USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=11 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+ 145:sc= -0.0103 (180deg=-0.313) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0901) USER MOD Single : A 13 SER OG : rot 180:sc= 0.0261 USER MOD Single : A 18 SER OG : rot -38:sc= 1.35 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 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.0368 X(o=-0.037,f=-0.2) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc=-0.00626 K(o=-0.0063,f=-1.2) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0107 X(o=-0.011,f=-0.011) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 1.190 -4.157 18.061 1.00 0.00 N ATOM 2 CA TYR A 1 1.857 -3.076 17.302 1.00 0.00 C ATOM 3 C TYR A 1 2.307 -3.605 15.930 1.00 0.00 C ATOM 4 O TYR A 1 3.462 -3.989 15.768 1.00 0.00 O ATOM 5 CB TYR A 1 3.007 -2.470 18.130 1.00 0.00 C ATOM 6 CG TYR A 1 2.665 -1.162 18.822 1.00 0.00 C ATOM 7 CD1 TYR A 1 1.673 -1.114 19.824 1.00 0.00 C ATOM 8 CD2 TYR A 1 3.363 -0.006 18.468 1.00 0.00 C ATOM 9 CE1 TYR A 1 1.384 0.100 20.463 1.00 0.00 C ATOM 10 CE2 TYR A 1 3.091 1.212 19.119 1.00 0.00 C ATOM 11 CZ TYR A 1 2.101 1.270 20.123 1.00 0.00 C ATOM 12 OH TYR A 1 1.835 2.432 20.773 1.00 0.00 O ATOM 0 H1 TYR A 1 1.409 -4.057 19.073 1.00 0.00 H new ATOM 0 H2 TYR A 1 0.161 -4.095 17.921 1.00 0.00 H new ATOM 0 H3 TYR A 1 1.531 -5.080 17.723 1.00 0.00 H new ATOM 0 HA TYR A 1 1.156 -2.263 17.114 1.00 0.00 H new ATOM 0 HB2 TYR A 1 3.316 -3.195 18.883 1.00 0.00 H new ATOM 0 HB3 TYR A 1 3.863 -2.307 17.475 1.00 0.00 H new ATOM 0 HD1 TYR A 1 1.137 -2.011 20.098 1.00 0.00 H new ATOM 0 HD2 TYR A 1 4.114 -0.046 17.693 1.00 0.00 H new ATOM 0 HE1 TYR A 1 0.612 0.141 21.217 1.00 0.00 H new ATOM 0 HE2 TYR A 1 3.640 2.102 18.850 1.00 0.00 H new ATOM 0 HH TYR A 1 2.413 3.142 20.424 1.00 0.00 H new ATOM 24 N PRO A 2 1.387 -3.700 14.946 1.00 0.00 N ATOM 25 CA PRO A 2 1.742 -4.065 13.577 1.00 0.00 C ATOM 26 C PRO A 2 2.407 -2.909 12.826 1.00 0.00 C ATOM 27 O PRO A 2 2.245 -1.745 13.194 1.00 0.00 O ATOM 28 CB PRO A 2 0.424 -4.479 12.913 1.00 0.00 C ATOM 29 CG PRO A 2 -0.667 -3.753 13.706 1.00 0.00 C ATOM 30 CD PRO A 2 -0.026 -3.358 15.040 1.00 0.00 C ATOM 0 HA PRO A 2 2.475 -4.871 13.562 1.00 0.00 H new ATOM 0 HB2 PRO A 2 0.405 -4.192 11.862 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.286 -5.560 12.951 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -1.021 -2.874 13.168 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -1.530 -4.399 13.864 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.154 -2.292 15.230 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.498 -3.888 15.867 1.00 0.00 H new ATOM 38 N ALA A 3 3.127 -3.239 11.745 1.00 0.00 N ATOM 39 CA ALA A 3 3.855 -2.289 10.900 1.00 0.00 C ATOM 40 C ALA A 3 4.156 -2.890 9.507 1.00 0.00 C ATOM 41 O ALA A 3 5.289 -2.882 9.038 1.00 0.00 O ATOM 42 CB ALA A 3 5.122 -1.813 11.643 1.00 0.00 C ATOM 0 H ALA A 3 3.220 -4.204 11.427 1.00 0.00 H new ATOM 0 HA ALA A 3 3.233 -1.414 10.711 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.667 -1.106 11.017 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.836 -1.327 12.576 1.00 0.00 H new ATOM 0 HB3 ALA A 3 5.759 -2.670 11.861 1.00 0.00 H new ATOM 48 N LYS A 4 3.133 -3.458 8.849 1.00 0.00 N ATOM 49 CA LYS A 4 3.237 -3.973 7.473 1.00 0.00 C ATOM 50 C LYS A 4 3.494 -2.846 6.459 1.00 0.00 C ATOM 51 O LYS A 4 4.512 -2.892 5.774 1.00 0.00 O ATOM 52 CB LYS A 4 1.994 -4.810 7.101 1.00 0.00 C ATOM 53 CG LYS A 4 2.226 -6.319 7.210 1.00 0.00 C ATOM 54 CD LYS A 4 2.602 -6.775 8.625 1.00 0.00 C ATOM 55 CE LYS A 4 2.579 -8.306 8.673 1.00 0.00 C ATOM 56 NZ LYS A 4 1.182 -8.814 8.756 1.00 0.00 N ATOM 0 H LYS A 4 2.206 -3.574 9.258 1.00 0.00 H new ATOM 0 HA LYS A 4 4.103 -4.634 7.432 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.167 -4.529 7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.693 -4.568 6.082 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.323 -6.842 6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.019 -6.608 6.520 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.592 -6.404 8.890 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.902 -6.364 9.352 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.065 -8.709 7.784 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.149 -8.655 9.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.193 -9.819 9.