USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 289 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 TYR N :NH3+ -131:sc= 0.452 (180deg=0.0284) 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= 0.0188 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 73:sc= 0.372 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 14.875 -8.154 -13.251 1.00 0.00 N ATOM 2 CA TYR A 1 14.395 -6.998 -12.452 1.00 0.00 C ATOM 3 C TYR A 1 13.744 -7.440 -11.165 1.00 0.00 C ATOM 4 O TYR A 1 13.356 -8.600 -11.053 1.00 0.00 O ATOM 5 CB TYR A 1 13.490 -6.084 -13.308 1.00 0.00 C ATOM 6 CG TYR A 1 12.434 -6.813 -14.119 1.00 0.00 C ATOM 7 CD1 TYR A 1 11.445 -7.570 -13.465 1.00 0.00 C ATOM 8 CD2 TYR A 1 12.437 -6.737 -15.524 1.00 0.00 C ATOM 9 CE1 TYR A 1 10.463 -8.251 -14.203 1.00 0.00 C ATOM 10 CE2 TYR A 1 11.442 -7.399 -16.270 1.00 0.00 C ATOM 11 CZ TYR A 1 10.447 -8.156 -15.608 1.00 0.00 C ATOM 12 OH TYR A 1 9.450 -8.764 -16.306 1.00 0.00 O ATOM 0 H1 TYR A 1 15.858 -7.987 -13.547 1.00 0.00 H new ATOM 0 H2 TYR A 1 14.830 -9.018 -12.674 1.00 0.00 H new ATOM 0 H3 TYR A 1 14.274 -8.268 -14.092 1.00 0.00 H new ATOM 0 HA TYR A 1 15.258 -6.402 -12.155 1.00 0.00 H new ATOM 0 HB2 TYR A 1 12.994 -5.369 -12.651 1.00 0.00 H new ATOM 0 HB3 TYR A 1 14.118 -5.509 -13.989 1.00 0.00 H new ATOM 0 HD1 TYR A 1 11.441 -7.628 -12.387 1.00 0.00 H new ATOM 0 HD2 TYR A 1 13.203 -6.170 -16.031 1.00 0.00 H new ATOM 0 HE1 TYR A 1 9.721 -8.847 -13.693 1.00 0.00 H new ATOM 0 HE2 TYR A 1 11.439 -7.329 -17.348 1.00 0.00 H new ATOM 0 HH TYR A 1 9.578 -8.606 -17.265 1.00 0.00 H new ATOM 24 N PRO A 2 13.678 -6.531 -10.173 1.00 0.00 N ATOM 25 CA PRO A 2 13.238 -6.872 -8.846 1.00 0.00 C ATOM 26 C PRO A 2 11.716 -6.955 -8.802 1.00 0.00 C ATOM 27 O PRO A 2 11.148 -7.474 -7.850 1.00 0.00 O ATOM 28 CB PRO A 2 13.719 -5.757 -7.910 1.00 0.00 C ATOM 29 CG PRO A 2 13.767 -4.540 -8.825 1.00 0.00 C ATOM 30 CD PRO A 2 14.102 -5.149 -10.185 1.00 0.00 C ATOM 0 HA PRO A 2 13.641 -7.839 -8.545 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.035 -5.608 -7.075 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.697 -5.981 -7.484 1.00 0.00 H new ATOM 0 HG2 PRO A 2 12.815 -4.010 -8.843 1.00 0.00 H new ATOM 0 HG3 PRO A 2 14.524 -3.824 -8.505 1.00 0.00 H new ATOM 0 HD2 PRO A 2 13.597 -4.603 -10.982 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.172 -5.081 -10.380 1.00 0.00 H new ATOM 38 N ALA A 3 11.079 -6.407 -9.848 1.00 0.00 N ATOM 39 CA ALA A 3 9.657 -6.431 -10.122 1.00 0.00 C ATOM 40 C ALA A 3 8.798 -5.773 -9.024 1.00 0.00 C ATOM 41 O ALA A 3 7.584 -5.968 -8.956 1.00 0.00 O ATOM 42 CB ALA A 3 9.307 -7.876 -10.475 1.00 0.00 C ATOM 0 H ALA A 3 11.593 -5.902 -10.570 1.00 0.00 H new ATOM 0 HA ALA A 3 9.409 -5.795 -10.972 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.241 -7.950 -10.691 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.877 -8.185 -11.351 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.552 -8.525 -9.635 1.00 0.00 H new ATOM 48 N LYS A 4 9.454 -4.948 -8.201 1.00 0.00 N ATOM 49 CA LYS A 4 8.935 -4.255 -7.033 1.00 0.00 C ATOM 50 C LYS A 4 9.459 -2.809 -7.035 1.00 0.00 C ATOM 51 O LYS A 4 10.632 -2.605 -7.358 1.00 0.00 O ATOM 52 CB LYS A 4 9.414 -5.029 -5.794 1.00 0.00 C ATOM 53 CG LYS A 4 8.945 -4.420 -4.462 1.00 0.00 C ATOM 54 CD LYS A 4 9.640 -5.025 -3.238 1.00 0.00 C ATOM 55 CE LYS A 4 11.114 -4.597 -3.183 1.00 0.00 C ATOM 56 NZ LYS A 4 11.785 -5.068 -1.948 1.00 0.00 N ATOM 0 H LYS A 4 10.440 -4.736 -8.353 1.00 0.00 H new ATOM 0 HA LYS A 4 7.846 -4.212 -7.034 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.057 -6.057 -5.859 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.503 -5.069 -5.801 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.126 -3.345 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.868 -4.561 -4.366 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.130 -4.706 -2.329 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.573 -6.112 -3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 4 11.638 -4.992 -4.053 1.00 0.00 H new ATOM 0 HE3 LYS A 4 11.178 -3.510 -3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 12.777 -4.757 -1.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.301 -4.671 -1.