USER MOD reduce.3.24.130724 H: found=0, std=0, add=239, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 240 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 30 GLN :FLIP amide:sc= -1.01 F(o=-5!,f=-1.9) USER MOD Set 1.2: A 32 HIS :FLIP no HE2:sc= -0.848 F(o=-2.4,f=-1.9) USER MOD Set 2.1: A 26 ASN : amide:sc= -0.033 X(o=0.048,f=0.048) USER MOD Set 2.2: A 28 SER OG : rot 180:sc= 0.0807 USER MOD Single : A 12 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000804) USER MOD Single : A 15 ASN : amide:sc= -0.519 X(o=-0.52,f=-0.52) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.117 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.028 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0.214 K(o=0.21,f=-11!) USER MOD Single : A 24 HIS : no HD1:sc= 1.19 K(o=1.2,f=-4.2!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.065) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0695 USER MOD ----------------------------------------------------------------- ATOM 49 N LEU A 5 -8.184 -9.118 -9.168 1.00 0.00 N ATOM 50 CA LEU A 5 -7.563 -9.141 -7.851 1.00 0.00 C ATOM 51 C LEU A 5 -7.881 -10.456 -7.145 1.00 0.00 C ATOM 52 O LEU A 5 -9.044 -10.857 -7.072 1.00 0.00 O ATOM 53 CB LEU A 5 -8.059 -7.956 -7.016 1.00 0.00 C ATOM 54 CG LEU A 5 -6.982 -7.236 -6.201 1.00 0.00 C ATOM 55 CD1 LEU A 5 -5.894 -6.684 -7.114 1.00 0.00 C ATOM 56 CD2 LEU A 5 -7.608 -6.122 -5.372 1.00 0.00 C ATOM 0 HA LEU A 5 -6.482 -9.059 -7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -8.530 -7.234 -7.683 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.831 -8.311 -6.334 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.520 -7.954 -5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.139 -6.176 -6.514 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -5.430 -7.503 -7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.334 -5.977 -7.818 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.832 -5.617 -4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -8.094 -5.405 -6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.347 -6.546 -4.692 1.00 0.00 H new ATOM 68 N PRO A 6 -6.853 -11.148 -6.627 1.00 0.00 N ATOM 69 CA PRO A 6 -7.022 -12.429 -5.931 1.00 0.00 C ATOM 70 C PRO A 6 -7.757 -12.274 -4.597 1.00 0.00 C ATOM 71 O PRO A 6 -7.832 -11.174 -4.042 1.00 0.00 O ATOM 72 CB PRO A 6 -5.582 -12.914 -5.699 1.00 0.00 C ATOM 73 CG PRO A 6 -4.728 -12.061 -6.576 1.00 0.00 C ATOM 74 CD PRO A 6 -5.442 -10.749 -6.689 1.00 0.00 C ATOM 0 HA PRO A 6 -7.627 -13.126 -6.511 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.297 -12.810 -4.652 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -5.477 -13.968 -5.955 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -3.735 -11.930 -6.147 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -4.594 -12.519 -7.556 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -5.176 -10.071 -5.878 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -5.206 -10.238 -7.622 1.00 0.00 H new ATOM 82 N PRO A 7 -8.322 -13.373 -4.072 1.00 0.00 N ATOM 83 CA PRO A 7 -9.057 -13.365 -2.803 1.00 0.00 C ATOM 84 C PRO A 7 -8.156 -13.012 -1.624 1.00 0.00 C ATOM 85 O PRO A 7 -7.110 -13.633 -1.417 1.00 0.00 O ATOM 86 CB PRO A 7 -9.576 -14.805 -2.670 1.00 0.00 C ATOM 87 CG PRO A 7 -9.472 -15.383 -4.039 1.00 0.00 C ATOM 88 CD PRO A 7 -8.293 -14.712 -4.673 1.00 0.00 C ATOM 0 HA PRO A 7 -9.850 -12.617 -2.797 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -8.981 -15.374 -1.956 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -10.605 -14.822 -2.312 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -9.333 -16.463 -3.998 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.381 -15.200 -4.611 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -7.362 -15.235 -4.452 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -8.386 -14.671 -5.758 1.00 0.00 H new ATOM 