USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=15 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 24:sc= 0.185 USER MOD Single : A 5 SER OG : rot 180:sc=-0.000653 USER MOD Single : A 6 SER OG : rot 180:sc= -0.156 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= -0.119 USER MOD Single : A 11 LYS NZ :NH3+ -157:sc=-0.00948 (180deg=-0.366) USER MOD Single : A 16 TYR OH : rot -164:sc= 1.23 USER MOD Single : A 19 GLN : amide:sc= -0.836 X(o=-0.84,f=-0.65) USER MOD Single : A 20 ASN : amide:sc= -1.29 K(o=-1.3,f=-8.4!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= -0.0478 (180deg=-0.702) USER MOD Single : A 33 THR OG1 : rot -76:sc= 0.292 USER MOD Single : A 36 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.8!) 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= -0.0976 X(o=-0.098,f=-0.19) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.035) 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 1.054 -17.548 10.318 1.00 0.00 N ATOM 2 CA GLY A 1 1.144 -16.734 9.120 1.00 0.00 C ATOM 3 C GLY A 1 1.558 -15.307 9.419 1.00 0.00 C ATOM 4 O GLY A 1 0.712 -14.422 9.548 1.00 0.00 O ATOM 0 H1 GLY A 1 0.768 -18.514 10.061 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.981 -17.575 10.790 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.349 -17.139 10.964 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.863 -17.181 8.434 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.179 -16.731 8.613 1.00 0.00 H new ATOM 8 N SER A 2 2.863 -15.082 9.532 1.00 0.00 N ATOM 9 CA SER A 2 3.387 -13.752 9.823 1.00 0.00 C ATOM 10 C SER A 2 3.609 -12.962 8.537 1.00 0.00 C ATOM 11 O SER A 2 3.155 -11.825 8.409 1.00 0.00 O ATOM 12 CB SER A 2 4.699 -13.858 10.603 1.00 0.00 C ATOM 13 OG SER A 2 4.894 -12.724 11.431 1.00 0.00 O ATOM 0 H SER A 2 3.577 -15.803 9.427 1.00 0.00 H new ATOM 0 HA SER A 2 2.652 -13.224 10.431 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.691 -14.761 11.214 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.533 -13.952 9.907 1.00 0.00 H new ATOM 0 HG SER A 2 5.738 -12.817 11.920 1.00 0.00 H new ATOM 19 N SER A 3 4.310 -13.573 7.588 1.00 0.00 N ATOM 20 CA SER A 3 4.597 -12.926 6.313 1.00 0.00 C ATOM 21 C SER A 3 3.454 -13.142 5.325 1.00 0.00 C ATOM 22 O SER A 3 3.028 -14.272 5.089 1.00 0.00 O ATOM 23 CB SER A 3 5.902 -13.465 5.725 1.00 0.00 C ATOM 24 OG SER A 3 5.818 -14.859 5.488 1.00 0.00 O ATOM 0 H SER A 3 4.690 -14.515 7.678 1.00 0.00 H new ATOM 0 HA SER A 3 4.703 -11.856 6.493 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.125 -12.947 4.792 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.725 -13.258 6.409 1.00 0.00 H new ATOM 0 HG SER A 3 4.878 -15.117 5.382 1.00 0.00 H new ATOM 30 N GLY A 4 2.961 -12.049 4.751 1.00 0.00 N ATOM 31 CA GLY A 4 1.872 -12.139 3.796 1.00 0.00 C ATOM 32 C GLY A 4 2.361 -12.179 2.362 1.00 0.00 C ATOM 33 O GLY A 4 2.770 -11.158 1.810 1.00 0.00 O ATOM 0 H GLY A 4 3.296 -11.103 4.930 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.285 -13.034 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.207 -11.285 3.926 1.00 0.00 H new ATOM 37 N SER A 5 2.320 -13.362 1.757 1.00 0.00 N ATOM 38 CA SER A 5 2.767 -13.532 0.380 1.00 0.00 C ATOM 39 C SER A 5 2.160 -12.464 -0.525 1.00 0.00 C ATOM 40 O SER A 5 2.851 -11.867 -1.349 1.00 0.00 O ATOM 41 CB SER A 5 2.392 -14.924 -0.132 1.00 0.00 C ATOM 42 OG SER A 5 0.997 -15.147 -0.028 1.00 0.00 O ATOM 0 H SER A 5 1.982 -14.217 2.199 1.00 0.00 H new ATOM 0 HA SER A 5 3.852 -13.425 0.361 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.704 -15.029 -1.171 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.928 -15.682 0.439 1.00 0.00 H new ATOM 0 HG SER A 5 0.783 -16.043 -0.363 1.00 0.00 H new ATOM 48 N SER A 6 0.861 -12.230 -0.364 1.00 0.00 N ATOM 49 CA SER A 6 0.158 -11.238 -1.168 1.00 0.00 C ATOM 50 C SER A 6 0.721 -9.841 -0.922 1.00 0.00 C ATOM 51 O SER A 6 1.127 -9.150 -1.855 1.00 0.00 O ATOM 52 CB SER A 6 -1.339 -11.260 -0.849 1.00 0.00 C ATOM 53 OG SER A 6 -1.570 -11.024 0.529 1.00 0.00 O ATOM 0 H SER A 6 0.275 -12.714 0.316 1.00 0.00 H new ATOM 0 HA SER A 6 0.303 -11.489 -2.219 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.852 -10.502 -1.442 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.760 -12.225 -1.132 1.00 0.00 H new ATOM 0 HG SER A 6 -2.534 -11.041 0.707 1.00 0.00 H new ATOM 59 N GLY A 7 0.741 -9.433 0.344 1.00 0.00 N ATOM 60 CA GLY A 7 1.256 -8.121 0.691 1.00 0.00 C ATOM 61 C GLY A 7 2.690 -7.923 0.242 1.00 0.00 C ATOM 62 O GLY A 7 3.577 -8.691 0.616 1.00 0.00 O ATOM 0 H GLY A 7 0.410 -9.987 1.134 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.627 -7.356 0.236 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.194 -7.984 1.771 1.00 0.00 H new ATOM 66 N ASP A 8 2.919 -6.892 -0.564 1.00 0.00 N ATOM 67 CA ASP A 8 4.255 -6.596 -1.066 1.00 0.00 C ATOM 68 C ASP A 8 4.885 -5.445 -0.288 1.00 0.00 C ATOM 69 O ASP A 8 4.190 -4.536 0.167 1.00 0.00 O ATOM 70 CB ASP A 8 4.199 -6.250 -2.555 1.00 0.00 C ATOM 71 CG ASP A 8 5.460 -6.659 -3.292 1.00 0.00 C ATOM 72 OD1 ASP A 8 6.220 -7.489 -2.752 1.00 0.00 O ATOM 73 OD2 ASP A 8 5.686 -6.147 -4.409 1.00 0.00 O ATOM 0 H ASP A 8 2.196 -6.247 -0.884 1.00 0.00 H new ATOM 0 HA ASP A 8 4.872 -7.484 -0.930 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.340 -6.745 -3.008 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.046 -5.177 -2.670 1.00 0.00 H new ATOM 78 N TYR A 9 6.204 -5.491 -0.138 1.00 0.00 N ATOM 79 CA TYR A 9 6.928 -4.455 0.589 1.00 0.00 C ATOM 80 C TYR A 9 7.322 -3.312 -0.342 1.00 0.00 C ATOM 81 O TYR A 9 7.969 -3.526 -1.367 1.00 0.00 O ATOM 82 CB TYR A 9 8.176 -5.042 1.250 1.00 0.00 C ATOM 83 CG TYR A 9 7.936 -5.545 2.656 1.00 0.00 C ATOM 84 CD1 TYR A 9 6.846 -6.355 2.949 1.00 0.00 C ATOM 85 CD2 TYR A 9 8.801 -5.211 3.690 1.00 0.00 C ATOM 86 CE1 TYR A 9 6.623 -6.815 4.232 1.00 0.00 C ATOM 87 CE2 TYR A 9 8.587 -5.669 4.976 1.00 0.00 C ATOM 88 CZ TYR A 9 7.496 -6.470 5.242 1.00 0.00 C ATOM 89 OH TYR A 9 7.278 -6.928 6.521 1.00 0.00 O ATOM 0 H TYR A 9 6.794 -6.235 -0.510 1.00 0.00 H new ATOM 0 HA TYR A 9 6.268 -4.061 1.362 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.549 -5.863 0.638 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.957 -4.282 1.273 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.161 -6.630 2.160 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.655 -4.583 3.485 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.769 -7.442 4.443 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.270 -5.401 5.768 1.00 0.00 H new ATOM 0 HH TYR A 9 7.985 -6.595 7.113 1.00 0.00 H new ATOM 99 N CYS A 10 6.928 -2.097 0.024 1.00 0.00 N ATOM 100 CA CYS A 10 7.239 -0.918 -0.777 1.00 0.00 C ATOM 101 C CYS A 10 8.036 0.096 0.036 1.00 0.00 C ATOM 102 O CYS A 10 7.626 0.494 1.127 1.00 0.00 O ATOM 103 CB CYS A 10 5.952 -0.276 -1.297 1.00 0.00 C ATOM 104 SG CYS A 10 4.891 -1.401 -2.232 1.00 0.00 S ATOM 0 H CYS A 10 6.393 -1.903 0.870 1.00 0.00 H new ATOM 0 HA CYS A 10 7.847 -1.234 -1.625 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.389 0.119 -0.452 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.212 0.572 -1.931 1.00 0.00 H new ATOM 0 HG CYS A 10 3.827 -0.767 -2.627 1.00 0.00 H new ATOM 110 N LYS A 11 9.178 0.511 -0.501 1.00 0.00 N ATOM 111 CA LYS A 11 10.035 1.479 0.174 1.00 0.00 C ATOM 112 C LYS A 11 9.569 2.905 -0.104 1.00 0.00 C ATOM 113 O LYS A 11 9.365 3.288 -1.256 1.00 0.00 O ATOM 114 CB LYS A 11 11.487 1.309 -0.278 1.00 0.00 C ATOM 115 CG LYS A 11 12.412 2.403 0.223 1.00 0.00 C ATOM 116 CD LYS A 11 13.872 2.002 0.094 1.00 0.00 C ATOM 117 CE LYS A 11 14.783 2.964 0.841 1.00 0.00 C ATOM 118 NZ LYS A 11 14.951 4.250 0.110 1.00 0.00 N ATOM 0 H LYS A 11 9.532 0.192 -1.403 1.00 0.00 H new ATOM 0 HA LYS A 11 9.971 1.297 1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.857 0.345 0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.519 1.288 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.234 3.318 -0.342 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.185 2.623 1.266 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.009 0.993 0.483 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.152 1.978 -0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.370 3.160 1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 11 15.758 2.500 0.