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 11.748 -6.107 -1.907 1.00 0.00 H new ATOM 70 N PRO A 5 8.630 -1.823 -6.650 1.00 0.00 N ATOM 71 CA PRO A 5 9.006 -0.424 -6.550 1.00 0.00 C ATOM 72 C PRO A 5 9.964 -0.258 -5.387 1.00 0.00 C ATOM 73 O PRO A 5 9.840 -0.937 -4.364 1.00 0.00 O ATOM 74 CB PRO A 5 7.705 0.350 -6.306 1.00 0.00 C ATOM 75 CG PRO A 5 6.795 -0.675 -5.636 1.00 0.00 C ATOM 76 CD PRO A 5 7.243 -1.973 -6.289 1.00 0.00 C ATOM 0 HA PRO A 5 9.504 -0.058 -7.448 1.00 0.00 H new ATOM 0 HB2 PRO A 5 7.869 1.218 -5.667 1.00 0.00 H new ATOM 0 HB3 PRO A 5 7.276 0.717 -7.239 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.930 -0.695 -4.555 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.741 -0.468 -5.822 1.00 0.00 H new ATOM 0 HD2 PRO A 5 7.114 -2.811 -5.604 1.00 0.00 H new ATOM 0 HD3 PRO A 5 6.639 -2.187 -7.171 1.00 0.00 H new ATOM 84 N GLU A 6 10.924 0.650 -5.537 1.00 0.00 N ATOM 85 CA GLU A 6 11.840 0.901 -4.442 1.00 0.00 C ATOM 86 C GLU A 6 11.147 1.687 -3.311 1.00 0.00 C ATOM 87 O GLU A 6 10.121 2.331 -3.535 1.00 0.00 O ATOM 88 CB GLU A 6 13.088 1.659 -4.938 1.00 0.00 C ATOM 89 CG GLU A 6 13.919 0.900 -5.986 1.00 0.00 C ATOM 90 CD GLU A 6 15.061 1.769 -6.538 1.00 0.00 C ATOM 91 OE1 GLU A 6 15.936 2.163 -5.731 1.00 0.00 O ATOM 92 OE2 GLU A 6 15.058 2.025 -7.763 1.00 0.00 O ATOM 0 H GLU A 6 11.082 1.205 -6.378 1.00 0.00 H new ATOM 0 HA GLU A 6 12.157 -0.062 -4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.774 2.612 -5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 6 13.724 1.885 -4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.332 -0.004 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 6 13.273 0.584 -6.805 1.00 0.00 H new ATOM 99 N ALA A 7 11.710 1.658 -2.095 1.00 0.00 N ATOM 100 CA ALA A 7 11.175 2.387 -0.940 1.00 0.00 C ATOM 101 C ALA A 7 10.992 3.873 -1.186 1.00 0.00 C ATOM 102 O ALA A 7 11.810 4.485 -1.881 1.00 0.00 O ATOM 103 CB ALA A 7 12.078 2.131 0.278 1.00 0.00 C ATOM 0 H ALA A 7 12.554 1.125 -1.886 1.00 0.00 H new ATOM 0 HA ALA A 7 10.172 2.006 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.687 2.670 1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.100 1.063 0.496 1.00 0.00 H new ATOM 0 HB3 ALA A 7 13.088 2.478 0.061 1.00 0.00 H new ATOM 109 N PRO A 8 9.914 4.462 -0.621 1.00 0.00 N ATOM 110 CA PRO A 8 9.588 5.811 -0.957 1.00 0.00 C ATOM 111 C PRO A 8 10.605 6.770 -0.336 1.00 0.00 C ATOM 112 O PRO A 8 11.381 6.402 0.550 1.00 0.00 O ATOM 113 CB PRO A 8 8.177 6.072 -0.413 1.00 0.00 C ATOM 114 CG PRO A 8 8.145 5.169 0.806 1.00 0.00 C ATOM 115 CD PRO A 8 8.843 3.950 0.222 1.00 0.00 C ATOM 0 HA PRO A 8 9.616 5.971 -2.035 1.00 0.00 H new ATOM 0 HB2 PRO A 8 8.027 7.119 -0.151 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.405 5.811 -1.136 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.679 5.592 1.657 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.131 4.952 1.142 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.240 3.313 1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.147 3.343 -0.358 1.00 0.00 H new ATOM 123 N GLY A 9 10.544 8.034 -0.753 1.00 0.00 N ATOM 124 CA GLY A 9 11.317 9.086 -0.108 1.00 0.00 C ATOM 125 C GLY A 9 10.966 9.200 1.379 1.00 0.00 C ATOM 126 O GLY A 9 9.795 9.213 1.755 1.00 0.00 O ATOM 0 H GLY A 9 9.968 8.351 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 9 12.381 8.878 -0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.125 10.038 -0.604 1.00 0.00 H new ATOM 130 N GLU A 10 11.979 9.323 2.238 1.00 0.00 N ATOM 131 CA GLU A 10 11.775 9.569 3.672 1.00 0.00 C ATOM 132 C GLU A 10 11.010 10.883 3.933 1.00 0.00 C ATOM 133 O GLU A 10 10.260 10.985 4.902 1.00 0.00 O ATOM 134 CB GLU A 10 13.145 9.527 4.363 1.00 0.00 C ATOM 135 CG GLU A 10 13.035 9.475 5.893 1.00 0.00 C ATOM 136 CD GLU A 10 14.337 9.009 6.566 1.00 0.00 C ATOM 137 OE1 GLU A 10 15.431 9.278 6.020 1.00 0.00 O ATOM 138 OE2 GLU A 10 14.220 8.342 7.619 1.00 0.00 O ATOM 0 H GLU A 10 12.959 9.256 1.965 1.00 0.00 H new ATOM 0 HA GLU A 10 11.140 8.790 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.698 8.655 4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.720 10.406 4.074 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.771 10.464 6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 10 12.225 8.801 6.172 1.00 0.00 H new ATOM 145 N ASP A 11 11.128 11.836 3.002 1.00 0.00 N ATOM 146 CA ASP A 11 10.415 13.112 2.921 1.00 0.00 C ATOM 147 C ASP A 11 9.214 13.086 1.932 1.00 0.00 C ATOM 148 O ASP A 11 8.699 14.138 1.541 1.00 0.00 O