USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 289 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+ -138:sc= 0.474 (180deg=0.0284) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -126:sc= 1.58 (180deg=-0.61) USER MOD Single : A 13 SER OG : rot 180:sc= 0 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 73:sc= 0.968 USER MOD Single : A 26 HIS : no HD1:sc=-0.00416 X(o=-0.0042,f=-0.12) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc=-0.00349 X(o=-0.0035,f=-0.41) USER MOD Single : A 32 THR OG1 : rot -44:sc= 0.157 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 12.176 -5.864 -16.194 1.00 0.00 N ATOM 2 CA TYR A 1 11.048 -5.765 -15.236 1.00 0.00 C ATOM 3 C TYR A 1 11.370 -4.813 -14.108 1.00 0.00 C ATOM 4 O TYR A 1 12.541 -4.527 -13.883 1.00 0.00 O ATOM 5 CB TYR A 1 10.629 -7.171 -14.749 1.00 0.00 C ATOM 6 CG TYR A 1 11.786 -8.056 -14.334 1.00 0.00 C ATOM 7 CD1 TYR A 1 12.535 -7.700 -13.207 1.00 0.00 C ATOM 8 CD2 TYR A 1 12.128 -9.212 -15.061 1.00 0.00 C ATOM 9 CE1 TYR A 1 13.625 -8.479 -12.783 1.00 0.00 C ATOM 10 CE2 TYR A 1 13.227 -9.996 -14.654 1.00 0.00 C ATOM 11 CZ TYR A 1 13.975 -9.635 -13.509 1.00 0.00 C ATOM 12 OH TYR A 1 15.027 -10.390 -13.093 1.00 0.00 O ATOM 0 H1 TYR A 1 11.807 -5.864 -17.166 1.00 0.00 H new ATOM 0 H2 TYR A 1 12.813 -5.052 -16.066 1.00 0.00 H new ATOM 0 H3 TYR A 1 12.701 -6.746 -16.023 1.00 0.00 H new ATOM 0 HA TYR A 1 10.184 -5.340 -15.747 1.00 0.00 H new ATOM 0 HB2 TYR A 1 9.948 -7.063 -13.905 1.00 0.00 H new ATOM 0 HB3 TYR A 1 10.074 -7.668 -15.544 1.00 0.00 H new ATOM 0 HD1 TYR A 1 12.271 -6.811 -12.653 1.00 0.00 H new ATOM 0 HD2 TYR A 1 11.550 -9.497 -15.928 1.00 0.00 H new ATOM 0 HE1 TYR A 1 14.190 -8.194 -11.908 1.00 0.00 H new ATOM 0 HE2 TYR A 1 13.499 -10.876 -15.219 1.00 0.00 H new ATOM 0 HH TYR A 1 15.141 -11.153 -13.697 1.00 0.00 H new ATOM 24 N PRO A 2 10.329 -4.270 -13.449 1.00 0.00 N ATOM 25 CA PRO A 2 10.496 -3.177 -12.524 1.00 0.00 C ATOM 26 C PRO A 2 11.029 -3.692 -11.190 1.00 0.00 C ATOM 27 O PRO A 2 11.652 -2.947 -10.449 1.00 0.00 O ATOM 28 CB PRO A 2 9.114 -2.542 -12.324 1.00 0.00 C ATOM 29 CG PRO A 2 8.152 -3.690 -12.615 1.00 0.00 C ATOM 30 CD PRO A 2 8.922 -4.546 -13.617 1.00 0.00 C ATOM 0 HA PRO A 2 11.209 -2.449 -12.911 1.00 0.00 H new ATOM 0 HB2 PRO A 2 8.990 -2.161 -11.310 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.955 -1.703 -13.002 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.908 -4.249 -11.712 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.211 -3.331 -13.032 1.00 0.00 H new ATOM 0 HD2 PRO A 2 8.718 -5.604 -13.451 1.00 0.00 H new ATOM 0 HD3 PRO A 2 8.607 -4.317 -14.635 1.00 0.00 H new ATOM 38 N ALA A 3 10.777 -4.984 -10.938 1.00 0.00 N ATOM 39 CA ALA A 3 11.252 -5.778 -9.825 1.00 0.00 C ATOM 40 C ALA A 3 10.837 -5.229 -8.456 1.00 0.00 C ATOM 41 O ALA A 3 11.659 -5.205 -7.542 1.00 0.00 O ATOM 42 CB ALA A 3 12.763 -5.942 -9.974 1.00 0.00 C ATOM 0 H ALA A 3 10.188 -5.533 -11.564 1.00 0.00 H new ATOM 0 HA ALA A 3 10.774 -6.757 -9.858 1.00 0.00 H new ATOM 0 HB1 ALA A 3 13.148 -6.538 -9.146 1.00 0.00 H new ATOM 0 HB2 ALA A 3 12.983 -6.444 -10.916 1.00 0.00 H new ATOM 0 HB3 ALA A 3 13.238 -4.961 -9.966 1.00 0.00 H new ATOM 48 N LYS A 4 9.553 -4.842 -8.337 1.00 0.00 N ATOM 49 CA LYS A 4 8.935 -4.117 -7.213 1.00 0.00 C ATOM 50 C LYS A 4 9.433 -2.655 -7.150 1.00 0.00 C ATOM 51 O LYS A 4 10.592 -2.382 -7.446 1.00 0.00 O ATOM 52 CB LYS A 4 9.185 -4.899 -5.908 1.00 0.00 C ATOM 53 CG LYS A 4 8.670 -4.299 -4.600 1.00 0.00 C ATOM 54 CD LYS A 4 9.422 -4.899 -3.405 1.00 0.00 C ATOM 55 CE LYS A 4 9.208 -6.410 -3.246 1.00 0.00 C ATOM 56 NZ LYS A 4 10.234 -7.196 -3.979 1.00 0.00 N ATOM 0 H LYS A 4 8.876 -5.041 -9.073 1.00 0.00 H new ATOM 0 HA LYS A 4 7.857 -4.053 -7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.738 -5.887 -6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.260 -5.045 -5.807 1.00 0.00 H new ATOM 0 HG2 LYS A 4 8.799 -3.217 -4.613 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.602 -4.491 -4.500 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.488 -4.701 -3.519 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.100 -4.396 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.238 -6.671 -2.188 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.217 -6.677 -3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.765 -7.871 -4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.832 -6.553 -4.