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.835 4.707 0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.987 4.066 -0.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 14.148 4.876 0.321 1.00 0.00 H new ATOM 132 N VAL A 12 9.402 3.686 0.958 1.00 0.00 N ATOM 133 CA VAL A 12 8.963 5.070 0.828 1.00 0.00 C ATOM 134 C VAL A 12 10.148 6.006 0.618 1.00 0.00 C ATOM 135 O VAL A 12 10.922 6.260 1.542 1.00 0.00 O ATOM 136 CB VAL A 12 8.175 5.528 2.070 1.00 0.00 C ATOM 137 CG1 VAL A 12 7.817 7.002 1.961 1.00 0.00 C ATOM 138 CG2 VAL A 12 6.926 4.679 2.250 1.00 0.00 C ATOM 0 H VAL A 12 9.564 3.384 1.919 1.00 0.00 H new ATOM 0 HA VAL A 12 8.311 5.114 -0.044 1.00 0.00 H new ATOM 0 HB VAL A 12 8.806 5.396 2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.261 7.308 2.847 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.729 7.593 1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.204 7.163 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.381 5.016 3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.289 4.777 1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.211 3.635 2.377 1.00 0.00 H new ATOM 148 N ILE A 13 10.284 6.515 -0.602 1.00 0.00 N ATOM 149 CA ILE A 13 11.375 7.424 -0.932 1.00 0.00 C ATOM 150 C ILE A 13 10.904 8.874 -0.921 1.00 0.00 C ATOM 151 O ILE A 13 11.665 9.783 -0.589 1.00 0.00 O ATOM 152 CB ILE A 13 11.978 7.102 -2.312 1.00 0.00 C ATOM 153 CG1 ILE A 13 10.885 7.101 -3.383 1.00 0.00 C ATOM 154 CG2 ILE A 13 12.693 5.759 -2.277 1.00 0.00 C ATOM 155 CD1 ILE A 13 10.130 5.794 -3.475 1.00 0.00 C ATOM 0 H ILE A 13 9.653 6.314 -1.378 1.00 0.00 H new ATOM 0 HA ILE A 13 12.142 7.288 -0.169 1.00 0.00 H new ATOM 0 HB ILE A 13 12.706 7.874 -2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.180 7.905 -3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.336 7.320 -4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 13 13.114 5.545 -3.259 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.494 5.792 -1.538 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.984 4.976 -2.008 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.371 5.866 -4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.824 4.989 -3.717 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.650 5.583 -2.520 1.00 0.00 H new ATOM 167 N PHE A 14 9.643 9.084 -1.286 1.00 0.00 N ATOM 168 CA PHE A 14 9.069 10.424 -1.318 1.00 0.00 C ATOM 169 C PHE A 14 8.155 10.652 -0.118 1.00 0.00 C ATOM 170 O PHE A 14 7.213 9.899 0.129 1.00 0.00 O ATOM 171 CB PHE A 14 8.289 10.637 -2.617 1.00 0.00 C ATOM 172 CG PHE A 14 9.165 10.919 -3.803 1.00 0.00 C ATOM 173 CD1 PHE A 14 9.655 12.194 -4.032 1.00 0.00 C ATOM 174 CD2 PHE A 14 9.499 9.908 -4.690 1.00 0.00 C ATOM 175 CE1 PHE A 14 10.462 12.457 -5.123 1.00 0.00 C ATOM 176 CE2 PHE A 14 10.306 10.164 -5.782 1.00 0.00 C ATOM 177 CZ PHE A 14 10.787 11.441 -6.000 1.00 0.00 C ATOM 0 H PHE A 14 8.999 8.343 -1.564 1.00 0.00 H new ATOM 0 HA PHE A 14 9.886 11.144 -1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 14 7.690 9.750 -2.821 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.595 11.467 -2.483 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.403 12.993 -3.350 1.00 0.00 H new ATOM 0 HD2 PHE A 14 9.124 8.909 -4.526 1.00 0.00 H new ATOM 0 HE1 PHE A 14 10.838 13.456 -5.289 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.561 9.367 -6.465 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.416 11.644 -6.854 1.00 0.00 H new ATOM 187 N PRO A 15 8.437 11.718 0.646 1.00 0.00 N ATOM 188 CA PRO A 15 7.652 12.071 1.833 1.00 0.00 C ATOM 189 C PRO A 15 6.257 12.574 1.477 1.00 0.00 C ATOM 190 O PRO A 15 6.103 13.473 0.650 1.00 0.00 O ATOM 191 CB PRO A 15 8.474 13.188 2.481 1.00 0.00 C ATOM 192 CG PRO A 15 9.250 13.788 1.360 1.00 0.00 C ATOM 193 CD PRO A 15 9.544 12.660 0.411 1.00 0.00 C ATOM 0 HA PRO A 15 7.487 11.212 2.483 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.830 13.928 2.957 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.135 12.796 3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.679 14.574 0.867 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.172 14.243 1.723 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.568 13.002 -0.624 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.511 12.203 0.618 1.00 0.00 H new ATOM 201 N TYR A 16 5.244 11.988 2.105 1.00 0.00 N ATOM 202 CA TYR A 16 3.861 12.376 1.853 1.00 0.00 C ATOM 203 C TYR A 16 3.122 12.639 3.161 1.00 0.00 C ATOM 204 O TYR A 16 3.471 12.090 4.205 1.00 0.00 O ATOM 205 CB TYR A 16 3.141 11.285 1.058 1.00 0.00 C ATOM 206 CG TYR A 16 1.744 11.672 0.628 1.00 0.00 C ATOM 207 CD1 TYR A 16 1.538 12.499 -0.470 1.00 0.00 C ATOM 208 CD2 TYR A 16 0.631 11.212 1.319 1.00 0.00 C ATOM 209 CE1 TYR A 16 0.264 12.856 -0.866 1.00 0.00 C ATOM 210 CE2 TYR A 16 -0.647 11.562 0.929 1.00 0.00 C ATOM 211 CZ TYR A 16 -0.826 12.384 -0.164 1.00 0.00 C ATOM 212 OH TYR A 16 -2.097 12.737 -0.555 1.00 0.00 O ATOM 0 H TYR A 16 5.354 11.242 2.792 1.00 0.00 H new ATOM 0 HA TYR A 16 3.869 13.297 1.270 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.730 11.043 0.174 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.088 10.380 1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 16 2.389 12.869 -1.023 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.767 10.569 2.176 1.00 0.00 H new ATOM 0 HE1 TYR A 16 0.122 13.501 -1.720 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.502 11.194 1.477 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.728 12.541 0.169 1.00 0.00 H new ATOM 222 N GLU A 17 2.098 13.484 3.094 1.00 0.00 N ATOM 223 CA GLU A 17 1.308 13.821 4.273 1.00 0.00 C ATOM 224 C GLU A 17 -0.163 13.478 4.059 1.00 0.00 C ATOM 225 O GLU A 17 -0.830 14.064 3.207 1.00 0.00 O ATOM 226 CB GLU A 17 1.454 15.308 4.604 1.00 0.00 C ATOM 227 CG GLU A 17 0.599 15.757 5.777 1.00 0.00 C ATOM 228 CD GLU A 17 0.440 17.264 5.839 1.00 0.00 C ATOM 229 OE1 GLU A 17 1.438 17.976 5.605 1.00 0.00 O ATOM 230 OE2 GLU A 17 -0.683 17.730 6.123 1.00 0.00 O ATOM 0 H GLU A 17 1.796 13.947 2.237 1.00 0.00 H new ATOM 0 HA GLU A 17 1.682 13.231 5.110 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.500 15.521 4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.187 15.895 3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.385 15.294 5.703 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.048 15.404 6.705 1.00 0.00 H new ATOM 237 N ALA A 18 -0.662 12.525 4.839 1.00 0.00 N ATOM 238 CA ALA A 18 -2.054 12.105 4.736 1.00 0.00 C ATOM 239 C ALA A 18 -3.000 13.285 4.931 1.00 0.00 C ATOM 240 O ALA A 18 -2.790 14.120 5.811 1.00 0.00 O ATOM 241 CB ALA A 18 -2.352 11.013 5.753 1.00 0.00 C ATOM 0 H ALA A 18 -0.123 12.029 5.549 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.214 11.707 3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.395 10.709 5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.707 10.155 5.565 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.168 11.392 6.758 1.00 0.00 H new ATOM 247 N GLN A 19 -4.040 13.347 4.106 1.00 0.00 N ATOM 248 CA GLN A 19 -5.016 14.427 4.188 1.00 0.00 C ATOM 249 C GLN A 19 -5.994 14.190 5.334 1.00 0.00 C ATOM 250 O GLN A 19 -6.291 15.100 6.108 1.00 0.00 O ATOM 251 CB GLN A 19 -5.779 14.554 2.869 1.00 0.00 C ATOM 252 CG GLN A 19 -6.942 15.532 2.930 1.00 