96 N GLY A 8 -8.566 -12.017 -0.856 1.00 0.00 N ATOM 97 CA GLY A 8 -7.770 -11.567 0.264 1.00 0.00 C ATOM 98 C GLY A 8 -7.127 -10.228 -0.014 1.00 0.00 C ATOM 99 O GLY A 8 -6.689 -9.544 0.904 1.00 0.00 O ATOM 0 H GLY A 8 -9.441 -11.510 -0.989 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -8.399 -11.492 1.151 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.997 -12.304 0.482 1.00 0.00 H new ATOM 103 N TRP A 9 -7.082 -9.845 -1.282 1.00 0.00 N ATOM 104 CA TRP A 9 -6.498 -8.572 -1.674 1.00 0.00 C ATOM 105 C TRP A 9 -7.546 -7.466 -1.641 1.00 0.00 C ATOM 106 O TRP A 9 -8.596 -7.573 -2.280 1.00 0.00 O ATOM 107 CB TRP A 9 -5.889 -8.678 -3.073 1.00 0.00 C ATOM 108 CG TRP A 9 -4.562 -9.364 -3.088 1.00 0.00 C ATOM 109 CD1 TRP A 9 -4.325 -10.686 -3.315 1.00 0.00 C ATOM 110 CD2 TRP A 9 -3.289 -8.759 -2.857 1.00 0.00 C ATOM 111 NE1 TRP A 9 -2.973 -10.939 -3.250 1.00 0.00 N ATOM 112 CE2 TRP A 9 -2.317 -9.768 -2.962 1.00 0.00 C ATOM 113 CE3 TRP A 9 -2.879 -7.457 -2.569 1.00 0.00 C ATOM 114 CZ2 TRP A 9 -0.954 -9.510 -2.789 1.00 0.00 C ATOM 115 CZ3 TRP A 9 -1.535 -7.204 -2.397 1.00 0.00 C ATOM 116 CH2 TRP A 9 -0.586 -8.224 -2.507 1.00 0.00 C ATOM 0 H TRP A 9 -7.444 -10.400 -2.058 1.00 0.00 H new ATOM 0 HA TRP A 9 -5.710 -8.322 -0.963 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -6.578 -9.219 -3.722 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -5.778 -7.677 -3.490 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -5.085 -11.426 -3.516 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -2.531 -11.847 -3.392 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -3.603 -6.660 -2.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -0.219 -10.297 -2.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.209 -6.199 -2.173 1.00 0.00 H new ATOM 0 HH2 TRP A 9 0.459 -7.992 -2.366 1.00 0.00 H new ATOM 127 N GLU A 10 -7.264 -6.411 -0.892 1.00 0.00 N ATOM 128 CA GLU A 10 -8.188 -5.300 -0.764 1.00 0.00 C ATOM 129 C GLU A 10 -7.626 -4.055 -1.442 1.00 0.00 C ATOM 130 O GLU A 10 -6.470 -3.693 -1.231 1.00 0.00 O ATOM 131 CB GLU A 10 -8.464 -5.018 0.714 1.00 0.00 C ATOM 132 CG GLU A 10 -9.726 -4.214 0.958 1.00 0.00 C ATOM 133 CD GLU A 10 -9.818 -3.682 2.374 1.00 0.00 C ATOM 134 OE1 GLU A 10 -8.936 -4.005 3.195 1.00 0.00 O ATOM 135 OE2 GLU A 10 -10.785 -2.943 2.672 1.00 0.00 O ATOM 0 H GLU A 10 -6.399 -6.303 -0.363 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.124 -5.566 -1.255 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.539 -5.966 1.247 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.615 -4.481 1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -9.761 -3.379 0.258 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.595 -4.839 0.752 1.00 0.00 H new ATOM 142 N GLU A 11 -8.440 -3.416 -2.270 1.00 0.00 N ATOM 143 CA GLU A 11 -8.043 -2.179 -2.921 1.00 0.00 C ATOM 144 C GLU A 11 -8.333 -1.005 -2.001 1.00 0.00 C ATOM 145 O GLU A 11 -9.490 -0.721 -1.689 1.00 0.00 O ATOM 146 CB GLU A 11 -8.781 -2.007 -4.245 1.00 0.00 C ATOM 147 CG GLU A 11 -8.140 -0.988 -5.171 1.00 0.00 C ATOM 148 CD GLU A 11 -9.157 -0.104 -5.864 1.00 0.00 C ATOM 149 OE1 GLU A 11 -9.891 0.632 -5.172 1.00 0.00 O ATOM 150 OE2 GLU A 11 -9.226 -0.138 -7.111 1.00 0.00 O ATOM 0 H GLU A 11 -9.380 -3.735 -2.506 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.974 -2.217 -3.130 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.826 -2.970 -4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.809 -1.705 -4.042 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.453 -0.364 -4.598 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.546 -1.509 -5.922 1.00 0.00 H new ATOM 157 N LYS A 12 -7.288 -0.327 -1.570 1.00 0.00 N ATOM 158 CA LYS A 12 -7.432 0.739 -0.596 1.00 0.00 C ATOM 159 C LYS A 12 -6.675 1.986 -1.020 1.00 0.00 C ATOM 160 O LYS A 12 -5.539 1.907 -1.478 1.00 0.00 O ATOM 161 CB LYS