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.825 -7.715 -3.299 1.00 0.00 H new ATOM 70 N PRO A 5 8.574 -1.693 -6.765 1.00 0.00 N ATOM 71 CA PRO A 5 8.951 -0.295 -6.638 1.00 0.00 C ATOM 72 C PRO A 5 9.920 -0.158 -5.478 1.00 0.00 C ATOM 73 O PRO A 5 9.771 -0.828 -4.452 1.00 0.00 O ATOM 74 CB PRO A 5 7.651 0.480 -6.387 1.00 0.00 C ATOM 75 CG PRO A 5 6.726 -0.559 -5.762 1.00 0.00 C ATOM 76 CD PRO A 5 7.174 -1.843 -6.448 1.00 0.00 C ATOM 0 HA PRO A 5 9.447 0.093 -7.528 1.00 0.00 H new ATOM 0 HB2 PRO A 5 7.812 1.326 -5.719 1.00 0.00 H new ATOM 0 HB3 PRO A 5 7.237 0.879 -7.313 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.846 -0.612 -4.680 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.676 -0.339 -5.956 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.017 -2.702 -5.796 1.00 0.00 H new ATOM 0 HD3 PRO A 5 6.592 -2.019 -7.352 1.00 0.00 H new ATOM 84 N GLU A 6 10.916 0.711 -5.635 1.00 0.00 N ATOM 85 CA GLU A 6 11.829 0.947 -4.533 1.00 0.00 C ATOM 86 C GLU A 6 11.141 1.716 -3.388 1.00 0.00 C ATOM 87 O GLU A 6 10.111 2.363 -3.591 1.00 0.00 O ATOM 88 CB GLU A 6 13.082 1.713 -5.008 1.00 0.00 C ATOM 89 CG GLU A 6 14.075 0.869 -5.820 1.00 0.00 C ATOM 90 CD GLU A 6 15.271 1.707 -6.312 1.00 0.00 C ATOM 91 OE1 GLU A 6 15.946 2.333 -5.458 1.00 0.00 O ATOM 92 OE2 GLU A 6 15.511 1.707 -7.542 1.00 0.00 O ATOM 0 H GLU A 6 11.104 1.244 -6.484 1.00 0.00 H new ATOM 0 HA GLU A 6 12.138 -0.027 -4.153 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.765 2.562 -5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.597 2.118 -4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.437 0.044 -5.207 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.563 0.429 -6.676 1.00 0.00 H new ATOM 99 N ALA A 7 11.724 1.668 -2.182 1.00 0.00 N ATOM 100 CA ALA A 7 11.203 2.371 -1.009 1.00 0.00 C ATOM 101 C ALA A 7 11.045 3.863 -1.219 1.00 0.00 C ATOM 102 O ALA A 7 11.892 4.486 -1.869 1.00 0.00 O ATOM 103 CB ALA A 7 12.108 2.088 0.198 1.00 0.00 C ATOM 0 H ALA A 7 12.574 1.137 -1.995 1.00 0.00 H new ATOM 0 HA ALA A 7 10.199 1.989 -0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.722 2.611 1.073 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.127 1.016 0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.119 2.436 -0.016 1.00 0.00 H new ATOM 109 N PRO A 8 9.966 4.444 -0.652 1.00 0.00 N ATOM 110 CA PRO A 8 9.631 5.793 -0.973 1.00 0.00 C ATOM 111 C PRO A 8 10.635 6.760 -0.348 1.00 0.00 C ATOM 112 O PRO A 8 11.441 6.394 0.513 1.00 0.00 O ATOM 113 CB PRO A 8 8.221 6.029 -0.427 1.00 0.00 C ATOM 114 CG PRO A 8 8.182 5.107 0.771 1.00 0.00 C ATOM 115 CD PRO A 8 8.888 3.907 0.167 1.00 0.00 C ATOM 0 HA PRO A 8 9.663 5.965 -2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.063 7.070 -0.145 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.454 5.777 -1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.708 5.515 1.634 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.166 4.880 1.095 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.279 3.252 0.946 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.201 3.312 -0.434 1.00 0.00 H new ATOM 123 N GLY A 9 10.548 8.030 -0.738 1.00 0.00 N ATOM 124 CA GLY A 9 11.337 9.069 -0.089 1.00 0.00 C ATOM 125 C GLY A 9 11.005 9.168 1.406 1.00 0.00 C ATOM 126 O GLY A 9 9.838 9.233 1.783 1.00 0.00 O ATOM 0 H GLY A 9 9.945 8.360 -1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.398 8.855 -0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.146 10.028 -0.571 1.00 0.00 H new ATOM 130 N GLU A 10 12.029 9.249 2.265 1.00 0.00 N ATOM 131 CA GLU A 10 11.841 9.539 3.697 1.00 0.00 C ATOM 132 C GLU A 10 11.087 10.869 3.923 1.00 0.00 C ATOM 133 O GLU A 10 10.349 11.004 4.895 1.00 0.00 O ATOM 134 CB GLU A 10 13.208 9.499 4.412 1.00 0.00 C ATOM 135 CG GLU A 10 13.110 9.905 5.893 1.00 0.00 C ATOM 136 CD GLU A 10 14.310 9.475 6.749 1.00 0.00 C ATOM 137 OE1 GLU A 10 14.265 8.325 7.253 1.00 0.00 O ATOM 138 OE2 GLU A 10 15.215 10.315 6.965 1.00 0.00 O ATOM 0 H GLU A 10 13.003 9.117 1.993 1.00 0.00 H new ATOM 0 HA GLU A 10 11.206 8.769 4.135 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.622 8.493 4.341 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.902 10.166 3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 10 13.005 10.988 5.954 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.203 9.473 6.317 1.00 0.00 