USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=7 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 Set 1.1: A 32 ASN : amide:sc= 1.15 K(o=1.8,f=-5.2!) USER MOD Set 1.2: A 33 LYS NZ :NH3+ -169:sc= 0.69 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 75:sc= 0.843 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 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 17.208 9.035 -3.588 1.00 0.00 N ATOM 20 CA VAL A 2 17.909 9.321 -2.308 1.00 0.00 C ATOM 21 C VAL A 2 17.797 8.142 -1.320 1.00 0.00 C ATOM 22 O VAL A 2 17.823 8.314 -0.102 1.00 0.00 O ATOM 23 CB VAL A 2 17.428 10.654 -1.681 1.00 0.00 C ATOM 24 CG1 VAL A 2 17.776 11.852 -2.572 1.00 0.00 C ATOM 25 CG2 VAL A 2 15.919 10.685 -1.395 1.00 0.00 C ATOM 0 HA VAL A 2 18.968 9.441 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 2 17.957 10.724 -0.730 1.00 0.00 H new ATOM 0 HG11 VAL A 2 17.424 12.770 -2.101 1.00 0.00 H new ATOM 0 HG12 VAL A 2 18.856 11.904 -2.706 1.00 0.00 H new ATOM 0 HG13 VAL A 2 17.295 11.735 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 2 15.651 11.647 -0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 2 15.369 10.545 -2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 2 15.664 9.886 -0.699 1.00 0.00 H new ATOM 35 N PHE A 3 17.604 6.928 -1.855 1.00 0.00 N ATOM 36 CA PHE A 3 17.284 5.682 -1.139 1.00 0.00 C ATOM 37 C PHE A 3 16.156 5.807 -0.084 1.00 0.00 C ATOM 38 O PHE A 3 16.145 5.114 0.934 1.00 0.00 O ATOM 39 CB PHE A 3 18.580 5.017 -0.632 1.00 0.00 C ATOM 40 CG PHE A 3 18.568 3.506 -0.790 1.00 0.00 C ATOM 41 CD1 PHE A 3 18.201 2.668 0.281 1.00 0.00 C ATOM 42 CD2 PHE A 3 18.897 2.937 -2.037 1.00 0.00 C ATOM 43 CE1 PHE A 3 18.156 1.273 0.103 1.00 0.00 C ATOM 44 CE2 PHE A 3 18.853 1.541 -2.214 1.00 0.00 C ATOM 45 CZ PHE A 3 18.480 0.709 -1.144 1.00 0.00 C ATOM 0 H PHE A 3 17.671 6.779 -2.862 1.00 0.00 H new ATOM 0 HA PHE A 3 16.831 5.000 -1.859 1.00 0.00 H new ATOM 0 HB2 PHE A 3 19.430 5.428 -1.176 1.00 0.00 H new ATOM 0 HB3 PHE A 3 18.724 5.267 0.419 1.00 0.00 H new ATOM 0 HD1 PHE A 3 17.954 3.097 1.241 1.00 0.00 H new ATOM 0 HD2 PHE A 3 19.184 3.575 -2.860 1.00 0.00 H new ATOM 0 HE1 PHE A 3 17.872 0.634 0.926 1.00 0.00 H new ATOM 0 HE2 PHE A 3 19.106 1.110 -3.171 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.442 -0.362 -1.279 1.00 0.00 H new ATOM 55 N TYR A 4 15.191 6.700 -0.349 1.00 0.00 N ATOM 56 CA TYR A 4 13.956 6.923 0.423 1.00 0.00 C ATOM 57 C TYR A 4 14.151 7.232 1.924 1.00 0.00 C ATOM 58 O TYR A 4 13.243 7.008 2.728 1.00 0.00 O ATOM 59 CB TYR A 4 12.978 5.763 0.153 1.00 0.00 C ATOM 60 CG TYR A 4 12.761 5.475 -1.323 1.00 0.00 C ATOM 61 CD1 TYR A 4 11.958 6.335 -2.097 1.00 0.00 C ATOM 62 CD2 TYR A 4 13.399 4.373 -1.932 1.00 0.00 C ATOM 63 CE1 TYR A 4 11.792 6.099 -3.475 1.00 0.00 C ATOM 64 CE2 TYR A 4 13.236 4.134 -3.311 1.00 0.00 C ATOM 65 CZ TYR A 4 12.431 4.998 -4.087 1.00 0.00 C ATOM 66 OH TYR A 4 12.269 4.779 -5.422 1.00 0.00 O ATOM 0 H TYR A 4 15.254 7.323 -1.154 1.00 0.00 H new ATOM 0 HA TYR A 4 13.520 7.855 0.062 1.00 0.00 H new ATOM 0 HB2 TYR A 4 13.355 4.862 0.638 1.00 0.00 H new ATOM 0 HB3 TYR A 4 12.018 5.995 0.613 1.00 0.00 H new ATOM 0 HD1 TYR A 4 11.468 7.178 -1.632 1.00 0.00 H new ATOM 0 HD2 TYR A 4 14.014 3.711 -1.340 1.00 0.00 H new ATOM 0 HE1 TYR A 4 11.175 6.761 -4.065 1.00 0.00 H new ATOM 0 HE2 TYR A 4 13.726 3.291 -3.775 1.00 0.00 H new ATOM 0 HH TYR A 4 12.775 3.983 -5.687 1.00 0.00 H new ATOM 76 N VAL A 5 15.314 7.764 2.325 1.00 0.00 N ATOM 77 CA VAL A 5 15.644 8.047 3.739 1.00 0.00 C ATOM 78 C VAL A 5 14.653 8.996 4.428 1.00 0.00 C ATOM 79 O VAL A 5 14.293 8.770 5.584 1.00 0.00 O ATOM 80 CB VAL A 5 17.091 8.559 3.912 1.00 0.00 C ATOM 81 CG1 VAL A 5 18.102 7.491 3.476 1.00 0.00 C ATOM 82 CG2 VAL A 5 17.391 9.862 3.156 1.00 0.00 C ATOM 0 H VAL A 5 16.061 8.014 1.677 1.00 0.00 H new ATOM 0 HA VAL A 5 15.557 7.083 4.241 1.00 0.00 H new ATOM 0 HB VAL A 5 17.190 8.774 4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 5 19.114 7.873 3.606 1.00 0.00 H new ATOM 0 HG12 VAL A 5 17.971 