USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 288 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 TYR N :NH3+ -146:sc= -0.245 (180deg=-1.85!) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.144 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -170:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0243 K(o=-0.024,f=-0.62) USER MOD Single : A 32 THR OG1 : rot 17:sc= 1.27 USER MOD Single : A 34 GLN : amide:sc= -0.0274 K(o=-0.027,f=-0.93) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 -2.365 31.504 -4.649 1.00 0.00 N ATOM 2 CA TYR A 1 -1.746 30.481 -5.533 1.00 0.00 C ATOM 3 C TYR A 1 -2.157 29.061 -5.138 1.00 0.00 C ATOM 4 O TYR A 1 -2.758 28.402 -5.984 1.00 0.00 O ATOM 5 CB TYR A 1 -0.222 30.622 -5.633 1.00 0.00 C ATOM 6 CG TYR A 1 0.269 31.070 -6.996 1.00 0.00 C ATOM 7 CD1 TYR A 1 0.258 30.171 -8.081 1.00 0.00 C ATOM 8 CD2 TYR A 1 0.783 32.371 -7.159 1.00 0.00 C ATOM 9 CE1 TYR A 1 0.808 30.555 -9.320 1.00 0.00 C ATOM 10 CE2 TYR A 1 1.325 32.761 -8.395 1.00 0.00 C ATOM 11 CZ TYR A 1 1.364 31.847 -9.470 1.00 0.00 C ATOM 12 OH TYR A 1 1.979 32.213 -10.625 1.00 0.00 O ATOM 0 H1 TYR A 1 -2.569 32.362 -5.201 1.00 0.00 H new ATOM 0 H2 TYR A 1 -3.250 31.129 -4.251 1.00 0.00 H new ATOM 0 H3 TYR A 1 -1.709 31.737 -3.876 1.00 0.00 H new ATOM 0 HA TYR A 1 -2.138 30.669 -6.533 1.00 0.00 H new ATOM 0 HB2 TYR A 1 0.116 31.337 -4.883 1.00 0.00 H new ATOM 0 HB3 TYR A 1 0.238 29.664 -5.390 1.00 0.00 H new ATOM 0 HD1 TYR A 1 -0.172 29.187 -7.963 1.00 0.00 H new ATOM 0 HD2 TYR A 1 0.761 33.068 -6.335 1.00 0.00 H new ATOM 0 HE1 TYR A 1 0.805 29.866 -10.152 1.00 0.00 H new ATOM 0 HE2 TYR A 1 1.712 33.761 -8.523 1.00 0.00 H new ATOM 0 HH TYR A 1 2.299 33.136 -10.547 1.00 0.00 H new ATOM 24 N PRO A 2 -1.860 28.565 -3.916 1.00 0.00 N ATOM 25 CA PRO A 2 -2.192 27.204 -3.490 1.00 0.00 C ATOM 26 C PRO A 2 -3.699 27.061 -3.180 1.00 0.00 C ATOM 27 O PRO A 2 -4.118 26.869 -2.047 1.00 0.00 O ATOM 28 CB PRO A 2 -1.268 26.913 -2.299 1.00 0.00 C ATOM 29 CG PRO A 2 -0.969 28.281 -1.693 1.00 0.00 C ATOM 30 CD PRO A 2 -1.202 29.278 -2.826 1.00 0.00 C ATOM 0 HA PRO A 2 -2.024 26.464 -4.273 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.751 26.257 -1.575 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -0.354 26.415 -2.621 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -1.622 28.488 -0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 2 0.056 28.334 -1.326 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -1.820 30.108 -2.484 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.256 29.702 -3.163 1.00 0.00 H new ATOM 38 N ALA A 3 -4.502 27.164 -4.240 1.00 0.00 N ATOM 39 CA ALA A 3 -5.966 27.056 -4.249 1.00 0.00 C ATOM 40 C ALA A 3 -6.423 25.902 -5.168 1.00 0.00 C ATOM 41 O ALA A 3 -7.558 25.909 -5.647 1.00 0.00 O ATOM 42 CB ALA A 3 -6.555 28.423 -4.630 1.00 0.00 C ATOM 0 H ALA A 3 -4.127 27.335 -5.173 1.00 0.00 H new ATOM 0 HA ALA A 3 -6.342 26.800 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -7.643 28.360 -4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -6.242 29.170 -3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -6.198 28.710 -5.619 1.00 0.00 H new ATOM 48 N LYS A 4 -5.549 24.921 -5.410 1.00 0.00 N ATOM 49 CA LYS A 4 -5.809 23.732 -6.224 1.00 0.00 C ATOM 50 C LYS A 4 -5.314 22.456 -5.516 1.00 0.00 C ATOM 51 O LYS A 4 -4.416 22.552 -4.677 1.00 0.00 O ATOM 52 CB LYS A 4 -5.136 23.913 -7.603 1.00 0.00 C ATOM 53 CG LYS A 4 -6.066 24.648 -8.590 1.00 0.00 C ATOM 54 CD LYS A 4 -5.415 25.887 -9.216 1.00 0.00 C ATOM 55 CE LYS A 4 -6.382 26.491 -10.243 1.00 0.00 C ATOM 56 NZ LYS A 4 -5.858 26.405 -11.626 1.00 0.00 N ATOM 0 H LYS A 4 -4.603 24.935 -5.028 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.884 23.616 -6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.209 24.475 -7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -4.868 22.938 -8.010 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.362 23.960 -9.382 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.976 24.946 -8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -5.179 26.620 -8.444 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.475 25.617 -9.697 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -7.339 25.973 -10.186 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -6.570 27.535 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.545 26.825 -12.