USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 288 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 TYR N :NH3+ -132:sc= 0.818 (180deg=-0.00916) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.145 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 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.094 X(o=-0.094,f=-0.3) USER MOD Single : A 27 TYR OH : rot 61:sc= 1.11 USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 7.873 3.238 16.752 1.00 0.00 N ATOM 2 CA TYR A 1 7.800 1.768 16.561 1.00 0.00 C ATOM 3 C TYR A 1 8.173 1.444 15.113 1.00 0.00 C ATOM 4 O TYR A 1 8.035 2.337 14.281 1.00 0.00 O ATOM 5 CB TYR A 1 6.405 1.235 16.928 1.00 0.00 C ATOM 6 CG TYR A 1 5.251 1.798 16.118 1.00 0.00 C ATOM 7 CD1 TYR A 1 4.721 3.067 16.417 1.00 0.00 C ATOM 8 CD2 TYR A 1 4.697 1.040 15.067 1.00 0.00 C ATOM 9 CE1 TYR A 1 3.674 3.602 15.636 1.00 0.00 C ATOM 10 CE2 TYR A 1 3.651 1.564 14.287 1.00 0.00 C ATOM 11 CZ TYR A 1 3.143 2.848 14.566 1.00 0.00 C ATOM 12 OH TYR A 1 2.101 3.328 13.839 1.00 0.00 O ATOM 0 H1 TYR A 1 8.410 3.449 17.617 1.00 0.00 H new ATOM 0 H2 TYR A 1 8.348 3.671 15.935 1.00 0.00 H new ATOM 0 H3 TYR A 1 6.912 3.625 16.838 1.00 0.00 H new ATOM 0 HA TYR A 1 8.506 1.271 17.227 1.00 0.00 H new ATOM 0 HB2 TYR A 1 6.409 0.151 16.815 1.00 0.00 H new ATOM 0 HB3 TYR A 1 6.222 1.445 17.982 1.00 0.00 H new ATOM 0 HD1 TYR A 1 5.117 3.633 17.247 1.00 0.00 H new ATOM 0 HD2 TYR A 1 5.078 0.051 14.859 1.00 0.00 H new ATOM 0 HE1 TYR A 1 3.281 4.584 15.856 1.00 0.00 H new ATOM 0 HE2 TYR A 1 3.238 0.983 13.476 1.00 0.00 H new ATOM 0 HH TYR A 1 1.863 2.682 13.142 1.00 0.00 H new ATOM 24 N PRO A 2 8.680 0.245 14.804 1.00 0.00 N ATOM 25 CA PRO A 2 8.959 -0.151 13.428 1.00 0.00 C ATOM 26 C PRO A 2 7.667 -0.450 12.663 1.00 0.00 C ATOM 27 O PRO A 2 6.644 -0.806 13.250 1.00 0.00 O ATOM 28 CB PRO A 2 9.839 -1.403 13.524 1.00 0.00 C ATOM 29 CG PRO A 2 9.555 -1.985 14.909 1.00 0.00 C ATOM 30 CD PRO A 2 8.928 -0.858 15.725 1.00 0.00 C ATOM 0 HA PRO A 2 9.458 0.649 12.881 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.594 -2.118 12.738 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.894 -1.153 13.410 1.00 0.00 H new ATOM 0 HG2 PRO A 2 8.880 -2.838 14.842 1.00 0.00 H new ATOM 0 HG3 PRO A 2 10.473 -2.340 15.377 1.00 0.00 H new ATOM 0 HD2 PRO A 2 7.999 -1.189 16.190 1.00 0.00 H new ATOM 0 HD3 PRO A 2 9.594 -0.547 16.529 1.00 0.00 H new ATOM 38 N ALA A 3 7.752 -0.404 11.343 1.00 0.00 N ATOM 39 CA ALA A 3 6.675 -0.732 10.426 1.00 0.00 C ATOM 40 C ALA A 3 7.282 -1.571 9.296 1.00 0.00 C ATOM 41 O ALA A 3 8.092 -1.067 8.521 1.00 0.00 O ATOM 42 CB ALA A 3 6.012 0.563 9.941 1.00 0.00 C ATOM 0 H ALA A 3 8.608 -0.126 10.863 1.00 0.00 H new ATOM 0 HA ALA A 3 5.886 -1.317 10.898 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.203 0.321 9.252 1.00 0.00 H new ATOM 0 HB2 ALA A 3 5.611 1.108 10.795 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.751 1.181 9.430 1.00 0.00 H new ATOM 48 N LYS A 4 6.941 -2.859 9.245 1.00 0.00 N ATOM 49 CA LYS A 4 7.234 -3.734 8.100 1.00 0.00 C ATOM 50 C LYS A 4 6.787 -3.109 6.771 1.00 0.00 C ATOM 51 O LYS A 4 7.609 -3.021 5.851 1.00 0.00 O ATOM 52 CB LYS A 4 6.608 -5.134 8.313 1.00 0.00 C ATOM 53 CG LYS A 4 7.573 -6.121 9.001 1.00 0.00 C ATOM 54 CD LYS A 4 6.942 -6.900 10.171 1.00 0.00 C ATOM 55 CE LYS A 4 6.603 -8.359 9.831 1.00 0.00 C ATOM 56 NZ LYS A 4 7.822 -9.200 9.770 1.00 0.00 N ATOM 0 H LYS A 4 6.449 -3.333 10.003 1.00 0.00 H new ATOM 0 HA LYS A 4 8.316 -3.852 8.039 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.705 -5.036 8.916 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.305 -5.542 7.349 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.939 -6.832 8.260 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.439 -5.570 9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.628 -6.884 11.018 1.00 0.00 H new ATOM 0 HD3 LYS A 4 6.032 -6.389 10.487 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.921 -8.759 10.581 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.084 -8.399 8.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.557 -10.179 9.