0.00 C ATOM 253 CD GLN A 19 -6.601 16.797 3.693 1.00 0.00 C ATOM 254 OE1 GLN A 19 -5.597 17.453 3.413 1.00 0.00 O ATOM 255 NE2 GLN A 19 -7.436 17.147 4.664 1.00 0.00 N ATOM 0 H GLN A 19 -4.228 12.663 3.374 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.478 15.356 4.379 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -5.088 14.872 2.088 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -6.155 13.572 2.581 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.245 15.794 1.916 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.796 15.046 3.402 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -8.256 16.574 4.862 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -7.257 17.989 5.212 1.00 0.00 H new ATOM 264 N ASN A 20 -6.492 12.962 5.437 1.00 0.00 N ATOM 265 CA ASN A 20 -7.438 12.606 6.488 1.00 0.00 C ATOM 266 C ASN A 20 -7.215 11.172 6.958 1.00 0.00 C ATOM 267 O ASN A 20 -6.387 10.448 6.404 1.00 0.00 O ATOM 268 CB ASN A 20 -8.874 12.773 5.989 1.00 0.00 C ATOM 269 CG ASN A 20 -9.317 11.623 5.106 1.00 0.00 C ATOM 270 OD1 ASN A 20 -10.008 10.709 5.557 1.00 0.00 O ATOM 271 ND2 ASN A 20 -8.919 11.662 3.839 1.00 0.00 N ATOM 0 H ASN A 20 -6.256 12.197 4.805 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.274 13.276 7.332 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -9.546 12.851 6.844 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.956 13.707 5.433 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.185 10.915 3.198 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.347 12.439 3.508 1.00 0.00 H new ATOM 278 N ASP A 21 -7.958 10.768 7.982 1.00 0.00 N ATOM 279 CA ASP A 21 -7.843 9.420 8.525 1.00 0.00 C ATOM 280 C ASP A 21 -7.689 8.394 7.407 1.00 0.00 C ATOM 281 O ASP A 21 -6.943 7.424 7.539 1.00 0.00 O ATOM 282 CB ASP A 21 -9.069 9.084 9.377 1.00 0.00 C ATOM 283 CG ASP A 21 -8.814 7.932 10.329 1.00 0.00 C ATOM 284 OD1 ASP A 21 -7.914 7.115 10.043 1.00 0.00 O ATOM 285 OD2 ASP A 21 -9.516 7.846 11.358 1.00 0.00 O ATOM 0 H ASP A 21 -8.647 11.355 8.453 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.952 9.383 9.152 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.364 9.965 9.948 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.904 8.833 8.723 1.00 0.00 H new ATOM 290 N ASP A 22 -8.400 8.615 6.307 1.00 0.00 N ATOM 291 CA ASP A 22 -8.343 7.710 5.164 1.00 0.00 C ATOM 292 C ASP A 22 -6.932 7.652 4.588 1.00 0.00 C ATOM 293 O ASP A 22 -6.410 6.573 4.308 1.00 0.00 O ATOM 294 CB ASP A 22 -9.331 8.154 4.085 1.00 0.00 C ATOM 295 CG ASP A 22 -10.731 7.626 4.328 1.00 0.00 C ATOM 296 OD1 ASP A 22 -11.506 8.303 5.035 1.00 0.00 O ATOM 297 OD2 ASP A 22 -11.051 6.536 3.811 1.00 0.00 O ATOM 0 H ASP A 22 -9.023 9.413 6.182 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.617 6.712 5.507 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.358 9.243 4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.980 7.810 3.112 1.00 0.00 H new ATOM 302 N GLU A 23 -6.321 8.819 4.412 1.00 0.00 N ATOM 303 CA GLU A 23 -4.971 8.900 3.866 1.00 0.00 C ATOM 304 C GLU A 23 -3.939 8.464 4.902 1.00 0.00 C ATOM 305 O GLU A 23 -4.093 8.724 6.097 1.00 0.00 O ATOM 306 CB GLU A 23 -4.670 10.326 3.399 1.00 0.00 C ATOM 307 CG GLU A 23 -5.584 10.806 2.285 1.00 0.00 C ATOM 308 CD GLU A 23 -4.965 11.918 1.460 1.00 0.00 C ATOM 309 OE1 GLU A 23 -3.739 12.129 1.575 1.00 0.00 O ATOM 310 OE2 GLU A 23 -5.706 12.575 0.700 1.00 0.00 O ATOM 0 H GLU A 23 -6.739 9.721 4.639 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.911 8.226 3.012 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.759 11.004 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.636 10.377 3.057 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.827 9.967 1.633 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.522 11.157 2.716 1.00 0.00 H new ATOM 317 N LEU A 24 -2.886 7.800 4.437 1.00 0.00 N ATOM 318 CA LEU A 24 -1.828 7.327 5.322 1.00 0.00 C ATOM 319 C LEU A 24 -0.585 8.204 5.202 1.00 0.00 C ATOM 320 O LEU A 24 -0.317 8.779 4.147 1.00 0.00 O ATOM 321 CB LEU A 24 -1.474 5.875 4.997 1.00 0.00 C ATOM 322 CG LEU A 24 -0.214 5.325 5.664 1.00 0.00 C ATOM 323 CD1 LEU A 24 -0.542 4.750 7.034 1.00 0.00 C ATOM 324 CD2 LEU A 24 0.439 4.270 4.784 1.00 0.00 C ATOM 0 H LEU A 24 -2.743 7.577 3.452 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.194 7.384 6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.316 5.244 5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.358 5.783 3.917 1.00 0.00 H new ATOM 0 HG LEU A 24 0.491 6.146 5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.368 4.363 7.494 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.963 5.532 7.666 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.266 3.942 6.926 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.335 3.890 5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.260 3.450 4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.711 4.713 3.826 1.00 0.00 H new ATOM 336 N THR A 25 0.172 8.301 6.291 1.00 0.00 N ATOM 337 CA THR A 25 1.386 9.106 6.308 1.00 0.00 C ATOM 338 C THR A 25 2.621 8.243 6.078 1.00 0.00 C ATOM 339 O THR A 25 2.748 7.160 6.649 1.00 0.00 O ATOM 340 CB THR A 25 1.542 9.860 7.642 1.00 0.00 C ATOM 341 OG1 THR A 25 0.417 10.720 7.853 1.00 0.00 O ATOM 342 CG2 THR A 25 2.823 10.681 7.654 1.00 0.00 C ATOM 0 H THR A 25 -0.035 7.832 7.173 1.00 0.00 H new ATOM 0 HA THR A 25 1.296 9.830 5.498 1.00 0.00 H new ATOM 0 HB THR A 25 1.593 9.125 8.445 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.523 11.194 8.704 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.911 11.204 8.606 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.680 10.020 7.523 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.797 11.407 6.842 1.00 0.00 H new ATOM 350 N ILE A 26 3.530 8.730 5.238 1.00 0.00 N ATOM 351 CA ILE A 26 4.756 8.003 4.935 1.00 0.00 C ATOM 352 C ILE A 26 5.936 8.955 4.781 1.00 0.00 C ATOM 353 O ILE A 26 5.836 9.983 4.110 1.00 0.00 O ATOM 354 CB ILE A 26 4.612 7.169 3.648 1.00 0.00 C ATOM 355 CG1 ILE A 26 4.331 8.082 2.452 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.505 6.137 3.805 1.00 0.00 C ATOM 357 CD1 ILE A 26 4.119 7.332 1.156 1.00 0.00 C ATOM 0 H ILE A 26 3.440 9.624 4.756 1.00 0.00 H new ATOM 0 HA ILE A 26 4.941 7.332 5.774 1.00 0.00 H new ATOM 0 HB ILE A 26 5.549 6.642 3.468 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.446 8.683 2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.164 8.774 2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.416 5.556 2.887 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.743 5.471 4.634 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.561 6.644 4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.925 8.042 0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.012 6.753 0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.267 6.660 1.260 1.00 0.00 H new ATOM 369 N LYS A 27 7.056 8.607 5.407 1.00 0.00 N ATOM 370 CA LYS A 27 8.258 9.429 5.339 1.00 0.00 C ATOM 371 C LYS A 27 9.391 8.679 4.644 1.00 0.00 C ATOM 372 O LYS A 27 9.436 7.450 4.664 1.00 0.00 O ATOM 373 CB LYS A 27 8.696 9.847 6.744 1.00 0.00 C ATOM 374 CG LYS A 27 7.609 10.557 7.533 1.00 0.00 C ATOM 375 CD LYS A 27 6.669 9.568 8.202 1.00 0.00 C ATOM 376 CE LYS A 27 7.128 9.228 9.612 1.00 0.00 C ATOM 377 NZ LYS A 27 8.095 8.096 9.622 1.00 0.00 N ATOM 0 H LYS A 27 7.156 7.761 5.967 1.00 0.00 H new ATOM 0 HA LYS A 27 8.025 10.321 4.758 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.014 8.962 7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.563 10.502 6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.065 11.195 8.290 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.041 11.207 6.868 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.663 9.987 8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.614 8.657 7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.591 10.105 10.065 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.263 8.972 10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.101 7.653 10.