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 74:sc= 0.888 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 112:sc= 0.0489 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0.71 K(o=0.71,f=-1.8!) 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 18.720 7.973 -1.723 1.00 0.00 N ATOM 20 CA VAL A 2 19.045 8.296 -0.307 1.00 0.00 C ATOM 21 C VAL A 2 18.717 7.125 0.644 1.00 0.00 C ATOM 22 O VAL A 2 18.540 7.307 1.847 1.00 0.00 O ATOM 23 CB VAL A 2 18.368 9.612 0.147 1.00 0.00 C ATOM 24 CG1 VAL A 2 18.851 10.809 -0.681 1.00 0.00 C ATOM 25 CG2 VAL A 2 16.834 9.564 0.080 1.00 0.00 C ATOM 0 HA VAL A 2 20.123 8.452 -0.255 1.00 0.00 H new ATOM 0 HB VAL A 2 18.661 9.732 1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 2 18.355 11.715 -0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 2 19.929 10.919 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 2 18.613 10.644 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 2 16.425 10.518 0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 2 16.520 9.372 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 2 16.466 8.767 0.727 1.00 0.00 H new ATOM 35 N PHE A 3 18.582 5.915 0.085 1.00 0.00 N ATOM 36 CA PHE A 3 18.104 4.680 0.731 1.00 0.00 C ATOM 37 C PHE A 3 16.845 4.846 1.615 1.00 0.00 C ATOM 38 O PHE A 3 16.665 4.153 2.619 1.00 0.00 O ATOM 39 CB PHE A 3 19.280 3.939 1.397 1.00 0.00 C ATOM 40 CG PHE A 3 19.247 2.444 1.131 1.00 0.00 C ATOM 41 CD1 PHE A 3 18.656 1.559 2.053 1.00 0.00 C ATOM 42 CD2 PHE A 3 19.770 1.942 -0.078 1.00 0.00 C ATOM 43 CE1 PHE A 3 18.586 0.183 1.766 1.00 0.00 C ATOM 44 CE2 PHE A 3 19.701 0.568 -0.365 1.00 0.00 C ATOM 45 CZ PHE A 3 19.107 -0.312 0.557 1.00 0.00 C ATOM 0 H PHE A 3 18.819 5.760 -0.895 1.00 0.00 H new ATOM 0 HA PHE A 3 17.722 4.032 -0.057 1.00 0.00 H new ATOM 0 HB2 PHE A 3 20.220 4.350 1.029 1.00 0.00 H new ATOM 0 HB3 PHE A 3 19.254 4.115 2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 3 18.256 1.937 2.982 1.00 0.00 H new ATOM 0 HD2 PHE A 3 20.226 2.617 -0.787 1.00 0.00 H new ATOM 0 HE1 PHE A 3 18.132 -0.493 2.475 1.00 0.00 H new ATOM 0 HE2 PHE A 3 20.104 0.188 -1.292 1.00 0.00 H new ATOM 0 HZ PHE A 3 19.051 -1.368 0.337 1.00 0.00 H new ATOM 55 N TYR A 4 15.958 5.767 1.215 1.00 0.00 N ATOM 56 CA TYR A 4 14.621 6.014 1.782 1.00 0.00 C ATOM 57 C TYR A 4 14.588 6.366 3.286 1.00 0.00 C ATOM 58 O TYR A 4 13.540 6.249 3.927 1.00 0.00 O ATOM 59 CB TYR A 4 13.686 4.846 1.408 1.00 0.00 C ATOM 60 CG TYR A 4 13.810 4.399 -0.041 1.00 0.00 C ATOM 61 CD1 TYR A 4 13.240 5.173 -1.071 1.00 0.00 C ATOM 62 CD2 TYR A 4 14.561 3.248 -0.362 1.00 0.00 C ATOM 63 CE1 TYR A 4 13.427 4.805 -2.417 1.00 0.00 C ATOM 64 CE2 TYR A 4 14.753 2.878 -1.708 1.00 0.00 C ATOM 65 CZ TYR A 4 14.187 3.660 -2.741 1.00 0.00 C ATOM 66 OH TYR A 4 14.376 3.320 -4.046 1.00 0.00 O ATOM 0 H TYR A 4 16.165 6.398 0.441 1.00 0.00 H new ATOM 0 HA TYR A 4 14.252 6.933 1.326 1.00 0.00 H new ATOM 0 HB2 TYR A 4 13.900 3.999 2.059 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.655 5.143 1.600 1.00 0.00 H new ATOM 0 HD1 TYR A 4 12.659 6.050 -0.828 1.00 0.00 H new ATOM 0 HD2 TYR A 4 14.990 2.648 0.427 1.00 0.00 H new ATOM 0 HE1 TYR A 4 12.988 5.400 -3.204 1.00 0.00 H new ATOM 0 HE2 TYR A 4 15.331 1.999 -1.950 1.00 0.00 H new ATOM 0 HH TYR A 4 14.922 2.508 -4.097 1.00 0.00 H new ATOM 76 N VAL A 5 15.710 6.811 3.868 1.00 0.00 N ATOM 77 CA VAL A 5 15.832 7.084 5.317 1.00 0.00 C ATOM 78 C VAL A 5 14.846 8.145 5.828 1.00 0.00 C ATOM 79 O VAL A 5 14.320 8.005 6.932 1.00 0.00 O ATOM 80 CB VAL A 5 17.274 7.450 5.728 1.00 0.00 C ATOM 81 CG1 VAL A 5 18.240 6.301 5.413 1.00 0.00 C ATOM 82 CG2 VAL A 5 17.803 8.735 5.073 1.00 0.00 C ATOM 0 H VAL A 5 16.568 6.995 3.348 1.00 0.00 H new ATOM 0 HA VAL A 5 15.566 6.143 5.799 1.00 0.00 H new ATOM 0 HB VAL A 5 17.226 7.629 6.802 1.00 0.00 H new ATOM 0 HG11 VAL A 5 19.250 6.582 5.711 1.00 0.00 H new ATOM 0 HG12 VAL A 5 17.935 5.409 5.960 1.00 0.00 H new ATOM 0 HG13 VAL A 5 18.222 6.094 4.343 1.00 0.00 H new ATOM 0 HG21 VAL A 5 18.822 8.924 5.412 