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.657 -8.271 9.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.718 -8.708 7.831 1.00 0.00 H new ATOM 70 N PRO A 5 2.594 -1.854 6.317 1.00 0.00 N ATOM 71 CA PRO A 5 2.806 -0.762 5.386 1.00 0.00 C ATOM 72 C PRO A 5 3.902 0.151 5.910 1.00 0.00 C ATOM 73 O PRO A 5 3.686 0.900 6.864 1.00 0.00 O ATOM 74 CB PRO A 5 1.449 -0.068 5.244 1.00 0.00 C ATOM 75 CG PRO A 5 0.671 -0.421 6.506 1.00 0.00 C ATOM 76 CD PRO A 5 1.371 -1.645 7.082 1.00 0.00 C ATOM 0 HA PRO A 5 3.148 -1.093 4.405 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.569 1.011 5.147 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.925 -0.412 4.352 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.677 0.406 7.216 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.373 -0.636 6.277 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.600 -1.494 8.137 1.00 0.00 H new ATOM 0 HD3 PRO A 5 0.725 -2.521 7.018 1.00 0.00 H new ATOM 84 N GLU A 6 5.073 0.133 5.257 1.00 0.00 N ATOM 85 CA GLU A 6 6.183 1.020 5.619 1.00 0.00 C ATOM 86 C GLU A 6 5.807 2.508 5.459 1.00 0.00 C ATOM 87 O GLU A 6 4.925 2.870 4.672 1.00 0.00 O ATOM 88 CB GLU A 6 7.435 0.682 4.784 1.00 0.00 C ATOM 89 CG GLU A 6 8.731 0.837 5.603 1.00 0.00 C ATOM 90 CD GLU A 6 9.048 -0.434 6.408 1.00 0.00 C ATOM 91 OE1 GLU A 6 9.686 -1.341 5.824 1.00 0.00 O ATOM 92 OE2 GLU A 6 8.658 -0.474 7.598 1.00 0.00 O ATOM 0 H GLU A 6 5.274 -0.489 4.474 1.00 0.00 H new ATOM 0 HA GLU A 6 6.406 0.854 6.673 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.359 -0.341 4.414 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.477 1.334 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.561 1.060 4.933 1.00 0.00 H new ATOM 0 HG3 GLU A 6 8.634 1.684 6.282 1.00 0.00 H new ATOM 99 N ALA A 7 6.495 3.395 6.193 1.00 0.00 N ATOM 100 CA ALA A 7 6.262 4.830 6.098 1.00 0.00 C ATOM 101 C ALA A 7 6.861 5.378 4.786 1.00 0.00 C ATOM 102 O ALA A 7 8.053 5.172 4.542 1.00 0.00 O ATOM 103 CB ALA A 7 6.824 5.542 7.330 1.00 0.00 C ATOM 0 H ALA A 7 7.220 3.134 6.861 1.00 0.00 H new ATOM 0 HA ALA A 7 5.189 5.023 6.074 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.643 6.613 7.245 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.334 5.161 8.226 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.897 5.360 7.398 1.00 0.00 H new ATOM 109 N PRO A 8 6.069 6.048 3.930 1.00 0.00 N ATOM 110 CA PRO A 8 6.588 6.669 2.716 1.00 0.00 C ATOM 111 C PRO A 8 7.525 7.845 3.028 1.00 0.00 C ATOM 112 O PRO A 8 7.364 8.541 4.035 1.00 0.00 O ATOM 113 CB PRO A 8 5.356 7.078 1.912 1.00 0.00 C ATOM 114 CG PRO A 8 4.163 7.031 2.865 1.00 0.00 C ATOM 115 CD PRO A 8 4.661 6.346 4.128 1.00 0.00 C ATOM 0 HA PRO A 8 7.211 5.983 2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.480 8.079 1.499 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.204 6.403 1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.799 8.035 3.084 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.333 6.480 2.424 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.523 6.991 4.995 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.098 5.432 4.318 1.00 0.00 H new ATOM 123 N GLY A 9 8.514 8.077 2.153 1.00 0.00 N ATOM 124 CA GLY A 9 9.466 9.182 2.256 1.00 0.00 C ATOM 125 C GLY A 9 9.021 10.405 1.452 1.00 0.00 C ATOM 126 O GLY A 9 7.923 10.433 0.902 1.00 0.00 O ATOM 0 H GLY A 9 8.674 7.486 1.337 1.00 0.00 H new ATOM 0 HA2 GLY A 9 9.584 9.461 3.303 1.00 0.00 H new ATOM 0 HA3 GLY A 9 10.443 8.852 1.902 1.00 0.00 H new ATOM 130 N GLU A 10 9.868 11.431 1.401 1.00 0.00 N ATOM 131 CA GLU A 10 9.665 12.606 0.528 1.00 0.00 C ATOM 132 C GLU A 10 8.417 13.432 0.896 1.00 0.00 C ATOM 133 O GLU A 10 7.680 13.899 0.031 1.00 0.00 O ATOM 134 CB GLU A 10 9.721 12.161 -0.955 1.00 0.00 C ATOM 135 CG GLU A 10 10.574 13.096 -1.824 1.00 0.00 C ATOM 136 CD GLU A 10 11.258 12.404 -3.019 1.00 0.00 C ATOM 137 OE1 GLU A 10 11.652 11.219 -2.901 1.00 0.00 O ATOM 138 OE2 GLU A 10 11.402 13.094 -4.058 1.00 0.00 O ATOM 0 H GLU A 10 10.719 11.480 1.961 1.00 0.00 H new ATOM 0 HA GLU A 10 10.483 13.308 0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.125 11.150 -1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.708 12.122 -1.357 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.942 13.901 -2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.339 13.556 -1.199 1.00 0.00 H new ATOM 145 N ASP A 11 