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+ -107:sc= 0.149 (180deg=0) 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= 0.085 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 -140:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.15 X(o=-0.15,f=-0.36) 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) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 18.538 -0.553 8.420 1.00 0.00 N ATOM 2 CA TYR A 1 18.052 -1.737 7.684 1.00 0.00 C ATOM 3 C TYR A 1 16.561 -1.580 7.397 1.00 0.00 C ATOM 4 O TYR A 1 15.905 -0.865 8.154 1.00 0.00 O ATOM 5 CB TYR A 1 18.315 -3.029 8.472 1.00 0.00 C ATOM 6 CG TYR A 1 19.664 -3.648 8.158 1.00 0.00 C ATOM 7 CD1 TYR A 1 20.841 -3.120 8.717 1.00 0.00 C ATOM 8 CD2 TYR A 1 19.732 -4.761 7.292 1.00 0.00 C ATOM 9 CE1 TYR A 1 22.091 -3.699 8.417 1.00 0.00 C ATOM 10 CE2 TYR A 1 20.979 -5.347 6.999 1.00 0.00 C ATOM 11 CZ TYR A 1 22.156 -4.825 7.562 1.00 0.00 C ATOM 12 OH TYR A 1 23.350 -5.428 7.311 1.00 0.00 O ATOM 0 H1 TYR A 1 19.117 0.036 7.787 1.00 0.00 H new ATOM 0 H2 TYR A 1 17.727 0.000 8.762 1.00 0.00 H new ATOM 0 H3 TYR A 1 19.114 -0.860 9.230 1.00 0.00 H new ATOM 0 HA TYR A 1 18.597 -1.810 6.743 1.00 0.00 H new ATOM 0 HB2 TYR A 1 18.259 -2.815 9.539 1.00 0.00 H new ATOM 0 HB3 TYR A 1 17.529 -3.751 8.249 1.00 0.00 H new ATOM 0 HD1 TYR A 1 20.787 -2.268 9.378 1.00 0.00 H new ATOM 0 HD2 TYR A 1 18.830 -5.162 6.855 1.00 0.00 H new ATOM 0 HE1 TYR A 1 22.995 -3.285 8.838 1.00 0.00 H new ATOM 0 HE2 TYR A 1 21.031 -6.201 6.339 1.00 0.00 H new ATOM 0 HH TYR A 1 23.213 -6.186 6.705 1.00 0.00 H new ATOM 24 N PRO A 2 16.025 -2.221 6.337 1.00 0.00 N ATOM 25 CA PRO A 2 14.598 -2.236 6.071 1.00 0.00 C ATOM 26 C PRO A 2 13.859 -3.091 7.108 1.00 0.00 C ATOM 27 O PRO A 2 14.424 -4.020 7.683 1.00 0.00 O ATOM 28 CB PRO A 2 14.443 -2.811 4.657 1.00 0.00 C ATOM 29 CG PRO A 2 15.712 -3.638 4.428 1.00 0.00 C ATOM 30 CD PRO A 2 16.728 -3.142 5.457 1.00 0.00 C ATOM 0 HA PRO A 2 14.165 -1.238 6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 2 13.549 -3.429 4.577 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.349 -2.017 3.916 1.00 0.00 H new ATOM 0 HG2 PRO A 2 15.513 -4.702 4.557 1.00 0.00 H new ATOM 0 HG3 PRO A 2 16.087 -3.505 3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 2 17.143 -3.976 6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 2 17.564 -2.644 4.965 1.00 0.00 H new ATOM 38 N ALA A 3 12.586 -2.762 7.328 1.00 0.00 N ATOM 39 CA ALA A 3 11.662 -3.412 8.252 1.00 0.00 C ATOM 40 C ALA A 3 10.312 -2.690 8.186 1.00 0.00 C ATOM 41 O ALA A 3 10.251 -1.558 7.700 1.00 0.00 O ATOM 42 CB ALA A 3 12.225 -3.377 9.685 1.00 0.00 C ATOM 0 H ALA A 3 12.147 -1.985 6.834 1.00 0.00 H new ATOM 0 HA ALA A 3 11.531 -4.457 7.969 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.525 -3.865 10.363 1.00 0.00 H new ATOM 0 HB2 ALA A 3 13.181 -3.899 9.713 1.00 0.00 H new ATOM 0 HB3 ALA A 3 12.368 -2.342 9.995 1.00 0.00 H new ATOM 48 N LYS A 4 9.270 -3.327 8.741 1.00 0.00 N ATOM 49 CA LYS A 4 7.870 -2.873 8.724 1.00 0.00 C ATOM 50 C LYS A 4 7.297 -2.690 7.296 1.00 0.00 C ATOM 51 O LYS A 4 8.041 -2.744 6.312 1.00 0.00 O ATOM 52 CB LYS A 4 7.723 -1.622 9.624 1.00 0.00 C ATOM 53 CG LYS A 4 7.648 -1.994 11.115 1.00 0.00 C ATOM 54 CD LYS A 4 9.011 -1.899 11.835 1.00 0.00 C ATOM 55 CE LYS A 4 9.011 -0.821 12.925 1.00 0.00 C ATOM 56 NZ LYS A 4 8.290 -1.272 14.141 1.00 0.00 N ATOM 0 H LYS A 4 9.384 -4.212 9.236 1.00 0.00 H new ATOM 0 HA LYS A 4 7.248 -3.663 9.144 1.00 0.00 H new ATOM 0 HB2 LYS A 4 8.568 -0.954 9.458 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.824 -1.074 9.341 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.935 -1.336 11.612 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.264 -3.010 11.211 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.254 -2.864 12.280 1.00 0.00 H new ATOM 0 HD3 LYS A 4 9.791 -1.678 11.107 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.038 -0.566 13.185 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.544 0.086 12.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.310 -0.518 14.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.303 -1.492 13.