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.797 8.620 3.989 1.00 0.00 H new ATOM 0 HG23 VAL A 5 17.166 9.574 5.352 1.00 0.00 H new ATOM 92 N ALA A 6 14.540 9.167 5.021 1.00 0.00 N ATOM 93 CA ALA A 6 13.551 10.193 5.357 1.00 0.00 C ATOM 94 C ALA A 6 12.122 9.618 5.393 1.00 0.00 C ATOM 95 O ALA A 6 11.416 9.781 6.389 1.00 0.00 O ATOM 96 CB ALA A 6 13.675 11.345 4.350 1.00 0.00 C ATOM 0 H ALA A 6 14.976 9.305 4.109 1.00 0.00 H new ATOM 0 HA ALA A 6 13.750 10.569 6.360 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.943 12.117 4.589 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.678 11.767 4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 6 13.491 10.970 3.343 1.00 0.00 H new ATOM 102 N LEU A 7 11.722 8.869 4.359 1.00 0.00 N ATOM 103 CA LEU A 7 10.431 8.166 4.302 1.00 0.00 C ATOM 104 C LEU A 7 10.276 7.224 5.512 1.00 0.00 C ATOM 105 O LEU A 7 9.247 7.217 6.185 1.00 0.00 O ATOM 106 CB LEU A 7 10.348 7.426 2.947 1.00 0.00 C ATOM 107 CG LEU A 7 8.931 7.113 2.422 1.00 0.00 C ATOM 108 CD1 LEU A 7 9.048 6.504 1.023 1.00 0.00 C ATOM 109 CD2 LEU A 7 8.136 6.130 3.282 1.00 0.00 C ATOM 0 H LEU A 7 12.293 8.731 3.525 1.00 0.00 H new ATOM 0 HA LEU A 7 9.600 8.869 4.362 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.865 8.026 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.894 6.487 3.036 1.00 0.00 H new ATOM 0 HG LEU A 7 8.394 8.061 2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 7 8.053 6.278 0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 7 9.540 7.213 0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.634 5.587 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.154 5.969 2.837 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.669 5.181 3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 7 8.018 6.538 4.286 1.00 0.00 H new ATOM 121 N THR A 8 11.342 6.499 5.852 1.00 0.00 N ATOM 122 CA THR A 8 11.408 5.571 6.995 1.00 0.00 C ATOM 123 C THR A 8 11.244 6.260 8.365 1.00 0.00 C ATOM 124 O THR A 8 10.812 5.605 9.316 1.00 0.00 O ATOM 125 CB THR A 8 12.716 4.754 6.943 1.00 0.00 C ATOM 126 OG1 THR A 8 12.845 4.117 5.687 1.00 0.00 O ATOM 127 CG2 THR A 8 12.791 3.624 7.973 1.00 0.00 C ATOM 0 H THR A 8 12.215 6.539 5.326 1.00 0.00 H new ATOM 0 HA THR A 8 10.554 4.900 6.898 1.00 0.00 H new ATOM 0 HB THR A 8 13.500 5.484 7.144 1.00 0.00 H new ATOM 0 HG1 THR A 8 13.085 4.781 5.007 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.741 3.100 7.869 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.714 4.041 8.977 1.00 0.00 H new ATOM 0 HG23 THR A 8 11.971 2.925 7.807 1.00 0.00 H new ATOM 135 N ALA A 9 11.518 7.567 8.484 1.00 0.00 N ATOM 136 CA ALA A 9 11.601 8.274 9.771 1.00 0.00 C ATOM 137 C ALA A 9 10.630 9.466 9.894 1.00 0.00 C ATOM 138 O ALA A 9 9.709 9.410 10.710 1.00 0.00 O ATOM 139 CB ALA A 9 13.061 8.691 9.996 1.00 0.00 C ATOM 0 H ALA A 9 11.690 8.170 7.680 1.00 0.00 H new ATOM 0 HA ALA A 9 11.280 7.591 10.557 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.147 9.218 10.946 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.694 7.804 10.015 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.381 9.348 9.187 1.00 0.00 H new ATOM 145 N VAL A 10 10.772 10.519 9.076 1.00 0.00 N ATOM 146 CA VAL A 10 9.874 11.699 9.105 1.00 0.00 C ATOM 147 C VAL A 10 8.505 11.443 8.454 1.00 0.00 C ATOM 148 O VAL A 10 7.585 12.244 8.637 1.00 0.00 O ATOM 149 CB VAL A 10 10.529 12.975 8.533 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.693 13.429 9.423 1.00 0.00 C ATOM 151 CG2 VAL A 10 11.045 12.837 7.097 1.00 0.00 C ATOM 0 H VAL A 10 11.509 10.584 8.374 1.00 0.00 H new ATOM 0 HA VAL A 10 9.693 11.876 10.165 1.00 0.00 H new ATOM 0 HB VAL A 10 9.729 13.715 8.517 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.142 14.329 9.004 1.00 0.00 H new ATOM 0 HG12 VAL A 10 11.323 13.641 10.426 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.443 12.639 9.473 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.489 13.780 6.778 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.797 