ATOM 149 CB ASP A 11 11.463 14.203 2.622 1.00 0.00 C ATOM 150 CG ASP A 11 12.316 13.896 1.386 1.00 0.00 C ATOM 151 OD1 ASP A 11 13.321 13.166 1.552 1.00 0.00 O ATOM 152 OD2 ASP A 11 11.945 14.351 0.285 1.00 0.00 O ATOM 0 H ASP A 11 11.778 11.724 2.224 1.00 0.00 H new ATOM 0 HA ASP A 11 9.930 13.334 3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 11 10.955 15.156 2.477 1.00 0.00 H new ATOM 0 HB3 ASP A 11 12.116 14.318 3.487 1.00 0.00 H new ATOM 157 N ALA A 12 8.743 11.891 1.524 1.00 0.00 N ATOM 158 CA ALA A 12 7.568 11.697 0.658 1.00 0.00 C ATOM 159 C ALA A 12 6.233 11.890 1.416 1.00 0.00 C ATOM 160 O ALA A 12 6.128 11.609 2.611 1.00 0.00 O ATOM 161 CB ALA A 12 7.626 10.300 -0.025 1.00 0.00 C ATOM 0 H ALA A 12 9.183 11.012 1.796 1.00 0.00 H new ATOM 0 HA ALA A 12 7.601 12.469 -0.111 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.751 10.170 -0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.530 10.228 -0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.638 9.522 0.738 1.00 0.00 H new ATOM 167 N SER A 13 5.180 12.329 0.710 1.00 0.00 N ATOM 168 CA SER A 13 3.833 12.524 1.267 1.00 0.00 C ATOM 169 C SER A 13 3.124 11.259 1.723 1.00 0.00 C ATOM 170 O SER A 13 3.337 10.178 1.189 1.00 0.00 O ATOM 171 CB SER A 13 2.919 13.249 0.255 1.00 0.00 C ATOM 172 OG SER A 13 3.602 14.136 -0.619 1.00 0.00 O ATOM 0 H SER A 13 5.242 12.562 -0.281 1.00 0.00 H new ATOM 0 HA SER A 13 4.006 13.126 2.159 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.394 12.503 -0.341 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.162 13.809 0.804 1.00 0.00 H new ATOM 0 HG SER A 13 2.959 14.554 -1.229 1.00 0.00 H new ATOM 178 N PRO A 14 2.216 11.376 2.706 1.00 0.00 N ATOM 179 CA PRO A 14 1.754 10.225 3.436 1.00 0.00 C ATOM 180 C PRO A 14 0.828 9.338 2.612 1.00 0.00 C ATOM 181 O PRO A 14 0.783 8.124 2.777 1.00 0.00 O ATOM 182 CB PRO A 14 1.006 10.740 4.688 1.00 0.00 C ATOM 183 CG PRO A 14 0.808 12.212 4.363 1.00 0.00 C ATOM 184 CD PRO A 14 2.154 12.405 3.685 1.00 0.00 C ATOM 0 HA PRO A 14 2.614 9.610 3.702 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.057 10.225 4.836 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.590 10.599 5.598 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -0.040 12.401 3.705 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.673 12.837 5.246 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.229 13.392 3.228 1.00 0.00 H new ATOM 0 HD3 PRO A 14 2.973 12.322 4.400 1.00 0.00 H new ATOM 192 N GLU A 15 0.086 9.966 1.704 1.00 0.00 N ATOM 193 CA GLU A 15 -0.748 9.278 0.735 1.00 0.00 C ATOM 194 C GLU A 15 0.094 8.427 -0.246 1.00 0.00 C ATOM 195 O GLU A 15 -0.327 7.331 -0.619 1.00 0.00 O ATOM 196 CB GLU A 15 -1.589 10.353 0.033 1.00 0.00 C ATOM 197 CG GLU A 15 -2.821 9.774 -0.664 1.00 0.00 C ATOM 198 CD GLU A 15 -3.612 10.869 -1.399 1.00 0.00 C ATOM 199 OE1 GLU A 15 -3.944 11.896 -0.758 1.00 0.00 O ATOM 200 OE2 GLU A 15 -3.861 10.685 -2.611 1.00 0.00 O ATOM 0 H GLU A 15 0.050 10.982 1.623 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.405 8.559 1.223 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.906 11.096 0.765 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.971 10.871 -0.700 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.513 9.006 -1.374 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.463 9.289 0.071 1.00 0.00 H new ATOM 207 N GLU A 16 1.316 8.869 -0.591 1.00 0.00 N ATOM 208 CA GLU A 16 2.268 8.108 -1.428 1.00 0.00 C ATOM 209 C GLU A 16 2.699 6.816 -0.723 1.00 0.00 C ATOM 210 O GLU A 16 2.762 5.742 -1.328 1.00 0.00 O ATOM 211 CB GLU A 16 3.530 8.941 -1.740 1.00 0.00 C ATOM 212 CG GLU A 16 3.278 10.183 -2.608 1.00 0.00 C ATOM 213 CD GLU A 16 3.177 9.914 -4.113 1.00 0.00 C ATOM 214 OE1 GLU A 16 3.160 8.723 -4.505 1.00 0.00 O ATOM 215 OE2 GLU A 16 3.076 10.949 -4.826 1.00 0.00 O ATOM 0 H GLU A 16 1.677 9.776 -0.294 1.00 0.00 H new ATOM 0 HA GLU A 16 1.754 7.869 -2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.983 9.257 -0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.255 8.302 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.354 10.658 -2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.083 10.897 -2.435 1.00 0.00 H new ATOM 222 N LEU A 17 2.952 6.937 0.586 1.00 0.00 N ATOM 223 CA LEU A 17 3.298 5.854 1.492 1.00 0.00 C ATOM 224 C LEU A 17 2.273 4.698 1.396 1.00 0.00 C ATOM 225 O LEU