USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 261 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 4 ASN : amide:sc= -0.555 K(o=-0.56,f=-1.9) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 162:sc=-0.00559 (180deg=-0.514) USER MOD Single : A 27 LYS NZ :NH3+ 133:sc= -2.84! (180deg=-5.52!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.19 K(o=-0.19,f=-0.96) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 3 2.186 5.040 3.402 1.00 0.00 N ATOM 40 CA ILE A 3 2.806 4.511 4.651 1.00 0.00 C ATOM 41 C ILE A 3 4.277 4.170 4.401 1.00 0.00 C ATOM 42 O ILE A 3 4.634 3.628 3.372 1.00 0.00 O ATOM 43 CB ILE A 3 2.008 3.255 5.002 1.00 0.00 C ATOM 44 CG1 ILE A 3 1.826 2.393 3.752 1.00 0.00 C ATOM 45 CG2 ILE A 3 0.636 3.656 5.545 1.00 0.00 C ATOM 46 CD1 ILE A 3 1.228 1.041 4.147 1.00 0.00 C ATOM 0 HA ILE A 3 2.781 5.237 5.463 1.00 0.00 H new ATOM 0 HB ILE A 3 2.549 2.686 5.759 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.172 2.898 3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.785 2.247 3.255 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.068 2.760 5.795 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.763 4.267 6.439 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.098 4.228 4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.098 0.426 3.256 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.899 0.536 4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.261 1.197 4.625 1.00 0.00 H new ATOM 58 N ASN A 4 5.131 4.493 5.333 1.00 0.00 N ATOM 59 CA ASN A 4 6.584 4.202 5.159 1.00 0.00 C ATOM 60 C ASN A 4 6.834 2.692 5.086 1.00 0.00 C ATOM 61 O ASN A 4 7.935 2.253 4.818 1.00 0.00 O ATOM 62 CB ASN A 4 7.248 4.789 6.403 1.00 0.00 C ATOM 63 CG ASN A 4 6.555 4.246 7.653 1.00 0.00 C ATOM 64 OD1 ASN A 4 6.652 3.073 7.955 1.00 0.00 O ATOM 65 ND2 ASN A 4 5.851 5.055 8.397 1.00 0.00 N ATOM 0 H ASN A 4 4.885 4.948 6.212 1.00 0.00 H new ATOM 0 HA ASN A 4 6.977 4.627 4.235 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.307 4.531 6.420 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.186 5.877 6.383 1.00 0.00 H new ATOM 0 HD21 ASN A 4 5.382 4.703 9.232 1.00 0.00 H new ATOM 0 HD22 ASN A 4 5.769 6.040 8.144 1.00 0.00 H new ATOM 72 N ALA A 5 5.829 1.894 5.329 1.00 0.00 N ATOM 73 CA ALA A 5 6.022 0.415 5.277 1.00 0.00 C ATOM 74 C ALA A 5 6.903 0.032 4.083 1.00 0.00 C ATOM 75 O ALA A 5 6.524 0.195 2.940 1.00 0.00 O ATOM 76 CB ALA A 5 4.615 -0.161 5.112 1.00 0.00 C ATOM 0 H ALA A 5 4.884 2.201 5.561 1.00 0.00 H new ATOM 0 HA ALA A 5 6.519 0.034 6.169 1.00 0.00 H new ATOM 0 HB1 ALA A 5 4.670 -1.249 5.065 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.999 0.135 5.961 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.172 0.220 4.192 1.00 0.00 H new ATOM 82 N LYS A 6 8.079 -0.475 4.341 1.00 0.00 N ATOM 83 CA LYS A 6 8.988 -0.868 3.223 1.00 0.00 C ATOM 84 C LYS A 6 8.446 -2.104 2.503 1.00 0.00 C ATOM 85 O LYS A 6 8.890 -3.212 2.729 1.00 0.00 O ATOM 86 CB LYS A 6 10.324 -1.189 3.894 1.00 0.00 C ATOM 87 CG LYS A 6 11.288 -0.013 3.721 1.00 0.00 C ATOM 88 CD LYS A 6 12.524 -0.475 2.946 1.00 0.00 C ATOM 89 CE LYS A 6 13.772 0.201 3.520 1.00 0.00 C ATOM 90 NZ LYS A 6 14.172 -0.646 4.679 1.00 0.00 N ATOM 0 H LYS A 6 8.450 -0.634 5.278 1.00 0.00 H new ATOM 0 HA LYS A 6 9.081 -0.080 2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.170 -1.391 4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.754 -2.090 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 6 10.795 0.800 3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.582 0.377 4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 6 12.623 -1.559 3.011 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.417 -0.227 1.890 1.00 0.00 H new ATOM 0 HE2 LYS A 6 14.568 0.255 2.778 1.00 0.00 H new ATOM 0 HE3 LYS A 6 13.558 1.223 3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 15.022 -0.245 5.