12.049 7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.217 12.583 6.436 1.00 0.00 H new ATOM 180 N VAL A 12 7.474 7.947 8.912 1.00 0.00 N ATOM 181 CA VAL A 12 7.330 6.685 9.676 1.00 0.00 C ATOM 182 C VAL A 12 7.078 5.414 8.837 1.00 0.00 C ATOM 183 O VAL A 12 6.289 4.546 9.211 1.00 0.00 O ATOM 184 CB VAL A 12 6.341 6.840 10.857 1.00 0.00 C ATOM 185 CG1 VAL A 12 6.850 7.881 11.864 1.00 0.00 C ATOM 186 CG2 VAL A 12 4.916 7.231 10.442 1.00 0.00 C ATOM 0 HA VAL A 12 8.321 6.505 10.092 1.00 0.00 H new ATOM 0 HB VAL A 12 6.291 5.848 11.306 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.138 7.972 12.684 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.817 7.566 12.256 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.957 8.846 11.368 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.289 7.318 11.330 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.939 8.187 9.919 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.506 6.466 9.782 1.00 0.00 H new ATOM 196 N ALA A 13 7.759 5.298 7.691 1.00 0.00 N ATOM 197 CA ALA A 13 7.644 4.205 6.720 1.00 0.00 C ATOM 198 C ALA A 13 6.213 3.976 6.173 1.00 0.00 C ATOM 199 O ALA A 13 5.828 2.839 5.901 1.00 0.00 O ATOM 200 CB ALA A 13 8.306 2.937 7.291 1.00 0.00 C ATOM 0 H ALA A 13 8.440 6.000 7.402 1.00 0.00 H new ATOM 0 HA ALA A 13 8.191 4.502 5.825 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.220 2.125 6.569 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.359 3.135 7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 13 7.808 2.652 8.218 1.00 0.00 H new ATOM 206 N VAL A 14 5.421 5.045 5.993 1.00 0.00 N ATOM 207 CA VAL A 14 4.023 5.015 5.498 1.00 0.00 C ATOM 208 C VAL A 14 3.785 4.100 4.284 1.00 0.00 C ATOM 209 O VAL A 14 2.750 3.438 4.209 1.00 0.00 O ATOM 210 CB VAL A 14 3.511 6.451 5.242 1.00 0.00 C ATOM 211 CG1 VAL A 14 4.253 7.178 4.112 1.00 0.00 C ATOM 212 CG2 VAL A 14 2.007 6.491 4.946 1.00 0.00 C ATOM 0 H VAL A 14 5.742 5.992 6.194 1.00 0.00 H new ATOM 0 HA VAL A 14 3.436 4.560 6.296 1.00 0.00 H new ATOM 0 HB VAL A 14 3.714 6.976 6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.839 8.179 3.990 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.312 7.251 4.360 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.135 6.621 3.182 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.697 7.522 4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.795 5.895 4.058 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.458 6.085 5.795 1.00 0.00 H new ATOM 222 N ALA A 15 4.758 3.990 3.371 1.00 0.00 N ATOM 223 CA ALA A 15 4.698 3.113 2.199 1.00 0.00 C ATOM 224 C ALA A 15 4.488 1.620 2.543 1.00 0.00 C ATOM 225 O ALA A 15 3.781 0.926 1.812 1.00 0.00 O ATOM 226 CB ALA A 15 5.977 3.320 1.378 1.00 0.00 C ATOM 0 H ALA A 15 5.627 4.521 3.429 1.00 0.00 H new ATOM 0 HA ALA A 15 3.818 3.389 1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.953 2.676 0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.042 4.361 1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.845 3.070 1.988 1.00 0.00 H new ATOM 232 N LEU A 16 5.039 1.128 3.662 1.00 0.00 N ATOM 233 CA LEU A 16 4.832 -0.245 4.148 1.00 0.00 C ATOM 234 C LEU A 16 3.360 -0.502 4.502 1.00 0.00 C ATOM 235 O LEU A 16 2.786 -1.516 4.111 1.00 0.00 O ATOM 236 CB LEU A 16 5.739 -0.473 5.377 1.00 0.00 C ATOM 237 CG LEU A 16 5.577 -1.840 6.072 1.00 0.00 C ATOM 238 CD1 LEU A 16 5.925 -3.012 5.152 1.00 0.00 C ATOM 239 CD2 LEU A 16 6.487 -1.901 7.299 1.00 0.00 C ATOM 0 H LEU A 16 5.650 1.680 4.264 1.00 0.00 H new ATOM 0 HA LEU A 16 5.094 -0.948 3.357 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.778 -0.363 5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.539 0.312 6.106 1.00 0.00 H new ATOM 0 HG LEU A 16 4.528 -1.931 6.354 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.794 -3.950 5.692 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.268 -2.999 4.282 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.961 -2.923 4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.372 -2.867 