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+ 138:sc= 0.115 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -162:sc= -0.0104 (180deg=-0.103) USER MOD Single : A 13 SER OG : rot 180:sc= 0.116 USER MOD Single : A 18 SER OG : rot 180:sc= 0.00216 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= -0.126 X(o=-0.13,f=-0.33) USER MOD Single : A 27 TYR OH : rot -12:sc= 0.272 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -34:sc= 0.327 USER MOD Single : A 34 GLN : amide:sc= -0.005 X(o=-0.005,f=-0.005) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 15.052 -11.453 9.861 1.00 0.00 N ATOM 2 CA TYR A 1 14.630 -10.182 10.471 1.00 0.00 C ATOM 3 C TYR A 1 13.243 -9.800 9.957 1.00 0.00 C ATOM 4 O TYR A 1 12.928 -10.162 8.826 1.00 0.00 O ATOM 5 CB TYR A 1 15.636 -9.059 10.183 1.00 0.00 C ATOM 6 CG TYR A 1 16.766 -9.002 11.191 1.00 0.00 C ATOM 7 CD1 TYR A 1 16.559 -8.349 12.425 1.00 0.00 C ATOM 8 CD2 TYR A 1 18.024 -9.573 10.899 1.00 0.00 C ATOM 9 CE1 TYR A 1 17.605 -8.243 13.358 1.00 0.00 C ATOM 10 CE2 TYR A 1 19.070 -9.481 11.838 1.00 0.00 C ATOM 11 CZ TYR A 1 18.871 -8.805 13.060 1.00 0.00 C ATOM 12 OH TYR A 1 19.899 -8.656 13.934 1.00 0.00 O ATOM 0 H1 TYR A 1 16.054 -11.392 9.589 1.00 0.00 H new ATOM 0 H2 TYR A 1 14.926 -12.226 10.546 1.00 0.00 H new ATOM 0 H3 TYR A 1 14.475 -11.641 9.016 1.00 0.00 H new ATOM 0 HA TYR A 1 14.591 -10.318 11.552 1.00 0.00 H new ATOM 0 HB2 TYR A 1 16.053 -9.200 9.186 1.00 0.00 H new ATOM 0 HB3 TYR A 1 15.113 -8.103 10.178 1.00 0.00 H new ATOM 0 HD1 TYR A 1 15.591 -7.928 12.654 1.00 0.00 H new ATOM 0 HD2 TYR A 1 18.184 -10.079 9.958 1.00 0.00 H new ATOM 0 HE1 TYR A 1 17.444 -7.735 14.298 1.00 0.00 H new ATOM 0 HE2 TYR A 1 20.028 -9.930 11.621 1.00 0.00 H new ATOM 0 HH TYR A 1 20.697 -9.102 13.580 1.00 0.00 H new ATOM 24 N PRO A 2 12.415 -9.110 10.767 1.00 0.00 N ATOM 25 CA PRO A 2 11.143 -8.589 10.312 1.00 0.00 C ATOM 26 C PRO A 2 11.339 -7.427 9.330 1.00 0.00 C ATOM 27 O PRO A 2 12.418 -6.843 9.220 1.00 0.00 O ATOM 28 CB PRO A 2 10.401 -8.151 11.579 1.00 0.00 C ATOM 29 CG PRO A 2 11.487 -7.901 12.622 1.00 0.00 C ATOM 30 CD PRO A 2 12.737 -8.616 12.096 1.00 0.00 C ATOM 0 HA PRO A 2 10.571 -9.338 9.763 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.815 -7.250 11.399 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.706 -8.922 11.913 1.00 0.00 H new ATOM 0 HG2 PRO A 2 11.670 -6.834 12.749 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.192 -8.292 13.596 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.585 -7.933 12.059 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.018 -9.437 12.755 1.00 0.00 H new ATOM 38 N ALA A 3 10.249 -7.073 8.652 1.00 0.00 N ATOM 39 CA ALA A 3 10.164 -5.982 7.700 1.00 0.00 C ATOM 40 C ALA A 3 8.771 -5.379 7.851 1.00 0.00 C ATOM 41 O ALA A 3 7.789 -5.958 7.390 1.00 0.00 O ATOM 42 CB ALA A 3 10.446 -6.515 6.290 1.00 0.00 C ATOM 0 H ALA A 3 9.363 -7.566 8.761 1.00 0.00 H new ATOM 0 HA ALA A 3 10.905 -5.204 7.881 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.383 -5.697 5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.445 -6.949 6.258 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.711 -7.278 6.036 1.00 0.00 H new ATOM 48 N LYS A 4 8.670 -4.281 8.611 1.00 0.00 N ATOM 49 CA LYS A 4 7.405 -3.549 8.778 1.00 0.00 C ATOM 50 C LYS A 4 7.002 -2.862 7.465 1.00 0.00 C ATOM 51 O LYS A 4 7.874 -2.553 6.644 1.00 0.00 O ATOM 52 CB LYS A 4 7.503 -2.540 9.933 1.00 0.00 C ATOM 53 CG LYS A 4 7.608 -3.248 11.293 1.00 0.00 C ATOM 54 CD LYS A 4 9.062 -3.404 11.781 1.00 0.00 C ATOM 55 CE LYS A 4 9.265 -2.748 13.150 1.00 0.00 C ATOM 56 NZ LYS A 4 9.056 -1.276 13.095 1.00 0.00 N ATOM 0 H LYS A 4 9.454 -3.877 9.124 1.00 0.00 H new ATOM 0 HA LYS A 4 6.624 -4.265 9.034 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.374 -1.901 9.786 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.627 -1.891 9.926 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.040 -2.685 12.034 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.148 -4.233 11.220 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.315 -4.462 11.842 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.741 -2.955 11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 4 8.573 -3.187 13.869 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.273 -2.959 13.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 9.487 -0.833 13.