USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 280 hydrogens (0 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 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 75:sc= 0.955 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.405 K(o=0.4,f=-2.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N VAL A 2 18.271 8.357 -2.330 1.00 0.00 N ATOM 20 CA VAL A 2 18.933 8.775 -1.066 1.00 0.00 C ATOM 21 C VAL A 2 18.761 7.710 0.038 1.00 0.00 C ATOM 22 O VAL A 2 18.736 8.010 1.230 1.00 0.00 O ATOM 23 CB VAL A 2 18.462 10.180 -0.612 1.00 0.00 C ATOM 24 CG1 VAL A 2 18.859 11.256 -1.630 1.00 0.00 C ATOM 25 CG2 VAL A 2 16.946 10.270 -0.377 1.00 0.00 C ATOM 0 HA VAL A 2 20.002 8.855 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 2 18.964 10.353 0.340 1.00 0.00 H new ATOM 0 HG11 VAL A 2 18.514 12.230 -1.283 1.00 0.00 H new ATOM 0 HG12 VAL A 2 19.944 11.272 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL A 2 18.402 11.032 -2.594 1.00 0.00 H new ATOM 0 HG21 VAL A 2 16.686 11.280 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 2 16.420 10.032 -1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 2 16.655 9.562 0.399 1.00 0.00 H new ATOM 35 N PHE A 3 18.576 6.452 -0.383 1.00 0.00 N ATOM 36 CA PHE A 3 18.176 5.280 0.416 1.00 0.00 C ATOM 37 C PHE A 3 17.070 5.549 1.462 1.00 0.00 C ATOM 38 O PHE A 3 17.084 5.021 2.574 1.00 0.00 O ATOM 39 CB PHE A 3 19.421 4.551 0.952 1.00 0.00 C ATOM 40 CG PHE A 3 19.171 3.083 1.258 1.00 0.00 C ATOM 41 CD1 PHE A 3 19.221 2.605 2.583 1.00 0.00 C ATOM 42 CD2 PHE A 3 18.865 2.190 0.210 1.00 0.00 C ATOM 43 CE1 PHE A 3 18.956 1.249 2.856 1.00 0.00 C ATOM 44 CE2 PHE A 3 18.595 0.838 0.484 1.00 0.00 C ATOM 45 CZ PHE A 3 18.640 0.367 1.808 1.00 0.00 C ATOM 0 H PHE A 3 18.711 6.206 -1.364 1.00 0.00 H new ATOM 0 HA PHE A 3 17.668 4.589 -0.257 1.00 0.00 H new ATOM 0 HB2 PHE A 3 20.224 4.631 0.219 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.765 5.051 1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 3 19.463 3.280 3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.838 2.547 -0.809 1.00 0.00 H new ATOM 0 HE1 PHE A 3 18.996 0.886 3.872 1.00 0.00 H new ATOM 0 HE2 PHE A 3 18.353 0.161 -0.322 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.432 -0.671 2.020 1.00 0.00 H new ATOM 55 N TYR A 4 16.085 6.371 1.072 1.00 0.00 N ATOM 56 CA TYR A 4 14.800 6.578 1.760 1.00 0.00 C ATOM 57 C TYR A 4 14.892 7.089 3.213 1.00 0.00 C ATOM 58 O TYR A 4 13.931 6.955 3.975 1.00 0.00 O ATOM 59 CB TYR A 4 13.945 5.301 1.627 1.00 0.00 C ATOM 60 CG TYR A 4 13.982 4.663 0.246 1.00 0.00 C ATOM 61 CD1 TYR A 4 13.305 5.273 -0.829 1.00 0.00 C ATOM 62 CD2 TYR A 4 14.743 3.497 0.028 1.00 0.00 C ATOM 63 CE1 TYR A 4 13.394 4.718 -2.121 1.00 0.00 C ATOM 64 CE2 TYR A 4 14.834 2.941 -1.263 1.00 0.00 C ATOM 65 CZ TYR A 4 14.158 3.551 -2.342 1.00 0.00 C ATOM 66 OH TYR A 4 14.242 3.026 -3.596 1.00 0.00 O ATOM 0 H TYR A 4 16.166 6.937 0.228 1.00 0.00 H new ATOM 0 HA TYR A 4 14.307 7.408 1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 4 14.287 4.571 2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.911 5.542 1.875 1.00 0.00 H new ATOM 0 HD1 TYR A 4 12.719 6.165 -0.663 1.00 0.00 H new ATOM 0 HD2 TYR A 4 15.258 3.028 0.853 1.00 0.00 H new ATOM 0 HE1 TYR A 4 12.876 5.187 -2.945 1.00 0.00 H new ATOM 0 HE2 TYR A 4 15.420 2.049 -1.427 1.00 0.00 H new ATOM 0 HH TYR A 4 14.806 2.225 -3.578 1.00 0.00 H new ATOM 76 N VAL A 5 16.025 7.678 3.621 1.00 0.00 N ATOM 77 CA VAL A 5 16.280 8.096 5.017 1.00 0.00 C ATOM 78 C VAL A 5 15.238 9.080 5.569 1.00 0.00 C ATOM 79 O VAL A 5 14.846 8.963 6.731 1.00 0.00 O ATOM 80 CB VAL A 5 17.707 8.652 5.209 1.00 0.00 C ATOM 81 CG1 VAL A 5 18.755 7.568 4.931 1.00 0.00 C ATOM 82 CG2 VAL A 5 18.025 9.878 4.339 1.00 0.00 C ATOM 0 H VAL A 5 16.800 7.882 2.990 1.00 0.00 H new ATOM 0 HA VAL A 5 16.186 7.181 5.602 1.00 0.00 H new ATOM 0 HB VAL A 5 17.748 8.974 6.250 1.00 0.00 H new ATOM 0 HG11 VAL A 5 19.753 7.982 5.072 1.00 0.00 H new ATOM 0 HG12 VAL A 5 18.607 6.735 5.618 