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+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 178:sc= 0.049 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 -13:sc= -0.284 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.0991 X(o=-0.099,f=-0.52) USER MOD Single : A 20 ASN : amide:sc= -1.85! K(o=-1.8!,f=-0.8) USER MOD Single : A 25 THR OG1 : rot -106:sc= 0.137 USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.274) USER MOD Single : A 33 THR OG1 : rot -81:sc= 0.318 USER MOD Single : A 36 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.94) 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= -0.0354 X(o=-0.035,f=-0.016) USER MOD Single : A 59 ASN : amide:sc= -0.467 K(o=-0.47,f=-1.8!) 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= -0.0366 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.953 -14.354 -3.748 1.00 0.00 N ATOM 2 CA GLY A 1 1.351 -14.642 -5.037 1.00 0.00 C ATOM 3 C GLY A 1 2.191 -14.138 -6.194 1.00 0.00 C ATOM 4 O GLY A 1 2.652 -14.923 -7.023 1.00 0.00 O ATOM 0 H1 GLY A 1 1.341 -14.718 -2.990 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.885 -14.811 -3.690 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.065 -13.326 -3.639 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.210 -15.718 -5.136 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.363 -14.185 -5.083 1.00 0.00 H new ATOM 8 N SER A 2 2.389 -12.825 -6.252 1.00 0.00 N ATOM 9 CA SER A 2 3.174 -12.217 -7.320 1.00 0.00 C ATOM 10 C SER A 2 4.667 -12.409 -7.073 1.00 0.00 C ATOM 11 O SER A 2 5.404 -12.841 -7.959 1.00 0.00 O ATOM 12 CB SER A 2 2.852 -10.726 -7.434 1.00 0.00 C ATOM 13 OG SER A 2 3.304 -10.199 -8.669 1.00 0.00 O ATOM 0 H SER A 2 2.017 -12.162 -5.572 1.00 0.00 H new ATOM 0 HA SER A 2 2.911 -12.710 -8.256 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.776 -10.575 -7.343 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.321 -10.186 -6.611 1.00 0.00 H new ATOM 0 HG SER A 2 3.084 -9.245 -8.718 1.00 0.00 H new ATOM 19 N SER A 3 5.107 -12.084 -5.861 1.00 0.00 N ATOM 20 CA SER A 3 6.512 -12.216 -5.497 1.00 0.00 C ATOM 21 C SER A 3 6.677 -13.140 -4.294 1.00 0.00 C ATOM 22 O SER A 3 5.697 -13.555 -3.677 1.00 0.00 O ATOM 23 CB SER A 3 7.111 -10.843 -5.185 1.00 0.00 C ATOM 24 OG SER A 3 8.527 -10.878 -5.246 1.00 0.00 O ATOM 0 H SER A 3 4.510 -11.727 -5.115 1.00 0.00 H new ATOM 0 HA SER A 3 7.042 -12.652 -6.344 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.731 -10.108 -5.894 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.794 -10.522 -4.193 1.00 0.00 H new ATOM 0 HG SER A 3 8.884 -9.981 -5.076 1.00 0.00 H new ATOM 30 N GLY A 4 7.926 -13.458 -3.967 1.00 0.00 N ATOM 31 CA GLY A 4 8.198 -14.331 -2.840 1.00 0.00 C ATOM 32 C GLY A 4 7.233 -14.114 -1.692 1.00 0.00 C ATOM 33 O GLY A 4 6.324 -14.916 -1.476 1.00 0.00 O ATOM 0 H GLY A 4 8.754 -13.127 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.141 -15.369 -3.167 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.217 -14.162 -2.491 1.00 0.00 H new ATOM 37 N SER A 5 7.430 -13.028 -0.952 1.00 0.00 N ATOM 38 CA SER A 5 6.573 -12.710 0.184 1.00 0.00 C ATOM 39 C SER A 5 5.114 -12.602 -0.250 1.00 0.00 C ATOM 40 O SER A 5 4.785 -11.868 -1.182 1.00 0.00 O ATOM 41 CB SER A 5 7.021 -11.402 0.838 1.00 0.00 C ATOM 42 OG SER A 5 6.686 -11.379 2.215 1.00 0.00 O ATOM 0 H SER A 5 8.176 -12.353 -1.119 1.00 0.00 H new ATOM 0 HA SER A 5 6.659 -13.518 0.910 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.098 -11.283 0.721 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.550 -10.559 0.332 1.00 0.00 H new ATOM 0 HG SER A 5 6.985 -10.533 2.610 1.00 0.00 H new ATOM 48 N SER A 6 4.244 -13.339 0.433 1.00 0.00 N ATOM 49 CA SER A 6 2.820 -13.329 0.117 1.00 0.00 C ATOM 50 C SER A 6 2.345 -11.916 -0.206 1.00 0.00 C ATOM 51 O SER A 6 1.634 -11.697 -1.186 1.00 0.00 O ATOM 52 CB SER A 6 2.013 -13.897 1.286 1.00 0.00 C ATOM 53 OG SER A 6 0.673 -14.153 0.903 1.00 0.00 O ATOM 0 H SER A 6 4.500 -13.950 1.208 1.00 0.00 H new ATOM 0 HA SER A 6 2.663 -13.955 -0.761 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.476 -14.819 1.638 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.029 -13.194 2.119 1.00 0.00 H new ATOM 0 HG SER A 6 0.178 -14.517 1.667 1.00 0.00 H new ATOM 59 N GLY A 7 2.743 -10.959 0.627 1.00 0.00 N ATOM 60 CA GLY A 7 2.349 -9.579 0.414 1.00 0.00 C ATOM 61 C GLY A 7 3.349 -8.814 -0.429 1.00 0.00 C ATOM 62 O GLY A 7 4.395 -9.347 -0.801 1.00 0.00 O ATOM 0 H GLY A 7 3.331 -11.115 1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.374 -9.554 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.237 -9.083 1.378 1.00 0.00 H new ATOM 66 N ASP A 8 3.029 -7.561 -0.732 1.00 0.00 N ATOM 67 CA ASP A 8 3.907 -6.720 -1.538 1.00 0.00 C ATOM 68 C ASP A 8 4.477 -5.575 -0.706 1.00 0.00 C ATOM 69 O ASP A 8 3.736 -4.725 -0.212 1.00 0.00 O ATOM 70 CB ASP A 8 3.150 -6.163 -2.744 1.00 0.00 C ATOM 71 CG ASP A 8 3.030 -7.172 -3.869 1.00 0.00 C ATOM 72 OD1 ASP A 8 4.073 -7.538 -4.451 1.00 0.00 O ATOM 73 OD2 ASP A 8 1.894 -7.597 -4.167 1.00 0.00 O ATOM 0 H ASP A 8 2.168 -7.105 -0.432 1.00 0.00 H new ATOM 0 HA ASP A 8 4.734 -7.335 -1.891 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.153 -5.852 -2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 8 3.662 -5.273 -3.111 1.00 0.00 H new ATOM 78 N TYR A 9 5.796 -5.561 -0.554 1.00 0.00 N ATOM 79 CA TYR A 9 6.465 -4.522 0.221 1.00 0.00 C ATOM 80 C TYR A 9 6.823 -3.330 -0.661 1.00 0.00 C ATOM 81 O TYR A 9 7.010 -3.471 -1.870 1.00 0.00 O ATOM 82 CB TYR A 9 7.728 -5.081 0.879 1.00 0.00 C ATOM 83 CG TYR A 9 7.485 -5.676 2.247 1.00 0.00 C ATOM 84 CD1 TYR A 9 6.381 -6.484 2.489 1.00 0.00 C ATOM 85 CD2 TYR A 9 8.360 -5.430 3.298 1.00 0.00 C ATOM 86 CE1 TYR A 9 6.155 -7.029 3.739 1.00 0.00 C ATOM 87 CE2 TYR A 9 8.142 -5.972 4.551 1.00 0.00 C ATOM 88 CZ TYR A 9 7.038 -6.770 4.766 1.00 0.00 C ATOM 89 OH TYR A 9 6.818 -7.312 6.011 1.00 0.00 O ATOM 0 H TYR A 9 6.424 -6.257 -0.957 1.00 0.00 H new ATOM 0 HA TYR A 9 5.778 -4.184 0.997 1.00 0.00 H new ATOM 0 HB2 TYR A 9 8.158 -5.845 0.231 1.00 0.00 H new ATOM 0 HB3 TYR A 9 8.466 -4.284 0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 9 5.688 -6.690 1.687 1.00 0.00 H new ATOM 0 HD2 TYR A 9 9.225 -4.805 3.133 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.291 -7.654 3.910 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.832 -5.772 5.357 1.00 0.00 H new ATOM 0 HH TYR A 9 7.533 -7.033 6.620 1.00 0.00 H new ATOM 99 N CYS A 10 6.916 -2.156 -0.047 1.00 0.00 N ATOM 100 CA CYS A 10 7.252 -0.937 -0.774 1.00 0.00 C ATOM 101 C CYS A 10 8.053 0.018 0.105 1.00 0.00 C ATOM 102 O CYS A 10 7.676 0.296 1.243 1.00 0.00 O ATOM 103 CB CYS A 10 5.979 -0.247 -1.270 1.00 0.00 C ATOM 104 SG CYS A 10 4.860 -1.333 -2.185 1.00 0.00 S ATOM 0 H CYS A 10 6.763 -2.022 0.953 1.00 0.00 H new ATOM 0 HA CYS A 10 7.865 -1.213 -1.632 1.00 0.00 H new ATOM 0 HB2 CYS A 10 5.446 0.168 -0.414 1.00 0.00 H new ATOM 0 HB3 CYS A 10 6.258 0.591 -1.909 1.00 0.00 H new ATOM 0 HG CYS A 10 5.477 -2.437 -2.487 1.00 0.00 H new ATOM 110 N LYS A 11 9.162 0.517 -0.431 1.00 0.00 N ATOM 111 CA LYS A 11 10.018 1.441 0.304 1.00 0.00 C ATOM 112 C LYS A 11 9.614 2.887 0.036 1.00 0.00 C ATOM 113 O LYS A 11 9.478 3.302 -1.115 1.00 0.00 O ATOM 114 CB LYS A 11 11.483 1.230 -0.085 1.00 0.00 C ATOM 115 CG LYS A 11 12.443 2.165 0.630 1.00 0.00 C ATOM 116 CD LYS A 11 13.889 1.756 0.408 1.00 0.00 C ATOM 117 CE LYS A 11 14.833 2.532 1.313 1.00 0.00 C ATOM 118 NZ LYS A 11 14.869 1.968 2.691 1.00 0.00 N ATOM 0 H LYS A 11 9.489 0.297 -1.372 1.00 0.00 H new ATOM 0 HA LYS A 11 9.898 1.240 1.368 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.763 0.199 0.133 1.00 0.00 H new ATOM 0 HB3 LYS A 11 11.588 1.368 -1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.293 3.184 0.273 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.224 2.166 1.698 1.00 0.00 H new ATOM 0 HD2 LYS A 11 13.999 0.688 0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.160 1.926 -0.634 1.00 0.00 H new ATOM 0 HE2 LYS A 11 15.837 2.518 0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.520 3.575 1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.524 2.525 3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.916 2.005 3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.192 0.980 2.653 1.00 0.00 H new ATOM 132 N VAL A 12 9.424 3.652 1.107 1.00 0.00 N ATOM 133 CA VAL A 12 9.038 5.053 0.987 1.00 0.00 C ATOM 134 C VAL A 12 10.256 5.942 0.763 1.00 0.00 C ATOM 135 O VAL A 12 11.029 6.196 1.687 1.00 0.00 O ATOM 136 CB VAL A 12 8.286 5.538 2.241 1.00 0.00 C ATOM 137 CG1 VAL A 12 7.932 7.011 2.115 1.00 0.00 C ATOM 138 CG2 VAL A 12 7.038 4.699 2.471 1.00 0.00 C ATOM 0 H VAL A 12 9.531 3.325 2.067 1.00 0.00 H new ATOM 0 HA VAL A 12 8.376 5.125 0.124 1.00 0.00 H new ATOM 0 HB VAL A 12 8.940 5.419 3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 12 7.401 7.336 3.010 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.845 7.596 2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.296 7.159 1.242 1.00 0.00 H new ATOM 0 HG21 VAL A 12 6.519 5.055 3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 12 6.378 4.784 1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.321 3.656 2.610 1.00 0.00 H new ATOM 148 N ILE A 13 10.421 6.411 -0.469 1.00 0.00 N ATOM 149 CA ILE A 13 11.545 7.273 -0.814 1.00 0.00 C ATOM 150 C ILE A 13 11.130 8.740 -0.823 1.00 0.00 C ATOM 151 O ILE A 13 11.936 9.626 -0.540 1.00 0.00 O ATOM 152 CB ILE A 13 12.132 6.908 -2.191 1.00 0.00 C ATOM 153 CG1 ILE A 13 11.060 7.031 -3.275 1.00 0.00 C ATOM 154 CG2 ILE A 13 12.708 5.500 -2.165 1.00 0.00 C ATOM 155 CD1 ILE A 13 10.133 5.838 -3.347 1.00 0.00 C ATOM 0 H ILE A 13 9.791 6.209 -1.245 1.00 0.00 H new ATOM 0 HA ILE A 13 12.308 7.119 -0.051 1.00 0.00 H new ATOM 0 HB ILE A 13 12.938 7.605 -2.423 1.00 0.00 H new ATOM 0 HG12 ILE A 13 10.470 7.929 -3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 13 11.546 7.162 -4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 13 13.119 5.257 -3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 13 13.498 5.444 -1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 13 11.920 4.789 -1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.399 5.995 -4.137 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.712 4.940 -3.562 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.619 5.718 -2.393 1.00 0.00 H new ATOM 167 N PHE A 14 9.866 8.990 -1.149 1.00 0.00 N ATOM 168 CA PHE A 14 9.343 10.350 -1.195 1.00 0.00 C ATOM 169 C PHE A 14 8.406 10.612 -0.019 1.00 0.00 C ATOM 170 O PHE A 14 7.505 9.826 0.277 1.00 0.00 O ATOM 171 CB PHE A 14 8.604 10.591 -2.513 1.00 0.00 C ATOM 172 CG PHE A 14 9.516 10.934 -3.657 1.00 0.00 C ATOM 173 CD1 PHE A 14 10.015 12.218 -3.802 1.00 0.00 C ATOM 174 CD2 PHE A 14 9.874 9.971 -4.587 1.00 0.00 C ATOM 175 CE1 PHE A 14 10.854 12.537 -4.853 1.00 0.00 C ATOM 176 CE2 PHE A 14 10.714 10.284 -5.639 1.00 0.00 C ATOM 177 CZ PHE A 14 11.203 11.568 -5.773 1.00 0.00 C ATOM 0 H PHE A 14 9.185 8.268 -1.385 1.00 0.00 H new ATOM 0 HA PHE A 14 10.185 11.039 -1.127 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.033 9.698 -2.769 1.00 0.00 H new ATOM 0 HB3 PHE A 14 7.886 11.400 -2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.745 12.979 -3.085 1.00 0.00 H new ATOM 0 HD2 PHE A 14 9.493 8.965 -4.489 1.00 0.00 H new ATOM 0 HE1 PHE A 14 11.236 13.542 -4.955 1.00 0.00 H new ATOM 0 HE2 PHE A 14 10.988 9.524 -6.356 1.00 0.00 H new ATOM 0 HZ PHE A 14 11.857 11.814 -6.596 1.00 0.00 H new ATOM 187 N PRO A 15 8.623 11.743 0.669 1.00 0.00 N ATOM 188 CA PRO A 15 7.809 12.135 1.824 1.00 0.00 C ATOM 189 C PRO A 15 6.392 12.533 1.425 1.00 0.00 C ATOM 190 O PRO A 15 6.192 13.279 0.466 1.00 0.00 O ATOM 191 CB PRO A 15 8.562 13.339 2.395 1.00 0.00 C ATOM 192 CG PRO A 15 9.314 13.900 1.238 1.00 0.00 C ATOM 193 CD PRO A 15 9.678 12.725 0.373 1.00 0.00 C ATOM 0 HA PRO A 15 7.685 11.317 2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 15 7.874 14.074 2.814 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.236 13.040 3.198 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.705 14.617 0.687 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.206 14.430 1.572 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.692 12.993 -0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.667 12.338 0.617 1.00 0.00 H new ATOM 201 N TYR A 16 5.411 12.032 2.168 1.00 0.00 N ATOM 202 CA TYR A 16 4.012 12.334 1.891 1.00 0.00 C ATOM 203 C TYR A 16 3.205 12.415 3.183 1.00 0.00 C ATOM 204 O TYR A 16 3.310 11.546 4.048 1.00 0.00 O ATOM 205 CB TYR A 16 3.412 11.272 0.968 1.00 0.00 C ATOM 206 CG TYR A 16 1.902 11.317 0.894 1.00 0.00 C ATOM 207 CD1 TYR A 16 1.120 10.806 1.922 1.00 0.00 C ATOM 208 CD2 TYR A 16 1.258 11.873 -0.205 1.00 0.00 C ATOM 209 CE1 TYR A 16 -0.259 10.845 1.857 1.00 0.00 C ATOM 210 CE2 TYR A 16 -0.121 11.917 -0.278 1.00 0.00 C ATOM 211 CZ TYR A 16 -0.875 11.401 0.756 1.00 0.00 C ATOM 212 OH TYR A 16 -2.249 11.443 0.689 1.00 0.00 O ATOM 0 H TYR A 16 5.559 11.415 2.967 1.00 0.00 H new ATOM 0 HA TYR A 16 3.968 13.304 1.395 1.00 0.00 H new ATOM 0 HB2 TYR A 16 3.820 11.401 -0.034 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.721 10.286 1.314 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.599 10.371 2.787 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.846 12.278 -1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.852 10.442 2.665 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -0.606 12.353 -1.139 1.00 0.00 H new ATOM 0 HH TYR A 16 -2.523 11.867 -0.151 1.00 0.00 H new ATOM 222 N GLU A 17 2.401 13.466 3.307 1.00 0.00 N ATOM 223 CA GLU A 17 1.576 13.661 4.493 1.00 0.00 C ATOM 224 C GLU A 17 0.115 13.333 4.201 1.00 0.00 C ATOM 225 O GLU A 17 -0.439 13.764 3.190 1.00 0.00 O ATOM 226 CB GLU A 17 1.696 15.102 4.993 1.00 0.00 C ATOM 227 CG GLU A 17 2.814 15.306 6.002 1.00 0.00 C ATOM 228 CD GLU A 17 2.866 14.206 7.045 1.00 0.00 C ATOM 229 OE1 GLU A 17 1.799 13.648 7.373 1.00 0.00 O ATOM 230 OE2 GLU A 17 3.976 13.904 7.532 1.00 0.00 O ATOM 0 H GLU A 17 2.303 14.195 2.601 1.00 0.00 H new ATOM 0 HA GLU A 17 1.934 12.983 5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.863 15.761 4.141 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.751 15.400 5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.768 15.350 5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.679 16.267 6.499 1.00 0.00 H new ATOM 237 N ALA A 18 -0.503 12.565 5.093 1.00 0.00 N ATOM 238 CA ALA A 18 -1.899 12.180 4.932 1.00 0.00 C ATOM 239 C ALA A 18 -2.829 13.358 5.203 1.00 0.00 C ATOM 240 O ALA A 18 -2.678 14.061 6.202 1.00 0.00 O ATOM 241 CB ALA A 18 -2.235 11.017 5.854 1.00 0.00 C ATOM 0 H ALA A 18 -0.058 12.198 5.934 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.046 11.865 3.899 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.281 10.740 5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.600 10.165 5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.065 11.312 6.889 1.00 0.00 H new ATOM 247 N GLN A 19 -3.789 13.566 4.308 1.00 0.00 N ATOM 248 CA GLN A 19 -4.741 14.661 4.451 1.00 0.00 C ATOM 249 C GLN A 19 -5.840 14.299 5.445 1.00 0.00 C ATOM 250 O GLN A 19 -6.192 15.097 6.313 1.00 0.00 O ATOM 251 CB GLN A 19 -5.358 15.009 3.095 1.00 0.00 C ATOM 252 CG GLN A 19 -6.441 16.073 3.175 1.00 0.00 C ATOM 253 CD GLN A 19 -5.905 17.418 3.624 1.00 0.00 C ATOM 254 OE1 GLN A 19 -5.550 17.600 4.790 1.00 0.00 O ATOM 255 NE2 GLN A 19 -5.843 18.370 2.701 1.00 