6.596 4.084 1.00 0.00 H new ATOM 0 HG13 VAL A 5 17.940 7.243 2.427 1.00 0.00 H new ATOM 0 HG21 VAL A 5 18.427 10.153 3.330 1.00 0.00 H new ATOM 0 HG22 VAL A 5 17.231 9.708 2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 5 16.728 10.650 3.512 1.00 0.00 H new ATOM 92 N ALA A 6 14.153 10.017 3.721 1.00 0.00 N ATOM 93 CA ALA A 6 13.147 10.947 4.244 1.00 0.00 C ATOM 94 C ALA A 6 11.765 10.285 4.393 1.00 0.00 C ATOM 95 O ALA A 6 11.114 10.438 5.428 1.00 0.00 O ATOM 96 CB ALA A 6 13.086 12.170 3.318 1.00 0.00 C ATOM 0 H ALA A 6 14.438 10.222 2.763 1.00 0.00 H new ATOM 0 HA ALA A 6 13.439 11.258 5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 6 12.342 12.873 3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.062 12.655 3.291 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.811 11.852 2.312 1.00 0.00 H new ATOM 102 N LEU A 7 11.344 9.487 3.405 1.00 0.00 N ATOM 103 CA LEU A 7 10.099 8.706 3.449 1.00 0.00 C ATOM 104 C LEU A 7 10.108 7.747 4.655 1.00 0.00 C ATOM 105 O LEU A 7 9.151 7.676 5.424 1.00 0.00 O ATOM 106 CB LEU A 7 9.941 7.973 2.098 1.00 0.00 C ATOM 107 CG LEU A 7 8.511 7.542 1.708 1.00 0.00 C ATOM 108 CD1 LEU A 7 8.537 6.989 0.281 1.00 0.00 C ATOM 109 CD2 LEU A 7 7.906 6.460 2.605 1.00 0.00 C ATOM 0 H LEU A 7 11.866 9.363 2.538 1.00 0.00 H new ATOM 0 HA LEU A 7 9.236 9.357 3.589 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.328 8.621 1.312 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.571 7.084 2.117 1.00 0.00 H new ATOM 0 HG LEU A 7 7.892 8.433 1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 7 7.532 6.680 -0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.890 7.762 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.207 6.131 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.901 6.219 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 7 8.528 5.565 2.566 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.858 6.823 3.631 1.00 0.00 H new ATOM 121 N THR A 8 11.239 7.077 4.876 1.00 0.00 N ATOM 122 CA THR A 8 11.471 6.149 5.997 1.00 0.00 C ATOM 123 C THR A 8 11.451 6.835 7.379 1.00 0.00 C ATOM 124 O THR A 8 11.225 6.161 8.385 1.00 0.00 O ATOM 125 CB THR A 8 12.793 5.377 5.783 1.00 0.00 C ATOM 126 OG1 THR A 8 12.820 4.793 4.494 1.00 0.00 O ATOM 127 CG2 THR A 8 12.994 4.206 6.748 1.00 0.00 C ATOM 0 H THR A 8 12.049 7.164 4.263 1.00 0.00 H new ATOM 0 HA THR A 8 10.636 5.448 6.001 1.00 0.00 H new ATOM 0 HB THR A 8 13.570 6.125 5.939 1.00 0.00 H new ATOM 0 HG1 THR A 8 12.993 5.487 3.824 1.00 0.00 H new ATOM 0 HG21 THR A 8 13.944 3.716 6.533 1.00 0.00 H new ATOM 0 HG22 THR A 8 13.001 4.576 7.773 1.00 0.00 H new ATOM 0 HG23 THR A 8 12.181 3.490 6.626 1.00 0.00 H new ATOM 135 N ALA A 9 11.622 8.164 7.452 1.00 0.00 N ATOM 136 CA ALA A 9 11.795 8.908 8.706 1.00 0.00 C ATOM 137 C ALA A 9 10.690 9.957 8.954 1.00 0.00 C ATOM 138 O ALA A 9 9.820 9.736 9.798 1.00 0.00 O ATOM 139 CB ALA A 9 13.204 9.523 8.704 1.00 0.00 C ATOM 0 H ALA A 9 11.644 8.761 6.625 1.00 0.00 H new ATOM 0 HA ALA A 9 11.695 8.217 9.543 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.358 10.082 9.627 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.947 8.729 8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 9 13.307 10.194 7.851 1.00 0.00 H new ATOM 145 N VAL A 10 10.678 11.076 8.219 1.00 0.00 N ATOM 146 CA VAL A 10 9.689 12.166 8.396 1.00 0.00 C ATOM 147 C VAL A 10 8.304 11.849 7.816 1.00 0.00 C ATOM 148 O VAL A 10 7.327 12.493 8.204 1.00 0.00 O ATOM 149 CB VAL A 10 10.195 13.524 7.869 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.294 14.076 8.786 1.00 0.00 C ATOM 151 CG2 VAL A 10 10.726 13.476 6.433 1.00 0.00 C ATOM 0 H VAL A 10 11.355 11.259 7.478 1.00 0.00 H new ATOM 0 HA VAL A 10 9.569 12.245 9.477 1.00 0.00 H new ATOM 0 HB VAL A 10 9.324 14.179 7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.641 15.035 8.401 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.895 14.211 9.791 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.128 13.374 8.818 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.063 