8.178 13.592 2.207 1.00 0.00 N ATOM 146 CA ASP A 11 6.990 14.236 2.798 1.00 0.00 C ATOM 147 C ASP A 11 5.699 13.419 2.591 1.00 0.00 C ATOM 148 O ASP A 11 4.633 13.878 2.994 1.00 0.00 O ATOM 149 CB ASP A 11 6.849 15.688 2.295 1.00 0.00 C ATOM 150 CG ASP A 11 6.325 16.660 3.358 1.00 0.00 C ATOM 151 OD1 ASP A 11 6.939 16.701 4.451 1.00 0.00 O ATOM 152 OD2 ASP A 11 5.361 17.398 3.046 1.00 0.00 O ATOM 0 H ASP A 11 8.834 13.263 2.916 1.00 0.00 H new ATOM 0 HA ASP A 11 7.144 14.268 3.877 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.820 16.037 1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.175 15.703 1.438 1.00 0.00 H new ATOM 157 N ALA A 12 5.808 12.210 2.008 1.00 0.00 N ATOM 158 CA ALA A 12 4.728 11.344 1.548 1.00 0.00 C ATOM 159 C ALA A 12 3.688 12.108 0.716 1.00 0.00 C ATOM 160 O ALA A 12 2.731 12.675 1.249 1.00 0.00 O ATOM 161 CB ALA A 12 4.128 10.604 2.737 1.00 0.00 C ATOM 0 H ALA A 12 6.723 11.791 1.838 1.00 0.00 H new ATOM 0 HA ALA A 12 5.136 10.598 0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.321 9.957 2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.898 10.000 3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.735 11.325 3.454 1.00 0.00 H new ATOM 167 N SER A 13 3.878 12.116 -0.607 1.00 0.00 N ATOM 168 CA SER A 13 3.001 12.860 -1.516 1.00 0.00 C ATOM 169 C SER A 13 1.514 12.450 -1.385 1.00 0.00 C ATOM 170 O SER A 13 1.202 11.373 -0.857 1.00 0.00 O ATOM 171 CB SER A 13 3.517 12.722 -2.957 1.00 0.00 C ATOM 172 OG SER A 13 2.765 11.763 -3.684 1.00 0.00 O ATOM 0 H SER A 13 4.634 11.614 -1.073 1.00 0.00 H new ATOM 0 HA SER A 13 3.033 13.912 -1.232 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.462 13.688 -3.459 1.00 0.00 H new ATOM 0 HB3 SER A 13 4.567 12.430 -2.943 1.00 0.00 H new ATOM 0 HG SER A 13 3.114 11.697 -4.597 1.00 0.00 H new ATOM 178 N PRO A 14 0.566 13.244 -1.930 1.00 0.00 N ATOM 179 CA PRO A 14 -0.850 12.892 -1.853 1.00 0.00 C ATOM 180 C PRO A 14 -1.173 11.611 -2.635 1.00 0.00 C ATOM 181 O PRO A 14 -2.162 10.938 -2.337 1.00 0.00 O ATOM 182 CB PRO A 14 -1.609 14.107 -2.391 1.00 0.00 C ATOM 183 CG PRO A 14 -0.600 14.877 -3.245 1.00 0.00 C ATOM 184 CD PRO A 14 0.778 14.400 -2.791 1.00 0.00 C ATOM 0 HA PRO A 14 -1.145 12.667 -0.828 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.471 13.800 -2.984 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.986 14.726 -1.577 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.753 14.678 -4.306 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.708 15.952 -3.104 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.396 14.134 -3.649 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.302 15.190 -2.253 1.00 0.00 H new ATOM 192 N GLU A 15 -0.329 11.234 -3.603 1.00 0.00 N ATOM 193 CA GLU A 15 -0.432 9.987 -4.350 1.00 0.00 C ATOM 194 C GLU A 15 0.040 8.796 -3.507 1.00 0.00 C ATOM 195 O GLU A 15 -0.586 7.728 -3.529 1.00 0.00 O ATOM 196 CB GLU A 15 0.372 10.115 -5.661 1.00 0.00 C ATOM 197 CG GLU A 15 -0.490 9.762 -6.880 1.00 0.00 C ATOM 198 CD GLU A 15 0.142 10.276 -8.179 1.00 0.00 C ATOM 199 OE1 GLU A 15 0.032 11.503 -8.435 1.00 0.00 O ATOM 200 OE2 GLU A 15 0.739 9.459 -8.909 1.00 0.00 O ATOM 0 H GLU A 15 0.464 11.807 -3.892 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.477 9.799 -4.597 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.748 11.133 -5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.240 9.457 -5.624 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.616 8.681 -6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.484 10.193 -6.762 1.00 0.00 H new ATOM 207 N GLU A 16 1.091 8.991 -2.703 1.00 0.00 N ATOM 208 CA GLU A 16 1.623 8.002 -1.770 1.00 0.00 C ATOM 209 C GLU A 16 0.608 7.621 -0.698 1.00 0.00 C ATOM 210 O GLU A 16 0.604 6.481 -0.253 1.00 0.00 O ATOM 211 CB GLU A 16 2.916 8.532 -1.131 1.00 0.00 C ATOM 212 CG GLU A 16 4.089 7.574 -1.371 1.00 0.00 C ATOM 213 CD GLU A 16 5.473 8.217 -1.240 1.00 0.00 C ATOM 214 OE1 GLU A 16 5.553 9.469 -1.306 1.00 0.00 O ATOM 215 OE2 GLU A 16 6.434 7.427 -1.075 1.00 0.00 O ATOM 0 H GLU A 16 1.608 9.870 -2.686 1.00 0.00 H new ATOM 0 HA GLU A 16 1.844 7.095 -2.333 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.154 9.512 -1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.766 8.666 -0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.018 6.748 -0.663 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.994 7.147 -2.369 1.00 0.00 H new ATOM 222 N LEU A 17 -0.322 8.509 -0.332 1.00 0.00 N ATOM 223 CA LEU A 17 -1.412 8.123 0.563 1.00 0.00 C ATOM 224 C LEU A 17 -2.201 6.922 0.008 1.00 0.00 C ATOM 225 O LEU A 17 -2.461 5.966 0.737 1.00 0.00 O ATOM 226 CB LEU A 17 -2.290 9.355 0.852 1.00 0.00 C ATOM 227 CG LEU A 17 -3.196 9.254 2.099 1.00 0.00 C ATOM 228 CD1 LEU A 17 -4.493 8.471 1.856 1.00 0.00 C ATOM 229 CD2 LEU A 17 -2.460 8.681 3.316 1.00 0.00 C ATOM 0 H LEU A 17 -0.341 9.482 -0.636 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.004 7.779 1.513 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.640 10.222 0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.920 9.542 -0.018 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.475 10.285 2.316 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.078 8.442 2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.072 8.960 1.073 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.252 7.454 1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.143 8.632 4.164 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.097 7.680 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.616 9.324 3.567 1.00 0.00 H new ATOM 241 N SER A 18 -2.501 6.912 -1.297 1.00 0.00 N ATOM 242 CA SER A 18 -3.163 5.780 -1.954 1.00 0.00 C ATOM 243 C SER A 18 -2.345 4.477 -1.885 1.00 0.00 C ATOM 244 O SER A 18 -2.914 3.378 -1.856 1.00 0.00 O ATOM 245 CB SER A 18 -3.520 6.144 -3.400 1.00 0.00 C ATOM 246 OG SER A 18 -2.397 6.122 -4.263 1.00 0.00 O ATOM 0 H SER A 18 -2.292 7.688 -1.925 1.00 0.00 H new ATOM 0 HA SER A 18 -4.082 5.580 -1.402 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.272 5.447 -3.771 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.969 7.137 -3.420 1.00 0.00 H new ATOM 0 HG SER A 18 -1.615 6.477 -3.791 1.00 0.00 H new ATOM 252 N ARG A 19 -1.013 4.583 -1.763 1.00 0.00 N ATOM 253 CA ARG A 19 -0.092 3.456 -1.586 1.00 0.00 C ATOM 254 C ARG A 19 -0.235 2.832 -0.197 1.00 0.00 C ATOM 255 O ARG A 19 -0.104 1.617 -0.072 1.00 0.00 O ATOM 256 CB ARG A 19 1.351 3.903 -1.924 1.00 0.00 C ATOM 257 CG ARG A 19 2.308 4.134 -0.739 1.00 0.00 C ATOM 258 CD ARG A 19 3.057 2.880 -0.316 1.00 0.00 C ATOM 259 NE ARG A 19 2.982 2.691 1.137 1.00 0.00 N ATOM 260 CZ ARG A 19 3.314 1.595 1.781 1.00 0.00 C ATOM 261 NH1 ARG A 19 3.796 0.544 1.161 1.00 0.00 N ATOM 262 NH2 ARG A 19 3.180 1.534 3.074 1.00 0.00 N ATOM 0 H ARG A 19 -0.535 5.484 -1.786 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.350 2.660 -2.284 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.795 3.150 -2.576 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.293 4.828 -2.498 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.029 4.906 -1.009 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.739 4.512 0.110 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.635 2.012 -0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 19 4.100 2.953 -0.624 1.00 0.00 H new ATOM 0 HE ARG A 19 2.644 3.476 1.694 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.923 0.562 0.149 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.044 -0.292 1.691 1.00 0.00 H new ATOM 0 HH21 ARG A 19 2.817 2.337 3.588 1.00 0.00 H new ATOM 0 HH22 ARG A 19 3.438 0.683 3.574 1.00 0.00 H new ATOM 276 N TYR A 20 -0.587 3.611 0.834 1.00 0.00 N ATOM 277 CA TYR A 20 -0.746 3.196 2.237 1.00 0.00 C ATOM 278 C TYR A 20 -2.008 2.317 2.468 1.00 0.00 C ATOM 279 O TYR A 20 -2.490 2.183 3.585 1.00 0.00 O ATOM 280 CB TYR A 20 -0.714 4.460 3.117 1.00 0.00 C ATOM 281 CG TYR A 20 -0.672 4.227 4.618 1.00 0.00 C ATOM 282 CD1 TYR A 20 0.513 3.792 5.241 1.00 0.00 C ATOM 283 CD2 TYR A 20 -1.846 4.385 5.382 1.00 0.00 C ATOM 284 CE1 TYR A 20 0.515 3.477 6.614 1.00 0.00 C ATOM 285 CE2 TYR A 20 -1.856 4.064 6.752 1.00 0.00 C ATOM 286 CZ TYR A 20 -0.677 3.589 7.369 1.00 0.00 C ATOM 287 OH TYR A 20 -0.686 3.245 8.685 1.00 0.00 O ATOM 0 H TYR A 20 -0.780 4.604 0.706 1.00 0.00 H new ATOM 0 HA TYR A 20 0.081 2.545 2.520 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.158 5.051 2.837 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.594 5.061 2.887 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.422 3.700 4.665 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.745 4.755 4.912 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.427 3.150 7.091 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.761 4.180 7.330 