A 17 2.660 3.548 1.176 1.00 0.00 O ATOM 226 CB LEU A 17 3.488 6.474 2.910 1.00 0.00 C ATOM 227 CG LEU A 17 4.942 6.722 3.342 1.00 0.00 C ATOM 228 CD1 LEU A 17 5.796 5.454 3.482 1.00 0.00 C ATOM 229 CD2 LEU A 17 5.601 7.708 2.377 1.00 0.00 C ATOM 0 H LEU A 17 2.917 7.841 1.057 1.00 0.00 H new ATOM 0 HA LEU A 17 4.239 5.375 1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.951 7.422 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.019 5.814 3.640 1.00 0.00 H new ATOM 0 HG LEU A 17 4.891 7.141 4.347 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.805 5.727 3.790 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.353 4.798 4.231 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.837 4.935 2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.632 7.883 2.684 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.588 7.294 1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.053 8.650 2.389 1.00 0.00 H new ATOM 241 N SER A 18 0.970 5.002 1.467 1.00 0.00 N ATOM 242 CA SER A 18 -0.127 4.032 1.295 1.00 0.00 C ATOM 243 C SER A 18 -0.078 3.276 -0.037 1.00 0.00 C ATOM 244 O SER A 18 -0.148 2.044 -0.039 1.00 0.00 O ATOM 245 CB SER A 18 -1.483 4.733 1.412 1.00 0.00 C ATOM 246 OG SER A 18 -1.648 5.255 2.715 1.00 0.00 O ATOM 0 H SER A 18 0.639 5.949 1.650 1.00 0.00 H new ATOM 0 HA SER A 18 0.002 3.299 2.091 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.550 5.536 0.679 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.285 4.030 1.189 1.00 0.00 H new ATOM 0 HG SER A 18 -2.517 5.703 2.780 1.00 0.00 H new ATOM 252 N ARG A 19 0.045 3.998 -1.164 1.00 0.00 N ATOM 253 CA ARG A 19 0.185 3.399 -2.500 1.00 0.00 C ATOM 254 C ARG A 19 1.334 2.388 -2.518 1.00 0.00 C ATOM 255 O ARG A 19 1.118 1.224 -2.861 1.00 0.00 O ATOM 256 CB ARG A 19 0.357 4.511 -3.553 1.00 0.00 C ATOM 257 CG ARG A 19 0.518 3.953 -4.974 1.00 0.00 C ATOM 258 CD ARG A 19 0.714 5.089 -5.986 1.00 0.00 C ATOM 259 NE ARG A 19 0.706 4.577 -7.368 1.00 0.00 N ATOM 260 CZ ARG A 19 -0.360 4.231 -8.085 1.00 0.00 C ATOM 261 NH1 ARG A 19 -1.585 4.329 -7.607 1.00 0.00 N ATOM 262 NH2 ARG A 19 -0.200 3.773 -9.304 1.00 0.00 N ATOM 0 H ARG A 19 0.050 5.018 -1.172 1.00 0.00 H new ATOM 0 HA ARG A 19 -0.720 2.846 -2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -0.508 5.174 -3.522 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.230 5.114 -3.301 1.00 0.00 H new ATOM 0 HG2 ARG A 19 1.372 3.277 -5.009 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -0.362 3.369 -5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.077 5.829 -5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.658 5.597 -5.789 1.00 0.00 H new ATOM 0 HE ARG A 19 1.614 4.477 -7.823 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.737 4.679 -6.661 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.381 4.055 -8.183 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.737 3.684 -9.696 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.013 3.506 -9.859 1.00 0.00 H new ATOM 276 N TYR A 20 2.525 2.827 -2.095 1.00 0.00 N ATOM 277 CA TYR A 20 3.722 1.993 -2.003 1.00 0.00 C ATOM 278 C TYR A 20 3.484 0.702 -1.202 1.00 0.00 C ATOM 279 O TYR A 20 3.790 -0.392 -1.683 1.00 0.00 O ATOM 280 CB TYR A 20 4.876 2.813 -1.404 1.00 0.00 C ATOM 281 CG TYR A 20 6.079 1.947 -1.090 1.00 0.00 C ATOM 282 CD1 TYR A 20 6.961 1.583 -2.124 1.00 0.00 C ATOM 283 CD2 TYR A 20 6.270 1.439 0.212 1.00 0.00 C ATOM 284 CE1 TYR A 20 8.023 0.703 -1.860 1.00 0.00 C ATOM 285 CE2 TYR A 20 7.338 0.560 0.479 1.00 0.00 C ATOM 286 CZ TYR A 20 8.215 0.186 -0.564 1.00 0.00 C ATOM 287 OH TYR A 20 9.242 -0.677 -0.339 1.00 0.00 O ATOM 0 H TYR A 20 2.684 3.791 -1.802 1.00 0.00 H new ATOM 0 HA TYR A 20 3.987 1.678 -3.012 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.166 3.597 -2.103 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.536 3.307 -0.494 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.822 1.980 -3.119 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.596 1.725 1.006 1.00 0.00 H new ATOM 0 HE1 TYR A 20 8.697 0.421 -2.656 1.00 0.00 H new ATOM 0 HE2 TYR A 20 7.486 0.174 1.477 1.00 0.00 H new ATOM 0 HH TYR A 20 9.244 -0.944 0.604 1.00 0.00 H new ATOM 297 N TYR A 21 2.933 0.818 0.013 1.00 0.00 N ATOM 298 CA TYR A 21 2.656 -0.326 0.883 1.00 0.00 C ATOM 299 C TYR A 21 1.802 -1.399 0.193 1.00 0.00 C ATOM 300 O TYR A 21 2.157 -2.581 0.227 1.00 0.00 