USER MOD reduce.3.24.130724 H: found=0, std=0, add=369, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 369 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 Set 1.1: A 37 HIS : no HE2:sc= -3.91! C(o=-4.2!,f=-14!) USER MOD Set 1.2: A 44 TYR OH : rot 15:sc= -0.268 USER MOD Set 2.1: A 21 LYS NZ :NH3+ 176:sc= 1.18 (180deg=0) USER MOD Set 2.2: A 31 THR OG1 : rot 180:sc= 0.889 USER MOD Set 3.1: A 16 ASN : amide:sc= -1.67! C(o=-1.5!,f=-9.4!) USER MOD Set 3.2: A 18 THR OG1 : rot 180:sc= 0.19 USER MOD Set 4.1: A 5 THR OG1 : rot -130:sc= -0.184 USER MOD Set 4.2: A 47 LYS NZ :NH3+ -111:sc= 0.0312 (180deg=-0.383) USER MOD Single : A 1 ARG N :NH3+ 161:sc= 2.18 (180deg=0.965) USER MOD Single : A 2 MET CE :methyl -161:sc= -0.163 (180deg=-0.679) USER MOD Single : A 4 LYS NZ :NH3+ -141:sc= 0.59 (180deg=-1.81!) USER MOD Single : A 7 SER OG : rot -95:sc= 1.8 USER MOD Single : A 9 LYS NZ :NH3+ 134:sc= -0.448! (180deg=-2.09!) USER MOD Single : A 11 LYS NZ :NH3+ -161:sc= 1.17 (180deg=0.56) USER MOD Single : A 13 TYR OH : rot 180:sc=-0.00582 USER MOD Single : A 17 ASN : amide:sc= 0.992 K(o=0.99,f=-4!) USER MOD Single : A 19 ASN : amide:sc= -0.0488 K(o=-0.049,f=-0.65) USER MOD Single : A 22 ASN : amide:sc= -0.1 K(o=-0.1,f=-4.5!) USER MOD Single : A 26 THR OG1 : rot 76:sc= 1.23 USER MOD Single : A 33 SER OG : rot 14:sc= 0.685 USER MOD Single : A 42 LYS NZ :NH3+ -126:sc= 1.29 (180deg=-0.041) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.116 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 15.053 -6.694 3.709 1.00 0.00 N ATOM 2 CA ARG A 1 13.666 -6.944 4.117 1.00 0.00 C ATOM 3 C ARG A 1 12.691 -6.084 3.346 1.00 0.00 C ATOM 4 O ARG A 1 13.039 -5.015 2.850 1.00 0.00 O ATOM 5 CB ARG A 1 13.469 -6.734 5.618 1.00 0.00 C ATOM 6 CG ARG A 1 14.034 -7.820 6.507 1.00 0.00 C ATOM 7 CD ARG A 1 13.984 -7.392 7.964 1.00 0.00 C ATOM 8 NE ARG A 1 14.332 -8.503 8.887 1.00 0.00 N ATOM 9 CZ ARG A 1 15.466 -8.588 9.620 1.00 0.00 C ATOM 10 NH1 ARG A 1 16.452 -7.723 9.438 1.00 0.00 N ATOM 11 NH2 ARG A 1 15.614 -9.584 10.507 1.00 0.00 N ATOM 0 H1 ARG A 1 15.699 -7.038 4.447 1.00 0.00 H new ATOM 0 H2 ARG A 1 15.248 -7.193 2.818 1.00 0.00 H new ATOM 0 H3 ARG A 1 15.196 -5.673 3.573 1.00 0.00 H new ATOM 0 HA ARG A 1 13.462 -7.989 3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 1 13.927 -5.785 5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 1 12.401 -6.644 5.818 1.00 0.00 H new ATOM 0 HG2 ARG A 1 13.466 -8.741 6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 1 15.063 -8.035 6.220 1.00 0.00 H new ATOM 0 HD2 ARG A 1 14.673 -6.562 8.121 1.00 0.00 H new ATOM 0 HD3 ARG A 1 12.985 -7.026 8.199 1.00 0.00 H new ATOM 0 HE ARG A 1 13.660 -9.265 8.975 1.00 0.00 H new ATOM 0 HH11 ARG A 1 16.360 -6.985 8.740 1.00 0.00 H new ATOM 0 HH12 ARG A 1 17.303 -7.795 9.995 1.00 0.00 H new ATOM 0 HH21 ARG A 1 14.873 -10.274 10.627 1.00 0.00 H new ATOM 0 HH22 ARG A 1 16.468 -9.651 11.061 1.00 0.00 H new ATOM 27 N MET A 2 11.474 -6.569 3.245 1.00 0.00 N ATOM 28 CA MET A 2 10.385 -5.859 2.624 1.00 0.00 C ATOM 29 C MET A 2 9.428 -5.471 3.682 1.00 0.00 C ATOM 30 O MET A 2 8.695 -6.296 4.212 1.00 0.00 O ATOM 31 CB MET A 2 9.693 -6.707 1.566 1.00 0.00 C ATOM 32 CG MET A 2 10.545 -6.959 0.347 1.00 0.00 C ATOM 33 SD MET A 2 9.743 -7.995 -0.895 1.00 0.00 S ATOM 34 CE MET A 2 9.425 -9.502 0.028 1.00 0.00 C ATOM 0 H MET A 2 11.211 -7.488 3.601 1.00 0.00 H new ATOM 0 HA MET A 2 10.773 -4.975 2.117 1.00 0.00 H new ATOM 0 HB2 MET A 2 9.410 -7.663 2.006 1.00 0.00 H new ATOM 0 HB3 MET A 2 8.772 -6.212 1.260 1.00 0.00 H new ATOM 0 HG2 MET A 2 10.809 -6.003 -0.105 1.00 0.00 H new ATOM 0 HG3 MET A 2 11.476 -7.433 0.657 1.00 0.00 H new ATOM 0 HE1 MET A 2 9.254 -10.325 -0.666 1.00 0.00 H new ATOM 0 HE2 MET A 2 10.285 -9.731 0.658 1.00 0.00 H new ATOM 0 HE3 MET A 2 8.543 -9.366 0.654 1.00 0.00 H new ATOM 44 N CYS A 3 9.513 -4.255 4.053 1.00 0.00 N ATOM 45 CA CYS A 3 8.663 -3.705 5.052 1.00 0.00 C ATOM 46 C CYS A 3 7.325 -3.355 4.463 1.00 0.00 C ATOM 47 O CYS A 3 7.217 -2.439 3.639 1.00 0.00 O ATOM 48 CB CYS A 3 9.312 -2.493 5.695 1.00 0.00 C ATOM 49 SG CYS A 3 10.554 -2.863 6.982 1.00 0.00 S ATOM 0 H CYS A 3 10.187 -3.593 3.668 1.00 0.00 H new ATOM 0 HA CYS A 3 8.506 -4.453 5.830 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.788 -1.899 4.914 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.530 -1.874 6.135 1.00 0.00 H new ATOM 54 N LYS A 4 6.325 -4.082 4.884 1.00 0.00 N ATOM 55 CA LYS A 4 4.991 -3.917 4.398 1.00 0.00 C ATOM 56 C LYS A 4 4.252 -2.953 5.328 1.00 0.00 C ATOM 57 O LYS A 4 4.017 -3.252 6.491 1.00 0.00 O ATOM 58 CB LYS A 4 4.308 -5.290 4.359 1.00 0.00 C ATOM 59 CG LYS A 4 3.013 -5.323 3.584 1.00 0.00 C ATOM 60 CD LYS A 4 2.417 -6.723 3.508 1.00 0.00 C ATOM 61 CE LYS A 4 1.923 -7.239 4.860 1.00 0.00 C ATOM 62 NZ LYS A 4 1.371 -8.616 4.769 1.00 0.00 N ATOM 0 H LYS A 4 6.421 -4.816 5.586 1.00 0.00 H new ATOM 0 HA LYS A 4 4.986 -3.502 3.390 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.997 -6.012 3.921 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.113 -5.614 5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.295 -4.650 4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.187 -4.950 2.575 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.587 -6.720 2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.167 -7.410 3.116 1.00 0.00 H new ATOM 0 HE2 LYS A 4 2.746 -7.226 5.574 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.156 -6.567 5.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.532 -8.695 5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.104 -8.819 3.