USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=14 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+ -147:sc= 0.00683 (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 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.895 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot -118:sc= 0.91 USER MOD Single : A 19 GLN : amide:sc= -1.09 K(o=-1.1,f=-4!) USER MOD Single : A 20 ASN : amide:sc= -0.592 X(o=-0.59,f=-0.1) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -66:sc= 0.256 USER MOD Single : A 36 ASN : amide:sc= -1.11 K(o=-1.1,f=-4.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 CYS SG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.599 K(o=-0.6,f=-0.054) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.523 -20.418 -2.912 1.00 0.00 N ATOM 2 CA GLY A 1 4.512 -19.841 -4.244 1.00 0.00 C ATOM 3 C GLY A 1 5.084 -18.437 -4.272 1.00 0.00 C ATOM 4 O GLY A 1 6.060 -18.143 -3.582 1.00 0.00 O ATOM 0 H1 GLY A 1 4.674 -21.445 -2.980 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.290 -19.991 -2.355 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.612 -20.232 -2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.086 -20.478 -4.917 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.489 -19.821 -4.620 1.00 0.00 H new ATOM 8 N SER A 2 4.476 -17.568 -5.074 1.00 0.00 N ATOM 9 CA SER A 2 4.934 -16.189 -5.193 1.00 0.00 C ATOM 10 C SER A 2 4.111 -15.264 -4.303 1.00 0.00 C ATOM 11 O SER A 2 2.989 -15.592 -3.917 1.00 0.00 O ATOM 12 CB SER A 2 4.848 -15.725 -6.649 1.00 0.00 C ATOM 13 OG SER A 2 5.891 -16.287 -7.426 1.00 0.00 O ATOM 0 H SER A 2 3.666 -17.795 -5.650 1.00 0.00 H new ATOM 0 HA SER A 2 5.973 -16.148 -4.866 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.883 -16.011 -7.069 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.904 -14.637 -6.691 1.00 0.00 H new ATOM 0 HG SER A 2 5.813 -15.977 -8.352 1.00 0.00 H new ATOM 19 N SER A 3 4.677 -14.105 -3.980 1.00 0.00 N ATOM 20 CA SER A 3 3.997 -13.133 -3.132 1.00 0.00 C ATOM 21 C SER A 3 3.218 -12.127 -3.974 1.00 0.00 C ATOM 22 O SER A 3 3.437 -12.008 -5.179 1.00 0.00 O ATOM 23 CB SER A 3 5.009 -12.400 -2.249 1.00 0.00 C ATOM 24 OG SER A 3 5.789 -13.315 -1.499 1.00 0.00 O ATOM 0 H SER A 3 5.604 -13.817 -4.293 1.00 0.00 H new ATOM 0 HA SER A 3 3.293 -13.671 -2.497 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.661 -11.786 -2.870 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.484 -11.725 -1.573 1.00 0.00 H new ATOM 0 HG SER A 3 6.429 -12.822 -0.944 1.00 0.00 H new ATOM 30 N GLY A 4 2.306 -11.405 -3.330 1.00 0.00 N ATOM 31 CA GLY A 4 1.508 -10.419 -4.034 1.00 0.00 C ATOM 32 C GLY A 4 0.037 -10.500 -3.675 1.00 0.00 C ATOM 33 O GLY A 4 -0.615 -9.478 -3.465 1.00 0.00 O ATOM 0 H GLY A 4 2.106 -11.486 -2.333 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.881 -9.421 -3.802 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.625 -10.561 -5.108 1.00 0.00 H new ATOM 37 N SER A 5 -0.487 -11.720 -3.606 1.00 0.00 N ATOM 38 CA SER A 5 -1.891 -11.930 -3.275 1.00 0.00 C ATOM 39 C SER A 5 -2.200 -11.426 -1.869 1.00 0.00 C ATOM 40 O SER A 5 -3.262 -10.855 -1.621 1.00 0.00 O ATOM 41 CB SER A 5 -2.246 -13.414 -3.386 1.00 0.00 C ATOM 42 OG SER A 5 -1.538 -14.181 -2.428 1.00 0.00 O ATOM 0 H SER A 5 0.040 -12.577 -3.775 1.00 0.00 H new ATOM 0 HA SER A 5 -2.494 -11.364 -3.985 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.318 -13.546 -3.242 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.012 -13.773 -4.388 1.00 0.00 H new ATOM 0 HG SER A 5 -1.784 -15.125 -2.519 1.00 0.00 H new ATOM 48 N SER A 6 -1.263 -11.642 -0.951 1.00 0.00 N ATOM 49 CA SER A 6 -1.435 -11.213 0.432 1.00 0.00 C ATOM 50 C SER A 6 -0.977 -9.770 0.615 1.00 0.00 C ATOM 51 O SER A 6 -1.711 -8.935 1.142 1.00 0.00 O ATOM 52 CB SER A 6 -0.653 -12.131 1.374 1.00 0.00 C ATOM 53 OG SER A 6 -1.027 -11.915 2.724 1.00 0.00 O ATOM 0 H SER A 6 -0.377 -12.111 -1.140 1.00 0.00 H new ATOM 0 HA SER A 6 -2.496 -11.273 0.675 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.834 -13.172 1.105 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.416 -11.952 1.256 1.00 0.00 H new ATOM 0 HG SER A 6 -0.514 -12.515 3.305 1.00 0.00 H new ATOM 59 N GLY A 7 0.244 -9.482 0.173 1.00 0.00 N ATOM 60 CA GLY A 7 0.781 -8.140 0.296 1.00 0.00 C ATOM 61 C GLY A 7 2.167 -8.012 -0.303 1.00 0.00 C ATOM 62 O GLY A 7 2.762 -9.004 -0.726 1.00 0.00 O ATOM 0 H GLY A 7 0.871 -10.155 -0.268 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.109 -7.437 -0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.817 -7.862 1.349 1.00 0.00 H new ATOM 66 N ASP A 8 2.683 -6.789 -0.340 1.00 0.00 N ATOM 67 CA ASP A 8 4.009 -6.535 -0.893 1.00 0.00 C ATOM 68 C ASP A 8 4.696 -5.391 -0.153 1.00 0.00 C ATOM 69 O ASP A 8 4.045 -4.442 0.285 1.00 0.00 O ATOM 70 CB ASP A 8 3.909 -6.207 -2.384 1.00 0.00 C ATOM 71 CG ASP A 8 5.143 -6.635 -3.154 1.00 0.00 C ATOM 72 OD1 ASP A 8 6.218 -6.040 -2.931 1.00 0.00 O ATOM 73 OD2 ASP A 8 5.033 -7.566 -3.979 1.00 0.00 O ATOM 0 H ASP A 8 2.204 -5.958 0.006 1.00 0.00 H new ATOM 0 HA ASP A 8 4.607 -7.437 -0.767 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.033 -6.701 -2.804 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.761 -5.134 -2.508 1.00 0.00 H new ATOM 78 N TYR A 9 6.014 -5.488 -0.017 1.00 0.00 N ATOM 79 CA TYR A 9 6.788 -4.464 0.673 1.00 0.00 C ATOM 80 C TYR A 9 7.193 -3.349 -0.287 1.00 0.00 C ATOM 81 O TYR A 9 7.770 -3.603 -1.345 1.00 0.00 O ATOM 82 CB TYR A 9 8.035 -5.080 1.310 1.00 0.00 C ATOM 83 CG TYR A 9 7.815 -5.562 2.727 1.00 0.00 C ATOM 84 CD1 TYR A 9 6.620 -6.165 3.099 1.00 0.00 C ATOM 85 CD2 TYR A 9 8.804 -5.414 3.692 1.00 0.00 C ATOM 86 CE1 TYR A 9 6.415 -6.605 4.392 1.00 0.00 C ATOM 87 CE2 TYR A 9 8.608 -5.853 4.987 1.00 0.00 C ATOM 88 CZ TYR A 9 7.412 -6.447 5.333 1.00 0.00 C ATOM 89 OH TYR A 9 7.212 -6.886 6.622 1.00 0.00 O ATOM 0 H TYR A 9 6.568 -6.266 -0.376 1.00 0.00 H new ATOM 0 HA TYR A 9 6.161 -4.037 1.456 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.370 -5.918 0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.837 -4.342 1.306 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.838 -6.292 2.365 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.741 -4.948 3.425 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.479 -7.070 4.665 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.387 -5.732 5.725 1.00 0.00 H new ATOM 0 HH TYR A 9 8.011 -6.701 7.158 1.00 0.00 H new ATOM 99 N CYS A 10 6.887 -2.113 0.091 1.00 0.00 N ATOM 100 CA CYS A 10 7.218 -0.956 -0.734 1.00 0.00 C ATOM 101 C CYS A 10 8.020 0.068 0.062 1.00 0.00 C ATOM 102 O CYS A 10 7.643 0.441 1.173 1.00 0.00 O ATOM 103 CB CYS A 10 5.943 -0.312 -1.280 1.00 0.00 C ATOM 104 SG CYS A 10 4.886 -1.443 -2.215 1.00 0.00 S ATOM 0 H CYS A 10 6.410 -1.886 0.964 1.00 0.00 H new ATOM 0 HA CYS A 10 7.829 -1.299 -1.569 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.371 0.098 -0.448 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.218 0.525 -1.921 1.00 0.00 H new ATOM 0 HG CYS A 10 3.832 -0.807 -2.633 1.00 0.00 H new ATOM 110 N LYS A 11 9.130 0.519 -0.514 1.00 0.00 N ATOM 111 CA LYS A 11 9.987 1.501 0.141 1.00 0.00 C ATOM 112 C LYS A 11 9.507 2.920 -0.146 1.00 0.00 C ATOM 113 O LYS A 11 9.279 3.287 -1.299 1.00 0.00 O ATOM 114 CB LYS A 11 11.434 1.336 -0.327 1.00 0.00 C ATOM 115 CG LYS A 11 12.381 2.375 0.249 1.00 0.00 C ATOM 116 CD LYS A 11 13.834 1.966 0.070 1.00 0.00 C ATOM 117 CE LYS A 11 14.781 3.088 0.465 1.00 0.00 C ATOM 118 NZ LYS A 11 16.207 2.707 0.262 1.00 0.00 N ATOM 0 H LYS A 11 9.457 0.220 -1.433 1.00 0.00 H new ATOM 0 HA LYS A 11 9.937 1.331 1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.786 0.342 -0.050 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.464 1.393 -1.415 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.210 3.335 -0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.169 2.514 1.309 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.042 1.083 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.010 1.689 -0.969 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.555 3.978 -0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.620 3.348 1.