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.650 7.215 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 5 19.046 10.207 4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.923 9.614 3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 5 17.332 10.684 4.579 1.00 0.00 H new ATOM 92 N ALA A 6 14.735 10.002 4.739 1.00 0.00 N ATOM 93 CA ALA A 6 13.649 10.914 5.107 1.00 0.00 C ATOM 94 C ALA A 6 12.295 10.188 5.200 1.00 0.00 C ATOM 95 O ALA A 6 11.602 10.299 6.213 1.00 0.00 O ATOM 96 CB ALA A 6 13.607 12.058 4.084 1.00 0.00 C ATOM 0 H ALA A 6 15.074 10.136 3.786 1.00 0.00 H new ATOM 0 HA ALA A 6 13.841 11.319 6.101 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.803 12.748 4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.559 12.590 4.093 1.00 0.00 H new ATOM 0 HB3 ALA A 6 13.429 11.650 3.089 1.00 0.00 H new ATOM 102 N LEU A 7 11.937 9.386 4.190 1.00 0.00 N ATOM 103 CA LEU A 7 10.691 8.604 4.144 1.00 0.00 C ATOM 104 C LEU A 7 10.561 7.687 5.377 1.00 0.00 C ATOM 105 O LEU A 7 9.506 7.598 6.001 1.00 0.00 O ATOM 106 CB LEU A 7 10.674 7.816 2.813 1.00 0.00 C ATOM 107 CG LEU A 7 9.288 7.470 2.233 1.00 0.00 C ATOM 108 CD1 LEU A 7 9.480 6.791 0.875 1.00 0.00 C ATOM 109 CD2 LEU A 7 8.453 6.526 3.101 1.00 0.00 C ATOM 0 H LEU A 7 12.518 9.258 3.361 1.00 0.00 H new ATOM 0 HA LEU A 7 9.825 9.264 4.178 1.00 0.00 H new ATOM 0 HB2 LEU A 7 11.220 8.394 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 7 11.223 6.886 2.961 1.00 0.00 H new ATOM 0 HG LEU A 7 8.747 8.414 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.507 6.540 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 7 10.005 7.468 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 7 10.065 5.880 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.495 6.338 2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.986 5.584 3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.283 6.983 4.076 1.00 0.00 H new ATOM 121 N THR A 8 11.669 7.069 5.791 1.00 0.00 N ATOM 122 CA THR A 8 11.759 6.179 6.963 1.00 0.00 C ATOM 123 C THR A 8 11.616 6.916 8.312 1.00 0.00 C ATOM 124 O THR A 8 11.356 6.268 9.326 1.00 0.00 O ATOM 125 CB THR A 8 13.073 5.367 6.910 1.00 0.00 C ATOM 126 OG1 THR A 8 13.233 4.772 5.637 1.00 0.00 O ATOM 127 CG2 THR A 8 13.131 4.195 7.894 1.00 0.00 C ATOM 0 H THR A 8 12.561 7.174 5.307 1.00 0.00 H new ATOM 0 HA THR A 8 10.908 5.500 6.909 1.00 0.00 H new ATOM 0 HB THR A 8 13.845 6.096 7.156 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.493 5.457 4.986 1.00 0.00 H new ATOM 0 HG21 THR A 8 14.086 3.680 7.790 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.029 4.570 8.913 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.319 3.500 7.680 1.00 0.00 H new ATOM 135 N ALA A 9 11.725 8.254 8.351 1.00 0.00 N ATOM 136 CA ALA A 9 11.830 9.036 9.592 1.00 0.00 C ATOM 137 C ALA A 9 10.777 10.157 9.730 1.00 0.00 C ATOM 138 O ALA A 9 9.999 10.138 10.684 1.00 0.00 O ATOM 139 CB ALA A 9 13.258 9.588 9.685 1.00 0.00 C ATOM 0 H ALA A 9 11.743 8.830 7.509 1.00 0.00 H new ATOM 0 HA ALA A 9 11.616 8.369 10.427 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.363 10.173 10.598 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.968 8.761 9.700 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.460 10.223 8.822 1.00 0.00 H new ATOM 145 N VAL A 10 10.694 11.102 8.781 1.00 0.00 N ATOM 146 CA VAL A 10 9.676 12.179 8.784 1.00 0.00 C ATOM 147 C VAL A 10 8.326 11.742 8.193 1.00 0.00 C ATOM 148 O VAL A 10 7.325 12.435 8.377 1.00 0.00 O ATOM 149 CB VAL A 10 10.171 13.479 8.113 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.291 14.121 8.940 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.672 13.304 6.677 1.00 0.00 C ATOM 0 H VAL A 10 11.330 11.146 7.985 1.00 0.00 H new ATOM 0 HA VAL A 10 9.510 12.397 9.839 1.00 0.00 H new ATOM 0 HB VAL A 10 9.291 14.120 8.070 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.626 15.036 8.451 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.917 14.358 9.936 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.127 13.426 9.022 