O ATOM 301 CB TYR A 21 1.981 0.158 2.176 1.00 0.00 C ATOM 302 CG TYR A 21 2.918 0.659 3.252 1.00 0.00 C ATOM 303 CD1 TYR A 21 3.944 -0.165 3.760 1.00 0.00 C ATOM 304 CD2 TYR A 21 2.721 1.945 3.784 1.00 0.00 C ATOM 305 CE1 TYR A 21 4.782 0.311 4.788 1.00 0.00 C ATOM 306 CE2 TYR A 21 3.558 2.428 4.801 1.00 0.00 C ATOM 307 CZ TYR A 21 4.590 1.612 5.309 1.00 0.00 C ATOM 308 OH TYR A 21 5.378 2.077 6.317 1.00 0.00 O ATOM 0 H TYR A 21 2.666 1.714 0.420 1.00 0.00 H new ATOM 0 HA TYR A 21 3.610 -0.796 1.123 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.285 0.958 1.924 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.391 -0.662 2.586 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.087 -1.159 3.362 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.921 2.565 3.408 1.00 0.00 H new ATOM 0 HE1 TYR A 21 5.570 -0.317 5.178 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.412 3.423 5.194 1.00 0.00 H new ATOM 0 HH TYR A 21 5.107 2.989 6.550 1.00 0.00 H new ATOM 318 N ALA A 22 0.700 -0.992 -0.450 1.00 0.00 N ATOM 319 CA ALA A 22 -0.161 -1.895 -1.211 1.00 0.00 C ATOM 320 C ALA A 22 0.611 -2.597 -2.351 1.00 0.00 C ATOM 321 O ALA A 22 0.500 -3.815 -2.520 1.00 0.00 O ATOM 322 CB ALA A 22 -1.380 -1.112 -1.722 1.00 0.00 C ATOM 0 H ALA A 22 0.383 -0.023 -0.455 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.512 -2.695 -0.558 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.028 -1.778 -2.291 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.932 -0.705 -0.875 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.046 -0.296 -2.363 1.00 0.00 H new ATOM 328 N SER A 23 1.443 -1.844 -3.091 1.00 0.00 N ATOM 329 CA SER A 23 2.301 -2.377 -4.159 1.00 0.00 C ATOM 330 C SER A 23 3.312 -3.417 -3.659 1.00 0.00 C ATOM 331 O SER A 23 3.572 -4.399 -4.356 1.00 0.00 O ATOM 332 CB SER A 23 3.080 -1.255 -4.855 1.00 0.00 C ATOM 333 OG SER A 23 2.242 -0.204 -5.291 1.00 0.00 O ATOM 0 H SER A 23 1.538 -0.837 -2.961 1.00 0.00 H new ATOM 0 HA SER A 23 1.620 -2.863 -4.857 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.829 -0.858 -4.170 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.617 -1.666 -5.710 1.00 0.00 H new ATOM 0 HG SER A 23 1.936 0.313 -4.517 1.00 0.00 H new ATOM 339 N LEU A 24 3.862 -3.239 -2.448 1.00 0.00 N ATOM 340 CA LEU A 24 4.806 -4.180 -1.835 1.00 0.00 C ATOM 341 C LEU A 24 4.205 -5.592 -1.766 1.00 0.00 C ATOM 342 O LEU A 24 4.790 -6.558 -2.269 1.00 0.00 O ATOM 343 CB LEU A 24 5.209 -3.684 -0.429 1.00 0.00 C ATOM 344 CG LEU A 24 6.643 -4.050 -0.003 1.00 0.00 C ATOM 345 CD1 LEU A 24 6.821 -3.727 1.484 1.00 0.00 C ATOM 346 CD2 LEU A 24 7.016 -5.524 -0.211 1.00 0.00 C ATOM 0 H LEU A 24 3.660 -2.429 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 24 5.700 -4.230 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.101 -2.600 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.512 -4.096 0.300 1.00 0.00 H new ATOM 0 HG LEU A 24 7.300 -3.462 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.834 -3.984 1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.650 -2.663 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.106 -4.304 2.070 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.042 -5.689 0.116 1.00 0.00 H new ATOM 0 HD22 LEU A 24 6.344 -6.155 0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 24 6.927 -5.776 -1.268 1.00 0.00 H new ATOM 358 N ARG A 25 3.013 -5.706 -1.156 1.00 0.00 N ATOM 359 CA ARG A 25 2.297 -6.981 -1.060 1.00 0.00 C ATOM 360 C ARG A 25 1.949 -7.529 -2.443 1.00 0.00 C ATOM 361 O ARG A 25 2.061 -8.733 -2.642 1.00 0.00 O ATOM 362 CB ARG A 25 1.035 -6.851 -0.184 1.00 0.00 C ATOM 363 CG ARG A 25 0.710 -8.166 0.551 1.00 0.00 C ATOM 364 CD ARG A 25 1.711 -8.523 1.669 1.00 0.00 C ATOM 365 NE ARG A 25 1.290 -8.016 2.990 1.00 0.00 N ATOM 366 CZ ARG A 25 1.551 -6.836 3.536 1.00 0.00 C ATOM 367 NH1 ARG A 25 2.242 -5.918 2.898 1.00 0.00 N ATOM 368 NH2 ARG A 25 1.112 -6.565 4.742 1.00 0.00 N ATOM 0 H ARG A 25 2.526 -4.923 -0.721 1.00 0.00 H new ATOM 0 HA ARG A 25 2.965 -7.695 -0.578 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.179 -6.053 0.545 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.188 -6.564 -0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.289 -8.093 0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.686 -8.979 -0.174 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.824 -9.606 