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.813 7.393 8.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.047 8.451 9.400 1.00 0.00 H new ATOM 391 N GLU A 28 10.303 9.428 4.033 1.00 0.00 N ATOM 392 CA GLU A 28 11.436 8.832 3.334 1.00 0.00 C ATOM 393 C GLU A 28 12.257 7.956 4.276 1.00 0.00 C ATOM 394 O GLU A 28 12.933 8.456 5.174 1.00 0.00 O ATOM 395 CB GLU A 28 12.323 9.924 2.731 1.00 0.00 C ATOM 396 CG GLU A 28 13.436 9.385 1.849 1.00 0.00 C ATOM 397 CD GLU A 28 14.666 8.985 2.641 1.00 0.00 C ATOM 398 OE1 GLU A 28 15.245 9.860 3.319 1.00 0.00 O ATOM 399 OE2 GLU A 28 15.051 7.799 2.583 1.00 0.00 O ATOM 0 H GLU A 28 10.280 10.447 4.008 1.00 0.00 H new ATOM 0 HA GLU A 28 11.047 8.206 2.531 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.703 10.602 2.145 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.762 10.511 3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.069 8.521 1.294 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.712 10.142 1.115 1.00 0.00 H new ATOM 406 N GLY A 29 12.192 6.646 4.063 1.00 0.00 N ATOM 407 CA GLY A 29 12.933 5.720 4.901 1.00 0.00 C ATOM 408 C GLY A 29 12.025 4.805 5.698 1.00 0.00 C ATOM 409 O GLY A 29 12.285 4.527 6.868 1.00 0.00 O ATOM 0 H GLY A 29 11.640 6.209 3.325 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.593 5.118 4.276 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.568 6.283 5.585 1.00 0.00 H new ATOM 413 N ASP A 30 10.955 4.337 5.064 1.00 0.00 N ATOM 414 CA ASP A 30 10.005 3.448 5.721 1.00 0.00 C ATOM 415 C ASP A 30 9.281 2.575 4.701 1.00 0.00 C ATOM 416 O ASP A 30 8.857 3.055 3.649 1.00 0.00 O ATOM 417 CB ASP A 30 8.990 4.259 6.529 1.00 0.00 C ATOM 418 CG ASP A 30 9.591 4.848 7.790 1.00 0.00 C ATOM 419 OD1 ASP A 30 10.256 5.900 7.694 1.00 0.00 O ATOM 420 OD2 ASP A 30 9.398 4.255 8.872 1.00 0.00 O ATOM 0 H ASP A 30 10.724 4.559 4.096 1.00 0.00 H new ATOM 0 HA ASP A 30 10.561 2.799 6.397 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.595 5.063 5.908 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.148 3.620 6.796 1.00 0.00 H new ATOM 425 N ILE A 31 9.144 1.292 5.018 1.00 0.00 N ATOM 426 CA ILE A 31 8.471 0.354 4.129 1.00 0.00 C ATOM 427 C ILE A 31 7.024 0.132 4.556 1.00 0.00 C ATOM 428 O ILE A 31 6.731 -0.016 5.743 1.00 0.00 O ATOM 429 CB ILE A 31 9.197 -1.004 4.090 1.00 0.00 C ATOM 430 CG1 ILE A 31 10.610 -0.836 3.527 1.00 0.00 C ATOM 431 CG2 ILE A 31 8.405 -2.004 3.261 1.00 0.00 C ATOM 432 CD1 ILE A 31 11.590 -0.252 4.520 1.00 0.00 C ATOM 0 H ILE A 31 9.490 0.879 5.884 1.00 0.00 H new ATOM 0 HA ILE A 31 8.489 0.796 3.133 1.00 0.00 H new ATOM 0 HB ILE A 31 9.276 -1.387 5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 31 10.978 -1.807 3.194 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.568 -0.192 2.648 1.00 0.00 H new ATOM 0 HG21 ILE A 31 8.931 -2.959 3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.418 -2.142 3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.298 -1.629 2.243 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.571 -0.161 4.053 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.245 0.733 4.835 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.661 -0.906 5.389 1.00 0.00 H new ATOM 444 N VAL A 32 6.122 0.108 3.580 1.00 0.00 N ATOM 445 CA VAL A 32 4.705 -0.099 3.854 1.00 0.00 C ATOM 446 C VAL A 32 4.185 -1.347 3.150 1.00 0.00 C ATOM 447 O VAL A 32 4.269 -1.464 1.927 1.00 0.00 O ATOM 448 CB VAL A 32 3.865 1.114 3.412 1.00 0.00 C ATOM 449 CG1 VAL A 32 2.399 0.905 3.761 1.00 0.00 C ATOM 450 CG2 VAL A 32 4.395 2.390 4.048 1.00 0.00 C ATOM 0 H VAL A 32 6.347 0.229 2.593 1.00 0.00 H new ATOM 0 HA VAL A 32 4.607 -0.226 4.932 1.00 0.00 H new ATOM 0 HB VAL A 32 3.946 1.214 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.822 1.772 3.441 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.028 0.015 3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.296 0.778 4.839 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.789 3.237 3.724 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.346 2.303 5.133 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.430 2.546 3.743 1.00 0.00 H new ATOM 460 N THR A 33 3.647 -2.279 3.930 1.00 0.00 N ATOM 461 CA THR A 33 3.114 -3.520 3.382 1.00 0.00 C ATOM 462 C THR A 33 1.828 -3.269 2.603 1.00 0.00 C ATOM 463 O THR A 33 0.813 -2.868 3.173 1.00 0.00 O ATOM 464 CB THR A 33 2.835 -4.550 4.493 1.00 0.00 C ATOM 465 OG1 THR A 33 4.048 -4.866 5.184 1.00 0.00 O ATOM 466 CG2 THR A 33 2.230 -5.820 3.913 1.00 0.00 C ATOM 0 H THR A 33 3.569 -2.198 4.944 1.00 0.00 H new ATOM 0 HA THR A 33 3.872 -3.920 2.708 1.00 0.00 H new ATOM 0 HB THR A 33 2.122 -4.113 5.193 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.592 -5.465 4.632 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.042 -6.533 4.716 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.292 -5.580 3.413 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.923 -6.258 3.194 1.00 0.00 H new ATOM 474 N LEU A 34 1.878 -3.508 1.297 1.00 0.00 N ATOM 475 CA LEU A 34 0.716 -3.309 0.438 1.00 0.00 C ATOM 476 C LEU A 34 -0.426 -4.236 0.843 1.00 0.00 C ATOM 477 O LEU A 34 -0.349 -5.450 0.653 1.00 0.00 O ATOM 478 CB LEU A 34 1.090 -3.551 -1.025 1.00 0.00 C ATOM 479 CG LEU A 34 0.319 -2.731 -2.060 1.00 0.00 C ATOM 480 CD1 LEU A 34 0.678 -1.258 -1.949 1.00 0.00 C ATOM 481 CD2 LEU A 34 0.599 -3.246 -3.465 1.00 0.00 C ATOM 0 H LEU A 34 2.711 -3.840 0.810 1.00 0.00 H new ATOM 0 HA LEU A 34 0.382 -2.278 0.555 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.153 -3.344 -1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.944 -4.608 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.747 -2.840 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.120 -0.690 -2.693 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.426 -0.896 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.747 -1.130 -2.122 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.042 -2.651 -4.188 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.666 -3.168 -3.675 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.290 -4.289 -3.539 1.00 0.00 H new ATOM 493 N ILE A 35 -1.484 -3.655 1.399 1.00 0.00 N ATOM 494 CA ILE A 35 -2.643 -4.429 1.827 1.00 0.00 C ATOM 495 C ILE A 35 -3.503 -4.836 0.635 1.00 0.00 C ATOM 496 O ILE A 35 -3.731 -6.021 0.397 1.00 0.00 O ATOM 497 CB ILE A 35 -3.509 -3.640 2.826 1.00 0.00 C ATOM 498 CG1 ILE A 35 -2.743 -3.414 4.131 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.814 -4.376 3.092 1.00 0.00 C ATOM 500 CD1 ILE A 35 -2.356 -4.696 4.834 1.00 0.00 C ATOM 0 H ILE A 35 -1.563 -2.651 1.564 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.261 -5.324 2.318 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.744 -2.668 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.842 -2.839 3.919 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.355 -2.811 4.802 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.415 -3.806 3.800 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.364 -4.490 2.158 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.598 -5.360 3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.816 -4.459 5.751 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.255 -5.263 5.078 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.718 -5.291 4.181 1.00 0.00 H new ATOM 512 N ASN A 36 -3.977 -3.843 -0.112 1.00 0.00 N ATOM 513 CA ASN A 36 -4.811 -4.097 -1.280 1.00 0.00 C ATOM 514 C ASN A 36 -4.407 -3.197 -2.444 1.00 0.00 C ATOM 515 O ASN A 36 -4.033 -2.040 -2.248 1.00 0.00 O ATOM 516 CB ASN A 36 -6.286 -3.875 -0.938 1.00 0.00 C ATOM 517 CG ASN A 36 -6.940 -5.118 -0.366 1.00 0.00 C ATOM 518 OD1 ASN A 36 -6.524 -6.241 -0.654 1.00 0.00 O ATOM 519 ND2 ASN A 36 -7.970 -4.923 0.448 1.00 0.00 N ATOM 0 H ASN A 36 -3.797 -2.856 0.071 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.666 -5.135 -1.579 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.371 -3.060 -0.220 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.822 -3.566 -1.836 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.451 -5.721 0.863 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.281 -3.975 0.659 1.00 0.00 H new ATOM 526 N LYS A 37 -4.485 -3.735 -3.656 1.00 0.00 N ATOM 527 CA LYS A 37 -4.129 -2.981 -4.853 1.00 0.00 C ATOM 528 C LYS A 37 -5.213 -1.965 -5.197 1.00 0.00 C ATOM 529 O LYS A 37 -6.332 -2.041 -4.691 1.00 0.00 O ATOM 530 CB LYS A 37 -3.912 -3.931 -6.033 1.00 0.00 C ATOM 531 CG LYS A 37 -2.663 -4.787 -5.903 1.00 0.00 C ATOM 532 CD LYS A 37 -2.127 -5.199 -7.264 1.00 0.00 C ATOM 533 CE LYS A 37 -0.649 -5.553 -7.196 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.427 -6.895 -6.589 1.00 0.00 N ATOM 0 H LYS A 37 -4.792 -4.691 -3.836 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.202 -2.444 -4.652 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.781 -4.583 -6.129 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.849 -3.348 -6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.896 -4.234 -5.361 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.890 -5.677 -5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.691 -6.055 -7.635 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.276 -4.387 -7.976 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.224 -5.534 -8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.121 -4.799 -6.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.592 -7.099 -6.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.809 -6.906 -5.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.909 -7.618 -7.160 1.00 0.00 H new ATOM 548 N ASP A 38 -4.873 -1.015 -6.062 1.00 0.00 N ATOM 549 CA ASP A 38 -5.818 0.015 -6.476 1.00 0.00 C ATOM 550 C ASP A 38 -6.440 -0.329 -7.826 1.00 0.00 C ATOM 551 O ASP A 38 -5.910 -1.153 -8.572 1.00 0.00 O ATOM 552 CB ASP A 38 -5.122 1.375 -6.553 1.00 0.00 C ATOM 553 CG ASP A 38 -6.105 2.528 -6.596 1.00 0.00 C ATOM 554 OD1 ASP A 38 -6.606 2.920 -5.521 1.00 0.00 O ATOM 555 OD2 ASP A 38 -6.373 3.038 -7.703 1.00 0.00 O ATOM 0 H ASP A 38 -3.950 -0.937 -6.490 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.613 0.064 -5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.466 1.493 -5.691 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.491 1.407 -7.441 1.00 0.00 H new ATOM 560 N CYS A 39 -7.565 0.306 -8.132 1.00 0.00 N ATOM 561 CA CYS A 39 -8.261 0.066 -9.391 1.00 0.00 C ATOM 562 C CYS A 39 -7.310 0.215 -10.575 1.00 0.00 C ATOM 563 O CYS A 39 -6.228 0.788 -10.446 1.00 0.00 O ATOM 564 CB CYS A 39 -9.436 1.033 -9.542 1.00 0.00 C ATOM 565 SG CYS A 39 -10.793 0.731 -8.386 1.00 0.00 S ATOM 0 H CYS A 39 -8.015 0.991 -7.525 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.640 -0.956 -9.378 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.074 2.052 -9.403 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.819 0.967 -10.560 1.00 0.00 H new ATOM 0 HG CYS A 39 -11.738 1.600 -8.590 1.00 0.00 H new ATOM 571 N ILE A 40 -7.720 -0.307 -11.726 1.00 0.00 N ATOM 572 CA ILE A 40 -6.905 -0.232 -12.931 1.00 0.00 C ATOM 573 C ILE A 40 -6.092 1.057 -12.966 1.00 0.00 C ATOM 574 O ILE A 40 -4.998 1.099 -13.530 1.00 0.00 O ATOM 575 CB ILE A 40 -7.770 -0.316 -14.203 1.00 0.00 C ATOM 576 CG1 ILE A 40 -8.527 -1.645 -14.245 1.00 0.00 C ATOM 577 CG2 ILE A 40 -6.905 -0.153 -15.444 1.00 0.00 C ATOM 578 CD1 ILE A 40 -9.816 -1.581 -15.034 1.00 0.00 C ATOM 0 H ILE A 40 -8.612 -0.786 -11.849 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.227 -1.085 -12.906 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.498 0.495 -14.183 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.882 -2.408 -14.680 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -8.750 -1.959 -13.225 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.531 -0.215 -16.334 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.408 0.817 -15.416 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.156 -0.944 -15.472 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -10.299 -2.558 -15.021 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -10.480 -0.842 -14.586 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -9.599 -1.297 -16.064 1.00 0.00 H new ATOM 590 N ASP A 41 -6.633 2.108 -12.359 1.00 0.00 N ATOM 591 CA ASP A 41 -5.957 3.399 -12.318 1.00 0.00 C ATOM 592 C ASP A 41 -4.721 3.338 -11.426 1.00 0.00 C ATOM 593 O ASP A 41 -4.805 2.965 -10.256 1.00 0.00 O ATOM 594 CB ASP A 41 -6.912 4.483 -11.814 1.00 0.00 C ATOM 595 CG ASP A 41 -8.118 4.658 -12.716 1.00 0.00 C ATOM 596 OD1 ASP A 41 -8.901 3.695 -12.853 1.00 0.00 O ATOM 597 OD2 ASP A 41 -8.278 5.758 -13.284 1.00 0.00 O ATOM 0 H ASP A 41 -7.538 2.091 -11.889 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.640 3.647 -13.331 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.248 4.228 -10.809 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.376 5.429 -11.741 1.00 0.00 H new ATOM 602 N VAL A 42 -3.573 3.704 -11.988 1.00 0.00 N ATOM 603 CA VAL A 42 -2.320 3.690 -11.243 1.00 0.00 C ATOM 604 C VAL A 42 -2.083 5.023 -10.541 1.00 0.00 C ATOM 605 O VAL A 42 -2.566 6.064 -10.983 1.00 0.00 O ATOM 606 CB VAL A 42 -1.123 3.389 -12.165 1.00 0.00 C ATOM 607 CG1 VAL A 42 0.175 3.387 -11.372 1.00 0.00 C ATOM 608 CG2 VAL A 42 -1.323 2.061 -12.880 1.00 0.00 C ATOM 0 H VAL A 42 -3.485 4.014 -12.956 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.404 2.899 -10.497 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.059 4.175 -12.917 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.009 3.173 -12.040 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.321 4.364 -10.911 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.126 2.623 -10.596 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.468 1.864 -13.527 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.413 1.262 -12.144 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.231 2.105 -13.481 1.00 0.00 H new ATOM 618 N GLY A 43 -1.335 4.982 -9.443 1.00 0.00 N ATOM 619 CA GLY A 43 -1.046 6.193 -8.696 1.00 0.00 C ATOM 620 C GLY A 43 -1.550 6.127 -7.268 1.00 0.00 C ATOM 621 O GLY A 43 -1.146 6.926 -6.423 1.00 0.00 O ATOM 0 H GLY A 43 -0.924 4.132 -9.057 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.030 6.365 -8.691 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.502 7.045 -9.200 1.00 0.00 H new ATOM 625 N TRP A 44 -2.434 5.174 -6.998 1.00 0.00 N ATOM 626 CA TRP A 44 -2.994 5.008 -5.661 1.00 0.00 C ATOM 627 C TRP A 44 -2.749 3.597 -5.139 1.00 0.00 C ATOM 628 O TRP A 44 -2.658 2.646 -5.915 1.00 0.00 O ATOM 629 CB TRP A 44 -4.494 5.307 -5.675 1.00 0.00 C ATOM 630 CG TRP A 44 -4.825 6.664 -6.218 1.00 0.00 C ATOM 631 CD1 TRP A 44 -5.261 6.958 -7.478 1.00 0.00 C ATOM 632 CD2 TRP A 44 -4.744 7.911 -5.518 1.00 0.00 C ATOM 633 NE1 TRP A 44 -5.456 8.313 -7.604 1.00 0.00 N ATOM 634 CE2 TRP A 44 -5.146 8.919 -6.416 1.00 0.00 C ATOM 635 CE3 TRP A 44 -4.372 8.273 -4.221 1.00 0.00 C ATOM 636 CZ2 TRP A 44 -5.186 10.263 -6.055 1.00 0.00 C ATOM 637 CZ3 TRP A 44 -4.411 9.607 -3.865 1.00 0.00 C ATOM 638 CH2 TRP A 44 -4.816 10.590 -4.779 1.00 0.00 C ATOM 0 H TRP A 44 -2.779 4.505 -7.686 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.496 5.712 -4.995 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.002 4.551 -6.273 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -4.883 5.225 -4.660 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.428 6.233 -8.261 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.779 8.790 -8.446 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.059 7.523 -3.