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.999 14.267 6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.508 12.605 6.666 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.866 12.915 6.055 1.00 0.00 H new ATOM 180 N VAL A 12 7.747 8.089 8.627 1.00 0.00 N ATOM 181 CA VAL A 12 7.764 6.808 9.375 1.00 0.00 C ATOM 182 C VAL A 12 7.502 5.535 8.540 1.00 0.00 C ATOM 183 O VAL A 12 6.789 4.625 8.966 1.00 0.00 O ATOM 184 CB VAL A 12 6.905 6.885 10.660 1.00 0.00 C ATOM 185 CG1 VAL A 12 7.474 7.927 11.631 1.00 0.00 C ATOM 186 CG2 VAL A 12 5.427 7.214 10.410 1.00 0.00 C ATOM 0 HA VAL A 12 8.803 6.682 9.678 1.00 0.00 H new ATOM 0 HB VAL A 12 6.949 5.883 11.087 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.855 7.965 12.528 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.493 7.652 11.904 1.00 0.00 H new ATOM 0 HG13 VAL A 12 7.479 8.906 11.152 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.896 7.249 11.361 1.00 0.00 H new ATOM 0 HG22 VAL A 12 5.348 8.182 9.915 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.985 6.445 9.776 1.00 0.00 H new ATOM 196 N ALA A 13 8.092 5.467 7.341 1.00 0.00 N ATOM 197 CA ALA A 13 7.938 4.379 6.369 1.00 0.00 C ATOM 198 C ALA A 13 6.472 4.072 5.973 1.00 0.00 C ATOM 199 O ALA A 13 6.101 2.911 5.787 1.00 0.00 O ATOM 200 CB ALA A 13 8.744 3.153 6.835 1.00 0.00 C ATOM 0 H ALA A 13 8.717 6.201 7.007 1.00 0.00 H new ATOM 0 HA ALA A 13 8.362 4.716 5.423 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.629 2.345 6.112 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.798 3.420 6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.377 2.824 7.807 1.00 0.00 H new ATOM 206 N VAL A 14 5.636 5.111 5.818 1.00 0.00 N ATOM 207 CA VAL A 14 4.214 5.042 5.403 1.00 0.00 C ATOM 208 C VAL A 14 3.931 4.098 4.220 1.00 0.00 C ATOM 209 O VAL A 14 2.885 3.449 4.187 1.00 0.00 O ATOM 210 CB VAL A 14 3.657 6.461 5.145 1.00 0.00 C ATOM 211 CG1 VAL A 14 4.324 7.174 3.960 1.00 0.00 C ATOM 212 CG2 VAL A 14 2.140 6.467 4.932 1.00 0.00 C ATOM 0 H VAL A 14 5.941 6.070 5.985 1.00 0.00 H new ATOM 0 HA VAL A 14 3.683 4.592 6.242 1.00 0.00 H new ATOM 0 HB VAL A 14 3.896 7.011 6.055 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.885 8.164 3.837 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.393 7.273 4.150 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.169 6.592 3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.801 7.488 4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.891 5.848 4.070 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.646 6.070 5.819 1.00 0.00 H new ATOM 222 N ALA A 15 4.882 3.956 3.289 1.00 0.00 N ATOM 223 CA ALA A 15 4.805 3.036 2.153 1.00 0.00 C ATOM 224 C ALA A 15 4.525 1.569 2.548 1.00 0.00 C ATOM 225 O ALA A 15 3.786 0.885 1.840 1.00 0.00 O ATOM 226 CB ALA A 15 6.109 3.160 1.353 1.00 0.00 C ATOM 0 H ALA A 15 5.749 4.493 3.308 1.00 0.00 H new ATOM 0 HA ALA A 15 3.947 3.322 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.078 2.483 0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.223 4.185 1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.954 2.900 1.991 1.00 0.00 H new ATOM 232 N LEU A 16 5.051 1.091 3.686 1.00 0.00 N ATOM 233 CA LEU A 16 4.775 -0.253 4.218 1.00 0.00 C ATOM 234 C LEU A 16 3.287 -0.434 4.552 1.00 0.00 C ATOM 235 O LEU A 16 2.664 -1.413 4.142 1.00 0.00 O ATOM 236 CB LEU A 16 5.651 -0.480 5.470 1.00 0.00 C ATOM 237 CG LEU A 16 5.373 -1.790 6.237 1.00 0.00 C ATOM 238 CD1 LEU A 16 5.627 -3.037 5.386 1.00 0.00 C ATOM 239 CD2 LEU A 16 6.265 -1.860 7.476 1.00 0.00 C ATOM 0 H LEU A 16 5.688 1.633 4.270 1.00 0.00 H new ATOM 0 HA LEU A 16 5.020 -0.994 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.698 -0.470 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.508 0.359 6.151 1.00 0.00 H new ATOM 0 HG LEU A 16 4.318 -1.777 6.512 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.416 -3.929 5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.978 -3.018 4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.669 -3.053 5.065 