A 12 -6.916 0.277 0.766 1.00 0.00 C ATOM 162 CG LYS A 12 -7.987 -0.324 1.657 1.00 0.00 C ATOM 163 CD LYS A 12 -7.424 -0.752 3.004 1.00 0.00 C ATOM 164 CE LYS A 12 -7.082 0.446 3.878 1.00 0.00 C ATOM 165 NZ LYS A 12 -8.291 1.060 4.487 1.00 0.00 N ATOM 0 H LYS A 12 -6.330 -0.494 -1.878 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.492 0.984 -0.529 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.128 -0.460 0.614 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.464 1.126 1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.783 0.404 1.810 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.434 -1.185 1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.150 -1.382 3.518 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.530 -1.356 2.849 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.398 0.134 4.667 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.559 1.193 3.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -8.009 1.861 5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.925 1.397 3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.786 0.352 5.066 1.00 0.00 H new ATOM 179 N VAL A 13 -7.312 3.135 -0.876 1.00 0.00 N ATOM 180 CA VAL A 13 -6.622 4.403 -1.026 1.00 0.00 C ATOM 181 C VAL A 13 -6.074 4.814 0.334 1.00 0.00 C ATOM 182 O VAL A 13 -6.795 4.765 1.335 1.00 0.00 O ATOM 183 CB VAL A 13 -7.555 5.501 -1.593 1.00 0.00 C ATOM 184 CG1 VAL A 13 -7.168 6.888 -1.094 1.00 0.00 C ATOM 185 CG2 VAL A 13 -7.544 5.469 -3.111 1.00 0.00 C ATOM 0 H VAL A 13 -8.305 3.215 -0.656 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.808 4.284 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 13 -8.563 5.291 -1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.847 7.629 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.232 6.914 -0.006 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.148 7.114 -1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.204 6.246 -3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.530 5.643 -3.471 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.890 4.495 -3.457 1.00 0.00 H new ATOM 195 N ASP A 14 -4.805 5.193 0.374 1.00 0.00 N ATOM 196 CA ASP A 14 -4.138 5.493 1.635 1.00 0.00 C ATOM 197 C ASP A 14 -4.817 6.651 2.372 1.00 0.00 C ATOM 198 O ASP A 14 -5.449 6.443 3.408 1.00 0.00 O ATOM 199 CB ASP A 14 -2.637 5.763 1.410 1.00 0.00 C ATOM 200 CG ASP A 14 -2.329 7.062 0.675 1.00 0.00 C ATOM 201 OD1 ASP A 14 -3.099 7.447 -0.243 1.00 0.00 O ATOM 202 OD2 ASP A 14 -1.328 7.713 1.024 1.00 0.00 O ATOM 0 H ASP A 14 -4.216 5.300 -0.451 1.00 0.00 H new ATOM 0 HA ASP A 14 -4.226 4.616 2.276 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.135 5.781 2.378 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.212 4.932 0.846 1.00 0.00 H new ATOM 207 N ASN A 15 -4.711 7.850 1.823 1.00 0.00 N ATOM 208 CA ASN A 15 -5.241 9.053 2.450 1.00 0.00 C ATOM 209 C ASN A 15 -5.474 10.118 1.392 1.00 0.00 C ATOM 210 O ASN A 15 -6.540 10.736 1.335 1.00 0.00 O ATOM 211 CB ASN A 15 -4.260 9.610 3.492 1.00 0.00 C ATOM 212 CG ASN A 15 -4.114 8.732 4.722 1.00 0.00 C ATOM 213 OD1 ASN A 15 -4.978 8.722 5.600 1.00 0.00 O ATOM 214 ND2 ASN A 15 -3.017 7.992 4.798 1.00 0.00 N ATOM 0 H ASN A 15 -4.254 8.018 0.927 1.00 0.00 H new ATOM 0 HA ASN A 15 -6.177 8.791 2.944 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.282 9.735 3.027 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -4.595 10.600 3.801 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.865 7.386 5.605 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.325 8.028 4.050 1.00 0.00 H new ATOM 221 N LEU A 16 -4.465 10.322 0.552 1.00 0.00 N ATOM 222 CA LEU A 16 -4.505 11.370 -0.457 1.00 0.00 C ATOM 223 C LEU A 16 -4.904 10.815 -1.818 1.00 0.00 C ATOM 224 O LEU A 16 -5.528 11.510 -2.619 1.00 0.00 O ATOM 225 CB LEU A 16 -3.145 12.066 -0.555 1.00 0.00 C ATOM 226 