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.821 3.498 0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.430 1.873 0.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.367 2.483 -0.741 1.00 0.00 H new ATOM 132 N VAL A 12 9.356 3.714 0.909 1.00 0.00 N ATOM 133 CA VAL A 12 8.906 5.093 0.769 1.00 0.00 C ATOM 134 C VAL A 12 10.081 6.033 0.522 1.00 0.00 C ATOM 135 O VAL A 12 10.859 6.322 1.431 1.00 0.00 O ATOM 136 CB VAL A 12 8.141 5.564 2.021 1.00 0.00 C ATOM 137 CG1 VAL A 12 7.748 7.027 1.889 1.00 0.00 C ATOM 138 CG2 VAL A 12 6.916 4.693 2.256 1.00 0.00 C ATOM 0 H VAL A 12 9.539 3.426 1.870 1.00 0.00 H new ATOM 0 HA VAL A 12 8.235 5.121 -0.090 1.00 0.00 H new ATOM 0 HB VAL A 12 8.799 5.467 2.885 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.209 7.341 2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.645 7.636 1.774 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.108 7.155 1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.388 5.040 3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.254 4.756 1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.227 3.658 2.400 1.00 0.00 H new ATOM 148 N ILE A 13 10.203 6.506 -0.714 1.00 0.00 N ATOM 149 CA ILE A 13 11.282 7.414 -1.080 1.00 0.00 C ATOM 150 C ILE A 13 10.836 8.868 -0.976 1.00 0.00 C ATOM 151 O ILE A 13 11.622 9.746 -0.618 1.00 0.00 O ATOM 152 CB ILE A 13 11.784 7.144 -2.511 1.00 0.00 C ATOM 153 CG1 ILE A 13 10.613 7.157 -3.496 1.00 0.00 C ATOM 154 CG2 ILE A 13 12.520 5.814 -2.572 1.00 0.00 C ATOM 155 CD1 ILE A 13 9.917 5.820 -3.625 1.00 0.00 C ATOM 0 H ILE A 13 9.568 6.275 -1.478 1.00 0.00 H new ATOM 0 HA ILE A 13 12.096 7.235 -0.378 1.00 0.00 H new ATOM 0 HB ILE A 13 12.480 7.935 -2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 13 9.888 7.906 -3.176 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.977 7.464 -4.476 1.00 0.00 H new ATOM 0 HG21 ILE A 13 12.869 5.637 -3.590 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.374 5.839 -1.895 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.845 5.011 -2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.098 5.904 -4.339 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.628 5.072 -3.975 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.523 5.520 -2.654 1.00 0.00 H new ATOM 167 N PHE A 14 9.569 9.117 -1.288 1.00 0.00 N ATOM 168 CA PHE A 14 9.017 10.465 -1.229 1.00 0.00 C ATOM 169 C PHE A 14 8.096 10.623 -0.023 1.00 0.00 C ATOM 170 O PHE A 14 7.189 9.823 0.207 1.00 0.00 O ATOM 171 CB PHE A 14 8.250 10.783 -2.515 1.00 0.00 C ATOM 172 CG PHE A 14 9.123 11.309 -3.618 1.00 0.00 C ATOM 173 CD1 PHE A 14 9.833 12.487 -3.455 1.00 0.00 C ATOM 174 CD2 PHE A 14 9.232 10.626 -4.819 1.00 0.00 C ATOM 175 CE1 PHE A 14 10.638 12.974 -4.468 1.00 0.00 C ATOM 176 CE2 PHE A 14 10.035 11.108 -5.835 1.00 0.00 C ATOM 177 CZ PHE A 14 10.738 12.284 -5.660 1.00 0.00 C ATOM 0 H PHE A 14 8.905 8.402 -1.585 1.00 0.00 H new ATOM 0 HA PHE A 14 9.846 11.165 -1.126 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.746 9.881 -2.860 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.475 11.517 -2.294 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.757 13.032 -2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.683 9.707 -4.962 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.188 13.893 -4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.113 10.565 -6.766 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.365 12.663 -6.454 1.00 0.00 H new ATOM 187 N PRO A 15 8.333 11.681 0.768 1.00 0.00 N ATOM 188 CA PRO A 15 7.537 11.969 1.964 1.00 0.00 C ATOM 189 C PRO A 15 6.120 12.419 1.623 1.00 0.00 C ATOM 190 O PRO A 15 5.909 13.164 0.666 1.00 0.00 O ATOM 191 CB PRO A 15 8.310 13.105 2.639 1.00 0.00 C ATOM 192 CG PRO A 15 9.056 13.766 1.532 1.00 0.00 C ATOM 193 CD PRO A 15 9.397 12.676 0.554 1.00 0.00 C ATOM 0 HA PRO A 15 7.412 11.087 2.592 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.635 13.803 3.134 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.989 12.723 3.401 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.449 14.539 1.059 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.958 14.252 1.905 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.403 13.044 -0.472 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.384 12.257 0.748 1.00 0.00 H new ATOM 201 N TYR A 16 5.153 11.962 2.410 1.00 0.00 N ATOM 202 CA TYR A 16 3.756 12.316 2.190 1.00 0.00 C ATOM 203 C TYR A 16 3.003 12.409 3.513 1.00 0.00 C ATOM 204 O TYR A 16 3.212 11.601 4.417 1.00 0.00 O ATOM 205 CB TYR A 16 3.085 11.286 1.280 1.00 0.00 C ATOM 206 CG TYR A 16 1.648 11.618 0.946 1.00 0.00 C ATOM 207 CD1 TYR A 16 1.341 12.586 -0.003 1.00 0.00 C ATOM 208 CD2 TYR A 16 0.598 10.965 1.579 1.00 0.00 C ATOM 209 CE1 TYR A 16 0.030 12.893 -0.310 1.00 0.00 C ATOM 210 CE2 TYR A 16 -0.716 11.265 1.277 1.00 0.00 C ATOM 211 CZ TYR A 16 -0.995 12.229 0.332 1.00 0.00 C ATOM 212 OH TYR A 16 -2.303 12.532 0.028 1.00 0.00 O ATOM 0 H TYR A 16 5.311 11.345 3.207 1.00 0.00 H new ATOM 0 HA TYR A 16 3.727 13.292 1.707 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.655 11.205 0.354 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.121 10.309 1.763 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.141 13.107 -0.509 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.813 10.210 2.320 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.192 13.649 -1.049 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.520 10.747 1.778 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.753 12.877 0.827 1.00 0.00 H new ATOM 222 N GLU A 17 2.124 13.401 3.618 1.00 0.00 N ATOM 223 CA GLU A 17 1.339 13.601 4.830 1.00 0.00 C ATOM 224 C GLU A 17 -0.140 13.329 4.571 1.00 0.00 C ATOM 225 O GLU A 17 -0.762 13.972 3.726 1.00 0.00 O ATOM 226 CB GLU A 17 1.522 15.027 5.354 1.00 0.00 C ATOM 227 CG GLU A 17 0.809 15.289 6.670 1.00 0.00 C ATOM 228 CD GLU A 17 0.498 16.757 6.883 1.00 0.00 C ATOM 229 OE1 GLU A 17 1.450 17.557 6.990 1.00 0.00 O ATOM 230 OE2 GLU A 17 -0.700 17.106 6.942 1.00 0.00 O ATOM 0 H GLU A 17 1.938 14.078 2.878 1.00 0.00 H new ATOM 0 HA GLU A 17 1.694 12.897 5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.586 15.224 5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.155 15.730 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.119 14.717 6.696 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.428 14.930 7.492 1.00 0.00 H new ATOM 237 N ALA A 18 -0.697 12.371 5.305 1.00 0.00 N ATOM 238 CA ALA A 18 -2.102 12.014 5.157 1.00 0.00 C ATOM 239 C ALA A 18 -3.007 13.192 5.504 1.00 0.00 C ATOM 240 O ALA A 18 -3.110 13.586 6.665 1.00 0.00 O ATOM 241 CB ALA A 18 -2.437 10.814 6.030 1.00 0.00 C ATOM 0 H ALA A 18 -0.196 11.828 6.008 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.276 11.750 4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.490 10.559 5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.821 9.965 5.733 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.240 11.057 7.074 1.00 0.00 H new ATOM 247 N GLN A 19 -3.660 13.749 4.489 1.00 0.00 N ATOM 248 CA GLN A 19 -4.555 14.882 4.688 1.00 0.00 C ATOM 249 C GLN A 19 -5.803 14.462 5.457 1.00 0.00 C ATOM 250 O GLN A 19 -6.266 15.176 6.345 1.00 0.00 O ATOM 251 CB GLN A 19 -4.952 15.488 3.340 1.00 0.00 C ATOM 252 CG GLN A 19 -5.975 16.607 3.454 1.00 0.00 C ATOM 253 CD GLN A 19 -5.465 17.784 4.263 1.00 0.00 C ATOM 254 OE1 GLN A 19 -5.043 17.627 