14.469 6.136 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.561 12.778 6.377 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.932 13.146 5.762 1.00 0.00 H new ATOM 180 N VAL A 12 7.424 8.503 8.227 1.00 0.00 N ATOM 181 CA VAL A 12 7.305 7.306 9.090 1.00 0.00 C ATOM 182 C VAL A 12 7.148 5.960 8.354 1.00 0.00 C ATOM 183 O VAL A 12 6.451 5.058 8.821 1.00 0.00 O ATOM 184 CB VAL A 12 6.261 7.518 10.215 1.00 0.00 C ATOM 185 CG1 VAL A 12 6.653 8.703 11.109 1.00 0.00 C ATOM 186 CG2 VAL A 12 4.827 7.748 9.716 1.00 0.00 C ATOM 0 HA VAL A 12 8.283 7.204 9.560 1.00 0.00 H new ATOM 0 HB VAL A 12 6.267 6.582 10.774 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.905 8.832 11.891 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.624 8.510 11.564 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.709 9.610 10.507 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.163 7.887 10.569 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.799 8.637 9.086 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.500 6.884 9.138 1.00 0.00 H new ATOM 196 N ALA A 13 7.805 5.816 7.197 1.00 0.00 N ATOM 197 CA ALA A 13 7.719 4.659 6.301 1.00 0.00 C ATOM 198 C ALA A 13 6.274 4.298 5.878 1.00 0.00 C ATOM 199 O ALA A 13 5.940 3.120 5.739 1.00 0.00 O ATOM 200 CB ALA A 13 8.516 3.486 6.899 1.00 0.00 C ATOM 0 H ALA A 13 8.438 6.534 6.845 1.00 0.00 H new ATOM 0 HA ALA A 13 8.185 4.928 5.353 1.00 0.00 H new ATOM 0 HB1 ALA A 13 8.452 2.626 6.233 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.560 3.778 7.016 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.101 3.223 7.872 1.00 0.00 H new ATOM 206 N VAL A 14 5.411 5.303 5.662 1.00 0.00 N ATOM 207 CA VAL A 14 3.993 5.163 5.258 1.00 0.00 C ATOM 208 C VAL A 14 3.744 4.146 4.130 1.00 0.00 C ATOM 209 O VAL A 14 2.739 3.434 4.153 1.00 0.00 O ATOM 210 CB VAL A 14 3.385 6.546 4.932 1.00 0.00 C ATOM 211 CG1 VAL A 14 4.048 7.242 3.733 1.00 0.00 C ATOM 212 CG2 VAL A 14 1.874 6.478 4.688 1.00 0.00 C ATOM 0 H VAL A 14 5.689 6.279 5.767 1.00 0.00 H new ATOM 0 HA VAL A 14 3.476 4.741 6.120 1.00 0.00 H new ATOM 0 HB VAL A 14 3.583 7.141 5.824 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.570 8.207 3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.107 7.393 3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.937 6.620 2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.496 7.476 4.463 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.671 5.815 3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.378 6.095 5.580 1.00 0.00 H new ATOM 222 N ALA A 15 4.684 4.009 3.187 1.00 0.00 N ATOM 223 CA ALA A 15 4.631 3.037 2.093 1.00 0.00 C ATOM 224 C ALA A 15 4.482 1.569 2.554 1.00 0.00 C ATOM 225 O ALA A 15 3.822 0.787 1.869 1.00 0.00 O ATOM 226 CB ALA A 15 5.883 3.223 1.226 1.00 0.00 C ATOM 0 H ALA A 15 5.524 4.587 3.165 1.00 0.00 H new ATOM 0 HA ALA A 15 3.726 3.234 1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.865 2.508 0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.901 4.237 0.826 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.773 3.056 1.832 1.00 0.00 H new ATOM 232 N LEU A 16 5.033 1.194 3.717 1.00 0.00 N ATOM 233 CA LEU A 16 4.878 -0.141 4.317 1.00 0.00 C ATOM 234 C LEU A 16 3.402 -0.447 4.622 1.00 0.00 C ATOM 235 O LEU A 16 2.858 -1.465 4.192 1.00 0.00 O ATOM 236 CB LEU A 16 5.734 -0.190 5.603 1.00 0.00 C ATOM 237 CG LEU A 16 5.654 -1.504 6.402 1.00 0.00 C ATOM 238 CD1 LEU A 16 6.242 -2.687 5.633 1.00 0.00 C ATOM 239 CD2 LEU A 16 6.418 -1.354 7.719 1.00 0.00 C ATOM 0 H LEU A 16 5.610 1.821 4.278 1.00 0.00 H new ATOM 0 HA LEU A 16 5.217 -0.903 3.615 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.775 -0.012 5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.429 0.630 6.253 1.00 0.00 H new ATOM 0 HG LEU A 16 4.598 -1.704 6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 16 6.162 -3.590 6.238 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.693 -2.825 4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 16 7.291 -2.491 5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.359 -2.286 8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.462 -1.122 7.509 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.978 -0.548 8.305 1.00 0.00 H new ATOM 251 N TYR A 17 2.749 0.463 5.346 1.00 0.00 N ATOM 252 CA TYR A 17 1.351 0.346 5.763 1.00 0.00 C ATOM 253 C TYR A 17 0.383 0.489 4.578 1.00 0.00 C ATOM 254 O TYR A 17 -0.618 -0.228 4.509 1.00 0.00 O ATOM 255 CB TYR A 17 1.065 1.402 6.842 1.00 0.00 C ATOM 256 CG TYR A 17 2.033 1.361 8.014 1.00 0.00 C ATOM 257 CD1 TYR A 17 1.825 0.460 9.076 1.00 0.00 C ATOM 258 CD2 TYR A 17 3.163 2.207 8.026 1.00 0.00 C ATOM 259 CE1 TYR A 17 2.737 0.410 10.150 1.00 0.00 C ATOM 260 CE2 TYR A 17 4.077 2.159 9.094 1.00 0.00 C ATOM 261 CZ TYR A 17 3.865 1.261 10.163 1.00 0.00 C ATOM 262 OH TYR A 17 4.739 1.210 11.206 1.00 0.00 O ATOM 0 H TYR A 17 3.190 1.325 5.667 1.00 0.00 H new ATOM 0 HA TYR A 17 1.190 -0.651 6.173 1.00 0.00 H new ATOM 0 HB2 TYR A 17 1.102 2.392 6.387 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.051 1.261 7.216 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.965 -0.194 9.068 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.327 2.895 7.210 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.573 -0.280 10.964 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.940 2.808 9.096 1.00 0.00 H new ATOM 0 HH TYR A 17 5.460 1.858 11.061 1.00 0.00 H new ATOM 272 N ALA A 18 0.707 1.360 3.614 1.00 0.00 N ATOM 273 CA ALA A 18 -0.036 1.509 2.364 1.00 0.00 C ATOM 274 C ALA A 18 0.019 0.233 1.505 1.00 0.00 C ATOM 275 O ALA A 18 -1.029 -0.288 1.122 1.00 0.00 O ATOM 276 CB ALA A 18 0.506 2.728 1.610 1.00 0.00 C ATOM 0 H ALA A 18 1.506 1.990 3.685 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.090 1.668 2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.041 2.850 0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.380 3.620 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.565 2.582 1.395 1.00 0.00 H new ATOM 282 N TYR A 19 1.205 -0.341 1.261 1.00 0.00 N ATOM 283 CA TYR A 19 1.343 -1.636 0.576 1.00 0.00 C ATOM 284 C TYR A 19 0.587 -2.750 1.319 1.00 0.00 C ATOM 285 O TYR A 19 -0.082 -3.575 0.697 1.00 0.00 O ATOM 286 CB TYR A 19 2.831 -1.979 0.410 1.00 0.00 C ATOM 287 CG TYR A 19 3.098 -3.180 -0.482 1.00 0.00 C ATOM 288 CD1 TYR A 19 3.162 -4.477 0.066 1.00 0.00 C ATOM 289 CD2 TYR A 19 3.285 -2.993 -1.868 1.00 0.00 C ATOM 290 CE1 TYR A 19 3.407 -5.586 -0.769 1.00 0.00 C ATOM 291 CE2 TYR A 19 3.536 -4.098 -2.704 1.00 0.00 C ATOM 292 CZ TYR A 19 3.595 -5.399 -2.157 1.00 0.00 C ATOM 293 OH TYR A 19 3.828 -6.475 -2.958 1.00 0.00 O ATOM 0 H TYR A 19 2.095 0.077 1.532 1.00 0.00 H new ATOM 0 HA TYR A 19 0.892 -1.556 -0.413 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.348 -1.112 -0.002 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.261 -2.169 1.394 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.023 -4.621 1.127 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.235 -2.000 -2.289 1.00 0.00 H new ATOM 0 HE1 TYR A 19 3.451 -6.579 -0.348 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.683 -3.951 -3.764 1.00 0.00 H new ATOM 0 HH TYR A 19 3.934 -6.176 -3.885 1.00 0.00 H new ATOM 303 N GLY A 20 0.590 -2.708 2.655 1.00 0.00 N ATOM 304 CA GLY A 20 -0.161 -3.600 3.544 1.00 0.00 C ATOM 305 C GLY A 20 -1.696 -3.540 3.459 1.00 0.00 C ATOM 306 O GLY A 20 -2.354 -4.278 4.195 1.00 0.00 O ATOM 0 H GLY A 20 1.141 -2.020 3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 20 0.150 -4.624 3.338 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.130 -3.379 4.571 1.00 0.00 H new ATOM 310 N LEU A 21 -2.274 -2.717 2.570 1.00 0.00 N ATOM 311 CA LEU A 21 -3.707 -2.742 2.230 1.00 0.00 C ATOM 312 C LEU A 21 -4.011 -2.530 0.733 1.00 0.00 C ATOM 313 O LEU A 21 -4.979 -3.096 0.224 1.00 0.00 O ATOM 314 CB LEU A 21 -4.469 -1.766 3.152 1.00 0.00 C ATOM 315 CG LEU A 21 -4.287 -0.259 2.874 1.00 0.00 C ATOM 316 CD1 LEU A 21 -5.363 0.286 1.928 1.00 0.00 C ATOM 317 CD2 LEU A 21 -4.396 0.531 