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 13.398 -0.673 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 14.376 -1.611 4.350 1.00 0.00 H new ATOM 104 N CYS A 7 7.490 -1.924 1.633 1.00 0.00 N ATOM 105 CA CYS A 7 6.924 -3.091 0.896 1.00 0.00 C ATOM 106 C CYS A 7 7.902 -3.553 -0.187 1.00 0.00 C ATOM 107 O CYS A 7 8.905 -2.915 -0.441 1.00 0.00 O ATOM 108 CB CYS A 7 5.625 -2.580 0.268 1.00 0.00 C ATOM 109 SG CYS A 7 5.975 -1.124 -0.750 1.00 0.00 S ATOM 0 H CYS A 7 7.076 -1.021 1.400 1.00 0.00 H new ATOM 0 HA CYS A 7 6.746 -3.945 1.550 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.172 -3.362 -0.341 1.00 0.00 H new ATOM 0 HB3 CYS A 7 4.907 -2.327 1.048 1.00 0.00 H new ATOM 114 N ARG A 8 7.626 -4.660 -0.822 1.00 0.00 N ATOM 115 CA ARG A 8 8.551 -5.159 -1.882 1.00 0.00 C ATOM 116 C ARG A 8 7.775 -5.550 -3.144 1.00 0.00 C ATOM 117 O ARG A 8 8.297 -5.504 -4.240 1.00 0.00 O ATOM 118 CB ARG A 8 9.226 -6.385 -1.268 1.00 0.00 C ATOM 119 CG ARG A 8 10.244 -5.934 -0.221 1.00 0.00 C ATOM 120 CD ARG A 8 11.466 -6.853 -0.269 1.00 0.00 C ATOM 121 NE ARG A 8 12.556 -6.075 0.385 1.00 0.00 N ATOM 122 CZ ARG A 8 13.503 -5.546 -0.340 1.00 0.00 C ATOM 123 NH1 ARG A 8 13.340 -4.363 -0.863 1.00 0.00 N ATOM 124 NH2 ARG A 8 14.612 -6.203 -0.542 1.00 0.00 N ATOM 0 H ARG A 8 6.803 -5.239 -0.654 1.00 0.00 H new ATOM 0 HA ARG A 8 9.271 -4.399 -2.185 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.479 -7.033 -0.809 1.00 0.00 H new ATOM 0 HB3 ARG A 8 9.721 -6.968 -2.045 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.543 -4.903 -0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.796 -5.959 0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 8 11.278 -7.789 0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 8 11.726 -7.111 -1.295 1.00 0.00 H new ATOM 0 HE ARG A 8 12.562 -5.956 1.398 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.472 -3.851 -0.705 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.080 -3.950 -1.430 1.00 0.00 H new ATOM 0 HH21 ARG A 8 14.738 -7.129 -0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.353 -5.791 -1.109 1.00 0.00 H new ATOM 138 N GLY A 9 6.537 -5.939 -3.004 1.00 0.00 N ATOM 139 CA GLY A 9 5.744 -6.335 -4.202 1.00 0.00 C ATOM 140 C GLY A 9 4.528 -5.417 -4.346 1.00 0.00 C ATOM 141 O GLY A 9 3.909 -5.034 -3.374 1.00 0.00 O ATOM 0 H GLY A 9 6.042 -6.000 -2.114 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.364 -6.275 -5.096 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.420 -7.371 -4.108 1.00 0.00 H new ATOM 145 N SER A 10 4.184 -5.063 -5.553 1.00 0.00 N ATOM 146 CA SER A 10 3.007 -4.172 -5.762 1.00 0.00 C ATOM 147 C SER A 10 1.724 -4.830 -5.230 1.00 0.00 C ATOM 148 O SER A 10 1.010 -4.230 -4.451 1.00 0.00 O ATOM 149 CB SER A 10 2.926 -3.967 -7.275 1.00 0.00 C ATOM 150 OG SER A 10 3.409 -2.670 -7.600 1.00 0.00 O ATOM 0 H SER A 10 4.666 -5.352 -6.404 1.00 0.00 H new ATOM 0 HA SER A 10 3.111 -3.227 -5.229 1.00 0.00 H new ATOM 0 HB2 SER A 10 3.516 -4.726 -7.789 1.00 0.00 H new ATOM 0 HB3 SER A 10 1.896 -4.080 -7.614 1.00 0.00 H new ATOM 0 HG SER A 10 3.360 -2.536 -8.570 1.00 0.00 H new ATOM 156 N PRO A 11 1.463 -6.042 -5.663 1.00 0.00 N ATOM 157 CA PRO A 11 0.248 -6.766 -5.211 1.00 0.00 C ATOM 158 C PRO A 11 0.282 -6.999 -3.696 1.00 0.00 C ATOM 159 O PRO A 11 -0.733 -6.959 -3.030 1.00 0.00 O ATOM 160 CB PRO A 11 0.342 -8.093 -5.969 1.00 0.00 C ATOM 161 CG PRO A 11 1.618 -8.082 -6.831 1.00 0.00 C ATOM 162 CD PRO A 11 2.351 -6.751 -6.617 1.00 0.00 C ATOM 0 HA PRO A 11 -0.676 -6.222 -5.404 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.367 -8.927 -5.268 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.537 -8.232 -6.598 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.264 -8.916 -6.558 1.00 0.00 H new