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.462 -8.832 9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.304 -9.181 10.692 1.00 0.00 H new ATOM 70 N PRO A 5 5.511 -2.693 6.608 1.00 0.00 N ATOM 71 CA PRO A 5 5.094 -2.009 5.407 1.00 0.00 C ATOM 72 C PRO A 5 5.656 -0.584 5.349 1.00 0.00 C ATOM 73 O PRO A 5 6.112 -0.040 6.351 1.00 0.00 O ATOM 74 CB PRO A 5 3.569 -2.053 5.404 1.00 0.00 C ATOM 75 CG PRO A 5 3.176 -2.203 6.872 1.00 0.00 C ATOM 76 CD PRO A 5 4.412 -2.764 7.566 1.00 0.00 C ATOM 0 HA PRO A 5 5.483 -2.492 4.511 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.149 -1.144 4.974 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.199 -2.888 4.809 1.00 0.00 H new ATOM 0 HG2 PRO A 5 2.886 -1.244 7.301 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.324 -2.873 6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 5 4.645 -2.189 8.462 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.242 -3.793 7.882 1.00 0.00 H new ATOM 84 N GLU A 6 5.615 -0.005 4.152 1.00 0.00 N ATOM 85 CA GLU A 6 6.136 1.337 3.905 1.00 0.00 C ATOM 86 C GLU A 6 5.498 2.369 4.839 1.00 0.00 C ATOM 87 O GLU A 6 4.325 2.258 5.203 1.00 0.00 O ATOM 88 CB GLU A 6 5.912 1.723 2.432 1.00 0.00 C ATOM 89 CG GLU A 6 6.923 2.782 1.958 1.00 0.00 C ATOM 90 CD GLU A 6 7.197 2.740 0.443 1.00 0.00 C ATOM 91 OE1 GLU A 6 7.287 1.612 -0.103 1.00 0.00 O ATOM 92 OE2 GLU A 6 7.306 3.846 -0.150 1.00 0.00 O ATOM 0 H GLU A 6 5.220 -0.453 3.325 1.00 0.00 H new ATOM 0 HA GLU A 6 7.206 1.330 4.112 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.997 0.834 1.807 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.899 2.106 2.307 1.00 0.00 H new ATOM 0 HG2 GLU A 6 6.551 3.772 2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.862 2.640 2.492 1.00 0.00 H new ATOM 99 N ALA A 7 6.272 3.396 5.188 1.00 0.00 N ATOM 100 CA ALA A 7 5.877 4.403 6.151 1.00 0.00 C ATOM 101 C ALA A 7 6.322 5.773 5.611 1.00 0.00 C ATOM 102 O ALA A 7 7.511 5.952 5.340 1.00 0.00 O ATOM 103 CB ALA A 7 6.480 4.084 7.518 1.00 0.00 C ATOM 0 H ALA A 7 7.203 3.547 4.800 1.00 0.00 H new ATOM 0 HA ALA A 7 4.796 4.418 6.288 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.178 4.846 8.236 1.00 0.00 H new ATOM 0 HB2 ALA A 7 6.126 3.109 7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.567 4.068 7.441 1.00 0.00 H new ATOM 109 N PRO A 8 5.385 6.698 5.356 1.00 0.00 N ATOM 110 CA PRO A 8 5.739 8.044 4.961 1.00 0.00 C ATOM 111 C PRO A 8 6.425 8.815 6.094 1.00 0.00 C ATOM 112 O PRO A 8 6.296 8.478 7.268 1.00 0.00 O ATOM 113 CB PRO A 8 4.430 8.683 4.511 1.00 0.00 C ATOM 114 CG PRO A 8 3.305 7.849 5.139 1.00 0.00 C ATOM 115 CD PRO A 8 3.951 6.541 5.560 1.00 0.00 C ATOM 0 HA PRO A 8 6.474 8.053 4.157 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.372 9.722 4.837 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.352 8.685 3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.867 8.363 5.995 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.500 7.676 4.425 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.731 6.319 6.604 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.565 5.711 4.969 1.00 0.00 H new ATOM 123 N GLY A 9 7.163 9.871 5.722 1.00 0.00 N ATOM 124 CA GLY A 9 7.813 10.773 6.665 1.00 0.00 C ATOM 125 C GLY A 9 6.819 11.763 7.280 1.00 0.00 C ATOM 126 O GLY A 9 5.615 11.511 7.357 1.00 0.00 O ATOM 0 H GLY A 9 7.323 10.120 4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 9 8.285 10.192 7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 9 8.605 11.322 6.156 1.00 0.00 H new ATOM 130 N GLU A 10 7.320 12.913 7.726 1.00 0.00 N ATOM 131 CA GLU A 10 6.521 13.996 8.319 1.00 0.00 C ATOM 132 C GLU A 10 5.614 14.746 7.303 1.00 0.00 C ATOM 133 O GLU A 10 5.219 15.890 7.512 1.00 0.00 O ATOM 134 CB GLU A 10 7.458 14.914 9.141 1.00 0.00 C ATOM 135 CG GLU A 10 6.986 15.036 10.600 1.00 0.00 C ATOM 136 CD GLU A 10 8.152 15.221 11.583 1.00 0.00 C ATOM 137 OE1 GLU A 10 8.563 16.383 11.808 1.00 0.00 O ATOM 138 OE2 GLU A 10 8.600 14.174 12.120 1.00 0.00 O ATOM 0 H GLU A 10 8.316 13.128 7.686 1.00 0.00 H new ATOM 0 HA GLU A 10 5.790 13.558 8.999 1.00 0.00 H new ATOM 0 HB2 GLU A 10 8.472 14.516 9.117 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.493 15.903 8.684 1.00 0.00 H new ATOM 0 HG2 GLU A 10 6.303 15.881 10.688 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.424 14.143 10.872 1.00 0.00 H new ATOM 145 N ASP A 11 5.254 14.064 6.213 1.00 0.00 N ATOM 146 CA ASP A 11 4.516 14.529 5.049 1.00 0.00 C ATOM 147 C ASP A 11 3.442 13.536 4.582 1.00 0.00 C ATOM 148 O ASP A 11 3.019 13.611 3.435 1.00 0.00 O ATOM 149 CB