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.751 -2.123 14.522 1.00 0.00 H new ATOM 70 N PRO A 5 5.961 -2.557 7.152 1.00 0.00 N ATOM 71 CA PRO A 5 5.376 -2.265 5.860 1.00 0.00 C ATOM 72 C PRO A 5 5.707 -0.847 5.400 1.00 0.00 C ATOM 73 O PRO A 5 6.250 -0.036 6.150 1.00 0.00 O ATOM 74 CB PRO A 5 3.877 -2.526 5.996 1.00 0.00 C ATOM 75 CG PRO A 5 3.584 -2.563 7.491 1.00 0.00 C ATOM 76 CD PRO A 5 4.934 -2.653 8.182 1.00 0.00 C ATOM 0 HA PRO A 5 5.790 -2.903 5.079 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.300 -1.742 5.506 1.00 0.00 H new ATOM 0 HB3 PRO A 5 3.602 -3.468 5.522 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.044 -1.669 7.805 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.958 -3.419 7.745 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.046 -1.850 8.911 1.00 0.00 H new ATOM 0 HD3 PRO A 5 5.024 -3.593 8.727 1.00 0.00 H new ATOM 84 N GLU A 6 5.387 -0.560 4.140 1.00 0.00 N ATOM 85 CA GLU A 6 5.544 0.769 3.573 1.00 0.00 C ATOM 86 C GLU A 6 4.791 1.819 4.406 1.00 0.00 C ATOM 87 O GLU A 6 3.771 1.529 5.035 1.00 0.00 O ATOM 88 CB GLU A 6 5.087 0.773 2.125 1.00 0.00 C ATOM 89 CG GLU A 6 5.691 1.931 1.330 1.00 0.00 C ATOM 90 CD GLU A 6 6.104 1.531 -0.090 1.00 0.00 C ATOM 91 OE1 GLU A 6 5.214 1.114 -0.864 1.00 0.00 O ATOM 92 OE2 GLU A 6 7.311 1.653 -0.377 1.00 0.00 O ATOM 0 H GLU A 6 5.011 -1.247 3.486 1.00 0.00 H new ATOM 0 HA GLU A 6 6.600 1.038 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.365 -0.171 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.000 0.839 2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.967 2.744 1.276 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.562 2.314 1.862 1.00 0.00 H new ATOM 99 N ALA A 7 5.290 3.054 4.388 1.00 0.00 N ATOM 100 CA ALA A 7 4.750 4.133 5.195 1.00 0.00 C ATOM 101 C ALA A 7 4.791 5.439 4.397 1.00 0.00 C ATOM 102 O ALA A 7 5.608 5.565 3.473 1.00 0.00 O ATOM 103 CB ALA A 7 5.560 4.224 6.494 1.00 0.00 C ATOM 0 H ALA A 7 6.083 3.329 3.809 1.00 0.00 H new ATOM 0 HA ALA A 7 3.708 3.943 5.454 1.00 0.00 H new ATOM 0 HB1 ALA A 7 5.167 5.031 7.112 1.00 0.00 H new ATOM 0 HB2 ALA A 7 5.485 3.282 7.036 1.00 0.00 H new ATOM 0 HB3 ALA A 7 6.605 4.424 6.258 1.00 0.00 H new ATOM 109 N PRO A 8 3.893 6.393 4.688 1.00 0.00 N ATOM 110 CA PRO A 8 3.914 7.689 4.038 1.00 0.00 C ATOM 111 C PRO A 8 5.084 8.556 4.543 1.00 0.00 C ATOM 112 O PRO A 8 5.710 8.252 5.555 1.00 0.00 O ATOM 113 CB PRO A 8 2.543 8.287 4.340 1.00 0.00 C ATOM 114 CG PRO A 8 2.040 7.607 5.609 1.00 0.00 C ATOM 115 CD PRO A 8 2.852 6.318 5.704 1.00 0.00 C ATOM 0 HA PRO A 8 4.084 7.622 2.963 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.613 9.366 4.480 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.856 8.118 3.511 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.194 8.238 6.484 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.972 7.399 5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.289 6.210 6.697 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.215 5.449 5.540 1.00 0.00 H new ATOM 123 N GLY A 9 5.378 9.645 3.831 1.00 0.00 N ATOM 124 CA GLY A 9 6.439 10.585 4.190 1.00 0.00 C ATOM 125 C GLY A 9 6.265 11.895 3.434 1.00 0.00 C ATOM 126 O GLY A 9 5.660 11.873 2.366 1.00 0.00 O ATOM 0 H GLY A 9 4.880 9.901 2.979 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.420 10.772 5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 9 7.412 10.151 3.959 1.00 0.00 H new ATOM 130 N GLU A 10 6.790 12.999 3.966 1.00 0.00 N ATOM 131 CA GLU A 10 6.620 14.361 3.428 1.00 0.00 C ATOM 132 C GLU A 10 5.186 14.863 3.662 1.00 0.00 C ATOM 133 O GLU A 10 4.369 14.907 2.749 1.00 0.00 O ATOM 134 CB GLU A 10 7.069 14.449 1.949 1.00 0.00 C ATOM 135 CG GLU A 10 7.665 15.819 1.613 1.00 0.00 C ATOM 136 CD GLU A 10 7.606 16.139 0.115 1.00 0.00 C ATOM 137 OE1 GLU A 10 8.548 15.722 -0.594 1.00 0.00 O ATOM 138 OE2 GLU A 10 6.659 16.849 -0.304 1.00 0.00 O ATOM 0 H GLU A 10 7.364 12.976 4.809 1.00 0.00 H new ATOM 0 HA GLU A 10 7.279 15.036 3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.807 13.673 1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.216 14.255 1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.128 16.590 2.166 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.702 15.851 1.947 1.00 0.00 H new ATOM 145 N ASP A 11 4.842 15.160 4.923 1.00 0.00 N ATOM 146 CA ASP A 11 3.512 15.644 5.343 1.00 0.00 C ATOM 147 C ASP A 11 2.378 14.638 5.079 1.00 0.00 C ATOM 148 O ASP A 11 1.214 14.962 5.322 1.00 0.00 O ATOM 149 CB ASP A 11 3.213 