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -4.958 26.922 -11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.703 25.408 -11.877 1.00 0.00 H new ATOM 70 N PRO A 5 -5.868 21.274 -5.858 1.00 0.00 N ATOM 71 CA PRO A 5 -5.520 19.981 -5.251 1.00 0.00 C ATOM 72 C PRO A 5 -4.151 19.445 -5.705 1.00 0.00 C ATOM 73 O PRO A 5 -4.016 18.292 -6.123 1.00 0.00 O ATOM 74 CB PRO A 5 -6.709 19.061 -5.586 1.00 0.00 C ATOM 75 CG PRO A 5 -7.318 19.636 -6.864 1.00 0.00 C ATOM 76 CD PRO A 5 -6.916 21.108 -6.861 1.00 0.00 C ATOM 0 HA PRO A 5 -5.381 20.058 -4.173 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -6.380 18.033 -5.735 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -7.437 19.048 -4.775 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -6.938 19.124 -7.748 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -8.402 19.522 -6.871 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -6.556 21.409 -7.845 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -7.773 21.739 -6.628 1.00 0.00 H new ATOM 84 N GLU A 6 -3.115 20.292 -5.646 1.00 0.00 N ATOM 85 CA GLU A 6 -1.738 19.966 -6.012 1.00 0.00 C ATOM 86 C GLU A 6 -0.787 21.047 -5.467 1.00 0.00 C ATOM 87 O GLU A 6 -0.802 22.183 -5.945 1.00 0.00 O ATOM 88 CB GLU A 6 -1.608 19.808 -7.550 1.00 0.00 C ATOM 89 CG GLU A 6 -0.732 18.605 -7.897 1.00 0.00 C ATOM 90 CD GLU A 6 -0.682 18.310 -9.410 1.00 0.00 C ATOM 91 OE1 GLU A 6 0.186 18.918 -10.086 1.00 0.00 O ATOM 92 OE2 GLU A 6 -1.485 17.462 -9.871 1.00 0.00 O ATOM 0 H GLU A 6 -3.221 21.256 -5.330 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.459 19.012 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.596 19.684 -7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.178 20.713 -7.979 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.280 18.783 -7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.108 17.726 -7.374 1.00 0.00 H new ATOM 99 N ALA A 7 0.020 20.711 -4.452 1.00 0.00 N ATOM 100 CA ALA A 7 1.024 21.606 -3.872 1.00 0.00 C ATOM 101 C ALA A 7 2.297 20.830 -3.484 1.00 0.00 C ATOM 102 O ALA A 7 2.217 19.621 -3.250 1.00 0.00 O ATOM 103 CB ALA A 7 0.408 22.314 -2.659 1.00 0.00 C ATOM 0 H ALA A 7 -0.009 19.794 -4.005 1.00 0.00 H new ATOM 0 HA ALA A 7 1.321 22.351 -4.610 1.00 0.00 H new ATOM 0 HB1 ALA A 7 1.145 22.984 -2.216 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -0.462 22.889 -2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 7 0.103 21.572 -1.921 1.00 0.00 H new ATOM 109 N PRO A 8 3.479 21.485 -3.425 1.00 0.00 N ATOM 110 CA PRO A 8 4.714 20.865 -2.972 1.00 0.00 C ATOM 111 C PRO A 8 4.773 20.720 -1.446 1.00 0.00 C ATOM 112 O PRO A 8 4.074 21.430 -0.713 1.00 0.00 O ATOM 113 CB PRO A 8 5.837 21.769 -3.492 1.00 0.00 C ATOM 114 CG PRO A 8 5.193 23.151 -3.625 1.00 0.00 C ATOM 115 CD PRO A 8 3.692 22.891 -3.742 1.00 0.00 C ATOM 0 HA PRO A 8 4.800 19.847 -3.352 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.680 21.790 -2.802 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.218 21.416 -4.450 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.417 23.774 -2.759 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.570 23.677 -4.502 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.135 23.530 -3.057 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.338 23.118 -4.748 1.00 0.00 H new ATOM 123 N GLY A 9 5.657 19.829 -0.982 1.00 0.00 N ATOM 124 CA GLY A 9 5.783 19.418 0.417 1.00 0.00 C ATOM 125 C GLY A 9 4.650 18.482 0.865 1.00 0.00 C ATOM 126 O GLY A 9 3.527 18.546 0.371 1.00 0.00 O ATOM 0 H GLY A 9 6.326 19.360 -1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.740 18.917 0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.790 20.304 1.052 1.00 0.00 H new ATOM 130 N GLU A 10 4.936 17.605 1.833 1.00 0.00 N ATOM 131 CA GLU A 10 3.932 16.723 2.447 1.00 0.00 C ATOM 132 C GLU A 10 3.038 17.501 3.445 1.00 0.00 C ATOM 133 O GLU A 10 3.071 17.275 4.652 1.00 0.00 O ATOM 134 CB GLU A 10 4.620 15.460 3.025 1.00 0.00 C ATOM 135 CG GLU A 10 4.412 14.264 2.083 1.00 0.00 C ATOM 136 CD GLU A 10 5.206 13.024 2.506 1.00 0.00 C ATOM 137 OE1 GLU A 10 4.918 12.494 3.608 1.00 0.00 O ATOM 138 OE2 GLU A 10 6.055 12.583 1.689 1.00 0.00 O ATOM 0 H GLU A 10 5.874 17.485 2.216 1.00 0.00 H new ATOM 0 HA GLU A 10 3.237 16.360 1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.686 15.646 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.211 15.232 4.009 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.351 14.015 2.049 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.705 14.549 1.073 1.00 0.00 H new ATOM 145 