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.498 -0.894 12.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.037 -1.070 13.081 1.00 0.00 H new ATOM 70 N PRO A 5 5.702 -2.604 7.256 1.00 0.00 N ATOM 71 CA PRO A 5 5.229 -1.952 6.042 1.00 0.00 C ATOM 72 C PRO A 5 5.633 -0.476 6.007 1.00 0.00 C ATOM 73 O PRO A 5 5.611 0.210 7.031 1.00 0.00 O ATOM 74 CB PRO A 5 3.724 -2.200 6.013 1.00 0.00 C ATOM 75 CG PRO A 5 3.307 -2.487 7.455 1.00 0.00 C ATOM 76 CD PRO A 5 4.597 -2.884 8.169 1.00 0.00 C ATOM 0 HA PRO A 5 5.684 -2.357 5.138 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.195 -1.332 5.621 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.481 -3.041 5.364 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.854 -1.609 7.917 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.569 -3.288 7.500 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.712 -2.322 9.096 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.578 -3.940 8.437 1.00 0.00 H new ATOM 84 N GLU A 6 6.014 0.010 4.818 1.00 0.00 N ATOM 85 CA GLU A 6 6.429 1.398 4.615 1.00 0.00 C ATOM 86 C GLU A 6 5.284 2.362 4.957 1.00 0.00 C ATOM 87 O GLU A 6 4.122 2.052 4.721 1.00 0.00 O ATOM 88 CB GLU A 6 6.851 1.635 3.156 1.00 0.00 C ATOM 89 CG GLU A 6 7.934 2.721 3.045 1.00 0.00 C ATOM 90 CD GLU A 6 9.333 2.110 2.896 1.00 0.00 C ATOM 91 OE1 GLU A 6 9.874 1.683 3.938 1.00 0.00 O ATOM 92 OE2 GLU A 6 9.834 2.087 1.749 1.00 0.00 O ATOM 0 H GLU A 6 6.042 -0.554 3.968 1.00 0.00 H new ATOM 0 HA GLU A 6 7.276 1.585 5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 6 7.225 0.704 2.730 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.981 1.928 2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.722 3.360 2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.906 3.356 3.931 1.00 0.00 H new ATOM 99 N ALA A 7 5.610 3.542 5.475 1.00 0.00 N ATOM 100 CA ALA A 7 4.624 4.545 5.900 1.00 0.00 C ATOM 101 C ALA A 7 5.371 5.833 6.292 1.00 0.00 C ATOM 102 O ALA A 7 5.803 5.971 7.439 1.00 0.00 O ATOM 103 CB ALA A 7 3.740 3.985 7.032 1.00 0.00 C ATOM 0 H ALA A 7 6.576 3.838 5.615 1.00 0.00 H new ATOM 0 HA ALA A 7 3.944 4.789 5.084 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.015 4.740 7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 7 3.214 3.099 6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 7 4.365 3.719 7.884 1.00 0.00 H new ATOM 109 N PRO A 8 5.597 6.754 5.337 1.00 0.00 N ATOM 110 CA PRO A 8 6.238 8.030 5.619 1.00 0.00 C ATOM 111 C PRO A 8 5.310 8.913 6.467 1.00 0.00 C ATOM 112 O PRO A 8 4.134 9.063 6.158 1.00 0.00 O ATOM 113 CB PRO A 8 6.567 8.648 4.257 1.00 0.00 C ATOM 114 CG PRO A 8 5.680 7.913 3.247 1.00 0.00 C ATOM 115 CD PRO A 8 5.166 6.666 3.951 1.00 0.00 C ATOM 0 HA PRO A 8 7.151 7.918 6.204 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.362 9.719 4.252 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.623 8.524 4.015 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.853 8.545 2.925 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.246 7.649 2.354 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.079 6.607 3.888 1.00 0.00 H new ATOM 0 HD3 PRO A 8 5.562 5.766 3.480 1.00 0.00 H new ATOM 123 N GLY A 9 5.858 9.486 7.543 1.00 0.00 N ATOM 124 CA GLY A 9 5.154 10.362 8.475 1.00 0.00 C ATOM 125 C GLY A 9 5.674 11.791 8.357 1.00 0.00 C ATOM 126 O GLY A 9 6.874 11.988 8.224 1.00 0.00 O ATOM 0 H GLY A 9 6.837 9.346 7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 9 4.084 10.339 8.268 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.289 10.002 9.495 1.00 0.00 H new ATOM 130 N GLU A 10 4.762 12.775 8.390 1.00 0.00 N ATOM 131 CA GLU A 10 5.022 14.219 8.198 1.00 0.00 C ATOM 132 C GLU A 10 5.800 14.573 6.898 1.00 0.00 C ATOM 133 O GLU A 10 6.299 15.686 6.745 1.00 0.00 O ATOM 134 CB GLU A 10 5.654 14.802 9.485 1.00 0.00 C ATOM 135 CG GLU A 10 5.219 16.258 9.788 1.00 0.00 C ATOM 136 CD GLU A 10 4.288 16.353 11.010 1.00 0.00 C ATOM 137 OE1 GLU A 10 3.082 16.064 10.831 1.00 0.00 O ATOM 138 OE2 GLU A 10 4.770 16.730 12.107 1.00 0.00 O ATOM 0 H GLU A 10 3.775 12.581 8.559 1.00 0.00 H new ATOM 0 HA GLU A 10 4.061 14.706 8.033 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.385 14.168 10.330 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.740 14.768 9.394 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.104 16.870 9.961 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.712 16.671 8.916 1.00 0.00 H new ATOM 