7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.524 -1.772 6.990 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.215 -1.107 7.994 1.00 0.00 H new ATOM 251 N TYR A 17 2.744 0.429 5.229 1.00 0.00 N ATOM 252 CA TYR A 17 1.360 0.321 5.698 1.00 0.00 C ATOM 253 C TYR A 17 0.346 0.564 4.571 1.00 0.00 C ATOM 254 O TYR A 17 -0.695 -0.094 4.531 1.00 0.00 O ATOM 255 CB TYR A 17 1.162 1.282 6.877 1.00 0.00 C ATOM 256 CG TYR A 17 2.168 1.044 7.992 1.00 0.00 C ATOM 257 CD1 TYR A 17 1.990 -0.032 8.883 1.00 0.00 C ATOM 258 CD2 TYR A 17 3.324 1.844 8.084 1.00 0.00 C ATOM 259 CE1 TYR A 17 2.966 -0.310 9.860 1.00 0.00 C ATOM 260 CE2 TYR A 17 4.304 1.568 9.055 1.00 0.00 C ATOM 261 CZ TYR A 17 4.129 0.487 9.948 1.00 0.00 C ATOM 262 OH TYR A 17 5.074 0.207 10.887 1.00 0.00 O ATOM 0 H TYR A 17 3.200 1.296 5.515 1.00 0.00 H new ATOM 0 HA TYR A 17 1.176 -0.698 6.037 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.251 2.309 6.524 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.152 1.167 7.271 1.00 0.00 H new ATOM 0 HD1 TYR A 17 1.103 -0.645 8.817 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.459 2.673 7.406 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.825 -1.134 10.543 1.00 0.00 H new ATOM 0 HE2 TYR A 17 5.190 2.182 9.118 1.00 0.00 H new ATOM 0 HH TYR A 17 5.810 0.849 10.812 1.00 0.00 H new ATOM 272 N ALA A 18 0.679 1.433 3.607 1.00 0.00 N ATOM 273 CA ALA A 18 -0.056 1.575 2.352 1.00 0.00 C ATOM 274 C ALA A 18 -0.012 0.276 1.523 1.00 0.00 C ATOM 275 O ALA A 18 -1.062 -0.260 1.171 1.00 0.00 O ATOM 276 CB ALA A 18 0.513 2.770 1.577 1.00 0.00 C ATOM 0 H ALA A 18 1.477 2.063 3.682 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.108 1.762 2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.028 2.886 0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.403 3.676 2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.569 2.599 1.368 1.00 0.00 H new ATOM 282 N TYR A 19 1.172 -0.297 1.278 1.00 0.00 N ATOM 283 CA TYR A 19 1.319 -1.598 0.604 1.00 0.00 C ATOM 284 C TYR A 19 0.576 -2.722 1.352 1.00 0.00 C ATOM 285 O TYR A 19 -0.069 -3.567 0.732 1.00 0.00 O ATOM 286 CB TYR A 19 2.812 -1.915 0.441 1.00 0.00 C ATOM 287 CG TYR A 19 3.116 -3.084 -0.480 1.00 0.00 C ATOM 288 CD1 TYR A 19 3.237 -4.389 0.039 1.00 0.00 C ATOM 289 CD2 TYR A 19 3.299 -2.855 -1.858 1.00 0.00 C ATOM 290 CE1 TYR A 19 3.545 -5.463 -0.820 1.00 0.00 C ATOM 291 CE2 TYR A 19 3.612 -3.926 -2.718 1.00 0.00 C ATOM 292 CZ TYR A 19 3.737 -5.234 -2.200 1.00 0.00 C ATOM 293 OH TYR A 19 4.044 -6.275 -3.021 1.00 0.00 O ATOM 0 H TYR A 19 2.061 0.128 1.542 1.00 0.00 H new ATOM 0 HA TYR A 19 0.859 -1.536 -0.382 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.318 -1.028 0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.234 -2.125 1.424 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.094 -4.566 1.095 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.199 -1.856 -2.256 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.634 -6.463 -0.422 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.756 -3.747 -3.773 1.00 0.00 H new ATOM 0 HH TYR A 19 3.290 -6.452 -3.621 1.00 0.00 H new ATOM 303 N GLY A 20 0.565 -2.670 2.687 1.00 0.00 N ATOM 304 CA GLY A 20 -0.173 -3.565 3.585 1.00 0.00 C ATOM 305 C GLY A 20 -1.705 -3.552 3.473 1.00 0.00 C ATOM 306 O GLY A 20 -2.356 -4.321 4.185 1.00 0.00 O ATOM 0 H GLY A 20 1.098 -1.966 3.198 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.172 -4.584 3.407 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.094 -3.312 4.611 1.00 0.00 H new ATOM 310 N LEU A 21 -2.289 -2.727 2.591 1.00 0.00 N ATOM 311 CA LEU A 21 -3.716 -2.770 2.234 1.00 0.00 C ATOM 312 C LEU A 21 -4.002 -2.541 0.736 1.00 0.00 C ATOM 313 O LEU A 21 -4.975 -3.086 0.214 1.00 0.00 O ATOM 314 CB LEU A 21 -4.503 -1.826 3.168 1.00 0.00 C ATOM 315 CG LEU A 21 -4.249 -0.314 2.994 1.00 0.00 C ATOM 316 CD1 LEU A 21 -5.241 0.325 2.019 1.00 0.00 C ATOM 317 CD2 LEU A 21 -4.412 0.405 4.335 1.00 0.00 C ATOM 0 H LEU A 21 -1.774 -1.998 2.097 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.070 -3.788 2.394 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.567 -2.012 3.023 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.270 -2.094 4.199 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.236 -0.212 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.026 1.390 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.149 -0.150 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.256 0.191 2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.230 1.471 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.425 0.254 4.708 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.697 0.003 5.053 1.00 0.00 H new ATOM 342 N PHE A 23 -1.918 -3.755 -1.544 1.00 0.00 N ATOM 343 CA PHE A 23 -1.338 -4.978 -2.116 1.00 0.00 C ATOM 344 C PHE A 23 -1.536 -6.202 -1.212 1.00 0.00 C ATOM 345 O PHE A 23 -1.944 -7.252 -1.714 1.00 0.00 O ATOM 346 CB PHE A 23 0.159 -4.750 -2.405 1.00 0.00 C ATOM 347 CG PHE A 23 0.511 -4.743 -3.879 1.00 0.00 C ATOM 348 CD1 PHE A 23 0.868 -5.942 -4.525 1.00 0.00 C ATOM 349 CD2 PHE A 23 0.505 -3.536 -4.605 1.00 0.00 C ATOM 350 CE1 PHE A 23 1.224 -5.934 -5.885 1.00 0.00 C ATOM 351 CE2 PHE A 23 0.860 -3.529 -5.965 1.00 0.00 C ATOM 352 CZ PHE A 23 1.222 -4.727 -6.606 1.00 0.00 C ATOM 0 HA PHE A 23 -1.864 -5.193 -3.046 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.462 -3.800 -1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.737 -5.530 -1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.868 -6.871 -3.974 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.227 -2.614 -4.116 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.499 -6.856 -6.376 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.855 -2.602 -6.519 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.498 -4.720 -7.650 1.00 0.00 H new ATOM 362 N ARG A 24 -1.306 -6.070 0.109 1.00 0.00 N ATOM 363 CA ARG A 24 -1.469 -7.105 1.163 1.00 0.00 C ATOM 364 C ARG A 24 -0.990 -8.518 0.767 1.00 0.00 C ATOM 365 O ARG A 24 -1.606 -9.527 1.110 1.00 0.00 O ATOM 366 CB ARG A 24 -2.884 -7.026 1.789 1.00 0.00 C ATOM 367 CG ARG A 24 -4.104 -6.998 0.850 1.00 0.00 C ATOM 368 CD ARG A 24 -4.406 -8.317 0.131 1.00 0.00 C ATOM 369 NE ARG A 24 -5.578 -8.169 -0.753 1.00 0.00 N ATOM 370 CZ ARG A 24 -5.595 -7.952 -2.054 1.00 0.00 C ATOM 371 NH1 ARG A 24 -4.516 -7.836 -2.776 1.00 0.00 N ATOM 372 NH2 ARG A 24 -6.745 -7.838 -2.644 1.00 0.00 N ATOM 0 H ARG A 24 -0.981 -5.185 0.499 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.767 -6.866 1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.999 -7.880 2.456 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.922 -6.130 2.409 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.981 -6.710 1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.948 -6.222 0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.539 -8.626 -0.454 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.593 -9.102 0.863 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.490 -8.244 -0.301 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.598 -7.913 -2.338 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.589 -7.668 -3.779 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.606 -7.916 -2.103 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.788 -7.670 -3.649 1.00 0.00 H new ATOM 386 N LEU A 25 0.105 -8.570 0.001 1.00 0.00 N ATOM 387 CA LEU A 25 0.559 -9.748 -0.752 1.00 0.00 C ATOM 388 C LEU A 25 1.091 -10.900 0.126 1.00 0.00 C ATOM 389 O LEU A 25 1.011 -12.066 -0.263 1.00 0.00 O ATOM 390 CB LEU A 25 1.642 -9.264 -1.740 1.00 0.00 C ATOM 391 CG LEU A 25 1.989 -10.250 -2.872 1.00 0.00 C ATOM 392 CD1 LEU A 25 0.817 -10.459 -3.836 1.00 0.00 C ATOM 393 CD2 LEU A 25 3.168 -9.706 -3.680 1.00 0.00 C ATOM 0 H LEU A 25 0.722 -7.766 -0.117 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.301 -10.177 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.310 -8.326 -2.186 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.551 -9.046 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 25 2.232 -11.203 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.109 -11.162 -4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.037 -10.858 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.544 -9.506 -4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.413 -10.404 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.900 -8.741 -4.109 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.032 -9.585 -3.027 1.00 0.00 H new ATOM 424 N GLY A 27 2.360 -11.804 4.688 1.00 0.00 N ATOM 425 CA GLY A 27 2.082 -11.470 6.095 1.00 0.00 C ATOM 426 C GLY A 27 2.982 -12.121 7.152 1.00 0.00 C ATOM 427 O GLY A 27 2.717 -11.967 8.345 1.00 0.00 O ATOM 0 HA2 GLY A 27 2.154 -10.388 6.208 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.050 -11.745 6.312 1.00 0.00 H new ATOM 431 N ALA A 28 4.049 -12.824 6.754 1.00 0.00 N ATOM 432 CA ALA A 28 5.003 -13.442 7.685 1.00 0.00 C ATOM 433 C ALA A 28 5.803 -12.421 8.530 1.00 0.00 C ATOM 434 O ALA A 28 6.263 -12.755 9.627 1.00 0.00 O ATOM 435 CB ALA A 28 5.945 -14.344 6.876 1.00 0.00 C ATOM 0 H ALA A 28 4.277 -12.981 5.772 1.00 0.00 H new ATOM 0 HA ALA A 28 4.435 -14.023 8.411 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.664 -14.815 7.547 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.364 -15.114 6.368 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.477 -13.745 6.137 1.00 0.00 H new ATOM 441 N SER A 29 5.953 -11.182 8.037 1.00 0.00 N ATOM 442 CA SER A 29 6.804 -10.130 8.630 1.00 0.00 C ATOM 443 C SER A 29 6.231 -8.703 8.482 1.00 0.00 C ATOM 444 O SER A 29 6.971 -7.727 8.628 1.00 0.00 O ATOM 445 CB SER A 29 8.213 -10.186 8.004 1.00 0.00 C ATOM 446 OG SER A 29 8.805 -11.475 8.101 1.00 0.00 O ATOM 0 H SER A 29 5.474 -10.872 7.192 1.00 0.00 H new ATOM 0 HA SER A 29 6.844 -10.338 9.699 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.152 -9.897 6.955 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.855 -9.457 8.499 1.00 0.00 H new ATOM 0 HG SER A 29 9.694 -11.458 7.689 1.00 0.00 H new ATOM 452 N GLY A 30 4.935 -8.543 8.172 1.00 0.00 N ATOM 453 CA GLY A 30 4.334 -7.225 7.910 1.00 0.00 C ATOM 454 C GLY A 30 2.797 -7.189 7.795 1.00 0.00 C ATOM 455 O GLY A 30 2.139 -8.236 7.856 1.00 0.00 O ATOM 0 H GLY A 30 4.277 -9.319 8.096 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.634 -6.547 8.709 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.756 -6.834 6.984 1.00 0.00 H new ATOM 459 N PRO A 31 2.209 -5.982 7.644 1.00 0.00 N ATOM 460 CA PRO A 31 0.760 -5.761 7.639 1.00 0.00 C ATOM 461 C PRO A 31 0.064 -6.411 6.429 1.00 0.00 C ATOM 462 O PRO A 31 0.540 -6.312 5.297 1.00 0.00 O ATOM 463 CB PRO A 31 0.579 -4.237 7.659 1.00 0.00 C ATOM 464 CG PRO A 31 1.877 -3.697 7.056 1.00 0.00 C ATOM 465 CD PRO A 31 2.918 -4.714 7.513 1.00 0.00 C ATOM 0 HA PRO A 31 0.290 -6.232 8.502 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.289 -3.931 7.075 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.427 -3.867 8.673 1.00 0.00 H new ATOM 0 HG2 PRO A 31 1.822 -3.636 5.969 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.105 -2.695 7.420 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.730 -4.794 6.790 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.364 -4.416 8.462 1.00 0.00 H new ATOM 473 N ASN A 32 -1.066 -7.087 6.679 1.00 0.00 N ATOM 474 CA ASN A 32 -1.748 -7.935 5.685 1.00 0.00 C ATOM 475 C ASN A 32 -3.273 -8.126 5.897 1.00 0.00 C ATOM 476 O ASN A 32 -3.900 -8.892 5.162 1.00 0.00 O ATOM 477 CB ASN A 32 -1.014 -9.294 5.648 1.00 0.00 C ATOM 478 CG ASN A 32 -1.149 -10.092 6.936 1.00 0.00 C ATOM 479 OD1 ASN A 32 -2.051 -10.898 7.105 1.00 0.00 O ATOM 480 ND2 ASN A 32 -0.265 -9.901 7.890 1.00 0.00 N ATOM 0 H ASN A 32 -1.538 -7.062 7.583 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.693 -7.416 4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.404 -9.886 4.820 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.043 -9.122 5.446 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.336 -10.424 8.763 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.492 -9.230 