N ASP A 11 2.222 18.418 2.913 1.00 0.00 N ATOM 146 CA ASP A 11 1.333 19.289 3.668 1.00 0.00 C ATOM 147 C ASP A 11 -0.146 18.904 3.449 1.00 0.00 C ATOM 148 O ASP A 11 -0.856 19.468 2.613 1.00 0.00 O ATOM 149 CB ASP A 11 1.623 20.772 3.358 1.00 0.00 C ATOM 150 CG ASP A 11 1.516 21.636 4.614 1.00 0.00 C ATOM 151 OD1 ASP A 11 0.364 21.786 5.099 1.00 0.00 O ATOM 152 OD2 ASP A 11 2.572 22.147 5.051 1.00 0.00 O ATOM 0 H ASP A 11 2.165 18.575 1.907 1.00 0.00 H new ATOM 0 HA ASP A 11 1.529 19.149 4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.622 20.868 2.933 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.921 21.132 2.606 1.00 0.00 H new ATOM 157 N ALA A 12 -0.603 17.903 4.208 1.00 0.00 N ATOM 158 CA ALA A 12 -1.958 17.363 4.135 1.00 0.00 C ATOM 159 C ALA A 12 -2.576 17.299 5.533 1.00 0.00 C ATOM 160 O ALA A 12 -2.553 16.261 6.193 1.00 0.00 O ATOM 161 CB ALA A 12 -1.924 16.001 3.423 1.00 0.00 C ATOM 0 H ALA A 12 -0.024 17.437 4.906 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.600 18.019 3.547 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.934 15.595 3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.527 16.127 2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.287 15.314 3.981 1.00 0.00 H new ATOM 167 N SER A 13 -3.128 18.430 5.996 1.00 0.00 N ATOM 168 CA SER A 13 -3.803 18.556 7.280 1.00 0.00 C ATOM 169 C SER A 13 -4.937 17.525 7.443 1.00 0.00 C ATOM 170 O SER A 13 -5.573 17.140 6.458 1.00 0.00 O ATOM 171 CB SER A 13 -4.340 19.988 7.458 1.00 0.00 C ATOM 172 OG SER A 13 -4.164 20.821 6.325 1.00 0.00 O ATOM 0 H SER A 13 -3.113 19.302 5.467 1.00 0.00 H new ATOM 0 HA SER A 13 -3.070 18.350 8.060 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.402 19.938 7.696 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.843 20.447 8.313 1.00 0.00 H new ATOM 0 HG SER A 13 -4.530 21.710 6.513 1.00 0.00 H new ATOM 178 N PRO A 14 -5.246 17.104 8.687 1.00 0.00 N ATOM 179 CA PRO A 14 -6.296 16.132 8.957 1.00 0.00 C ATOM 180 C PRO A 14 -7.681 16.767 8.767 1.00 0.00 C ATOM 181 O PRO A 14 -8.177 17.450 9.652 1.00 0.00 O ATOM 182 CB PRO A 14 -6.045 15.639 10.387 1.00 0.00 C ATOM 183 CG PRO A 14 -5.263 16.766 11.063 1.00 0.00 C ATOM 184 CD PRO A 14 -4.622 17.555 9.923 1.00 0.00 C ATOM 0 HA PRO A 14 -6.277 15.290 8.266 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.983 15.442 10.907 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.478 14.708 10.390 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.921 17.399 11.658 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.507 16.368 11.740 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.773 18.625 10.063 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.546 17.386 9.895 1.00 0.00 H new ATOM 192 N GLU A 15 -8.300 16.538 7.604 1.00 0.00 N ATOM 193 CA GLU A 15 -9.620 17.036 7.220 1.00 0.00 C ATOM 194 C GLU A 15 -10.361 15.944 6.443 1.00 0.00 C ATOM 195 O GLU A 15 -10.422 15.948 5.215 1.00 0.00 O ATOM 196 CB GLU A 15 -9.538 18.340 6.402 1.00 0.00 C ATOM 197 CG GLU A 15 -9.148 19.567 7.243 1.00 0.00 C ATOM 198 CD GLU A 15 -9.727 20.877 6.669 1.00 0.00 C ATOM 199 OE1 GLU A 15 -9.051 21.509 5.815 1.00 0.00 O ATOM 200 OE2 GLU A 15 -10.847 21.251 7.091 1.00 0.00 O ATOM 0 H GLU A 15 -7.871 15.973 6.871 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.173 17.279 8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.810 18.212 5.601 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.503 18.525 5.930 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.503 19.432 8.265 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -8.062 19.642 7.290 1.00 0.00 H new ATOM 207 N GLU A 16 -10.881 14.963 7.186 1.00 0.00 N ATOM 208 CA GLU A 16 -11.613 13.808 6.645 1.00 0.00 C ATOM 209 C GLU A 16 -10.721 12.906 5.747 1.00 0.00 C ATOM 210 O GLU A 16 -11.223 11.975 5.126 1.00 0.00 O ATOM 211 CB GLU A 16 -12.959 14.285 6.014 1.00 0.00 C ATOM 212 CG GLU A 16 -14.192 13.413 6.359 1.00 0.00 C ATOM 213 CD GLU A 16 -15.481 14.136 6.847 1.00 0.00 C ATOM 214 OE1 GLU A 16 -15.593 14.495 8.052 1.00 0.00 O ATOM 215 OE2 GLU A 16 -16.453 14.192 6.060 1.00 0.00 O ATOM 0 H GLU A 16 -10.805 14.947 8.203 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.890 13.134 7.456 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.153 15.307 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.845 14.313 4.930 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.449 12.832 5.473 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.894 