ATOM 0 HG3 PRO A 11 1.363 -8.207 -7.883 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.350 -6.900 -6.207 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.468 -6.198 -7.549 1.00 0.00 H new ATOM 170 N GLU A 12 1.442 -7.244 -3.148 1.00 0.00 N ATOM 171 CA GLU A 12 1.534 -7.481 -1.677 1.00 0.00 C ATOM 172 C GLU A 12 1.081 -6.235 -0.910 1.00 0.00 C ATOM 173 O GLU A 12 0.621 -6.318 0.215 1.00 0.00 O ATOM 174 CB GLU A 12 3.013 -7.767 -1.413 1.00 0.00 C ATOM 175 CG GLU A 12 3.282 -9.263 -1.582 1.00 0.00 C ATOM 176 CD GLU A 12 4.445 -9.677 -0.680 1.00 0.00 C ATOM 177 OE1 GLU A 12 5.317 -8.855 -0.455 1.00 0.00 O ATOM 178 OE2 GLU A 12 4.444 -10.810 -0.227 1.00 0.00 O ATOM 0 H GLU A 12 2.327 -7.290 -3.653 1.00 0.00 H new ATOM 0 HA GLU A 12 0.896 -8.302 -1.351 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.634 -7.195 -2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.281 -7.450 -0.405 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.389 -9.835 -1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.518 -9.486 -2.623 1.00 0.00 H new ATOM 185 N CYS A 13 1.199 -5.082 -1.507 1.00 0.00 N ATOM 186 CA CYS A 13 0.769 -3.837 -0.808 1.00 0.00 C ATOM 187 C CYS A 13 -0.753 -3.830 -0.640 1.00 0.00 C ATOM 188 O CYS A 13 -1.271 -3.405 0.373 1.00 0.00 O ATOM 189 CB CYS A 13 1.219 -2.690 -1.717 1.00 0.00 C ATOM 190 SG CYS A 13 2.280 -1.558 -0.780 1.00 0.00 S ATOM 0 H CYS A 13 1.573 -4.947 -2.446 1.00 0.00 H new ATOM 0 HA CYS A 13 1.200 -3.752 0.190 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.760 -3.084 -2.577 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.351 -2.156 -2.104 1.00 0.00 H new ATOM 195 N LEU A 14 -1.476 -4.306 -1.621 1.00 0.00 N ATOM 196 CA LEU A 14 -2.961 -4.328 -1.500 1.00 0.00 C ATOM 197 C LEU A 14 -3.361 -4.842 -0.111 1.00 0.00 C ATOM 198 O LEU A 14 -4.021 -4.142 0.631 1.00 0.00 O ATOM 199 CB LEU A 14 -3.444 -5.274 -2.600 1.00 0.00 C ATOM 200 CG LEU A 14 -4.274 -4.491 -3.618 1.00 0.00 C ATOM 201 CD1 LEU A 14 -3.375 -3.502 -4.361 1.00 0.00 C ATOM 202 CD2 LEU A 14 -4.896 -5.464 -4.623 1.00 0.00 C ATOM 0 H LEU A 14 -1.103 -4.678 -2.495 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.404 -3.338 -1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.591 -5.741 -3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.042 -6.076 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.062 -3.946 -3.099 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.968 -2.945 -5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.929 -2.809 -3.648 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.586 -4.046 -4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.488 -4.908 -5.350 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.105 -6.008 -5.140 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.538 -6.170 -4.096 1.00 0.00 H new ATOM 214 N PRO A 15 -2.936 -6.042 0.214 1.00 0.00 N ATOM 215 CA PRO A 15 -3.252 -6.618 1.542 1.00 0.00 C ATOM 216 C PRO A 15 -2.726 -5.696 2.646 1.00 0.00 C ATOM 217 O PRO A 15 -3.466 -5.256 3.505 1.00 0.00 O ATOM 218 CB PRO A 15 -2.500 -7.952 1.522 1.00 0.00 C ATOM 219 CG PRO A 15 -1.778 -8.091 0.168 1.00 0.00 C ATOM 220 CD PRO A 15 -2.129 -6.880 -0.706 1.00 0.00 C ATOM 0 HA PRO A 15 -4.318 -6.740 1.734 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -1.781 -7.993 2.340 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.194 -8.780 1.667 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.700 -8.148 0.319 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.079 -9.014 -0.327 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.237 -6.358 -1.053 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.694 -7.169 -1.592 1.00 0.00 H new ATOM 228 N LYS A 16 -1.457 -5.386 2.622 1.00 0.00 N ATOM 229 CA LYS A 16 -0.904 -4.478 3.666 1.00 0.00 C ATOM 230 C LYS A 16 -1.744 -3.201 3.720 