5.409 1.00 0.00 O ATOM 255 NE2 GLN A 19 -5.502 18.971 3.669 1.00 0.00 N ATOM 0 H GLN A 19 -3.586 13.434 3.522 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.025 15.633 5.274 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.059 15.872 2.847 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.355 14.702 2.702 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.247 16.948 2.455 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -6.882 16.219 3.917 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.860 19.054 2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.172 19.800 4.164 1.00 0.00 H new ATOM 264 N ASN A 20 -6.343 13.299 5.109 1.00 0.00 N ATOM 265 CA ASN A 20 -7.539 12.784 5.766 1.00 0.00 C ATOM 266 C ASN A 20 -7.253 11.449 6.448 1.00 0.00 C ATOM 267 O ASN A 20 -6.323 10.735 6.072 1.00 0.00 O ATOM 268 CB ASN A 20 -8.673 12.619 4.752 1.00 0.00 C ATOM 269 CG ASN A 20 -8.681 13.720 3.709 1.00 0.00 C ATOM 270 OD1 ASN A 20 -8.423 13.476 2.531 1.00 0.00 O ATOM 271 ND2 ASN A 20 -8.978 14.941 4.140 1.00 0.00 N ATOM 0 H ASN A 20 -5.972 12.695 4.376 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.843 13.503 6.527 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.576 11.653 4.256 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -9.628 12.613 5.277 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.999 15.722 3.485 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -9.185 15.097 5.126 1.00 0.00 H new ATOM 278 N ASP A 21 -8.059 11.119 7.450 1.00 0.00 N ATOM 279 CA ASP A 21 -7.894 9.869 8.184 1.00 0.00 C ATOM 280 C ASP A 21 -7.528 8.729 7.239 1.00 0.00 C ATOM 281 O ASP A 21 -6.513 8.057 7.425 1.00 0.00 O ATOM 282 CB ASP A 21 -9.177 9.526 8.944 1.00 0.00 C ATOM 283 CG ASP A 21 -9.309 8.040 9.215 1.00 0.00 C ATOM 284 OD1 ASP A 21 -9.531 7.279 8.250 1.00 0.00 O ATOM 285 OD2 ASP A 21 -9.192 7.639 10.391 1.00 0.00 O ATOM 0 H ASP A 21 -8.833 11.699 7.773 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.082 10.000 8.899 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.192 10.068 9.890 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.038 9.866 8.369 1.00 0.00 H new ATOM 290 N ASP A 22 -8.360 8.516 6.226 1.00 0.00 N ATOM 291 CA ASP A 22 -8.124 7.457 5.252 1.00 0.00 C ATOM 292 C ASP A 22 -6.663 7.437 4.814 1.00 0.00 C ATOM 293 O ASP A 22 -5.988 6.414 4.920 1.00 0.00 O ATOM 294 CB ASP A 22 -9.031 7.643 4.035 1.00 0.00 C ATOM 295 CG ASP A 22 -10.398 7.017 4.230 1.00 0.00 C ATOM 296 OD1 ASP A 22 -10.822 6.868 5.396 1.00 0.00 O ATOM 297 OD2 ASP A 22 -11.045 6.676 3.218 1.00 0.00 O ATOM 0 H ASP A 22 -9.204 9.063 6.058 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.356 6.503 5.726 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.148 8.708 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.554 7.202 3.160 1.00 0.00 H new ATOM 302 N GLU A 23 -6.182 8.574 4.322 1.00 0.00 N ATOM 303 CA GLU A 23 -4.802 8.686 3.866 1.00 0.00 C ATOM 304 C GLU A 23 -3.832 8.242 4.957 1.00 0.00 C ATOM 305 O GLU A 23 -4.085 8.436 6.147 1.00 0.00 O ATOM 306 CB GLU A 23 -4.493 10.125 3.450 1.00 0.00 C ATOM 307 CG GLU A 23 -5.409 10.652 2.358 1.00 0.00 C ATOM 308 CD GLU A 23 -4.731 11.681 1.474 1.00 0.00 C ATOM 309 OE1 GLU A 23 -3.940 12.490 2.003 1.00 0.00 O ATOM 310 OE2 GLU A 23 -4.991 11.676 0.252 1.00 0.00 O ATOM 0 H GLU A 23 -6.728 9.431 4.229 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.678 8.032 3.003 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.573 10.772 4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.461 10.181 3.105 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.752 9.820 1.743 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.294 11.097 2.814 1.00 0.00 H new ATOM 317 N LEU A 24 -2.720 7.643 4.544 1.00 0.00 N ATOM 318 CA LEU A 24 -1.710 7.170 5.485 1.00 0.00 C ATOM 319 C LEU A 24 -0.498 8.096 5.494 1.00 0.00 C ATOM 320 O LEU A 24 -0.183 8.735 4.490 1.00 0.00 O ATOM 321 CB LEU A 24 -1.278 5.747 5.127 1.00 0.00 C ATOM 322 CG LEU A 24 -0.101 5.183 5.924 1.00 0.00 C ATOM 323 CD1 LEU A 24 -0.588 4.540 7.213 1.00 0.00 C ATOM 324 CD2 LEU A 24 0.678 4.180 5.086 1.00 0.00 C ATOM 0 H LEU A 24 -2.495 7.473 3.564 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.150 7.169 6.482 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.133 5.084 5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.019 5.723 4.068 1.00 0.00 H new ATOM 0 HG LEU A 24 0.566 6.006 6.183 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.264 4.144 7.767 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.101 5.286 7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.276 3.728 6.977 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.512 3.789 5.669 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.021 3.360 4.797 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.060 4.672 4.191 1.00 0.00 H new ATOM 336 N THR A 25 0.182 8.161 6.635 1.00 0.00 N ATOM 337 CA THR A 25 1.360 9.007 6.775 1.00 0.00 C ATOM 338 C THR A 25 2.639 8.212 6.538 1.00 0.00 C ATOM 339 O THR A 25 2.981 7.323 7.319 1.00 0.00 O ATOM 340 CB THR A 25 1.424 9.656 8.170 1.00 0.00 C ATOM 341 OG1 THR A 25 0.166 10.264 8.485 1.00 0.00 O ATOM 342 CG2 THR A 25 2.527 10.701 8.231 1.00 0.00 C ATOM 0 H THR A 25 -0.064 7.637 7.475 1.00 0.00 H new ATOM 0 HA THR A 25 1.277 9.791 6.022 1.00 0.00 H new ATOM 0 HB THR A 25 1.644 8.876 8.899 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.214 10.673 9.374 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.553 11.145 9.226 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.487 10.230 8.019 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.333 11.478 7.492 1.00 0.00 H new ATOM 350 N ILE A 26 3.341 8.537 5.458 1.00 0.00 N ATOM 351 CA ILE A 26 4.584 7.853 5.121 1.00 0.00 C ATOM 352 C ILE A 26 5.748 8.835 5.045 1.00 0.00 C ATOM 353 O ILE A 26 5.581 9.983 4.633 1.00 0.00 O ATOM 354 CB ILE A 26 4.468 7.105 3.779 1.00 0.00 C ATOM 355 CG1 ILE A 26 4.240 8.096 2.636 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.341 6.085 3.837 1.00 0.00 C ATOM 357 CD1 ILE A 26 4.129 7.438 1.279 1.00 0.00 C ATOM 0 H ILE A 26 3.071 9.269 4.801 1.00 0.00 H new ATOM 0 HA ILE A 26 4.773 7.131 5.915 1.00 0.00 H new ATOM 0 HB ILE A 26 5.402 6.575 3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.329 8.661 2.832 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.062 8.812 2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.272 5.565 2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.543 5.364 4.629 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.399 6.594 4.042 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.968 8.201 0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.049 6.896 1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.290 6.743 1.279 1.00 0.00 H new ATOM 369 N LYS A 27 6.930 8.375 5.443 1.00 0.00 N ATOM 370 CA LYS A 27 8.124 9.210 5.417 1.00 0.00 C ATOM 371 C LYS A 27 9.227 8.557 4.590 1.00 0.00 C ATOM 372 O LYS A 27 9.219 7.345 4.376 1.00 0.00 O ATOM 373 CB LYS A 27 8.624 9.465 6.841 1.00 0.00 C ATOM 374 CG LYS A 27 7.658 10.275 7.688 1.00 0.00 C ATOM 375 CD LYS A 27 8.067 10.279 9.152 1.00 0.00 C ATOM 376 CE LYS A 27 6.865 10.456 10.066 1.00 0.00 C ATOM 377 NZ LYS A 27 6.445 11.882 10.161 1.00 0.00 N ATOM 0 H LYS A 27 7.086 7.428 5.787 1.00 0.00 H new ATOM 0 HA LYS A 27 7.861 10.161 4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.808 8.508 7.329 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.579 9.988 6.794 1.00 0.00 H new ATOM 0 HG2 LYS A 27 7.619 11.299 7.318 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.654 9.862 7.591 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.573 9.344 9.392 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.782 11.083 9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.034 9.857 9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.107 10.082 11.