7.757 1.00 0.00 H new ATOM 487 N LYS A 33 -3.886 -7.454 6.886 1.00 0.00 N ATOM 488 CA LYS A 33 -5.264 -7.725 7.370 1.00 0.00 C ATOM 489 C LYS A 33 -6.305 -6.669 6.950 1.00 0.00 C ATOM 490 O LYS A 33 -7.405 -6.629 7.505 1.00 0.00 O ATOM 491 CB LYS A 33 -5.239 -7.918 8.904 1.00 0.00 C ATOM 492 CG LYS A 33 -4.376 -9.090 9.408 1.00 0.00 C ATOM 493 CD LYS A 33 -4.859 -10.459 8.903 1.00 0.00 C ATOM 494 CE LYS A 33 -4.051 -11.579 9.570 1.00 0.00 C ATOM 495 NZ LYS A 33 -4.415 -12.912 9.023 1.00 0.00 N ATOM 0 H LYS A 33 -3.433 -6.689 7.387 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.595 -8.642 6.884 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.876 -6.998 9.363 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.262 -8.066 9.251 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.345 -8.936 9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.377 -9.091 10.498 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.919 -10.584 9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.749 -10.516 7.820 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.986 -11.401 9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.227 -11.565 10.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.851 -13.647 9.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.426 -13.091 9.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.224 -12.932 8.001 1.00 0.00 H new ATOM 509 N LYS A 34 -5.971 -5.813 5.978 1.00 0.00 N ATOM 510 CA LYS A 34 -6.798 -4.691 5.482 1.00 0.00 C ATOM 511 C LYS A 34 -6.798 -4.626 3.950 1.00 0.00 C ATOM 512 O LYS A 34 -5.919 -5.187 3.302 1.00 0.00 O ATOM 513 CB LYS A 34 -6.275 -3.372 6.089 1.00 0.00 C ATOM 514 CG LYS A 34 -6.700 -3.196 7.555 1.00 0.00 C ATOM 515 CD LYS A 34 -6.088 -1.923 8.160 1.00 0.00 C ATOM 516 CE LYS A 34 -6.711 -1.550 9.515 1.00 0.00 C ATOM 517 NZ LYS A 34 -6.496 -2.587 10.560 1.00 0.00 N ATOM 0 H LYS A 34 -5.078 -5.881 5.489 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.830 -4.850 5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.187 -3.351 6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.646 -2.532 5.502 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.787 -3.146 7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.387 -4.065 8.134 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.015 -2.065 8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.221 -1.095 7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.287 -0.606 9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.781 -1.390 9.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.938 -2.280 11.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.924 -3.484 10.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.476 -2.723 10.709 1.00 0.00 H new ATOM 531 N GLU A 35 -7.774 -3.915 3.386 1.00 0.00 N ATOM 532 CA GLU A 35 -7.919 -3.645 1.944 1.00 0.00 C ATOM 533 C GLU A 35 -8.491 -2.235 1.704 1.00 0.00 C ATOM 534 O GLU A 35 -9.216 -1.704 2.553 1.00 0.00 O ATOM 535 CB GLU A 35 -8.827 -4.692 1.267 1.00 0.00 C ATOM 536 CG GLU A 35 -8.251 -6.117 1.292 1.00 0.00 C ATOM 537 CD GLU A 35 -9.064 -7.096 0.425 1.00 0.00 C ATOM 538 OE1 GLU A 35 -8.466 -7.732 -0.479 1.00 0.00 O ATOM 539 OE2 GLU A 35 -10.290 -7.257 0.652 1.00 0.00 O ATOM 0 H GLU A 35 -8.519 -3.491 3.939 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.925 -3.707 1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.798 -4.693 1.763 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.998 -4.397 0.232 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.220 -6.095 0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.229 -6.479 2.320 1.00 0.00 H new ATOM 546 N SER A 36 -8.174 -1.638 0.548 1.00 0.00 N ATOM 547 CA SER A 36 -8.546 -0.271 0.139 1.00 0.00 C ATOM 548 C SER A 36 -10.054 0.035 0.180 1.00 0.00 C ATOM 549 O SER A 36 -10.884 -0.836 -0.099 1.00 0.00 O ATOM 550 CB SER A 36 -8.048 -0.006 -1.289 1.00 0.00 C ATOM 551 OG SER A 36 -6.668 -0.311 -1.423 1.00 0.00 O ATOM 0 H SER A 36 -7.624 -2.116 -0.165 1.00 0.00 H new ATOM 0 HA SER A 36 -8.073 