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.090 -9.300 5.080 1.00 0.00 H new ATOM 76 N THR A 5 3.960 -1.800 4.822 1.00 0.00 N ATOM 77 CA THR A 5 3.323 -0.743 5.559 1.00 0.00 C ATOM 78 C THR A 5 1.955 -0.403 4.936 1.00 0.00 C ATOM 79 O THR A 5 1.885 -0.127 3.777 1.00 0.00 O ATOM 80 CB THR A 5 4.270 0.468 5.519 1.00 0.00 C ATOM 81 OG1 THR A 5 5.491 0.138 6.235 1.00 0.00 O ATOM 82 CG2 THR A 5 3.640 1.738 6.066 1.00 0.00 C ATOM 0 H THR A 5 4.162 -1.554 3.853 1.00 0.00 H new ATOM 0 HA THR A 5 3.136 -1.041 6.590 1.00 0.00 H new ATOM 0 HB THR A 5 4.496 0.681 4.474 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.696 0.849 6.878 1.00 0.00 H new ATOM 0 HG21 THR A 5 4.360 2.555 6.010 1.00 0.00 H new ATOM 0 HG22 THR A 5 2.758 1.990 5.477 1.00 0.00 H new ATOM 0 HG23 THR A 5 3.349 1.582 7.105 1.00 0.00 H new ATOM 90 N PRO A 6 0.868 -0.458 5.710 1.00 0.00 N ATOM 91 CA PRO A 6 -0.477 -0.167 5.196 1.00 0.00 C ATOM 92 C PRO A 6 -0.630 1.274 4.733 1.00 0.00 C ATOM 93 O PRO A 6 -0.408 2.205 5.499 1.00 0.00 O ATOM 94 CB PRO A 6 -1.395 -0.447 6.385 1.00 0.00 C ATOM 95 CG PRO A 6 -0.519 -0.408 7.595 1.00 0.00 C ATOM 96 CD PRO A 6 0.870 -0.773 7.141 1.00 0.00 C ATOM 0 HA PRO A 6 -0.705 -0.771 4.318 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -2.187 0.299 6.452 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.880 -1.418 6.284 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.529 0.584 8.047 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.874 -1.107 8.352 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.628 -0.200 7.675 1.00 0.00 H new ATOM 0 HD3 PRO A 6 1.084 -1.827 7.318 1.00 0.00 H new ATOM 104 N SER A 7 -1.014 1.420 3.488 1.00 0.00 N ATOM 105 CA SER A 7 -1.176 2.708 2.835 1.00 0.00 C ATOM 106 C SER A 7 -2.239 3.557 3.528 1.00 0.00 C ATOM 107 O SER A 7 -3.325 3.028 3.953 1.00 0.00 O ATOM 108 CB SER A 7 -1.594 2.437 1.426 1.00 0.00 C ATOM 109 OG SER A 7 -0.911 1.298 0.967 1.00 0.00 O ATOM 0 H SER A 7 -1.229 0.629 2.881 1.00 0.00 H new ATOM 0 HA SER A 7 -0.239 3.263 2.878 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.671 2.278 1.375 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.368 3.295 0.793 1.00 0.00 H new ATOM 0 HG SER A 7 -0.105 1.573 0.482 1.00 0.00 H new ATOM 115 N GLY A 8 -1.976 4.830 3.606 1.00 0.00 N ATOM 116 CA GLY A 8 -2.835 5.730 4.289 1.00 0.00 C ATOM 117 C GLY A 8 -3.889 6.358 3.403 1.00 0.00 C ATOM 118 O GLY A 8 -5.001 6.645 3.867 1.00 0.00 O ATOM 0 H GLY A 8 -1.152 5.267 3.192 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.327 5.200 5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.234 6.520 4.739 1.00 0.00 H new ATOM 122 N LYS A 9 -3.616 6.549 2.115 1.00 0.00 N ATOM 123 CA LYS A 9 -4.575 7.243 1.335 1.00 0.00 C ATOM 124 C LYS A 9 -5.330 6.378 0.410 1.00 0.00 C ATOM 125 O LYS A 9 -6.202 6.851 -0.322 1.00 0.00 O ATOM 126 CB LYS A 9 -4.018 8.424 0.665 1.00 0.00 C ATOM 127 CG LYS A 9 -2.968 8.175 -0.280 1.00 0.00 C ATOM 128 CD LYS A 9 -2.378 9.449 -0.554 1.00 0.00 C ATOM 129 CE LYS A 9 -1.424 9.322 -1.653 1.00 0.00 C ATOM 130 NZ LYS A 9 -0.566 10.529 -1.760 1.00 0.00 N ATOM 0 H LYS A 9 -2.774 6.241 1.628 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.308 7.609 2.054 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.828 8.941 0.150 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.639 9.105 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.231 7.483 0.128 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.361 7.722 -1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.152 10.171 -0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.875 9.827 0.336 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.800 8.442 -1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.961 9.170 -2.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.426 10.240 -1.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.861 11.093 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.662 11.101 -0.896 1.00 0.00 H new ATOM 144 N PHE A 10 -5.042 5.117 0.474 1.00 0.00 N ATOM 145 CA PHE A 10 -5.688 4.143 -0.344 1.00 0.00 C ATOM 146 C PHE A 10 -7.016 3.712 0.250 1.00 0.00 C ATOM 147 O PHE A 10 -7.096 3.337 1.441 1.00 0.00 O ATOM 148 CB PHE A 10 -4.830 2.923 -0.454 1.00 0.00 C ATOM 149 CG PHE A 10 -5.209 2.050 -1.589 1.00 0.00 C ATOM 150 CD1 PHE A 10 -6.158 1.040 -1.461 1.00 0.00 C ATOM 151 CD2 PHE A 10 -4.603 2.241 -2.778 1.00 0.00 C ATOM 152 CE1 PHE A 10 -6.477 0.244 -2.536 1.00 0.00 C ATOM 153 CE2 PHE A 10 -4.907 1.455 -3.868 1.00 0.00 C ATOM 154 CZ PHE A 10 -5.848 0.450 -3.747 1.00 0.00 C ATOM 0 H PHE A 10 -4.341 4.730 1.106 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.854 4.600 -1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.789 3.226 -0.568 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.897 2.354 0.473 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.647 0.880 -0.511 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.866 3.024 -2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.215 -0.538 -2.433 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.412 1.624 -4.813 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.090 -0.171 -4.596 1.00 0.00 H new ATOM 164 N LYS A 11 -8.022 3.746 -0.578 1.00 0.00 N ATOM 165 CA LYS A 11 -9.345 3.248 -0.266 1.00 0.00 C ATOM 166 C LYS A 11 -9.786 2.367 -1.413 1.00 0.00 C ATOM 167 O LYS A 11 -9.201 2.433 -2.496 1.00 0.00 O ATOM 168 CB LYS A 11 -10.387 4.372 -0.107 1.00 0.00 C ATOM 169 CG LYS A 11 -10.105 5.398 0.961 1.00 0.00 C ATOM 170 CD LYS A 11 -9.161 6.472 0.490 1.00 0.00 C ATOM 171 CE LYS A 11 -8.854 7.451 1.595 1.00 0.00 C ATOM 172 NZ LYS A 11 -7.932 8.509 1.131 1.00 0.00 N ATOM 0 H LYS A 11 -7.948 4.132 -1.519 1.00 0.00 H new ATOM 0 HA LYS A 11 -9.286 2.714 0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.481 4.889 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -11.354 3.915 0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -11.042 5.855 1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.681 4.902 1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.236 6.017 0.136 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.600 7.001 -0.356 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.780 7.903 1.952 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -8.411 6.923 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.488 8.967 1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.196 8.088 0.