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.498 11.021 -6.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.125 9.898 -2.865 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.836 11.625 -4.470 1.00 0.00 H new ATOM 649 N TRP A 45 -2.645 3.468 -3.821 1.00 0.00 N ATOM 650 CA TRP A 45 -2.410 2.171 -3.197 1.00 0.00 C ATOM 651 C TRP A 45 -2.660 2.238 -1.694 1.00 0.00 C ATOM 652 O TRP A 45 -2.517 3.294 -1.079 1.00 0.00 O ATOM 653 CB TRP A 45 -0.980 1.702 -3.468 1.00 0.00 C ATOM 654 CG TRP A 45 -0.826 0.992 -4.779 1.00 0.00 C ATOM 655 CD1 TRP A 45 -1.809 0.368 -5.493 1.00 0.00 C ATOM 656 CD2 TRP A 45 0.382 0.831 -5.530 1.00 0.00 C ATOM 657 NE1 TRP A 45 -1.284 -0.171 -6.643 1.00 0.00 N ATOM 658 CE2 TRP A 45 0.058 0.100 -6.689 1.00 0.00 C ATOM 659 CE3 TRP A 45 1.706 1.235 -5.337 1.00 0.00 C ATOM 660 CZ2 TRP A 45 1.010 -0.234 -7.648 1.00 0.00 C ATOM 661 CZ3 TRP A 45 2.650 0.902 -6.289 1.00 0.00 C ATOM 662 CH2 TRP A 45 2.298 0.174 -7.434 1.00 0.00 C ATOM 0 H TRP A 45 -2.720 4.245 -3.164 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.107 1.455 -3.632 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.313 2.564 -3.449 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.665 1.037 -2.664 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.846 0.307 -5.197 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.809 -0.689 -7.348 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.986 1.798 -4.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.741 -0.796 -8.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.676 1.208 -6.149 1.00 0.00 H new ATOM 0 HH2 TRP A 45 3.058 -0.069 -8.161 1.00 0.00 H new ATOM 673 N GLU A 46 -3.034 1.104 -1.109 1.00 0.00 N ATOM 674 CA GLU A 46 -3.304 1.036 0.322 1.00 0.00 C ATOM 675 C GLU A 46 -2.312 0.110 1.020 1.00 0.00 C ATOM 676 O GLU A 46 -2.058 -1.003 0.562 1.00 0.00 O ATOM 677 CB GLU A 46 -4.734 0.550 0.571 1.00 0.00 C ATOM 678 CG GLU A 46 -5.351 1.105 1.844 1.00 0.00 C ATOM 679 CD GLU A 46 -6.867 1.050 1.829 1.00 0.00 C ATOM 680 OE1 GLU A 46 -7.418 -0.021 1.496 1.00 0.00 O ATOM 681 OE2 GLU A 46 -7.501 2.076 2.149 1.00 0.00 O ATOM 0 H GLU A 46 -3.157 0.221 -1.604 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.191 2.038 0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.358 0.831 -0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.735 -0.539 0.621 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.979 0.541 2.700 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.030 2.138 1.979 1.00 0.00 H new ATOM 688 N GLY A 47 -1.753 0.581 2.131 1.00 0.00 N ATOM 689 CA GLY A 47 -0.794 -0.216 2.874 1.00 0.00 C ATOM 690 C GLY A 47 -0.897 -0.001 4.371 1.00 0.00 C ATOM 691 O GLY A 47 -1.580 0.916 4.826 1.00 0.00 O ATOM 0 H GLY A 47 -1.947 1.500 2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.952 -1.271 2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.214 0.033 2.543 1.00 0.00 H new ATOM 695 N GLU A 48 -0.219 -0.849 5.137 1.00 0.00 N ATOM 696 CA GLU A 48 -0.240 -0.748 6.592 1.00 0.00 C ATOM 697 C GLU A 48 1.098 -0.241 7.121 1.00 0.00 C ATOM 698 O GLU A 48 2.150 -0.811 6.830 1.00 0.00 O ATOM 699 CB GLU A 48 -0.566 -2.106 7.215 1.00 0.00 C ATOM 700 CG GLU A 48 -1.267 -2.007 8.560 1.00 0.00 C ATOM 701 CD GLU A 48 -1.696 -3.359 9.096 1.00 0.00 C ATOM 702 OE1 GLU A 48 -2.180 -4.187 8.296 1.00 0.00 O ATOM 703 OE2 GLU A 48 -1.549 -3.589 10.314 1.00 0.00 O ATOM 0 H GLU A 48 0.351 -1.613 4.775 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.015 -0.034 6.870 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.196 -2.670 6.527 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.358 -2.671 7.337 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.600 -1.531 9.279 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.142 -1.365 8.463 1.00 0.00 H new ATOM 710 N LEU A 49 1.050 0.834 7.901 1.00 0.00 N ATOM 711 CA LEU A 49 2.258 1.419 8.471 1.00 0.00 C ATOM 712 C LEU A 49 2.042 1.796 9.934 1.00 0.00 C ATOM 713 O LEU A 49 1.173 2.605 10.255 1.00 0.00 O ATOM 714 CB LEU A 49 2.677 2.654 7.672 1.00 0.00 C ATOM 715 CG LEU A 49 3.881 3.427 8.212 1.00 0.00 C ATOM 716 CD1 LEU A 49 5.178 2.728 7.834 1.00 0.00 C ATOM 717 CD2 LEU A 49 3.873 4.857 7.692 1.00 0.00 C ATOM 0 H LEU A 49 0.188 1.317 8.153 1.00 0.00 H new ATOM 0 HA LEU A 49 3.052 0.674 8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.898 2.343 6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.827 3.334 7.621 1.00 0.00 H new ATOM 0 HG LEU A 49 3.812 3.456 9.299 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.024 3.293 8.227 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.186 1.723 8.255 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.255 2.667 6.748 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.737 5.392 8.086 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.918 4.848 6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.959 5.356 8.014 1.00 0.00 H new ATOM 729 N ASN A 50 2.841 1.205 10.816 1.00 0.00 N ATOM 730 CA ASN A 50 2.739 1.479 12.245 1.00 0.00 C ATOM 731 C ASN A 50 1.307 1.283 12.735 1.00 0.00 C ATOM 732 O ASN A 50 0.802 2.067 13.537 1.00 0.00 O ATOM 733 CB ASN A 50 3.202 2.906 12.545 1.00 0.00 C ATOM 734 CG ASN A 50 4.660 3.128 12.192 1.00 0.00 C ATOM 735 OD1 ASN A 50 5.519 2.306 12.512 1.00 0.00 O ATOM 736 ND2 ASN A 50 4.945 4.242 11.527 1.00 0.00 N ATOM 0 H ASN A 50 3.567 0.533 10.566 1.00 0.00 H new ATOM 0 HA ASN A 50 3.384 0.776 12.772 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.585 3.610 11.987 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.051 3.119 13.603 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.909 4.445 11.261 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.200 4.895 11.283 1.00 0.00 H new ATOM 743 N GLY A 51 0.659 0.230 12.246 1.00 0.00 N ATOM 744 CA GLY A 51 -0.708 -0.051 12.645 1.00 0.00 C ATOM 745 C GLY A 51 -1.689 0.975 12.114 1.00 0.00 C ATOM 746 O GLY A 51 -2.593 1.407 12.829 1.00 0.00 O ATOM 0 H GLY A 51 1.056 -0.433 11.581 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.992 -1.040 12.286 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.768 -0.077 13.733 1.00 0.00 H new ATOM 750 N ARG A 52 -1.511 1.367 10.857 1.00 0.00 N ATOM 751 CA ARG A 52 -2.387 2.350 10.231 1.00 0.00 C ATOM 752 C ARG A 52 -2.755 1.926 8.812 1.00 0.00 C ATOM 753 O ARG A 52 -1.882 1.635 7.995 1.00 0.00 O ATOM 754 CB ARG A 52 -1.711 3.723 10.206 1.00 0.00 C ATOM 755 CG ARG A 52 -1.401 4.275 11.587 1.00 0.00 C ATOM 756 CD ARG A 52 -2.576 5.059 12.151 1.00 0.00 C ATOM 757 NE ARG A 52 -2.238 5.724 13.406 1.00 0.00 N ATOM 758 CZ ARG A 52 -3.136 6.051 14.329 1.00 0.00 C ATOM 759 NH1 ARG A 52 -4.419 5.775 14.138 1.00 0.00 N ATOM 760 NH2 ARG A 52 -2.751 6.654 15.446 1.00 0.00 N ATOM 0 H ARG A 52 -0.768 1.019 10.252 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.301 2.413 10.821 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.785 3.652 9.636 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.356 4.426 9.679 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.153 3.455 12.260 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.524 4.920 11.534 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.899 5.803 11.422 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.417 4.385 12.313 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.259 5.950 13.584 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.719 5.310 13.281 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.106 6.027 14.848 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -1.765 6.867 15.597 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.441 6.905 16.154 1.00 0.00 H new ATOM 774 N ARG A 53 -4.052 1.893 8.528 1.00 0.00 N ATOM 775 CA ARG A 53 -4.536 1.502 7.209 1.00 0.00 C ATOM 776 C ARG A 53 -5.109 2.704 6.463 1.00 0.00 C ATOM 777 O ARG A 53 -6.185 3.198 6.796 1.00 0.00 O ATOM 778 CB ARG A 53 -5.601 0.411 7.335 1.00 0.00 C ATOM 779 CG ARG A 53 -5.025 -0.985 7.503 1.00 0.00 C ATOM 780 CD ARG A 53 -6.053 -2.056 7.174 1.00 0.00 C ATOM 781 NE ARG A 53 -6.943 -2.325 8.300 1.00 0.00 N ATOM 782 CZ ARG A 53 -6.579 -3.011 9.378 1.00 0.00 C ATOM 783 NH1 ARG A 53 -5.348 -3.494 9.474 1.00 0.00 N ATOM 784 NH2 ARG A 53 -7.446 -3.214 10.361 1.00 0.00 N ATOM 0 H ARG A 53 -4.787 2.132 9.193 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.692 1.111 6.641 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.241 0.636 8.188 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.235 0.429 6.448 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.156 -1.102 6.855 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.678 -1.115 8.528 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.643 -1.740 6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.541 -2.975 6.889 1.00 0.00 H new ATOM 0 HE ARG A 53 -7.897 -1.966 8.257 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.679 -3.339 8.720 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.070 -4.020 10.302 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -8.394 -2.843 10.290 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.165 -3.741 11.188 1.00 0.00 H new ATOM 798 N GLY A 54 -4.381 3.168 5.452 1.00 0.00 N ATOM 799 CA GLY A 54 -4.833 4.308 4.675 1.00 0.00 C ATOM 800 C GLY A 54 -4.274 4.307 3.266 1.00 0.00 C ATOM 801 O GLY A 54 -3.278 3.640 2.986 1.00 0.00 O ATOM 0 H GLY A 54 -3.487 2.775 5.157 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.922 4.305 4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.537 5.228 5.179 1.00 0.00 H new ATOM 805 N VAL A 55 -4.918 5.054 2.375 1.00 0.00 N ATOM 806 CA VAL A 55 -4.480 5.137 0.987 1.00 0.00 C ATOM 807 C VAL A 55 -3.305 6.096 0.838 1.00 0.00 C ATOM 808 O VAL A 55 -3.156 7.038 1.616 1.00 0.00 O ATOM 809 CB VAL A 55 -5.625 5.597 0.064 1.00 0.00 C ATOM 810 CG1 VAL A 55 -6.773 4.601 0.100 1.00 0.00 C ATOM 811 CG2 VAL A 55 -6.100 6.987 0.458 1.00 0.00 C ATOM 0 H VAL A 55 -5.745 5.611 2.590 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.167 4.135 0.693 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.249 5.643 -0.958 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.572 4.943 -0.558 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.419 3.626 -0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.152 4.519 1.119 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.909 7.296 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.459 6.971 1.487 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.273 7.692 0.374 1.00 0.00 H new ATOM 821 N PHE A 56 -2.472 5.850 -0.168 1.00 0.00 N ATOM 822 CA PHE A 56 -1.308 6.692 -0.420 1.00 0.00 C ATOM 823 C PHE A 56 -0.945 6.689 -1.902 1.00 0.00 C ATOM 824 O PHE A 56 -1.217 5.735 -2.632 1.00 0.00 O ATOM 825 CB PHE A 56 -0.115 6.211 0.410 1.00 0.00 C ATOM 826 CG PHE A 56 0.308 4.806 0.092 1.00 0.00 C ATOM 827 CD1 PHE A 56 0.871 4.499 -1.136 1.00 0.00 C ATOM 828 CD2 PHE A 56 0.143 3.792 1.022 1.00 0.00 C ATOM 829 CE1 PHE A 56 1.263 3.206 -1.431 1.00 0.00 C ATOM 830 CE2 PHE A 56 0.533 2.498 0.732 1.00 0.00 C ATOM 831 CZ PHE A 56 1.093 2.204 -0.496 1.00 0.00 C ATOM 0 H PHE A 56 -2.581 5.075 -0.822 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.558 7.712 -0.127 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.728 6.882 0.244 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.369 6.275 1.468 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.005 5.278 -1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.295 4.015 1.984 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.702 2.980 -2.392 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.400 1.717 1.466 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.397 1.193 -0.724 1.00 0.00 H new ATOM 841 N PRO A 57 -0.316 7.782 -2.359 1.00 0.00 N ATOM 842 CA PRO A 57 0.098 7.930 -3.757 1.00 0.00 C ATOM 843 C PRO A 57 1.246 6.996 -4.124 1.00 0.00 C ATOM 844 O PRO A 57 2.365 7.149 -3.633 1.00 0.00 O ATOM 845 CB PRO A 57 0.550 9.391 -3.840 1.00 0.00 C ATOM 846 CG PRO A 57 0.949 9.743 -2.449 1.00 0.00 C ATOM 847 CD PRO A 57 0.040 8.956 -1.545 1.00 0.00 C ATOM 0 HA PRO A 57 -0.706 7.678 -4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.383 9.509 -4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.254 10.035 -4.196 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.994 9.491 -2.267 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.844 10.813 -2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.543 8.668 -0.622 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.842 9.531 -1.262 1.00 0.00 H new ATOM 855 N ASP A 58 0.963 6.030 -4.991 1.00 0.00 N ATOM 856 CA ASP A 58 1.972 5.072 -5.425 1.00 0.00 C ATOM 857 C ASP A 58 3.220 5.789 -5.932 1.00 0.00 C ATOM 858 O ASP A 58 4.338 5.468 -5.531 1.00 0.00 O ATOM 859 CB ASP A 58 1.409 4.167 -6.522 1.00 0.00 C ATOM 860 CG ASP A 58 2.486 3.648 -7.454 1.00 0.00 C ATOM 861 OD1 ASP A 58 3.632 3.465 -6.993 1.00 0.00 O ATOM 862 OD2 ASP A 58 2.182 3.423 -8.644 1.00 0.00 O ATOM 0 H ASP A 58 0.042 5.890 -5.407 1.00 0.00 H new ATOM 0 HA ASP A 58 2.249 4.460 -4.566 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.892 3.324 -6.064 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.668 4.719 -7.100 1.00 0.00 H new ATOM 867 N ASN A 59 3.020 6.761 -6.816 1.00 0.00 N ATOM 868 CA ASN A 59 4.129 7.523 -7.378 1.00 0.00 C ATOM 869 C ASN A 59 5.152 7.871 -6.301 1.00 0.00 C ATOM 870 O ASN A 59 6.359 7.811 -6.534 1.00 0.00 O ATOM 871 CB ASN A 59 3.613 8.802 -8.039 1.00 0.00 C ATOM 872 CG ASN A 59 2.911 8.531 -9.356 1.00 0.00 C ATOM 873 OD1 ASN A 59 1.700 8.314 -9.394 1.00 0.00 O ATOM 874 ND2 ASN A 59 3.672 8.540 -10.445 1.00 0.00 N ATOM 0 H ASN A 59 2.100 7.039 -7.159 1.00 0.00 H new ATOM 0 HA ASN A 59 4.617 6.904 -8.131 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.924 9.306 -7.361 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.448 9.482 -8.209 1.00 0.00 H new ATOM 0 HD21 ASN A 59 3.256 8.362 -11.359 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.672 8.725 -10.367 1.00 0.00 H new ATOM 881 N PHE A 60 4.660 8.233 -5.121 1.00 0.00 N ATOM 882 CA PHE A 60 5.531 8.591 -4.007 1.00 0.00 C ATOM 883 C PHE A 60 6.352 7.389 -3.551 1.00 0.00 C ATOM 884 O PHE A 60 7.517 7.525 -3.177 1.00 0.00 O ATOM 885 CB PHE A 60 4.703 9.130 -2.838 1.00 0.00 C ATOM 886 CG PHE A 60 4.430 10.604 -2.927 1.00 0.00 C ATOM 887 CD1 PHE A 60 3.753 11.132 -4.015 1.00 0.00 C ATOM 888 CD2 PHE A 60 4.849 11.462 -1.924 1.00 0.00 C ATOM 889 CE1 PHE A 60 3.501 12.488 -4.100 1.00 0.00 C ATOM 890 CE2 PHE A 60 4.600 12.819 -2.003 1.00 0.00 C ATOM 891 CZ PHE A 60 3.923 13.333 -3.092 1.00 0.00 C ATOM 0 H PHE A 60 3.663 8.286 -4.911 1.00 0.00 H new ATOM 0 HA PHE A 60 6.215 9.368 -4.348 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.754 8.595 -2.798 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.227 8.921 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.419 10.476 -4.805 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.377 11.066 -1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.974 12.887 -4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.934 13.477 -1.214 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.724 14.393 -3.155 1.00 0.00 H new ATOM 901 N VAL A 61 5.736 6.211 -3.585 1.00 0.00 N ATOM 902 CA VAL A 61 6.410 4.984 -3.176 1.00 0.00 C ATOM 903 C VAL A 61 6.841 4.165 -4.387 1.00 0.00 C ATOM 904 O VAL A 61 6.524 4.505 -5.527 1.00 0.00 O ATOM 905 CB VAL A 61 5.503 4.118 -2.281 1.00 0.00 C ATOM 906 CG1 VAL A 61 4.975 4.932 -1.110 