17.039 4.742 1.00 0.00 C ATOM 150 CG ASP A 11 4.219 18.143 5.106 1.00 0.00 C ATOM 151 OD1 ASP A 11 5.433 17.964 4.868 1.00 0.00 O ATOM 152 OD2 ASP A 11 3.756 19.190 5.617 1.00 0.00 O ATOM 0 H ASP A 11 5.495 15.069 5.701 1.00 0.00 H new ATOM 0 HA ASP A 11 3.550 15.747 6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.176 16.948 3.656 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.222 17.352 5.069 1.00 0.00 H new ATOM 157 N ALA A 12 2.727 13.421 4.620 1.00 0.00 N ATOM 158 CA ALA A 12 1.864 12.362 4.105 1.00 0.00 C ATOM 159 C ALA A 12 0.755 12.927 3.211 1.00 0.00 C ATOM 160 O ALA A 12 -0.375 13.133 3.666 1.00 0.00 O ATOM 161 CB ALA A 12 1.345 11.526 5.282 1.00 0.00 C ATOM 0 H ALA A 12 3.707 13.138 4.602 1.00 0.00 H new ATOM 0 HA ALA A 12 2.434 11.697 3.456 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.699 10.732 4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.188 11.087 5.816 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.779 12.165 5.960 1.00 0.00 H new ATOM 167 N SER A 13 1.080 13.188 1.934 1.00 0.00 N ATOM 168 CA SER A 13 0.160 13.831 0.999 1.00 0.00 C ATOM 169 C SER A 13 -1.160 13.041 0.837 1.00 0.00 C ATOM 170 O SER A 13 -1.237 11.865 1.214 1.00 0.00 O ATOM 171 CB SER A 13 0.871 14.086 -0.343 1.00 0.00 C ATOM 172 OG SER A 13 0.449 13.183 -1.356 1.00 0.00 O ATOM 0 H SER A 13 1.987 12.957 1.528 1.00 0.00 H new ATOM 0 HA SER A 13 -0.133 14.796 1.412 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.676 15.109 -0.666 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.948 13.995 -0.204 1.00 0.00 H new ATOM 0 HG SER A 13 0.924 13.382 -2.190 1.00 0.00 H new ATOM 178 N PRO A 14 -2.205 13.626 0.223 1.00 0.00 N ATOM 179 CA PRO A 14 -3.453 12.896 0.004 1.00 0.00 C ATOM 180 C PRO A 14 -3.262 11.711 -0.954 1.00 0.00 C ATOM 181 O PRO A 14 -3.995 10.727 -0.862 1.00 0.00 O ATOM 182 CB PRO A 14 -4.454 13.927 -0.518 1.00 0.00 C ATOM 183 CG PRO A 14 -3.605 15.071 -1.082 1.00 0.00 C ATOM 184 CD PRO A 14 -2.221 14.913 -0.459 1.00 0.00 C ATOM 0 HA PRO A 14 -3.818 12.442 0.925 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.095 13.497 -1.288 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.107 14.279 0.280 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.552 15.018 -2.169 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.038 16.039 -0.831 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.447 14.953 -1.225 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -2.019 15.723 0.242 1.00 0.00 H new ATOM 192 N GLU A 15 -2.237 11.758 -1.817 1.00 0.00 N ATOM 193 CA GLU A 15 -1.878 10.650 -2.705 1.00 0.00 C ATOM 194 C GLU A 15 -1.129 9.536 -1.960 1.00 0.00 C ATOM 195 O GLU A 15 -1.214 8.369 -2.336 1.00 0.00 O ATOM 196 CB GLU A 15 -1.013 11.173 -3.870 1.00 0.00 C ATOM 197 CG GLU A 15 -1.577 10.780 -5.243 1.00 0.00 C ATOM 198 CD GLU A 15 -2.057 11.998 -6.043 1.00 0.00 C ATOM 199 OE1 GLU A 15 -2.921 12.735 -5.515 1.00 0.00 O ATOM 200 OE2 GLU A 15 -1.558 12.169 -7.176 1.00 0.00 O ATOM 0 H GLU A 15 -1.632 12.573 -1.917 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.803 10.224 -3.092 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.942 12.259 -3.807 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.001 10.781 -3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.810 10.253 -5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.407 10.086 -5.108 1.00 0.00 H new ATOM 207 N GLU A 16 -0.417 9.873 -0.870 1.00 0.00 N ATOM 208 CA GLU A 16 0.247 8.884 -0.027 1.00 0.00 C ATOM 209 C GLU A 16 -0.762 7.953 0.643 1.00 0.00 C ATOM 210 O GLU A 16 -0.479 6.775 0.833 1.00 0.00 O ATOM 211 CB GLU A 16 1.089 9.566 1.056 1.00 0.00 C ATOM 212 CG GLU A 16 2.583 9.298 0.898 1.00 0.00 C ATOM 213 CD GLU A 16 3.277 10.451 0.182 1.00 0.00 C ATOM 214 OE1 GLU A 16 3.142 11.587 0.695 1.00 0.00 O ATOM 215 OE2 GLU A 16 3.907 10.158 -0.858 1.00 0.00 O ATOM 0 H GLU A 16 -0.291 10.835 -0.557 1.00 0.00 H new ATOM 0 HA GLU A 16 0.895 8.296 -0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.912 10.641 1.025 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.763 9.218 2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.035 9.151 1.879 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.732 8.375 0.337 1.00 0.00 H new ATOM 222 N LEU A 17 -1.967 8.431 0.964 1.00 0.00 N ATOM 223 CA LEU A 17 -2.994 7.564 1.534 