H new ATOM 145 N ASP A 11 11.196 11.803 2.969 1.00 0.00 N ATOM 146 CA ASP A 11 10.461 13.071 2.926 1.00 0.00 C ATOM 147 C ASP A 11 9.353 13.062 1.837 1.00 0.00 C ATOM 148 O ASP A 11 9.064 14.088 1.218 1.00 0.00 O ATOM 149 CB ASP A 11 11.485 14.221 2.805 1.00 0.00 C ATOM 150 CG ASP A 11 10.953 15.578 3.303 1.00 0.00 C ATOM 151 OD1 ASP A 11 10.040 15.598 4.171 1.00 0.00 O ATOM 152 OD2 ASP A 11 11.506 16.596 2.833 1.00 0.00 O ATOM 0 H ASP A 11 11.825 11.690 2.174 1.00 0.00 H new ATOM 0 HA ASP A 11 9.905 13.226 3.851 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.379 13.961 3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.786 14.319 1.762 1.00 0.00 H new ATOM 157 N ALA A 12 8.759 11.885 1.554 1.00 0.00 N ATOM 158 CA ALA A 12 7.591 11.701 0.674 1.00 0.00 C ATOM 159 C ALA A 12 6.261 11.921 1.432 1.00 0.00 C ATOM 160 O ALA A 12 6.178 11.717 2.644 1.00 0.00 O ATOM 161 CB ALA A 12 7.632 10.298 -0.007 1.00 0.00 C ATOM 0 H ALA A 12 9.093 11.005 1.947 1.00 0.00 H new ATOM 0 HA ALA A 12 7.641 12.460 -0.107 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.761 10.181 -0.653 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.540 10.209 -0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.623 9.522 0.758 1.00 0.00 H new ATOM 167 N SER A 13 5.198 12.325 0.719 1.00 0.00 N ATOM 168 CA SER A 13 3.855 12.500 1.294 1.00 0.00 C ATOM 169 C SER A 13 3.162 11.232 1.771 1.00 0.00 C ATOM 170 O SER A 13 3.370 10.147 1.240 1.00 0.00 O ATOM 171 CB SER A 13 2.935 13.276 0.323 1.00 0.00 C ATOM 172 OG SER A 13 2.130 12.381 -0.428 1.00 0.00 O ATOM 0 H SER A 13 5.246 12.540 -0.277 1.00 0.00 H new ATOM 0 HA SER A 13 4.032 13.079 2.200 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.300 13.960 0.885 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.539 13.883 -0.351 1.00 0.00 H new ATOM 0 HG SER A 13 1.554 12.890 -1.035 1.00 0.00 H new ATOM 178 N PRO A 14 2.287 11.362 2.785 1.00 0.00 N ATOM 179 CA PRO A 14 1.814 10.232 3.539 1.00 0.00 C ATOM 180 C PRO A 14 0.819 9.379 2.765 1.00 0.00 C ATOM 181 O PRO A 14 0.675 8.181 3.001 1.00 0.00 O ATOM 182 CB PRO A 14 1.114 10.775 4.806 1.00 0.00 C ATOM 183 CG PRO A 14 0.911 12.238 4.453 1.00 0.00 C ATOM 184 CD PRO A 14 2.244 12.410 3.746 1.00 0.00 C ATOM 0 HA PRO A 14 2.669 9.598 3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.169 10.267 4.999 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.730 10.652 5.697 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.050 12.414 3.808 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.794 12.883 5.324 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.315 13.387 3.268 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.075 12.337 4.447 1.00 0.00 H new ATOM 192 N GLU A 15 0.101 10.032 1.856 1.00 0.00 N ATOM 193 CA GLU A 15 -0.757 9.376 0.890 1.00 0.00 C ATOM 194 C GLU A 15 0.074 8.511 -0.073 1.00 0.00 C ATOM 195 O GLU A 15 -0.327 7.394 -0.395 1.00 0.00 O ATOM 196 CB GLU A 15 -1.570 10.468 0.179 1.00 0.00 C ATOM 197 CG GLU A 15 -2.866 9.928 -0.432 1.00 0.00 C ATOM 198 CD GLU A 15 -2.657 9.130 -1.735 1.00 0.00 C ATOM 199 OE1 GLU A 15 -1.911 9.601 -2.640 1.00 0.00 O ATOM 200 OE2 GLU A 15 -3.270 8.043 -1.824 1.00 0.00 O ATOM 0 H GLU A 15 0.103 11.049 1.773 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.448 8.686 1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.809 11.259 0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.961 10.917 -0.606 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.362 9.289 0.298 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.537 10.763 -0.633 1.00 0.00 H new ATOM 207 N GLU A 16 1.277 8.970 -0.455 1.00 0.00 N ATOM 208 CA GLU A 16 2.215 8.208 -1.284 1.00 0.00 C ATOM 209 C GLU A 16 2.585 6.886 -0.602 1.00 0.00 C ATOM 210 O GLU A 16 2.471 5.811 -1.192 1.00 0.00 O ATOM 211 CB GLU A 16 3.455 9.071 -1.587 1.00 0.00 C ATOM 212 CG GLU A 16 4.200 8.647 -2.852 1.00 0.00 C ATOM 213 CD GLU A 16 5.082 7.421 -2.615 1.00 0.00 C ATOM 214 OE1 GLU A 16 6.052 7.574 -1.842 1.00 0.00 O ATOM 215 OE2 GLU A 16 4.795 6.368 -3.221 1.00 0.00 O ATOM 0 H GLU A 16 1.626 9.892 -0.192 1.00 0.00 H new ATOM 0 HA GLU A 16 1.742 7.954 -2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.147 10.112 -1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.138 9.021 -0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.480 8.428 -3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.816 