1.00 0.00 C ATOM 231 O LYS A 16 -2.023 -2.671 4.778 1.00 0.00 O ATOM 232 CB LYS A 16 0.525 -4.172 3.216 1.00 0.00 C ATOM 233 CG LYS A 16 1.467 -5.261 3.737 1.00 0.00 C ATOM 234 CD LYS A 16 1.620 -5.122 5.253 1.00 0.00 C ATOM 235 CE LYS A 16 2.403 -3.847 5.575 1.00 0.00 C ATOM 236 NZ LYS A 16 2.456 -3.794 7.063 1.00 0.00 N ATOM 0 H LYS A 16 -0.785 -5.719 1.931 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.919 -4.920 4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.573 -4.124 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.835 -3.197 3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.073 -6.247 3.490 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.440 -5.177 3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.639 -5.087 5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.138 -5.991 5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.404 -3.879 5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.909 -2.966 5.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.978 -2.946 7.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.489 -3.757 7.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.938 -4.642 7.424 1.00 0.00 H new ATOM 250 N CYS A 17 -2.164 -2.711 2.583 1.00 0.00 N ATOM 251 CA CYS A 17 -3.003 -1.480 2.569 1.00 0.00 C ATOM 252 C CYS A 17 -4.367 -1.788 3.188 1.00 0.00 C ATOM 253 O CYS A 17 -4.891 -1.026 3.977 1.00 0.00 O ATOM 254 CB CYS A 17 -3.153 -1.111 1.091 1.00 0.00 C ATOM 255 SG CYS A 17 -3.961 0.502 0.949 1.00 0.00 S ATOM 0 H CYS A 17 -1.962 -3.110 1.666 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.560 -0.664 3.141 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.175 -1.083 0.611 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.740 -1.870 0.574 1.00 0.00 H new ATOM 260 N LYS A 18 -4.940 -2.910 2.843 1.00 0.00 N ATOM 261 CA LYS A 18 -6.264 -3.283 3.416 1.00 0.00 C ATOM 262 C LYS A 18 -6.189 -3.262 4.945 1.00 0.00 C ATOM 263 O LYS A 18 -7.179 -3.081 5.625 1.00 0.00 O ATOM 264 CB LYS A 18 -6.530 -4.700 2.904 1.00 0.00 C ATOM 265 CG LYS A 18 -7.702 -5.313 3.674 1.00 0.00 C ATOM 266 CD LYS A 18 -8.804 -5.707 2.690 1.00 0.00 C ATOM 267 CE LYS A 18 -10.057 -6.120 3.465 1.00 0.00 C ATOM 268 NZ LYS A 18 -10.934 -4.916 3.442 1.00 0.00 N ATOM 0 H LYS A 18 -4.547 -3.585 2.187 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.058 -2.595 3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.755 -4.676 1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.639 -5.315 3.028 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.367 -6.188 4.232 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.087 -4.599 4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -9.032 -4.871 2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.466 -6.529 2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.547 -6.975 2.998 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.812 -6.411 4.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.816 -5.119 3.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.444 -4.121 3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.155 -4.667 2.457 1.00 0.00 H new ATOM 282 N GLU A 19 -5.016 -3.442 5.489 1.00 0.00 N ATOM 283 CA GLU A 19 -4.870 -3.428 6.973 1.00 0.00 C ATOM 284 C GLU A 19 -4.441 -2.033 7.439 1.00 0.00 C ATOM 285 O GLU A 19 -4.625 -1.665 8.583 1.00 0.00 O ATOM 286 CB GLU A 19 -3.775 -4.453 7.273 1.00 0.00 C ATOM 287 CG GLU A 19 -3.899 -4.923 8.723 1.00 0.00 C ATOM 288 CD GLU A 19 -4.686 -6.233 8.772 1.00 0.00 C ATOM 289 OE1 GLU A 19 -4.628 -6.972 7.803 1.00 0.00 O ATOM 290 OE2 GLU A 19 -5.333 -6.476 9.777 1.00 0.00 O ATOM 0 H GLU A 19 -4.152 -3.598 4.970 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.801 -3.668 7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.862 -5.303 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.793 -4.011 7.106 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.909 -5.066 9.156 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.402 -4.163 9.321 1.00 0.00 H new ATOM 297 N ALA A 20 -3.870 -1.257 6.559 1.00 0.00 N ATOM 298 CA ALA A 20 -3.426 0.114 6.943 1.00 0.00 C ATOM 299 C ALA A 20 -4.580 1.109 6.793 1.00 0.00 C ATOM 300 O ALA A 20 -4.798 1.952 7.640 1.00 0.00 O ATOM 301 CB ALA A 20 -2.300 0.447 5.964 1.00 0.00 C ATOM 0 H ALA A 20 -3.691 -1.514 5.588 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.098 0.168 7.981 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.915 1.444 6.178 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.497 -0.283 6.071 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.684 0.417 4.944 1.00 0.00 H new ATOM 307 N ILE A 21 -5.320 1.020 5.722 1.00 0.00 N ATOM 308 CA ILE A 21 -6.458 1.964 5.526 1.00 0.00 C ATOM 309 C ILE A 21 -7.786 1.204 5.573 1.00 0.00 C ATOM 310 O ILE A 21 -8.789 1.717 6.028 1.00 0.00 O ATOM 311 CB ILE A 21 -6.236 2.575 4.141 1.00 0.00 C ATOM 312 CG1 ILE A 21 -7.166 3.778 3.963 1.00 0.00 C ATOM 313 CG2 ILE A 21 -6.543 1.534 3.063 1.00 0.00 C ATOM 314 CD1 ILE A 21 -6.988 4.358 2.559 1.00 0.00 C ATOM 0 H ILE A 21 -5.187 0.337 4.976 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.500 2.727 6.303 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.198 2.895 4.049 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.202 3.475 4.114 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.943 4.537 4.713 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.384 1.973 2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.884 0.675 3.189 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -7.580 1.212 3.153 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.650 5.214 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.954 4.676 2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.233 3.598 1.817 1.00 0.00 H new ATOM 326 N GLY A 22 -7.799 -0.016 5.109 1.00 0.00 N ATOM 327 CA GLY A 22 -9.064 -0.806 5.129 1.00 0.00 C ATOM 328 C GLY A 22 -9.838 -0.570 3.831 1.00 0.00 C ATOM 329 O GLY A 22 -11.045 -0.433 3.835 1.00 0.00 O ATOM 0 H GLY A 22 -6.991 -0.499 4.718 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.840 -1.867 5.243 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.673 -0.515 5.985 1.00 0.00 H new ATOM 333 N LYS A 23 -9.155 -0.519 2.720 1.00 0.00 N ATOM 334 CA LYS A 23 -9.859 -0.288 1.426 1.00 0.00 C ATOM 335 C LYS A 23 -9.272 -1.177 0.325 1.00 0.00 C ATOM 336 O LYS A 23 -9.652 -1.082 -0.825 1.00 0.00 O ATOM 337 CB LYS A 23 -9.623 1.187 1.107 1.00 0.00 C ATOM 338 CG LYS A 23 -10.846 2.002 1.534 1.00 0.00 C ATOM 339 CD LYS A 23 -10.650 2.514 2.962 1.00 0.00 C ATOM 340 CE LYS A 23 -11.654 3.632 3.249 1.00 0.00 C ATOM 341 NZ LYS A 23 -12.990 2.980 3.165 1.00 0.00 N ATOM 0 H LYS A 23 -8.143 -0.627 2.652 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.920 -0.530 1.489 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.734 1.545 1.627 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.442 1.315 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.992 2.841 0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.743 1.386 1.478 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.785 1.699 3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.633 2.883 3.090 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.489 4.068 4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.563 4.440 2.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.698 3.578 3.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.252 2.854 2.