145 N ASP A 11 5.893 13.625 5.952 1.00 0.00 N ATOM 146 CA ASP A 11 6.728 13.674 4.738 1.00 0.00 C ATOM 147 C ASP A 11 6.064 12.891 3.588 1.00 0.00 C ATOM 148 O ASP A 11 6.668 12.063 2.919 1.00 0.00 O ATOM 149 CB ASP A 11 8.156 13.181 5.049 1.00 0.00 C ATOM 150 CG ASP A 11 9.196 13.865 4.144 1.00 0.00 C ATOM 151 OD1 ASP A 11 9.375 13.434 2.985 1.00 0.00 O ATOM 152 OD2 ASP A 11 9.800 14.860 4.608 1.00 0.00 O ATOM 0 H ASP A 11 5.360 12.757 6.015 1.00 0.00 H new ATOM 0 HA ASP A 11 6.814 14.708 4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.392 13.382 6.094 1.00 0.00 H new ATOM 0 HB3 ASP A 11 8.207 12.101 4.913 1.00 0.00 H new ATOM 157 N ALA A 12 4.757 13.112 3.411 1.00 0.00 N ATOM 158 CA ALA A 12 3.929 12.463 2.403 1.00 0.00 C ATOM 159 C ALA A 12 2.542 13.088 2.372 1.00 0.00 C ATOM 160 O ALA A 12 1.838 13.131 3.383 1.00 0.00 O ATOM 161 CB ALA A 12 3.848 10.963 2.700 1.00 0.00 C ATOM 0 H ALA A 12 4.234 13.771 3.988 1.00 0.00 H new ATOM 0 HA ALA A 12 4.379 12.603 1.420 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.229 10.476 1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 12 4.850 10.533 2.680 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.408 10.810 3.685 1.00 0.00 H new ATOM 167 N SER A 13 2.159 13.585 1.197 1.00 0.00 N ATOM 168 CA SER A 13 0.840 14.145 0.901 1.00 0.00 C ATOM 169 C SER A 13 -0.293 13.126 1.136 1.00 0.00 C ATOM 170 O SER A 13 -0.042 11.921 1.220 1.00 0.00 O ATOM 171 CB SER A 13 0.812 14.667 -0.553 1.00 0.00 C ATOM 172 OG SER A 13 2.067 14.594 -1.209 1.00 0.00 O ATOM 0 H SER A 13 2.784 13.610 0.392 1.00 0.00 H new ATOM 0 HA SER A 13 0.666 14.973 1.589 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.081 14.093 -1.122 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.473 15.703 -0.551 1.00 0.00 H new ATOM 0 HG SER A 13 1.979 14.937 -2.123 1.00 0.00 H new ATOM 178 N PRO A 14 -1.572 13.571 1.151 1.00 0.00 N ATOM 179 CA PRO A 14 -2.702 12.670 1.373 1.00 0.00 C ATOM 180 C PRO A 14 -2.873 11.642 0.240 1.00 0.00 C ATOM 181 O PRO A 14 -3.447 10.576 0.459 1.00 0.00 O ATOM 182 CB PRO A 14 -3.923 13.571 1.552 1.00 0.00 C ATOM 183 CG PRO A 14 -3.545 14.916 0.928 1.00 0.00 C ATOM 184 CD PRO A 14 -2.027 14.918 0.824 1.00 0.00 C ATOM 0 HA PRO A 14 -2.544 12.053 2.257 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -4.798 13.145 1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.173 13.686 2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.004 15.033 -0.054 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.895 15.744 1.544 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.710 15.198 -0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.595 15.647 1.509 1.00 0.00 H new ATOM 192 N GLU A 15 -2.294 11.914 -0.940 1.00 0.00 N ATOM 193 CA GLU A 15 -2.230 11.011 -2.093 1.00 0.00 C ATOM 194 C GLU A 15 -1.332 9.787 -1.822 1.00 0.00 C ATOM 195 O GLU A 15 -1.626 8.694 -2.305 1.00 0.00 O ATOM 196 CB GLU A 15 -1.739 11.810 -3.327 1.00 0.00 C ATOM 197 CG GLU A 15 -2.718 11.736 -4.513 1.00 0.00 C ATOM 198 CD GLU A 15 -2.502 12.867 -5.544 1.00 0.00 C ATOM 199 OE1 GLU A 15 -2.775 14.042 -5.214 1.00 0.00 O ATOM 200 OE2 GLU A 15 -2.071 12.573 -6.682 1.00 0.00 O ATOM 0 H GLU A 15 -1.839 12.809 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.228 10.617 -2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.595 12.853 -3.045 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.767 11.427 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.606 10.772 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.740 11.784 -4.137 1.00 0.00 H new ATOM 207 N GLU A 16 -0.279 9.939 -1.004 1.00 0.00 N ATOM 208 CA GLU A 16 0.607 8.839 -0.652 1.00 0.00 C ATOM 209 C GLU A 16 -0.108 7.828 0.252 1.00 0.00 C ATOM 210 O GLU A 16 0.075 6.631 0.117 1.00 0.00 O ATOM 211 CB GLU A 16 1.877 9.362 0.042 1.00 0.00 C ATOM 212 CG GLU A 16 3.174 8.660 -0.413 1.00 0.00 C ATOM 213 CD GLU A 16 3.567 8.925 -1.876 1.00 0.00 C ATOM 214 OE1 GLU A 16 2.873 9.719 -2.547 1.00 0.00 O ATOM 215 OE2 GLU A 16 4.573 8.297 -2.307 1.00 0.00 O ATOM 0 H GLU A 16 -0.026 10.828 -0.574 1.00 0.00 H new ATOM 0 HA GLU A 16 0.895 8.335 -1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.969 10.431 -0.148 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.767 9.238 1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.991 8.982 0.233 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.059 7.585 -0.271 1.00 0.00 