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.623 11.960 10.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.229 12.450 10.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.189 12.232 9.216 1.00 0.00 H new ATOM 391 N GLU A 28 10.175 9.367 4.130 1.00 0.00 N ATOM 392 CA GLU A 28 11.284 8.866 3.327 1.00 0.00 C ATOM 393 C GLU A 28 12.192 7.963 4.157 1.00 0.00 C ATOM 394 O GLU A 28 12.803 8.403 5.129 1.00 0.00 O ATOM 395 CB GLU A 28 12.093 10.031 2.752 1.00 0.00 C ATOM 396 CG GLU A 28 13.347 9.595 2.012 1.00 0.00 C ATOM 397 CD GLU A 28 14.315 10.738 1.779 1.00 0.00 C ATOM 398 OE1 GLU A 28 14.535 11.531 2.719 1.00 0.00 O ATOM 399 OE2 GLU A 28 14.852 10.841 0.656 1.00 0.00 O ATOM 0 H GLU A 28 10.197 10.373 4.300 1.00 0.00 H new ATOM 0 HA GLU A 28 10.870 8.280 2.506 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.460 10.601 2.072 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.375 10.702 3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.847 8.812 2.582 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.066 9.161 1.053 1.00 0.00 H new ATOM 406 N GLY A 29 12.273 6.695 3.765 1.00 0.00 N ATOM 407 CA GLY A 29 13.107 5.748 4.483 1.00 0.00 C ATOM 408 C GLY A 29 12.298 4.811 5.357 1.00 0.00 C ATOM 409 O GLY A 29 12.675 4.533 6.496 1.00 0.00 O ATOM 0 H GLY A 29 11.776 6.307 2.963 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.686 5.164 3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.820 6.293 5.102 1.00 0.00 H new ATOM 413 N ASP A 30 11.183 4.323 4.826 1.00 0.00 N ATOM 414 CA ASP A 30 10.319 3.411 5.566 1.00 0.00 C ATOM 415 C ASP A 30 9.518 2.527 4.614 1.00 0.00 C ATOM 416 O ASP A 30 9.000 3.000 3.602 1.00 0.00 O ATOM 417 CB ASP A 30 9.369 4.197 6.471 1.00 0.00 C ATOM 418 CG ASP A 30 10.090 4.865 7.625 1.00 0.00 C ATOM 419 OD1 ASP A 30 10.460 4.157 8.585 1.00 0.00 O ATOM 420 OD2 ASP A 30 10.286 6.097 7.568 1.00 0.00 O ATOM 0 H ASP A 30 10.856 4.544 3.885 1.00 0.00 H new ATOM 0 HA ASP A 30 10.951 2.771 6.182 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.853 4.955 5.881 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.606 3.525 6.863 1.00 0.00 H new ATOM 425 N ILE A 31 9.424 1.244 4.944 1.00 0.00 N ATOM 426 CA ILE A 31 8.687 0.295 4.119 1.00 0.00 C ATOM 427 C ILE A 31 7.267 0.101 4.639 1.00 0.00 C ATOM 428 O ILE A 31 7.036 0.065 5.847 1.00 0.00 O ATOM 429 CB ILE A 31 9.394 -1.072 4.066 1.00 0.00 C ATOM 430 CG1 ILE A 31 10.769 -0.935 3.409 1.00 0.00 C ATOM 431 CG2 ILE A 31 8.540 -2.081 3.313 1.00 0.00 C ATOM 432 CD1 ILE A 31 11.855 -0.498 4.367 1.00 0.00 C ATOM 0 H ILE A 31 9.849 0.837 5.777 1.00 0.00 H new ATOM 0 HA ILE A 31 8.649 0.714 3.114 1.00 0.00 H new ATOM 0 HB ILE A 31 9.534 -1.432 5.085 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.049 -1.891 2.967 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.703 -0.214 2.594 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.053 -3.042 3.284 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.582 -2.196 3.819 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.372 -1.728 2.295 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.802 -0.422 3.833 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.598 0.473 4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.949 -1.230 5.169 1.00 0.00 H new ATOM 444 N VAL A 32 6.318 -0.026 3.717 1.00 0.00 N ATOM 445 CA VAL A 32 4.919 -0.220 4.082 1.00 0.00 C ATOM 446 C VAL A 32 4.352 -1.479 3.435 1.00 0.00 C ATOM 447 O VAL A 32 4.583 -1.743 2.255 1.00 0.00 O ATOM 448 CB VAL A 32 4.059 0.989 3.668 1.00 0.00 C ATOM 449 CG1 VAL A 32 2.618 0.796 4.116 1.00 0.00 C ATOM 450 CG2 VAL A 32 4.636 2.274 4.240 1.00 0.00 C ATOM 0 H VAL A 32 6.492 0.002 2.712 1.00 0.00 H new ATOM 0 HA VAL A 32 4.886 -0.326 5.166 1.00 0.00 H new ATOM 0 HB VAL A 32 4.070 1.066 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.025 1.660 3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.211 -0.103 3.654 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.585 0.693 5.201 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.016 3.118 3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.657 2.211 5.328 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.650 2.416 3.865 1.00 0.00 H new ATOM 460 N THR A 33 3.607 -2.255 4.217 1.00 0.00 N ATOM 461 CA THR A 33 3.007 -3.487 3.721 1.00 0.00 C ATOM 462 C THR A 33 1.761 -3.197 2.893 1.00 0.00 C ATOM 463 O THR A 33 0.780 -2.649 3.398 1.00 0.00 O ATOM 464 CB THR A 33 2.632 -4.433 4.877 1.00 0.00 C ATOM 465 OG1 THR A 33 3.802 -4.773 5.631 1.00 0.00 O ATOM 466 CG2 THR A 33 1.978 -5.701 4.348 1.00 0.00 C ATOM 0 H THR A 33 3.405 -2.052 5.196 1.00 0.00 H new ATOM 0 HA THR A 33 3.753 -3.971 3.092 1.00 0.00 H new ATOM 0 HB THR A 33 1.921 -3.918 5.523 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.410 -5.300 5.072 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.722 -6.354 5.183 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.073 -5.442 3.799 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.670 -6.217 3.683 1.00 0.00 H new ATOM 474 N LEU A 34 1.804 -3.568 1.618 1.00 0.00 N ATOM 475 CA LEU A 34 0.677 -3.349 0.718 1.00 0.00 C ATOM 476 C LEU A 34 -0.537 -4.161 1.158 1.00 0.00 C ATOM 477 O LEU A 34 -0.519 -5.391 1.122 1.00 0.00 O ATOM 478 CB LEU A 34 1.062 -3.722 -0.714 1.00 0.00 C ATOM 479 CG LEU A 34 0.362 -2.936 -1.824 1.00 0.00 C ATOM 480 CD1 LEU A 34 0.682 -1.454 -1.711 1.00 0.00 C ATOM 481 CD2 LEU A 34 0.766 -3.469 -3.191 1.00 0.00 C ATOM 0 H LEU A 34 2.608 -4.022 1.184 1.00 0.00 H new ATOM 0 HA LEU A 34 0.416 -2.291 0.754 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.138 -3.590 -0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.854 -4.782 -0.860 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.715 -3.064 -1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.176 -0.911 -2.509 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.342 -1.081 -0.745 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.758 -1.307 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.259 -2.898 -3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.845 -3.372 -3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.485 -4.519 -3.270 1.00 0.00 H new ATOM 493 N ILE A 35 -1.590 -3.464 1.571 1.00 0.00 N ATOM 494 CA ILE A 35 -2.814 -4.120 2.014 1.00 0.00 C ATOM 495 C ILE A 35 -3.632 -4.616 0.827 1.00 0.00 C ATOM 496 O ILE A 35 -3.990 -5.791 0.755 1.00 0.00 O ATOM 497 CB ILE A 35 -3.684 -3.175 2.864 1.00 0.00 C ATOM 498 CG1 ILE A 35 -2.965 -2.819 4.167 1.00 0.00 C ATOM 499 CG2 ILE A 35 -5.033 -3.814 3.154 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.946 -3.947 5.174 1.00 0.00 C ATOM 0 H ILE A 35 -1.620 -2.445 1.608 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.512 -4.971 2.625 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.853 -2.257 2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.939 -2.529 3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.450 -1.951 4.615 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.636 -3.134 3.755 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.547 -4.021 2.215 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.884 -4.746 3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.420 -3.624 6.073 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.969 -4.222 5.431 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.435 -4.809 4.745 1.00 0.00 H new ATOM 512 N ASN A 36 -3.925 -3.713 -0.102 1.00 0.00 N ATOM 513 CA ASN A 36 -4.701 -4.059 -1.288 1.00 0.00 C ATOM 514 C ASN A 36 -4.330 -3.159 -2.462 1.00 0.00 C ATOM 515 O ASN A 36 -3.932 -2.008 -2.276 1.00 0.00 O ATOM 516 CB ASN A 36 -6.198 -3.944 -0.994 1.00 0.00 C ATOM 517 CG ASN A 36 -6.752 -5.185 -0.322 