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.954 2.052 3.633 1.00 0.00 H new ATOM 355 N ALA A 24 -8.354 -2.041 0.666 1.00 0.00 N ATOM 356 CA ALA A 24 -7.745 -2.937 -0.361 1.00 0.00 C ATOM 357 C ALA A 24 -7.498 -2.169 -1.661 1.00 0.00 C ATOM 358 O ALA A 24 -7.803 -2.640 -2.739 1.00 0.00 O ATOM 359 CB ALA A 24 -8.776 -4.044 -0.583 1.00 0.00 C ATOM 0 H ALA A 24 -7.998 -2.166 1.614 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.781 -3.333 -0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.401 -4.746 -1.328 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.953 -4.570 0.355 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.710 -3.606 -0.935 1.00 0.00 H new ATOM 365 N ALA A 25 -6.951 -0.990 -1.568 1.00 0.00 N ATOM 366 CA ALA A 25 -6.687 -0.195 -2.802 1.00 0.00 C ATOM 367 C ALA A 25 -5.383 0.592 -2.653 1.00 0.00 C ATOM 368 O ALA A 25 -5.381 1.736 -2.247 1.00 0.00 O ATOM 369 CB ALA A 25 -7.877 0.757 -2.922 1.00 0.00 C ATOM 0 H ALA A 25 -6.675 -0.542 -0.694 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.579 -0.825 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.757 1.379 -3.809 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.798 0.180 -3.005 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.926 1.392 -2.037 1.00 0.00 H new ATOM 375 N GLY A 26 -4.272 -0.009 -2.982 1.00 0.00 N ATOM 376 CA GLY A 26 -2.975 0.713 -2.858 1.00 0.00 C ATOM 377 C GLY A 26 -1.900 -0.005 -3.675 1.00 0.00 C ATOM 378 O GLY A 26 -2.135 -1.050 -4.250 1.00 0.00 O ATOM 0 H GLY A 26 -4.207 -0.966 -3.330 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.085 1.739 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.675 0.764 -1.811 1.00 0.00 H new ATOM 382 N LYS A 27 -0.718 0.546 -3.728 1.00 0.00 N ATOM 383 CA LYS A 27 0.376 -0.103 -4.507 1.00 0.00 C ATOM 384 C LYS A 27 1.708 0.058 -3.766 1.00 0.00 C ATOM 385 O LYS A 27 1.786 0.721 -2.751 1.00 0.00 O ATOM 386 CB LYS A 27 0.410 0.636 -5.848 1.00 0.00 C ATOM 387 CG LYS A 27 -1.021 0.891 -6.334 1.00 0.00 C ATOM 388 CD LYS A 27 -1.020 1.107 -7.848 1.00 0.00 C ATOM 389 CE LYS A 27 -0.124 2.298 -8.192 1.00 0.00 C ATOM 390 NZ LYS A 27 1.255 1.737 -8.269 1.00 0.00 N ATOM 0 H LYS A 27 -0.462 1.418 -3.265 1.00 0.00 H new ATOM 0 HA LYS A 27 0.211 -1.172 -4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.941 1.581 -5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.955 0.047 -6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.659 0.045 -6.078 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.435 1.766 -5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.662 0.210 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.035 1.288 -8.201 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.418 2.752 -9.138 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.192 3.075 -7.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.722 2.081 -9.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.800 2.039 -7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.206 0.698 -8.293 1.00 0.00 H new ATOM 404 N CYS A 28 2.755 -0.541 -4.263 1.00 0.00 N ATOM 405 CA CYS A 28 4.075 -0.418 -3.578 1.00 0.00 C ATOM 406 C CYS A 28 5.086 0.276 -4.494 1.00 0.00 C ATOM 407 O CYS A 28 5.399 -0.204 -5.566 1.00 0.00 O ATOM 408 CB CYS A 28 4.511 -1.858 -3.296 1.00 0.00 C ATOM 409 SG CYS A 28 6.191 -1.862 -2.619 1.00 0.00 S ATOM 0 H CYS A 28 2.755 -1.109 -5.111 1.00 0.00 H new ATOM 0 HA CYS A 28 4.012 0.177 -2.667 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.823 -2.326 -2.592 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.476 -2.446 -4.213 1.00 0.00 H new ATOM 414 N MET A 29 5.601 1.401 -4.081 1.00 0.00 N ATOM 415 CA MET A 29 6.591 2.123 -4.930 1.00 0.00 C ATOM 416 C MET A 29 7.560 2.922 -4.054 1.00 0.00 C ATOM 417 O MET A 29 7.221 3.355 -2.970 1.00 0.00 O ATOM 418 CB MET A 29 5.753 3.060 -5.799 1.00 0.00 C ATOM 419 CG MET A 29 6.274 3.025 -7.237 1.00 0.00 C ATOM 420 SD MET A 29 5.293 4.149 -8.263 1.00 0.00 S ATOM 421 CE MET A 29 6.586 5.381 -8.552 1.00 0.00 C ATOM 0 H MET A 29 5.380 1.852 -3.193 