4.180 1.00 0.00 C ATOM 0 H LEU A 21 -1.752 -2.005 2.059 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.070 -3.753 2.413 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.532 -1.997 3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.163 -1.961 4.180 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.305 -0.144 2.415 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.195 1.350 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.313 -0.243 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.347 0.139 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.266 1.594 3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.377 0.365 4.625 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.622 0.198 4.872 1.00 0.00 H new ATOM 342 N PHE A 23 -1.976 -3.671 -1.615 1.00 0.00 N ATOM 343 CA PHE A 23 -1.437 -4.904 -2.205 1.00 0.00 C ATOM 344 C PHE A 23 -1.662 -6.126 -1.301 1.00 0.00 C ATOM 345 O PHE A 23 -2.134 -7.153 -1.792 1.00 0.00 O ATOM 346 CB PHE A 23 0.064 -4.722 -2.508 1.00 0.00 C ATOM 347 CG PHE A 23 0.400 -4.646 -3.984 1.00 0.00 C ATOM 348 CD1 PHE A 23 0.487 -5.828 -4.744 1.00 0.00 C ATOM 349 CD2 PHE A 23 0.656 -3.403 -4.595 1.00 0.00 C ATOM 350 CE1 PHE A 23 0.838 -5.772 -6.103 1.00 0.00 C ATOM 351 CE2 PHE A 23 1.010 -3.347 -5.956 1.00 0.00 C ATOM 352 CZ PHE A 23 1.103 -4.531 -6.710 1.00 0.00 C ATOM 0 HA PHE A 23 -1.976 -5.094 -3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.413 -3.811 -2.021 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.615 -5.551 -2.065 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.283 -6.782 -4.280 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.581 -2.493 -4.019 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.904 -6.681 -6.682 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.211 -2.394 -6.422 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.378 -4.487 -7.754 1.00 0.00 H new ATOM 362 N ARG A 24 -1.381 -6.011 0.010 1.00 0.00 N ATOM 363 CA ARG A 24 -1.529 -7.050 1.063 1.00 0.00 C ATOM 364 C ARG A 24 -1.089 -8.467 0.643 1.00 0.00 C ATOM 365 O ARG A 24 -1.705 -9.468 1.012 1.00 0.00 O ATOM 366 CB ARG A 24 -2.919 -6.942 1.741 1.00 0.00 C ATOM 367 CG ARG A 24 -4.174 -6.883 0.851 1.00 0.00 C ATOM 368 CD ARG A 24 -4.539 -8.196 0.151 1.00 0.00 C ATOM 369 NE ARG A 24 -5.760 -8.028 -0.663 1.00 0.00 N ATOM 370 CZ ARG A 24 -5.847 -7.720 -1.941 1.00 0.00 C ATOM 371 NH1 ARG A 24 -4.807 -7.536 -2.706 1.00 0.00 N ATOM 372 NH2 ARG A 24 -7.026 -7.580 -2.467 1.00 0.00 N ATOM 0 H ARG A 24 -1.021 -5.137 0.393 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.796 -6.835 1.841 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.028 -7.796 2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.914 -6.048 2.365 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.019 -6.569 1.463 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.026 -6.114 0.093 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.713 -8.518 -0.484 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.695 -8.979 0.893 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.645 -8.168 -0.176 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.867 -7.629 -2.320 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.933 -7.299 -3.690 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.859 -7.708 -1.893 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.119 -7.342 -3.454 1.00 0.00 H new ATOM 386 N LEU A 25 -0.028 -8.535 -0.166 1.00 0.00 N ATOM 387 CA LEU A 25 0.392 -9.724 -0.920 1.00 0.00 C ATOM 388 C LEU A 25 1.149 -10.778 -0.082 1.00 0.00 C ATOM 389 O LEU A 25 1.181 -11.954 -0.450 1.00 0.00 O ATOM 390 CB LEU A 25 1.241 -9.223 -2.108 1.00 0.00 C ATOM 391 CG LEU A 25 1.554 -10.267 -3.199 1.00 0.00 C ATOM 392 CD1 LEU A 25 0.287 -10.833 -3.848 1.00 0.00 C ATOM 393 CD2 LEU A 25 2.392 -9.616 -4.299 1.00 0.00 C ATOM 0 H LEU A 25 0.586 -7.735 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.497 -10.256 -1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.722 -8.385 -2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.184 -8.838 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 25 2.090 -11.083 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.563 -11.563 -4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.327 -11.316 -3.088 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.278 -10.023 -4.310 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.614 -10.353 -5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.836 -8.787 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.324 -9.243 -3.874 1.00 0.00 H new ATOM 424 N GLY A 27 2.572 -11.527 4.428 1.00 0.00 N ATOM 425 CA GLY A 27 2.247 -11.215 5.829 1.00 0.00 C ATOM 426 C GLY A 27 3.088 -11.904 6.910 1.00 0.00 C ATOM 427 O GLY A 27 2.755 -11.797 8.091 1.00 0.00 O ATOM 0 HA2 GLY A 27 2.337 -10.137 5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.201 -11.471 5.999 1.00 0.00 H new ATOM 431 N ALA A 28 4.174 -12.595 6.545 1.00 0.00 N ATOM 432 CA ALA A 28 5.069 -13.260 7.501 1.00 0.00 C ATOM 433 C ALA A 28 5.848 -12.285 8.417 1.00 0.00 C ATOM 434 O ALA A 28 6.275 -12.676 9.508 1.00 0.00 O ATOM 435 CB ALA A 28 6.031 -14.157 6.710 1.00 0.00 C ATOM 0 H ALA A 28 4.459 -12.710 5.572 1.00 0.00 H new ATOM 0 HA ALA A 28 4.453 -13.849 8.181 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.707 -14.663 7.400 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.460 -14.899 6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.610 -13.547 6.016 1.00 0.00 H new ATOM 441 N SER A 29 6.022 -11.025 7.989 1.00 0.00 N ATOM 442 CA SER A 29 6.894 -10.024 8.639 1.00 0.00 C ATOM 443 C SER A 29 6.359 -8.577 8.571 1.00 0.00 C ATOM 444 O SER A 29 7.115 -7.631 8.818 1.00 0.00 O ATOM 445 CB SER A 29 8.302 -10.075 8.010 1.00 0.00 C ATOM 446 OG SER A 29 8.858 -11.385 8.023 1.00 0.00 O ATOM 0 H SER A 29 5.550 -10.661 7.161 1.00 0.00 H new ATOM 0 HA SER A 29 6.922 -10.293 9.695 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.250 -9.716 6.982 1.00 0.00 H new ATOM 0 HB3 SER A 29 8.963 -9.398 8.551 1.00 0.00 H new ATOM 0 HG SER A 29 9.748 -11.367 7.613 1.00 0.00 H new ATOM 452 N GLY A 30 5.084 -8.363 8.218 1.00 0.00 N ATOM 453 CA GLY A 30 4.521 -7.019 8.013 1.00 0.00 C ATOM 454 C GLY A 30 2.993 -6.954 7.833 1.00 0.00 C ATOM 455 O GLY A 30 2.321 -7.992 7.839 1.00 0.00 O ATOM 0 H GLY A 30 4.413 -9.116 8.066 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.794 -6.397 8.865 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.991 -6.579 7.133 1.00 0.00 H new ATOM 459 N PRO A 31 2.426 -5.737 7.690 1.00 0.00 N ATOM 460 CA PRO A 31 0.980 -5.504 7.656 1.00 0.00 C ATOM 461 C PRO A 31 0.312 -6.134 6.425 1.00 0.00 C ATOM 462 O PRO A 31 0.822 -6.038 5.308 1.00 0.00 O ATOM 463 CB PRO A 31 0.808 -3.978 7.689 1.00 0.00 C ATOM 464 CG PRO A 31 2.119 -3.447 7.111 1.00 0.00 C ATOM 465 CD PRO A 31 3.146 -4.474 7.580 1.00 0.00 C ATOM 0 HA PRO A 31 0.487 -5.979 8.504 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.048 -3.660 7.095 1.00 0.00 H new ATOM 0 HB3 PRO A 31 0.644 -3.616 8.704 1.00 0.00 H new ATOM 0 HG2 PRO A 31 2.083 -3.381 6.024 1.00 0.00 H new ATOM 0 HG3 PRO A 31 2.348 -2.449 7.483 1.00 0.00 H new ATOM 0 HD2 PRO A 31 3.970 -4.554 6.871 1.00 0.00 H new ATOM 0 HD3 PRO A 31 3.577 -4.185 8.539 1.00 0.00 H new ATOM 473 N ASN A 32 -0.837 -6.788 6.638 1.00 0.00 N ATOM 474 CA ASN A 32 -1.568 -7.545 5.607 1.00 0.00 C ATOM 475 C ASN A 32 -3.080 -7.729 5.898 1.00 0.00 C ATOM 476 O ASN A 32 -3.731 -8.569 5.275 1.00 0.00 O ATOM 477 CB ASN A 32 -0.849 -8.900 5.406 1.00 0.00 C ATOM 478 CG ASN A 32 -0.916 -9.833 6.606 1.00 0.00 C ATOM 479 OD1 ASN A 32 -1.725 -10.745 6.677 1.00 0.00 O ATOM 480 ND2 ASN A 32 -0.058 -9.661 7.588 1.00 0.00 N ATOM 0 H ASN A 32 -1.296 -6.808 7.549 1.00 0.00 H new ATOM 0 HA ASN A 32 -1.551 -6.961 4.687 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -1.286 -9.405 4.544 1.00 0.00 H new ATOM 0 HB3 ASN A 32 0.197 -8.710 5.167 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.074 -10.285 8.395 1.00 0.00 H new ATOM 0 HD22 ASN A 32 0.624 -8.904 7.543 