H new ATOM 222 N LEU A 17 -0.997 8.279 1.143 1.00 0.00 N ATOM 223 CA LEU A 17 -1.779 7.362 1.975 1.00 0.00 C ATOM 224 C LEU A 17 -2.635 6.403 1.122 1.00 0.00 C ATOM 225 O LEU A 17 -2.745 5.215 1.414 1.00 0.00 O ATOM 226 CB LEU A 17 -2.652 8.179 2.935 1.00 0.00 C ATOM 227 CG LEU A 17 -2.837 7.451 4.282 1.00 0.00 C ATOM 228 CD1 LEU A 17 -1.928 8.076 5.345 1.00 0.00 C ATOM 229 CD2 LEU A 17 -4.300 7.502 4.740 1.00 0.00 C ATOM 0 H LEU A 17 -1.191 9.267 1.305 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.094 6.738 2.549 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.195 9.154 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.626 8.359 2.480 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.562 6.405 4.146 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.065 7.556 6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.888 7.989 5.031 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.183 9.128 5.469 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -4.402 6.981 5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.608 8.541 4.860 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.932 7.020 3.994 1.00 0.00 H new ATOM 241 N SER A 18 -3.200 6.909 0.018 1.00 0.00 N ATOM 242 CA SER A 18 -3.935 6.112 -0.968 1.00 0.00 C ATOM 243 C SER A 18 -3.033 5.123 -1.730 1.00 0.00 C ATOM 244 O SER A 18 -3.523 4.103 -2.213 1.00 0.00 O ATOM 245 CB SER A 18 -4.645 7.046 -1.963 1.00 0.00 C ATOM 246 OG SER A 18 -5.241 8.153 -1.312 1.00 0.00 O ATOM 0 H SER A 18 -3.157 7.901 -0.217 1.00 0.00 H new ATOM 0 HA SER A 18 -4.666 5.517 -0.420 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.928 7.402 -2.702 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.409 6.488 -2.504 1.00 0.00 H new ATOM 0 HG SER A 18 -5.681 8.725 -1.975 1.00 0.00 H new ATOM 252 N ARG A 19 -1.719 5.386 -1.790 1.00 0.00 N ATOM 253 CA ARG A 19 -0.703 4.479 -2.331 1.00 0.00 C ATOM 254 C ARG A 19 -0.441 3.297 -1.388 1.00 0.00 C ATOM 255 O ARG A 19 -0.155 2.187 -1.841 1.00 0.00 O ATOM 256 CB ARG A 19 0.576 5.284 -2.672 1.00 0.00 C ATOM 257 CG ARG A 19 1.805 5.148 -1.744 1.00 0.00 C ATOM 258 CD ARG A 19 2.715 3.976 -2.084 1.00 0.00 C ATOM 259 NE ARG A 19 4.103 4.305 -1.727 1.00 0.00 N ATOM 260 CZ ARG A 19 5.190 3.783 -2.268 1.00 0.00 C ATOM 261 NH1 ARG A 19 5.110 2.811 -3.148 1.00 0.00 N ATOM 262 NH2 ARG A 19 6.381 4.228 -1.935 1.00 0.00 N ATOM 0 H ARG A 19 -1.325 6.264 -1.452 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.070 4.033 -3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 19 0.887 5.001 -3.677 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.304 6.339 -2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.385 6.070 -1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.460 5.040 -0.716 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.393 3.085 -1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.647 3.748 -3.148 1.00 0.00 H new ATOM 0 HE ARG A 19 4.240 5.001 -0.994 1.00 0.00 H new ATOM 0 HH11 ARG A 19 4.198 2.447 -3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.960 2.420 -3.555 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.472 4.982 -1.254 1.00 0.00 H new ATOM 0 HH22 ARG A 19 7.215 3.819 -2.357 1.00 0.00 H new ATOM 276 N TYR A 20 -0.561 3.532 -0.075 1.00 0.00 N ATOM 277 CA TYR A 20 -0.295 2.546 0.967 1.00 0.00 C ATOM 278 C TYR A 20 -1.369 1.461 0.998 1.00 0.00 C ATOM 279 O TYR A 20 -1.050 0.281 0.928 1.00 0.00 O ATOM 280 CB TYR A 20 -0.209 3.241 2.328 1.00 0.00 C ATOM 281 CG TYR A 20 -0.043 2.258 3.464 1.00 0.00 C ATOM 282 CD1 TYR A 20 1.216 1.700 3.707 1.00 0.00 C ATOM 283 CD2 TYR A 20 -1.152 1.871 4.244 1.00 0.00 C ATOM 284 CE1 TYR A 20 1.386 0.786 4.761 1.00 0.00 C ATOM 285 CE2 TYR A 20 -0.985 0.939 5.290 1.00 0.00 C ATOM 286 CZ TYR A 20 0.292 0.411 5.562 1.00 0.00 C ATOM 287 OH TYR A 20 0.466 -0.415 6.626 1.00 0.00 O ATOM 0 H TYR A 20 -0.853 4.436 0.296 1.00 0.00 H new ATOM 0 HA TYR A 20 0.657 2.065 0.743 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.631 3.936 2.326 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.111 3.831 2.490 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.057 1.971 3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.128 2.287 4.041 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.363 0.369 4.957 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.835 0.631 5.881 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.396 -0.567 