CG LEU A 16 -1.958 11.138 -0.825 1.00 0.00 C ATOM 227 CD1 LEU A 16 -1.014 11.765 -1.839 1.00 0.00 C ATOM 228 CD2 LEU A 16 -1.222 10.827 0.469 1.00 0.00 C ATOM 0 H LEU A 16 -3.606 9.772 0.552 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.259 12.096 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.192 12.811 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.962 12.604 0.375 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.336 10.203 -1.239 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.175 11.093 -2.020 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.547 11.939 -2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.642 12.713 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.381 10.166 0.259 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.854 11.753 0.910 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.903 10.338 1.166 1.00 0.00 H new ATOM 240 N GLY A 17 -4.539 9.568 -2.090 1.00 0.00 N ATOM 241 CA GLY A 17 -4.923 8.967 -3.350 1.00 0.00 C ATOM 242 C GLY A 17 -3.866 8.061 -3.941 1.00 0.00 C ATOM 243 O GLY A 17 -3.759 7.949 -5.163 1.00 0.00 O ATOM 0 H GLY A 17 -3.992 8.971 -1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.839 8.394 -3.205 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -5.151 9.758 -4.065 1.00 0.00 H new ATOM 247 N ARG A 18 -3.077 7.413 -3.100 1.00 0.00 N ATOM 248 CA ARG A 18 -2.157 6.400 -3.587 1.00 0.00 C ATOM 249 C ARG A 18 -2.820 5.041 -3.448 1.00 0.00 C ATOM 250 O ARG A 18 -2.653 4.352 -2.443 1.00 0.00 O ATOM 251 CB ARG A 18 -0.814 6.441 -2.846 1.00 0.00 C ATOM 252 CG ARG A 18 -0.588 7.731 -2.070 1.00 0.00 C ATOM 253 CD ARG A 18 0.878 8.116 -2.025 1.00 0.00 C ATOM 254 NE ARG A 18 1.439 8.305 -3.362 1.00 0.00 N ATOM 255 CZ ARG A 18 2.594 7.781 -3.759 1.00 0.00 C ATOM 256 NH1 ARG A 18 3.349 7.092 -2.912 1.00 0.00 N ATOM 257 NH2 ARG A 18 3.002 7.946 -5.010 1.00 0.00 N ATOM 0 H ARG A 18 -3.054 7.567 -2.092 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.933 6.597 -4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.762 5.598 -2.157 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.006 6.314 -3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.161 8.536 -2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.964 7.613 -1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.993 9.035 -1.451 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.440 7.341 -1.503 1.00 0.00 H new ATOM 0 HE ARG A 18 0.914 8.871 -4.028 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.044 6.961 -1.947 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.234 6.693 -3.226 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.429 8.475 -5.668 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.888 7.544 -5.315 1.00 0.00 H new ATOM 271 N THR A 19 -3.617 4.700 -4.449 1.00 0.00 N ATOM 272 CA THR A 19 -4.379 3.465 -4.448 1.00 0.00 C ATOM 273 C THR A 19 -3.465 2.253 -4.407 1.00 0.00 C ATOM 274 O THR A 19 -2.763 1.954 -5.374 1.00 0.00 O ATOM 275 CB THR A 19 -5.272 3.375 -5.693 1.00 0.00 C ATOM 276 OG1 THR A 19 -5.451 4.684 -6.259 1.00 0.00 O ATOM 277 CG2 THR A 19 -6.622 2.766 -5.343 1.00 0.00 C ATOM 0 H THR A 19 -3.752 5.272 -5.283 1.00 0.00 H new ATOM 0 HA THR A 19 -5.001 3.472 -3.553 1.00 0.00 H new ATOM 0 HB THR A 19 -4.786 2.731 -6.426 1.00 0.00 H new ATOM 0 HG1 THR A 19 -6.020 4.621 -7.054 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.240 2.711 -6.239 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.476 1.763 -4.941 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.119 3.387 -4.597 1.00 0.00 H new ATOM 285 N TYR A 20 -3.466 1.569 -3.282 1.00 0.00 N ATOM 286 CA TYR A 20 -2.656 0.386 -3.128 1.00 0.00 C ATOM 287 C TYR A 20 -3.532 -0.834 -2.940 1.00 0.00 C ATOM 288 O TYR A 20 -4.748 -0.726 -2.771 1.00 0.00 O ATOM 289 CB TYR A 20 -1.682 0.531 -1.955 1.00 0.00 C ATOM 290 CG TYR A 20 -2.332 0.631 -0.594 1.00 0.00 C ATOM 291 CD1 TYR A 20 -2.770 1.850 -0.092 1.00 0.00 C ATOM 292 CD2 TYR A 20 -2.491 -0.496 0.198 1.00 0.00 C ATOM 293 CE1 TYR A 20 -3.347 1.940 1.158 1.00 0.00 C ATOM 294 CE2 TYR A 20 -3.069 -0.413 1.446 1.00 0.00 C ATOM 295 CZ TYR A 20 -3.495 0.804 1.922 1.00 0.00 C ATOM 296 OH TYR A 20 -4.064 0.883 3.170 1.00 0.00 O ATOM 0 H TYR A 20 -4.020 1.815 -2.462 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.070 0.259 -4.038 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.006 -0.324 -1.956 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.072 1.420 -2.116 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.657 2.742 -0.690 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.156 -1.455 -0.169 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -3.681 2.896 1.535 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.187 -1.302 2.048 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.094 -0.010 3.573 1.00 0.00 H new ATOM 306 N TYR A 21 -2.908 -1.989 -2.967 1.00 0.00 N ATOM 307 CA TYR A 21 -3.616 -3.235 -2.797 1.00 0.00 C ATOM 308 C TYR A 21 -3.041 -3.958 -1.599 1.00 0.00 C ATOM 309 O TYR A 21 -1.847 -4.259 -1.564 1.00 0.00 O ATOM 310 CB TYR A 21 -3.504 -4.091 -4.060 1.00 0.00 C ATOM 311 CG TYR A 21 -3.929 -3.366 -5.323 1.00 0.00 C ATOM 312 CD1 TYR A 21 -5.272 -3.259 -5.662 1.00 0.00 C ATOM 313 CD2 TYR A 21 -2.992 -2.779 -6.171 1.00 0.00 C ATOM 314 CE1 TYR A 21 -5.670 -2.597 -6.808 1.00 0.00 C ATOM 315 CE2 TYR A 21 -3.387 -2.114 -7.317 1.00 0.00 C ATOM 316 CZ TYR A 21 -4.724 -2.023 -7.630 1.00 0.00 C ATOM 317 OH TYR A 21 -5.118 -1.361 -8.769 1.00 0.00 O ATOM 0 H TYR A 21 -1.903 -2.091 -3.106 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.675 -3.040 -2.627 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.473 -4.425 -4.172 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.117 -4.984 -3.939 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.018 -3.701 -5.019 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.941 -2.844 -5.929 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.718 -2.530 -7.059 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.648 -1.667 -7.965 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.329 -1.014 -9.235 1.00 0.00 H new ATOM 327 N VAL A 22 -3.876 -4.197 -0.607 1.00 0.00 N ATOM 328 CA VAL A 22 -3.430 -4.816 0.624 1.00 0.00 C ATOM 329 C VAL A 22 -3.966 -6.227 0.751 1.00 0.00 C ATOM 330 O VAL A 22 -5.174 -6.443 0.813 1.00 0.00 O ATOM 331 CB VAL A 22 -3.843 -3.988 1.865 1.00 0.00 C ATOM 332 CG1 VAL A 22 -5.289 -3.522 1.765 1.00 0.00 C ATOM 333 CG2 VAL A 22 -3.617 -4.773 3.152 1.00 0.00 C ATOM 0 H VAL A 22 -4.870 -3.971 -0.631 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.341 -4.852 0.582 1.00 0.00 H new ATOM 0 HB VAL A 22 -3.207 -3.103 1.892 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.547 -2.944 2.652 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.410 -2.900 0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.946 -4.388 1.693 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.916 -4.165 4.006 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -4.212 -5.686 3.130 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.561 -5.029 3.241 1.00 0.00 H new ATOM 343 N ASN A 23 -3.065 -7.189 0.762 1.00 0.00 N ATOM 344 CA ASN A 23 -3.442 -8.559 1.043 1.00 0.00 C ATOM 345 C ASN A 23 -3.842 -8.659 2.508 1.00 0.00 C ATOM 346 O ASN A 23 -3.227 -8.033 3.357 1.00 0.00 O ATOM 347 CB ASN A 23 -2.281 -9.515 0.748 1.00 0.00 C ATOM 348 CG ASN A 23 -2.724 -10.963 0.646 1.00 0.00 C ATOM 349 OD1 ASN A 23 -3.824 -11.323 1.062 1.00 0.00 O ATOM 350 ND2 ASN A 23 -1.864 -11.809 0.103 1.00 0.00 N ATOM 0 H ASN A 23 -2.071 -7.048 0.580 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.279 -8.843 0.405 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.801 -9.220 -0.185 