0.00 N ATOM 0 H GLN A 19 -3.928 12.991 3.477 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.203 15.530 4.831 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.571 15.353 2.424 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -5.780 14.106 2.654 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.911 16.181 2.198 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.216 15.746 3.868 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -6.148 18.176 1.747 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -5.491 19.295 2.946 1.00 0.00 H new ATOM 264 N ASN A 20 -6.378 13.091 5.312 1.00 0.00 N ATOM 265 CA ASN A 20 -7.438 12.624 6.199 1.00 0.00 C ATOM 266 C ASN A 20 -7.145 11.214 6.701 1.00 0.00 C ATOM 267 O ASN A 20 -6.193 10.571 6.257 1.00 0.00 O ATOM 268 CB ASN A 20 -8.785 12.651 5.475 1.00 0.00 C ATOM 269 CG ASN A 20 -9.427 14.025 5.497 1.00 0.00 C ATOM 270 OD1 ASN A 20 -10.121 14.383 6.449 1.00 0.00 O ATOM 271 ND2 ASN A 20 -9.197 14.802 4.445 1.00 0.00 N ATOM 0 H ASN A 20 -6.098 12.418 4.599 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.481 13.294 7.058 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.645 12.335 4.441 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -9.459 11.931 5.940 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -9.602 15.737 4.403 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -8.615 14.464 3.679 1.00 0.00 H new ATOM 278 N ASP A 21 -7.970 10.739 7.628 1.00 0.00 N ATOM 279 CA ASP A 21 -7.801 9.404 8.189 1.00 0.00 C ATOM 280 C ASP A 21 -7.521 8.383 7.090 1.00 0.00 C ATOM 281 O ASP A 21 -6.642 7.533 7.229 1.00 0.00 O ATOM 282 CB ASP A 21 -9.048 8.996 8.975 1.00 0.00 C ATOM 283 CG ASP A 21 -10.290 8.951 8.106 1.00 0.00 C ATOM 284 OD1 ASP A 21 -10.530 7.905 7.468 1.00 0.00 O ATOM 285 OD2 ASP A 21 -11.023 9.962 8.066 1.00 0.00 O ATOM 0 H ASP A 21 -8.762 11.259 8.006 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.946 9.427 8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.887 8.016 9.424 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.205 9.700 9.793 1.00 0.00 H new ATOM 290 N ASP A 22 -8.274 8.474 6.000 1.00 0.00 N ATOM 291 CA ASP A 22 -8.107 7.559 4.877 1.00 0.00 C ATOM 292 C ASP A 22 -6.657 7.535 4.407 1.00 0.00 C ATOM 293 O ASP A 22 -6.051 6.470 4.287 1.00 0.00 O ATOM 294 CB ASP A 22 -9.025 7.962 3.722 1.00 0.00 C ATOM 295 CG ASP A 22 -10.422 7.392 3.865 1.00 0.00 C ATOM 296 OD1 ASP A 22 -11.273 8.056 4.494 1.00 0.00 O ATOM 297 OD2 ASP A 22 -10.665 6.282 3.348 1.00 0.00 O ATOM 0 H ASP A 22 -9.006 9.172 5.870 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.377 6.558 5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.083 9.049 3.671 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.592 7.621 2.782 1.00 0.00 H new ATOM 302 N GLU A 23 -6.106 8.715 4.140 1.00 0.00 N ATOM 303 CA GLU A 23 -4.727 8.828 3.681 1.00 0.00 C ATOM 304 C GLU A 23 -3.753 8.402 4.775 1.00 0.00 C ATOM 305 O GLU A 23 -4.009 8.602 5.963 1.00 0.00 O ATOM 306 CB GLU A 23 -4.427 10.264 3.246 1.00 0.00 C ATOM 307 CG GLU A 23 -5.168 10.687 1.989 1.00 0.00 C ATOM 308 CD GLU A 23 -6.665 10.797 2.203 1.00 0.00 C ATOM 309 OE1 GLU A 23 -7.078 11.267 3.284 1.00 0.00 O ATOM 310 OE2 GLU A 23 -7.424 10.413 1.289 1.00 0.00 O ATOM 0 H GLU A 23 -6.594 9.606 4.234 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.600 8.163 2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -4.689 10.943 4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.355 10.367 3.078 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.782 11.648 1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.970 9.966 1.195 1.00 0.00 H new ATOM 317 N LEU A 24 -2.634 7.814 4.366 1.00 0.00 N ATOM 318 CA LEU A 24 -1.620 7.358 5.311 1.00 0.00 C ATOM 319 C LEU A 24 -0.347 8.189 5.186 1.00 0.00 C ATOM 320 O LEU A 24 0.045 8.584 4.087 1.00 0.00 O ATOM 321 CB LEU A 24 -1.303 5.880 5.075 1.00 0.00 C ATOM 322 CG LEU A 24 -0.081 5.330 5.812 1.00 0.00 C ATOM 323 CD1 LEU A 24 -0.472 4.824 7.191 1.00 0.00 C ATOM 324 CD2 LEU A 24 0.576 4.222 5.002 1.00 0.00 C ATOM 0 H LEU A 24 -2.406 7.642 3.387 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.016 7.482 6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.173 5.291 5.366 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.157 5.726 4.006 1.00 0.00 H new ATOM 0 HG LEU A 24 0.639 6.139 5.935 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.410 4.437 7.700 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.896 5.643 7.772 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.211 4.029 7.091 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.444 3.842 5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.137 3.413 4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.893 4.616 4.036 1.00 0.00 H new ATOM 336 N THR A 25 0.297 8.450 6.319 1.00 0.00 N ATOM 337 CA THR A 25 1.526 9.233 6.337 1.00 0.00 C ATOM 338 C THR A 25 2.743 8.352 6.076 1.00 0.00 C ATOM 339 O THR A 25 2.842 7.243 6.601 1.00 0.00 O ATOM 340 CB THR A 25 1.711 9.958 7.684 1.00 0.00 C ATOM 341 OG1 THR A 25 0.577 10.791 7.952 1.00 0.00 O ATOM 342 CG2 THR A 25 2.976 10.802 7.675 1.00 0.00 C ATOM 0 H THR A 25 -0.013 8.130 7.237 1.00 0.00 H new ATOM 0 HA THR A 25 1.440 9.974 5.543 1.00 0.00 H new ATOM 0 HB THR A 25 1.801 9.205 8.467 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.820 11.730 7.810 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.085 11.304 8.636 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.840 10.161 7.500 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.911 11.547 6.882 1.00 0.00 H new ATOM 350 N ILE A 26 3.666 8.853 5.263 1.00 0.00 N ATOM 351 CA ILE A 26 4.877 8.112 4.934 1.00 0.00 C ATOM 352 C ILE A 26 6.058 9.054 4.723 1.00 0.00 C ATOM 353 O ILE A 26 5.943 10.067 4.034 1.00 0.00 O ATOM 354 CB ILE A 26 4.687 7.255 3.669 1.00 0.00 C ATOM 355 CG1 ILE A 26 4.427 8.149 2.455 1.00 0.00 C ATOM 356 CG2 ILE A 26 3.543 6.271 3.864 1.00 0.00 C ATOM 357 CD1 ILE A 26 4.260 7.380 1.163 1.00 0.00 C ATOM 0 H ILE A 26 3.598 9.769 4.820 1.00 0.00 H new ATOM 0 HA ILE A 26 5.084 7.456 5.780 1.00 0.00 H new ATOM 0 HB ILE A 26 5.601 6.689 3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.529 8.740 2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.254 8.850 2.347 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.420 5.672 2.962 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.766 5.616 4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.622 6.819 4.064 1.00 0.00 H new ATOM 0 HD11 ILE A 26 4.079 8.078 0.345 1.00 0.00 H new ATOM 0 HD12 ILE A 26 5.166 6.810 0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 26 3.414 6.698 1.252 1.00 0.00 H new ATOM 369 N LYS A 27 7.195 8.711 5.320 1.00 0.00 N ATOM 370 CA LYS A 27 8.400 9.523 5.196 1.00 0.00 C ATOM 371 C LYS A 27 9.519 8.736 4.521 1.00 0.00 C ATOM 372 O LYS A 27 9.462 7.510 4.434 1.00 0.00 O ATOM 373 CB LYS A 27 8.859 10.004 6.574 1.00 0.00 C ATOM 374 CG LYS A 27 9.091 8.877 7.566 1.00 0.00 C ATOM 375 CD LYS A 27 8.812 9.322 8.992 1.00 0.00 C ATOM 376 CE LYS A 27 7.373 9.033 9.394 1.00 0.00 C ATOM 377 NZ LYS A 27 6.473 10.182 9.096 1.00 0.00 N ATOM 0 H LYS A 27 7.307 7.876 5.895 1.00 0.00 H new ATOM 0 HA LYS A 27 8.164 10.388 4.576 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.782 10.574 6.462 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.111 10.685 6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.449 8.033 7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.121 8.529 7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.491 8.810 9.674 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.010 10.390 9.087 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.019 8.148 8.866 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.332 8.806 10.