ASP A 11 5.500 14.942 3.929 1.00 0.00 C ATOM 150 CG ASP A 11 6.359 13.819 3.309 1.00 0.00 C ATOM 151 OD1 ASP A 11 6.929 13.011 4.079 1.00 0.00 O ATOM 152 OD2 ASP A 11 6.576 13.879 2.072 1.00 0.00 O ATOM 0 H ASP A 11 5.498 13.078 6.120 1.00 0.00 H new ATOM 0 HA ASP A 11 3.953 15.416 5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.927 15.412 3.130 1.00 0.00 H new ATOM 0 HB3 ASP A 11 6.171 15.702 4.330 1.00 0.00 H new ATOM 157 N ALA A 12 2.962 12.650 5.482 1.00 0.00 N ATOM 158 CA ALA A 12 1.901 11.661 5.254 1.00 0.00 C ATOM 159 C ALA A 12 0.554 12.310 4.892 1.00 0.00 C ATOM 160 O ALA A 12 -0.384 12.376 5.688 1.00 0.00 O ATOM 161 CB ALA A 12 1.783 10.746 6.477 1.00 0.00 C ATOM 0 H ALA A 12 3.327 12.608 6.434 1.00 0.00 H new ATOM 0 HA ALA A 12 2.178 11.060 4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.995 10.012 6.308 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.730 10.231 6.639 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.540 11.343 7.356 1.00 0.00 H new ATOM 167 N SER A 13 0.484 12.861 3.680 1.00 0.00 N ATOM 168 CA SER A 13 -0.662 13.565 3.132 1.00 0.00 C ATOM 169 C SER A 13 -1.855 12.617 2.911 1.00 0.00 C ATOM 170 O SER A 13 -1.702 11.390 2.988 1.00 0.00 O ATOM 171 CB SER A 13 -0.219 14.282 1.839 1.00 0.00 C ATOM 172 OG SER A 13 -0.521 13.498 0.697 1.00 0.00 O ATOM 0 H SER A 13 1.266 12.823 3.027 1.00 0.00 H new ATOM 0 HA SER A 13 -1.016 14.312 3.842 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.719 15.248 1.765 1.00 0.00 H new ATOM 0 HB3 SER A 13 0.852 14.479 1.877 1.00 0.00 H new ATOM 0 HG SER A 13 -0.233 13.972 -0.111 1.00 0.00 H new ATOM 178 N PRO A 14 -3.055 13.132 2.581 1.00 0.00 N ATOM 179 CA PRO A 14 -4.194 12.273 2.279 1.00 0.00 C ATOM 180 C PRO A 14 -4.009 11.484 0.972 1.00 0.00 C ATOM 181 O PRO A 14 -4.717 10.506 0.748 1.00 0.00 O ATOM 182 CB PRO A 14 -5.407 13.202 2.231 1.00 0.00 C ATOM 183 CG PRO A 14 -4.839 14.586 1.918 1.00 0.00 C ATOM 184 CD PRO A 14 -3.364 14.526 2.306 1.00 0.00 C ATOM 0 HA PRO A 14 -4.316 11.502 3.040 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.116 12.885 1.466 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.942 13.201 3.181 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.956 14.827 0.862 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.361 15.360 2.481 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.737 14.909 1.501 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -3.170 15.145 3.182 1.00 0.00 H new ATOM 192 N GLU A 15 -3.053 11.877 0.118 1.00 0.00 N ATOM 193 CA GLU A 15 -2.683 11.098 -1.062 1.00 0.00 C ATOM 194 C GLU A 15 -1.889 9.838 -0.666 1.00 0.00 C ATOM 195 O GLU A 15 -2.103 8.767 -1.235 1.00 0.00 O ATOM 196 CB GLU A 15 -1.912 11.994 -2.044 1.00 0.00 C ATOM 197 CG GLU A 15 -1.933 11.439 -3.480 1.00 0.00 C ATOM 198 CD GLU A 15 -0.539 11.143 -4.040 1.00 0.00 C ATOM 199 OE1 GLU A 15 0.217 10.416 -3.352 1.00 0.00 O ATOM 200 OE2 GLU A 15 -0.267 11.620 -5.162 1.00 0.00 O ATOM 0 H GLU A 15 -2.520 12.740 0.229 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.584 10.746 -1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.345 12.994 -2.037 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.879 12.092 -1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.525 10.524 -3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.433 12.156 -4.131 1.00 0.00 H new ATOM 207 N GLU A 16 -1.065 9.922 0.390 1.00 0.00 N ATOM 208 CA GLU A 16 -0.223 8.819 0.832 1.00 0.00 C ATOM 209 C GLU A 16 -1.033 7.629 1.368 1.00 0.00 C ATOM 210 O GLU A 16 -0.625 6.479 1.229 1.00 0.00 O ATOM 211 CB GLU A 16 0.777 9.297 1.899 1.00 0.00 C ATOM 212 CG GLU A 16 2.227 9.004 1.490 1.00 0.00 C ATOM 213 CD GLU A 16 3.034 10.300 1.411 1.00 0.00 C ATOM 214 OE1 GLU A 16 3.578 10.694 2.462 1.00 0.00 O ATOM 215 OE2 GLU A 16 3.068 10.886 0.313 1.00 0.00 O ATOM 0 H GLU A 16 -0.970 10.764 0.958 1.00 0.00 H new ATOM 0 HA GLU A 16 0.319 8.470 -0.047 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.654 10.368 2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.560 8.805 2.847 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.685 8.327 2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.244 8.499 0.524 1.00 0.00 H new ATOM 222 N LEU A 17 -2.230 7.868 1.903 1.00 0.00 N ATOM 223 CA LEU A 17 -3.168 6.795 2.245 1.00 0.00 C ATOM 224 C LEU A 17 -3.466 5.882 1.044 