1.719 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.689 -8.112 1.421 1.00 0.00 H new ATOM 0 HE ARG A 25 0.728 -8.653 3.554 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.592 -6.105 1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.428 -5.019 3.342 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.572 -7.261 5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 25 1.311 -5.659 5.165 1.00 0.00 H new ATOM 382 N HIS A 26 1.589 -6.659 -3.392 1.00 0.00 N ATOM 383 CA HIS A 26 1.256 -7.024 -4.769 1.00 0.00 C ATOM 384 C HIS A 26 2.362 -7.841 -5.449 1.00 0.00 C ATOM 385 O HIS A 26 2.084 -8.904 -6.005 1.00 0.00 O ATOM 386 CB HIS A 26 0.948 -5.758 -5.580 1.00 0.00 C ATOM 387 CG HIS A 26 0.062 -6.031 -6.763 1.00 0.00 C ATOM 388 ND1 HIS A 26 0.406 -6.751 -7.885 1.00 0.00 N ATOM 389 CD2 HIS A 26 -1.234 -5.619 -6.907 1.00 0.00 C ATOM 390 CE1 HIS A 26 -0.666 -6.762 -8.696 1.00 0.00 C ATOM 391 NE2 HIS A 26 -1.691 -6.103 -8.136 1.00 0.00 N ATOM 0 H HIS A 26 1.520 -5.656 -3.217 1.00 0.00 H new ATOM 0 HA HIS A 26 0.374 -7.663 -4.733 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.468 -5.024 -4.933 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.883 -5.316 -5.925 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.800 -5.029 -6.201 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.697 -7.237 -9.666 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -2.623 -5.979 -8.531 1.00 0.00 H new ATOM 399 N TYR A 27 3.613 -7.358 -5.392 1.00 0.00 N ATOM 400 CA TYR A 27 4.764 -8.106 -5.902 1.00 0.00 C ATOM 401 C TYR A 27 4.890 -9.460 -5.204 1.00 0.00 C ATOM 402 O TYR A 27 4.850 -10.485 -5.880 1.00 0.00 O ATOM 403 CB TYR A 27 6.061 -7.298 -5.770 1.00 0.00 C ATOM 404 CG TYR A 27 7.303 -8.139 -6.027 1.00 0.00 C ATOM 405 CD1 TYR A 27 7.506 -8.722 -7.292 1.00 0.00 C ATOM 406 CD2 TYR A 27 8.213 -8.399 -4.980 1.00 0.00 C ATOM 407 CE1 TYR A 27 8.608 -9.568 -7.516 1.00 0.00 C ATOM 408 CE2 TYR A 27 9.337 -9.214 -5.210 1.00 0.00 C ATOM 409 CZ TYR A 27 9.531 -9.809 -6.476 1.00 0.00 C ATOM 410 OH TYR A 27 10.587 -10.641 -6.681 1.00 0.00 O ATOM 0 H TYR A 27 3.850 -6.449 -4.995 1.00 0.00 H new ATOM 0 HA TYR A 27 4.595 -8.287 -6.963 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.039 -6.465 -6.473 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.118 -6.869 -4.769 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.813 -8.519 -8.095 1.00 0.00 H new ATOM 0 HD2 TYR A 27 8.047 -7.972 -4.002 1.00 0.00 H new ATOM 0 HE1 TYR A 27 8.747 -10.032 -8.481 1.00 0.00 H new ATOM 0 HE2 TYR A 27 10.051 -9.384 -4.418 1.00 0.00 H new ATOM 0 HH TYR A 27 11.124 -10.695 -5.863 1.00 0.00 H new ATOM 420 N LEU A 28 5.006 -9.467 -3.867 1.00 0.00 N ATOM 421 CA LEU A 28 5.176 -10.688 -3.073 1.00 0.00 C ATOM 422 C LEU A 28 4.082 -11.722 -3.392 1.00 0.00 C ATOM 423 O LEU A 28 4.383 -12.900 -3.564 1.00 0.00 O ATOM 424 CB LEU A 28 5.228 -10.307 -1.581 1.00 0.00 C ATOM 425 CG LEU A 28 5.844 -11.348 -0.620 1.00 0.00 C ATOM 426 CD1 LEU A 28 4.986 -12.604 -0.423 1.00 0.00 C ATOM 427 CD2 LEU A 28 7.270 -11.749 -1.022 1.00 0.00 C ATOM 0 H LEU A 28 4.984 -8.617 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 28 6.117 -11.172 -3.334 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.793 -9.380 -1.486 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.212 -10.096 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 28 5.881 -10.832 0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 28 5.489 -13.284 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.017 -12.322 -0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.842 -13.100 -1.383 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.655 -12.482 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.258 -12.182 -2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.911 -10.867 -1.016 1.00 0.00 H new ATOM 439 N ASN A 29 2.832 -11.274 -3.550 1.00 0.00 N ATOM 440 CA ASN A 29 1.687 -12.109 -3.907 1.00 0.00 C ATOM 441 C ASN A 29 1.859 -12.820 -5.259 1.00 0.00 C ATOM 442 O ASN A 29 1.469 -13.974 -5.396 1.00 0.00 O ATOM 443 CB ASN A 29 0.429 -11.228 -3.909 1.00 0.00 C ATOM 444 CG ASN A 29 -0.855 -12.035 -3.820 1.00 0.00 C ATOM 445 OD1 ASN A 29 -1.004 -12.925 -3.000 1.00 0.00 O ATOM 446 ND2 ASN A 29 -1.850 -11.702 -4.615 1.00 0.00 N ATOM 0 H ASN A 29 2.585 -10.292 -3.429 1.00 0.00 H new ATOM 0 HA ASN A 29 1.598 -12.903 -3.166 