12.703 7.131 1.00 0.00 H new ATOM 222 N LEU A 17 -9.388 13.099 5.736 1.00 0.00 N ATOM 223 CA LEU A 17 -8.411 12.332 4.958 1.00 0.00 C ATOM 224 C LEU A 17 -8.492 10.840 5.300 1.00 0.00 C ATOM 225 O LEU A 17 -8.840 10.015 4.455 1.00 0.00 O ATOM 226 CB LEU A 17 -7.003 12.957 5.144 1.00 0.00 C ATOM 227 CG LEU A 17 -5.797 11.981 5.110 1.00 0.00 C ATOM 228 CD1 LEU A 17 -5.799 11.006 3.914 1.00 0.00 C ATOM 229 CD2 LEU A 17 -4.464 12.724 5.248 1.00 0.00 C ATOM 0 H LEU A 17 -8.948 13.829 6.297 1.00 0.00 H new ATOM 0 HA LEU A 17 -8.640 12.390 3.894 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.857 13.705 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.988 13.483 6.098 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.918 11.344 5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.922 10.361 3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.701 10.395 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.775 11.572 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.643 12.007 5.220 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.356 13.432 4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.444 13.262 6.196 1.00 0.00 H new ATOM 241 N SER A 18 -8.195 10.484 6.555 1.00 0.00 N ATOM 242 CA SER A 18 -8.198 9.082 6.962 1.00 0.00 C ATOM 243 C SER A 18 -9.602 8.477 6.896 1.00 0.00 C ATOM 244 O SER A 18 -9.713 7.257 6.862 1.00 0.00 O ATOM 245 CB SER A 18 -7.607 8.901 8.364 1.00 0.00 C ATOM 246 OG SER A 18 -6.799 7.736 8.377 1.00 0.00 O ATOM 0 H SER A 18 -7.953 11.142 7.296 1.00 0.00 H new ATOM 0 HA SER A 18 -7.565 8.548 6.253 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.014 9.774 8.638 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.405 8.814 9.101 1.00 0.00 H new ATOM 0 HG SER A 18 -6.416 7.614 9.271 1.00 0.00 H new ATOM 252 N ARG A 19 -10.656 9.312 6.824 1.00 0.00 N ATOM 253 CA ARG A 19 -12.043 8.920 6.588 1.00 0.00 C ATOM 254 C ARG A 19 -12.241 8.304 5.205 1.00 0.00 C ATOM 255 O ARG A 19 -13.144 7.485 5.055 1.00 0.00 O ATOM 256 CB ARG A 19 -12.952 10.156 6.755 1.00 0.00 C ATOM 257 CG ARG A 19 -14.302 9.886 7.444 1.00 0.00 C ATOM 258 CD ARG A 19 -15.503 10.018 6.499 1.00 0.00 C ATOM 259 NE ARG A 19 -15.464 9.036 5.405 1.00 0.00 N ATOM 260 CZ ARG A 19 -16.218 9.030 4.318 1.00 0.00 C ATOM 261 NH1 ARG A 19 -17.133 9.950 4.106 1.00 0.00 N ATOM 262 NH2 ARG A 19 -16.064 8.087 3.426 1.00 0.00 N ATOM 0 H ARG A 19 -10.551 10.320 6.935 1.00 0.00 H new ATOM 0 HA ARG A 19 -12.308 8.155 7.318 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.413 10.909 7.330 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -13.143 10.583 5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -14.291 8.882 7.868 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -14.424 10.582 8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -16.425 9.890 7.067 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -15.524 11.024 6.080 1.00 0.00 H new ATOM 0 HE ARG A 19 -14.785 8.280 5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -17.276 10.694 4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -17.700 9.920 3.258 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -15.364 7.359 3.569 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -16.644 8.079 2.587 1.00 0.00 H new ATOM 276 N TYR A 20 -11.410 8.654 4.213 1.00 0.00 N ATOM 277 CA TYR A 20 -11.395 8.025 2.895 1.00 0.00 C ATOM 278 C TYR A 20 -10.762 6.634 2.995 1.00 0.00 C ATOM 279 O TYR A 20 -11.356 5.642 2.569 1.00 0.00 O ATOM 280 CB TYR A 20 -10.625 8.913 1.896 1.00 0.00 C ATOM 281 CG TYR A 20 -10.997 10.387 1.913 1.00 0.00 C ATOM 282 CD1 TYR A 20 -12.347 10.791 2.066 1.00 0.00 C ATOM 283 CD2 TYR A 20 -9.983 11.363 1.823 1.00 0.00 C ATOM 284 CE1 TYR A 20 -12.670 12.152 2.169 1.00 0.00 C ATOM 285 CE2 TYR A 20 -10.311 12.732 1.910 1.00 0.00 C ATOM 286 CZ TYR A 20 -11.648 13.125 2.097 1.00 0.00 C ATOM 287 OH TYR A 20 -11.955 14.446 2.205 1.00 0.00 O ATOM 0 H TYR A 20 -10.718 9.397 4.311 1.00 0.00 H new ATOM 0 HA TYR A 20 -12.417 7.914 2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.559 8.822 2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.789 8.526 0.890 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -13.130 10.048 2.103 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -8.955 11.062 1.687 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.698 12.456 2.303 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.535 13.479 1.833 