1.00 0.00 C ATOM 225 O LEU A 17 -3.493 4.655 1.191 1.00 0.00 O ATOM 226 CB LEU A 17 -4.447 7.443 2.796 1.00 0.00 C ATOM 227 CG LEU A 17 -4.476 7.458 4.334 1.00 0.00 C ATOM 228 CD1 LEU A 17 -5.335 8.626 4.817 1.00 0.00 C ATOM 229 CD2 LEU A 17 -5.008 6.115 4.867 1.00 0.00 C ATOM 0 H LEU A 17 -2.577 8.804 2.111 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.722 6.149 3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.524 8.464 2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.316 6.901 2.423 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.465 7.592 4.718 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.355 8.636 5.907 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.913 9.563 4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.350 8.513 4.436 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.024 6.137 5.957 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.018 5.949 4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.359 5.307 4.530 1.00 0.00 H new ATOM 241 N SER A 18 -3.607 6.469 -0.152 1.00 0.00 N ATOM 242 CA SER A 18 -3.799 5.724 -1.401 1.00 0.00 C ATOM 243 C SER A 18 -2.538 4.955 -1.815 1.00 0.00 C ATOM 244 O SER A 18 -2.647 3.934 -2.488 1.00 0.00 O ATOM 245 CB SER A 18 -4.225 6.652 -2.547 1.00 0.00 C ATOM 246 OG SER A 18 -5.384 7.385 -2.208 1.00 0.00 O ATOM 0 H SER A 18 -3.591 7.481 -0.280 1.00 0.00 H new ATOM 0 HA SER A 18 -4.594 5.004 -1.207 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.413 7.340 -2.782 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.414 6.063 -3.444 1.00 0.00 H new ATOM 0 HG SER A 18 -5.632 7.969 -2.955 1.00 0.00 H new ATOM 252 N ARG A 19 -1.347 5.397 -1.376 1.00 0.00 N ATOM 253 CA ARG A 19 -0.094 4.650 -1.530 1.00 0.00 C ATOM 254 C ARG A 19 -0.107 3.394 -0.657 1.00 0.00 C ATOM 255 O ARG A 19 0.415 2.353 -1.059 1.00 0.00 O ATOM 256 CB ARG A 19 1.118 5.575 -1.256 1.00 0.00 C ATOM 257 CG ARG A 19 1.874 5.398 0.078 1.00 0.00 C ATOM 258 CD ARG A 19 3.046 4.414 0.012 1.00 0.00 C ATOM 259 NE ARG A 19 4.330 5.134 0.041 1.00 0.00 N ATOM 260 CZ ARG A 19 4.913 5.673 1.105 1.00 0.00 C ATOM 261 NH1 ARG A 19 4.405 5.563 2.314 1.00 0.00 N ATOM 262 NH2 ARG A 19 6.034 6.335 0.961 1.00 0.00 N ATOM 0 H ARG A 19 -1.230 6.292 -0.900 1.00 0.00 H new ATOM 0 HA ARG A 19 0.003 4.306 -2.560 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.834 5.438 -2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 19 0.770 6.607 -1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.248 6.369 0.402 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.171 5.057 0.838 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.993 3.720 0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.977 3.819 -0.899 1.00 0.00 H new ATOM 0 HE ARG A 19 4.822 5.228 -0.847 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.535 5.050 2.457 1.00 0.00 H new ATOM 0 HH12 ARG A 19 4.881 5.991 3.108 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.453 6.434 0.036 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.488 6.752 1.774 1.00 0.00 H new ATOM 276 N TYR A 20 -0.700 3.481 0.542 1.00 0.00 N ATOM 277 CA TYR A 20 -0.644 2.456 1.573 1.00 0.00 C ATOM 278 C TYR A 20 -1.631 1.340 1.286 1.00 0.00 C ATOM 279 O TYR A 20 -1.225 0.180 1.234 1.00 0.00 O ATOM 280 CB TYR A 20 -0.923 3.075 2.945 1.00 0.00 C ATOM 281 CG TYR A 20 -0.713 2.108 4.091 1.00 0.00 C ATOM 282 CD1 TYR A 20 0.585 1.631 4.375 1.00 0.00 C ATOM 283 CD2 TYR A 20 -1.800 1.691 4.891 1.00 0.00 C ATOM 284 CE1 TYR A 20 0.803 0.786 5.473 1.00 0.00 C ATOM 285 CE2 TYR A 20 -1.583 0.847 5.993 1.00 0.00 C ATOM 286 CZ TYR A 20 -0.281 0.396 6.290 1.00 0.00 C ATOM 287 OH TYR A 20 -0.070 -0.386 7.387 1.00 0.00 O ATOM 0 H TYR A 20 -1.247 4.295 0.822 1.00 0.00 H new ATOM 0 HA TYR A 20 0.358 2.027 1.575 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.274 3.940 3.085 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.950 3.440 2.970 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.413 1.918 3.744 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.801 2.022 4.655 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.800 0.434 5.694 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.414 0.544 6.613 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.924 -0.558 7.835 1.00 0.00 H new ATOM 297 N TYR A 21 -2.905 1.675 1.051 1.00 0.00 N ATOM 298 CA TYR