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.463 9.217 0.585 1.00 0.00 H new ATOM 186 N GLY A 12 -10.782 1.552 -1.183 1.00 0.00 N ATOM 187 CA GLY A 12 -11.318 0.743 -2.238 1.00 0.00 C ATOM 188 C GLY A 12 -10.784 -0.659 -2.213 1.00 0.00 C ATOM 189 O GLY A 12 -10.387 -1.165 -1.166 1.00 0.00 O ATOM 0 H GLY A 12 -11.235 1.433 -0.277 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -12.405 0.716 -2.155 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.083 1.201 -3.199 1.00 0.00 H new ATOM 193 N TYR A 13 -10.766 -1.278 -3.361 1.00 0.00 N ATOM 194 CA TYR A 13 -10.319 -2.634 -3.496 1.00 0.00 C ATOM 195 C TYR A 13 -8.970 -2.724 -4.155 1.00 0.00 C ATOM 196 O TYR A 13 -8.825 -2.445 -5.345 1.00 0.00 O ATOM 197 CB TYR A 13 -11.332 -3.464 -4.272 1.00 0.00 C ATOM 198 CG TYR A 13 -12.261 -4.252 -3.402 1.00 0.00 C ATOM 199 CD1 TYR A 13 -11.968 -5.564 -3.110 1.00 0.00 C ATOM 200 CD2 TYR A 13 -13.410 -3.695 -2.863 1.00 0.00 C ATOM 201 CE1 TYR A 13 -12.778 -6.319 -2.314 1.00 0.00 C ATOM 202 CE2 TYR A 13 -14.244 -4.446 -2.055 1.00 0.00 C ATOM 203 CZ TYR A 13 -13.919 -5.762 -1.784 1.00 0.00 C ATOM 204 OH TYR A 13 -14.729 -6.519 -0.980 1.00 0.00 O ATOM 0 H TYR A 13 -11.065 -0.850 -4.237 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.224 -3.036 -2.487 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -11.919 -2.802 -4.908 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -10.798 -4.149 -4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -11.073 -6.008 -3.522 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -13.656 -2.665 -3.076 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -12.526 -7.347 -2.101 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -15.140 -4.009 -1.640 1.00 0.00 H new ATOM 0 HH TYR A 13 -15.493 -5.980 -0.685 1.00 0.00 H new ATOM 214 N CYS A 14 -7.987 -3.130 -3.399 1.00 0.00 N ATOM 215 CA CYS A 14 -6.669 -3.330 -3.931 1.00 0.00 C ATOM 216 C CYS A 14 -6.594 -4.714 -4.570 1.00 0.00 C ATOM 217 O CYS A 14 -6.115 -5.670 -3.976 1.00 0.00 O ATOM 218 CB CYS A 14 -5.601 -3.190 -2.843 1.00 0.00 C ATOM 219 SG CYS A 14 -3.906 -2.892 -3.451 1.00 0.00 S ATOM 0 H CYS A 14 -8.077 -3.330 -2.403 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.475 -2.564 -4.682 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.883 -2.369 -2.183 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.599 -4.098 -2.239 1.00 0.00 H new ATOM 224 N VAL A 15 -7.265 -4.850 -5.668 1.00 0.00 N ATOM 225 CA VAL A 15 -7.169 -6.024 -6.508 1.00 0.00 C ATOM 226 C VAL A 15 -5.832 -6.010 -7.240 1.00 0.00 C ATOM 227 O VAL A 15 -5.062 -6.968 -7.189 1.00 0.00 O ATOM 228 CB VAL A 15 -8.324 -6.065 -7.550 1.00 0.00 C ATOM 229 CG1 VAL A 15 -8.187 -7.262 -8.484 1.00 0.00 C ATOM 230 CG2 VAL A 15 -9.675 -6.084 -6.853 1.00 0.00 C ATOM 0 H VAL A 15 -7.909 -4.142 -6.022 1.00 0.00 H new ATOM 0 HA VAL A 15 -7.245 -6.908 -5.875 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.258 -5.160 -8.154 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -9.009 -7.261 -9.199 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.240 -7.199 -9.020 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.214 -8.183 -7.902 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -10.469 -6.113 -7.599 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.744 -6.966 -6.216 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -9.782 -5.187 -6.243 1.00 0.00 H new ATOM 240 N ASN A 16 -5.564 -4.900 -7.864 1.00 0.00 N ATOM 241 CA ASN A 16 -4.387 -4.718 -8.675 1.00 0.00 C ATOM 242 C ASN A 16 -3.279 -3.979 -7.927 1.00 0.00 C ATOM 243 O ASN A 16 -3.471 -2.863 -7.421 1.00 0.00 O ATOM 244 CB ASN A 16 -4.774 -4.025 -9.996 1.00 0.00 C ATOM 245 CG ASN A 16 -3.603 -3.372 -10.711 1.00 0.00 C ATOM 246 OD1 ASN A 16 -3.333 -2.211 -10.495 1.00 0.00 O ATOM 247 ND2 ASN A 16 -2.902 -4.097 -11.551 1.00 0.00 N ATOM 0 H ASN A 16 -6.167 -4.078 -7.825 1.00 0.00 H new ATOM 0 HA ASN A 16 -3.971 -5.697 -8.912 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -5.230 -4.759 -10.661 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.530 -3.268 -9.790 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.108 -3.685 -12.041 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.151 -5.072 -11.714 1.00 0.00 H new ATOM 254 N ASN A 17 -2.122 -4.627 -7.882 1.00 0.00 N ATOM 255 CA ASN A 17 -0.921 -4.131 -7.191 1.00 0.00 C ATOM 256 C ASN A 17 -0.412 -2.828 -7.771 1.00 0.00 C ATOM 257 O ASN A 17 0.179 -2.042 -7.071 1.00 0.00 O ATOM 258 CB ASN A 17 0.204 -5.180 -7.237 1.00 0.00 C ATOM 259 CG ASN A 17 -0.098 -6.428 -6.433 1.00 0.00 C ATOM 260 OD1 ASN A 17 -0.752 -6.377 -5.407 1.00 0.00 O ATOM 261 ND2 ASN A 17 0.356 -7.562 -6.902 1.00 0.00 N ATOM 0 H ASN A 17 -1.981 -5.532 -8.332 1.00 0.00 H new ATOM 0 HA ASN A 17 -1.215 -3.946 -6.158 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.385 -5.461 -8.274 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.124 -4.731 -6.863 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.165 -8.432 -6.406 1.00 0.00 H new ATOM 0 HD22 ASN A 17 0.901 -7.576 -7.764 1.00 0.00 H new ATOM 268 N THR A 18 -0.642 -2.611 -9.045 