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.532 -9.423 1.534 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.104 -12.797 0.018 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.960 -11.474 -0.231 1.00 0.00 H new ATOM 357 N HIS A 24 -4.883 -9.408 2.807 1.00 0.00 N ATOM 358 CA HIS A 24 -5.304 -9.597 4.187 1.00 0.00 C ATOM 359 C HIS A 24 -4.661 -10.847 4.757 1.00 0.00 C ATOM 360 O HIS A 24 -4.606 -11.040 5.971 1.00 0.00 O ATOM 361 CB HIS A 24 -6.826 -9.699 4.282 1.00 0.00 C ATOM 362 CG HIS A 24 -7.505 -8.372 4.396 1.00 0.00 C ATOM 363 ND1 HIS A 24 -8.688 -8.190 5.070 1.00 0.00 N ATOM 364 CD2 HIS A 24 -7.160 -7.158 3.906 1.00 0.00 C ATOM 365 CE1 HIS A 24 -9.046 -6.923 4.989 1.00 0.00 C ATOM 366 NE2 HIS A 24 -8.136 -6.270 4.286 1.00 0.00 N ATOM 0 H HIS A 24 -5.454 -9.896 2.118 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.983 -8.732 4.767 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -7.204 -10.217 3.401 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -7.088 -10.308 5.147 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -6.280 -6.930 3.324 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -9.935 -6.491 5.425 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -8.156 -5.275 4.064 1.00 0.00 H new ATOM 375 N ASN A 25 -4.161 -11.686 3.864 1.00 0.00 N ATOM 376 CA ASN A 25 -3.519 -12.931 4.255 1.00 0.00 C ATOM 377 C ASN A 25 -2.101 -12.652 4.742 1.00 0.00 C ATOM 378 O ASN A 25 -1.770 -12.884 5.904 1.00 0.00 O ATOM 379 CB ASN A 25 -3.487 -13.899 3.067 1.00 0.00 C ATOM 380 CG ASN A 25 -4.283 -15.162 3.327 1.00 0.00 C ATOM 381 OD1 ASN A 25 -4.108 -15.830 4.347 1.00 0.00 O ATOM 382 ND2 ASN A 25 -5.169 -15.495 2.398 1.00 0.00 N ATOM 0 H ASN A 25 -4.188 -11.526 2.857 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.088 -13.387 5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.884 -13.399 2.184 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.453 -14.164 2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.738 -16.334 2.513 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.281 -14.913 1.568 1.00 0.00 H new ATOM 389 N ASN A 26 -1.276 -12.122 3.845 1.00 0.00 N ATOM 390 CA ASN A 26 0.112 -11.780 4.169 1.00 0.00 C ATOM 391 C ASN A 26 0.208 -10.349 4.694 1.00 0.00 C ATOM 392 O ASN A 26 1.188 -9.972 5.339 1.00 0.00 O ATOM 393 CB ASN A 26 0.993 -11.937 2.922 1.00 0.00 C ATOM 394 CG ASN A 26 2.456 -11.642 3.191 1.00 0.00 C ATOM 395 OD1 ASN A 26 2.924 -10.520 2.992 1.00 0.00 O ATOM 396 ND2 ASN A 26 3.193 -12.647 3.629 1.00 0.00 N ATOM 0 H ASN A 26 -1.543 -11.918 2.882 1.00 0.00 H new ATOM 0 HA ASN A 26 0.462 -12.458 4.947 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.897 -12.954 2.541 1.00 0.00 H new ATOM 0 HB3 ASN A 26 0.631 -11.269 2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.186 -12.508 3.815 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.769 -13.562 3.782 1.00 0.00 H new ATOM 403 N ARG A 27 -0.838 -9.576 4.423 1.00 0.00 N ATOM 404 CA ARG A 27 -0.882 -8.151 4.743 1.00 0.00 C ATOM 405 C ARG A 27 0.238 -7.397 4.035 1.00 0.00 C ATOM 406 O ARG A 27 1.049 -6.712 4.661 1.00 0.00 O ATOM 407 CB ARG A 27 -0.853 -7.891 6.250 1.00 0.00 C ATOM 408 CG ARG A 27 -1.986 -8.564 7.012 1.00 0.00 C ATOM 409 CD ARG A 27 -2.876 -7.548 7.723 1.00 0.00 C ATOM 410 NE ARG A 27 -2.551 -6.164 7.370 1.00 0.00 N ATOM 411 CZ ARG A 27 -3.430 -5.289 6.880 1.00 0.00 C ATOM 412 NH1 ARG A 27 -4.701 -5.628 6.712 1.00 0.00 N ATOM 413 NH2 ARG A 27 -3.035 -4.058 6.579 1.00 0.00 N ATOM 0 H ARG A 27 -1.685 -9.921 3.972 1.00 0.00 H new ATOM 0 HA ARG A 27 -1.836 -7.773 4.376 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.099 -8.239 6.651 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.899 -6.816 6.425 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.588 -9.153 6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.570 -9.257 