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.476 -10.534 -3.070 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.413 -10.627 -4.818 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.744 -12.188 -4.544 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.727 -10.958 -5.302 1.00 0.00 H new ATOM 453 N LEU A 30 2.463 -12.160 -6.257 1.00 0.00 N ATOM 454 CA LEU A 30 2.775 -12.780 -7.549 1.00 0.00 C ATOM 455 C LEU A 30 3.849 -13.882 -7.424 1.00 0.00 C ATOM 456 O LEU A 30 3.855 -14.832 -8.208 1.00 0.00 O ATOM 457 CB LEU A 30 3.157 -11.660 -8.536 1.00 0.00 C ATOM 458 CG LEU A 30 3.124 -12.081 -10.023 1.00 0.00 C ATOM 459 CD1 LEU A 30 2.813 -10.862 -10.899 1.00 0.00 C ATOM 460 CD2 LEU A 30 4.439 -12.721 -10.495 1.00 0.00 C ATOM 0 H LEU A 30 2.748 -11.183 -6.190 1.00 0.00 H new ATOM 0 HA LEU A 30 1.899 -13.302 -7.934 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.478 -10.820 -8.394 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.159 -11.305 -8.294 1.00 0.00 H new ATOM 0 HG LEU A 30 2.343 -12.835 -10.120 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.791 -11.163 -11.946 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.843 -10.451 -10.619 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.584 -10.105 -10.755 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.353 -12.995 -11.547 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.255 -12.009 -10.371 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.642 -13.613 -9.903 1.00 0.00 H new ATOM 472 N VAL A 31 4.705 -13.826 -6.392 1.00 0.00 N ATOM 473 CA VAL A 31 5.771 -14.808 -6.099 1.00 0.00 C ATOM 474 C VAL A 31 5.226 -16.086 -5.417 1.00 0.00 C ATOM 475 O VAL A 31 5.932 -16.768 -4.674 1.00 0.00 O ATOM 476 CB VAL A 31 6.929 -14.166 -5.288 1.00 0.00 C ATOM 477 CG1 VAL A 31 8.220 -15.005 -5.366 1.00 0.00 C ATOM 478 CG2 VAL A 31 7.274 -12.742 -5.762 1.00 0.00 C ATOM 0 H VAL A 31 4.676 -13.068 -5.710 1.00 0.00 H new ATOM 0 HA VAL A 31 6.181 -15.124 -7.058 1.00 0.00 H new ATOM 0 HB VAL A 31 6.561 -14.128 -4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.005 -14.520 -4.785 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.032 -16.000 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.537 -15.089 -6.405 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.090 -12.345 -5.158 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.578 -12.770 -6.808 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.399 -12.101 -5.655 1.00 0.00 H new ATOM 488 N THR A 32 3.953 -16.432 -5.642 1.00 0.00 N ATOM 489 CA THR A 32 3.288 -17.592 -5.035 1.00 0.00 C ATOM 490 C THR A 32 1.970 -17.919 -5.753 1.00 0.00 C ATOM 491 O THR A 32 1.029 -17.129 -5.759 1.00 0.00 O ATOM 492 CB THR A 32 3.101 -17.391 -3.517 1.00 0.00 C ATOM 493 OG1 THR A 32 2.362 -18.462 -2.973 1.00 0.00 O ATOM 494 CG2 THR A 32 2.448 -16.070 -3.100 1.00 0.00 C ATOM 0 H THR A 32 3.343 -15.902 -6.265 1.00 0.00 H new ATOM 0 HA THR A 32 3.934 -18.461 -5.162 1.00 0.00 H new ATOM 0 HB THR A 32 4.115 -17.358 -3.118 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.250 -18.326 -2.009 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.365 -16.032 -2.014 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.059 -15.237 -3.446 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.454 -16.000 -3.543 1.00 0.00 H new ATOM 502 N ARG A 33 1.907 -19.093 -6.398 1.00 0.00 N ATOM 503 CA ARG A 33 0.718 -19.612 -7.092 1.00 0.00 C ATOM 504 C ARG A 33 0.454 -21.073 -6.696 1.00 0.00 C ATOM 505 O ARG A 33 0.558 -21.992 -7.507 1.00 0.00 O ATOM 506 CB ARG A 33 0.851 -19.423 -8.613 1.00 0.00 C ATOM 507 CG ARG A 33 0.712 -17.957 -9.058 1.00 0.00 C ATOM 508 CD ARG A 33 0.838 -17.828 -10.584 1.00 0.00 C ATOM 509 NE ARG A 33 -0.200 -18.603 -11.297 1.00 0.00 N ATOM 510 CZ ARG A 33 -1.466 -18.264 -11.506 1.00 0.00 C ATOM 511 NH1 ARG A 33 -1.926 -17.084 -11.156 1.00 0.00 N ATOM 512 NH2 ARG A 33 -2.289 -19.118 -12.070 1.00 0.00 N ATOM 0 H ARG A 33 2.705 -19.726 -6.453 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.154 -19.038 -6.779 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.820 -19.803 -8.936 1.00 0.00 H new ATOM 0 HB3 ARG A 33 0.090 -20.021 -9.114 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -0.253 -17.566 -8.735 1.00 0.00 H new ATOM 0 HG3 ARG A 33 1.479 -17.353 -8.574 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.763 -16.778 -10.866 1.00 