1.00 0.00 N ATOM 269 CA THR A 18 -0.198 -1.414 -9.742 1.00 0.00 C ATOM 270 C THR A 18 -0.923 -0.143 -9.173 1.00 0.00 C ATOM 271 O THR A 18 -0.325 0.922 -9.083 1.00 0.00 O ATOM 272 CB THR A 18 -0.539 -1.582 -11.234 1.00 0.00 C ATOM 273 OG1 THR A 18 -0.123 -2.898 -11.662 1.00 0.00 O ATOM 274 CG2 THR A 18 0.156 -0.545 -12.090 1.00 0.00 C ATOM 0 H THR A 18 -1.149 -3.266 -9.640 1.00 0.00 H new ATOM 0 HA THR A 18 0.875 -1.281 -9.604 1.00 0.00 H new ATOM 0 HB THR A 18 -1.615 -1.453 -11.353 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.337 -3.016 -12.611 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.111 -0.698 -13.136 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.155 0.452 -11.778 1.00 0.00 H new ATOM 0 HG23 THR A 18 1.235 -0.641 -11.973 1.00 0.00 H new ATOM 282 N ASN A 19 -2.192 -0.291 -8.757 1.00 0.00 N ATOM 283 CA ASN A 19 -2.972 0.812 -8.192 1.00 0.00 C ATOM 284 C ASN A 19 -2.400 1.142 -6.848 1.00 0.00 C ATOM 285 O ASN A 19 -2.147 2.302 -6.529 1.00 0.00 O ATOM 286 CB ASN A 19 -4.444 0.398 -8.023 1.00 0.00 C ATOM 287 CG ASN A 19 -5.344 1.543 -7.574 1.00 0.00 C ATOM 288 OD1 ASN A 19 -5.101 2.698 -7.886 1.00 0.00 O ATOM 289 ND2 ASN A 19 -6.393 1.221 -6.841 1.00 0.00 N ATOM 0 H ASN A 19 -2.699 -1.175 -8.804 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.927 1.673 -8.859 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.814 0.004 -8.969 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.506 -0.411 -7.295 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -7.031 1.948 -6.517 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.566 0.245 -6.599 1.00 0.00 H new ATOM 296 N CYS A 20 -2.140 0.082 -6.088 1.00 0.00 N ATOM 297 CA CYS A 20 -1.530 0.167 -4.766 1.00 0.00 C ATOM 298 C CYS A 20 -0.235 0.870 -4.902 1.00 0.00 C ATOM 299 O CYS A 20 0.086 1.801 -4.168 1.00 0.00 O ATOM 300 CB CYS A 20 -1.187 -1.223 -4.281 1.00 0.00 C ATOM 301 SG CYS A 20 -0.775 -1.328 -2.533 1.00 0.00 S ATOM 0 H CYS A 20 -2.350 -0.873 -6.378 1.00 0.00 H new ATOM 0 HA CYS A 20 -2.216 0.672 -4.086 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.032 -1.882 -4.482 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -0.345 -1.599 -4.862 1.00 0.00 H new ATOM 306 N LYS A 21 0.483 0.413 -5.898 1.00 0.00 N ATOM 307 CA LYS A 21 1.772 0.839 -6.202 1.00 0.00 C ATOM 308 C LYS A 21 1.756 2.334 -6.385 1.00 0.00 C ATOM 309 O LYS A 21 2.473 3.032 -5.720 1.00 0.00 O ATOM 310 CB LYS A 21 2.198 0.194 -7.488 1.00 0.00 C ATOM 311 CG LYS A 21 3.607 -0.266 -7.596 1.00 0.00 C ATOM 312 CD LYS A 21 3.731 -1.045 -8.886 1.00 0.00 C ATOM 313 CE LYS A 21 5.147 -1.386 -9.210 1.00 0.00 C ATOM 314 NZ LYS A 21 5.788 -2.277 -8.199 1.00 0.00 N ATOM 0 H LYS A 21 0.139 -0.305 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 21 2.460 0.569 -5.401 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.550 -0.665 -7.663 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.013 0.902 -8.296 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.289 0.584 -7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.873 -0.891 -6.743 1.00 0.00 H new ATOM 0 HD2 LYS A 21 3.147 -1.962 -8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.305 -0.462 -9.702 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.182 -1.871 -10.185 1.00 0.00 H new ATOM 0 HE3 LYS A 21 5.725 -0.466 -9.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 6.745 -2.530 -8.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.846 -1.781 -7.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.220 -3.141 -8.088 1.00 0.00 H new ATOM 328 N ASN A 22 0.874 2.799 -7.266 1.00 0.00 N ATOM 329 CA ASN A 22 0.746 4.217 -7.591 1.00 0.00 C ATOM 330 C ASN A 22 0.433 5.027 -6.369 1.00 0.00 C ATOM 331 O ASN A 22 1.097 6.029 -6.107 1.00 0.00 O ATOM 332 CB ASN A 22 -0.318 4.472 -8.668 1.00 0.00 C ATOM 333 CG ASN A 22 0.046 3.889 -10.019 1.00 0.00 C ATOM 334 OD1 ASN A 22 1.229 3.767 -10.364 1.00 0.00 O ATOM 335 ND2 ASN A 22 -0.949 3.534 -10.796 1.00 0.00 N ATOM 0 H ASN A 22 0.225 2.200 -7.777 1.00 0.00 H new ATOM 0 HA ASN A 22 1.711 4.531 -7.989 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.266 4.047 -8.340 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.469 5.546 -8.772 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.761 3.142 -11.719 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.911 3.649 -10.477 1.00 0.00 H new ATOM 342 N VAL A 23 -0.540 4.578 -5.595 1.00 0.00 N ATOM 343 CA VAL A 23 -0.938 5.278 -4.390 1.00 0.00 C ATOM 344 C VAL A 23 0.231 5.362 -3.405 1.00 0.00 C ATOM 345 O VAL A 23 0.545 6.445 -2.915 1.00 0.00 O ATOM 346 CB VAL A 23 -2.181 4.641 -3.722 1.00 0.00 C ATOM 347 CG1 VAL A 23 -2.564 5.391 -2.458 1.00 0.00 C ATOM 348 CG2 VAL A 23 -3.358 4.622 -4.694 1.00 0.00 C ATOM 0 H VAL A 23 -1.070 3.727 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.221 6.289 -4.683 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.928 3.616 -3.451 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.440 4.923 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.734 5.361 -1.752 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.793 6.428 -2.705 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.224 4.171 -4.209 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.600 5.642 -4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.092 4.039 -5.576 1.00 0.00 H new ATOM 358 N CYS A 24 0.898 4.244 -3.189 1.00 0.00 N ATOM 359 CA CYS A 24 2.078 4.169 -2.328 1.00 0.00 C ATOM 360 C CYS A 24 3.210 5.045 -2.842 1.00 0.00 C ATOM 361 O CYS A 24 3.870 5.736 -2.074 1.00 0.00 O ATOM 362 CB CYS A 24 2.532 2.721 -2.184 1.00 0.00 C ATOM 363 SG CYS A 24 1.420 1.739 -1.171 1.00 0.00 S ATOM 0 H CYS A 24 0.639 3.350 -3.607 1.00 0.00 H new