1.00 0.00 C ATOM 224 C LEU A 17 -3.312 6.381 0.608 1.00 0.00 C ATOM 225 O LEU A 17 -3.413 5.234 1.049 1.00 0.00 O ATOM 226 CB LEU A 17 -4.250 8.394 1.845 1.00 0.00 C ATOM 227 CG LEU A 17 -4.861 7.951 3.192 1.00 0.00 C ATOM 228 CD1 LEU A 17 -4.535 8.942 4.321 1.00 0.00 C ATOM 229 CD2 LEU A 17 -6.373 7.743 3.059 1.00 0.00 C ATOM 0 H LEU A 17 -2.251 9.403 0.840 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.617 7.137 2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.995 9.453 1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.983 8.272 1.047 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.407 6.997 3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.983 8.594 5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.454 9.012 4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.936 9.924 4.070 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.783 7.431 4.019 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.843 8.677 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.570 6.973 2.313 1.00 0.00 H new ATOM 241 N SER A 18 -3.396 6.640 -0.706 1.00 0.00 N ATOM 242 CA SER A 18 -3.583 5.609 -1.731 1.00 0.00 C ATOM 243 C SER A 18 -2.380 4.663 -1.826 1.00 0.00 C ATOM 244 O SER A 18 -2.560 3.501 -2.190 1.00 0.00 O ATOM 245 CB SER A 18 -3.850 6.252 -3.095 1.00 0.00 C ATOM 246 OG SER A 18 -4.982 7.093 -3.009 1.00 0.00 O ATOM 0 H SER A 18 -3.335 7.584 -1.088 1.00 0.00 H new ATOM 0 HA SER A 18 -4.448 5.016 -1.434 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.981 6.827 -3.414 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.014 5.480 -3.846 1.00 0.00 H new ATOM 0 HG SER A 18 -5.151 7.505 -3.882 1.00 0.00 H new ATOM 252 N ARG A 19 -1.174 5.108 -1.439 1.00 0.00 N ATOM 253 CA ARG A 19 0.024 4.266 -1.354 1.00 0.00 C ATOM 254 C ARG A 19 -0.095 3.237 -0.233 1.00 0.00 C ATOM 255 O ARG A 19 0.390 2.122 -0.379 1.00 0.00 O ATOM 256 CB ARG A 19 1.275 5.156 -1.216 1.00 0.00 C ATOM 257 CG ARG A 19 1.907 5.286 0.195 1.00 0.00 C ATOM 258 CD ARG A 19 3.089 4.350 0.440 1.00 0.00 C ATOM 259 NE ARG A 19 4.241 5.097 0.969 1.00 0.00 N ATOM 260 CZ ARG A 19 4.919 6.052 0.355 1.00 0.00 C ATOM 261 NH1 ARG A 19 4.624 6.477 -0.848 1.00 0.00 N ATOM 262 NH2 ARG A 19 5.910 6.613 0.987 1.00 0.00 N ATOM 0 H ARG A 19 -1.004 6.078 -1.173 1.00 0.00 H new ATOM 0 HA ARG A 19 0.124 3.692 -2.275 1.00 0.00 H new ATOM 0 HB2 ARG A 19 2.038 4.772 -1.893 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.016 6.157 -1.563 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.237 6.315 0.340 1.00 0.00 H new ATOM 0 HG3 ARG A 19 1.140 5.088 0.944 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.801 3.569 1.144 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.366 3.855 -0.490 1.00 0.00 H new ATOM 0 HE ARG A 19 4.550 4.852 1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.839 6.068 -1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 19 5.179 7.217 -1.278 1.00 0.00 H new ATOM 0 HH21 ARG A 19 6.147 6.313 1.933 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.449 7.352 0.536 1.00 0.00 H new ATOM 276 N TYR A 20 -0.739 3.610 0.879 1.00 0.00 N ATOM 277 CA TYR A 20 -0.863 2.781 2.073 1.00 0.00 C ATOM 278 C TYR A 20 -1.799 1.614 1.794 1.00 0.00 C ATOM 279 O TYR A 20 -1.438 0.453 1.981 1.00 0.00 O ATOM 280 CB TYR A 20 -1.353 3.662 3.237 1.00 0.00 C ATOM 281 CG TYR A 20 -1.502 2.949 4.564 1.00 0.00 C ATOM 282 CD1 TYR A 20 -0.396 2.295 5.142 1.00 0.00 C ATOM 283 CD2 TYR A 20 -2.743 2.961 5.235 1.00 0.00 C ATOM 284 CE1 TYR A 20 -0.521 1.660 6.393 1.00 0.00 C ATOM 285 CE2 TYR A 20 -2.871 2.328 6.488 1.00 0.00 C ATOM 286 CZ TYR A 20 -1.766 1.678 7.067 1.00 0.00 C ATOM 287 OH TYR A 20 -1.892 1.109 8.296 1.00 0.00 O ATOM 0 H TYR A 20 -1.197 4.517 0.971 1.00 0.00 H new ATOM 0 HA TYR A 20 0.101 2.356 2.352 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.656 4.490 3.364 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.316 4.094 2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.551 2.281 4.624 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.594 3.455 4.789 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.329 1.162 6.836 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.819 2.342 7.005 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.814 1.214 8.612 1.00 0.00 H new ATOM 297 N TYR A 21 -2.980 1.935 1.250 