0.381 0.874 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.624 -0.605 -1.994 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.217 1.039 -1.547 1.00 0.00 H new ATOM 0 HG SER A 36 -6.382 -0.134 -2.343 1.00 0.00 H new ATOM 557 N ARG A 37 -10.403 1.301 0.461 1.00 0.00 N ATOM 558 CA ARG A 37 -11.779 1.840 0.594 1.00 0.00 C ATOM 559 C ARG A 37 -11.916 3.218 -0.085 1.00 0.00 C ATOM 560 O ARG A 37 -10.928 3.773 -0.573 1.00 0.00 O ATOM 561 CB ARG A 37 -12.170 1.938 2.091 1.00 0.00 C ATOM 562 CG ARG A 37 -11.937 0.673 2.937 1.00 0.00 C ATOM 563 CD ARG A 37 -12.786 -0.531 2.503 1.00 0.00 C ATOM 564 NE ARG A 37 -12.172 -1.794 2.951 1.00 0.00 N ATOM 565 CZ ARG A 37 -12.712 -2.998 2.918 1.00 0.00 C ATOM 566 NH1 ARG A 37 -13.905 -3.214 2.441 1.00 0.00 N ATOM 567 NH2 ARG A 37 -12.049 -4.024 3.369 1.00 0.00 N ATOM 0 H ARG A 37 -9.697 2.022 0.611 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.458 1.153 0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.609 2.758 2.539 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.226 2.202 2.153 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.883 0.400 2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.154 0.901 3.981 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.790 -0.442 2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.889 -0.537 1.418 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.226 -1.731 3.328 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.456 -2.438 2.076 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.288 -4.160 2.433 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.111 -3.898 3.749 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.468 -4.954 3.343 1.00 0.00 H new ATOM 581 N GLY A 38 -13.126 3.783 -0.103 1.00 0.00 N ATOM 582 CA GLY A 38 -13.422 5.099 -0.691 1.00 0.00 C ATOM 583 C GLY A 38 -14.814 5.646 -0.339 1.00 0.00 C ATOM 584 O GLY A 38 -15.572 5.017 0.406 1.00 0.00 O ATOM 0 H GLY A 38 -13.947 3.331 0.299 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.668 5.812 -0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -13.335 5.028 -1.775 1.00 0.00 H new ATOM 588 N ARG A 39 -15.150 6.827 -0.883 1.00 0.00 N ATOM 589 CA ARG A 39 -16.388 7.593 -0.594 1.00 0.00 C ATOM 590 C ARG A 39 -17.212 7.991 -1.836 1.00 0.00 C ATOM 591 O ARG A 39 -18.228 8.677 -1.702 1.00 0.00 O ATOM 592 CB ARG A 39 -16.031 8.827 0.267 1.00 0.00 C ATOM 593 CG ARG A 39 -15.753 8.461 1.734 1.00 0.00 C ATOM 594 CD ARG A 39 -15.503 9.726 2.566 1.00 0.00 C ATOM 595 NE ARG A 39 -15.509 9.434 4.015 1.00 0.00 N ATOM 596 CZ ARG A 39 -15.503 10.320 4.996 1.00 0.00 C ATOM 597 NH1 ARG A 39 -15.411 11.602 4.775 1.00 0.00 N ATOM 598 NH2 ARG A 39 -15.594 9.932 6.236 1.00 0.00 N ATOM 0 H ARG A 39 -14.550 7.297 -1.561 1.00 0.00 H new ATOM 0 HA ARG A 39 -17.048 6.922 -0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -15.154 9.318 -0.154 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -16.850 9.545 0.224 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -16.600 7.910 2.144 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -14.886 7.803 1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -14.544 10.163 2.286 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -16.269 10.468 2.341 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.519 8.450 4.285 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -15.340 11.951 3.819 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.410 12.256 5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.671 8.939 6.455 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.589 10.621 6.988 1.00 0.00 H new ATOM 612 N GLY A 40 -16.814 7.558 -3.037 1.00 0.00 N ATOM 613 CA GLY A 40 -17.514 7.879 -4.293 1.00 0.00 C ATOM 614 C GLY A 40 -17.077 7.085 -5.537 1.00 0.00 C ATOM 615 O GLY A 40 -17.467 7.423 -6.654 1.00 0.00 O ATOM 0 H GLY A 40 -15.991 6.970 -3.170 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -18.581 7.718 -4.141 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -17.378 8.941 -4.499 1.00 0.00 H new