ATOM 0 HA CYS A 24 1.800 4.550 -1.345 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.609 2.269 -3.173 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.530 2.700 -1.745 1.00 0.00 H new ATOM 368 N ARG A 25 3.401 5.056 -4.142 1.00 0.00 N ATOM 369 CA ARG A 25 4.426 5.882 -4.761 1.00 0.00 C ATOM 370 C ARG A 25 4.081 7.358 -4.598 1.00 0.00 C ATOM 371 O ARG A 25 4.949 8.201 -4.502 1.00 0.00 O ATOM 372 CB ARG A 25 4.597 5.490 -6.229 1.00 0.00 C ATOM 373 CG ARG A 25 5.138 4.072 -6.382 1.00 0.00 C ATOM 374 CD ARG A 25 4.871 3.505 -7.762 1.00 0.00 C ATOM 375 NE ARG A 25 5.664 4.143 -8.802 1.00 0.00 N ATOM 376 CZ ARG A 25 5.232 4.482 -10.035 1.00 0.00 C ATOM 377 NH1 ARG A 25 3.954 4.306 -10.381 1.00 0.00 N ATOM 378 NH2 ARG A 25 6.092 5.013 -10.916 1.00 0.00 N ATOM 0 H ARG A 25 2.857 4.499 -4.801 1.00 0.00 H new ATOM 0 HA ARG A 25 5.381 5.714 -4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.637 5.569 -6.740 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.275 6.191 -6.715 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.211 4.072 -6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.681 3.427 -5.631 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.082 2.436 -7.756 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.813 3.620 -7.998 1.00 0.00 H new ATOM 0 HE ARG A 25 6.637 4.354 -8.578 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.294 3.912 -9.711 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.638 4.566 -11.315 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.067 5.159 -10.653 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.772 5.271 -11.849 1.00 0.00 H new ATOM 392 N THR A 26 2.791 7.643 -4.519 1.00 0.00 N ATOM 393 CA THR A 26 2.318 8.988 -4.309 1.00 0.00 C ATOM 394 C THR A 26 2.289 9.328 -2.774 1.00 0.00 C ATOM 395 O THR A 26 2.128 10.489 -2.388 1.00 0.00 O ATOM 396 CB THR A 26 0.908 9.176 -4.948 1.00 0.00 C ATOM 397 OG1 THR A 26 0.923 8.668 -6.281 1.00 0.00 O ATOM 398 CG2 THR A 26 0.518 10.650 -5.021 1.00 0.00 C ATOM 0 H THR A 26 2.050 6.946 -4.599 1.00 0.00 H new ATOM 0 HA THR A 26 3.006 9.679 -4.796 1.00 0.00 H new ATOM 0 HB THR A 26 0.190 8.643 -4.324 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.892 7.689 -6.258 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.470 10.743 -5.472 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.500 11.072 -4.016 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.246 11.189 -5.628 1.00 0.00 H new ATOM 406 N GLU A 27 2.309 8.302 -1.912 1.00 0.00 N ATOM 407 CA GLU A 27 2.463 8.514 -0.461 1.00 0.00 C ATOM 408 C GLU A 27 3.921 8.792 -0.116 1.00 0.00 C ATOM 409 O GLU A 27 4.216 9.672 0.680 1.00 0.00 O ATOM 410 CB GLU A 27 1.894 7.338 0.386 1.00 0.00 C ATOM 411 CG GLU A 27 0.384 7.252 0.326 1.00 0.00 C ATOM 412 CD GLU A 27 -0.273 6.187 1.196 1.00 0.00 C ATOM 413 OE1 GLU A 27 0.207 5.916 2.288 1.00 0.00 O ATOM 414 OE2 GLU A 27 -1.368 5.695 0.810 1.00 0.00 O ATOM 0 H GLU A 27 2.221 7.324 -2.188 1.00 0.00 H new ATOM 0 HA GLU A 27 1.868 9.389 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.322 6.400 0.031 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.206 7.459 1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.024 8.222 0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.094 7.073 -0.709 1.00 0.00 H new ATOM 421 N GLY A 28 4.810 8.063 -0.748 1.00 0.00 N ATOM 422 CA GLY A 28 6.230 8.253 -0.529 1.00 0.00 C ATOM 423 C GLY A 28 6.942 6.935 -0.374 1.00 0.00 C ATOM 424 O GLY A 28 7.846 6.790 0.446 1.00 0.00 O ATOM 0 H GLY A 28 4.578 7.331 -1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.659 8.804 -1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.384 8.859 0.364 1.00 0.00 H new ATOM 428 N PHE A 29 6.527 5.968 -1.151 1.00 0.00 N ATOM 429 CA PHE A 29 7.077 4.642 -1.085 1.00 0.00 C ATOM 430 C PHE A 29 7.527 4.211 -2.457 1.00 0.00 C ATOM 431 O PHE A 29 6.950 4.636 -3.455 1.00 0.00 O ATOM 432 CB PHE A 29 6.028 3.655 -0.587 1.00 0.00 C ATOM 433 CG PHE A 29 5.540 3.900 0.801 1.00 0.00 C ATOM 434 CD1 PHE A 29 6.083 3.210 1.863 1.00 0.00 C ATOM 435 CD2 PHE A 29 4.511 4.798 1.039 1.00 0.00 C ATOM 436 CE1 PHE A 29 5.611 3.407 3.139 1.00 0.00 C ATOM 437 CE2 PHE A 29 4.033 5.011 2.308 1.00 0.00 C ATOM 438 CZ PHE A 29 4.583 4.312 3.368 1.00 0.00 C ATOM 0 H PHE A 29 5.794 6.081 -1.851 1.00 0.00 H new ATOM 0 HA PHE A 29 7.922 4.654 -0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.175 3.681 -1.266 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.445 2.649 -0.637 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.886 2.509 1.691 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.078 5.340 0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.040 2.858 3.964 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.234 5.718 2.478 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.214 4.470 4.371 1.00 0.00 H new ATOM 448 N PRO A 30 8.558 3.360 -2.535 1.00 0.00 N ATOM 449 CA PRO A 30 9.055 2.847 -3.810 1.00 0.00 C ATOM 450 C PRO A 30 8.014 1.995 -4.546 1.00 0.00 C ATOM 451 O PRO A 30 7.922 2.021 -5.784 1.00 0.00 O ATOM 452 CB PRO A 30 10.257 1.968 -3.416 1.00 0.00 C ATOM 453 CG PRO A 30 10.126 1.726 -1.951 1.00 0.00 C ATOM 454 CD PRO A 30 9.351 2.874 -1.388 1.00 0.00 C ATOM 0 HA PRO A 30 9.305 3.661 -4.490 1.00 0.00 H new ATOM 0 HB2 PRO A 30 10.251 1.029 -3.969 1.00 0.00 H new ATOM 0 HB3 PRO A 30 11.198 2.468 -3.646 1.00 0.00 H new ATOM 0 HG2 PRO A 30 9.613 0.783 -1.760 1.00 0.00 H new ATOM 0 HG3 PRO A 30 11.107 1.656 -1.482 1.00 0.00 H new ATOM 0 HD2 PRO A 30 8.711 2.559 -0.564 1.00 0.00 H new ATOM 0 HD3 PRO A 30 10.011 3.650 -1.000 1.00 0.00 H new ATOM 462 N THR A 31 7.221 1.243 -3.801 1.00 0.00 N ATOM 463 CA THR A 31 6.285 0.368 -4.410 