A 21 -3.950 0.721 0.658 1.00 0.00 C ATOM 299 C TYR A 21 -3.529 -0.139 -0.544 1.00 0.00 C ATOM 300 O TYR A 21 -3.725 -1.360 -0.539 1.00 0.00 O ATOM 301 CB TYR A 21 -5.231 1.508 0.347 1.00 0.00 C ATOM 302 CG TYR A 21 -6.221 1.597 1.495 1.00 0.00 C ATOM 303 CD1 TYR A 21 -5.839 2.135 2.743 1.00 0.00 C ATOM 304 CD2 TYR A 21 -7.541 1.146 1.300 1.00 0.00 C ATOM 305 CE1 TYR A 21 -6.769 2.192 3.802 1.00 0.00 C ATOM 306 CE2 TYR A 21 -8.478 1.229 2.345 1.00 0.00 C ATOM 307 CZ TYR A 21 -8.094 1.748 3.599 1.00 0.00 C ATOM 308 OH TYR A 21 -9.001 1.810 4.612 1.00 0.00 O ATOM 0 H TYR A 21 -3.245 2.633 1.130 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.124 0.029 1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.955 2.518 0.045 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.727 1.045 -0.506 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.834 2.503 2.887 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.834 0.735 0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.468 2.574 4.766 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.493 0.895 2.187 1.00 0.00 H new ATOM 0 HH TYR A 21 -9.864 1.465 4.300 1.00 0.00 H new ATOM 318 N ALA A 22 -2.907 0.475 -1.553 1.00 0.00 N ATOM 319 CA ALA A 22 -2.384 -0.230 -2.717 1.00 0.00 C ATOM 320 C ALA A 22 -1.213 -1.153 -2.333 1.00 0.00 C ATOM 321 O ALA A 22 -1.188 -2.323 -2.726 1.00 0.00 O ATOM 322 CB ALA A 22 -1.983 0.806 -3.781 1.00 0.00 C ATOM 0 H ALA A 22 -2.753 1.483 -1.582 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.155 -0.879 -3.132 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.590 0.293 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.857 1.393 -4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.218 1.468 -3.374 1.00 0.00 H new ATOM 328 N SER A 23 -0.272 -0.644 -1.522 1.00 0.00 N ATOM 329 CA SER A 23 0.850 -1.425 -1.009 1.00 0.00 C ATOM 330 C SER A 23 0.388 -2.587 -0.137 1.00 0.00 C ATOM 331 O SER A 23 0.943 -3.667 -0.272 1.00 0.00 O ATOM 332 CB SER A 23 1.835 -0.559 -0.216 1.00 0.00 C ATOM 333 OG SER A 23 3.156 -0.937 -0.531 1.00 0.00 O ATOM 0 H SER A 23 -0.274 0.326 -1.206 1.00 0.00 H new ATOM 0 HA SER A 23 1.359 -1.826 -1.885 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.681 0.494 -0.452 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.658 -0.675 0.853 1.00 0.00 H new ATOM 0 HG SER A 23 3.785 -0.381 -0.025 1.00 0.00 H new ATOM 339 N LEU A 24 -0.640 -2.410 0.706 1.00 0.00 N ATOM 340 CA LEU A 24 -1.236 -3.413 1.587 1.00 0.00 C ATOM 341 C LEU A 24 -1.685 -4.653 0.811 1.00 0.00 C ATOM 342 O LEU A 24 -1.331 -5.768 1.171 1.00 0.00 O ATOM 343 CB LEU A 24 -2.438 -2.832 2.354 1.00 0.00 C ATOM 344 CG LEU A 24 -2.108 -2.155 3.694 1.00 0.00 C ATOM 345 CD1 LEU A 24 -3.418 -1.638 4.297 1.00 0.00 C ATOM 346 CD2 LEU A 24 -1.450 -3.149 4.673 1.00 0.00 C ATOM 0 H LEU A 24 -1.103 -1.505 0.793 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.463 -3.707 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.937 -2.105 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.150 -3.636 2.540 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.406 -1.339 3.523 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.213 -1.152 5.251 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.874 -0.921 3.615 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.100 -2.473 4.455 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.228 -2.642 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.131 -3.979 4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.525 -3.529 4.239 1.00 0.00 H new ATOM 358 N ARG A 25 -2.439 -4.459 -0.279 1.00 0.00 N ATOM 359 CA ARG A 25 -2.840 -5.562 -1.151 1.00 0.00 C ATOM 360 C ARG A 25 -1.636 -6.253 -1.782 1.00 0.00 C ATOM 361 O ARG A 25 -1.613 -7.481 -1.873 1.00 0.00 O ATOM 362 CB ARG A 25 -3.805 -5.049 -2.224 1.00 0.00 C ATOM 363 CG ARG A 25 -4.535 -6.230 -2.878 1.00 0.00 C ATOM 364 CD ARG A 25 -5.817 -5.750 -3.558 1.00 0.00 C ATOM 365 NE ARG A 25 -6.491 -6.845 -4.273 1.00 0.00 N ATOM 366 CZ ARG A 25 -6.259 -7.266 -5.512 1.00 0.00 C ATOM 367 NH1 ARG A 25 -5.334 -6.717 -6.259 1.00 0.00 N ATOM 368 NH2 ARG A 25 -6.957 -8.245 -6.025 1.00 0.00 N ATOM 0 H ARG A 25 -2.782 -3.545 -0.575 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.349 -6.309 -0.543 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.528 -4.365 -1.779 