9.474 -3.204 1.00 0.00 H new ATOM 222 N LEU A 17 2.932 6.982 0.686 1.00 0.00 N ATOM 223 CA LEU A 17 3.271 5.876 1.569 1.00 0.00 C ATOM 224 C LEU A 17 2.260 4.708 1.435 1.00 0.00 C ATOM 225 O LEU A 17 2.662 3.566 1.201 1.00 0.00 O ATOM 226 CB LEU A 17 3.447 6.458 3.006 1.00 0.00 C ATOM 227 CG LEU A 17 4.871 6.851 3.437 1.00 0.00 C ATOM 228 CD1 LEU A 17 5.937 5.755 3.322 1.00 0.00 C ATOM 229 CD2 LEU A 17 5.301 8.099 2.678 1.00 0.00 C ATOM 0 H LEU A 17 2.985 7.884 1.159 1.00 0.00 H new ATOM 0 HA LEU A 17 4.217 5.411 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.812 7.340 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.070 5.723 3.717 1.00 0.00 H new ATOM 0 HG LEU A 17 4.805 7.040 4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.899 6.147 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.656 4.907 3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.015 5.431 2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.310 8.380 2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.287 7.896 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.614 8.915 2.902 1.00 0.00 H new ATOM 241 N SER A 18 0.950 4.988 1.500 1.00 0.00 N ATOM 242 CA SER A 18 -0.141 4.015 1.297 1.00 0.00 C ATOM 243 C SER A 18 -0.055 3.253 -0.040 1.00 0.00 C ATOM 244 O SER A 18 -0.061 2.018 -0.058 1.00 0.00 O ATOM 245 CB SER A 18 -1.483 4.748 1.414 1.00 0.00 C ATOM 246 OG SER A 18 -2.560 3.857 1.222 1.00 0.00 O ATOM 0 H SER A 18 0.607 5.927 1.702 1.00 0.00 H new ATOM 0 HA SER A 18 -0.046 3.254 2.071 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.563 5.215 2.395 1.00 0.00 H new ATOM 0 HB3 SER A 18 -1.531 5.548 0.675 1.00 0.00 H new ATOM 0 HG SER A 18 -3.406 4.345 1.302 1.00 0.00 H new ATOM 252 N ARG A 19 0.055 3.979 -1.163 1.00 0.00 N ATOM 253 CA ARG A 19 0.164 3.420 -2.529 1.00 0.00 C ATOM 254 C ARG A 19 1.376 2.491 -2.668 1.00 0.00 C ATOM 255 O ARG A 19 1.285 1.406 -3.258 1.00 0.00 O ATOM 256 CB ARG A 19 0.267 4.568 -3.548 1.00 0.00 C ATOM 257 CG ARG A 19 -0.990 5.454 -3.568 1.00 0.00 C ATOM 258 CD ARG A 19 -0.672 6.890 -3.972 1.00 0.00 C ATOM 259 NE ARG A 19 -0.583 7.085 -5.424 1.00 0.00 N ATOM 260 CZ ARG A 19 -0.620 8.272 -6.011 1.00 0.00 C ATOM 261 NH1 ARG A 19 -0.721 9.394 -5.319 1.00 0.00 N ATOM 262 NH2 ARG A 19 -0.583 8.333 -7.324 1.00 0.00 N ATOM 0 H ARG A 19 0.072 4.999 -1.151 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.731 2.829 -2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.136 5.182 -3.312 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.431 4.153 -4.542 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.718 5.035 -4.263 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.452 5.449 -2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.441 7.550 -3.571 1.00 0.00 H new ATOM 0 HD3 ARG A 19 0.272 7.187 -3.515 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.487 6.259 -6.015 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.773 9.362 -4.301 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.747 10.291 -5.803 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.527 7.475 -7.873 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.611 9.238 -7.793 1.00 0.00 H new ATOM 276 N TYR A 20 2.508 2.907 -2.096 1.00 0.00 N ATOM 277 CA TYR A 20 3.702 2.075 -2.003 1.00 0.00 C ATOM 278 C TYR A 20 3.447 0.777 -1.212 1.00 0.00 C ATOM 279 O TYR A 20 3.731 -0.313 -1.717 1.00 0.00 O ATOM 280 CB TYR A 20 4.858 2.888 -1.406 1.00 0.00 C ATOM 281 CG TYR A 20 6.055 2.010 -1.119 1.00 0.00 C ATOM 282 CD1 TYR A 20 6.923 1.648 -2.166 1.00 0.00 C ATOM 283 CD2 TYR A 20 6.245 1.480 0.173 1.00 0.00 C ATOM 284 CE1 TYR A 20 7.981 0.757 -1.917 1.00 0.00 C ATOM 285 CE2 TYR A 20 7.308 0.593 0.424 1.00 0.00 C ATOM 286 CZ TYR A 20 8.180 0.229 -0.625 1.00 0.00 C ATOM 287 OH TYR A 20 9.221 -0.616 -0.391 1.00 0.00 O ATOM 0 H TYR A 20 2.619 3.834 -1.684 1.00 0.00 H new ATOM 0 HA TYR A 20 3.979 1.765 -3.010 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.143 3.681 -2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.529 3.371 -0.486 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.777 2.053 -3.156 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.573 1.755 0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.646 0.475 -2.720 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.456 0.192 1.416 1.00 0.00 H new ATOM 0 HH TYR A 20 9.216 -0.888 0.551 1.00 0.00 H