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.066 -2.786 8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.312 -1.834 7.173 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.054 -1.010 8.125 1.00 0.00 H new ATOM 251 N TYR A 17 2.717 0.518 5.288 1.00 0.00 N ATOM 252 CA TYR A 17 1.331 0.467 5.759 1.00 0.00 C ATOM 253 C TYR A 17 0.323 0.690 4.619 1.00 0.00 C ATOM 254 O TYR A 17 -0.745 0.074 4.615 1.00 0.00 O ATOM 255 CB TYR A 17 1.157 1.483 6.898 1.00 0.00 C ATOM 256 CG TYR A 17 2.156 1.274 8.027 1.00 0.00 C ATOM 257 CD1 TYR A 17 1.955 0.243 8.966 1.00 0.00 C ATOM 258 CD2 TYR A 17 3.324 2.060 8.094 1.00 0.00 C ATOM 259 CE1 TYR A 17 2.922 -0.008 9.959 1.00 0.00 C ATOM 260 CE2 TYR A 17 4.289 1.819 9.089 1.00 0.00 C ATOM 261 CZ TYR A 17 4.093 0.781 10.024 1.00 0.00 C ATOM 262 OH TYR A 17 5.025 0.531 10.985 1.00 0.00 O ATOM 0 H TYR A 17 3.212 1.361 5.580 1.00 0.00 H new ATOM 0 HA TYR A 17 1.120 -0.532 6.141 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.270 2.492 6.500 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.145 1.408 7.295 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.057 -0.356 8.924 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.479 2.852 7.377 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.768 -0.805 10.672 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.179 2.428 9.137 1.00 0.00 H new ATOM 0 HH TYR A 17 5.769 1.162 10.891 1.00 0.00 H new ATOM 272 N ALA A 18 0.685 1.497 3.613 1.00 0.00 N ATOM 273 CA ALA A 18 -0.056 1.611 2.357 1.00 0.00 C ATOM 274 C ALA A 18 -0.032 0.293 1.556 1.00 0.00 C ATOM 275 O ALA A 18 -1.088 -0.257 1.245 1.00 0.00 O ATOM 276 CB ALA A 18 0.524 2.782 1.553 1.00 0.00 C ATOM 0 H ALA A 18 1.511 2.095 3.652 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.106 1.808 2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.018 2.881 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.424 3.703 2.128 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.578 2.595 1.347 1.00 0.00 H new ATOM 282 N TYR A 19 1.152 -0.269 1.279 1.00 0.00 N ATOM 283 CA TYR A 19 1.308 -1.557 0.583 1.00 0.00 C ATOM 284 C TYR A 19 0.566 -2.698 1.297 1.00 0.00 C ATOM 285 O TYR A 19 -0.079 -3.526 0.652 1.00 0.00 O ATOM 286 CB TYR A 19 2.806 -1.868 0.439 1.00 0.00 C ATOM 287 CG TYR A 19 3.122 -3.113 -0.371 1.00 0.00 C ATOM 288 CD1 TYR A 19 3.225 -4.368 0.263 1.00 0.00 C ATOM 289 CD2 TYR A 19 3.337 -3.009 -1.760 1.00 0.00 C ATOM 290 CE1 TYR A 19 3.536 -5.517 -0.489 1.00 0.00 C ATOM 291 CE2 TYR A 19 3.655 -4.155 -2.515 1.00 0.00 C ATOM 292 CZ TYR A 19 3.752 -5.414 -1.881 1.00 0.00 C ATOM 293 OH TYR A 19 4.058 -6.526 -2.602 1.00 0.00 O ATOM 0 H TYR A 19 2.041 0.162 1.534 1.00 0.00 H new ATOM 0 HA TYR A 19 0.856 -1.475 -0.405 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.297 -1.014 -0.027 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.237 -1.980 1.434 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.065 -4.448 1.328 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.258 -2.048 -2.247 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.609 -6.478 -0.001 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.825 -4.071 -3.578 1.00 0.00 H new ATOM 0 HH TYR A 19 4.174 -6.283 -3.544 1.00 0.00 H new ATOM 303 N GLY A 20 0.563 -2.690 2.632 1.00 0.00 N ATOM 304 CA GLY A 20 -0.131 -3.648 3.498 1.00 0.00 C ATOM 305 C GLY A 20 -1.668 -3.658 3.429 1.00 0.00 C ATOM 306 O GLY A 20 -2.292 -4.448 4.141 1.00 0.00 O ATOM 0 H GLY A 20 1.068 -1.982 3.165 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.227 -4.648 3.253 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.162 -3.448 4.529 1.00 0.00 H new ATOM 310 N LEU A 21 -2.282 -2.826 2.576 1.00 0.00 N ATOM 311 CA LEU A 21 -3.709 -2.905 2.223 1.00 0.00 C ATOM 312 C LEU A 21 -4.006 -2.622 0.736 1.00 0.00 C ATOM 313 O LEU A 21 -4.966 -3.168 0.194 1.00 0.00 O ATOM 314 CB LEU A 21 -4.529 -2.028 3.193 1.00 0.00 C ATOM 315 CG LEU A 21 -4.326 -0.502 3.090 1.00 0.00 C ATOM 316 CD1 LEU A 21 -5.308 0.148 2.109 1.00 0.00 C ATOM 317 CD2 LEU A 21 -4.562 0.145 4.456 1.00 