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.573 10.059 9.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.925 11.066 9.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.291 10.224 8.073 1.00 0.00 H new ATOM 391 N GLU A 28 10.535 9.450 4.047 1.00 0.00 N ATOM 392 CA GLU A 28 11.667 8.817 3.381 1.00 0.00 C ATOM 393 C GLU A 28 12.417 7.896 4.339 1.00 0.00 C ATOM 394 O GLU A 28 13.022 8.351 5.309 1.00 0.00 O ATOM 395 CB GLU A 28 12.620 9.879 2.826 1.00 0.00 C ATOM 396 CG GLU A 28 13.682 9.317 1.896 1.00 0.00 C ATOM 397 CD GLU A 28 14.891 8.789 2.642 1.00 0.00 C ATOM 398 OE1 GLU A 28 15.723 9.612 3.081 1.00 0.00 O ATOM 399 OE2 GLU A 28 15.007 7.555 2.788 1.00 0.00 O ATOM 0 H GLU A 28 10.597 10.466 4.112 1.00 0.00 H new ATOM 0 HA GLU A 28 11.281 8.218 2.556 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.041 10.631 2.290 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.109 10.387 3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.249 8.514 1.299 1.00 0.00 H new ATOM 0 HG3 GLU A 28 14.000 10.095 1.201 1.00 0.00 H new ATOM 406 N GLY A 29 12.371 6.597 4.059 1.00 0.00 N ATOM 407 CA GLY A 29 13.049 5.632 4.905 1.00 0.00 C ATOM 408 C GLY A 29 12.082 4.797 5.722 1.00 0.00 C ATOM 409 O GLY A 29 12.359 4.464 6.874 1.00 0.00 O ATOM 0 H GLY A 29 11.877 6.196 3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.658 4.974 4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.729 6.156 5.577 1.00 0.00 H new ATOM 413 N ASP A 30 10.944 4.460 5.125 1.00 0.00 N ATOM 414 CA ASP A 30 9.933 3.659 5.805 1.00 0.00 C ATOM 415 C ASP A 30 9.255 2.699 4.832 1.00 0.00 C ATOM 416 O ASP A 30 8.717 3.117 3.806 1.00 0.00 O ATOM 417 CB ASP A 30 8.888 4.566 6.457 1.00 0.00 C ATOM 418 CG ASP A 30 9.418 5.264 7.693 1.00 0.00 C ATOM 419 OD1 ASP A 30 10.533 5.822 7.627 1.00 0.00 O ATOM 420 OD2 ASP A 30 8.718 5.252 8.728 1.00 0.00 O ATOM 0 H ASP A 30 10.699 4.729 4.172 1.00 0.00 H new ATOM 0 HA ASP A 30 10.429 3.073 6.579 1.00 0.00 H new ATOM 0 HB2 ASP A 30 8.558 5.313 5.735 1.00 0.00 H new ATOM 0 HB3 ASP A 30 8.013 3.973 6.725 1.00 0.00 H new ATOM 425 N ILE A 31 9.288 1.412 5.160 1.00 0.00 N ATOM 426 CA ILE A 31 8.677 0.393 4.315 1.00 0.00 C ATOM 427 C ILE A 31 7.233 0.129 4.728 1.00 0.00 C ATOM 428 O ILE A 31 6.939 -0.064 5.908 1.00 0.00 O ATOM 429 CB ILE A 31 9.464 -0.929 4.369 1.00 0.00 C ATOM 430 CG1 ILE A 31 10.856 -0.745 3.761 1.00 0.00 C ATOM 431 CG2 ILE A 31 8.704 -2.029 3.642 1.00 0.00 C ATOM 432 CD1 ILE A 31 11.857 -0.133 4.716 1.00 0.00 C ATOM 0 H ILE A 31 9.731 1.050 6.004 1.00 0.00 H new ATOM 0 HA ILE A 31 8.696 0.777 3.295 1.00 0.00 H new ATOM 0 HB ILE A 31 9.580 -1.223 5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.229 -1.714 3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 31 10.777 -0.113 2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 31 9.274 -2.957 3.689 1.00 0.00 H new ATOM 0 HG22 ILE A 31 7.733 -2.175 4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.560 -1.744 2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 31 12.821 -0.032 4.217 1.00 0.00 H new ATOM 0 HD12 ILE A 31 11.506 0.850 5.030 1.00 0.00 H new ATOM 0 HD13 ILE A 31 11.966 -0.775 5.590 1.00 0.00 H new ATOM 444 N VAL A 32 6.335 0.122 3.748 1.00 0.00 N ATOM 445 CA VAL A 32 4.921 -0.121 4.009 1.00 0.00 C ATOM 446 C VAL A 32 4.445 -1.392 3.315 1.00 0.00 C ATOM 447 O VAL A 32 4.708 -1.603 2.130 1.00 0.00 O ATOM 448 CB VAL A 32 4.053 1.062 3.542 1.00 0.00 C ATOM 449 CG1 VAL A 32 2.583 0.790 3.823 1.00 0.00 C ATOM 450 CG2 VAL A 32 4.503 2.350 4.214 1.00 0.00 C ATOM 0 H VAL A 32 6.561 0.282 2.766 1.00 0.00 H new ATOM 0 HA VAL A 32 4.813 -0.237 5.087 1.00 0.00 H new ATOM 0 HB VAL A 32 4.177 1.178 2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.985 1.637 3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.271 -0.109 3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.438 0.646 4.894 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.879 3.176 3.873 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.410 2.248 5.295 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.543 2.551 3.956 1.00 0.00 H new ATOM 460 N THR A 33 3.740 -2.239 4.060 1.00 0.00 N ATOM 461 CA THR A 33 3.227 -3.490 3.517 1.00 0.00 C ATOM 462 C THR A 33 1.944 -3.261 2.727 1.00 0.00 C ATOM 463 O THR A 33 0.908 -2.909 3.293 1.00 0.00 O ATOM 464 CB THR A 33 2.954 -4.516 4.632 1.00 0.00 C ATOM 465 OG1 THR A 33 4.152 -4.764 5.375 1.00 0.00 O ATOM 466 CG2 THR A 33 2.432 -5.822 4.051 1.00 0.00 C ATOM 0 H THR A 33 3.512 -2.080 5.041 1.00 0.00 H new ATOM 0 HA THR A 33 3.995 -3.884 2.851 1.00 0.00 H new ATOM 0 HB THR A 33 2.195 -4.103 5.296 1.00 0.00 H new ATOM 0 HG1 THR A 33 4.709 -5.409 4.892 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.247 -6.531 4.858 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.503 -5.635 3.512 1.00 0.00 H new ATOM 0 HG23 THR A 33 3.172 -6.237 3.366 1.00 0.00 H new ATOM 474 N LEU A 34 2.018 -3.464 1.416 1.00 0.00 N ATOM 475 CA LEU A 34 0.860 -3.280 0.547 1.00 0.00 C ATOM 476 C LEU A 34 -0.279 -4.210 0.953 1.00 0.00 C ATOM 477 O LEU A 34 -0.187 -5.427 0.791 1.00 0.00 O ATOM 478 CB LEU A 34 1.247 -3.536 -0.911 1.00 0.00 C ATOM 479 CG LEU A 34 0.455 -2.756 -1.962 1.00 0.00 C ATOM 480 CD1 LEU A 34 0.728 -1.265 -1.838 1.00 0.00 C ATOM 481 CD2 LEU A 34 0.797 -3.249 -3.361 1.00 0.00 C ATOM 0 H LEU A 34 2.867 -3.756 0.932 1.00 0.00 H new ATOM 0 HA LEU A 34 0.518 -2.250 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.304 -3.300 -1.032 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.133 -4.601 -1.115 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.608 -2.925 -1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.156 -0.726 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.432 -0.922 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.791 -1.076 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.225 -2.683 -4.096 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.862 -3.110 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.549 -4.307 -3.445 1.00 0.00 H new ATOM 493 N ILE A 35 -1.351 -3.628 1.479 1.00 0.00 N ATOM 494 CA ILE A 35 -2.509 -4.404 1.906 1.00 0.00 C ATOM 495 C ILE A 35 -3.353 -4.834 0.710 1.00 0.00 C ATOM 496 O ILE A 35 -3.536 -6.025 0.464 1.00 0.00 O ATOM 497 CB ILE A 35 -3.393 -3.606 2.883 1.00 0.00 C ATOM 498 CG1 ILE A 35 -2.590 -3.213 4.125 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.618 -4.419 3.273 1.00 0.00 C ATOM 500 CD1 ILE A 35 -1.998 -4.394 4.861 1.00 0.00 C ATOM 0 H ILE A 35 -1.442 -2.622 1.620 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.126 -5.288 2.415 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.729 -2.695 2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.786 -2.539 3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.237 -2.658 4.805 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.233 -3.842 3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.198 -4.654 2.381 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.302 -5.344 3.755 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.443 -4.040 5.730 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.799 -5.058 5.188 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -1.325 -4.937 4.197 1.00 0.00 H new ATOM 512 N ASN A 36 -3.863 -3.855 -0.030 1.00 0.00 N ATOM 513 CA ASN A 36 -4.686 -4.132 -1.201 1.00 0.00 C ATOM 514 C ASN A 36 -4.294 -3.230 -2.368 1.00 0.00 C ATOM 515 O ASN A 36 -3.902 -2.079 -2.173 1.00 0.00 O ATOM 516 CB ASN A 36 -6.167 -3.937 -0.867 1.00 0.00 C ATOM 517 CG ASN A 36 -6.780 -5.165 -0.222 1.00 0.00 C ATOM 518 OD1 ASN A 36 -6.087 -6.144 0.059 1.00 0.00 O ATOM 519 ND2 ASN A 36 -8.085 -5.119 0.017 1.00 0.00 N ATOM 0 H