1.00 0.00 C ATOM 518 OD1 ASN A 36 -6.862 -5.245 0.903 1.00 0.00 O ATOM 519 ND2 ASN A 36 -7.105 -6.184 -1.123 1.00 0.00 N ATOM 0 H ASN A 36 -3.637 -2.736 -0.057 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.469 -5.090 -1.557 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.375 -3.079 -0.355 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.736 -3.768 -1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.485 -7.044 -0.728 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.996 -6.091 -2.133 1.00 0.00 H new ATOM 526 N LYS A 37 -4.465 -3.689 -3.673 1.00 0.00 N ATOM 527 CA LYS A 37 -4.147 -2.935 -4.879 1.00 0.00 C ATOM 528 C LYS A 37 -5.235 -1.910 -5.183 1.00 0.00 C ATOM 529 O LYS A 37 -6.333 -1.974 -4.629 1.00 0.00 O ATOM 530 CB LYS A 37 -3.978 -3.882 -6.069 1.00 0.00 C ATOM 531 CG LYS A 37 -2.732 -4.747 -5.986 1.00 0.00 C ATOM 532 CD LYS A 37 -2.289 -5.220 -7.361 1.00 0.00 C ATOM 533 CE LYS A 37 -0.950 -5.938 -7.298 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.648 -6.659 -8.566 1.00 0.00 N ATOM 0 H LYS A 37 -4.793 -4.639 -3.845 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.210 -2.405 -4.708 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.854 -4.527 -6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.942 -3.296 -6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.926 -4.182 -5.518 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.928 -5.610 -5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.042 -5.889 -7.777 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.214 -4.366 -8.034 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.160 -5.216 -7.094 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.956 -6.647 -6.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.273 -7.136 -8.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.389 -7.366 -8.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.617 -5.980 -9.353 1.00 0.00 H new ATOM 548 N ASP A 38 -4.924 -0.967 -6.066 1.00 0.00 N ATOM 549 CA ASP A 38 -5.877 0.070 -6.444 1.00 0.00 C ATOM 550 C ASP A 38 -6.561 -0.276 -7.763 1.00 0.00 C ATOM 551 O ASP A 38 -6.074 -1.112 -8.526 1.00 0.00 O ATOM 552 CB ASP A 38 -5.172 1.422 -6.561 1.00 0.00 C ATOM 553 CG ASP A 38 -6.134 2.552 -6.869 1.00 0.00 C ATOM 554 OD1 ASP A 38 -6.867 2.975 -5.950 1.00 0.00 O ATOM 555 OD2 ASP A 38 -6.154 3.014 -8.028 1.00 0.00 O ATOM 0 H ASP A 38 -4.020 -0.899 -6.533 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.637 0.131 -5.666 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.649 1.638 -5.629 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.417 1.368 -7.345 1.00 0.00 H new ATOM 560 N CYS A 39 -7.691 0.370 -8.025 1.00 0.00 N ATOM 561 CA CYS A 39 -8.444 0.130 -9.251 1.00 0.00 C ATOM 562 C CYS A 39 -7.543 0.259 -10.476 1.00 0.00 C ATOM 563 O CYS A 39 -6.448 0.815 -10.397 1.00 0.00 O ATOM 564 CB CYS A 39 -9.613 1.110 -9.358 1.00 0.00 C ATOM 565 SG CYS A 39 -10.855 0.921 -8.058 1.00 0.00 S ATOM 0 H CYS A 39 -8.107 1.065 -7.405 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.835 -0.887 -9.214 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.224 2.128 -9.329 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -10.094 0.980 -10.327 1.00 0.00 H new ATOM 0 HG CYS A 39 -11.802 1.795 -8.232 1.00 0.00 H new ATOM 571 N ILE A 40 -8.012 -0.261 -11.605 1.00 0.00 N ATOM 572 CA ILE A 40 -7.249 -0.204 -12.846 1.00 0.00 C ATOM 573 C ILE A 40 -6.420 1.073 -12.924 1.00 0.00 C ATOM 574 O ILE A 40 -5.355 1.098 -13.541 1.00 0.00 O ATOM 575 CB ILE A 40 -8.170 -0.281 -14.078 1.00 0.00 C ATOM 576 CG1 ILE A 40 -8.950 -1.597 -14.078 1.00 0.00 C ATOM 577 CG2 ILE A 40 -7.358 -0.140 -15.356 1.00 0.00 C ATOM 578 CD1 ILE A 40 -10.281 -1.511 -14.790 1.00 0.00 C ATOM 0 H ILE A 40 -8.916 -0.726 -11.686 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.583 -1.067 -12.846 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.883 0.542 -14.032 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -8.343 -2.369 -14.551 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.118 -1.910 -13.048 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.023 -0.196 -16.218 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.844 0.821 -15.356 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.624 -0.944 -15.411 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -10.778 -2.480 -14.750 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -10.906 -0.762 -14.304 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -10.120 -1.228 -15.830 1.00 0.00 H new ATOM 590 N ASP A 41 -6.914 2.132 -12.292 1.00 0.00 N ATOM 591 CA ASP A 41 -6.218 3.413 -12.286 1.00 0.00 C ATOM 592 C ASP A 41 -4.939 3.333 -11.459 1.00 0.00 C ATOM 593 O ASP A 41 -4.968 2.963 -10.286 1.00 0.00 O ATOM 594 CB ASP A 41 -7.129 4.511 -11.734 1.00 0.00 C ATOM 595 CG ASP A 41 -8.377 4.704 -12.574 1.00 0.00 C ATOM 596 OD1 ASP A 41 -8.326 4.413 -13.787 1.00 0.00 O ATOM 597 OD2 ASP A 41 -9.404 5.148 -12.018 1.00 0.00 O ATOM 0 H ASP A 41 -7.794 2.128 -11.777 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.950 3.657 -13.314 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.417 4.261 -10.713 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.576 5.449 -11.689 1.00 0.00 H new ATOM 602 N VAL A 42 -3.816 3.682 -12.080 1.00 0.00 N ATOM 603 CA VAL A 42 -2.526 3.650 -11.401 1.00 0.00 C ATOM 604 C VAL A 42 -2.228 4.983 -10.724 1.00 0.00 C ATOM 605 O VAL A 42 -2.626 6.041 -11.210 1.00 0.00 O ATOM 606 CB VAL A 42 -1.385 3.317 -12.381 1.00 0.00 C ATOM 607 CG1 VAL A 42 -0.128 2.920 -11.622 1.00 0.00 C ATOM 608 CG2 VAL A 42 -1.810 2.215 -13.339 1.00 0.00 C ATOM 0 H VAL A 42 -3.774 3.990 -13.052 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.585 2.868 -10.644 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.160 4.209 -12.966 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.667 2.688 -12.331 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.186 3.744 -10.981 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.335 2.043 -11.009 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.992 1.993 -14.024 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.063 1.318 -12.773 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.680 2.543 -13.908 1.00 0.00 H new ATOM 618 N GLY A 43 -1.523 4.924 -9.598 1.00 0.00 N ATOM 619 CA GLY A 43 -1.182 6.134 -8.872 1.00 0.00 C ATOM 620 C GLY A 43 -1.681 6.111 -7.441 1.00 0.00 C ATOM 621 O GLY A 43 -1.308 6.961 -6.633 1.00 0.00 O ATOM 0 H GLY A 43 -1.182 4.060 -9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.100 6.263 -8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.606 6.995 -9.388 1.00 0.00 H new ATOM 625 N TRP A 44 -2.528 5.137 -7.127 1.00 0.00 N ATOM 626 CA TRP A 44 -3.080 5.008 -5.783 1.00 0.00 C ATOM 627 C TRP A 44 -2.845 3.607 -5.230 1.00 0.00 C ATOM 628 O TRP A 44 -2.770 2.637 -5.984 1.00 0.00 O ATOM 629 CB TRP A 44 -4.577 5.322 -5.793 1.00 0.00 C ATOM 630 CG TRP A 44 -4.894 6.693 -6.309 1.00 0.00 C ATOM 631 CD1 TRP A 44 -5.297 7.021 -7.571 1.00 0.00 C ATOM 632 CD2 TRP A 44 -4.831 7.920 -5.574 1.00 0.00 C ATOM 633 NE1 TRP A 44 -5.488 8.378 -7.666 1.00 0.00 N ATOM 634 CE2 TRP A 44 -5.210 8.953 -6.454 1.00 0.00 C ATOM 635 CE3 TRP A 44 -4.493 8.248 -4.258 1.00 0.00 C ATOM 636 CZ2 TRP A 44 -5.259 10.287 -6.059 1.00 0.00 C ATOM 637 CZ3 TRP A 44 -4.542 9.572 -3.868 1.00 0.00 C ATOM 638 CH2 TRP A 44 -4.923 10.578 -4.765 1.00 0.00 C ATOM 0 H TRP A 44 -2.847 4.425 -7.784 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.570 5.723 -5.137 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.092 4.583 -6.407 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -4.968 5.223 -4.780 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.444 6.317 -8.377 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.788 8.877 -8.503 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.199 7.480 -3.