new ATOM 297 N TYR A 21 2.895 0.875 0.007 1.00 0.00 N ATOM 298 CA TYR A 21 2.601 -0.283 0.863 1.00 0.00 C ATOM 299 C TYR A 21 1.734 -1.333 0.157 1.00 0.00 C ATOM 300 O TYR A 21 2.090 -2.513 0.141 1.00 0.00 O ATOM 301 CB TYR A 21 1.933 0.171 2.173 1.00 0.00 C ATOM 302 CG TYR A 21 2.896 0.587 3.264 1.00 0.00 C ATOM 303 CD1 TYR A 21 3.788 -0.347 3.826 1.00 0.00 C ATOM 304 CD2 TYR A 21 2.873 1.909 3.741 1.00 0.00 C ATOM 305 CE1 TYR A 21 4.689 0.057 4.828 1.00 0.00 C ATOM 306 CE2 TYR A 21 3.790 2.328 4.718 1.00 0.00 C ATOM 307 CZ TYR A 21 4.708 1.405 5.258 1.00 0.00 C ATOM 308 OH TYR A 21 5.609 1.821 6.186 1.00 0.00 O ATOM 0 H TYR A 21 2.638 1.767 0.429 1.00 0.00 H new ATOM 0 HA TYR A 21 3.555 -0.758 1.092 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.269 1.008 1.955 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.310 -0.641 2.548 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.780 -1.373 3.488 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.145 2.607 3.354 1.00 0.00 H new ATOM 0 HE1 TYR A 21 5.365 -0.661 5.268 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.792 3.354 5.055 1.00 0.00 H new ATOM 0 HH TYR A 21 5.480 2.776 6.362 1.00 0.00 H new ATOM 318 N ALA A 22 0.621 -0.917 -0.456 1.00 0.00 N ATOM 319 CA ALA A 22 -0.222 -1.812 -1.248 1.00 0.00 C ATOM 320 C ALA A 22 0.553 -2.489 -2.402 1.00 0.00 C ATOM 321 O ALA A 22 0.399 -3.694 -2.624 1.00 0.00 O ATOM 322 CB ALA A 22 -1.434 -1.017 -1.744 1.00 0.00 C ATOM 0 H ALA A 22 0.282 0.044 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.562 -2.635 -0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.077 -1.667 -2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.993 -0.636 -0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.095 -0.182 -2.358 1.00 0.00 H new ATOM 328 N SER A 23 1.432 -1.745 -3.093 1.00 0.00 N ATOM 329 CA SER A 23 2.287 -2.281 -4.163 1.00 0.00 C ATOM 330 C SER A 23 3.275 -3.357 -3.677 1.00 0.00 C ATOM 331 O SER A 23 3.544 -4.308 -4.414 1.00 0.00 O ATOM 332 CB SER A 23 3.088 -1.171 -4.863 1.00 0.00 C ATOM 333 OG SER A 23 2.272 -0.144 -5.412 1.00 0.00 O ATOM 0 H SER A 23 1.570 -0.749 -2.923 1.00 0.00 H new ATOM 0 HA SER A 23 1.593 -2.744 -4.865 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.783 -0.729 -4.149 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.687 -1.613 -5.659 1.00 0.00 H new ATOM 0 HG SER A 23 1.913 0.411 -4.688 1.00 0.00 H new ATOM 339 N LEU A 24 3.799 -3.249 -2.446 1.00 0.00 N ATOM 340 CA LEU A 24 4.715 -4.238 -1.857 1.00 0.00 C ATOM 341 C LEU A 24 4.094 -5.642 -1.833 1.00 0.00 C ATOM 342 O LEU A 24 4.640 -6.585 -2.415 1.00 0.00 O ATOM 343 CB LEU A 24 5.143 -3.774 -0.448 1.00 0.00 C ATOM 344 CG LEU A 24 6.050 -4.760 0.316 1.00 0.00 C ATOM 345 CD1 LEU A 24 7.252 -5.188 -0.520 1.00 0.00 C ATOM 346 CD2 LEU A 24 6.575 -4.107 1.598 1.00 0.00 C ATOM 0 H LEU A 24 3.597 -2.465 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 24 5.605 -4.307 -2.483 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.664 -2.821 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.247 -3.593 0.146 1.00 0.00 H new ATOM 0 HG LEU A 24 5.444 -5.636 0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.866 -5.882 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.906 -5.677 -1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.844 -4.311 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.214 -4.812 2.130 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.150 -3.216 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.735 -3.828 2.234 1.00 0.00 H new ATOM 358 N ARG A 25 2.931 -5.771 -1.177 1.00 0.00 N ATOM 359 CA ARG A 25 2.154 -7.018 -1.131 1.00 0.00 C ATOM 360 C ARG A 25 1.781 -7.505 -2.532 1.00 0.00 C ATOM 361 O ARG A 25 1.813 -8.711 -2.772 1.00 0.00 O ATOM 362 CB ARG A 25 0.893 -6.822 -0.273 1.00 0.00 C ATOM 363 CG ARG A 25 1.192 -6.811 1.238 1.00 0.00 C ATOM 364 CD ARG A 25 1.361 -8.222 1.835 1.00 0.00 C ATOM 365 NE ARG A 25 0.091 -8.982 1.866 1.00 0.00 N ATOM 366 CZ ARG A 25 -0.970 -8.769 2.647 1.00 0.00 C ATOM 367 NH1 ARG A 25 -0.979 -7.840 3.577 1.00 0.00 N ATOM 368 NH2 ARG A 25 -2.059 -9.488 2.497 1.00 0.00 N ATOM 0 H ARG A 25 2.500 -5.005 -0.659 1.00 0.00 H new ATOM 0 HA ARG A 25 2.779 -7.786 -0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.413 -5.883 -0.550 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.183 -7.620 -0.492 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.101 -6.237 1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.383 -6.298 1.758 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.097 -8.774 1.250 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.756 -8.139 2.848 1.00 0.00 H new ATOM 0 HE ARG A 25 0.018 -9.762 1.212 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.157 -7.254 3.720 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.808 -7.706 4.156 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.097 -10.213 1.781 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.867 -9.321 3.097 1.00 0.00 H new ATOM 382 N HIS A 26 1.489 -6.584 -3.458 1.00 0.00 N ATOM 383 CA HIS A 26 1.160 -6.908 -4.845 1.00 0.00 C ATOM 384 C HIS A 26 2.252 -7.736 -5.532 1.00 0.00 C ATOM 385 O HIS A 26 1.957 -8.799 -6.074 1.00 0.00 O ATOM 386 CB HIS A 26 0.874 -5.625 -5.638 1.00 0.00 C ATOM 387 CG HIS A 26 0.008 -5.877 -6.839 1.00 0.00 C ATOM 388 ND1 HIS A 26 -1.232 -6.471 -6.811 1.00 0.00 N ATOM 389 CD2 HIS A 26 0.297 -5.565 -8.140 1.00 0.00 C ATOM 390 CE1 HIS A 26 -1.684 -6.515 -8.077 1.00 0.00 C ATOM 391 NE2 HIS A 26 -0.790 -5.971 -8.916 1.00 0.00 N ATOM 0 H HIS A 26 1.475 -5.583 -3.260 1.00 0.00 H new ATOM 0 HA HIS A 26 0.262 -7.526 -4.826 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.386 -4.900 -4.987 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.816 -5.182 -5.959 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.199 -5.092 -8.500 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -2.635 -6.931 -8.376 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.886 -5.873 -9.927 1.00 0.00 H new ATOM 399 N TYR A 27 3.511 -7.280 -5.470 1.00 0.00 N ATOM 400 CA TYR A 27 4.647 -8.055 -5.975 1.00 0.00 C ATOM 401 C TYR A 27 4.783 -9.394 -5.245 1.00 0.00 C ATOM 402 O TYR A 27 4.939 -10.426 -5.896 1.00 0.00 O ATOM 403 CB TYR A 27 5.943 -7.245 -5.862 1.00 0.00 C ATOM 404 CG TYR A 27 7.179 -8.033 -6.264 1.00 0.00 C ATOM 405 CD1 TYR A 27 7.845 -8.836 -5.314 1.00 0.00 C ATOM 406 CD2 TYR A 27 7.644 -7.989 -7.593 1.00 0.00 C ATOM 407 CE1 TYR A 27 8.981 -9.579 -5.682 1.00 0.00 C ATOM 408 CE2 TYR A 27 8.789 -8.719 -7.963 1.00 0.00 C ATOM 409 CZ TYR A 27 9.463 -9.509 -7.008 1.00 0.00 C ATOM 410 OH TYR A 27 10.588 -10.182 -7.362 1.00 0.00 O ATOM 0 H TYR A 27 3.766 -6.375 -5.073 1.00 0.00 H new ATOM 0 HA TYR A 27 4.460 -8.270 -7.027 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.865 -6.358 -6.491 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.059 -6.899 -4.835 1.00 0.00 H new ATOM 0 HD1 TYR A 27 7.480 -8.880 -4.298 1.00 0.00 H new ATOM 0 HD2 TYR A 27 7.122 -7.395 -8.328 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.482 -10.200 -4.954 1.00 0.00 H new ATOM 0 HE2 TYR A 27 9.152 -8.674 -8.979 1.00 0.00 H new ATOM 0 HH TYR A 27 10.778 -10.026 -8.311 1.00 0.00 H new ATOM 420 N LEU A 28 4.714 -9.396 -3.904 1.00 0.00 N ATOM 421 CA LEU A 28 4.848 -10.621 -3.110 1.00 0.00 C ATOM 422 C LEU A 28 3.811 -11.680 -3.517 1.00 0.00 C ATOM 423 O LEU A 28 4.129 -12.866 -3.580 1.00 0.00 O ATOM 424 CB LEU A 28 4.775 -10.274 -1.614 1.00 0.00 C ATOM 425 CG LEU A 28 5.353 -11.325 -0.641 1.00 0.00 C ATOM 426 CD1 LEU A 28 4.518 -12.606 -0.519 1.00 0.00 C ATOM 427 CD2 LEU A 28 6.802 -11.695 -0.983 1.00 0.00 C ATOM 0 H LEU A 28 4.565 -8.555 -3.347 1.00 0.00 H new ATOM 0 HA LEU A 28 5.822 -11.067 -3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.302 -9.333 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.731 -10.103 -1.353 1.00 0.00 H new ATOM 0 HG LEU A 28 5.320 -10.829 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.997 -13.287 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.520 -12.357 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.443 -13.086 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.166 -12.437 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.844 -12.108 -1.991 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.427 -10.804 -0.929 1.00 0.00 H new ATOM 439 N ASN A 29 2.599 -11.256 -3.889 1.00 0.00 N ATOM 440 CA ASN A 29 1.550 -12.142 -4.389 1.00 0.00 C ATOM 441 C ASN A 29 1.968 -12.943 -5.646 1.00 0.00 C ATOM 442 O ASN A 29 1.431 -14.021 -5.889 1.00 0.00 O ATOM 443 CB ASN A 29 0.288 -11.302 -4.638 1.00 0.00 C ATOM 444 CG ASN A 29 -0.989 -12.130 -4.614 1.00 0.00 C ATOM 445 OD1 ASN A 29 -1.199 -12.985 -3.769 1.00 0.00 O ATOM 446 ND2 ASN A 29 -1.911 -11.851 -5.513 1.00 0.00 N