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.584 3.383 9.053 1.00 0.00 H new ATOM 297 N TYR A 21 -2.557 1.728 1.402 1.00 0.00 N ATOM 298 CA TYR A 21 -3.820 1.019 1.373 1.00 0.00 C ATOM 299 C TYR A 21 -3.837 -0.017 0.242 1.00 0.00 C ATOM 300 O TYR A 21 -4.046 -1.198 0.491 1.00 0.00 O ATOM 301 CB TYR A 21 -4.970 2.019 1.201 1.00 0.00 C ATOM 302 CG TYR A 21 -5.761 2.250 2.469 1.00 0.00 C ATOM 303 CD1 TYR A 21 -6.819 1.379 2.789 1.00 0.00 C ATOM 304 CD2 TYR A 21 -5.447 3.321 3.323 1.00 0.00 C ATOM 305 CE1 TYR A 21 -7.593 1.602 3.943 1.00 0.00 C ATOM 306 CE2 TYR A 21 -6.211 3.540 4.484 1.00 0.00 C ATOM 307 CZ TYR A 21 -7.290 2.699 4.788 1.00 0.00 C ATOM 308 OH TYR A 21 -8.050 2.938 5.891 1.00 0.00 O ATOM 0 H TYR A 21 -2.099 1.739 0.490 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.946 0.489 2.317 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.565 2.970 0.856 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.642 1.657 0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.037 0.538 2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -4.620 3.975 3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.413 0.941 4.183 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.965 4.359 5.143 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.706 3.727 6.360 1.00 0.00 H new ATOM 318 N ALA A 22 -3.563 0.409 -1.000 1.00 0.00 N ATOM 319 CA ALA A 22 -3.450 -0.537 -2.112 1.00 0.00 C ATOM 320 C ALA A 22 -2.261 -1.499 -1.911 1.00 0.00 C ATOM 321 O ALA A 22 -2.371 -2.699 -2.155 1.00 0.00 O ATOM 322 CB ALA A 22 -3.364 0.237 -3.435 1.00 0.00 C ATOM 0 H ALA A 22 -3.418 1.386 -1.254 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.342 -1.163 -2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.280 -0.467 -4.263 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.262 0.841 -3.562 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.489 0.887 -3.420 1.00 0.00 H new ATOM 328 N SER A 23 -1.132 -0.982 -1.399 1.00 0.00 N ATOM 329 CA SER A 23 0.047 -1.801 -1.129 1.00 0.00 C ATOM 330 C SER A 23 -0.198 -2.794 0.011 1.00 0.00 C ATOM 331 O SER A 23 0.399 -3.854 -0.036 1.00 0.00 O ATOM 332 CB SER A 23 1.271 -0.937 -0.818 1.00 0.00 C ATOM 333 OG SER A 23 2.478 -1.534 -1.255 1.00 0.00 O ATOM 0 H SER A 23 -1.017 0.004 -1.165 1.00 0.00 H new ATOM 0 HA SER A 23 0.246 -2.369 -2.038 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.156 0.036 -1.296 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.324 -0.760 0.256 1.00 0.00 H new ATOM 0 HG SER A 23 3.231 -0.946 -1.037 1.00 0.00 H new ATOM 339 N LEU A 24 -1.077 -2.500 0.985 1.00 0.00 N ATOM 340 CA LEU A 24 -1.448 -3.402 2.094 1.00 0.00 C ATOM 341 C LEU A 24 -1.965 -4.760 1.597 1.00 0.00 C ATOM 342 O LEU A 24 -1.654 -5.794 2.189 1.00 0.00 O ATOM 343 CB LEU A 24 -2.507 -2.709 2.983 1.00 0.00 C ATOM 344 CG LEU A 24 -1.972 -2.232 4.341 1.00 0.00 C ATOM 345 CD1 LEU A 24 -2.771 -1.019 4.826 1.00 0.00 C ATOM 346 CD2 LEU A 24 -2.029 -3.350 5.387 1.00 0.00 C ATOM 0 H LEU A 24 -1.563 -1.604 1.025 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.550 -3.606 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.914 -1.853 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.332 -3.401 3.153 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.928 -1.946 4.209 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.383 -0.689 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.679 -0.210 4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.821 -1.293 4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.643 -2.980 6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.061 -3.675 5.517 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.423 -4.192 5.053 1.00 0.00 H new ATOM 358 N ARG A 25 -2.717 -4.769 0.487 1.00 0.00 N ATOM 359 CA ARG A 25 -3.148 -5.988 -0.205 1.00 0.00 C ATOM 360 C ARG A 25 -1.982 -6.635 -0.953 1.00 0.00 C ATOM 361 O ARG A 25 -1.752 -7.834 -0.810 1.00 0.00 O ATOM 362 CB ARG A 25 -4.287 -5.637 -1.171 1.00 0.00 C ATOM 363 CG ARG A 25 -5.045 -6.881 -1.659 1.00 0.00 C ATOM 364 CD ARG A 25 -6.385 -7.077 -0.929 1.00 0.00 C ATOM 365 NE ARG A 25 -7.407 -7.624 -1.843 1.00 0.00 N ATOM 366 CZ ARG A 25 -8.725 -7.436 -1.793 1.00 0.00 C ATOM 367 NH1 ARG A 25 -9.313 -6.771 -0.829 1.00 0.00 N ATOM 368 NH2 ARG A 25 -9.504 -7.905 -2.733 1.00 0.00 N ATOM 0 H ARG A 25 -3.047 -3.914 0.039 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.504 -6.711 