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.257 -4.486 -2.979 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.884 -6.708 -3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.774 -6.981 -2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.492 -5.332 -2.811 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.581 -4.948 -4.258 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.221 -7.338 -3.758 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.772 -5.948 -5.893 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.175 -7.058 -7.207 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.688 -8.694 -5.473 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.770 -8.560 -6.977 1.00 0.00 H new ATOM 382 N HIS A 26 -0.619 -5.497 -2.179 1.00 0.00 N ATOM 383 CA HIS A 26 0.644 -6.069 -2.641 1.00 0.00 C ATOM 384 C HIS A 26 1.388 -6.807 -1.521 1.00 0.00 C ATOM 385 O HIS A 26 1.973 -7.855 -1.774 1.00 0.00 O ATOM 386 CB HIS A 26 1.488 -4.971 -3.310 1.00 0.00 C ATOM 387 CG HIS A 26 2.151 -5.445 -4.582 1.00 0.00 C ATOM 388 ND1 HIS A 26 1.521 -6.094 -5.621 1.00 0.00 N ATOM 389 CD2 HIS A 26 3.465 -5.291 -4.928 1.00 0.00 C ATOM 390 CE1 HIS A 26 2.445 -6.343 -6.566 1.00 0.00 C ATOM 391 NE2 HIS A 26 3.645 -5.879 -6.184 1.00 0.00 N ATOM 0 H HIS A 26 -0.644 -4.477 -2.191 1.00 0.00 H new ATOM 0 HA HIS A 26 0.436 -6.833 -3.390 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.852 -4.114 -3.533 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.252 -4.628 -2.612 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.227 -4.803 -4.338 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.249 -6.846 -7.501 1.00 0.00 H new ATOM 0 HE2 HIS A 26 4.518 -5.943 -6.708 1.00 0.00 H new ATOM 398 N TYR A 27 1.285 -6.326 -0.275 1.00 0.00 N ATOM 399 CA TYR A 27 1.827 -6.886 0.963 1.00 0.00 C ATOM 400 C TYR A 27 1.173 -8.215 1.342 1.00 0.00 C ATOM 401 O TYR A 27 1.867 -9.142 1.783 1.00 0.00 O ATOM 402 CB TYR A 27 1.675 -5.876 2.117 1.00 0.00 C ATOM 403 CG TYR A 27 2.999 -5.512 2.739 1.00 0.00 C ATOM 404 CD1 TYR A 27 3.744 -4.432 2.228 1.00 0.00 C ATOM 405 CD2 TYR A 27 3.519 -6.321 3.767 1.00 0.00 C ATOM 406 CE1 TYR A 27 5.047 -4.196 2.706 1.00 0.00 C ATOM 407 CE2 TYR A 27 4.818 -6.084 4.248 1.00 0.00 C ATOM 408 CZ TYR A 27 5.597 -5.051 3.696 1.00 0.00 C ATOM 409 OH TYR A 27 6.890 -4.910 4.093 1.00 0.00 O ATOM 0 H TYR A 27 0.776 -5.461 -0.096 1.00 0.00 H new ATOM 0 HA TYR A 27 2.884 -7.085 0.786 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.191 -4.973 1.745 1.00 0.00 H new ATOM 0 HB3 TYR A 27 1.021 -6.297 2.881 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.318 -3.788 1.473 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.923 -7.119 4.184 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.625 -3.369 2.321 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.219 -6.696 5.043 1.00 0.00 H new ATOM 0 HH TYR A 27 7.019 -4.018 4.477 1.00 0.00 H new ATOM 419 N LEU A 28 -0.142 -8.342 1.131 1.00 0.00 N ATOM 420 CA LEU A 28 -0.912 -9.571 1.298 1.00 0.00 C ATOM 421 C LEU A 28 -0.296 -10.699 0.454 1.00 0.00 C ATOM 422 O LEU A 28 -0.015 -11.778 0.976 1.00 0.00 O ATOM 423 CB LEU A 28 -2.397 -9.271 0.985 1.00 0.00 C ATOM 424 CG LEU A 28 -3.249 -10.465 0.507 1.00 0.00 C ATOM 425 CD1 LEU A 28 -3.514 -11.488 1.622 1.00 0.00 C ATOM 426 CD2 LEU A 28 -4.566 -9.956 -0.093 1.00 0.00 C ATOM 0 H LEU A 28 -0.718 -7.557 0.827 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.874 -9.930 2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.859 -8.858 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.436 -8.495 0.220 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.679 -10.989 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.118 -12.306 1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.566 -11.880 1.989 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.047 -11.004 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.164 -10.803 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.119 -9.399 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.352 -9.304 -0.940 1.00 0.00 H new ATOM 438 N ASN A 29 -0.018 -10.431 -0.829 1.00 0.00 N ATOM 439 CA ASN A 29 0.613 -11.408 -1.727 1.00 0.00 C ATOM 440 C ASN A 29 2.144 -11.507 -1.538 1.00 0.00 C ATOM 441 O ASN A 29 2.801 -12.264 -2.248 1.00 0.00 O ATOM 442 CB ASN A 29 0.260 -11.085 -3.188 1.00 0.00 C ATOM 