ATOM 0 H ASN A 29 2.318 -10.276 -3.850 1.00 0.00 H new ATOM 0 HA ASN A 29 1.351 -12.902 -3.633 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.223 -10.521 -3.881 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.374 -10.804 -5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.801 -12.350 -5.503 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.735 -11.136 -6.219 1.00 0.00 H new ATOM 453 N LEU A 30 2.956 -12.474 -6.423 1.00 0.00 N ATOM 454 CA LEU A 30 3.511 -13.215 -7.562 1.00 0.00 C ATOM 455 C LEU A 30 4.499 -14.325 -7.139 1.00 0.00 C ATOM 456 O LEU A 30 4.794 -15.234 -7.917 1.00 0.00 O ATOM 457 CB LEU A 30 4.177 -12.204 -8.513 1.00 0.00 C ATOM 458 CG LEU A 30 4.407 -12.717 -9.949 1.00 0.00 C ATOM 459 CD1 LEU A 30 3.081 -13.029 -10.655 1.00 0.00 C ATOM 460 CD2 LEU A 30 5.179 -11.655 -10.741 1.00 0.00 C ATOM 0 H LEU A 30 3.394 -11.564 -6.277 1.00 0.00 H new ATOM 0 HA LEU A 30 2.698 -13.734 -8.068 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.558 -11.308 -8.558 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.137 -11.908 -8.090 1.00 0.00 H new ATOM 0 HG LEU A 30 4.981 -13.642 -9.898 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.282 -13.388 -11.664 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.544 -13.796 -10.097 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.474 -12.125 -10.705 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.346 -12.010 -11.758 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.602 -10.731 -10.769 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.139 -11.468 -10.260 1.00 0.00 H new ATOM 472 N VAL A 31 4.978 -14.289 -5.890 1.00 0.00 N ATOM 473 CA VAL A 31 5.932 -15.249 -5.305 1.00 0.00 C ATOM 474 C VAL A 31 5.215 -16.474 -4.708 1.00 0.00 C ATOM 475 O VAL A 31 5.831 -17.321 -4.067 1.00 0.00 O ATOM 476 CB VAL A 31 6.851 -14.557 -4.264 1.00 0.00 C ATOM 477 CG1 VAL A 31 8.116 -15.391 -3.995 1.00 0.00 C ATOM 478 CG2 VAL A 31 7.299 -13.162 -4.726 1.00 0.00 C ATOM 0 H VAL A 31 4.703 -13.562 -5.229 1.00 0.00 H new ATOM 0 HA VAL A 31 6.566 -15.617 -6.112 1.00 0.00 H new ATOM 0 HB VAL A 31 6.256 -14.466 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.740 -14.880 -3.262 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.831 -16.370 -3.610 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.674 -15.515 -4.923 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.940 -12.716 -3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.851 -13.249 -5.662 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.424 -12.531 -4.878 1.00 0.00 H new ATOM 488 N THR A 32 3.900 -16.582 -4.928 1.00 0.00 N ATOM 489 CA THR A 32 3.031 -17.630 -4.378 1.00 0.00 C ATOM 490 C THR A 32 2.119 -18.255 -5.451 1.00 0.00 C ATOM 491 O THR A 32 1.078 -18.842 -5.164 1.00 0.00 O ATOM 492 CB THR A 32 2.310 -17.069 -3.140 1.00 0.00 C ATOM 493 OG1 THR A 32 1.708 -18.087 -2.386 1.00 0.00 O ATOM 494 CG2 THR A 32 1.292 -15.971 -3.448 1.00 0.00 C ATOM 0 H THR A 32 3.393 -15.919 -5.514 1.00 0.00 H new ATOM 0 HA THR A 32 3.624 -18.481 -4.041 1.00 0.00 H new ATOM 0 HB THR A 32 3.098 -16.601 -2.551 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.243 -18.707 -2.986 1.00 0.00 H new ATOM 0 HG21 THR A 32 0.831 -15.632 -2.520 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.795 -15.133 -3.930 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.523 -16.364 -4.113 1.00 0.00 H new ATOM 502 N ARG A 33 2.532 -18.176 -6.725 1.00 0.00 N ATOM 503 CA ARG A 33 1.834 -18.738 -7.896 1.00 0.00 C ATOM 504 C ARG A 33 1.929 -20.274 -8.009 1.00 0.00 C ATOM 505 O ARG A 33 1.977 -20.811 -9.115 1.00 0.00 O ATOM 506 CB ARG A 33 2.309 -18.011 -9.167 1.00 0.00 C ATOM 507 CG ARG A 33 3.786 -18.254 -9.517 1.00 0.00 C ATOM 508 CD ARG A 33 4.158 -17.497 -10.798 1.00 0.00 C ATOM 509 NE ARG A 33 5.332 -18.101 -11.453 1.00 0.00 N ATOM 510 CZ ARG A 33 5.331 -19.204 -12.196 1.00 0.00 C ATOM 511 NH1 ARG A 33 4.229 -19.884 -12.433 1.00 0.00 N ATOM 512 NH2 ARG A 33 6.453 -19.653 -12.709 1.00 0.00 N ATOM 0 H ARG A 33 3.397 -17.700 -6.980 1.00 0.00 H new ATOM 0 HA ARG A 33 0.767 -18.558 -7.763 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.691 -18.329 -10.007 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.148 -16.940 -9.041 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.421 -17.925 -8.694 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.965 -19.321 -9.651 