7.066 1.00 0.00 H new ATOM 297 N TYR A 21 -2.649 1.873 1.051 1.00 0.00 N ATOM 298 CA TYR A 21 -3.796 0.967 0.965 1.00 0.00 C ATOM 299 C TYR A 21 -3.705 0.011 -0.235 1.00 0.00 C ATOM 300 O TYR A 21 -4.030 -1.166 -0.115 1.00 0.00 O ATOM 301 CB TYR A 21 -5.082 1.799 0.873 1.00 0.00 C ATOM 302 CG TYR A 21 -5.725 2.132 2.206 1.00 0.00 C ATOM 303 CD1 TYR A 21 -6.303 1.100 2.973 1.00 0.00 C ATOM 304 CD2 TYR A 21 -5.793 3.461 2.655 1.00 0.00 C ATOM 305 CE1 TYR A 21 -6.929 1.388 4.201 1.00 0.00 C ATOM 306 CE2 TYR A 21 -6.450 3.762 3.865 1.00 0.00 C ATOM 307 CZ TYR A 21 -7.004 2.725 4.644 1.00 0.00 C ATOM 308 OH TYR A 21 -7.569 3.035 5.840 1.00 0.00 O ATOM 0 H TYR A 21 -2.912 2.853 1.156 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.801 0.348 1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.859 2.730 0.352 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.805 1.257 0.263 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -6.265 0.081 2.616 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.342 4.252 2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.348 0.592 4.799 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -6.529 4.787 4.196 1.00 0.00 H new ATOM 0 HH TYR A 21 -7.531 4.004 5.979 1.00 0.00 H new ATOM 318 N ALA A 22 -3.245 0.501 -1.389 1.00 0.00 N ATOM 319 CA ALA A 22 -3.024 -0.341 -2.559 1.00 0.00 C ATOM 320 C ALA A 22 -1.872 -1.335 -2.317 1.00 0.00 C ATOM 321 O ALA A 22 -2.000 -2.536 -2.586 1.00 0.00 O ATOM 322 CB ALA A 22 -2.771 0.558 -3.776 1.00 0.00 C ATOM 0 H ALA A 22 -3.018 1.485 -1.535 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.911 -0.945 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.604 -0.061 -4.657 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.637 1.199 -3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.892 1.176 -3.595 1.00 0.00 H new ATOM 328 N SER A 23 -0.755 -0.841 -1.759 1.00 0.00 N ATOM 329 CA SER A 23 0.396 -1.661 -1.390 1.00 0.00 C ATOM 330 C SER A 23 0.050 -2.724 -0.352 1.00 0.00 C ATOM 331 O SER A 23 0.565 -3.815 -0.480 1.00 0.00 O ATOM 332 CB SER A 23 1.561 -0.801 -0.888 1.00 0.00 C ATOM 333 OG SER A 23 2.774 -1.296 -1.430 1.00 0.00 O ATOM 0 H SER A 23 -0.631 0.150 -1.552 1.00 0.00 H new ATOM 0 HA SER A 23 0.703 -2.174 -2.301 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.415 0.238 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.601 -0.821 0.201 1.00 0.00 H new ATOM 0 HG SER A 23 3.522 -0.748 -1.113 1.00 0.00 H new ATOM 339 N LEU A 24 -0.868 -2.464 0.599 1.00 0.00 N ATOM 340 CA LEU A 24 -1.335 -3.420 1.617 1.00 0.00 C ATOM 341 C LEU A 24 -1.667 -4.782 0.987 1.00 0.00 C ATOM 342 O LEU A 24 -1.254 -5.830 1.485 1.00 0.00 O ATOM 343 CB LEU A 24 -2.508 -2.810 2.443 1.00 0.00 C ATOM 344 CG LEU A 24 -3.935 -3.373 2.197 1.00 0.00 C ATOM 345 CD1 LEU A 24 -4.136 -4.779 2.801 1.00 0.00 C ATOM 346 CD2 LEU A 24 -5.022 -2.437 2.727 1.00 0.00 C ATOM 0 H LEU A 24 -1.318 -1.553 0.681 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.528 -3.611 2.325 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.275 -2.937 3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.533 -1.738 2.249 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.029 -3.450 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.151 -5.121 2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.423 -5.472 2.354 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.976 -4.738 3.878 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.003 -2.871 2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.892 -2.299 3.800 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.947 -1.472 2.226 1.00 0.00 H new ATOM 358 N ARG A 25 -2.382 -4.764 -0.145 1.00 0.00 N ATOM 359 CA ARG A 25 -2.780 -5.971 -0.859 1.00 0.00 C ATOM 360 C ARG A 25 -1.565 -6.659 -1.460 1.00 0.00 C ATOM 361 O ARG A 25 -1.421 -7.875 -1.338 1.00 0.00 O ATOM 362 CB ARG A 25 -3.802 -5.615 -1.939 1.00 0.00 C ATOM 363 CG ARG A 25 -4.471 -6.899 -2.445 1.00 0.00 C ATOM 364 CD ARG A 25 -5.352 -6.615 -3.670 1.00 0.00 C ATOM 365 NE ARG A 25 -5.755 -7.874 -4.325 1.00 0.00 N ATOM 366 CZ ARG A 25 -5.035 -8.598 -5.174 1.00 0.00 C ATOM 367 NH1 ARG A 25 -3.830 -8.234 -5.543 1.00 0.00 N ATOM 368 NH2 ARG A 25 -5.524 -9.717 -5.654 1.00 0.00 N ATOM 0 H ARG A 25 -2.700 -3.903 -0.589 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.242 -6.667 -0.159 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.552 -4.935 -1.536 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.312 -5.097 -2.763 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.708 -7.633 -2.704 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.076 -7.335 -1.650 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.238 -6.058 -3.366 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.809 -5.989 -4.378 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.686 -8.226 -4.102 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.422 -7.374 -5.176 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.301 -8.811 -6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.454 -10.028 -5.375 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.974 -10.276 -6.306 1.00 0.00 H new ATOM 382 N HIS A 26 -0.692 -5.881 -2.105 1.00 0.00 N ATOM 383 CA HIS A 26 0.576 -6.363 -2.648 1.00 0.00 C ATOM 384 C HIS A 26 1.516 -6.889 -1.550 1.00 0.00 C ATOM 385 O HIS A 26 2.291 -7.807 -1.805 1.00 0.00 O ATOM 386 CB HIS A 26 1.213 -5.250 -3.506 1.00 0.00 C ATOM 387 CG HIS A 26 1.868 -5.791 -4.759 1.00 0.00 C ATOM 388 ND1 HIS A 26 1.314 -6.716 -5.618 1.00 0.00 N ATOM 389 CD2 HIS A 26 3.090 -5.441 -5.262 1.00 0.00 C ATOM 390 CE1 HIS A 26 2.197 -6.936 -6.600 1.00 0.00 C ATOM 391 NE2 HIS A 26 3.290 -6.178 -6.432 1.00 0.00 N ATOM 0 H HIS A 26 -0.850 -4.886 -2.266 1.00 0.00 H new ATOM 0 HA HIS A 26 0.387 -7.223 -3.290 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.447 -4.526 -3.783 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.956 -4.717 -2.912 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.776 -4.725 -4.833 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.049 -7.629 -7.415 1.00 0.00 H new ATOM 0 HE2 HIS A 26 4.108 -6.146 -7.040 1.00 0.00 H new ATOM 398 N TYR A 27 1.385 -6.373 -0.321 1.00 0.00 N ATOM 399 CA TYR A 27 2.085 -6.768 0.898 1.00 0.00 C ATOM 400 C TYR A 27 1.596 -8.128 1.409 1.00 0.00 C ATOM 401 O TYR A 27 2.379 -9.051 1.624 1.00 0.00 O ATOM 402 CB TYR A 27 1.870 -5.683 1.973 1.00 0.00 C ATOM 403 CG TYR A 27 3.099 -5.425 2.797 1.00 0.00 C ATOM 404 CD1 TYR A 27 3.450 -6.313 3.836 1.00 0.00 C ATOM 405 CD2 TYR A 27 3.916 -4.321 2.490 1.00 0.00 C ATOM 406 CE1 TYR A 27 4.632 -6.095 4.562 1.00 0.00 C ATOM 407 CE2 TYR A 27 5.105 -4.109 3.206 1.00 0.00 C ATOM 408 CZ TYR A 27 5.470 -5.009 4.234 1.00 0.00 C ATOM 409 OH TYR A 27 6.625 -4.829 4.917 1.00 0.00 O ATOM 0 H TYR A 27 0.734 -5.608 -0.145 1.00 0.00 H new ATOM 0 HA TYR A 27 3.148 -6.866 0.677 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.562 -4.756 1.490 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.055 -5.986 2.630 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.814 -7.154 4.071 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.629 -3.638 1.705 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.899 -6.759 5.371 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.737 -3.264 2.973 1.00 0.00 H new ATOM 0 HH TYR A 27 6.630 -5.406 5.709 1.00 0.00 H new ATOM 419 N LEU A 28 0.272 -8.266 1.554 1.00 0.00 N ATOM 420 CA LEU A 28 -0.382 -9.534 1.865 1.00 0.00 C ATOM 421 C LEU A 28 0.004 -10.608 0.841 1.00 0.00 C ATOM 422 O LEU A 28 0.334 -11.717 1.242 1.00 0.00 O ATOM 423 CB LEU A 28 -1.904 -9.284 1.969 1.00 0.00 C ATOM 424 CG LEU A 28 -2.803 -10.508 1.696 1.00 0.00 C ATOM 425 CD1 LEU A 28 -2.680 -11.625 2.741 1.00 0.00 C ATOM 426 CD2 LEU A 28 -4.260 -10.045 1.579 1.00 0.00 C ATOM 0 H LEU A 28 -0.380 -7.487 1.456 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.045 -9.923 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.125 -8.910 2.969 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.173 -8.495 1.267 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.459 -10.948 0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.344 -12.447 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.651 -11.984 2.770 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.957 -11.238 3.722 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.901 -10.905 1.386 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.566 -9.566 2.509 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.351 -9.334 0.758 1.00 0.00 H new ATOM 438 N ASN A 29 0.006 -10.280 -0.458 1.00 0.00 N ATOM 439 CA ASN A 29 0.438 -11.205 -1.518 1.00 0.00 C ATOM 440 C ASN A 29 1.960 -11.445 -1.568 1.00 0.00 C ATOM 441 O ASN A 29 2.409 -12.371 -2.254 1.00 0.00 O ATOM 442 CB ASN A 29 -0.077 -10.697 -2.878 1.00 0.00 C