0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.984 -4.961 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.880 -5.103 -2.030 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.227 -6.795 -2.730 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.422 -7.763 -1.512 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.248 -7.752 -0.084 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.726 -6.124 -0.524 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.064 -8.214 -2.601 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.757 -6.371 -0.073 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.326 -6.654 -0.835 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.104 -8.422 -3.516 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.512 -7.754 -2.683 1.00 0.00 H new ATOM 382 N HIS A 26 -1.222 -5.846 -1.720 1.00 0.00 N ATOM 383 CA HIS A 26 -0.056 -6.344 -2.456 1.00 0.00 C ATOM 384 C HIS A 26 1.030 -6.921 -1.521 1.00 0.00 C ATOM 385 O HIS A 26 1.785 -7.807 -1.915 1.00 0.00 O ATOM 386 CB HIS A 26 0.481 -5.236 -3.381 1.00 0.00 C ATOM 387 CG HIS A 26 0.954 -5.763 -4.716 1.00 0.00 C ATOM 388 ND1 HIS A 26 0.218 -6.547 -5.579 1.00 0.00 N ATOM 389 CD2 HIS A 26 2.168 -5.519 -5.308 1.00 0.00 C ATOM 390 CE1 HIS A 26 0.985 -6.788 -6.658 1.00 0.00 C ATOM 391 NE2 HIS A 26 2.178 -6.180 -6.541 1.00 0.00 N ATOM 0 H HIS A 26 -1.397 -4.849 -1.847 1.00 0.00 H new ATOM 0 HA HIS A 26 -0.370 -7.184 -3.076 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -0.302 -4.495 -3.545 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.306 -4.724 -2.885 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.970 -4.924 -4.897 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.683 -7.388 -7.503 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.941 -6.197 -7.218 1.00 0.00 H new ATOM 398 N TYR A 27 1.051 -6.475 -0.259 1.00 0.00 N ATOM 399 CA TYR A 27 1.909 -6.933 0.829 1.00 0.00 C ATOM 400 C TYR A 27 1.605 -8.377 1.243 1.00 0.00 C ATOM 401 O TYR A 27 2.517 -9.170 1.464 1.00 0.00 O ATOM 402 CB TYR A 27 1.738 -6.008 2.042 1.00 0.00 C ATOM 403 CG TYR A 27 3.014 -5.824 2.825 1.00 0.00 C ATOM 404 CD1 TYR A 27 3.437 -6.824 3.718 1.00 0.00 C ATOM 405 CD2 TYR A 27 3.788 -4.663 2.632 1.00 0.00 C ATOM 406 CE1 TYR A 27 4.632 -6.653 4.437 1.00 0.00 C ATOM 407 CE2 TYR A 27 4.981 -4.491 3.353 1.00 0.00 C ATOM 408 CZ TYR A 27 5.396 -5.478 4.274 1.00 0.00 C ATOM 409 OH TYR A 27 6.514 -5.298 5.024 1.00 0.00 O ATOM 0 H TYR A 27 0.422 -5.732 0.045 1.00 0.00 H new ATOM 0 HA TYR A 27 2.937 -6.904 0.468 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.382 -5.035 1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.970 -6.417 2.699 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.847 -7.719 3.851 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.465 -3.907 1.931 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.967 -7.423 5.116 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.580 -3.605 3.203 1.00 0.00 H new ATOM 0 HH TYR A 27 6.928 -4.441 4.793 1.00 0.00 H new ATOM 419 N LEU A 28 0.319 -8.725 1.311 1.00 0.00 N ATOM 420 CA LEU A 28 -0.126 -10.105 1.540 1.00 0.00 C ATOM 421 C LEU A 28 0.421 -11.012 0.422 1.00 0.00 C ATOM 422 O LEU A 28 0.918 -12.108 0.697 1.00 0.00 O ATOM 423 CB LEU A 28 -1.666 -10.100 1.699 1.00 0.00 C ATOM 424 CG LEU A 28 -2.400 -11.353 1.182 1.00 0.00 C ATOM 425 CD1 LEU A 28 -2.167 -12.560 2.100 1.00 0.00 C ATOM 426 CD2 LEU A 28 -3.902 -11.086 1.038 1.00 0.00 C ATOM 0 H LEU A 28 -0.446 -8.058 1.209 1.00 0.00 H new ATOM 0 HA LEU A 28 0.273 -10.525 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.902 -9.974 2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.063 -9.229 1.178 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.988 -11.587 0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.699 -13.425 1.705 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.101 -12.780 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.536 -12.333 3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.398 -11.985 0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.317 -10.812 2.008 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.061 -10.271 0.332 1.00 0.00 H new ATOM 438 N ASN A 29 0.393 -10.537 -0.829 1.00 0.00 N ATOM 439 CA ASN A 29 0.926 -11.267 -1.978 1.00 0.00 C ATOM 440 C ASN A 29 2.466 -11.262 -2.045 1.00 0.00 C ATOM 441 O ASN A 29 3.049 -12.052 -2.783 1.00 0.00 