7.743 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.918 -7.747 7.473 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.777 -7.676 8.801 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.591 -5.849 7.508 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.015 -6.567 6.958 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.364 -4.950 6.336 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.063 -3.785 6.723 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.704 -3.385 6.204 1.00 0.00 H new ATOM 427 N SER A 28 0.281 -7.555 2.722 1.00 0.00 N ATOM 428 CA SER A 28 1.220 -6.829 1.886 1.00 0.00 C ATOM 429 C SER A 28 0.579 -5.538 1.382 1.00 0.00 C ATOM 430 O SER A 28 -0.297 -5.566 0.521 1.00 0.00 O ATOM 431 CB SER A 28 1.641 -7.715 0.715 1.00 0.00 C ATOM 432 OG SER A 28 1.018 -8.991 0.804 1.00 0.00 O ATOM 0 H SER A 28 -0.332 -8.188 2.208 1.00 0.00 H new ATOM 0 HA SER A 28 2.104 -6.567 2.468 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.370 -7.237 -0.226 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.725 -7.833 0.712 1.00 0.00 H new ATOM 0 HG SER A 28 1.297 -9.545 0.045 1.00 0.00 H new ATOM 438 N THR A 29 1.006 -4.415 1.939 1.00 0.00 N ATOM 439 CA THR A 29 0.428 -3.118 1.603 1.00 0.00 C ATOM 440 C THR A 29 1.245 -2.409 0.524 1.00 0.00 C ATOM 441 O THR A 29 1.858 -1.368 0.778 1.00 0.00 O ATOM 442 CB THR A 29 0.356 -2.220 2.854 1.00 0.00 C ATOM 443 OG1 THR A 29 1.354 -2.629 3.798 1.00 0.00 O ATOM 444 CG2 THR A 29 -1.016 -2.296 3.504 1.00 0.00 C ATOM 0 H THR A 29 1.755 -4.374 2.630 1.00 0.00 H new ATOM 0 HA THR A 29 -0.577 -3.297 1.222 1.00 0.00 H new ATOM 0 HB THR A 29 0.535 -1.190 2.546 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.308 -2.056 4.592 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.038 -1.653 4.384 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.774 -1.965 2.794 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.221 -3.324 3.801 1.00 0.00 H new ATOM 452 N GLN A 30 1.249 -2.963 -0.676 1.00 0.00 N ATOM 453 CA GLN A 30 2.060 -2.417 -1.758 1.00 0.00 C ATOM 454 C GLN A 30 1.202 -1.660 -2.775 1.00 0.00 C ATOM 455 O GLN A 30 0.152 -2.148 -3.202 1.00 0.00 O ATOM 456 CB GLN A 30 2.840 -3.537 -2.449 1.00 0.00 C ATOM 457 CG GLN A 30 2.008 -4.763 -2.788 1.00 0.00 C ATOM 458 CD GLN A 30 2.772 -5.738 -3.625 1.00 0.00 C ATOM 459 OE1 GLN A 30 2.259 -6.002 -4.791 1.00 0.00 O flip ATOM 460 NE2 GLN A 30 3.812 -6.252 -3.224 1.00 0.00 N flip ATOM 0 H GLN A 30 0.703 -3.787 -0.928 1.00 0.00 H new ATOM 0 HA GLN A 30 2.764 -1.707 -1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.279 -3.145 -3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.666 -3.840 -1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.685 -5.249 -1.867 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.107 -4.456 -3.319 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.176 -6.014 -2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.312 -6.917 -3.813 1.00 0.00 H new ATOM 469 N TRP A 31 1.654 -0.470 -3.178 1.00 0.00 N ATOM 470 CA TRP A 31 0.905 0.331 -4.147 1.00 0.00 C ATOM 471 C TRP A 31 1.368 0.052 -5.574 1.00 0.00 C ATOM 472 O TRP A 31 0.888 0.677 -6.515 1.00 0.00 O ATOM 473 CB TRP A 31 0.994 1.850 -3.876 1.00 0.00 C ATOM 474 CG TRP A 31 1.834 2.269 -2.702 1.00 0.00 C ATOM 475 CD1 TRP A 31 3.178 2.117 -2.568 1.00 0.00 C ATOM 476 CD2 TRP A 31 1.394 2.956 -1.521 1.00 0.00 C ATOM 477 NE1 TRP A 31 3.601 2.631 -1.369 1.00 0.00 N ATOM 478 CE2 TRP A 31 2.525 3.157 -0.708 1.00 0.00 C ATOM 479 CE3 TRP A 31 0.155 3.414 -1.067 1.00 0.00 C ATOM 480 CZ2 TRP A 31 2.455 3.792 0.529 1.00 0.00 C ATOM 481 CZ3 TRP A 31 0.087 4.048 0.159 1.00 0.00 C ATOM 482 CH2 TRP A 31 1.230 4.231 0.944 1.00 0.00 C ATOM 0 H TRP A 31 2.523 -0.045 -2.853 1.00 0.00 H new ATOM 0 HA TRP A 31 -0.136 0.030 -4.031 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.389 2.334 -4.769 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -0.016 2.231 -3.727 1.00 0.00 H new ATOM 0 HD1 TRP A 31 3.822 1.656 -3.302 1.00 0.00 H new ATOM 0 HE1 TRP A 31 4.562 2.622 -1.026 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.734 3.275 -1.