1.00 0.00 H new ATOM 487 N LYS A 33 -3.646 -6.978 6.858 1.00 0.00 N ATOM 488 CA LYS A 33 -4.961 -7.252 7.488 1.00 0.00 C ATOM 489 C LYS A 33 -6.068 -6.246 7.123 1.00 0.00 C ATOM 490 O LYS A 33 -7.112 -6.207 7.778 1.00 0.00 O ATOM 491 CB LYS A 33 -4.783 -7.383 9.018 1.00 0.00 C ATOM 492 CG LYS A 33 -3.784 -8.462 9.480 1.00 0.00 C ATOM 493 CD LYS A 33 -4.113 -9.861 8.940 1.00 0.00 C ATOM 494 CE LYS A 33 -3.170 -10.904 9.552 1.00 0.00 C ATOM 495 NZ LYS A 33 -3.156 -12.151 8.744 1.00 0.00 N ATOM 0 H LYS A 33 -3.196 -6.142 7.231 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.315 -8.197 7.076 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.459 -6.420 9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.755 -7.598 9.462 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.781 -8.182 9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.771 -8.494 10.569 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.147 -10.114 9.174 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.020 -9.870 7.854 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.161 -10.495 9.614 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.485 -11.130 10.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.663 -12.900 9.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.133 -12.450 8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.662 -11.977 7.846 1.00 0.00 H new ATOM 509 N LYS A 34 -5.853 -5.438 6.080 1.00 0.00 N ATOM 510 CA LYS A 34 -6.787 -4.427 5.548 1.00 0.00 C ATOM 511 C LYS A 34 -6.820 -4.466 4.015 1.00 0.00 C ATOM 512 O LYS A 34 -5.951 -5.064 3.384 1.00 0.00 O ATOM 513 CB LYS A 34 -6.376 -3.029 6.057 1.00 0.00 C ATOM 514 CG LYS A 34 -6.696 -2.813 7.544 1.00 0.00 C ATOM 515 CD LYS A 34 -6.289 -1.400 7.989 1.00 0.00 C ATOM 516 CE LYS A 34 -6.733 -1.080 9.425 1.00 0.00 C ATOM 517 NZ LYS A 34 -6.036 -1.914 10.442 1.00 0.00 N ATOM 0 H LYS A 34 -4.980 -5.469 5.554 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.793 -4.651 5.902 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.307 -2.890 5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.888 -2.269 5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.762 -2.961 7.717 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.170 -3.554 8.145 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.206 -1.298 7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.724 -0.669 7.307 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.544 -0.027 9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.809 -1.233 9.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.373 -1.657 11.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.237 -2.919 10.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.011 -1.750 10.382 1.00 0.00 H new ATOM 531 N GLU A 35 -7.807 -3.798 3.423 1.00 0.00 N ATOM 532 CA GLU A 35 -7.959 -3.599 1.971 1.00 0.00 C ATOM 533 C GLU A 35 -8.494 -2.185 1.674 1.00 0.00 C ATOM 534 O GLU A 35 -9.052 -1.531 2.561 1.00 0.00 O ATOM 535 CB GLU A 35 -8.911 -4.652 1.366 1.00 0.00 C ATOM 536 CG GLU A 35 -8.396 -6.092 1.502 1.00 0.00 C ATOM 537 CD GLU A 35 -9.244 -7.083 0.685 1.00 0.00 C ATOM 538 OE1 GLU A 35 -8.694 -7.701 -0.259 1.00 0.00 O ATOM 539 OE2 GLU A 35 -10.450 -7.261 0.989 1.00 0.00 O ATOM 0 H GLU A 35 -8.557 -3.360 3.958 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.976 -3.713 1.514 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.883 -4.574 1.853 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.065 -4.428 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.359 -6.140 1.169 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.407 -6.384 2.552 1.00 0.00 H new ATOM 546 N SER A 36 -8.345 -1.710 0.434 1.00 0.00 N ATOM 547 CA SER A 36 -8.869 -0.413 -0.035 1.00 0.00 C ATOM 548 C SER A 36 -10.399 -0.295 0.108 1.00 0.00 C ATOM 549 O SER A 36 -11.122 -1.277 -0.092 1.00 0.00 O ATOM 550 CB SER A 36 -8.492 -0.200 -1.507 1.00 0.00 C ATOM 551 OG SER A 36 -7.091 -0.350 -1.694 1.00 0.00 O ATOM 0 H SER A 36 -7.846 -2.224 -0.292 1.00 0.00 H new ATOM 0 HA