ASN A 36 -3.721 -2.863 0.161 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.519 -5.169 -1.494 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.276 -3.085 -0.196 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -6.714 -3.697 -1.779 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.553 -5.915 0.450 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.620 -4.287 -0.232 1.00 0.00 H new ATOM 526 N LYS A 37 -4.404 -3.760 -3.581 1.00 0.00 N ATOM 527 CA LYS A 37 -4.063 -3.004 -4.780 1.00 0.00 C ATOM 528 C LYS A 37 -5.165 -2.007 -5.126 1.00 0.00 C ATOM 529 O LYS A 37 -6.279 -2.096 -4.611 1.00 0.00 O ATOM 530 CB LYS A 37 -3.831 -3.953 -5.958 1.00 0.00 C ATOM 531 CG LYS A 37 -2.571 -4.790 -5.825 1.00 0.00 C ATOM 532 CD LYS A 37 -2.105 -5.314 -7.174 1.00 0.00 C ATOM 533 CE LYS A 37 -0.754 -6.003 -7.067 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.426 -6.775 -8.297 1.00 0.00 N ATOM 0 H LYS A 37 -4.727 -4.711 -3.760 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.145 -2.450 -4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.690 -4.617 -6.053 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -3.775 -3.370 -6.878 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -1.781 -4.190 -5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.759 -5.628 -5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.842 -6.014 -7.568 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.039 -4.489 -7.883 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.021 -5.257 -6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.755 -6.673 -6.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.503 -7.230 -8.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.152 -7.504 -8.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.400 -6.132 -9.114 1.00 0.00 H new ATOM 548 N ASP A 38 -4.846 -1.060 -6.002 1.00 0.00 N ATOM 549 CA ASP A 38 -5.810 -0.048 -6.419 1.00 0.00 C ATOM 550 C ASP A 38 -6.438 -0.416 -7.760 1.00 0.00 C ATOM 551 O ASP A 38 -5.904 -1.243 -8.501 1.00 0.00 O ATOM 552 CB ASP A 38 -5.134 1.320 -6.516 1.00 0.00 C ATOM 553 CG ASP A 38 -6.088 2.405 -6.977 1.00 0.00 C ATOM 554 OD1 ASP A 38 -6.804 2.968 -6.123 1.00 0.00 O ATOM 555 OD2 ASP A 38 -6.117 2.691 -8.192 1.00 0.00 O ATOM 0 H ASP A 38 -3.928 -0.972 -6.437 1.00 0.00 H new ATOM 0 HA ASP A 38 -6.600 -0.002 -5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.724 1.590 -5.543 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.295 1.259 -7.209 1.00 0.00 H new ATOM 560 N CYS A 39 -7.573 0.203 -8.064 1.00 0.00 N ATOM 561 CA CYS A 39 -8.276 -0.061 -9.315 1.00 0.00 C ATOM 562 C CYS A 39 -7.336 0.085 -10.508 1.00 0.00 C ATOM 563 O CYS A 39 -6.261 0.676 -10.395 1.00 0.00 O ATOM 564 CB CYS A 39 -9.463 0.890 -9.468 1.00 0.00 C ATOM 565 SG CYS A 39 -10.940 0.379 -8.557 1.00 0.00 S ATOM 0 H CYS A 39 -8.026 0.891 -7.462 1.00 0.00 H new ATOM 0 HA CYS A 39 -8.643 -1.087 -9.287 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -9.166 1.883 -9.130 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -9.713 0.975 -10.526 1.00 0.00 H new ATOM 0 HG CYS A 39 -11.889 1.247 -8.747 1.00 0.00 H new ATOM 571 N ILE A 40 -7.747 -0.458 -11.648 1.00 0.00 N ATOM 572 CA ILE A 40 -6.941 -0.389 -12.861 1.00 0.00 C ATOM 573 C ILE A 40 -6.144 0.910 -12.918 1.00 0.00 C ATOM 574 O ILE A 40 -5.049 0.954 -13.479 1.00 0.00 O ATOM 575 CB ILE A 40 -7.815 -0.497 -14.125 1.00 0.00 C ATOM 576 CG1 ILE A 40 -8.590 -1.816 -14.124 1.00 0.00 C ATOM 577 CG2 ILE A 40 -6.955 -0.383 -15.375 1.00 0.00 C ATOM 578 CD1 ILE A 40 -7.703 -3.038 -14.215 1.00 0.00 C ATOM 0 H ILE A 40 -8.633 -0.951 -11.758 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.253 -1.234 -12.831 1.00 0.00 H new ATOM 0 HB ILE A 40 -8.532 0.324 -14.125 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.186 -1.877 -13.214 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.287 -1.819 -14.962 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.587 -0.461 -16.260 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.444 0.580 -15.378 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.218 -1.186 -15.384 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.320 -3.937 -14.209 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.125 -3.000 -15.139 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.024 -3.059 -13.363 1.00 0.00 H new ATOM 590 N ASP A 41 -6.699 1.965 -12.331 1.00 0.00 N ATOM 591 CA ASP A 41 -6.039 3.265 -12.312 1.00 0.00 C ATOM 592 C ASP A 41 -4.805 3.235 -11.416 1.00 0.00 C ATOM 593 O ASP A 41 -4.888 2.880 -10.239 1.00 0.00 O ATOM 594 CB ASP A 41 -7.008 4.346 -11.831 1.00 0.00 C ATOM 595 CG ASP A 41 -8.218 4.483 -12.735 1.00 0.00 C ATOM 596 OD1 ASP A 41 -8.829 3.446 -13.070 1.00 0.00 O ATOM 597 OD2 ASP A 41 -8.555 5.627 -13.105 1.00 0.00 O ATOM 0 H ASP A 41 -7.605 1.945 -11.862 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.722 3.499 -13.328 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.339 4.109 -10.820 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.486 5.301 -11.780 1.00 0.00 H new ATOM 602 N VAL A 42 -3.661 3.608 -11.979 1.00 0.00 N ATOM 603 CA VAL A 42 -2.409 3.623 -11.231 1.00 0.00 C ATOM 604 C VAL A 42 -2.200 4.965 -10.538 1.00 0.00 C ATOM 605 O VAL A 42 -2.722 5.990 -10.976 1.00 0.00 O ATOM 606 CB VAL A 42 -1.204 3.338 -12.147 1.00 0.00 C ATOM 607 CG1 VAL A 42 0.091 3.373 -11.351 1.00 0.00 C ATOM 608 CG2 VAL A 42 -1.374 1.998 -12.847 1.00 0.00 C ATOM 0 H VAL A 42 -3.575 3.904 -12.951 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.479 2.836 -10.480 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.155 4.116 -12.908 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.932 3.169 -12.014 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.215 4.358 -10.900 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.057 2.617 -10.567 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.514 1.812 -13.490 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.448 1.205 -12.102 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.282 2.015 -13.450 1.00 0.00 H new ATOM 618 N GLY A 43 -1.433 4.951 -9.453 1.00 0.00 N ATOM 619 CA GLY A 43 -1.167 6.173 -8.716 1.00 0.00 C ATOM 620 C GLY A 43 -1.681 6.114 -7.291 1.00 0.00 C ATOM 621 O GLY A 43 -1.296 6.928 -6.452 1.00 0.00 O ATOM 0 H GLY A 43 -0.991 4.115 -9.071 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.093 6.360 -8.704 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -1.631 7.013 -9.232 1.00 0.00 H new ATOM 625 N TRP A 44 -2.553 5.150 -7.018 1.00 0.00 N ATOM 626 CA TRP A 44 -3.121 4.990 -5.684 1.00 0.00 C ATOM 627 C TRP A 44 -2.877 3.581 -5.155 1.00 0.00 C ATOM 628 O TRP A 44 -2.862 2.615 -5.918 1.00 0.00 O ATOM 629 CB TRP A 44 -4.621 5.286 -5.708 1.00 0.00 C ATOM 630 CG TRP A 44 -4.952 6.632 -6.279 1.00 0.00 C ATOM 631 CD1 TRP A 44 -5.414 6.898 -7.536 1.00 0.00 C ATOM 632 CD2 TRP A 44 -4.843 7.895 -5.614 1.00 0.00 C ATOM 633 NE1 TRP A 44 -5.599 8.251 -7.693 1.00 0.00 N ATOM 634 CE2 TRP A 44 -5.257 8.884 -6.527 1.00 0.00 C ATOM 635 CE3 TRP A 44 -4.439 8.287 -4.335 1.00 0.00 C ATOM 636 CZ2 TRP A 44 -5.276 10.238 -6.201 1.00 0.00 C ATOM 637 CZ3 TRP A 44 -4.458 9.631 -4.013 1.00 0.00 C ATOM 638 CH2 TRP A 44 -4.875 10.593 -4.942 1.00 0.00 C ATOM 0 H TRP A 44 -2.882 4.468 -7.702 1.00 0.00 H new ATOM 0 HA TRP A 44 -2.628 5.699 -5.018 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.126 4.517 -6.292 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.013 5.224 -4.693 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.606 6.154 -8.295 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.936 8.709 -8.540 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -4.118 7.553 -3.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -5.596 10.981 -6.