 58 -2.362 -5.429 11.309 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.152 -4.718 13.179 1.00 0.00 H new ATOM 0 HB ILE A 58 1.235 -6.110 11.813 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.269 -6.556 10.177 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.264 -5.899 9.642 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.295 -8.296 12.430 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.142 -7.106 13.745 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.276 -7.525 12.754 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.036 -8.263 8.951 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.377 -8.080 10.106 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.181 -8.747 10.649 1.00 0.00 H new ATOM 908 N LEU A 59 -1.088 -3.347 10.459 1.00 0.00 N ATOM 909 CA LEU A 59 -0.867 -2.229 9.558 1.00 0.00 C ATOM 910 C LEU A 59 -0.847 -0.927 10.362 1.00 0.00 C ATOM 911 O LEU A 59 -1.411 -0.859 11.453 1.00 0.00 O ATOM 912 CB LEU A 59 -1.900 -2.238 8.429 1.00 0.00 C ATOM 913 CG LEU A 59 -1.914 -3.485 7.543 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.025 -3.400 6.494 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.542 -3.720 6.906 1.00 0.00 C ATOM 0 H LEU A 59 -2.012 -3.774 10.391 1.00 0.00 H new ATOM 0 HA LEU A 59 0.104 -2.319 9.071 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.890 -2.118 8.868 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.724 -1.368 7.796 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.130 -4.349 8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.013 -4.299 5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.991 -3.315 6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.864 -2.525 5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.579 -4.612 6.281 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.273 -2.859 6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.204 -3.856 7.689 1.00 0.00 H new ATOM 927 N GLY A 60 -0.190 0.073 9.792 1.00 0.00 N ATOM 928 CA GLY A 60 -0.089 1.368 10.443 1.00 0.00 C ATOM 929 C GLY A 60 -0.125 2.502 9.416 1.00 0.00 C ATOM 930 O GLY A 60 -0.698 2.350 8.338 1.00 0.00 O ATOM 0 H GLY A 60 0.277 0.012 8.887 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.909 1.488 11.151 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.837 1.420 11.015 1.00 0.00 H new ATOM 934 N GLU A 61 0.494 3.613 9.787 1.00 0.00 N ATOM 935 CA GLU A 61 0.540 4.772 8.911 1.00 0.00 C ATOM 936 C GLU A 61 1.960 4.982 8.383 1.00 0.00 C ATOM 937 O GLU A 61 2.932 4.808 9.117 1.00 0.00 O ATOM 938 CB GLU A 61 0.032 6.023 9.630 1.00 0.00 C ATOM 939 CG GLU A 61 0.463 7.292 8.893 1.00 0.00 C ATOM 940 CD GLU A 61 -0.022 8.544 9.628 1.00 0.00 C ATOM 941 OE1 GLU A 61 -1.222 8.569 9.977 1.00 0.00 O ATOM 942 OE2 GLU A 61 0.819 9.448 9.823 1.00 0.00 O ATOM 0 H GLU A 61 0.968 3.735 10.682 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.119 4.588 8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.055 5.990 9.700 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.417 6.042 10.650 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.549 7.315 8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.062 7.282 7.880 1.00 0.00 H new ATOM 949 N ALA A 62 2.036 5.353 7.113 1.00 0.00 N ATOM 950 CA ALA A 62 3.322 5.589 6.478 1.00 0.00 C ATOM 951 C ALA A 62 3.464 7.079 6.162 1.00 0.00 C ATOM 952 O ALA A 62 2.485 7.740 5.818 1.00 0.00 O ATOM 953 CB ALA A 62 3.443 4.714 5.229 1.00 0.00 C ATOM 0 H ALA A 62 1.228 5.496 6.507 1.00 0.00 H new ATOM 0 HA ALA A 62 4.137 5.315 7.148 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.407 