443 CG ASN A 29 -1.226 -11.166 -3.523 1.00 0.00 C ATOM 444 OD1 ASN A 29 -2.083 -11.514 -2.730 1.00 0.00 O ATOM 445 ND2 ASN A 29 -1.582 -10.864 -4.753 1.00 0.00 N ATOM 0 H ASN A 29 -0.223 -9.535 -1.272 1.00 0.00 H new ATOM 0 HA ASN A 29 0.213 -12.387 -1.465 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.615 -10.081 -3.419 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.802 -11.772 -3.838 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.562 -10.923 -5.029 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.878 -10.571 -5.430 1.00 0.00 H new ATOM 452 N LEU A 30 2.717 -10.755 -0.590 1.00 0.00 N ATOM 453 CA LEU A 30 4.142 -10.753 -0.261 1.00 0.00 C ATOM 454 C LEU A 30 4.390 -11.604 0.992 1.00 0.00 C ATOM 455 O LEU A 30 5.134 -12.583 0.942 1.00 0.00 O ATOM 456 CB LEU A 30 4.614 -9.296 -0.080 1.00 0.00 C ATOM 457 CG LEU A 30 5.808 -8.887 -0.967 1.00 0.00 C ATOM 458 CD1 LEU A 30 5.384 -7.844 -2.005 1.00 0.00 C ATOM 459 CD2 LEU A 30 6.950 -8.342 -0.103 1.00 0.00 C ATOM 0 H LEU A 30 2.179 -10.109 -0.012 1.00 0.00 H new ATOM 0 HA LEU A 30 4.721 -11.197 -1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.778 -8.629 -0.291 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.887 -9.145 0.964 1.00 0.00 H new ATOM 0 HG LEU A 30 6.159 -9.773 -1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.243 -7.571 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.602 -8.260 -2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.005 -6.957 -1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.786 -8.057 -0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.603 -7.470 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.275 -9.111 0.598 1.00 0.00 H new ATOM 471 N VAL A 31 3.713 -11.276 2.102 1.00 0.00 N ATOM 472 CA VAL A 31 3.781 -12.034 3.360 1.00 0.00 C ATOM 473 C VAL A 31 3.281 -13.480 3.183 1.00 0.00 C ATOM 474 O VAL A 31 3.744 -14.368 3.887 1.00 0.00 O ATOM 475 CB VAL A 31 3.037 -11.276 4.484 1.00 0.00 C ATOM 476 CG1 VAL A 31 2.891 -12.103 5.774 1.00 0.00 C ATOM 477 CG2 VAL A 31 3.792 -9.983 4.834 1.00 0.00 C ATOM 0 H VAL A 31 3.095 -10.466 2.152 1.00 0.00 H new ATOM 0 HA VAL A 31 4.826 -12.116 3.659 1.00 0.00 H new ATOM 0 HB VAL A 31 2.040 -11.064 4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.361 -11.516 6.524 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.330 -13.013 5.561 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.879 -12.366 6.151 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.261 -9.455 5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.798 -10.230 5.173 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.852 -9.347 3.951 1.00 0.00 H new ATOM 487 N THR A 32 2.440 -13.740 2.170 1.00 0.00 N ATOM 488 CA THR A 32 2.013 -15.102 1.783 1.00 0.00 C ATOM 489 C THR A 32 3.115 -15.934 1.094 1.00 0.00 C ATOM 490 O THR A 32 2.881 -17.084 0.715 1.00 0.00 O ATOM 491 CB THR A 32 0.716 -15.019 0.956 1.00 0.00 C ATOM 492 OG1 THR A 32 -0.070 -16.163 1.152 1.00 0.00 O ATOM 493 CG2 THR A 32 0.919 -14.823 -0.547 1.00 0.00 C ATOM 0 H THR A 32 2.032 -13.008 1.589 1.00 0.00 H new ATOM 0 HA THR A 32 1.809 -15.655 2.700 1.00 0.00 H new ATOM 0 HB THR A 32 0.216 -14.124 1.326 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.890 -16.092 0.620 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.051 -14.777 -1.042 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.461 -13.894 -0.723 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.492 -15.659 -0.949 1.00 0.00 H new ATOM 501 N ARG A 33 4.327 -15.374 0.930 1.00 0.00 N ATOM 502 CA ARG A 33 5.481 -16.048 0.319 1.00 0.00 C ATOM 503 C ARG A 33 6.810 -15.589 0.937 1.00 0.00 C ATOM 504 O ARG A 33 7.818 -15.497 0.244 1.00 0.00 O ATOM 505 CB ARG A 33 5.407 -15.850 -1.212 1.00 0.00 C ATOM 506 CG ARG A 33 6.245 -16.871 -2.017 1.00 0.00 C ATOM 507 CD ARG A 33 7.568 -16.306 -2.580 1.00 0.00 C ATOM 508 NE ARG A 33 8.754 -16.993 -2.020 1.00 0.00 N ATOM 509 CZ ARG A 33 9.972 -16.478 -1.875 1.00 0.00 C ATOM 510 NH1 ARG A 33 10.269 -15.273 -2.302 1.00 0.00 N ATOM 511 NH2 ARG A 33 10.929 -17.192 -1.312 1.00 0.00 N ATOM 0 H ARG A 33 4.533 -14.420 1.226 1.00 0.00 H new ATOM 0 HA ARG A 33 5.442 -17.117 0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.366 -15.920 -1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.747 -14.843 -1.455 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.471 -17.723 -1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.642 -17.246 -2.844 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.571 -16.407 -3.665 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.629 -15.241 -2.358 1.00 0.00 H new ATOM 0 HE ARG A 33 8.624 -17.958 -1.715 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.557 -14.704 -2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.212 -14.905 -2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.735 -18.139 -0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.863 -16.796 -1.201 1.00 0.00 H new ATOM 525 N GLN A 34 6.848 -15.316 2.245 1.00 0.00 N ATOM 526 CA GLN A 34 8.079 -14.892 2.919 1.00 0.00 C ATOM 527 C GLN A 34 8.305 -15.660 4.227 1.00 0.00 C ATOM 528 O GLN A 34 7.397 -16.289 4.757 1.00 0.00 O ATOM 529 CB GLN A 34 8.052 -13.366 3.125 1.00 0.00 C ATOM 530 CG GLN A 34 9.416 -12.697 2.867 1.00 0.00 C ATOM 531 CD GLN A 34 9.868 -12.789 1.406 1.00 0.00 C ATOM 532 OE1 GLN A 34 9.153 -12.472 0.473 1.00 0.00 O ATOM 533 NE2 GLN A 34 11.092 -13.212 1.150 1.00 0.00 N ATOM 0 H GLN A 34 6.037 -15.382 2.860 1.00 0.00 H new ATOM 0 HA GLN A 34 8.932 -15.133 2.285 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.308 -12.929 2.459 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.734 -13.149 4.145 1.00 0.00 H new ATOM 0 HG2 GLN A 34 9.359 -11.648 3.157 1.00 0.00 H new ATOM 0 HG3 GLN A 34 10.168 -13.164 3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.709 -13.483 1.916 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.421 -13.268 0.186 1.00 0.00 H new ATOM 542 N ARG A 35 9.542 -15.606 4.739 1.00 0.00 N ATOM 543 CA ARG A 35 9.928 -16.264 5.983 1.00 0.00 C ATOM 544 C ARG A 35 9.230 -15.607 7.175 1.00 0.00 C ATOM 545 O ARG A 35 9.151 -14.381 7.265 1.00 0.00 O ATOM 546 CB ARG A 35 11.465 -16.248 6.138 1.00 0.00 C ATOM 547 CG ARG A 35 12.030 -17.588 6.653 1.00 0.00 C ATOM 548 CD ARG A 35 12.035 -17.703 8.184 1.00 0.00 C ATOM 549 NE ARG A 35 12.447 -19.046 8.618 1.00 0.00 N ATOM 550 CZ ARG A 35 12.429 -19.524 9.860 1.00 0.00 C ATOM 551 NH1 ARG A 35 12.001 -18.817 10.881 1.00 0.00 N ATOM 552 NH2 ARG A 35 12.827 -20.747 10.102 1.00 0.00 N ATOM 0 H ARG A 35 10.306 -15.098 4.293 1.00 0.00 H new ATOM 0 HA ARG A 35 9.608 -17.305 5.951 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.920 -16.014 5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.748 -15.452 6.827 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.441 -18.405 6.237 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.048 -17.709 6.284 1.00 0.00 H new ATOM 0 HD2 ARG A 35 12.712 -16.959 8.604 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.040 -17.483 8.571 1.00 0.00 H new ATOM 0 HE ARG A 35 12.782 -19.678 7.891 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.666 -17.864 10.737 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.004 -19.221 11.818 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.153 -21.338 9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.811 -21.109 11.055 1.00 0.00 H new ATOM 566 N TYR A 36 8.781 -16.446 8.113 1.00 0.00 N ATOM 567 CA TYR A 36 8.076 -16.039 9.322 1.00 0.00 C ATOM 568 C TYR A 36 9.032 -16.143 10.521 1.00 0.00 C ATOM 569 O TYR A 36 9.408 -17.216 10.966 1.00 0.00 O ATOM 570 CB TYR A 36 6.787 -16.872 9.445 1.00 0.00 C ATOM 571 CG TYR A 36 5.537 -16.039 9.660 1.00 0.00 C ATOM 572 CD1 TYR A 36 5.175 -15.641 10.961 1.00 0.00 C ATOM 573 CD2 TYR A 36 4.740 -15.659 8.557 1.00 0.00 C ATOM 574 CE1 TYR A 36 4.009 -14.874 11.163 1.00 0.00 C ATOM 575 CE2 TYR A 36 3.567 -14.914 8.759 1.00 0.00 C ATOM 576 CZ TYR A 36 3.198 -14.515 10.063 1.00 0.00 C ATOM 577 OH TYR A 36 2.059 -13.799 10.270 1.00 0.00 O ATOM 0 H TYR A 36 8.904 -17.456 8.046 1.00 0.00 H new ATOM 0 HA TYR A 36 7.761 -14.996 9.286 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.664 -17.469 8.541 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.894 -17.570 10.275 1.00 0.00 H new ATOM 0 HD1 TYR A 36 5.790 -15.923 11.803 1.00 0.00 H new ATOM 0 HD2 TYR A 36 5.033 -15.942 7.557 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.736 -14.561 12.160 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.946 -14.646 7.917 1.00 0.00 H new ATOM 0 HH TYR A 36 1.616 -13.633 9.412 1.00 0.00 H new HETATM 587 N NH2 A 37 9.554 -15.030 11.007 1.00 0.00 N TER 590 NH2 A 37