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.146 9.945 -3.028 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -4.880 11.635 -4.659 1.00 0.00 H new ATOM 649 N TRP A 45 -2.688 3.471 -3.845 1.00 0.00 N ATOM 650 CA TRP A 45 -2.445 2.178 -3.214 1.00 0.00 C ATOM 651 C TRP A 45 -2.682 2.254 -1.710 1.00 0.00 C ATOM 652 O TRP A 45 -2.539 3.315 -1.103 1.00 0.00 O ATOM 653 CB TRP A 45 -1.017 1.711 -3.495 1.00 0.00 C ATOM 654 CG TRP A 45 -0.870 1.004 -4.808 1.00 0.00 C ATOM 655 CD1 TRP A 45 -1.858 0.385 -5.521 1.00 0.00 C ATOM 656 CD2 TRP A 45 0.335 0.841 -5.564 1.00 0.00 C ATOM 657 NE1 TRP A 45 -1.339 -0.152 -6.674 1.00 0.00 N ATOM 658 CE2 TRP A 45 0.003 0.114 -6.725 1.00 0.00 C ATOM 659 CE3 TRP A 45 1.660 1.239 -5.375 1.00 0.00 C ATOM 660 CZ2 TRP A 45 0.950 -0.221 -7.689 1.00 0.00 C ATOM 661 CZ3 TRP A 45 2.599 0.905 -6.332 1.00 0.00 C ATOM 662 CH2 TRP A 45 2.241 0.182 -7.478 1.00 0.00 C ATOM 0 H TRP A 45 -2.698 4.260 -3.199 1.00 0.00 H new ATOM 0 HA TRP A 45 -3.145 1.457 -3.637 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.351 2.573 -3.478 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.696 1.045 -2.694 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -2.894 0.327 -5.222 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.868 -0.666 -7.378 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.946 1.798 -4.496 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.676 -0.779 -8.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 3.627 1.206 -6.194 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.998 -0.062 -8.209 1.00 0.00 H new ATOM 673 N GLU A 46 -3.045 1.122 -1.114 1.00 0.00 N ATOM 674 CA GLU A 46 -3.301 1.062 0.320 1.00 0.00 C ATOM 675 C GLU A 46 -2.276 0.175 1.020 1.00 0.00 C ATOM 676 O GLU A 46 -1.938 -0.904 0.535 1.00 0.00 O ATOM 677 CB GLU A 46 -4.713 0.536 0.586 1.00 0.00 C ATOM 678 CG GLU A 46 -5.334 1.078 1.862 1.00 0.00 C ATOM 679 CD GLU A 46 -6.849 1.114 1.804 1.00 0.00 C ATOM 680 OE1 GLU A 46 -7.396 1.377 0.713 1.00 0.00 O ATOM 681 OE2 GLU A 46 -7.488 0.878 2.851 1.00 0.00 O ATOM 0 H GLU A 46 -3.168 0.235 -1.602 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.215 2.072 0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.353 0.795 -0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.682 -0.552 0.641 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.021 0.461 2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.957 2.084 2.046 1.00 0.00 H new ATOM 688 N GLY A 47 -1.782 0.640 2.164 1.00 0.00 N ATOM 689 CA GLY A 47 -0.800 -0.122 2.912 1.00 0.00 C ATOM 690 C GLY A 47 -0.929 0.077 4.409 1.00 0.00 C ATOM 691 O GLY A 47 -1.632 0.980 4.863 1.00 0.00 O ATOM 0 H GLY A 47 -2.045 1.531 2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.912 -1.181 2.678 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.201 0.171 2.595 1.00 0.00 H new ATOM 695 N GLU A 48 -0.252 -0.770 5.178 1.00 0.00 N ATOM 696 CA GLU A 48 -0.297 -0.684 6.633 1.00 0.00 C ATOM 697 C GLU A 48 1.025 -0.164 7.189 1.00 0.00 C ATOM 698 O GLU A 48 2.094 -0.690 6.874 1.00 0.00 O ATOM 699 CB GLU A 48 -0.614 -2.053 7.238 1.00 0.00 C ATOM 700 CG GLU A 48 -1.289 -1.977 8.597 1.00 0.00 C ATOM 701 CD GLU A 48 -0.293 -1.888 9.738 1.00 0.00 C ATOM 702 OE1 GLU A 48 0.813 -1.350 9.520 1.00 0.00 O ATOM 703 OE2 GLU A 48 -0.621 -2.355 10.848 1.00 0.00 O ATOM 0 H GLU A 48 0.334 -1.523 4.818 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.086 0.017 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.258 -2.603 6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.311 -2.622 7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.946 -1.108 8.624 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.918 -2.856 8.736 1.00 0.00 H new ATOM 710 N LEU A 49 0.946 0.872 8.016 1.00 0.00 N ATOM 711 CA LEU A 49 2.136 1.465 8.617 1.00 0.00 C ATOM 712 C LEU A 49 1.853 1.932 10.041 1.00 0.00 C ATOM 713 O LEU A 49 0.941 2.724 10.275 1.00 0.00 O ATOM 714 CB LEU A 49 2.627 2.640 7.770 1.00 0.00 C ATOM 715 CG LEU A 49 3.786 3.450 8.354 1.00 0.00 C ATOM 716 CD1 LEU A 49 5.119 2.834 7.960 1.00 0.00 C ATOM 717 CD2 LEU A 49 3.709 4.898 7.893 1.00 0.00 C ATOM 0 H LEU A 49 0.070 1.319 8.286 1.00 0.00 H new ATOM 0 HA LEU A 49 2.913 0.702 8.654 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.932 2.258 6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.788 3.315 7.599 1.00 0.00 H new ATOM 0 HG LEU A 49 3.707 3.430 9.441 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.932 3.423 8.384 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.174 1.814 8.339 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.208 2.823 6.874 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.541 5.460 8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.763 4.937 6.805 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.768 5.336 8.226 1.00 0.00 H new ATOM 729 N ASN A 50 2.642 1.437 10.989 1.00 0.00 N ATOM 730 CA ASN A 50 2.477 1.806 12.390 1.00 0.00 C ATOM 731 C ASN A 50 1.049 1.543 12.857 1.00 0.00 C ATOM 732 O ASN A 50 0.448 2.367 13.545 1.00 0.00 O ATOM 733 CB ASN A 50 2.830 3.280 12.596 1.00 0.00 C ATOM 734 CG ASN A 50 4.316 3.495 12.809 1.00 0.00 C ATOM 735 OD1 ASN A 50 4.884 3.042 13.802 1.00 0.00 O ATOM 736 ND2 ASN A 50 4.953 4.190 11.874 1.00 0.00 N ATOM 0 H ASN A 50 3.402 0.780 10.813 1.00 0.00 H new ATOM 0 HA ASN A 50 3.153 1.191 12.984 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.503 3.854 11.728 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.283 3.665 13.457 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.954 4.367 11.963 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.442 4.547 11.067 1.00 0.00 H new ATOM 743 N GLY A 51 0.511 0.387 12.478 1.00 0.00 N ATOM 744 CA GLY A 51 -0.842 0.035 12.868 1.00 0.00 C ATOM 745 C GLY A 51 -1.874 0.989 12.301 1.00 0.00 C ATOM 746 O GLY A 51 -2.814 1.380 12.993 1.00 0.00 O ATOM 0 H GLY A 51 0.988 -0.312 11.908 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.063 -0.977 12.530 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.914 0.031 13.956 1.00 0.00 H new ATOM 750 N ARG A 52 -1.700 1.364 11.038 1.00 0.00 N ATOM 751 CA ARG A 52 -2.623 2.281 10.379 1.00 0.00 C ATOM 752 C ARG A 52 -2.862 1.864 8.931 1.00 0.00 C ATOM 753 O ARG A 52 -1.917 1.596 8.188 1.00 0.00 O ATOM 754 CB ARG A 52 -2.079 3.709 10.427 1.00 0.00 C ATOM 755 CG ARG A 52 -1.936 4.260 11.836 1.00 0.00 C ATOM 756 CD ARG A 52 -1.798 5.774 11.832 1.00 0.00 C ATOM 757 NE ARG A 52 -3.091 6.441 11.703 1.00 0.00 N ATOM 758 CZ ARG A 52 -3.297 7.713 12.024 1.00 0.00 C ATOM 759 NH1 ARG A 52 -2.300 8.452 12.491 1.00 0.00 N ATOM 760 NH2 ARG A 52 -4.503 8.249 11.879 1.00 0.00 N ATOM 0 H ARG A 52 -0.929 1.047 10.451 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.574 2.244 10.911 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.106 3.735 9.936 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.741 4.360 9.857 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.805 3.975 12.429 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.063 3.816 12.315 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.314 6.096 12.754 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.150 6.077 11.009 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.879 5.900 11.347 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -1.372 8.044 12.604 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.461 9.429 12.737 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.273 7.684 11.521 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.660 9.226 12.126 1.00 0.00 H new ATOM 774 N ARG A 53 -4.130 1.811 8.537 1.00 0.00 N ATOM 775 CA ARG A 53 -4.492 1.426 7.178 1.00 0.00 C ATOM 776 C ARG A 53 -5.074 2.611 6.413 1.00 0.00 C