1.00 0.00 H new ATOM 0 HA MET A 29 7.197 1.443 -5.529 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.706 2.758 -5.773 1.00 0.00 H new ATOM 0 HB3 MET A 29 5.802 4.076 -5.408 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.324 3.316 -7.262 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.215 2.011 -7.632 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.192 6.183 -9.176 1.00 0.00 H new ATOM 0 HE2 MET A 29 6.916 5.793 -7.598 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.430 4.911 -9.056 1.00 0.00 H new ATOM 431 N ASN A 30 8.763 3.123 -4.519 1.00 0.00 N ATOM 432 CA ASN A 30 9.754 3.896 -3.718 1.00 0.00 C ATOM 433 C ASN A 30 9.950 3.252 -2.343 1.00 0.00 C ATOM 434 O ASN A 30 10.449 3.869 -1.423 1.00 0.00 O ATOM 435 CB ASN A 30 9.142 5.291 -3.577 1.00 0.00 C ATOM 436 CG ASN A 30 10.128 6.338 -4.101 1.00 0.00 C ATOM 437 OD1 ASN A 30 10.859 6.085 -5.039 1.00 0.00 O ATOM 438 ND2 ASN A 30 10.179 7.511 -3.533 1.00 0.00 N ATOM 0 H ASN A 30 9.102 2.785 -5.420 1.00 0.00 H new ATOM 0 HA ASN A 30 10.735 3.925 -4.192 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.206 5.347 -4.133 1.00 0.00 H new ATOM 0 HB3 ASN A 30 8.904 5.491 -2.532 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.832 8.216 -3.876 1.00 0.00 H new ATOM 0 HD22 ASN A 30 9.566 7.724 -2.746 1.00 0.00 H new ATOM 445 N GLY A 31 9.565 2.013 -2.197 1.00 0.00 N ATOM 446 CA GLY A 31 9.734 1.327 -0.883 1.00 0.00 C ATOM 447 C GLY A 31 8.590 1.718 0.055 1.00 0.00 C ATOM 448 O GLY A 31 8.690 1.587 1.259 1.00 0.00 O ATOM 0 H GLY A 31 9.141 1.446 -2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.747 0.246 -1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.691 1.602 -0.439 1.00 0.00 H new ATOM 452 N LYS A 32 7.502 2.193 -0.486 1.00 0.00 N ATOM 453 CA LYS A 32 6.351 2.590 0.378 1.00 0.00 C ATOM 454 C LYS A 32 5.037 2.108 -0.243 1.00 0.00 C ATOM 455 O LYS A 32 5.001 1.669 -1.375 1.00 0.00 O ATOM 456 CB LYS A 32 6.396 4.119 0.419 1.00 0.00 C ATOM 457 CG LYS A 32 7.076 4.575 1.710 1.00 0.00 C ATOM 458 CD LYS A 32 8.061 5.702 1.397 1.00 0.00 C ATOM 459 CE LYS A 32 9.493 5.190 1.569 1.00 0.00 C ATOM 460 NZ LYS A 32 10.342 6.414 1.559 1.00 0.00 N ATOM 0 H LYS A 32 7.359 2.324 -1.487 1.00 0.00 H new ATOM 0 HA LYS A 32 6.411 2.154 1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.940 4.501 -0.445 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.386 4.525 0.365 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.329 4.919 2.425 1.00 0.00 H new ATOM 0 HG3 LYS A 32 7.599 3.738 2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.911 6.058 0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.884 6.549 2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.606 4.639 2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.769 4.511 0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.340 6.145 1.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.219 6.915 0.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.061 7.038 2.342 1.00 0.00 H new ATOM 474 N CYS A 33 3.957 2.186 0.487 1.00 0.00 N ATOM 475 CA CYS A 33 2.651 1.729 -0.070 1.00 0.00 C ATOM 476 C CYS A 33 1.753 2.929 -0.373 1.00 0.00 C ATOM 477 O CYS A 33 1.490 3.755 0.480 1.00 0.00 O ATOM 478 CB CYS A 33 2.025 0.863 1.022 1.00 0.00 C ATOM 479 SG CYS A 33 0.986 -0.412 0.264 1.00 0.00 S ATOM 0 H CYS A 33 3.922 2.545 1.441 1.00 0.00 H new ATOM 0 HA CYS A 33 2.778 1.180 -1.003 1.00 0.00 H new ATOM 0 HB2 CYS A 33 2.806 0.399 1.625 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.429 1.481 1.693 1.00 0.00 H new ATOM 484 N LYS A 34 1.277 3.030 -1.584 1.00 0.00 N ATOM 485 CA LYS A 34 0.391 4.173 -1.946 1.00 0.00 C ATOM 486 C LYS A 34 -1.075 3.766 -1.789 1.00 0.00 C ATOM 487 O LYS A 34 -1.632 3.090 -2.630 1.00 0.00 O ATOM 488 CB LYS A 34 0.700 4.475 -3.416 1.00 0.00 C ATOM 489 CG LYS A 34 