O ATOM 442 CB ASN A 29 0.310 -10.741 -3.282 1.00 0.00 C ATOM 443 CG ASN A 29 -1.176 -11.035 -3.423 1.00 0.00 C ATOM 444 OD1 ASN A 29 -1.974 -10.901 -2.509 1.00 0.00 O ATOM 445 ND2 ASN A 29 -1.609 -11.443 -4.597 1.00 0.00 N ATOM 0 H ASN A 29 -0.004 -9.629 -1.071 1.00 0.00 H new ATOM 0 HA ASN A 29 0.638 -12.310 -1.846 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.464 -9.663 -3.337 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.840 -11.182 -4.127 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.600 -11.643 -4.734 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.954 -11.559 -5.370 1.00 0.00 H new ATOM 452 N LEU A 30 3.128 -10.408 -1.264 1.00 0.00 N ATOM 453 CA LEU A 30 4.582 -10.326 -1.138 1.00 0.00 C ATOM 454 C LEU A 30 5.092 -11.402 -0.165 1.00 0.00 C ATOM 455 O LEU A 30 6.054 -12.098 -0.478 1.00 0.00 O ATOM 456 CB LEU A 30 4.955 -8.862 -0.794 1.00 0.00 C ATOM 457 CG LEU A 30 6.252 -8.643 0.015 1.00 0.00 C ATOM 458 CD1 LEU A 30 7.079 -7.472 -0.534 1.00 0.00 C ATOM 459 CD2 LEU A 30 5.946 -8.371 1.498 1.00 0.00 C ATOM 0 H LEU A 30 2.645 -9.727 -0.678 1.00 0.00 H new ATOM 0 HA LEU A 30 5.095 -10.556 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.039 -8.305 -1.727 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.128 -8.424 -0.235 1.00 0.00 H new ATOM 0 HG LEU A 30 6.829 -9.563 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.982 -7.353 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.353 -7.674 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.489 -6.556 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.879 -8.221 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.329 -7.477 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.413 -9.222 1.922 1.00 0.00 H new ATOM 471 N VAL A 31 4.408 -11.619 0.966 1.00 0.00 N ATOM 472 CA VAL A 31 4.787 -12.667 1.931 1.00 0.00 C ATOM 473 C VAL A 31 4.400 -14.083 1.452 1.00 0.00 C ATOM 474 O VAL A 31 4.854 -15.065 2.021 1.00 0.00 O ATOM 475 CB VAL A 31 4.249 -12.318 3.341 1.00 0.00 C ATOM 476 CG1 VAL A 31 4.548 -13.388 4.403 1.00 0.00 C ATOM 477 CG2 VAL A 31 4.852 -10.972 3.812 1.00 0.00 C ATOM 0 H VAL A 31 3.585 -11.081 1.239 1.00 0.00 H new ATOM 0 HA VAL A 31 5.875 -12.691 2.000 1.00 0.00 H new ATOM 0 HB VAL A 31 3.165 -12.257 3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.140 -13.072 5.363 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.090 -14.332 4.107 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.626 -13.520 4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.471 -10.730 4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.938 -11.054 3.850 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.572 -10.184 3.114 1.00 0.00 H new ATOM 487 N THR A 32 3.650 -14.211 0.350 1.00 0.00 N ATOM 488 CA THR A 32 3.192 -15.494 -0.203 1.00 0.00 C ATOM 489 C THR A 32 3.887 -15.859 -1.529 1.00 0.00 C ATOM 490 O THR A 32 3.412 -16.699 -2.297 1.00 0.00 O ATOM 491 CB THR A 32 1.649 -15.510 -0.244 1.00 0.00 C ATOM 492 OG1 THR A 32 1.142 -16.815 -0.126 1.00 0.00 O ATOM 493 CG2 THR A 32 1.040 -14.879 -1.495 1.00 0.00 C ATOM 0 H THR A 32 3.337 -13.408 -0.195 1.00 0.00 H new ATOM 0 HA THR A 32 3.499 -16.304 0.459 1.00 0.00 H new ATOM 0 HB THR A 32 1.359 -14.900 0.611 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.163 -16.789 -0.154 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.047 -14.935 -1.438 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.347 -13.835 -1.562 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.385 -15.416 -2.378 1.00 0.00 H new ATOM 501 N ARG A 33 5.027 -15.212 -1.814 1.00 0.00 N ATOM 502 CA ARG A 33 5.786 -15.376 -3.063 1.00 0.00 C ATOM 503 C ARG A 33 7.260 -14.981 -2.921 1.00 0.00 C ATOM 504 O ARG A 33 7.864 -14.444 -3.847 1.00 0.00 O ATOM 505 CB ARG A 33 5.065 -14.606 -4.191 1.00 0.00 C ATOM 506 CG ARG A 33 4.937 -15.440 -5.476 1.00 0.00 C ATOM 507 CD ARG A 33 6.287 -15.878 -6.063 1.00 0.00 C ATOM 508 NE ARG A 33 6.195 -16.171 -7.503 1.00 0.00 N ATOM 509 CZ ARG A 33 6.206 -15.260 -8.475 1.00 0.00 C ATOM 510 NH1 ARG A 33 6.235 -13.976 -8.214 1.00 0.00 N ATOM 511 NH2 ARG A 33 6.191 -15.634 -9.734 1.00 0.00 N ATOM 0 H ARG A 33 5.456 -14.547 -1.170 1.00 0.00 H new ATOM 0 HA ARG A 33 5.812 -16.435 -3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.072 -14.312 -3.850 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.612 -13.688 -4.409 