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.552 11.064 -6.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.282 9.836 -2.854 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.952 11.604 -4.429 1.00 0.00 H new ATOM 649 N TRP A 45 -2.730 3.508 -3.911 1.00 0.00 N ATOM 650 CA TRP A 45 -2.504 2.224 -3.258 1.00 0.00 C ATOM 651 C TRP A 45 -2.776 2.319 -1.760 1.00 0.00 C ATOM 652 O TRP A 45 -2.677 3.395 -1.171 1.00 0.00 O ATOM 653 CB TRP A 45 -1.069 1.752 -3.498 1.00 0.00 C ATOM 654 CG TRP A 45 -0.894 1.023 -4.796 1.00 0.00 C ATOM 655 CD1 TRP A 45 -1.865 0.389 -5.518 1.00 0.00 C ATOM 656 CD2 TRP A 45 0.327 0.851 -5.524 1.00 0.00 C ATOM 657 NE1 TRP A 45 -1.321 -0.166 -6.651 1.00 0.00 N ATOM 658 CE2 TRP A 45 0.021 0.104 -6.679 1.00 0.00 C ATOM 659 CE3 TRP A 45 1.647 1.257 -5.315 1.00 0.00 C ATOM 660 CZ2 TRP A 45 0.989 -0.245 -7.617 1.00 0.00 C ATOM 661 CZ3 TRP A 45 2.607 0.910 -6.246 1.00 0.00 C ATOM 662 CH2 TRP A 45 2.274 0.166 -7.386 1.00 0.00 C ATOM 0 H TRP A 45 -2.789 4.301 -3.273 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.195 1.499 -3.689 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.403 2.614 -3.481 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.767 1.099 -2.679 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.907 0.332 -5.239 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.834 -0.694 -7.357 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.913 1.832 -4.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.735 -0.820 -8.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.631 1.217 -6.093 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.047 -0.088 -8.096 1.00 0.00 H new ATOM 673 N GLU A 46 -3.119 1.188 -1.152 1.00 0.00 N ATOM 674 CA GLU A 46 -3.406 1.146 0.277 1.00 0.00 C ATOM 675 C GLU A 46 -2.411 0.248 1.006 1.00 0.00 C ATOM 676 O GLU A 46 -2.264 -0.928 0.676 1.00 0.00 O ATOM 677 CB GLU A 46 -4.833 0.648 0.519 1.00 0.00 C ATOM 678 CG GLU A 46 -5.470 1.215 1.776 1.00 0.00 C ATOM 679 CD GLU A 46 -6.911 0.775 1.950 1.00 0.00 C ATOM 680 OE1 GLU A 46 -7.138 -0.432 2.179 1.00 0.00 O ATOM 681 OE2 GLU A 46 -7.810 1.635 1.856 1.00 0.00 O ATOM 0 H GLU A 46 -3.205 0.289 -1.626 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.311 2.158 0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.451 0.909 -0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.823 -0.440 0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.891 0.902 2.645 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.428 2.304 1.741 1.00 0.00 H new ATOM 688 N GLY A 47 -1.731 0.811 1.999 1.00 0.00 N ATOM 689 CA GLY A 47 -0.758 0.048 2.759 1.00 0.00 C ATOM 690 C GLY A 47 -0.897 0.256 4.254 1.00 0.00 C ATOM 691 O GLY A 47 -1.489 1.239 4.697 1.00 0.00 O ATOM 0 H GLY A 47 -1.836 1.783 2.291 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.873 -1.012 2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.247 0.334 2.447 1.00 0.00 H new ATOM 695 N GLU A 48 -0.352 -0.674 5.032 1.00 0.00 N ATOM 696 CA GLU A 48 -0.422 -0.588 6.486 1.00 0.00 C ATOM 697 C GLU A 48 0.948 -0.269 7.078 1.00 0.00 C ATOM 698 O GLU A 48 1.939 -0.934 6.774 1.00 0.00 O ATOM 699 CB GLU A 48 -0.950 -1.899 7.072 1.00 0.00 C ATOM 700 CG GLU A 48 -1.634 -1.733 8.418 1.00 0.00 C ATOM 701 CD GLU A 48 -1.986 -3.060 9.062 1.00 0.00 C ATOM 702 OE1 GLU A 48 -1.096 -3.671 9.689 1.00 0.00 O ATOM 703 OE2 GLU A 48 -3.153 -3.487 8.938 1.00 0.00 O ATOM 0 H GLU A 48 0.142 -1.494 4.680 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.108 0.219 6.744 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.654 -2.344 6.369 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.121 -2.599 7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.981 -1.171 9.086 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.542 -1.144 8.290 1.00 0.00 H new ATOM 710 N LEU A 49 0.996 0.753 7.925 1.00 0.00 N ATOM 711 CA LEU A 49 2.243 1.162 8.561 1.00 0.00 C ATOM 712 C LEU A 49 2.000 1.613 9.998 1.00 0.00 C ATOM 713 O LEU A 49 1.172 2.486 10.253 1.00 0.00 O ATOM 714 CB LEU A 49 2.898 2.292 7.764 1.00 0.00 C ATOM 715 CG LEU A 49 4.135 2.931 8.397 1.00 0.00 C ATOM 716 CD1 LEU A 49 5.395 2.199 7.964 1.00 0.00 C ATOM 717 CD2 LEU A 49 4.219 4.406 8.032 1.00 0.00 C ATOM 0 H LEU A 49 0.185 1.314 8.187 1.00 0.00 H new ATOM 0 HA LEU A 49 2.912 0.302 8.578 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.175 1.905 6.784 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.155 3.072 7.600 1.00 0.00 H new ATOM 0 HG LEU A 49 4.048 2.850 9.481 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.265 2.668 8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.336 1.157 8.278 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.489 2.247 6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.105 4.844 8.491 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.282 4.510 6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.330 4.922 8.394 1.00 0.00 H new ATOM 729 N ASN A 50 2.730 1.012 10.932 1.00 0.00 N ATOM 730 CA ASN A 50 2.595 1.353 12.344 1.00 0.00 C ATOM 731 C ASN A 50 1.190 1.037 12.848 1.00 0.00 C ATOM 732 O ASN A 50 0.660 1.730 13.716 1.00 0.00 O ATOM 733 CB ASN A 50 2.907 2.834 12.565 1.00 0.00 C ATOM 734 CG ASN A 50 4.397 3.116 12.575 1.00 0.00 C ATOM 735 OD1 ASN A 50 5.124 2.641 13.448 1.00 0.00 O ATOM 736 ND2 ASN A 50 4.859 3.892 11.601 1.00 0.00 N ATOM 0 H ASN A 50 3.421 0.287 10.737 1.00 0.00 H new ATOM 0 HA ASN A 50 3.308 0.751 12.907 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.434 3.423 11.780 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.473 3.157 13.511 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.853 4.116 11.556 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.220 4.264 10.898 1.00 0.00 H new ATOM 743 N GLY A 51 0.591 -0.014 12.296 1.00 0.00 N ATOM 744 CA GLY A 51 -0.746 -0.404 12.702 1.00 0.00 C ATOM 745 C GLY A 51 -1.813 0.513 12.138 1.00 0.00 C ATOM 746 O GLY A 51 -2.847 0.735 12.769 1.00 0.00 O ATOM 0 H GLY A 51 1.008 -0.602 11.575 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.939 -1.426 12.374 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.807 -0.402 13.790 1.00 0.00 H new ATOM 750 N ARG A 52 -1.562 1.049 10.948 1.00 0.00 N ATOM 751 CA ARG A 52 -2.508 1.950 10.301 1.00 0.00 C ATOM 752 C ARG A 52 -2.527 1.725 8.791 1.00 0.00 C ATOM 753 O ARG A 52 -1.504 1.864 8.120 1.00 0.00 O ATOM 754 CB ARG A 52 -2.151 3.405 10.606 1.00 0.00 C ATOM 755 CG ARG A 52 -2.174 3.740 12.088 1.00 0.00 C ATOM 756 CD ARG A 52 -1.979 5.229 12.326 1.00 0.00 C ATOM 757 NE ARG A 52 -0.648 5.678 11.925 1.00 0.00 N ATOM 758 CZ ARG A 52 -0.360 6.937 11.616 1.00 0.00 C ATOM 759 NH1 ARG A 52 -1.303 7.868 11.663 1.00 0.00 N ATOM 760 NH2 ARG A 52 0.875 7.268 11.260 1.00 0.00 N ATOM 0 H ARG A 52 -0.712 0.875 10.412 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.501 1.737 10.696 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.158 3.617 10.210 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.849 4.059 10.084 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.124 3.423 12.519 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.390 3.183 12.600 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.732 5.787 11.770 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.133 5.451 13.382 1.00 0.00 H new ATOM 0 HE ARG A 52 0.101 4.987 11.880 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.253 7.618 11.937 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.078 8.834 11.425 1.00 0.00 H new ATOM 0 HH21 ARG A 52 1.604 6.555 11.224 1.00 0.00 H new ATOM 0 HH22 ARG A 52 1.095 8.235 11.023 1.00 0.00 H new ATOM 774 N ARG A 53 -3.697 1.377 8.265 1.00 0.00 N ATOM 775 CA ARG A 53 -3.848 1.131 6.836 1.00 0.00 C ATOM 