0.00 C ATOM 0 H LEU A 21 -1.794 -2.066 2.103 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.025 -3.941 2.346 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.586 -2.242 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.292 -2.335 4.212 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.306 -0.346 2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.126 1.222 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.167 -0.280 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.330 -0.036 2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.417 1.223 4.378 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.580 -0.062 4.785 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.857 -0.264 5.179 1.00 0.00 H new ATOM 342 N PHE A 23 -1.932 -3.692 -1.608 1.00 0.00 N ATOM 343 CA PHE A 23 -1.318 -4.862 -2.253 1.00 0.00 C ATOM 344 C PHE A 23 -1.457 -6.137 -1.406 1.00 0.00 C ATOM 345 O PHE A 23 -1.861 -7.173 -1.939 1.00 0.00 O ATOM 346 CB PHE A 23 0.164 -4.560 -2.553 1.00 0.00 C ATOM 347 CG PHE A 23 0.567 -4.763 -4.002 1.00 0.00 C ATOM 348 CD1 PHE A 23 0.561 -6.054 -4.565 1.00 0.00 C ATOM 349 CD2 PHE A 23 0.963 -3.663 -4.786 1.00 0.00 C ATOM 350 CE1 PHE A 23 0.954 -6.244 -5.902 1.00 0.00 C ATOM 351 CE2 PHE A 23 1.357 -3.853 -6.124 1.00 0.00 C ATOM 352 CZ PHE A 23 1.353 -5.144 -6.681 1.00 0.00 C ATOM 0 HA PHE A 23 -1.849 -5.052 -3.186 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.376 -3.529 -2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.786 -5.196 -1.924 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.254 -6.900 -3.968 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.965 -2.671 -4.360 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.949 -7.235 -6.330 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.662 -3.007 -6.722 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.656 -5.290 -7.707 1.00 0.00 H new ATOM 362 N ARG A 24 -1.189 -6.055 -0.089 1.00 0.00 N ATOM 363 CA ARG A 24 -1.321 -7.123 0.936 1.00 0.00 C ATOM 364 C ARG A 24 -0.853 -8.527 0.496 1.00 0.00 C ATOM 365 O ARG A 24 -1.441 -9.543 0.865 1.00 0.00 O ATOM 366 CB ARG A 24 -2.713 -7.054 1.612 1.00 0.00 C ATOM 367 CG ARG A 24 -3.966 -7.009 0.716 1.00 0.00 C ATOM 368 CD ARG A 24 -4.268 -8.318 -0.020 1.00 0.00 C ATOM 369 NE ARG A 24 -5.456 -8.176 -0.882 1.00 0.00 N ATOM 370 CZ ARG A 24 -5.498 -8.009 -2.190 1.00 0.00 C ATOM 371 NH1 ARG A 24 -4.433 -7.904 -2.935 1.00 0.00 N ATOM 372 NH2 ARG A 24 -6.659 -7.936 -2.765 1.00 0.00 N ATOM 0 H ARG A 24 -0.851 -5.184 0.321 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.588 -6.912 1.715 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.806 -7.920 2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.729 -6.169 2.248 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.827 -6.745 1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.843 -6.214 -0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.408 -8.607 -0.624 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.432 -9.117 0.703 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.358 -8.211 -0.408 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.507 -7.950 -2.510 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.526 -7.776 -3.943 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.510 -8.008 -2.207 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.721 -7.807 -3.775 1.00 0.00 H new ATOM 386 N LEU A 25 0.209 -8.569 -0.315 1.00 0.00 N ATOM 387 CA LEU A 25 0.712 -9.762 -1.014 1.00 0.00 C ATOM 388 C LEU A 25 1.285 -10.853 -0.083 1.00 0.00 C ATOM 389 O LEU A 25 1.283 -12.033 -0.438 1.00 0.00 O ATOM 390 CB LEU A 25 1.774 -9.279 -2.024 1.00 0.00 C ATOM 391 CG LEU A 25 2.327 -10.351 -2.986 1.00 0.00 C ATOM 392 CD1 LEU A 25 1.234 -10.983 -3.851 1.00 0.00 C ATOM 393 CD2 LEU A 25 3.358 -9.717 -3.920 1.00 0.00 C ATOM 0 H LEU A 25 0.767 -7.738 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.127 -10.250 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.342 -8.474 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.609 -8.853 -1.468 1.00 0.00 H new ATOM 0 HG LEU A 25 2.773 -11.130 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.677 -11.730 -4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.492 -11.459 -3.210 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.753 -10.211 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.748 -10.475 -4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.886 -8.921 -4.497 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.176 -9.302 -3.331 1.00 0.00 H new ATOM 424 N GLY A 27 2.302 -11.717 4.484 1.00 0.00 N ATOM 425 CA GLY A 27 1.843 -11.451 5.858 1.00 0.00 C ATOM 426 C GLY A 27 2.668 -12.059 6.998 1.00 0.00 C ATOM 427 O GLY A 27 2.374 -11.793 8.164 1.00 0.00 O ATOM 0 HA2 GLY A 27 1.812 -10.371 6.001 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.819 -11.815 5.949 1.00 0.00 H new ATOM 431 N ALA A 28 3.718 -12.830 6.698 1.00 0.00 N ATOM 432 CA ALA A 28 4.641 -13.372 7.706 1.00 0.00 C ATOM 433 C ALA A 28 5.535 -12.301 8.382 1.00 0.00 C ATOM 434 O ALA A 28 6.165 -12.586 9.405 1.00 0.00 O ATOM 435 CB ALA A 28 5.489 -14.461 7.036 1.00 0.00 C ATOM 0 H ALA A 28 3.955 -13.099 5.743 1.00 0.00 H new ATOM 0 HA ALA A 28 4.046 -13.787 8.520 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.184 -14.880 7.764 1.00 0.00 H new ATOM 0 HB2 ALA A 28 4.837 -15.250 6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.049 -14.028 6.208 1.00 0.00 H new ATOM 441 N SER A 29 5.588 -11.079 7.828 1.00 0.00 N ATOM 442 CA SER A 29 6.551 -10.025 8.204 1.00 0.00 C ATOM 443 C SER A 29 5.959 -8.602 8.272 1.00 0.00 C ATOM 444 O SER A 29 6.711 -7.644 8.469 1.00 0.00 O ATOM 445 CB SER A 29 7.732 -10.032 7.214 1.00 0.00 C ATOM 446 OG SER A 29 8.335 -11.317 7.105 1.00 0.00 O ATOM 0 H SER A 29 4.949 -10.787 7.089 1.00 0.00 H new ATOM 0 HA SER A 29 6.871 -10.267 9.217 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.383 -9.712 6.232 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.480 -9.308 7.538 1.00 0.00 H new ATOM 0 HG SER A 29 9.077 -11.277 6.467 1.00 0.00 H new ATOM 452 N GLY A 30 4.639 -8.421 8.114 1.00 0.00 N ATOM 453 CA GLY A 30 4.010 -7.090 8.147 1.00 0.00 C ATOM 454 C GLY A 30 2.487 -7.054 7.917 1.00 0.00 C ATOM 455 O GLY A 30 1.861 -8.106 7.732 1.00 0.00 O ATOM 0 H GLY A 30 3.981 -9.186 7.961 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.222 -6.634 9.114 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.486 -6.467 7.390 1.00 0.00 H new ATOM 459 N PRO A 31 1.877 -5.848 7.946 1.00 0.00 N ATOM 460 CA PRO A 31 0.438 -5.628 7.747 1.00 0.00 C ATOM 461 C PRO A 31 -0.119 -6.286 6.474 1.00 0.00 C ATOM 462 O PRO A 31 0.455 -6.145 5.392 1.00 0.00 O ATOM 463 CB PRO A 31 0.252 -4.105 7.713 1.00 0.00 C ATOM 464 CG PRO A 31 1.442 -3.570 8.503 1.00 0.00 C ATOM 465 CD PRO A 31 2.546 -4.575 8.189 1.00 0.00 C ATOM 0 HA PRO A 31 -0.123 -6.097 8.555 1.00 0.00 H new ATOM 0 HB2 PRO A 31 0.249 -3.726 6.691 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.694 -3.808 8.166 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.714 -2.562 8.190 1.00 0.00 H new ATOM 0 HG3 PRO A 31 1.229 -3.525 9.571 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.120 -4.263 7.316 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.247 -4.656 9.019 1.00 0.00 H new ATOM 473 N ASN A 32 -1.240 -7.006 6.606 1.00 0.00 N ATOM 474 CA ASN A 32 -1.855 -7.778 5.511 1.00 0.00 C ATOM 475 C ASN A 32 -3.373 -8.054 5.674 1.00 0.00 C ATOM 476 O ASN A 32 -3.947 -8.803 4.882 1.00 0.00 O ATOM 477 CB ASN A 32 -1.062 -9.093 5.349 1.00 0.00 C ATOM 478 CG ASN A 32 -1.223 -10.043 6.524 1.00 0.00 C ATOM 479 OD1 ASN A 32 -2.040 -10.951 6.513 1.00 0.00 O ATOM 480 ND2 ASN A 32 -0.452 -9.878 7.576 1.00 0.00 N ATOM 0 H ASN A 32 -1.754 -7.072 7.485 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.797 -7.165 4.611 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.388 -9.595 4.438 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -0.005 -8.858 5.223 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.539 -10.506 8.375 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.233 -9.122 7.593 1.00 0.00 H new ATOM 487 N LYS A 33 -4.030 -7.473 6.691 1.00 0.00 N ATOM 488 CA LYS A 33 -5.399 -7.833 7.141 1.00 0.00 C ATOM 489 C LYS A 33 -6.443 -6.728 6.894 1.00 0.00 C ATOM 490 O LYS A 33 -7.503 -6.710 7.527 1.00 0.00 O ATOM 491 CB LYS A 33 -5.350 -8.298 8.615 1.00 0.00 C ATOM 492 CG LYS A 33 -4.498 -9.556 8.873 1.00 0.00 C ATOM 493 CD LYS A 33 -5.008 -10.796 8.122 1.00 0.00 C ATOM 494 CE LYS A 33 -4.231 -12.045 8.557 1.00 0.00 C ATOM 495 NZ LYS A 33 -4.635 -13.238 7.770 1.00 0.00 N ATOM 0 H LYS A 33 -3.619 -6.719 7.242 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.746 -8.662 6.525 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.961 -7.483 9.225 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.368 -8.491 8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.468 -9.357 8.576 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.486 -9.766 9.942 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.071 -10.935 8.318 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.899 -10.648 7.048 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.162 -11.871 8.434 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.403 -12.231 9.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.091 -14.065 8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.650 -13.417 7.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.447 -13.068 6.761 1.00 0.00 H new ATOM 509 N LYS A 34 -6.154 -5.820 5.955 1.00 0.00 N ATOM 510 CA LYS A 34 -7.048 -4.761 5.446 1.00 0.00 C ATOM 511 C LYS A 34 -6.955 -4.680 3.916 1.00 0.00 C ATOM 512 O LYS A 34 -6.012 -5.198 3.321 1.00 0.00 O ATOM 513 CB LYS A 34 -6.686 -3.406 6.089 1.00 0.00 C ATOM 514 CG LYS A 34 -6.974 -3.347 7.599 1.00 0.00 C ATOM 515 CD LYS A 34 -6.721 -1.933 8.147 1.00 0.00 C ATOM 516 CE LYS A 34 -7.059 -1.804 9.640 1.00 0.00 C ATOM 517 NZ LYS A 34 -6.088 -2.519 10.512 1.00 0.00 N ATOM 0 H LYS A 34 -5.241 -5.799 5.501 1.00 0.00 H new ATOM 0 HA LYS A 34 -8.076 -5.005 5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.628 -3.204 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.245 -2.615 5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -8.008 -3.636 7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.342 -4.064 8.123 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.675 -1.670 7.992 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.317 -1.217 7.581 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.079 -0.749 9.914 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.059 -2.199 9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.363 -2.400 11.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.086 -3.531 10.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.136 -2.127 10.366 1.00 0.00 H new ATOM 531 N GLU A 35 -7.916 -4.004 3.288 1.00 0.00 N ATOM 532 CA GLU A 35 -7.963 -3.731 1.841 1.00 0.00 C ATOM 533 C GLU A 35 -8.511 -2.314 1.576 1.00 0.00 C ATOM 534 O GLU A 35 -9.192 -1.742 2.431 1.00 0.00 O ATOM 535 CB GLU A 35 -8.824 -4.781 1.110 1.00 0.00 C ATOM 536 CG GLU A 35 -8.257 -6.208 1.205 1.00 0.00 C ATOM 537 CD GLU A 35 -9.006 -7.197 0.294 1.00 0.00 C ATOM 538 OE1 GLU A 35 -8.348 -7.822 -0.576 1.00 0.00 O ATOM 539 OE2 GLU A 35 -10.239 -7.375 0.450 1.00 0.00 O ATOM 0 H GLU A 35 -8.716 -3.614 3.786 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.946 -3.792 1.453 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.831 -4.769 1.528 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.911 -4.502 0.060 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.201 -6.196 0.934 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.317 -6.552 2.238 1.00 0.00 H new ATOM 546 N SER A 36 -8.216 -1.742 0.401 1.00 0.00 N ATOM 547 CA SER A 36 -8.609 -0.375 0.003 1.00 0.00 C ATOM 548 C SER A 36 -10.124 -0.106 0.062 1.00 0.00 C ATOM 549 O SER A 36 -10.936 -0.996 -0.213 1.00 0.00 O ATOM 550 CB SER A 36 -8.123 -0.086 -1.422 1.00 0.00 C ATOM 551 OG SER A 36 -6.718 -0.251 -1.519 1.00 0.00 O ATOM 0 H SER A 36 -7.683 -2.227 -0.321 1.00 0.00 H new ATOM 