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.337 -16.326 -5.266 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.397 -14.859 -6.224 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.025 -15.093 -5.900 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.641 -16.763 -5.535 1.00 0.00 H new ATOM 0 HE ARG A 33 6.117 -17.150 -7.778 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.250 -13.652 -7.247 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.243 -13.300 -8.978 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.171 -16.626 -9.971 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.199 -14.933 -10.475 1.00 0.00 H new ATOM 525 N GLN A 34 7.858 -15.266 -1.764 1.00 0.00 N ATOM 526 CA GLN A 34 9.259 -14.972 -1.495 1.00 0.00 C ATOM 527 C GLN A 34 9.976 -16.202 -0.952 1.00 0.00 C ATOM 528 O GLN A 34 9.353 -17.108 -0.403 1.00 0.00 O ATOM 529 CB GLN A 34 9.368 -13.779 -0.524 1.00 0.00 C ATOM 530 CG GLN A 34 10.429 -12.760 -0.970 1.00 0.00 C ATOM 531 CD GLN A 34 9.949 -11.889 -2.133 1.00 0.00 C ATOM 532 OE1 GLN A 34 9.133 -10.992 -1.985 1.00 0.00 O ATOM 533 NE2 GLN A 34 10.460 -12.087 -3.333 1.00 0.00 N ATOM 0 H GLN A 34 7.376 -15.711 -0.983 1.00 0.00 H new ATOM 0 HA GLN A 34 9.749 -14.698 -2.429 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.400 -13.284 -0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.615 -14.145 0.472 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.693 -12.122 -0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.335 -13.289 -1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.143 -12.830 -3.480 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.172 -11.497 -4.114 1.00 0.00 H new ATOM 542 N ARG A 35 11.302 -16.223 -1.115 1.00 0.00 N ATOM 543 CA ARG A 35 12.165 -17.306 -0.659 1.00 0.00 C ATOM 544 C ARG A 35 13.577 -16.749 -0.534 1.00 0.00 C ATOM 545 O ARG A 35 14.150 -16.404 -1.558 1.00 0.00 O ATOM 546 CB ARG A 35 12.084 -18.478 -1.669 1.00 0.00 C ATOM 547 CG ARG A 35 12.168 -19.854 -0.991 1.00 0.00 C ATOM 548 CD ARG A 35 13.566 -20.468 -1.085 1.00 0.00 C ATOM 549 NE ARG A 35 13.575 -21.794 -0.449 1.00 0.00 N ATOM 550 CZ ARG A 35 14.495 -22.741 -0.580 1.00 0.00 C ATOM 551 NH1 ARG A 35 15.573 -22.564 -1.312 1.00 0.00 N ATOM 552 NH2 ARG A 35 14.340 -23.888 0.043 1.00 0.00 N ATOM 0 H ARG A 35 11.812 -15.470 -1.578 1.00 0.00 H new ATOM 0 HA ARG A 35 11.854 -17.693 0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.149 -18.408 -2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 35 12.893 -18.385 -2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.887 -19.757 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.447 -20.528 -1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.865 -20.554 -2.130 1.00 0.00 H new ATOM 0 HD3 ARG A 35 14.292 -19.817 -0.598 1.00 0.00 H new ATOM 0 HE ARG A 35 12.786 -22.010 0.161 1.00 0.00 H new ATOM 0 HH11 ARG A 35 15.720 -21.680 -1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 35 16.263 -23.311 -1.393 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.516 -24.046 0.623 1.00 0.00 H new ATOM 0 HH22 ARG A 35 15.044 -24.620 -0.054 1.00 0.00 H new ATOM 566 N TYR A 36 14.087 -16.648 0.699 1.00 0.00 N ATOM 567 CA TYR A 36 15.453 -16.201 0.995 1.00 0.00 C ATOM 568 C TYR A 36 15.838 -14.863 0.295 1.00 0.00 C ATOM 569 O TYR A 36 16.433 -14.794 -0.771 1.00 0.00 O ATOM 570 CB TYR A 36 16.406 -17.385 0.751 1.00 0.00 C ATOM 571 CG TYR A 36 17.855 -17.025 0.503 1.00 0.00 C ATOM 572 CD1 TYR A 36 18.596 -16.350 1.488 1.00 0.00 C ATOM 573 CD2 TYR A 36 18.417 -17.286 -0.763 1.00 0.00 C ATOM 574 CE1 TYR A 36 19.883 -15.876 1.188 1.00 0.00 C ATOM 575 CE2 TYR A 36 19.709 -16.825 -1.063 1.00 0.00 C ATOM 576 CZ TYR A 36 20.430 -16.088 -0.100 1.00 0.00 C ATOM 577 OH TYR A 36 21.621 -15.514 -0.441 1.00 0.00 O ATOM 0 H TYR A 36 13.551 -16.879 1.535 1.00 0.00 H new ATOM 0 HA TYR A 36 15.537 -15.922 2.045 1.00 0.00 H new ATOM 0 HB2 TYR A 36 16.359 -18.049 1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 36 16.040 -17.951 -0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 36 18.177 -16.197 2.472 1.00 0.00 H new ATOM 0 HD2 TYR A 36 17.855 -17.839 -1.501 1.00 0.00 H new ATOM 0 HE1 TYR A 36 20.455 -15.351 1.939 1.00 0.00 H new ATOM 0 HE2 TYR A 36 20.149 -17.034 -2.027 1.00 0.00 H new ATOM 0 HH TYR A 36 21.853 -15.762 -1.360 1.00 0.00 H new HETATM 587 N NH2 A 37 15.512 -13.733 0.899 1.00 0.00 N TER 590 NH2 A 37