1.00 0.00 N ATOM 298 CA TYR A 21 -3.962 0.964 0.795 1.00 0.00 C ATOM 299 C TYR A 21 -3.454 0.093 -0.364 1.00 0.00 C ATOM 300 O TYR A 21 -3.698 -1.112 -0.372 1.00 0.00 O ATOM 301 CB TYR A 21 -5.248 1.699 0.391 1.00 0.00 C ATOM 302 CG TYR A 21 -6.191 1.955 1.550 1.00 0.00 C ATOM 303 CD1 TYR A 21 -7.098 0.954 1.931 1.00 0.00 C ATOM 304 CD2 TYR A 21 -6.170 3.183 2.240 1.00 0.00 C ATOM 305 CE1 TYR A 21 -8.004 1.172 2.983 1.00 0.00 C ATOM 306 CE2 TYR A 21 -7.083 3.419 3.289 1.00 0.00 C ATOM 307 CZ TYR A 21 -8.004 2.413 3.657 1.00 0.00 C ATOM 308 OH TYR A 21 -8.928 2.633 4.629 1.00 0.00 O ATOM 0 H TYR A 21 -3.278 2.901 1.115 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.160 0.283 1.623 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -4.983 2.651 -0.068 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.768 1.114 -0.367 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.100 0.007 1.411 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.455 3.944 1.966 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -8.696 0.395 3.274 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.078 4.366 3.809 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.803 3.530 5.002 1.00 0.00 H new ATOM 318 N ALA A 22 -2.724 0.668 -1.326 1.00 0.00 N ATOM 319 CA ALA A 22 -2.112 -0.113 -2.396 1.00 0.00 C ATOM 320 C ALA A 22 -1.040 -1.065 -1.855 1.00 0.00 C ATOM 321 O ALA A 22 -1.018 -2.246 -2.204 1.00 0.00 O ATOM 322 CB ALA A 22 -1.551 0.837 -3.455 1.00 0.00 C ATOM 0 H ALA A 22 -2.545 1.671 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.872 -0.742 -2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.093 0.258 -4.257 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.358 1.445 -3.863 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.802 1.486 -3.002 1.00 0.00 H new ATOM 328 N SER A 23 -0.167 -0.569 -0.955 1.00 0.00 N ATOM 329 CA SER A 23 0.857 -1.405 -0.339 1.00 0.00 C ATOM 330 C SER A 23 0.240 -2.532 0.470 1.00 0.00 C ATOM 331 O SER A 23 0.722 -3.643 0.327 1.00 0.00 O ATOM 332 CB SER A 23 1.832 -0.634 0.546 1.00 0.00 C ATOM 333 OG SER A 23 3.025 -1.388 0.621 1.00 0.00 O ATOM 0 H SER A 23 -0.159 0.403 -0.646 1.00 0.00 H new ATOM 0 HA SER A 23 1.426 -1.812 -1.175 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.028 0.354 0.130 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.411 -0.483 1.540 1.00 0.00 H new ATOM 0 HG SER A 23 3.378 -1.351 1.534 1.00 0.00 H new ATOM 339 N LEU A 24 -0.839 -2.304 1.239 1.00 0.00 N ATOM 340 CA LEU A 24 -1.517 -3.348 2.024 1.00 0.00 C ATOM 341 C LEU A 24 -1.780 -4.613 1.181 1.00 0.00 C ATOM 342 O LEU A 24 -1.505 -5.734 1.616 1.00 0.00 O ATOM 343 CB LEU A 24 -2.782 -2.759 2.707 1.00 0.00 C ATOM 344 CG LEU A 24 -4.173 -3.104 2.119 1.00 0.00 C ATOM 345 CD1 LEU A 24 -4.671 -4.494 2.548 1.00 0.00 C ATOM 346 CD2 LEU A 24 -5.227 -2.054 2.494 1.00 0.00 C ATOM 0 H LEU A 24 -1.267 -1.383 1.333 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.860 -3.685 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.775 -3.079 3.749 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -2.683 -1.674 2.707 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.038 -3.108 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.650 -4.682 2.107 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.967 -5.254 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.749 -4.533 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.188 -2.333 2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.318 -2.001 3.579 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.925 -1.081 2.108 1.00 0.00 H new ATOM 358 N ARG A 25 -2.270 -4.424 -0.050 1.00 0.00 N ATOM 359 CA ARG A 25 -2.540 -5.500 -1.014 1.00 0.00 C ATOM 360 C ARG A 25 -1.253 -6.099 -1.567 1.00 0.00 C ATOM 361 O ARG A 25 -1.127 -7.321 -1.647 1.00 0.00 O ATOM 362 CB ARG A 25 -3.407 -4.972 -2.166 1.00 0.00 C ATOM 363 CG ARG A 25 -4.910 -5.084 -1.876 1.00 0.00 C ATOM 364 CD ARG A 25 -5.658 -5.584 -3.129 1.00 0.00 C ATOM 365 NE ARG A 25 -5.496 -7.041 -3.303 1.00 0.00 N ATOM 366 CZ ARG A 25 -6.253 -7.989 -2.764 1.00 0.00 C ATOM 367 NH1 ARG A 25 -7.259 -7.705 -1.966 1.00 0.00 N ATOM 368 NH2 ARG A 25 -6.011 -9.257 -3.010 1.00 0.00 N ATOM 0 H ARG A 25 -2.495 -3.498 -0.413 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.076 -6.289 