1.00 0.00 C ATOM 464 C THR A 31 5.148 0.054 -3.441 1.00 0.00 C ATOM 465 O THR A 31 5.219 0.384 -2.254 1.00 0.00 O ATOM 466 CB THR A 31 7.012 -0.938 -4.901 1.00 0.00 C ATOM 467 OG1 THR A 31 6.096 -1.887 -5.513 1.00 0.00 O ATOM 468 CG2 THR A 31 7.787 -1.598 -3.760 1.00 0.00 C ATOM 0 H THR A 31 7.221 1.234 -2.781 1.00 0.00 H new ATOM 0 HA THR A 31 5.848 0.854 -5.282 1.00 0.00 H new ATOM 0 HB THR A 31 7.719 -0.631 -5.671 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.593 -2.680 -5.803 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.280 -2.498 -4.128 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.536 -0.904 -3.380 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.098 -1.863 -2.958 1.00 0.00 H new ATOM 476 N GLY A 32 4.128 -0.572 -3.955 1.00 0.00 N ATOM 477 CA GLY A 32 2.991 -0.935 -3.204 1.00 0.00 C ATOM 478 C GLY A 32 2.470 -2.211 -3.752 1.00 0.00 C ATOM 479 O GLY A 32 2.729 -2.526 -4.934 1.00 0.00 O ATOM 0 H GLY A 32 4.076 -0.845 -4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.250 -1.049 -2.151 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.231 -0.156 -3.262 1.00 0.00 H new ATOM 483 N SER A 33 1.811 -2.948 -2.938 1.00 0.00 N ATOM 484 CA SER A 33 1.264 -4.240 -3.268 1.00 0.00 C ATOM 485 C SER A 33 0.104 -4.586 -2.311 1.00 0.00 C ATOM 486 O SER A 33 0.088 -4.149 -1.162 1.00 0.00 O ATOM 487 CB SER A 33 2.382 -5.275 -3.241 1.00 0.00 C ATOM 488 OG SER A 33 3.241 -5.118 -4.368 1.00 0.00 O ATOM 0 H SER A 33 1.621 -2.668 -1.976 1.00 0.00 H new ATOM 0 HA SER A 33 0.844 -4.232 -4.274 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.958 -5.172 -2.321 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.956 -6.278 -3.239 1.00 0.00 H new ATOM 0 HG SER A 33 3.067 -4.253 -4.794 1.00 0.00 H new ATOM 494 N CYS A 34 -0.847 -5.338 -2.795 1.00 0.00 N ATOM 495 CA CYS A 34 -2.083 -5.585 -2.078 1.00 0.00 C ATOM 496 C CYS A 34 -1.978 -6.745 -1.086 1.00 0.00 C ATOM 497 O CYS A 34 -1.329 -7.754 -1.358 1.00 0.00 O ATOM 498 CB CYS A 34 -3.180 -5.859 -3.078 1.00 0.00 C ATOM 499 SG CYS A 34 -3.320 -4.593 -4.400 1.00 0.00 S ATOM 0 H CYS A 34 -0.793 -5.802 -3.702 1.00 0.00 H new ATOM 0 HA CYS A 34 -2.308 -4.695 -1.490 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.004 -6.831 -3.538 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.131 -5.924 -2.550 1.00 0.00 H new ATOM 504 N ASP A 35 -2.628 -6.570 0.054 1.00 0.00 N ATOM 505 CA ASP A 35 -2.648 -7.531 1.157 1.00 0.00 C ATOM 506 C ASP A 35 -4.021 -7.380 1.891 1.00 0.00 C ATOM 507 O ASP A 35 -4.904 -6.636 1.402 1.00 0.00 O ATOM 508 CB ASP A 35 -1.456 -7.236 2.054 1.00 0.00 C ATOM 509 CG ASP A 35 -1.211 -8.200 3.186 1.00 0.00 C ATOM 510 OD1 ASP A 35 -0.453 -9.157 3.006 1.00 0.00 O ATOM 511 OD2 ASP A 35 -1.674 -7.938 4.310 1.00 0.00 O ATOM 0 H ASP A 35 -3.174 -5.731 0.248 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.560 -8.565 0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.561 -7.205 1.433 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -1.585 -6.240 2.476 1.00 0.00 H new ATOM 516 N PHE A 36 -4.231 -8.032 3.024 1.00 0.00 N ATOM 517 CA PHE A 36 -5.528 -8.037 3.656 1.00 0.00 C ATOM 518 C PHE A 36 -5.409 -7.733 5.162 1.00 0.00 C ATOM 519 O PHE A 36 -4.618 -8.339 5.861 1.00 0.00 O ATOM 520 CB PHE A 36 -6.137 -9.442 3.459 1.00 0.00 C ATOM 521 CG PHE A 36 -7.602 -9.643 3.829 1.00 0.00 C ATOM 522 CD1 PHE A 36 -8.100 -9.335 5.091 1.00 0.00 C ATOM 523 CD2 PHE A 36 -8.456 -10.217 2.911 1.00 0.00 C ATOM 524 CE1 PHE A 36 -9.419 -9.595 5.417 1.00 0.00 C ATOM 525 CE2 PHE A 36 -9.779 -10.468 3.223 1.00 0.00 C ATOM 526 CZ PHE A 36 -10.260 -10.158 4.479 1.00 0.00 C ATOM 0 H PHE A 36 -3.515 -8.563 3.520 1.00 0.00 H new ATOM 0 HA PHE A 36 -6.159 -7.268 3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.017 -9.715 2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -5.545 -10.148 4.042 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.448 -8.887 5.826 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.084 -10.475 1.930 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.790 -9.358 6.403 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.435 -10.906 2.485 1.00 0.00 H new ATOM 0 HZ PHE A 36 -11.292 -10.356 4.727 1.00 0.00 H new ATOM 536 N HIS A 37 -6.175 -6.755 5.632 1.00 0.00 N ATOM 537 CA HIS A 37 -6.365 -6.541 7.068 1.00 0.00 C ATOM 538 C HIS A 37 -7.742 -5.968 7.279 1.00 0.00 C ATOM 539 O HIS A 37 -8.090 -5.515 8.356 1.00 0.00 O ATOM 540 CB HIS A 37 -5.278 -5.633 7.711 1.00 0.00 C ATOM 541 CG HIS A 37 -5.324 -4.149 7.472 1.00 0.00 C ATOM 542 ND1 HIS A 37 -4.399 -3.501 6.740 1.00 0.00 N ATOM 543 CD2 HIS A 37 -6.122 -3.204 7.946 1.00 0.00 C ATOM 544 CE1 HIS A 37 -4.630 -2.224 6.765 1.00 0.00 C ATOM 545 NE2 HIS A 37 -5.675 -2.002 7.504 1.00 0.00 N ATOM 0 H HIS A 37 -6.678 -6.094 5.040 1.00 0.00 H new ATOM 0 HA HIS A 37 -6.264 -7.503 7.570 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -5.313 -5.793 8.789 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.307 -5.990 7.367 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -3.630 -3.947 6.240 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -6.983 -3.364 8.578 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.049 -1.470 6.255 1.00 0.00 H new ATOM 554 N VAL A 38 -8.513 -6.007 6.230 1.00 0.00 N ATOM 555 CA VAL A 38 -9.820 -5.410 6.183 1.00 0.00 C ATOM 556 C VAL A 38 -10.687 -6.224 5.288 1.00 0.00 C ATOM 557 O VAL A 38 -10.170 -6.909 4.415 1.00 0.00 O ATOM 558 CB VAL A 38 -9.792 -3.944 5.633 1.00 0.00 C ATOM 559 CG1 VAL A 38 -9.358 -2.952 6.698 1.00 0.00 C ATOM 560 CG2 VAL A 38 -8.839 -3.858 4.436 1.00 0.00 C ATOM 0 H VAL A 38 -8.244 -6.467 5.360 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.202 -5.381 7.203 