0 HA SER A 36 -8.139 0.285 0.732 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.621 -0.755 -2.124 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.394 0.931 -1.704 1.00 0.00 H new ATOM 0 HG SER A 36 -6.429 -0.063 -2.437 1.00 0.00 H new ATOM 557 N ARG A 37 -10.503 1.148 0.363 1.00 0.00 N ATOM 558 CA ARG A 37 -11.895 1.630 0.524 1.00 0.00 C ATOM 559 C ARG A 37 -12.113 3.008 -0.128 1.00 0.00 C ATOM 560 O ARG A 37 -11.158 3.673 -0.537 1.00 0.00 O ATOM 561 CB ARG A 37 -12.266 1.688 2.028 1.00 0.00 C ATOM 562 CG ARG A 37 -12.115 0.370 2.806 1.00 0.00 C ATOM 563 CD ARG A 37 -13.043 -0.745 2.303 1.00 0.00 C ATOM 564 NE ARG A 37 -12.614 -2.065 2.806 1.00 0.00 N ATOM 565 CZ ARG A 37 -13.026 -3.241 2.370 1.00 0.00 C ATOM 566 NH1 ARG A 37 -13.944 -3.362 1.450 1.00 0.00 N ATOM 567 NH2 ARG A 37 -12.522 -4.338 2.859 1.00 0.00 N ATOM 0 H ARG A 37 -9.819 1.891 0.508 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.547 0.922 0.013 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.644 2.444 2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.300 2.023 2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.081 0.032 2.735 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.319 0.554 3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.065 -0.545 2.626 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -13.049 -0.753 1.213 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.932 -2.069 3.565 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.370 -2.530 1.042 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.236 -4.289 1.139 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.805 -4.291 3.583 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.844 -5.244 2.518 1.00 0.00 H new ATOM 581 N GLY A 38 -13.373 3.440 -0.198 1.00 0.00 N ATOM 582 CA GLY A 38 -13.807 4.731 -0.748 1.00 0.00 C ATOM 583 C GLY A 38 -15.261 5.073 -0.391 1.00 0.00 C ATOM 584 O GLY A 38 -15.941 4.299 0.291 1.00 0.00 O ATOM 0 H GLY A 38 -14.154 2.878 0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.152 5.518 -0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.699 4.713 -1.832 1.00 0.00 H new ATOM 588 N ARG A 39 -15.739 6.241 -0.846 1.00 0.00 N ATOM 589 CA ARG A 39 -17.047 6.838 -0.475 1.00 0.00 C ATOM 590 C ARG A 39 -17.863 7.344 -1.683 1.00 0.00 C ATOM 591 O ARG A 39 -18.719 8.220 -1.542 1.00 0.00 O ATOM 592 CB ARG A 39 -16.828 7.938 0.590 1.00 0.00 C ATOM 593 CG ARG A 39 -16.268 7.395 1.915 1.00 0.00 C ATOM 594 CD ARG A 39 -16.188 8.505 2.970 1.00 0.00 C ATOM 595 NE ARG A 39 -15.709 7.982 4.266 1.00 0.00 N ATOM 596 CZ ARG A 39 -15.517 8.677 5.374 1.00 0.00 C ATOM 597 NH1 ARG A 39 -15.729 9.962 5.433 1.00 0.00 N ATOM 598 NH2 ARG A 39 -15.106 8.085 6.459 1.00 0.00 N ATOM 0 H ARG A 39 -15.216 6.820 -1.503 1.00 0.00 H new ATOM 0 HA ARG A 39 -17.661 6.046 -0.047 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -16.143 8.687 0.193 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -17.775 8.442 0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -16.903 6.587 2.279 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -15.277 6.972 1.750 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -15.518 9.291 2.623 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -17.171 8.958 3.099 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.506 6.983 4.310 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -16.054 10.464 4.607 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.570 10.466 6.306 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -14.931 7.080 6.457 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.960 8.626 7.311 1.00 0.00 H new ATOM 612 N GLY A 40 -17.604 6.801 -2.877 1.00 0.00 N ATOM 613 CA GLY A 40 -18.331 7.146 -4.112 1.00 0.00 C ATOM 614 C GLY A 40 -17.911 6.372 -5.371 1.00 0.00 C ATOM 615 O GLY A 40 -18.689 6.251 -6.316 1.00 0.00 O ATOM 0 H GLY A 40 -16.876 6.101 -3.019 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -19.395 6.980 -3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -18.201 8.211 -4.303 1.00 0.00 H new