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.136 14.979 2.135 1.00 0.00 H new ATOM 297 N TYR A 21 -9.578 6.563 3.625 1.00 0.00 N ATOM 298 CA TYR A 21 -8.827 5.333 3.829 1.00 0.00 C ATOM 299 C TYR A 21 -9.605 4.334 4.682 1.00 0.00 C ATOM 300 O TYR A 21 -9.743 3.193 4.276 1.00 0.00 O ATOM 301 CB TYR A 21 -7.444 5.646 4.428 1.00 0.00 C ATOM 302 CG TYR A 21 -6.321 4.756 3.915 1.00 0.00 C ATOM 303 CD1 TYR A 21 -6.064 4.698 2.536 1.00 0.00 C ATOM 304 CD2 TYR A 21 -5.515 4.015 4.808 1.00 0.00 C ATOM 305 CE1 TYR A 21 -5.022 3.892 2.044 1.00 0.00 C ATOM 306 CE2 TYR A 21 -4.477 3.214 4.326 1.00 0.00 C ATOM 307 CZ TYR A 21 -4.223 3.143 2.934 1.00 0.00 C ATOM 308 OH TYR A 21 -3.244 2.338 2.445 1.00 0.00 O ATOM 0 H TYR A 21 -9.113 7.384 4.012 1.00 0.00 H new ATOM 0 HA TYR A 21 -8.674 4.860 2.859 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.195 6.685 4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.501 5.550 5.512 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.668 5.274 1.851 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.703 4.068 5.870 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.833 3.846 0.982 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.868 2.648 5.015 1.00 0.00 H new ATOM 0 HH TYR A 21 -2.785 1.893 3.188 1.00 0.00 H new ATOM 318 N ALA A 22 -10.167 4.753 5.816 1.00 0.00 N ATOM 319 CA ALA A 22 -11.016 3.940 6.691 1.00 0.00 C ATOM 320 C ALA A 22 -12.260 3.379 5.981 1.00 0.00 C ATOM 321 O ALA A 22 -12.621 2.223 6.213 1.00 0.00 O ATOM 322 CB ALA A 22 -11.428 4.778 7.918 1.00 0.00 C ATOM 0 H ALA A 22 -10.039 5.703 6.164 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.430 3.075 7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.060 4.178 8.573 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.536 5.091 8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.979 5.659 7.589 1.00 0.00 H new ATOM 328 N SER A 23 -12.888 4.170 5.098 1.00 0.00 N ATOM 329 CA SER A 23 -14.013 3.722 4.274 1.00 0.00 C ATOM 330 C SER A 23 -13.575 2.663 3.274 1.00 0.00 C ATOM 331 O SER A 23 -14.123 1.563 3.262 1.00 0.00 O ATOM 332 CB SER A 23 -14.639 4.914 3.540 1.00 0.00 C ATOM 333 OG SER A 23 -16.055 4.857 3.517 1.00 0.00 O ATOM 0 H SER A 23 -12.626 5.143 4.937 1.00 0.00 H new ATOM 0 HA SER A 23 -14.758 3.277 4.934 1.00 0.00 H new ATOM 0 HB2 SER A 23 -14.324 5.839 4.023 1.00 0.00 H new ATOM 0 HB3 SER A 23 -14.264 4.944 2.517 1.00 0.00 H new ATOM 0 HG SER A 23 -16.400 5.544 2.910 1.00 0.00 H new ATOM 339 N LEU A 24 -12.559 2.965 2.450 1.00 0.00 N ATOM 340 CA LEU A 24 -12.035 2.016 1.460 1.00 0.00 C ATOM 341 C LEU A 24 -11.457 0.756 2.136 1.00 0.00 C ATOM 342 O LEU A 24 -11.631 -0.354 1.637 1.00 0.00 O ATOM 343 CB LEU A 24 -11.002 2.723 0.561 1.00 0.00 C ATOM 344 CG LEU A 24 -11.057 2.221 -0.896 1.00 0.00 C ATOM 345 CD1 LEU A 24 -11.944 3.119 -1.776 1.00 0.00 C ATOM 346 CD2 LEU A 24 -9.662 2.155 -1.498 1.00 0.00 C ATOM 0 H LEU A 24 -12.082 3.867 2.452 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.855 1.673 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.182 3.798 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.002 2.560 0.962 1.00 0.00 H new ATOM 0 HG LEU A 24 -11.492 1.222 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -11.957 2.732 -2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.959 3.129 -1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.546 4.134 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.726 1.798 -2.526 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.213 3.148 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.046 1.471 -0.914 1.00 0.00 H new ATOM 358 N ARG A 25 -10.866 0.930 3.330 1.00 0.00 N ATOM 359 CA ARG A 25 -10.413 -0.127 4.231 1.00 0.00 C ATOM 360 C ARG A 25 -11.533 -1.082 4.588 1.00 0.00 C ATOM 361 O ARG A 25 -11.232 -2.255 4.744 1.00 0.00 O ATOM 362 CB ARG A 25 -9.707 0.455 5.473 1.00 0.00 C ATOM 363 CG ARG A 25 -9.362 -0.553 6.587 1.00 0.00 C ATOM 364 CD ARG A 25 -10.501 -0.733 7.612 1.00 0.00 C ATOM 365 NE ARG A 25 -10.456 0.278 8.685 1.00 0.00 N ATOM 366 CZ ARG A 25 -11.431 0.587 9.535 1.00 0.00 C ATOM 367 NH1 ARG A 25 -12.626 0.055 9.439 1.00 0.00 N ATOM 368 NH2 ARG A 25 -11.223 1.439 10.517 1.00 0.00 N ATOM 0 H ARG A 25 -10.685 1.861 3.706 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.669 -0.718 3.698 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.785 0.939 5.149 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.343 1.232 5.897 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -9.130 -1.518 6.137 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.463 -0.219 7.106 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -11.461 -0.672 7.099 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.437 -1.728 8.051 1.00 0.00 H new ATOM 0 HE ARG A 25 -9.583 0.796 8.786 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.828 -0.616 8.697 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.354 0.312 10.106 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.306 1.870 10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.979 1.668 11.162 1.00 0.00 H new ATOM 382 N HIS A 26 -12.782 -0.634 4.711 1.00 0.00 N ATOM 383 CA HIS A 26 -13.900 -1.500 5.069 1.00 0.00 C ATOM 384 C HIS A 26 -14.072 -2.621 4.046 1.00 0.00 C ATOM 385 O HIS A 26 -13.936 -3.793 4.388 1.00 0.00 O ATOM 386 CB HIS A 26 -15.182 -0.670 5.214 1.00 0.00 C ATOM 387 CG HIS A 26 -16.284 -1.427 5.912 1.00 0.00 C ATOM 388 ND1 HIS A 26 -16.644 -1.286 7.229 1.00 0.00 N ATOM 389 CD2 HIS A 26 -17.071 -2.403 5.362 1.00 0.00 C ATOM 390 CE1 HIS A 26 -17.629 -2.168 7.472 1.00 0.00 C ATOM 391 NE2 HIS A 26 -17.914 -2.876 6.369 1.00 0.00 N ATOM 0 H HIS A 26 -13.045 0.341 4.565 1.00 0.00 H new ATOM 0 HA HIS A 26 -13.687 -1.969 6.030 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.961 0.240 5.772 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -15.526 -0.363 4.226 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -17.044 -2.744 4.338 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -18.123 -2.290 8.425 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -18.611 -3.616 6.283 1.00 0.00 H new ATOM 398 N TYR A 27 -14.321 -2.248 2.788 1.00 0.00 N ATOM 399 CA TYR A 27 -14.411 -3.187 1.676 1.00 0.00 C ATOM 400 C TYR A 27 -13.141 -4.033 1.571 1.00 0.00 C ATOM 401 O TYR A 27 -13.228 -5.256 1.559 1.00 0.00 O ATOM 402 CB TYR A 27 -14.675 -2.425 0.371 1.00 0.00 C ATOM 403 CG TYR A 27 -14.957 -3.324 -0.821 1.00 0.00 C ATOM 404 CD1 TYR A 27 -16.085 -4.169 -0.816 1.00 0.00 C ATOM 405 CD2 TYR A 27 -14.085 -3.327 -1.938 1.00 0.00 C ATOM 406 CE1 TYR A 27 -16.334 -5.027 -1.905 1.00 0.00 C ATOM 407 CE2 TYR A 27 -14.349 -4.168 -3.025 1.00 0.00 C ATOM 408 CZ TYR A 27 -15.466 -5.030 -3.007 1.00 0.00 C ATOM 409 OH TYR A 27 -15.695 -5.881 -4.048 1.00 0.00 O ATOM 0 H TYR A 27 -14.466 -1.276 2.514 1.00 0.00 H new ATOM 0 HA TYR A 27 -15.244 -3.867 1.857 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.523 -1.756 0.518 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -13.811 -1.800 0.146 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.761 -4.159 0.026 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -13.219 -2.682 -1.950 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -17.193 -5.682 -1.892 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -13.693 -4.157 -3.883 1.00 0.00 H new ATOM 0 HH TYR A 27 -15.003 -5.756 -4.731 1.00 0.00 H new ATOM 419 N LEU A 28 -11.965 -3.399 1.597 1.00 0.00 N ATOM 420 CA LEU A 28 -10.697 -4.124 1.587 1.00 0.00 C ATOM 421 C LEU A 28 -10.590 -5.143 2.751 1.00 0.00 C ATOM 422 O LEU A 28 -10.006 -6.202 2.561 1.00 0.00 O ATOM 423 CB LEU A 28 -9.532 -3.125 1.354 1.00 0.00 C ATOM 424 CG LEU A 28 -8.435 -3.116 2.423 1.00 0.00 C ATOM 425 CD1 LEU A 28 -7.395 -4.206 2.153 1.00 0.00 C ATOM 426 CD2 LEU A 28 -7.710 -1.762 2.545 1.00 0.00 C ATOM 0 H LEU A 28 -11.868 -2.384 1.625 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.629 -4.801 0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.073 -3.350 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.949 -2.121 1.281 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.949 -3.306 3.365 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.628 -4.177 2.927 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.881 -5.182 2.160 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.935 -4.037 1.180 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.946 -1.827 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.241 -1.513 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.429 -0.987 2.808 1.00 0.00 H new ATOM 438 N ASN A 29 -11.245 -4.912 3.894 1.00 0.00 N ATOM 439 CA ASN A 29 -11.263 -5.795 5.061 1.00 0.00 C ATOM 440 C ASN A 29 -12.019 -7.097 4.765 1.00 0.00 C ATOM 441 O ASN A 29 -11.437 -8.189 4.851 1.00 0.00 O ATOM 442 CB ASN A 29 -11.899 -5.063 6.260 1.00 0.00 C ATOM 443 CG ASN A 29 -11.222 -5.299 7.598 1.00 0.00 C ATOM 444 OD1 ASN A 29 -10.451 -6.222 7.790 1.00 0.00 O ATOM 445 ND2 ASN A 