1.00 0.00 H new ATOM 0 HB VAL A 38 -10.805 -3.686 5.324 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.351 -1.946 6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.054 -2.990 7.536 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.357 -3.206 7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.823 -2.836 4.057 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -7.835 -4.145 4.749 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -9.180 -4.532 3.650 1.00 0.00 H new ATOM 570 N ALA A 39 -11.982 -6.140 5.496 1.00 0.00 N ATOM 571 CA ALA A 39 -12.949 -6.834 4.677 1.00 0.00 C ATOM 572 C ALA A 39 -13.015 -6.166 3.322 1.00 0.00 C ATOM 573 O ALA A 39 -13.777 -5.232 3.097 1.00 0.00 O ATOM 574 CB ALA A 39 -14.318 -6.871 5.349 1.00 0.00 C ATOM 0 H ALA A 39 -12.396 -5.584 6.244 1.00 0.00 H new ATOM 0 HA ALA A 39 -12.635 -7.870 4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -15.024 -7.400 4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -14.240 -7.387 6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -14.670 -5.853 5.514 1.00 0.00 H new ATOM 580 N GLY A 40 -12.120 -6.581 2.501 1.00 0.00 N ATOM 581 CA GLY A 40 -11.965 -6.070 1.202 1.00 0.00 C ATOM 582 C GLY A 40 -10.558 -6.324 0.774 1.00 0.00 C ATOM 583 O GLY A 40 -10.016 -7.392 1.052 1.00 0.00 O ATOM 0 H GLY A 40 -11.452 -7.316 2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.665 -6.550 0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.183 -5.002 1.184 1.00 0.00 H new ATOM 587 N ARG A 41 -9.935 -5.360 0.149 1.00 0.00 N ATOM 588 CA ARG A 41 -8.569 -5.517 -0.301 1.00 0.00 C ATOM 589 C ARG A 41 -7.764 -4.288 0.000 1.00 0.00 C ATOM 590 O ARG A 41 -8.052 -3.211 -0.513 1.00 0.00 O ATOM 591 CB ARG A 41 -8.508 -5.897 -1.781 1.00 0.00 C ATOM 592 CG ARG A 41 -8.938 -7.313 -2.005 1.00 0.00 C ATOM 593 CD ARG A 41 -8.867 -7.802 -3.443 1.00 0.00 C ATOM 594 NE ARG A 41 -7.484 -7.945 -3.921 1.00 0.00 N ATOM 595 CZ ARG A 41 -6.977 -9.007 -4.572 1.00 0.00 C ATOM 596 NH1 ARG A 41 -7.712 -10.114 -4.740 1.00 0.00 N ATOM 597 NH2 ARG A 41 -5.731 -8.959 -5.045 1.00 0.00 N ATOM 0 H ARG A 41 -10.350 -4.453 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.122 -6.343 0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -9.147 -5.227 -2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.491 -5.762 -2.150 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.319 -7.964 -1.388 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.964 -7.422 -1.653 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.377 -8.762 -3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -9.401 -7.104 -4.088 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.850 -7.166 -3.742 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.663 -10.155 -4.373 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.321 -10.916 -5.235 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.167 -8.119 -4.912 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -5.342 -9.762 -5.539 1.00 0.00 H new ATOM 611 N LYS A 42 -6.731 -4.456 0.789 1.00 0.00 N ATOM 612 CA LYS A 42 -5.968 -3.341 1.278 1.00 0.00 C ATOM 613 C LYS A 42 -4.641 -3.235 0.565 1.00 0.00 C ATOM 614 O LYS A 42 -4.059 -4.216 0.152 1.00 0.00 O ATOM 615 CB LYS A 42 -5.779 -3.450 2.814 1.00 0.00 C ATOM 616 CG LYS A 42 -5.063 -2.276 3.495 1.00 0.00 C ATOM 617 CD LYS A 42 -5.732 -0.918 3.241 1.00 0.00 C ATOM 618 CE LYS A 42 -5.162 0.161 4.162 1.00 0.00 C ATOM 619 NZ LYS A 42 -5.615 1.549 3.785 1.00 0.00 N ATOM 0 H LYS A 42 -6.399 -5.366 1.107 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.522 -2.426 1.069 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.761 -3.564 3.272 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.220 -4.361 3.026 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.025 -2.458 4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.032 -2.236 3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.585 -0.626 2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.807 -1.004 3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.462 -0.048 5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.073 0.119 4.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.785 2.162 3.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.155 1.509 2.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -6.218 1.934 4.540 1.00 0.00 H new ATOM 633 N CYS A 43 -4.223 -2.038 0.390 1.00 0.00 N ATOM 634 CA CYS A 43 -2.971 -1.726 -0.209 1.00 0.00 C ATOM 635 C CYS A 43 -1.936 -1.595 0.881 1.00 0.00 C ATOM 636 O CYS A 43 -2.254 -1.122 2.012 1.00 0.00 O ATOM 637 CB CYS A 43 -3.132 -0.408 -0.944 1.00 0.00 C ATOM 638 SG CYS A 43 -1.673 0.272 -1.752 1.00 0.00 S ATOM 0 H CYS A 43 -4.758 -1.216 0.668 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.654 -2.503 -0.905 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -3.907 -0.536 -1.700 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -3.499 0.332 -0.233 1.00 0.00 H new ATOM 643 N TYR A 44 -0.760 -2.080 0.608 1.00 0.00 N ATOM 644 CA TYR A 44 0.352 -1.922 1.470 1.00 0.00 C ATOM 645 C TYR A 44 1.504 -1.441 0.679 1.00 0.00 C ATOM 646 O TYR A 44 1.739 -1.875 -0.441 1.00 0.00 O ATOM 647 CB TYR A 44 0.749 -3.201 2.147 1.00 0.00 C ATOM 648 CG TYR A 44 -0.157 -3.681 3.232 1.00 0.00 C ATOM 649 CD1 TYR A 44 0.236 -3.626 4.557 1.00 0.00 C ATOM 650 CD2 TYR A 44 -1.364 -4.243 2.941 1.00 0.00 C ATOM 651 CE1 TYR A 44 -0.554 -4.138 5.545 1.00 0.00 C ATOM 652 CE2 TYR A 44 -2.169 -4.737 3.924 1.00 0.00 C ATOM 653 CZ TYR A 44 -1.757 -4.690 5.214 1.00 0.00 C ATOM 654 OH TYR A 44 -2.531 -5.245 6.173 1.00 0.00 O ATOM 0 H TYR A 44 -0.553 -2.606 -0.241 1.00 0.00 H new ATOM 0 HA TYR A 44 0.063 -1.210 2.243 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.820 -3.982 1.390 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.747 -3.071 2.566 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.182 -3.171 4.813 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.689 -4.298 1.912 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.231 -4.107 6.575 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.130 -5.163 3.676 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.211 -4.963 7.055 1.00 0.00 H new ATOM 664 N CYS A 45 2.207 -0.594 1.250 1.00 0.00 N ATOM 665 CA CYS A 45 3.327 -0.020 0.664 1.00 0.00 C ATOM 666 C CYS A 45 4.543 -0.772 1.105 1.00 0.00 C ATOM 667 O CYS A 45 4.707 -1.080 2.291 1.00 0.00 O ATOM 668 CB CYS A 45 3.393 1.413 1.089 1.00 0.00 C ATOM 669 SG CYS A 45 1.897 2.359 0.695 1.00 0.00 S ATOM 0 H CYS A 45 2.017 -0.254 2.193 1.00 0.00 H new ATOM 0 HA CYS A 45 3.273 -0.065 -0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 45 3.567 1.456 2.164 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.249 1.886 0.608 1.00 0.00 H new ATOM 674 N TYR A 46 5.381 -1.080 0.174 1.00 0.00 N ATOM 675 CA TYR A 46 6.550 -1.834 0.453 1.00 0.00 C ATOM 676 C TYR A 46 7.757 -0.972 0.381 1.00 0.00 C ATOM 677 O TYR A 46 7.913 -0.172 -0.543 1.00 0.00 O ATOM 678 CB TYR A 46 6.679 -3.044 -0.461 1.00 0.00 C ATOM 679 CG TYR A 46 5.718 -4.179 -0.167 1.00 0.00 C ATOM 680 CD1 TYR A 46 6.196 -5.373 0.325 1.00 0.00 C ATOM 681 CD2 TYR A 46 4.349 -4.064 -0.380 1.00 0.00 C ATOM 682 CE1 TYR A 46 5.361 -6.424 0.593 1.00 0.00 C ATOM 683 CE2 TYR A 46 3.501 -5.102 -0.108 1.00 0.00 C ATOM 684 CZ TYR A 46 4.011 -6.287 0.376 1.00 0.00 C ATOM 685 OH TYR A 46 3.168 -7.344 0.630 1.00 0.00 O ATOM 0 H TYR A 46 5.272 -0.814 -0.805 1.00 0.00 H new ATOM 0 HA TYR A 46 6.461 -2.215 1.470 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.529 -2.719 -1.491 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.698 -3.425 -0.392 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.255 -5.483 0.504 1.00 0.00 H new ATOM 0 HD2 TYR A 46 3.948 -3.139 -0.767 1.00 0.00 H new ATOM 0 HE1 TYR A 46 5.760 -7.353 0.972 1.00 0.00 H new ATOM 0 HE2 TYR A 46 2.439 -4.994 -0.271 1.00 0.00 H new ATOM 0 HH TYR A 46 2.246 -7.083 0.426 1.00 0.00 H new ATOM 695 N LYS A 47 8.590 -1.113 1.362 1.00 0.00 N ATOM 696 CA LYS A 47 9.799 -0.361 1.443 1.00 0.00 C ATOM 697 C LYS A 47 10.925 -1.229 1.962 1.00 0.00 C ATOM 698 O LYS A 47 10.734 -2.008 2.908 1.00 0.00 O ATOM 699 CB LYS A 47 9.625 0.941 2.264 1.00 0.00 C ATOM 700 CG LYS A 47 8.910 0.786 3.604 1.00 0.00 C ATOM 701 CD LYS A 47 8.852 2.117 4.346 1.00 0.00 C ATOM 702 CE LYS A 47 7.978 2.039 5.593 1.00 0.00 C ATOM 703 NZ LYS A 47 8.440 1.015 6.557 1.00 0.00 N ATOM 0 H LYS A 47 8.448 -1.761 2.137 1.00 0.00 H new ATOM 0 HA LYS A 47 10.066 -0.040 0.436 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.611 1.369 2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.072 1.660 1.659 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.899 0.412 3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.429 0.047 4.214 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.861 2.419 4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.464 2.887 3.679 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.965 3.013 6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 47 6.952 1.817 5.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.755 0.234 6.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.367 0.650 6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.523 1.441 7.502 1.00 0.00 H new ATOM 717 N PRO A 48 12.080 -1.153 1.321 1.00 0.00 N ATOM 718 CA PRO A 48 13.243 -1.941 1.692 1.00 0.00 C ATOM 719 C PRO A 48 13.856 -1.497 3.014 1.00 0.00 C ATOM 720 O PRO A 48 14.255 -0.348 3.197 1.00 0.00 O ATOM 721 CB PRO A 48 14.223 -1.705 0.535 1.00 0.00 C ATOM 722 CG PRO A 48 13.837 -0.380 -0.024 1.00 0.00 C ATOM 723 CD PRO A 48 12.352 -0.277 0.160 1.00 0.00 C ATOM 0 HA PRO A 48 12.987 -2.990 1.842 1.00 0.00 H new ATOM 0 HB2 PRO A 48 15.255 -1.701 0.885 1.00 0.00 H new ATOM 0 HB3 PRO A 48 14.144 -2.490 -0.217 1.00 0.00 H new ATOM 0 HG2 PRO A 48 14.352 0.429 0.494 1.00 0.00 H new ATOM 0 HG3 PRO A 48 14.107 -0.306 -1.078 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.043 0.750 0.353 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.815 -0.611 -0.728 1.00 0.00 H new ATOM 731 N CYS A 49 13.845 -2.392 3.916 1.00 0.00 N ATOM 732 CA CYS A 49 14.505 -2.265 5.175 1.00 0.00 C ATOM 733 C CYS A 49 15.558 -3.348 5.206 1.00 0.00 C ATOM 734 O CYS A 49 15.491 -4.230 4.361 1.00 0.00 O ATOM 735 CB CYS A 49 13.468 -2.387 6.300 1.00 0.00 C ATOM 736 SG CYS A 49 12.155 -3.617 5.985 1.00 0.00 S ATOM 0 H CYS A 49 13.356 -3.280 3.805 1.00 0.00 H new ATOM 0 HA CYS A 49 14.987 -1.298 5.316 1.00 0.00 H new ATOM 0 HB2 CYS A 49 13.982 -2.651 7.224 1.00 0.00 H new ATOM 0 HB3 CYS A 49 13.006 -1.413 6.459 1.00 0.00 H new ATOM 741 N PRO A 50 16.581 -3.271 6.067 1.00 0.00 N ATOM 742 CA PRO A 50 17.612 -4.321 6.149 1.00 0.00 C ATOM 743 C PRO A 50 17.000 -5.677 6.512 1.00 0.00 C ATOM 744 O PRO A 50 16.809 -6.534 5.603 1.00 0.00 O ATOM 745 CB PRO A 50 18.555 -3.826 7.264 1.00 0.00 C ATOM 746 CG PRO A 50 17.779 -2.788 8.005 1.00 0.00 C ATOM 747 CD PRO A 50 16.851 -2.169 7.005 1.00 0.00 C ATOM 748 OXT PRO A 50 16.629 -5.862 7.676 1.00 0.00 O ATOM 0 HA PRO A 50 18.124 -4.476 5.199 1.00 0.00 H new ATOM 0 HB2 PRO A 50 18.848 -4.643 7.923 1.00 0.00 H new ATOM 0 HB3 PRO A 50 19.472 -3.409 6.847 1.00 0.00 H new ATOM 0 HG2 PRO A 50 17.222 -3.233 8.830 1.00 0.00 H new ATOM 0 HG3 PRO A 50 18.443 -2.039 8.436 1.00 0.00 H new ATOM 0 HD2 PRO A 50 15.936 -1.807 7.475 1.00 0.00 H new ATOM 0 HD3 PRO A 50 17.310 -1.317 6.503 1.00 0.00 H new TER 756 PRO A 50