0.00 H new ATOM 0 HD3 ARG A 33 1.824 -18.172 -10.896 1.00 0.00 H new ATOM 0 HE ARG A 33 0.092 -19.505 -11.673 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.306 -16.406 -10.713 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.903 -16.846 -11.327 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.955 -20.041 -12.347 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.262 -18.858 -12.231 1.00 0.00 H new ATOM 526 N GLN A 34 0.138 -21.270 -5.414 1.00 0.00 N ATOM 527 CA GLN A 34 -0.298 -22.558 -4.865 1.00 0.00 C ATOM 528 C GLN A 34 -1.638 -23.024 -5.463 1.00 0.00 C ATOM 529 O GLN A 34 -2.421 -22.243 -6.007 1.00 0.00 O ATOM 530 CB GLN A 34 -0.413 -22.440 -3.333 1.00 0.00 C ATOM 531 CG GLN A 34 0.927 -22.665 -2.609 1.00 0.00 C ATOM 532 CD GLN A 34 1.310 -24.141 -2.487 1.00 0.00 C ATOM 533 OE1 GLN A 34 2.360 -24.567 -2.934 1.00 0.00 O ATOM 534 NE2 GLN A 34 0.484 -24.968 -1.870 1.00 0.00 N ATOM 0 H GLN A 34 0.178 -20.527 -4.716 1.00 0.00 H new ATOM 0 HA GLN A 34 0.447 -23.308 -5.131 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -0.796 -21.452 -3.078 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.141 -23.167 -2.972 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.715 -22.136 -3.145 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.871 -22.228 -1.612 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.398 -24.621 -1.492 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.728 -25.953 -1.772 1.00 0.00 H new ATOM 543 N ARG A 35 -1.920 -24.328 -5.329 1.00 0.00 N ATOM 544 CA ARG A 35 -3.110 -24.984 -5.886 1.00 0.00 C ATOM 545 C ARG A 35 -4.335 -24.817 -4.979 1.00 0.00 C ATOM 546 O ARG A 35 -4.710 -25.727 -4.238 1.00 0.00 O ATOM 547 CB ARG A 35 -2.805 -26.464 -6.178 1.00 0.00 C ATOM 548 CG ARG A 35 -1.610 -26.684 -7.118 1.00 0.00 C ATOM 549 CD ARG A 35 -1.781 -25.971 -8.468 1.00 0.00 C ATOM 550 NE ARG A 35 -0.697 -26.318 -9.401 1.00 0.00 N ATOM 551 CZ ARG A 35 -0.564 -27.452 -10.078 1.00 0.00 C ATOM 552 NH1 ARG A 35 -1.446 -28.424 -9.989 1.00 0.00 N ATOM 553 NH2 ARG A 35 0.479 -27.629 -10.852 1.00 0.00 N ATOM 0 H ARG A 35 -1.313 -24.970 -4.819 1.00 0.00 H new ATOM 0 HA ARG A 35 -3.362 -24.495 -6.827 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.612 -26.977 -5.236 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.689 -26.926 -6.617 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.701 -26.325 -6.634 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -1.479 -27.752 -7.290 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.741 -26.244 -8.906 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.797 -24.892 -8.312 1.00 0.00 H new ATOM 0 HE ARG A 35 0.027 -25.614 -9.542 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -2.262 -28.319 -9.386 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.314 -29.283 -10.523 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.185 -26.897 -10.932 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.585 -28.499 -11.374 1.00 0.00 H new ATOM 567 N TYR A 36 -4.962 -23.643 -5.054 1.00 0.00 N ATOM 568 CA TYR A 36 -6.176 -23.320 -4.306 1.00 0.00 C ATOM 569 C TYR A 36 -7.435 -23.892 -4.975 1.00 0.00 C ATOM 570 O TYR A 36 -7.944 -23.387 -5.968 1.00 0.00 O ATOM 571 CB TYR A 36 -6.276 -21.805 -4.085 1.00 0.00 C ATOM 572 CG TYR A 36 -5.277 -21.282 -3.067 1.00 0.00 C ATOM 573 CD1 TYR A 36 -5.389 -21.680 -1.720 1.00 0.00 C ATOM 574 CD2 TYR A 36 -4.244 -20.405 -3.453 1.00 0.00 C ATOM 575 CE1 TYR A 36 -4.482 -21.202 -0.757 1.00 0.00 C ATOM 576 CE2 TYR A 36 -3.337 -19.916 -2.492 1.00 0.00 C ATOM 577 CZ TYR A 36 -3.458 -20.310 -1.140 1.00 0.00 C ATOM 578 OH TYR A 36 -2.604 -19.820 -0.200 1.00 0.00 O ATOM 0 H TYR A 36 -4.635 -22.879 -5.645 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.110 -23.799 -3.329 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.118 -21.294 -5.035 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.285 -21.558 -3.754 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.177 -22.357 -1.425 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.147 -20.107 -4.487 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.569 -21.517 0.272 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.549 -19.240 -2.789 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.957 -19.220 -0.627 1.00 0.00 H new HETATM 588 N NH2 A 37 -7.974 -24.972 -4.436 1.00 0.00 N TER 591 NH2 A 37