ATOM 443 CG ASN A 29 -1.262 -11.508 -3.369 1.00 0.00 C ATOM 444 OD1 ASN A 29 -1.131 -12.665 -3.749 1.00 0.00 O ATOM 445 ND2 ASN A 29 -2.447 -10.936 -3.387 1.00 0.00 N ATOM 0 H ASN A 29 -0.291 -9.368 -0.805 1.00 0.00 H new ATOM 0 HA ASN A 29 0.003 -12.176 -1.282 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.365 -9.649 -2.790 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.727 -10.746 -3.613 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.259 -11.456 -3.718 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.553 -9.972 -3.070 1.00 0.00 H new ATOM 452 N LEU A 30 2.761 -10.658 -0.844 1.00 0.00 N ATOM 453 CA LEU A 30 4.215 -10.780 -0.746 1.00 0.00 C ATOM 454 C LEU A 30 4.615 -11.753 0.374 1.00 0.00 C ATOM 455 O LEU A 30 5.574 -12.509 0.219 1.00 0.00 O ATOM 456 CB LEU A 30 4.806 -9.357 -0.620 1.00 0.00 C ATOM 457 CG LEU A 30 6.105 -9.156 0.196 1.00 0.00 C ATOM 458 CD1 LEU A 30 7.079 -8.240 -0.552 1.00 0.00 C ATOM 459 CD2 LEU A 30 5.787 -8.572 1.579 1.00 0.00 C ATOM 0 H LEU A 30 2.396 -9.886 -0.287 1.00 0.00 H new ATOM 0 HA LEU A 30 4.640 -11.228 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.990 -8.986 -1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.039 -8.719 -0.181 1.00 0.00 H new ATOM 0 HG LEU A 30 6.577 -10.130 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.985 -8.112 0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.333 -8.687 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.612 -7.269 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.713 -8.437 2.139 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.291 -7.609 1.462 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.132 -9.254 2.120 1.00 0.00 H new ATOM 471 N VAL A 31 3.853 -11.776 1.471 1.00 0.00 N ATOM 472 CA VAL A 31 4.057 -12.691 2.604 1.00 0.00 C ATOM 473 C VAL A 31 3.065 -13.861 2.606 1.00 0.00 C ATOM 474 O VAL A 31 3.294 -14.829 3.321 1.00 0.00 O ATOM 475 CB VAL A 31 4.103 -11.875 3.915 1.00 0.00 C ATOM 476 CG1 VAL A 31 3.777 -12.642 5.205 1.00 0.00 C ATOM 477 CG2 VAL A 31 5.494 -11.244 4.095 1.00 0.00 C ATOM 0 H VAL A 31 3.060 -11.148 1.602 1.00 0.00 H new ATOM 0 HA VAL A 31 5.023 -13.186 2.502 1.00 0.00 H new ATOM 0 HB VAL A 31 3.311 -11.137 3.785 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.842 -11.965 6.057 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.768 -13.049 5.141 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.490 -13.457 5.334 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.516 -10.671 5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.248 -12.030 4.136 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.705 -10.583 3.254 1.00 0.00 H new ATOM 487 N THR A 32 1.991 -13.820 1.793 1.00 0.00 N ATOM 488 CA THR A 32 0.909 -14.830 1.690 1.00 0.00 C ATOM 489 C THR A 32 0.329 -15.234 3.066 1.00 0.00 C ATOM 490 O THR A 32 -0.189 -16.328 3.277 1.00 0.00 O ATOM 491 CB THR A 32 1.327 -15.977 0.731 1.00 0.00 C ATOM 492 OG1 THR A 32 0.305 -16.930 0.512 1.00 0.00 O ATOM 493 CG2 THR A 32 2.584 -16.749 1.127 1.00 0.00 C ATOM 0 H THR A 32 1.843 -13.039 1.153 1.00 0.00 H new ATOM 0 HA THR A 32 0.037 -14.383 1.213 1.00 0.00 H new ATOM 0 HB THR A 32 1.540 -15.421 -0.182 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.224 -17.036 1.330 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.782 -17.525 0.388 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.432 -16.065 1.172 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.436 -17.208 2.104 1.00 0.00 H new ATOM 501 N ARG A 33 0.427 -14.308 4.040 1.00 0.00 N ATOM 502 CA ARG A 33 0.188 -14.559 5.473 1.00 0.00 C ATOM 503 C ARG A 33 0.168 -13.287 6.329 1.00 0.00 C ATOM 504 O ARG A 33 0.417 -13.338 7.531 1.00 0.00 O ATOM 505 CB ARG A 33 1.235 -15.595 5.978 1.00 0.00 C ATOM 506 CG ARG A 33 0.576 -16.861 6.545 1.00 0.00 C ATOM 507 CD ARG A 33 0.515 -16.855 8.077 1.00 0.00 C ATOM 508 NE ARG A 33 0.163 -18.193 8.602 1.00 0.00 N ATOM 509 CZ ARG A 33 -1.033 -18.774 8.617 1.00 0.00 C ATOM 510 NH1 ARG A 33 -2.116 -18.151 8.203 1.00 0.00 N ATOM 511 NH2 ARG A 33 -1.161 -20.006 9.048 1.00 0.00 N ATOM 0 H ARG A 33 0.681 -13.340 3.846 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.816 -14.968 5.582 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.897 -15.869 5.156 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.856 -15.136 6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -0.434 -16.952 6.145 