4.891 4.753 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.365 3.664 5.511 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.643 4.963 4.532 1.00 0.00 H new ATOM 959 N SER A 63 4.690 7.565 6.290 1.00 0.00 N ATOM 960 CA SER A 63 4.973 8.965 6.023 1.00 0.00 C ATOM 961 C SER A 63 5.813 9.095 4.750 1.00 0.00 C ATOM 962 O SER A 63 5.447 9.829 3.833 1.00 0.00 O ATOM 963 CB SER A 63 5.694 9.617 7.204 1.00 0.00 C ATOM 964 OG SER A 63 5.828 11.025 7.036 1.00 0.00 O ATOM 0 H SER A 63 5.499 7.014 6.575 1.00 0.00 H new ATOM 0 HA SER A 63 4.025 9.484 5.880 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.144 9.412 8.122 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.682 9.170 7.318 1.00 0.00 H new ATOM 0 HG SER A 63 6.292 11.404 7.812 1.00 0.00 H new ATOM 970 N GLY A 64 6.922 8.371 4.736 1.00 0.00 N ATOM 971 CA GLY A 64 7.817 8.396 3.591 1.00 0.00 C ATOM 972 C GLY A 64 9.035 7.501 3.827 1.00 0.00 C ATOM 973 O GLY A 64 9.235 6.997 4.932 1.00 0.00 O ATOM 0 H GLY A 64 7.222 7.764 5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 64 7.284 8.063 2.701 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.144 9.419 3.403 1.00 0.00 H new ATOM 977 N PRO A 65 9.838 7.325 2.744 1.00 0.00 N ATOM 978 CA PRO A 65 11.031 6.499 2.822 1.00 0.00 C ATOM 979 C PRO A 65 12.149 7.221 3.577 1.00 0.00 C ATOM 980 O PRO A 65 13.217 7.472 3.021 1.00 0.00 O ATOM 981 CB PRO A 65 11.392 6.191 1.378 1.00 0.00 C ATOM 982 CG PRO A 65 10.669 7.230 0.537 1.00 0.00 C ATOM 983 CD PRO A 65 9.632 7.906 1.420 1.00 0.00 C ATOM 0 HA PRO A 65 10.869 5.578 3.383 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.470 6.246 1.225 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.082 5.182 1.104 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.375 7.964 0.147 1.00 0.00 H new ATOM 0 HG3 PRO A 65 10.191 6.760 -0.322 1.00 0.00 H new ATOM 0 HD2 PRO A 65 9.770 8.987 1.436 1.00 0.00 H new ATOM 0 HD3 PRO A 65 8.621 7.719 1.058 1.00 0.00 H new ATOM 991 N SER A 66 11.865 7.536 4.832 1.00 0.00 N ATOM 992 CA SER A 66 12.833 8.224 5.669 1.00 0.00 C ATOM 993 C SER A 66 13.083 9.633 5.129 1.00 0.00 C ATOM 994 O SER A 66 13.945 9.831 4.274 1.00 0.00 O ATOM 995 CB SER A 66 14.147 7.444 5.746 1.00 0.00 C ATOM 996 OG SER A 66 14.387 6.930 7.053 1.00 0.00 O ATOM 0 H SER A 66 10.978 7.327 5.290 1.00 0.00 H new ATOM 0 HA SER A 66 12.425 8.295 6.677 1.00 0.00 H new ATOM 0 HB2 SER A 66 14.122 6.621 5.032 1.00 0.00 H new ATOM 0 HB3 SER A 66 14.972 8.094 5.455 1.00 0.00 H new ATOM 0 HG SER A 66 15.234 6.437 7.060 1.00 0.00 H new ATOM 1002 N SER A 67 12.313 10.577 5.651 1.00 0.00 N ATOM 1003 CA SER A 67 12.440 11.963 5.232 1.00 0.00 C ATOM 1004 C SER A 67 11.862 12.889 6.303 1.00 0.00 C ATOM 1005 O SER A 67 10.655 13.121 6.342 1.00 0.00 O ATOM 1006 CB SER A 67 11.741 12.200 3.892 1.00 0.00 C ATOM 1007 OG SER A 67 10.345 11.919 3.961 1.00 0.00 O ATOM 0 H SER A 67 11.599 10.409 6.360 1.00 0.00 H new ATOM 0 HA SER A 67 13.499 12.185 5.103 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.888 13.235 3.585 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.200 11.573 3.128 1.00 0.00 H new ATOM 0 HG SER A 67 9.972 12.312 4.777 1.00 0.00 H new ATOM 1013 N GLY A 68 12.751 13.393 7.147 1.00 0.00 N ATOM 1014 CA GLY A 68 12.344 14.288 8.217 1.00 0.00 C ATOM 1015 C GLY A 68 13.430 15.326 8.506 1.00 0.00 C ATOM 1016 O GLY A 68 14.605 15.094 8.226 1.00 0.00 O ATOM 0 H GLY A 68 13.752 13.198 7.111 1.00 0.00 H new ATOM 0 HA2 GLY A 68 11.418 14.792 7.942 1.00 0.00 H new ATOM 0 HA3 GLY A 68 12.137 13.712 9.119 1.00 0.00 H new TER 1020 GLY A 68