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.312 -17.503 -11.485 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.368 -16.454 -10.559 1.00 0.00 H new ATOM 0 HE ARG A 33 6.227 -17.630 -11.325 1.00 0.00 H new ATOM 0 HH11 ARG A 33 3.341 -19.569 -12.042 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.263 -20.726 -13.007 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.327 -19.156 -12.538 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.451 -20.499 -13.279 1.00 0.00 H new ATOM 526 N GLN A 34 1.986 -20.979 -6.877 1.00 0.00 N ATOM 527 CA GLN A 34 2.116 -22.434 -6.807 1.00 0.00 C ATOM 528 C GLN A 34 0.779 -23.077 -6.392 1.00 0.00 C ATOM 529 O GLN A 34 -0.211 -22.399 -6.117 1.00 0.00 O ATOM 530 CB GLN A 34 3.318 -22.801 -5.898 1.00 0.00 C ATOM 531 CG GLN A 34 4.034 -24.103 -6.323 1.00 0.00 C ATOM 532 CD GLN A 34 5.491 -24.203 -5.844 1.00 0.00 C ATOM 533 OE1 GLN A 34 6.315 -23.321 -6.031 1.00 0.00 O ATOM 534 NE2 GLN A 34 5.891 -25.308 -5.243 1.00 0.00 N ATOM 0 H GLN A 34 1.942 -20.539 -5.958 1.00 0.00 H new ATOM 0 HA GLN A 34 2.337 -22.849 -7.790 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.036 -21.981 -5.908 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.969 -22.906 -4.871 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.476 -24.955 -5.935 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.014 -24.178 -7.410 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.228 -26.064 -5.072 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.863 -25.406 -4.950 1.00 0.00 H new ATOM 543 N ARG A 35 0.764 -24.412 -6.356 1.00 0.00 N ATOM 544 CA ARG A 35 -0.377 -25.270 -5.998 1.00 0.00 C ATOM 545 C ARG A 35 -0.098 -26.125 -4.751 1.00 0.00 C ATOM 546 O ARG A 35 -0.698 -27.184 -4.567 1.00 0.00 O ATOM 547 CB ARG A 35 -0.812 -26.079 -7.238 1.00 0.00 C ATOM 548 CG ARG A 35 0.319 -26.811 -7.992 1.00 0.00 C ATOM 549 CD ARG A 35 1.077 -27.864 -7.164 1.00 0.00 C ATOM 550 NE ARG A 35 0.164 -28.872 -6.594 1.00 0.00 N ATOM 551 CZ ARG A 35 -0.444 -29.860 -7.240 1.00 0.00 C ATOM 552 NH1 ARG A 35 -0.210 -30.092 -8.511 1.00 0.00 N ATOM 553 NH2 ARG A 35 -1.309 -30.627 -6.622 1.00 0.00 N ATOM 0 H ARG A 35 1.594 -24.958 -6.589 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.222 -24.647 -5.703 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.552 -26.816 -6.926 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.309 -25.403 -7.934 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.106 -27.298 -8.870 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.033 -26.071 -8.352 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.817 -28.358 -7.794 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.622 -27.371 -6.359 1.00 0.00 H new ATOM 0 HE ARG A 35 -0.021 -28.803 -5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.451 -29.507 -9.023 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.689 -30.857 -8.986 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -1.520 -30.467 -5.637 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.771 -31.384 -7.126 1.00 0.00 H new ATOM 567 N TYR A 36 0.873 -25.695 -3.941 1.00 0.00 N ATOM 568 CA TYR A 36 1.325 -26.383 -2.736 1.00 0.00 C ATOM 569 C TYR A 36 0.987 -25.549 -1.495 1.00 0.00 C ATOM 570 O TYR A 36 0.034 -25.835 -0.786 1.00 0.00 O ATOM 571 CB TYR A 36 2.816 -26.749 -2.866 1.00 0.00 C ATOM 572 CG TYR A 36 3.205 -27.970 -2.056 1.00 0.00 C ATOM 573 CD1 TYR A 36 2.711 -29.231 -2.445 1.00 0.00 C ATOM 574 CD2 TYR A 36 4.047 -27.860 -0.930 1.00 0.00 C ATOM 575 CE1 TYR A 36 3.046 -30.383 -1.712 1.00 0.00 C ATOM 576 CE2 TYR A 36 4.393 -29.013 -0.198 1.00 0.00 C ATOM 577 CZ TYR A 36 3.891 -30.276 -0.585 1.00 0.00 C ATOM 578 OH TYR A 36 4.220 -31.387 0.125 1.00 0.00 O ATOM 0 H TYR A 36 1.381 -24.828 -4.115 1.00 0.00 H new ATOM 0 HA TYR A 36 0.794 -27.327 -2.614 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.049 -26.928 -3.916 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.421 -25.901 -2.545 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.071 -29.313 -3.311 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.426 -26.894 -0.630 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.659 -31.346 -2.009 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.043 -28.931 0.661 1.00 0.00 H new ATOM 0 HH TYR A 36 4.809 -31.138 0.868 1.00 0.00 H new HETATM 588 N NH2 A 37 1.694 -24.465 -1.225 1.00 0.00 N TER 591 NH2 A 37