ATOM 777 O ARG A 53 -6.176 3.072 6.707 1.00 0.00 O ATOM 778 CB ARG A 53 -5.502 0.276 7.204 1.00 0.00 C ATOM 779 CG ARG A 53 -4.866 -1.089 7.407 1.00 0.00 C ATOM 780 CD ARG A 53 -5.879 -2.208 7.227 1.00 0.00 C ATOM 781 NE ARG A 53 -5.250 -3.526 7.254 1.00 0.00 N ATOM 782 CZ ARG A 53 -5.907 -4.659 7.033 1.00 0.00 C ATOM 783 NH1 ARG A 53 -7.206 -4.635 6.768 1.00 0.00 N ATOM 784 NH2 ARG A 53 -5.264 -5.819 7.075 1.00 0.00 N ATOM 0 H ARG A 53 -4.924 2.030 9.139 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.587 1.096 6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.222 0.454 8.003 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.059 0.272 6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.048 -1.220 6.698 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.434 -1.145 8.406 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.629 -2.148 8.016 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.401 -2.075 6.280 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.251 -3.579 7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.703 -3.745 6.733 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.708 -5.507 6.599 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.264 -5.841 7.277 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.769 -6.689 6.905 1.00 0.00 H new ATOM 798 N GLY A 54 -4.324 3.101 5.431 1.00 0.00 N ATOM 799 CA GLY A 54 -4.781 4.228 4.640 1.00 0.00 C ATOM 800 C GLY A 54 -4.213 4.219 3.235 1.00 0.00 C ATOM 801 O GLY A 54 -3.235 3.524 2.957 1.00 0.00 O ATOM 0 H GLY A 54 -3.408 2.737 5.169 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.870 4.214 4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.497 5.156 5.137 1.00 0.00 H new ATOM 805 N VAL A 55 -4.826 4.993 2.345 1.00 0.00 N ATOM 806 CA VAL A 55 -4.376 5.071 0.960 1.00 0.00 C ATOM 807 C VAL A 55 -3.194 6.024 0.820 1.00 0.00 C ATOM 808 O VAL A 55 -2.979 6.892 1.666 1.00 0.00 O ATOM 809 CB VAL A 55 -5.509 5.535 0.026 1.00 0.00 C ATOM 810 CG1 VAL A 55 -6.651 4.530 0.031 1.00 0.00 C ATOM 811 CG2 VAL A 55 -6.002 6.916 0.433 1.00 0.00 C ATOM 0 H VAL A 55 -5.636 5.575 2.558 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.066 4.067 0.671 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.117 5.598 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.442 4.875 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.285 3.562 -0.311 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.045 4.432 1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.803 7.229 -0.237 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.378 6.881 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.179 7.628 0.373 1.00 0.00 H new ATOM 821 N PHE A 56 -2.430 5.856 -0.254 1.00 0.00 N ATOM 822 CA PHE A 56 -1.269 6.702 -0.506 1.00 0.00 C ATOM 823 C PHE A 56 -0.908 6.703 -1.989 1.00 0.00 C ATOM 824 O PHE A 56 -1.179 5.751 -2.720 1.00 0.00 O ATOM 825 CB PHE A 56 -0.074 6.222 0.320 1.00 0.00 C ATOM 826 CG PHE A 56 0.378 4.832 -0.029 1.00 0.00 C ATOM 827 CD1 PHE A 56 0.944 4.564 -1.265 1.00 0.00 C ATOM 828 CD2 PHE A 56 0.235 3.795 0.878 1.00 0.00 C ATOM 829 CE1 PHE A 56 1.361 3.287 -1.590 1.00 0.00 C ATOM 830 CE2 PHE A 56 0.651 2.516 0.559 1.00 0.00 C ATOM 831 CZ PHE A 56 1.213 2.261 -0.677 1.00 0.00 C ATOM 0 H PHE A 56 -2.594 5.142 -0.964 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.522 7.720 -0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.757 6.912 0.176 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.337 6.255 1.377 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.061 5.362 -1.983 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.206 3.988 1.845 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.802 3.092 -2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.537 1.716 1.276 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.536 1.262 -0.929 1.00 0.00 H new ATOM 841 N PRO A 57 -0.283 7.799 -2.444 1.00 0.00 N ATOM 842 CA PRO A 57 0.128 7.953 -3.843 1.00 0.00 C ATOM 843 C PRO A 57 1.278 7.023 -4.214 1.00 0.00 C ATOM 844 O PRO A 57 2.405 7.197 -3.750 1.00 0.00 O ATOM 845 CB PRO A 57 0.575 9.414 -3.923 1.00 0.00 C ATOM 846 CG PRO A 57 0.976 9.765 -2.531 1.00 0.00 C ATOM 847 CD PRO A 57 0.071 8.973 -1.628 1.00 0.00 C ATOM 0 HA PRO A 57 -0.676 7.701 -4.534 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.407 9.536 -4.617 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.232 10.056 -4.276 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.022 9.516 -2.351 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.868 10.835 -2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 57 0.576 8.684 -0.706 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.812 9.545 -1.342 1.00 0.00 H new ATOM 855 N ASP A 58 0.987 6.036 -5.054 1.00 0.00 N ATOM 856 CA ASP A 58 1.998 5.079 -5.489 1.00 0.00 C ATOM 857 C ASP A 58 3.242 5.798 -6.000 1.00 0.00 C ATOM 858 O ASP A 58 4.362 5.479 -5.602 1.00 0.00 O ATOM 859 CB ASP A 58 1.433 4.171 -6.583 1.00 0.00 C ATOM 860 CG ASP A 58 2.514 3.620 -7.492 1.00 0.00 C ATOM 861 OD1 ASP A 58 3.660 3.457 -7.022 1.00 0.00 O ATOM 862 OD2 ASP A 58 2.214 3.351 -8.674 1.00 0.00 O ATOM 0 H ASP A 58 0.059 5.877 -5.447 1.00 0.00 H new ATOM 0 HA ASP A 58 2.280 4.469 -4.631 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.893 3.344 -6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.711 4.730 -7.179 1.00 0.00 H new ATOM 867 N ASN A 59 3.038 6.769 -6.884 1.00 0.00 N ATOM 868 CA ASN A 59 4.144 7.532 -7.450 1.00 0.00 C ATOM 869 C ASN A 59 5.168 7.885 -6.376 1.00 0.00 C ATOM 870 O ASN A 59 6.375 7.786 -6.597 1.00 0.00 O ATOM 871 CB ASN A 59 3.623 8.809 -8.114 1.00 0.00 C ATOM 872 CG ASN A 59 4.678 9.491 -8.963 1.00 0.00 C ATOM 873 OD1 ASN A 59 5.877 9.334 -8.729 1.00 0.00 O ATOM 874 ND2 ASN A 59 4.236 10.253 -9.956 1.00 0.00 N ATOM 0 H ASN A 59 2.117 7.046 -7.224 1.00 0.00 H new ATOM 0 HA ASN A 59 4.632 6.913 -8.202 1.00 0.00 H new ATOM 0 HB2 ASN A 59 2.761 8.566 -8.736 1.00 0.00 H new ATOM 0 HB3 ASN A 59 3.277 9.500 -7.345 1.00 0.00 H new ATOM 0 HD21 ASN A 59 4.899 10.737 -10.562 1.00 0.00 H new ATOM 0 HD22 ASN A 59 3.233 10.355 -10.113 1.00 0.00 H new ATOM 881 N PHE A 60 4.677 8.297 -5.212 1.00 0.00 N ATOM 882 CA PHE A 60 5.549 8.665 -4.102 1.00 0.00 C ATOM 883 C PHE A 60 6.379 7.470 -3.643 1.00 0.00 C ATOM 884 O PHE A 60 7.542 7.615 -3.266 1.00 0.00 O ATOM 885 CB PHE A 60 4.722 9.205 -2.934 1.00 0.00 C ATOM 886 CG PHE A 60 4.444 10.678 -3.027 1.00 0.00 C ATOM 887 CD1 PHE A 60 3.674 11.187 -4.061 1.00 0.00 C ATOM 888 CD2 PHE A 60 4.950 11.554 -2.080 1.00 0.00 C ATOM 889 CE1 PHE A 60 3.417 12.542 -4.149 1.00 0.00 C ATOM 890 CE2 PHE A 60 4.696 12.910 -2.163 1.00 0.00 C ATOM 891 CZ PHE A 60 3.927 13.404 -3.199 1.00 0.00 C ATOM 0 H PHE A 60 3.681 8.385 -5.013 1.00 0.00 H new ATOM 0 HA PHE A 60 6.228 9.444 -4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.775 8.667 -2.890 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.248 9.001 -2.002 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.270 10.517 -4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.550 11.172 -1.267 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.817 12.926 -4.961 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.098 13.582 -1.419 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.725 14.463 -3.266 1.00 0.00 H new ATOM 901 N VAL A 61 5.773 6.288 -3.677 1.00 0.00 N ATOM 902 CA VAL A 61 6.455 5.066 -3.265 1.00 0.00 C ATOM 903 C VAL A 61 6.874 4.237 -4.473 1.00 0.00 C ATOM 904 O VAL A 61 6.595 4.599 -5.617 1.00 0.00 O ATOM 905 CB VAL A 61 5.563 4.207 -2.350 1.00 0.00 C ATOM 906 CG1 VAL A 61 5.209 4.967 -1.081 1.00 0.00 C ATOM 907 CG2 VAL A 61 4.306 3.772 -3.088 1.00 0.00 C ATOM 0 H VAL A 61 4.811 6.150 -3.986 1.00 0.00 H