SER A 36 -8.418 0.352 0.597 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.026 -0.916 -2.132 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.802 0.795 -1.827 1.00 0.00 H new ATOM 0 HG SER A 36 -6.870 -0.212 -2.639 1.00 0.00 H new ATOM 557 N ARG A 37 -10.901 0.916 0.401 1.00 0.00 N ATOM 558 CA ARG A 37 -12.329 1.239 0.651 1.00 0.00 C ATOM 559 C ARG A 37 -12.765 2.525 -0.079 1.00 0.00 C ATOM 560 O ARG A 37 -11.937 3.217 -0.678 1.00 0.00 O ATOM 561 CB ARG A 37 -12.581 1.380 2.174 1.00 0.00 C ATOM 562 CG ARG A 37 -12.163 0.188 3.054 1.00 0.00 C ATOM 563 CD ARG A 37 -12.923 -1.110 2.749 1.00 0.00 C ATOM 564 NE ARG A 37 -12.383 -2.238 3.534 1.00 0.00 N ATOM 565 CZ ARG A 37 -12.474 -3.525 3.245 1.00 0.00 C ATOM 566 NH1 ARG A 37 -13.092 -3.961 2.184 1.00 0.00 N ATOM 567 NH2 ARG A 37 -11.939 -4.415 4.032 1.00 0.00 N ATOM 0 H ARG A 37 -10.302 1.738 0.475 1.00 0.00 H new ATOM 0 HA ARG A 37 -12.928 0.418 0.256 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.052 2.266 2.526 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -13.645 1.561 2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.095 0.011 2.924 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.318 0.450 4.101 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.981 -0.978 2.976 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.851 -1.336 1.685 1.00 0.00 H new ATOM 0 HE ARG A 37 -11.886 -1.998 4.392 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -13.528 -3.301 1.540 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -13.140 -4.963 1.997 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -11.447 -4.120 4.876 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -12.012 -5.407 3.805 1.00 0.00 H new ATOM 581 N GLY A 38 -14.056 2.862 -0.008 1.00 0.00 N ATOM 582 CA GLY A 38 -14.650 4.072 -0.603 1.00 0.00 C ATOM 583 C GLY A 38 -16.049 4.408 -0.062 1.00 0.00 C ATOM 584 O GLY A 38 -16.603 3.667 0.756 1.00 0.00 O ATOM 0 H GLY A 38 -14.741 2.285 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -13.987 4.918 -0.420 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.710 3.942 -1.684 1.00 0.00 H new ATOM 588 N ARG A 39 -16.613 5.540 -0.513 1.00 0.00 N ATOM 589 CA ARG A 39 -17.867 6.146 0.006 1.00 0.00 C ATOM 590 C ARG A 39 -18.870 6.592 -1.080 1.00 0.00 C ATOM 591 O ARG A 39 -19.860 7.256 -0.764 1.00 0.00 O ATOM 592 CB ARG A 39 -17.505 7.317 0.949 1.00 0.00 C ATOM 593 CG ARG A 39 -16.929 6.853 2.296 1.00 0.00 C ATOM 594 CD ARG A 39 -16.667 8.059 3.206 1.00 0.00 C ATOM 595 NE ARG A 39 -16.312 7.642 4.577 1.00 0.00 N ATOM 596 CZ ARG A 39 -16.060 8.440 5.601 1.00 0.00 C ATOM 597 NH1 ARG A 39 -16.045 9.739 5.482 1.00 0.00 N ATOM 598 NH2 ARG A 39 -15.818 7.944 6.781 1.00 0.00 N ATOM 0 H ARG A 39 -16.202 6.082 -1.273 1.00 0.00 H new ATOM 0 HA ARG A 39 -18.393 5.362 0.550 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -16.780 7.963 0.454 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -18.396 7.918 1.130 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -17.625 6.168 2.780 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -16.002 6.303 2.133 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -15.860 8.661 2.788 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -17.554 8.692 3.236 1.00 0.00 H new ATOM 0 HE ARG A 39 -16.255 6.639 4.752 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -16.232 10.170 4.577 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.847 10.323 6.294 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.822 6.934 6.920 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -15.624 8.566 7.566 1.00 0.00 H new ATOM 612 N GLY A 40 -18.647 6.236 -2.349 1.00 0.00 N ATOM 613 CA GLY A 40 -19.530 6.622 -3.466 1.00 0.00 C ATOM 614 C GLY A 40 -19.255 5.952 -4.824 1.00 0.00 C ATOM 615 O GLY A 40 -20.107 5.979 -5.711 1.00 0.00 O ATOM 0 H GLY A 40 -17.848 5.671 -2.636 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -20.558 6.402 -3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -19.460 7.702 -3.598 1.00 0.00 H new