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 3.336 3.932 1.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -0.866 4.409 0.517 1.00 0.00 H new ATOM 0 HH2 TRP A 31 1.142 4.730 1.898 1.00 0.00 H new ATOM 493 N HIS A 32 2.287 -0.892 -5.748 1.00 0.00 N ATOM 494 CA HIS A 32 2.761 -1.224 -7.092 1.00 0.00 C ATOM 495 C HIS A 32 1.986 -2.398 -7.666 1.00 0.00 C ATOM 496 O HIS A 32 2.399 -2.985 -8.666 1.00 0.00 O ATOM 497 CB HIS A 32 4.272 -1.524 -7.137 1.00 0.00 C ATOM 498 CG HIS A 32 4.789 -2.426 -6.062 1.00 0.00 C ATOM 499 ND1 HIS A 32 5.373 -2.141 -4.875 1.00 0.00 N flip ATOM 500 CD2 HIS A 32 4.776 -3.801 -6.161 1.00 0.00 C flip ATOM 501 CE1 HIS A 32 5.699 -3.335 -4.286 1.00 0.00 C flip ATOM 502 NE2 HIS A 32 5.328 -4.318 -5.081 1.00 0.00 N flip ATOM 0 H HIS A 32 2.713 -1.432 -4.995 1.00 0.00 H new ATOM 0 HA HIS A 32 2.586 -0.339 -7.703 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.506 -1.971 -8.103 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.813 -0.579 -7.083 1.00 0.00 H new ATOM 0 HD1 HIS A 32 5.540 -1.211 -4.490 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.377 -4.365 -6.991 1.00 0.00 H new ATOM 0 HE1 HIS A 32 6.181 -3.451 -3.327 1.00 0.00 H new ATOM 511 N ARG A 33 0.866 -2.730 -7.017 1.00 0.00 N ATOM 512 CA ARG A 33 -0.006 -3.828 -7.440 1.00 0.00 C ATOM 513 C ARG A 33 0.681 -5.182 -7.262 1.00 0.00 C ATOM 514 O ARG A 33 1.881 -5.315 -7.499 1.00 0.00 O ATOM 515 CB ARG A 33 -0.451 -3.642 -8.897 1.00 0.00 C ATOM 516 CG ARG A 33 -1.453 -4.682 -9.363 1.00 0.00 C ATOM 517 CD ARG A 33 -2.039 -4.329 -10.717 1.00 0.00 C ATOM 518 NE ARG A 33 -3.398 -4.846 -10.879 1.00 0.00 N ATOM 519 CZ ARG A 33 -3.702 -6.139 -11.030 1.00 0.00 C ATOM 520 NH1 ARG A 33 -2.740 -7.049 -11.152 1.00 0.00 N ATOM 521 NH2 ARG A 33 -4.972 -6.511 -11.109 1.00 0.00 N ATOM 0 H ARG A 33 0.539 -2.244 -6.182 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.890 -3.811 -6.803 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -0.889 -2.651 -9.011 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.426 -3.679 -9.544 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -0.967 -5.656 -9.420 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -2.255 -4.768 -8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -2.047 -3.246 -10.837 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -1.402 -4.732 -11.504 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.166 -4.174 -10.877 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.761 -6.762 -11.131 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.981 -8.033 -11.267 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.713 -5.812 -11.055 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.209 -7.496 -11.224 1.00 0.00 H new ATOM 535 N PRO A 34 -0.056 -6.196 -6.773 1.00 0.00 N ATOM 536 CA PRO A 34 0.453 -7.567 -6.669 1.00 0.00 C ATOM 537 C PRO A 34 0.965 -8.085 -8.009 1.00 0.00 C ATOM 538 O PRO A 34 0.198 -8.577 -8.841 1.00 0.00 O ATOM 539 CB PRO A 34 -0.753 -8.386 -6.197 1.00 0.00 C ATOM 540 CG PRO A 34 -1.939 -7.491 -6.349 1.00 0.00 C ATOM 541 CD PRO A 34 -1.424 -6.085 -6.258 1.00 0.00 C ATOM 0 HA PRO A 34 1.301 -7.632 -5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -0.868 -9.291 -6.793 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.631 -8.700 -5.160 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.434 -7.662 -7.305 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.675 -7.686 -5.569 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.024 -5.397 -6.854 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.440 -5.716 -5.233 1.00 0.00 H new