new ATOM 0 HA VAL A 61 7.343 5.370 -2.711 1.00 0.00 H new ATOM 0 HB VAL A 61 6.119 3.313 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.578 4.343 -0.447 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.122 5.224 -0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.673 5.880 -1.341 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.687 3.166 -2.427 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.746 4.652 -3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.583 3.186 -3.964 1.00 0.00 H new ATOM 917 N LYS A 62 7.545 3.120 -4.213 1.00 0.00 N ATOM 918 CA LYS A 62 8.002 2.236 -5.279 1.00 0.00 C ATOM 919 C LYS A 62 7.884 0.774 -4.860 1.00 0.00 C ATOM 920 O LYS A 62 7.857 0.458 -3.670 1.00 0.00 O ATOM 921 CB LYS A 62 9.453 2.556 -5.648 1.00 0.00 C ATOM 922 CG LYS A 62 9.587 3.660 -6.682 1.00 0.00 C ATOM 923 CD LYS A 62 10.850 3.497 -7.511 1.00 0.00 C ATOM 924 CE LYS A 62 10.964 4.581 -8.572 1.00 0.00 C ATOM 925 NZ LYS A 62 10.129 4.277 -9.768 1.00 0.00 N ATOM 0 H LYS A 62 7.785 2.805 -3.273 1.00 0.00 H new ATOM 0 HA LYS A 62 7.367 2.399 -6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.993 2.846 -4.747 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.930 1.653 -6.029 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.717 3.653 -7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.601 4.628 -6.182 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.722 3.532 -6.858 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.849 2.517 -7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.657 5.537 -8.148 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.006 4.686 -8.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.234 5.039 -10.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.438 3.377 -10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.131 4.202 -9.485 1.00 0.00 H new ATOM 939 N LEU A 63 7.816 -0.115 -5.845 1.00 0.00 N ATOM 940 CA LEU A 63 7.702 -1.545 -5.580 1.00 0.00 C ATOM 941 C LEU A 63 9.081 -2.188 -5.461 1.00 0.00 C ATOM 942 O LEU A 63 9.888 -2.128 -6.389 1.00 0.00 O ATOM 943 CB LEU A 63 6.902 -2.228 -6.690 1.00 0.00 C ATOM 944 CG LEU A 63 5.390 -2.302 -6.479 1.00 0.00 C ATOM 945 CD1 LEU A 63 5.048 -3.347 -5.427 1.00 0.00 C ATOM 946 CD2 LEU A 63 4.839 -0.941 -6.080 1.00 0.00 C ATOM 0 H LEU A 63 7.838 0.129 -6.835 1.00 0.00 H new ATOM 0 HA LEU A 63 7.178 -1.673 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.093 -1.701 -7.625 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.282 -3.242 -6.813 1.00 0.00 H new ATOM 0 HG LEU A 63 4.926 -2.598 -7.420 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.967 -3.385 -5.290 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.407 -4.323 -5.753 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.524 -3.082 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.761 -1.013 -5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.310 -0.616 -5.152 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.051 -0.218 -6.867 1.00 0.00 H new ATOM 958 N LEU A 64 9.343 -2.804 -4.313 1.00 0.00 N ATOM 959 CA LEU A 64 10.623 -3.461 -4.073 1.00 0.00 C ATOM 960 C LEU A 64 10.656 -4.842 -4.721 1.00 0.00 C ATOM 961 O LEU A 64 9.630 -5.353 -5.169 1.00 0.00 O ATOM 962 CB LEU A 64 10.882 -3.583 -2.571 1.00 0.00 C ATOM 963 CG LEU A 64 10.842 -2.279 -1.774 1.00 0.00 C ATOM 964 CD1 LEU A 64 10.953 -2.560 -0.284 1.00 0.00 C ATOM 965 CD2 LEU A 64 11.953 -1.343 -2.227 1.00 0.00 C ATOM 0 H LEU A 64 8.686 -2.862 -3.535 1.00 0.00 H new ATOM 0 HA LEU A 64 11.407 -2.851 -4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 64 10.144 -4.265 -2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 64 11.860 -4.043 -2.428 1.00 0.00 H new ATOM 0 HG LEU A 64 9.885 -1.791 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.923 -1.620 0.267 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.122 -3.192 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 64 11.894 -3.070 -0.079 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.909 -0.420 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 64 12.919 -1.823 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.827 -1.115 -3.285 1.00 0.00 H new ATOM 977 N SER A 65 11.842 -5.441 -4.764 1.00 0.00 N ATOM 978 CA SER A 65 12.010 -6.762 -5.358 1.00 0.00 C ATOM 979 C SER A 65 11.483 -7.848 -4.425 1.00 0.00 C ATOM 980 O SER A 65 10.811 -8.783 -4.859 1.00 0.00 O ATOM 981 CB SER A 65 13.484 -7.018 -5.676 1.00 0.00 C ATOM 982 OG SER A 65 14.295 -6.824 -4.530 1.00 0.00 O ATOM 0 H SER A 65 12.700 -5.032 -4.395 1.00 0.00 H new ATOM 0 HA SER A 65 11.436 -6.793 -6.284 1.00 0.00 H new ATOM 0 HB2 SER A 65 13.608 -8.036 -6.045 1.00 0.00 H new ATOM 0 HB3 SER A 65 13.809 -6.349 -6.473 1.00 0.00 H new ATOM 0 HG SER A 65 15.232 -6.996 -4.760 1.00 0.00 H new ATOM 988 N GLY A 66 11.794 -7.716 -3.139 1.00 0.00 N ATOM 989 CA GLY A 66 11.345 -8.692 -2.163 1.00 0.00 C ATOM 990 C GLY A 66 12.433 -9.068 -1.176 1.00 0.00 C ATOM 991 O GLY A 66 12.838 -8.268 -0.333 1.00 0.00 O ATOM 0 H GLY A 66 12.349 -6.951 -2.756 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.489 -8.291 -1.620 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.003 -9.588 -2.681 1.00 0.00 H new ATOM 995 N PRO A 67 12.922 -10.313 -1.274 1.00 0.00 N ATOM 996 CA PRO A 67 13.974 -10.822 -0.390 1.00 0.00 C ATOM 997 C PRO A 67 15.324 -10.165 -0.658 1.00 0.00 C ATOM 998 O PRO A 67 16.060 -10.580 -1.553 1.00 0.00 O ATOM 999 CB PRO A 67 14.029 -12.314 -0.725 1.00 0.00 C ATOM 1000 CG PRO A 67 13.515 -12.408 -2.120 1.00 0.00 C ATOM 1001 CD PRO A 67 12.485 -11.320 -2.256 1.00 0.00 C ATOM 0 HA PRO A 67 13.760 -10.615 0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 67 15.046 -12.699 -0.651 1.00 0.00 H new ATOM 0 HB3 PRO A 67 13.417 -12.897 -0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 67 14.320 -12.275 -2.842 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.075 -13.387 -2.309 1.00 0.00 H new ATOM 0 HD2 PRO A 67 12.462 -10.912 -3.267 1.00 0.00 H new ATOM 0 HD3 PRO A 67 11.482 -11.686 -2.037 1.00 0.00 H new ATOM 1009 N SER A 68 15.644 -9.139 0.124 1.00 0.00 N ATOM 1010 CA SER A 68 16.905 -8.423 -0.031 1.00 0.00 C ATOM 1011 C SER A 68 18.021 -9.374 -0.455 1.00 0.00 C ATOM 1012 O SER A 68 18.793 -9.075 -1.366 1.00 0.00 O ATOM 1013 CB SER A 68 17.283 -7.724 1.276 1.00 0.00 C ATOM 1014 OG SER A 68 17.317 -8.643 2.354 1.00 0.00 O ATOM 0 H SER A 68 15.047 -8.785 0.872 1.00 0.00 H new ATOM 0 HA SER A 68 16.775 -7.673 -0.811 1.00 0.00 H new ATOM 0 HB2 SER A 68 18.258 -7.248 1.169 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.564 -6.933 1.490 1.00 0.00 H new ATOM 0 HG SER A 68 17.563 -8.172 3.178 1.00 0.00 H new ATOM 1020 N SER A 69 18.098 -10.520 0.214 1.00 0.00 N ATOM 1021 CA SER A 69 19.121 -11.514 -0.090 1.00 0.00 C ATOM 1022 C SER A 69 18.502 -12.898 -0.256 1.00 0.00 C ATOM 1023 O SER A 69 17.344 -13.119 0.097 1.00 0.00 O ATOM 1024 CB SER A 69 20.176 -11.545 1.018 1.00 0.00 C ATOM 1025 OG SER A 69 21.295 -12.327 0.635 1.00 0.00 O ATOM 0 H SER A 69 17.465 -10.783 0.969 1.00 0.00 H new ATOM 0 HA SER A 69 19.598 -11.233 -1.029 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.499 -10.529 1.245 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.739 -11.952 1.930 1.00 0.00 H new ATOM 0 HG SER A 69 21.955 -12.330 1.359 1.00 0.00 H new ATOM 1031 N GLY A 70 19.283 -13.828 -0.797 1.00 0.00 N ATOM 1032 CA GLY A 70 18.795 -15.179 -1.002 1.00 0.00 C ATOM 1033 C GLY A 70 19.912 -16.203 -1.020 1.00 0.00 C ATOM 1034 O GLY A 70 21.076 -15.858 -1.223 1.00 0.00 O ATOM 0 H GLY A 70 20.245 -13.670 -1.097 1.00 0.00 H new ATOM 0 HA2 GLY A 70 18.089 -15.431 -0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 70 18.249 -15.225 -1.944 1.00 0.00 H new TER 1038 GLY A 70