2.212 4.427 -3.656 1.00 0.00 C ATOM 490 CD LYS A 34 2.487 4.440 -5.162 1.00 0.00 C ATOM 491 CE LYS A 34 3.256 5.710 -5.533 1.00 0.00 C ATOM 492 NZ LYS A 34 2.625 6.187 -6.795 1.00 0.00 N ATOM 0 H LYS A 34 1.463 2.370 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 34 0.560 5.041 -1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.199 3.750 -4.057 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.313 5.458 -3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.695 5.280 -3.179 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.635 3.529 -3.205 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.063 3.559 -5.444 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.548 4.397 -5.714 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.182 6.461 -4.746 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.316 5.502 -5.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.099 7.056 -7.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.717 5.455 -7.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.618 6.384 -6.627 1.00 0.00 H new ATOM 506 N CYS A 35 -1.707 4.166 -0.719 1.00 0.00 N ATOM 507 CA CYS A 35 -3.137 3.791 -0.519 1.00 0.00 C ATOM 508 C CYS A 35 -4.052 4.968 -0.875 1.00 0.00 C ATOM 509 O CYS A 35 -3.743 6.112 -0.609 1.00 0.00 O ATOM 510 CB CYS A 35 -3.250 3.447 0.966 1.00 0.00 C ATOM 511 SG CYS A 35 -2.478 1.837 1.270 1.00 0.00 S ATOM 0 H CYS A 35 -1.297 4.734 0.023 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.439 2.958 -1.154 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -2.763 4.215 1.567 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.297 3.423 1.267 1.00 0.00 H new ATOM 516 N TYR A 36 -5.175 4.693 -1.479 1.00 0.00 N ATOM 517 CA TYR A 36 -6.114 5.789 -1.859 1.00 0.00 C ATOM 518 C TYR A 36 -7.566 5.320 -1.677 1.00 0.00 C ATOM 519 O TYR A 36 -7.812 4.147 -1.480 1.00 0.00 O ATOM 520 CB TYR A 36 -5.824 6.059 -3.338 1.00 0.00 C ATOM 521 CG TYR A 36 -4.912 7.257 -3.477 1.00 0.00 C ATOM 522 CD1 TYR A 36 -5.114 8.392 -2.682 1.00 0.00 C ATOM 523 CD2 TYR A 36 -3.866 7.233 -4.408 1.00 0.00 C ATOM 524 CE1 TYR A 36 -4.270 9.502 -2.819 1.00 0.00 C ATOM 525 CE2 TYR A 36 -3.023 8.342 -4.545 1.00 0.00 C ATOM 526 CZ TYR A 36 -3.225 9.477 -3.750 1.00 0.00 C ATOM 527 OH TYR A 36 -2.395 10.570 -3.885 1.00 0.00 O ATOM 0 H TYR A 36 -5.485 3.753 -1.727 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.983 6.681 -1.246 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.359 5.184 -3.791 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.757 6.238 -3.873 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.920 8.412 -1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.710 6.358 -5.021 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.426 10.377 -2.206 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.217 8.322 -5.264 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.722 10.387 -4.574 1.00 0.00 H new ATOM 537 N PRO A 37 -8.486 6.252 -1.754 1.00 0.00 N ATOM 538 CA PRO A 37 -9.922 5.917 -1.600 1.00 0.00 C ATOM 539 C PRO A 37 -10.362 4.930 -2.685 1.00 0.00 C ATOM 540 O PRO A 37 -11.103 4.016 -2.361 1.00 0.00 O ATOM 541 CB PRO A 37 -10.608 7.275 -1.782 1.00 0.00 C ATOM 542 CG PRO A 37 -9.527 8.345 -2.032 1.00 0.00 C ATOM 543 CD PRO A 37 -8.148 7.673 -1.993 1.00 0.00 C ATOM 544 OXT PRO A 37 -9.951 5.106 -3.820 1.00 0.00 O ATOM 0 HA PRO A 37 -10.160 5.440 -0.650 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.304 7.238 -2.620 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.190 7.526 -0.895 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.686 8.824 -2.998 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -9.587 9.127 -1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.605 7.808 -2.928 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.522 8.079 -1.199 1.00 0.00 H new