29 -11.507 -4.456 8.569 1.00 0.00 N ATOM 0 H ASN A 29 -11.800 -4.068 4.035 1.00 0.00 H new ATOM 0 HA ASN A 29 -10.234 -6.059 5.306 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.896 -3.993 6.054 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -12.942 -5.370 6.340 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -11.081 -4.574 9.488 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.154 -3.685 8.402 1.00 0.00 H new ATOM 452 N LEU A 30 -13.296 -6.988 4.386 1.00 0.00 N ATOM 453 CA LEU A 30 -14.144 -8.131 4.037 1.00 0.00 C ATOM 454 C LEU A 30 -13.703 -8.824 2.754 1.00 0.00 C ATOM 455 O LEU A 30 -14.007 -9.999 2.544 1.00 0.00 O ATOM 456 CB LEU A 30 -15.642 -7.757 4.055 1.00 0.00 C ATOM 457 CG LEU A 30 -16.057 -6.612 3.107 1.00 0.00 C ATOM 458 CD1 LEU A 30 -17.002 -7.066 1.994 1.00 0.00 C ATOM 459 CD2 LEU A 30 -16.744 -5.490 3.883 1.00 0.00 C ATOM 0 H LEU A 30 -13.776 -6.091 4.312 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.010 -8.879 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.222 -8.644 3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.916 -7.479 5.073 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.132 -6.260 2.650 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -17.256 -6.215 1.362 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.513 -7.832 1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -17.911 -7.476 2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -17.028 -4.693 3.196 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -17.635 -5.880 4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -16.060 -5.095 4.634 1.00 0.00 H new ATOM 471 N VAL A 31 -12.893 -8.139 1.943 1.00 0.00 N ATOM 472 CA VAL A 31 -12.172 -8.693 0.796 1.00 0.00 C ATOM 473 C VAL A 31 -10.951 -9.499 1.238 1.00 0.00 C ATOM 474 O VAL A 31 -10.726 -10.588 0.708 1.00 0.00 O ATOM 475 CB VAL A 31 -11.870 -7.574 -0.213 1.00 0.00 C ATOM 476 CG1 VAL A 31 -10.932 -7.982 -1.361 1.00 0.00 C ATOM 477 CG2 VAL A 31 -13.169 -7.038 -0.847 1.00 0.00 C ATOM 0 H VAL A 31 -12.715 -7.143 2.073 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.800 -9.417 0.276 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.363 -6.812 0.379 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -10.775 -7.130 -2.023 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.975 -8.304 -0.952 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.380 -8.801 -1.923 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.928 -6.247 -1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -13.682 -7.848 -1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -13.817 -6.640 -0.067 1.00 0.00 H new ATOM 487 N THR A 32 -10.186 -9.034 2.232 1.00 0.00 N ATOM 488 CA THR A 32 -8.995 -9.727 2.750 1.00 0.00 C ATOM 489 C THR A 32 -9.297 -10.979 3.563 1.00 0.00 C ATOM 490 O THR A 32 -8.593 -11.981 3.430 1.00 0.00 O ATOM 491 CB THR A 32 -8.117 -8.802 3.598 1.00 0.00 C ATOM 492 OG1 THR A 32 -8.810 -8.020 4.558 1.00 0.00 O ATOM 493 CG2 THR A 32 -7.263 -7.901 2.707 1.00 0.00 C ATOM 0 H THR A 32 -10.378 -8.153 2.708 1.00 0.00 H new ATOM 0 HA THR A 32 -8.464 -10.036 1.850 1.00 0.00 H new ATOM 0 HB THR A 32 -7.485 -9.476 4.176 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.706 -8.391 4.697 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.647 -7.252 3.330 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.620 -8.516 2.077 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.912 -7.291 2.078 1.00 0.00 H new ATOM 501 N ARG A 33 -10.361 -10.965 4.362 1.00 0.00 N ATOM 502 CA ARG A 33 -10.825 -12.113 5.169 1.00 0.00 C ATOM 503 C ARG A 33 -10.924 -13.418 4.372 1.00 0.00 C ATOM 504 O ARG A 33 -10.648 -14.485 4.912 1.00 0.00 O ATOM 505 CB ARG A 33 -12.184 -11.774 5.799 1.00 0.00 C ATOM 506 CG ARG A 33 -12.009 -11.088 7.162 1.00 0.00 C ATOM 507 CD ARG A 33 -13.164 -10.141 7.471 1.00 0.00 C ATOM 508 NE ARG A 33 -13.909 -10.537 8.678 1.00 0.00 N ATOM 509 CZ ARG A 33 -14.777 -9.781 9.342 1.00 0.00 C ATOM 510 NH1 ARG A 33 -15.051 -8.558 8.956 1.00 0.00 N ATOM 511 NH2 ARG A 33 -15.389 -10.247 10.403 1.00 0.00 N ATOM 0 H ARG A 33 -10.946 -10.137 4.476 1.00 0.00 H new ATOM 0 HA ARG A 33 -10.076 -12.285 5.942 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -12.745 -11.122 5.130 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.769 -12.686 5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -11.940 -11.845 7.944 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.071 -10.533 7.172 