776 C ARG A 53 -4.603 2.275 6.164 1.00 0.00 C ATOM 777 O ARG A 53 -5.722 2.607 6.553 1.00 0.00 O ATOM 778 CB ARG A 53 -4.585 -0.188 6.598 1.00 0.00 C ATOM 779 CG ARG A 53 -5.860 -0.328 7.413 1.00 0.00 C ATOM 780 CD ARG A 53 -6.686 -1.521 6.955 1.00 0.00 C ATOM 781 NE ARG A 53 -8.067 -1.442 7.424 1.00 0.00 N ATOM 782 CZ ARG A 53 -9.077 -2.082 6.844 1.00 0.00 C ATOM 783 NH1 ARG A 53 -8.861 -2.843 5.780 1.00 0.00 N ATOM 784 NH2 ARG A 53 -10.306 -1.961 7.329 1.00 0.00 N ATOM 0 H ARG A 53 -4.553 1.259 8.807 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.852 1.067 6.397 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -4.829 -0.272 5.539 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.918 -1.016 6.838 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.608 -0.442 8.467 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.453 0.582 7.323 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.675 -1.573 5.866 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.230 -2.440 7.323 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.267 -0.865 8.241 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.918 -2.939 5.404 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.638 -3.333 5.337 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.476 -1.376 8.147 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.081 -2.452 6.883 1.00 0.00 H new ATOM 798 N GLY A 54 -3.980 2.876 5.154 1.00 0.00 N ATOM 799 CA GLY A 54 -4.607 3.976 4.446 1.00 0.00 C ATOM 800 C GLY A 54 -4.127 4.092 3.013 1.00 0.00 C ATOM 801 O GLY A 54 -3.129 3.478 2.633 1.00 0.00 O ATOM 0 H GLY A 54 -3.053 2.620 4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.688 3.840 4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.399 4.908 4.972 1.00 0.00 H new ATOM 805 N VAL A 55 -4.839 4.880 2.213 1.00 0.00 N ATOM 806 CA VAL A 55 -4.480 5.074 0.813 1.00 0.00 C ATOM 807 C VAL A 55 -3.332 6.067 0.673 1.00 0.00 C ATOM 808 O VAL A 55 -3.153 6.949 1.513 1.00 0.00 O ATOM 809 CB VAL A 55 -5.681 5.575 -0.010 1.00 0.00 C ATOM 810 CG1 VAL A 55 -6.824 4.572 0.048 1.00 0.00 C ATOM 811 CG2 VAL A 55 -6.133 6.940 0.485 1.00 0.00 C ATOM 0 H VAL A 55 -5.668 5.394 2.511 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.166 4.103 0.429 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.370 5.676 -1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.664 4.943 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.491 3.617 -0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.137 4.437 1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.983 7.279 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.427 6.868 1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.314 7.652 0.386 1.00 0.00 H new ATOM 821 N PHE A 56 -2.555 5.918 -0.395 1.00 0.00 N ATOM 822 CA PHE A 56 -1.423 6.802 -0.647 1.00 0.00 C ATOM 823 C PHE A 56 -1.030 6.776 -2.121 1.00 0.00 C ATOM 824 O PHE A 56 -1.253 5.797 -2.832 1.00 0.00 O ATOM 825 CB PHE A 56 -0.229 6.394 0.219 1.00 0.00 C ATOM 826 CG PHE A 56 0.289 5.017 -0.085 1.00 0.00 C ATOM 827 CD1 PHE A 56 0.872 4.736 -1.310 1.00 0.00 C ATOM 828 CD2 PHE A 56 0.191 4.003 0.855 1.00 0.00 C ATOM 829 CE1 PHE A 56 1.349 3.470 -1.592 1.00 0.00 C ATOM 830 CE2 PHE A 56 0.667 2.736 0.579 1.00 0.00 C ATOM 831 CZ PHE A 56 1.246 2.468 -0.647 1.00 0.00 C ATOM 0 H PHE A 56 -2.689 5.193 -1.100 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.721 7.818 -0.387 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.576 7.116 0.078 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.519 6.441 1.269 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.955 5.515 -2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.263 4.206 1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.802 3.264 -2.551 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.587 1.955 1.321 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.617 1.478 -0.866 1.00 0.00 H new ATOM 841 N PRO A 57 -0.430 7.880 -2.592 1.00 0.00 N ATOM 842 CA PRO A 57 0.007 8.010 -3.985 1.00 0.00 C ATOM 843 C PRO A 57 1.195 7.108 -4.306 1.00 0.00 C ATOM 844 O PRO A 57 2.319 7.372 -3.880 1.00 0.00 O ATOM 845 CB PRO A 57 0.409 9.483 -4.094 1.00 0.00 C ATOM 846 CG PRO A 57 0.767 9.882 -2.705 1.00 0.00 C ATOM 847 CD PRO A 57 -0.132 9.085 -1.800 1.00 0.00 C ATOM 0 HA PRO A 57 -0.773 7.714 -4.687 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.251 9.614 -4.773 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.410 10.089 -4.481 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.816 9.672 -2.497 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.621 10.952 -2.556 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.361 8.837 -0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.039 9.635 -1.548 1.00 0.00 H new ATOM 855 N ASP A 58 0.937 6.045 -5.060 1.00 0.00 N ATOM 856 CA ASP A 58 1.986 5.105 -5.440 1.00 0.00 C ATOM 857 C ASP A 58 3.243 5.845 -5.885 1.00 0.00 C ATOM 858 O ASP A 58 4.340 5.571 -5.401 1.00 0.00 O ATOM 859 CB ASP A 58 1.495 4.187 -6.560 1.00 0.00 C ATOM 860 CG ASP A 58 2.634 3.628 -7.391 1.00 0.00 C ATOM 861 OD1 ASP A 58 3.740 3.450 -6.838 1.00 0.00 O ATOM 862 OD2 ASP A 58 2.419 3.368 -8.593 1.00 0.00 O ATOM 0 H ASP A 58 0.011 5.813 -5.420 1.00 0.00 H new ATOM 0 HA ASP A 58 2.233 4.500 -4.567 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.926 3.364 -6.128 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.814 4.740 -7.207 1.00 0.00 H new ATOM 867 N ASN A 59 3.075 6.783 -6.812 1.00 0.00 N ATOM 868 CA ASN A 59 4.197 7.561 -7.324 1.00 0.00 C ATOM 869 C ASN A 59 5.190 7.882 -6.210 1.00 0.00 C ATOM 870 O ASN A 59 6.398 7.705 -6.370 1.00 0.00 O ATOM 871 CB ASN A 59 3.696 8.857 -7.964 1.00 0.00 C ATOM 872 CG ASN A 59 4.677 9.420 -8.975 1.00 0.00 C ATOM 873 OD1 ASN A 59 5.483 10.293 -8.654 1.00 0.00 O ATOM 874 ND2 ASN A 59 4.613 8.920 -10.203 1.00 0.00 N ATOM 0 H ASN A 59 2.173 7.022 -7.224 1.00 0.00 H new ATOM 0 HA ASN A 59 4.706 6.963 -8.080 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.740 8.671 -8.454 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.516 9.598 -7.185 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.248 9.259 -10.925 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.928 8.197 -10.424 1.00 0.00 H new ATOM 881 N PHE A 60 4.672 8.355 -5.082 1.00 0.00 N ATOM 882 CA PHE A 60 5.512 8.701 -3.941 1.00 0.00 C ATOM 883 C PHE A 60 6.328 7.497 -3.482 1.00 0.00 C ATOM 884 O PHE A 60 7.495 7.628 -3.111 1.00 0.00 O ATOM 885 CB PHE A 60 4.652 9.219 -2.786 1.00 0.00 C ATOM 886 CG PHE A 60 4.347 10.687 -2.878 1.00 0.00 C ATOM 887 CD1 PHE A 60 3.737 11.212 -4.005 1.00 0.00 C ATOM 888 CD2 PHE A 60 4.670 11.542 -1.836 1.00 0.00 C ATOM 889 CE1 PHE A 60 3.455 12.562 -4.092 1.00 0.00 C ATOM 890 CE2 PHE A 60 4.390 12.893 -1.917 1.00 0.00 C ATOM 891 CZ PHE A 60 3.781 13.404 -3.047 1.00 0.00 C ATOM 0 H PHE A 60 3.675 8.508 -4.933 1.00 0.00 H new ATOM 0 HA PHE A 60 6.200 9.487 -4.253 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.715 8.662 -2.763 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.164 9.021 -1.845 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.479 10.559 -4.825 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.146 11.148 -0.950 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.980 12.959 -4.977 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.647 13.548 -1.098 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.560 14.459 -3.113 1.00 0.00 H new ATOM 901 N VAL A 61 5.706 6.322 -3.508 1.00 0.00 N ATOM 902 CA VAL A 61 6.374 5.094 -3.096 1.00 0.00 C ATOM 903 C VAL A 61 6.798 4.266 -4.304 1.00 0.00 C ATOM 904 O VAL A 61 6.536 4.637 -5.448 1.00 0.00 O ATOM 905 CB VAL A 61 5.466 4.237 -2.194 1.00 0.00 C ATOM 906 CG1 VAL A 61 5.069 5.011 -0.946 1.00 0.00 C ATOM 907 CG2 VAL A 61 4.235 3.778 -2.960 1.00 0.00 C ATOM 0 H VAL A 61 4.740 6.195 -3.810 1.00 0.00 H new ATOM 0 HA VAL A 61 7.259 5.389 -2.533 1.00 0.00 H new ATOM 0 HB VAL A 61 6.023 3.353 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.428 4.389 -0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.964 5.285 -0.388 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.530 5.914 -1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.605 3.174 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.674 4.648 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.542 3.183 -3.820 1.00 0.00 H new ATOM 917 N LYS A 62 7.456 3.142 -4.042 1.00 0.00 N ATOM 918 CA LYS A 62 7.916 2.259 -5.107 1.00 0.00 C ATOM 919 C LYS A 62 7.839 0.798 -4.674 1.00 0.00 C ATOM 920 O LYS A 62 7.841 0.493 -3.480 1.00 0.00 O ATOM 921 CB LYS A 62 9.352 2.609 -5.504 1.00 0.00 C ATOM 922 CG LYS A 62 9.449 3.785 -6.460 1.00 0.00 C ATOM 923 CD LYS A 62 9.212 3.356 -7.898 1.00 0.00 C ATOM 924 CE LYS A 62 9.876 4.308 -8.881 1.00 0.00 C ATOM 925 NZ LYS A 62 9.274 5.669 -8.828 1.00 0.00 N ATOM 0 H LYS A 62 7.683 2.821 -3.101 1.00 0.00 H new ATOM 0 HA LYS A 62 7.263 2.400 -5.968 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.924 2.835 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.815 1.737 -5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.718 4.543 -6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.434 4.245 -6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.601 2.349 -8.047 1.00 0.00 H new ATOM 0 HD3 LYS A 62 8.141 3.317 -8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.941 4.373 -8.660 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.784 3.909 -9.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.754 6.288 -9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.263 5.611 -9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.384 6.060 -7.871 1.00 0.00 H new ATOM 939 N LEU A 63 7.773 -0.101 -5.650 1.00 0.00 N ATOM 940 CA LEU A 63 7.697 -1.531 -5.369 1.00 0.00 C ATOM 941 C LEU A 63 9.092 -2.140 -5.267 1.00 0.00 C ATOM 942 O LEU A 63 9.954 -1.888 -6.110 1.00 0.00 O ATOM 943 CB LEU A 63 6.895 -2.243 -6.460 1.00 0.00 C ATOM 944 CG LEU A 63 5.392 -2.372 -6.211 1.00 0.00 C ATOM 945 CD1 LEU A 63 5.116 -3.418 -5.142 1.00 0.00 C ATOM 946 CD2 LEU A 63 4.800 -1.029 -5.811 1.00 0.00 C ATOM 0 H LEU A 63 7.771 0.135 -6.642 1.00 0.00 H new ATOM 0 HA LEU A 63 7.192 -1.663 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.043 -1.709 -7.399 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.308 -3.243 -6.593 1.00 0.00 H new ATOM 0 HG LEU A 63 4.916 -2.694 -7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.041 -3.496 -4.978 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.504 -4.383 -5.468 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.604 -3.126 -4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.730 -1.140 -5.638 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.281 -0.677 -4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.965 -0.306 -6.610 1.00 0.00 H new ATOM 958 N LEU A 64 9.306 -2.945 -4.233 1.00 0.00 N ATOM 959 CA LEU A 64 10.595 -3.593 -4.022 1.00 0.00 C ATOM 960 C LEU A 64 10.614 -4.985 -4.646 1.00 0.00 C ATOM 961 O LEU A 64 11.463 -5.813 -4.316 1.00 0.00 O ATOM 962 CB LEU A 64 10.902 -3.689 -2.526 1.00 0.00 C ATOM 963 CG LEU A 64 10.873 -2.372 -1.750 1.00 0.00 C ATOM 964 CD1 LEU A 64 10.895 -2.634 -0.252 1.00 0.00 C ATOM 965 CD2 LEU A 64 12.044 -1.488 -2.155 1.00 0.00 C ATOM 0 H LEU A 64 8.603 -3.165 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 64 11.361 -2.987 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.184 -4.372 -2.071 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.888 -4.137 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 64 9.948 -1.850 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.874 -1.685 0.284 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.024 -3.227 0.026 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.803 -3.178 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.007 -0.555 -1.593 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.980 -2.004 -1.941 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.984 -1.271 -3.222 1.00 0.00 H new ATOM 977 N SER A 65 9.673 -5.234 -5.551 1.00 0.00 N ATOM 978 CA SER A 65 9.580 -6.526 -6.221 1.00 0.00 C ATOM 979 C SER A 65 10.286 -6.490 -7.572 1.00 0.00 C ATOM 980 O SER A 65 11.194 -7.278 -7.833 1.00 0.00 O ATOM 981 CB SER A 65 8.114 -6.923 -6.409 1.00 0.00 C ATOM 982 OG SER A 65 8.002 -8.126 -7.149 1.00 0.00 O ATOM 0 H SER A 65 8.964 -4.558 -5.837 1.00 0.00 H new ATOM 0 HA SER A 65 10.073 -7.269 -5.593 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.640 -7.046 -5.435 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.581 -6.124 -6.925 1.00 0.00 H new ATOM 0 HG SER A 65 7.056 -8.359 -7.254 1.00 0.00 H new ATOM 988 N GLY A 66 9.862 -5.567 -8.430 1.00 0.00 N ATOM 989 CA GLY A 66 10.464 -5.443 -9.745 1.00 0.00 C ATOM 990 C GLY A 66 10.129 -6.614 -10.648 1.00 0.00 C ATOM 991 O GLY A 66 10.888 -7.577 -10.759 1.00 0.00 O ATOM 0 H GLY A 66 9.112 -4.903 -8.238 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.123 -4.519 -10.212 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.546 -5.367 -9.640 1.00 0.00 H new ATOM 995 N PRO A 67 8.966 -6.540 -11.313 1.00 0.00 N ATOM 996 CA PRO A 67 8.505 -7.594 -12.221 1.00 0.00 C ATOM 997 C PRO A 67 9.341 -7.667 -13.495 1.00 0.00 C ATOM 998 O PRO A 67 10.026 -6.710 -13.855 1.00 0.00 O ATOM 999 CB PRO A 67 7.069 -7.178 -12.548 1.00 0.00 C ATOM 1000 CG PRO A 67 7.047 -5.701 -12.347 1.00 0.00 C ATOM 1001 CD PRO A 67 8.012 -5.421 -11.228 1.00 0.00 C ATOM 0 HA PRO A 67 8.584 -8.583 -11.771 1.00 0.00 H new ATOM 0 HB2 PRO A 67 6.804 -7.442 -13.572 1.00 0.00 H new ATOM 0 HB3 PRO A 67 6.354 -7.677 -11.894 1.00 0.00 H new ATOM 0 HG2 PRO A 67 7.343 -5.179 -13.257 1.00 0.00 H new ATOM 0 HG3 PRO A 67 6.044 -5.357 -12.093 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.508 -4.459 -11.356 1.00 0.00 H new ATOM 0 HD3 PRO A 67 7.509 -5.394 -10.261 1.00 0.00 H new ATOM 1009 N SER A 68 9.279 -8.809 -14.173 1.00 0.00 N ATOM 1010 CA SER A 68 10.033 -9.008 -15.405 1.00 0.00 C ATOM 1011 C SER A 68 9.221 -8.559 -16.617 1.00 0.00 C ATOM 1012 O SER A 68 7.993 -8.639 -16.620 1.00 0.00 O ATOM 1013 CB SER A 68 10.424 -10.479 -15.556 1.00 0.00 C ATOM 1014 OG SER A 68 11.112 -10.701 -16.775 1.00 0.00 O ATOM 0 H SER A 68 8.715 -9.610 -13.890 1.00 0.00 H new ATOM 0 HA SER A 68 10.938 -8.402 -15.351 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.055 -10.779 -14.719 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.530 -11.102 -15.521 1.00 0.00 H new ATOM 0 HG SER A 68 11.353 -11.648 -16.847 1.00 0.00 H new ATOM 1020 N SER A 69 9.918 -8.086 -17.645 1.00 0.00 N ATOM 1021 CA SER A 69 9.264 -7.621 -18.862 1.00 0.00 C ATOM 1022 C SER A 69 9.063 -8.770 -19.845 1.00 0.00 C ATOM 1023 O SER A 69 9.832 -9.730 -19.861 1.00 0.00 O ATOM 1024 CB SER A 69 10.090 -6.512 -19.518 1.00 0.00 C ATOM 1025 OG SER A 69 9.372 -5.900 -20.576 1.00 0.00 O ATOM 0 H SER A 69 10.935 -8.015 -17.659 1.00 0.00 H new ATOM 0 HA SER A 69 8.286 -7.224 -18.590 1.00 0.00 H new ATOM 0 HB2 SER A 69 10.355 -5.762 -18.773 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.023 -6.926 -19.899 1.00 0.00 H new ATOM 0 HG SER A 69 9.920 -5.194 -20.978 1.00 0.00 H new ATOM 1031 N GLY A 70 8.021 -8.665 -20.664 1.00 0.00 N ATOM 1032 CA GLY A 70 7.736 -9.701 -21.639 1.00 0.00 C ATOM 1033 C GLY A 70 6.284 -10.137 -21.615 1.00 0.00 C ATOM 1034 O GLY A 70 5.809 -10.788 -22.545 1.00 0.00 O ATOM 0 H GLY A 70 7.369 -7.881 -20.669 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.986 -9.337 -22.635 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.374 -10.563 -21.445 1.00 0.00 H new TER 1038 GLY A 70