1.00 0.00 C ATOM 907 CG2 VAL A 61 4.359 3.531 -3.092 1.00 0.00 C ATOM 0 H VAL A 61 4.772 6.081 -3.891 1.00 0.00 H new ATOM 0 HA VAL A 61 7.292 5.280 -2.609 1.00 0.00 H new ATOM 0 HB VAL A 61 6.095 3.294 -1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.336 4.304 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.812 5.299 -0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.398 5.777 -1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.728 2.922 -2.444 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.766 4.338 -3.521 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.762 2.911 -3.893 1.00 0.00 H new ATOM 917 N LYS A 62 7.568 3.081 -4.133 1.00 0.00 N ATOM 918 CA LYS A 62 8.043 2.210 -5.201 1.00 0.00 C ATOM 919 C LYS A 62 7.936 0.744 -4.796 1.00 0.00 C ATOM 920 O LYS A 62 7.931 0.416 -3.608 1.00 0.00 O ATOM 921 CB LYS A 62 9.493 2.548 -5.556 1.00 0.00 C ATOM 922 CG LYS A 62 9.648 3.870 -6.287 1.00 0.00 C ATOM 923 CD LYS A 62 9.473 3.701 -7.787 1.00 0.00 C ATOM 924 CE LYS A 62 10.734 3.151 -8.437 1.00 0.00 C ATOM 925 NZ LYS A 62 10.750 3.390 -9.907 1.00 0.00 N ATOM 0 H LYS A 62 7.841 2.785 -3.196 1.00 0.00 H new ATOM 0 HA LYS A 62 7.414 2.373 -6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.085 2.577 -4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.902 1.750 -6.175 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.913 4.583 -5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.633 4.288 -6.079 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.638 3.028 -7.983 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.221 4.662 -8.235 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.609 3.617 -7.984 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.806 2.081 -8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.625 3.001 -10.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.929 2.924 -10.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.707 4.412 -10.093 1.00 0.00 H new ATOM 939 N LEU A 63 7.852 -0.135 -5.788 1.00 0.00 N ATOM 940 CA LEU A 63 7.747 -1.568 -5.534 1.00 0.00 C ATOM 941 C LEU A 63 9.128 -2.208 -5.446 1.00 0.00 C ATOM 942 O LEU A 63 9.915 -2.146 -6.392 1.00 0.00 O ATOM 943 CB LEU A 63 6.929 -2.243 -6.637 1.00 0.00 C ATOM 944 CG LEU A 63 5.424 -2.346 -6.389 1.00 0.00 C ATOM 945 CD1 LEU A 63 5.129 -3.396 -5.329 1.00 0.00 C ATOM 946 CD2 LEU A 63 4.857 -0.995 -5.975 1.00 0.00 C ATOM 0 H LEU A 63 7.855 0.119 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 63 7.241 -1.706 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.087 -1.695 -7.566 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.322 -3.248 -6.789 1.00 0.00 H new ATOM 0 HG LEU A 63 4.942 -2.650 -7.318 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.053 -3.456 -5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.499 -4.365 -5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.623 -3.121 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.785 -1.088 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.344 -0.661 -5.059 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.036 -0.267 -6.767 1.00 0.00 H new ATOM 958 N LEU A 64 9.417 -2.825 -4.305 1.00 0.00 N ATOM 959 CA LEU A 64 10.704 -3.479 -4.094 1.00 0.00 C ATOM 960 C LEU A 64 10.755 -4.824 -4.813 1.00 0.00 C ATOM 961 O LEU A 64 10.036 -5.757 -4.457 1.00 0.00 O ATOM 962 CB LEU A 64 10.957 -3.678 -2.599 1.00 0.00 C ATOM 963 CG LEU A 64 11.028 -2.404 -1.755 1.00 0.00 C ATOM 964 CD1 LEU A 64 11.000 -2.744 -0.273 1.00 0.00 C ATOM 965 CD2 LEU A 64 12.277 -1.606 -2.098 1.00 0.00 C ATOM 0 H LEU A 64 8.778 -2.886 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 64 11.483 -2.837 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.166 -4.312 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.894 -4.222 -2.479 1.00 0.00 H new ATOM 0 HG LEU A 64 10.156 -1.791 -1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 64 11.051 -1.826 0.312 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.076 -3.273 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.853 -3.378 -0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 64 12.311 -0.703 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 64 13.161 -2.211 -1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.255 -1.331 -3.152 1.00 0.00 H new ATOM 977 N SER A 65 11.612 -4.915 -5.825 1.00 0.00 N ATOM 978 CA SER A 65 11.757 -6.145 -6.595 1.00 0.00 C ATOM 979 C SER A 65 10.421 -6.568 -7.198 1.00 0.00 C ATOM 980 O SER A 65 10.070 -7.748 -7.192 1.00 0.00 O ATOM 981 CB SER A 65 12.308 -7.264 -5.710 1.00 0.00 C ATOM 982 OG SER A 65 12.975 -8.245 -6.485 1.00 0.00 O ATOM 0 H SER A 65 12.216 -4.152 -6.131 1.00 0.00 H new ATOM 0 HA SER A 65 12.459 -5.956 -7.407 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.997 -6.846 -4.976 1.00 0.00 H new ATOM 0 HB3 SER A 65 11.493 -7.727 -5.154 1.00 0.00 H new ATOM 0 HG SER A 65 13.319 -8.949 -5.896 1.00 0.00 H new ATOM 988 N GLY A 66 9.678 -5.596 -7.719 1.00 0.00 N ATOM 989 CA GLY A 66 8.389 -5.887 -8.319 1.00 0.00 C ATOM 990 C GLY A 66 8.282 -5.373 -9.741 1.00 0.00 C ATOM 991 O GLY A 66 7.856 -4.244 -9.985 1.00 0.00 O ATOM 0 H GLY A 66 9.946 -4.612 -7.736 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.223 -6.964 -8.312 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.601 -5.439 -7.714 1.00 0.00 H new ATOM 995 N PRO A 67 8.677 -6.213 -10.709 1.00 0.00 N ATOM 996 CA PRO A 67 8.633 -5.858 -12.131 1.00 0.00 C ATOM 997 C PRO A 67 7.207 -5.762 -12.661 1.00 0.00 C ATOM 998 O PRO A 67 6.494 -6.763 -12.736 1.00 0.00 O ATOM 999 CB PRO A 67 9.378 -7.012 -12.807 1.00 0.00 C ATOM 1000 CG PRO A 67 9.222 -8.163 -11.874 1.00 0.00 C ATOM 1001 CD PRO A 67 9.196 -7.574 -10.491 1.00 0.00 C ATOM 0 HA PRO A 67 9.073 -4.879 -12.320 1.00 0.00 H new ATOM 0 HB2 PRO A 67 8.955 -7.236 -13.786 1.00 0.00 H new ATOM 0 HB3 PRO A 67 10.429 -6.768 -12.962 1.00 0.00 H new ATOM 0 HG2 PRO A 67 8.304 -8.712 -12.082 1.00 0.00 H new ATOM 0 HG3 PRO A 67 10.046 -8.868 -11.983 1.00 0.00 H new ATOM 0 HD2 PRO A 67 8.553 -8.147 -9.822 1.00 0.00 H new ATOM 0 HD3 PRO A 67 10.189 -7.558 -10.042 1.00 0.00 H new ATOM 1009 N SER A 68 6.797 -4.552 -13.027 1.00 0.00 N ATOM 1010 CA SER A 68 5.454 -4.325 -13.548 1.00 0.00 C ATOM 1011 C SER A 68 5.501 -3.509 -14.836 1.00 0.00 C ATOM 1012 O SER A 68 6.252 -2.539 -14.942 1.00 0.00 O ATOM 1013 CB SER A 68 4.595 -3.606 -12.505 1.00 0.00 C ATOM 1014 OG SER A 68 3.230 -3.599 -12.886 1.00 0.00 O ATOM 0 H SER A 68 7.375 -3.714 -12.972 1.00 0.00 H new ATOM 0 HA SER A 68 5.008 -5.295 -13.770 1.00 0.00 H new ATOM 0 HB2 SER A 68 4.704 -4.098 -11.538 1.00 0.00 H new ATOM 0 HB3 SER A 68 4.947 -2.582 -12.383 1.00 0.00 H new ATOM 0 HG SER A 68 2.702 -3.136 -12.203 1.00 0.00 H new ATOM 1020 N SER A 69 4.693 -3.908 -15.812 1.00 0.00 N ATOM 1021 CA SER A 69 4.644 -3.217 -17.095 1.00 0.00 C ATOM 1022 C SER A 69 3.705 -2.016 -17.030 1.00 0.00 C ATOM 1023 O SER A 69 2.741 -2.009 -16.266 1.00 0.00 O ATOM 1024 CB SER A 69 4.189 -4.175 -18.197 1.00 0.00 C ATOM 1025 OG SER A 69 5.232 -5.060 -18.567 1.00 0.00 O ATOM 0 H SER A 69 4.063 -4.707 -15.739 1.00 0.00 H new ATOM 0 HA SER A 69 5.648 -2.860 -17.326 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.328 -4.747 -17.853 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.866 -3.605 -19.068 1.00 0.00 H new ATOM 0 HG SER A 69 4.915 -5.663 -19.272 1.00 0.00 H new ATOM 1031 N GLY A 70 3.995 -1.001 -17.838 1.00 0.00 N ATOM 1032 CA GLY A 70 3.169 0.192 -17.857 1.00 0.00 C ATOM 1033 C GLY A 70 3.942 1.438 -17.475 1.00 0.00 C ATOM 1034 O GLY A 70 3.911 2.439 -18.191 1.00 0.00 O ATOM 0 H GLY A 70 4.787 -0.984 -18.480 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.746 0.322 -18.853 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.333 0.062 -17.170 1.00 0.00 H new TER 1038 GLY A 70