1.00 0.00 H new ATOM 0 HG3 ARG A 33 1.131 -17.737 6.210 1.00 0.00 H new ATOM 0 HD2 ARG A 33 1.479 -16.544 8.481 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.221 -16.124 8.412 1.00 0.00 H new ATOM 0 HE ARG A 33 0.930 -18.735 9.000 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.053 -17.193 7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.018 -18.626 8.228 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.342 -20.520 9.373 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.079 -20.450 9.059 1.00 0.00 H new ATOM 525 N GLN A 34 -0.138 -12.135 5.713 1.00 0.00 N ATOM 526 CA GLN A 34 -0.142 -10.830 6.368 1.00 0.00 C ATOM 527 C GLN A 34 -1.543 -10.232 6.317 1.00 0.00 C ATOM 528 O GLN A 34 -2.026 -9.859 5.254 1.00 0.00 O ATOM 529 CB GLN A 34 0.920 -9.906 5.744 1.00 0.00 C ATOM 530 CG GLN A 34 1.628 -9.057 6.811 1.00 0.00 C ATOM 531 CD GLN A 34 0.726 -7.966 7.381 1.00 0.00 C ATOM 532 OE1 GLN A 34 0.415 -6.987 6.727 1.00 0.00 O ATOM 533 NE2 GLN A 34 0.269 -8.106 8.610 1.00 0.00 N ATOM 0 H GLN A 34 -0.394 -12.090 4.727 1.00 0.00 H new ATOM 0 HA GLN A 34 0.126 -10.947 7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.656 -10.506 5.208 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.448 -9.251 5.011 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.966 -9.704 7.620 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.517 -8.599 6.376 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.528 -8.925 9.160 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.343 -7.395 9.010 1.00 0.00 H new ATOM 542 N ARG A 35 -2.214 -10.182 7.470 1.00 0.00 N ATOM 543 CA ARG A 35 -3.525 -9.554 7.629 1.00 0.00 C ATOM 544 C ARG A 35 -3.629 -9.042 9.060 1.00 0.00 C ATOM 545 O ARG A 35 -3.128 -9.669 9.992 1.00 0.00 O ATOM 546 CB ARG A 35 -4.612 -10.592 7.301 1.00 0.00 C ATOM 547 CG ARG A 35 -5.991 -9.961 7.124 1.00 0.00 C ATOM 548 CD ARG A 35 -7.084 -11.028 7.229 1.00 0.00 C ATOM 549 NE ARG A 35 -8.375 -10.521 6.718 1.00 0.00 N ATOM 550 CZ ARG A 35 -9.586 -10.970 7.024 1.00 0.00 C ATOM 551 NH1 ARG A 35 -9.763 -11.947 7.878 1.00 0.00 N ATOM 552 NH2 ARG A 35 -10.649 -10.443 6.464 1.00 0.00 N ATOM 0 H ARG A 35 -1.853 -10.585 8.335 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.659 -8.711 6.951 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -4.339 -11.122 6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -4.655 -11.333 8.100 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.148 -9.195 7.884 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.050 -9.466 6.155 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.788 -11.912 6.665 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.197 -11.336 8.268 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.331 -9.743 6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.958 -12.384 8.327 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.706 -12.271 8.094 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.547 -9.684 5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.577 -10.792 6.703 1.00 0.00 H new ATOM 566 N TYR A 36 -4.278 -7.888 9.208 1.00 0.00 N ATOM 567 CA TYR A 36 -4.610 -7.280 10.490 1.00 0.00 C ATOM 568 C TYR A 36 -5.364 -8.260 11.405 1.00 0.00 C ATOM 569 O TYR A 36 -6.324 -8.909 11.006 1.00 0.00 O ATOM 570 CB TYR A 36 -5.432 -6.023 10.213 1.00 0.00 C ATOM 571 CG TYR A 36 -5.628 -5.144 11.432 1.00 0.00 C ATOM 572 CD1 TYR A 36 -4.588 -4.288 11.841 1.00 0.00 C ATOM 573 CD2 TYR A 36 -6.830 -5.194 12.155 1.00 0.00 C ATOM 574 CE1 TYR A 36 -4.757 -3.460 12.961 1.00 0.00 C ATOM 575 CE2 TYR A 36 -7.010 -4.362 13.275 1.00 0.00 C ATOM 576 CZ TYR A 36 -5.977 -3.484 13.673 1.00 0.00 C ATOM 577 OH TYR A 36 -6.151 -2.656 14.738 1.00 0.00 O ATOM 0 H TYR A 36 -4.596 -7.335 8.412 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.696 -7.016 11.022 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -4.940 -5.442 9.432 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -6.408 -6.316 9.826 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.658 -4.269 11.292 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.616 -5.870 11.852 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.957 -2.807 13.278 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.936 -4.394 13.830 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.044 -2.794 15.117 1.00 0.00 H new HETATM 587 N NH2 A 37 -4.957 -8.384 12.656 1.00 0.00 N TER 590 NH2 A 37