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.155 -3.929 -2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.174 -5.527 -3.075 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.078 -5.770 -1.046 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.303 -4.114 -1.572 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.717 -5.341 -3.044 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.282 -5.066 -4.011 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.726 -7.350 -3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -7.476 -6.733 -1.745 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.822 -8.457 -1.568 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.236 -9.519 -3.619 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.598 -9.979 -2.592 1.00 0.00 H new ATOM 382 N HIS A 26 -0.289 -5.248 -1.932 1.00 0.00 N ATOM 383 CA HIS A 26 1.022 -5.709 -2.375 1.00 0.00 C ATOM 384 C HIS A 26 1.766 -6.500 -1.272 1.00 0.00 C ATOM 385 O HIS A 26 2.510 -7.429 -1.574 1.00 0.00 O ATOM 386 CB HIS A 26 1.840 -4.509 -2.900 1.00 0.00 C ATOM 387 CG HIS A 26 2.656 -4.852 -4.123 1.00 0.00 C ATOM 388 ND1 HIS A 26 2.224 -5.616 -5.188 1.00 0.00 N ATOM 389 CD2 HIS A 26 3.929 -4.442 -4.406 1.00 0.00 C ATOM 390 CE1 HIS A 26 3.228 -5.684 -6.076 1.00 0.00 C ATOM 391 NE2 HIS A 26 4.288 -4.984 -5.642 1.00 0.00 N ATOM 0 H HIS A 26 -0.397 -4.234 -1.928 1.00 0.00 H new ATOM 0 HA HIS A 26 0.887 -6.415 -3.195 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.163 -3.689 -3.138 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.505 -4.155 -2.112 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.547 -3.811 -3.784 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.189 -6.226 -7.009 1.00 0.00 H new ATOM 0 HE2 HIS A 26 5.181 -4.870 -6.121 1.00 0.00 H new ATOM 398 N TYR A 27 1.479 -6.196 -0.001 1.00 0.00 N ATOM 399 CA TYR A 27 1.958 -6.879 1.194 1.00 0.00 C ATOM 400 C TYR A 27 1.308 -8.259 1.348 1.00 0.00 C ATOM 401 O TYR A 27 2.007 -9.238 1.604 1.00 0.00 O ATOM 402 CB TYR A 27 1.688 -6.017 2.439 1.00 0.00 C ATOM 403 CG TYR A 27 2.893 -5.891 3.334 1.00 0.00 C ATOM 404 CD1 TYR A 27 3.974 -5.082 2.934 1.00 0.00 C ATOM 405 CD2 TYR A 27 2.942 -6.585 4.557 1.00 0.00 C ATOM 406 CE1 TYR A 27 5.128 -4.996 3.746 1.00 0.00 C ATOM 407 CE2 TYR A 27 4.065 -6.466 5.387 1.00 0.00 C ATOM 408 CZ TYR A 27 5.165 -5.686 4.982 1.00 0.00 C ATOM 409 OH TYR A 27 6.251 -5.630 5.794 1.00 0.00 O ATOM 0 H TYR A 27 0.865 -5.414 0.229 1.00 0.00 H new ATOM 0 HA TYR A 27 3.033 -7.028 1.090 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.369 -5.023 2.125 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.864 -6.452 3.005 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.922 -4.528 2.008 1.00 0.00 H new ATOM 0 HD2 TYR A 27 2.114 -7.210 4.856 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.976 -4.408 3.426 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.087 -6.974 6.340 1.00 0.00 H new ATOM 0 HH TYR A 27 6.087 -6.167 6.597 1.00 0.00 H new ATOM 419 N LEU A 28 -0.007 -8.362 1.148 1.00 0.00 N ATOM 420 CA LEU A 28 -0.721 -9.637 1.151 1.00 0.00 C ATOM 421 C LEU A 28 -0.101 -10.638 0.148 1.00 0.00 C ATOM 422 O LEU A 28 0.037 -11.817 0.468 1.00 0.00 O ATOM 423 CB LEU A 28 -2.228 -9.354 0.910 1.00 0.00 C ATOM 424 CG LEU A 28 -3.008 -10.454 0.165 1.00 0.00 C ATOM 425 CD1 LEU A 28 -3.230 -11.708 1.020 1.00 0.00 C ATOM 426 CD2 LEU A 28 -4.349 -9.906 -0.317 1.00 0.00 C ATOM 0 H LEU A 28 -0.609 -7.557 0.978 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.623 -10.127 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.706 -9.187 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.318 -8.426 0.345 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.400 -10.755 -0.688 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.784 -12.448 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.266 -12.124 1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.798 -11.444 1.912 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.895 -10.690 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.933 -9.569 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.178 -9.068 -0.992 1.00 0.00 H new ATOM 438 N ASN A 29 0.328 -10.161 -1.028 1.00 0.00 N ATOM 439 CA ASN A 29 1.004 -11.003 -2.023 1.00 0.00 C ATOM 440 C ASN A 29 2.480 -11.295 -1.671 1.00 0.00 C ATOM 441 O ASN A 29 3.080 -12.210 -2.227 1.00 0.00 O ATOM 442 CB ASN A 29 0.873 -10.353 -3.407 1.00 0.00 C ATOM 443 CG ASN A 29 1.009 -11.384 -4.522 1.00 0.00 C ATOM 444 OD1 ASN A 29 2.037 -11.528 -5.160 1.00 0.00 O ATOM 445 ND2 ASN A 29 -0.051 -12.120 -4.799 1.00 0.00 N ATOM 0 H ASN A 29 0.217 -9.188 -1.315 1.00 0.00 H new ATOM 0 HA ASN A 29 0.511 -11.975 -2.027 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.093 -9.855 -3.486 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.638 -9.586 -3.524 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.011 -12.811 -5.548 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.911 -11.998 -4.264 1.00 0.00 H new ATOM 452 N LEU A 30 3.055 -10.562 -0.713 1.00 0.00 N ATOM 453 CA LEU A 30 4.409 -10.759 -0.184 1.00 0.00 C ATOM 454 C LEU A 30 4.399 -11.821 0.923 1.00 0.00 C ATOM 455 O LEU A 30 5.280 -12.681 0.953 1.00 0.00 O ATOM 456 CB LEU A 30 4.953 -9.374 0.229 1.00 0.00 C ATOM 457 CG LEU A 30 6.087 -9.347 1.268 1.00 0.00 C ATOM 458 CD1 LEU A 30 7.268 -8.505 0.778 1.00 0.00 C ATOM 459 CD2 LEU A 30 5.612 -8.799 2.628 1.00 0.00 C ATOM 0 H LEU A 30 2.571 -9.783 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 30 5.094 -11.161 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.306 -8.868 -0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.122 -8.787 0.620 1.00 0.00 H new ATOM 0 HG LEU A 30 6.406 -10.381 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.053 -8.505 1.534 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.656 -8.927 -0.149 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.936 -7.482 0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.445 -8.798 3.331 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.243 -7.781 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.812 -9.430 3.015 1.00 0.00 H new ATOM 471 N VAL A 31 3.377 -11.829 1.793 1.00 0.00 N ATOM 472 CA VAL A 31 3.250 -12.817 2.882 1.00 0.00 C ATOM 473 C VAL A 31 2.866 -14.219 2.369 1.00 0.00 C ATOM 474 O VAL A 31 2.880 -15.188 3.120 1.00 0.00 O ATOM 475 CB VAL A 31 2.301 -12.328 4.014 1.00 0.00 C ATOM 476 CG1 VAL A 31 2.624 -13.046 5.337 1.00 0.00 C ATOM 477 CG2 VAL A 31 2.342 -10.803 4.252 1.00 0.00 C ATOM 0 H VAL A 31 2.614 -11.152 1.764 1.00 0.00 H new ATOM 0 HA VAL A 31 4.242 -12.912 3.323 1.00 0.00 H new ATOM 0 HB VAL A 31 1.295 -12.574 3.674 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.950 -12.691 6.117 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.496 -14.121 5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.654 -12.835 5.624 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.654 -10.542 5.056 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.353 -10.505 4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.048 -10.284 3.340 1.00 0.00 H new ATOM 487 N THR A 32 2.580 -14.357 1.062 1.00 0.00 N ATOM 488 CA THR A 32 2.163 -15.601 0.394 1.00 0.00 C ATOM 489 C THR A 32 3.223 -16.137 -0.592 1.00 0.00 C ATOM 490 O THR A 32 2.925 -16.895 -1.521 1.00 0.00 O ATOM 491 CB THR A 32 0.757 -15.397 -0.194 1.00 0.00 C ATOM 492 OG1 THR A 32 0.076 -16.629 -0.274 1.00 0.00 O ATOM 493 CG2 THR A 32 0.703 -14.724 -1.568 1.00 0.00 C ATOM 0 H THR A 32 2.636 -13.570 0.415 1.00 0.00 H new ATOM 0 HA THR A 32 2.092 -16.409 1.122 1.00 0.00 H new ATOM 0 HB THR A 32 0.276 -14.708 0.501 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.818 -16.485 -0.648 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.335 -14.630 -1.887 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.154 -13.734 -1.506 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.251 -15.328 -2.291 1.00 0.00 H new ATOM 501 N ARG A 33 4.492 -15.733 -0.395 1.00 0.00 N ATOM 502 CA ARG A 33 5.621 -16.076 -1.275 1.00 0.00 C ATOM 503 C ARG A 33 6.993 -16.049 -0.578 1.00 0.00 C ATOM 504 O ARG A 33 8.005 -15.727 -1.198 1.00 0.00 O ATOM 505 CB ARG A 33 5.578 -15.159 -2.518 1.00 0.00 C ATOM 506 CG ARG A 33 5.954 -15.914 -3.803 1.00 0.00 C ATOM 507 CD ARG A 33 4.742 -16.618 -4.436 1.00 0.00 C ATOM 508 NE ARG A 33 4.390 -17.877 -3.756 1.00 0.00 N ATOM 509 CZ ARG A 33 5.020 -19.038 -3.883 1.00 0.00 C ATOM 510 NH1 ARG A 33 6.091 -19.163 -4.635 1.00 0.00 N ATOM 511 NH2 ARG A 33 4.582 -20.099 -3.248 1.00 0.00 N ATOM 0 H ARG A 33 4.764 -15.148 0.395 1.00 0.00 H new ATOM 0 HA ARG A 33 5.502 -17.116 -1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.578 -14.738 -2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.262 -14.323 -2.375 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.383 -15.215 -4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.724 -16.652 -3.577 1.00 0.00 H new ATOM 0 HD2 ARG A 33 3.884 -15.946 -4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.955 -16.825 -5.485 1.00 0.00 H new ATOM 0 HE ARG A 33 3.586 -17.854 -3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.457 -18.355 -5.139 1.00 0.00 H new ATOM 0 HH12 ARG A 33 6.556 -20.068 -4.715 1.00 0.00 H new ATOM 0 HH21 ARG A 33 3.755 -20.033 -2.655 1.00 0.00 H new ATOM 0 HH22 ARG A 33 5.068 -20.990 -3.348 1.00 0.00 H new ATOM 525 N GLN A 34 7.031 -16.417 0.704 1.00 0.00 N ATOM 526 CA GLN A 34 8.244 -16.386 1.511 1.00 0.00 C ATOM 527 C GLN A 34 8.478 -17.727 2.210 1.00 0.00 C ATOM 528 O GLN A 34 7.530 -18.420 2.581 1.00 0.00 O ATOM 529 CB GLN A 34 8.171 -15.221 2.521 1.00 0.00 C ATOM 530 CG GLN A 34 9.510 -14.467 2.580 1.00 0.00 C ATOM 531 CD GLN A 34 9.605 -13.490 3.748 1.00 0.00 C ATOM 532 OE1 GLN A 34 8.627 -13.082 4.354 1.00 0.00 O ATOM 533 NE2 GLN A 34 10.810 -13.097 4.115 1.00 0.00 N ATOM 0 H GLN A 34 6.211 -16.747 1.212 1.00 0.00 H new ATOM 0 HA GLN A 34 9.099 -16.218 0.856 1.00 0.00 H new ATOM 0 HB2 GLN A 34 7.374 -14.535 2.235 1.00 0.00 H new ATOM 0 HB3 GLN A 34 7.921 -15.606 3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.322 -15.190 2.654 1.00 0.00 H new ATOM 0 HG3 GLN A 34 9.653 -13.921 1.647 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.631 -13.434 3.613 1.00 0.00 H new ATOM 0 HE22 GLN A 34 10.920 -12.456 4.901 1.00 0.00 H new ATOM 542 N ARG A 35 9.760 -18.080 2.397 1.00 0.00 N ATOM 543 CA ARG A 35 10.206 -19.308 3.058 1.00 0.00 C ATOM 544 C ARG A 35 11.583 -19.085 3.685 1.00 0.00 C ATOM 545 O ARG A 35 12.603 -19.213 3.015 1.00 0.00 O ATOM 546 CB ARG A 35 10.194 -20.495 2.062 1.00 0.00 C ATOM 547 CG ARG A 35 9.034 -21.467 2.350 1.00 0.00 C ATOM 548 CD ARG A 35 9.271 -22.253 3.650 1.00 0.00 C ATOM 549 NE ARG A 35 8.039 -22.393 4.450 1.00 0.00 N ATOM 550 CZ ARG A 35 7.945 -22.521 5.771 1.00 0.00 C ATOM 551 NH1 ARG A 35 9.009 -22.618 6.531 1.00 0.00 N ATOM 552 NH2 ARG A 35 6.764 -22.558 6.347 1.00 0.00 N ATOM 0 H ARG A 35 10.535 -17.498 2.081 1.00 0.00 H new ATOM 0 HA ARG A 35 9.516 -19.565 3.861 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.107 -20.115 1.044 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.141 -21.031 2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.100 -20.910 2.425 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.924 -22.162 1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.660 -23.242 3.409 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.032 -21.748 4.244 1.00 0.00 H new ATOM 0 HE ARG A 35 7.160 -22.391 3.932 1.00 0.00 H new ATOM 0 HH11 ARG A 35 9.939 -22.596 6.112 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.907 -22.715 7.541 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.918 -22.489 5.781 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.693 -22.656 7.360 1.00 0.00 H new ATOM 566 N TYR A 36 11.578 -18.736 4.971 1.00 0.00 N ATOM 567 CA TYR A 36 12.785 -18.550 5.778 1.00 0.00 C ATOM 568 C TYR A 36 13.664 -19.816 5.778 1.00 0.00 C ATOM 569 O TYR A 36 14.834 -19.798 5.429 1.00 0.00 O ATOM 570 CB TYR A 36 12.357 -18.152 7.201 1.00 0.00 C ATOM 571 CG TYR A 36 13.457 -17.515 8.027 1.00 0.00 C ATOM 572 CD1 TYR A 36 13.830 -16.182 7.768 1.00 0.00 C ATOM 573 CD2 TYR A 36 14.082 -18.235 9.065 1.00 0.00 C ATOM 574 CE1 TYR A 36 14.830 -15.565 8.543 1.00 0.00 C ATOM 575 CE2 TYR A 36 15.080 -17.622 9.844 1.00 0.00 C ATOM 576 CZ TYR A 36 15.453 -16.284 9.582 1.00 0.00 C ATOM 577 OH TYR A 36 16.414 -15.675 10.341 1.00 0.00 O ATOM 0 H TYR A 36 10.717 -18.571 5.493 1.00 0.00 H new ATOM 0 HA TYR A 36 13.397 -17.757 5.348 1.00 0.00 H new ATOM 0 HB2 TYR A 36 11.519 -17.458 7.135 1.00 0.00 H new ATOM 0 HB3 TYR A 36 11.995 -19.039 7.721 1.00 0.00 H new ATOM 0 HD1 TYR A 36 13.348 -15.632 6.973 1.00 0.00 H new ATOM 0 HD2 TYR A 36 13.795 -19.257 9.262 1.00 0.00 H new ATOM 0 HE1 TYR A 36 15.119 -14.544 8.342 1.00 0.00 H new ATOM 0 HE2 TYR A 36 15.560 -18.172 10.640 1.00 0.00 H new ATOM 0 HH TYR A 36 16.745 -16.304 11.016 1.00 0.00 H new HETATM 587 N NH2 A 37 13.099 -20.970 6.117 1.00 0.00 N TER 590 NH2 A 37