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -12.776 -9.131 7.602 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.845 -10.113 6.620 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.744 -11.477 9.037 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.594 -8.169 8.131 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -15.721 -7.996 9.481 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.200 -11.196 10.725 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.054 -9.660 10.907 1.00 0.00 H new ATOM 525 N GLN A 34 -11.283 -13.316 3.091 1.00 0.00 N ATOM 526 CA GLN A 34 -11.427 -14.421 2.146 1.00 0.00 C ATOM 527 C GLN A 34 -10.340 -14.388 1.048 1.00 0.00 C ATOM 528 O GLN A 34 -10.514 -15.002 -0.008 1.00 0.00 O ATOM 529 CB GLN A 34 -12.871 -14.390 1.603 1.00 0.00 C ATOM 530 CG GLN A 34 -13.902 -14.896 2.635 1.00 0.00 C ATOM 531 CD GLN A 34 -14.248 -16.383 2.515 1.00 0.00 C ATOM 532 OE1 GLN A 34 -14.216 -16.995 1.455 1.00 0.00 O ATOM 533 NE2 GLN A 34 -14.638 -17.022 3.598 1.00 0.00 N ATOM 0 H GLN A 34 -11.491 -12.413 2.664 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.267 -15.377 2.644 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.124 -13.371 1.311 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.931 -15.003 0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.517 -14.706 3.637 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.817 -14.314 2.530 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.673 -16.534 4.493 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -14.905 -18.005 3.542 1.00 0.00 H new ATOM 542 N ARG A 35 -9.214 -13.681 1.270 1.00 0.00 N ATOM 543 CA ARG A 35 -8.111 -13.491 0.306 1.00 0.00 C ATOM 544 C ARG A 35 -6.885 -12.821 0.963 1.00 0.00 C ATOM 545 O ARG A 35 -6.729 -11.602 0.918 1.00 0.00 O ATOM 546 CB ARG A 35 -8.637 -12.700 -0.918 1.00 0.00 C ATOM 547 CG ARG A 35 -8.696 -13.527 -2.204 1.00 0.00 C ATOM 548 CD ARG A 35 -7.436 -13.365 -3.070 1.00 0.00 C ATOM 549 NE ARG A 35 -6.602 -14.584 -3.115 1.00 0.00 N ATOM 550 CZ ARG A 35 -5.677 -14.852 -4.025 1.00 0.00 C ATOM 551 NH1 ARG A 35 -5.408 -14.018 -5.002 1.00 0.00 N ATOM 552 NH2 ARG A 35 -4.995 -15.973 -3.983 1.00 0.00 N ATOM 0 H ARG A 35 -9.041 -13.209 2.158 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.762 -14.465 -0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.634 -12.321 -0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.996 -11.834 -1.082 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.824 -14.579 -1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.571 -13.230 -2.783 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.732 -13.097 -4.084 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.840 -12.539 -2.683 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.751 -15.278 -2.383 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.917 -13.137 -5.075 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -4.690 -14.251 -5.688 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.174 -16.652 -3.243 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.286 -16.165 -4.691 1.00 0.00 H new ATOM 566 N TYR A 36 -6.024 -13.629 1.594 1.00 0.00 N ATOM 567 CA TYR A 36 -4.829 -13.150 2.303 1.00 0.00 C ATOM 568 C TYR A 36 -3.735 -14.230 2.405 1.00 0.00 C ATOM 569 O TYR A 36 -2.581 -14.007 2.077 1.00 0.00 O ATOM 570 CB TYR A 36 -5.246 -12.659 3.699 1.00 0.00 C ATOM 571 CG TYR A 36 -4.173 -11.901 4.451 1.00 0.00 C ATOM 572 CD1 TYR A 36 -3.962 -10.538 4.173 1.00 0.00 C ATOM 573 CD2 TYR A 36 -3.386 -12.555 5.421 1.00 0.00 C ATOM 574 CE1 TYR A 36 -2.957 -9.822 4.850 1.00 0.00 C ATOM 575 CE2 TYR A 36 -2.389 -11.841 6.110 1.00 0.00 C ATOM 576 CZ TYR A 36 -2.155 -10.483 5.809 1.00 0.00 C ATOM 577 OH TYR A 36 -1.139 -9.824 6.430 1.00 0.00 O ATOM 0 H TYR A 36 -6.137 -14.642 1.628 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.395 -12.329 1.732 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.121 -12.017 3.597 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -5.550 -13.519 4.296 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.574 -10.039 3.437 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.548 -13.601 5.634 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.799 -8.775 4.638 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.802 -12.333 6.871 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.693 -10.429 7.059 1.00 0.00 H new HETATM 587 N NH2 A 37 -4.061 -15.432 2.858 1.00 0.00 N TER 590 NH2 A 37