USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 381 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 1 GLY N :NH3+ 180:sc=-0.00785 (180deg=-0.00785) USER MOD Set 1.2: B 27 THR OG1 : rot 180:sc= 0.00669 USER MOD Single : A 5 GLN : amide:sc= -0.0551 K(o=-0.055,f=-2.2!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.155 USER MOD Single : A 12 SER OG : rot 180:sc= 0.00115 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.697 K(o=-0.7,f=-5.1!) USER MOD Single : A 18 ASN : amide:sc= -0.0484 K(o=-0.048,f=-1.4!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.234 K(o=-0.23,f=-3.1!) USER MOD Single : B 1 PHE N :NH3+ -108:sc= 0.0458 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.517 K(o=0.52,f=-3.4!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -11.9! C(o=-12!,f=-15!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0217 USER MOD Single : B 10 HIS : no HE2:sc= -4.95! C(o=-5!,f=-5.6!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 63:sc= -0.252 USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.094 3.358 4.240 1.00 0.00 N ATOM 2 CA GLY A 1 -7.372 4.649 3.851 1.00 0.00 C ATOM 3 C GLY A 1 -6.042 4.569 3.182 1.00 0.00 C ATOM 4 O GLY A 1 -5.396 5.571 2.944 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.001 3.590 4.693 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.268 2.788 3.388 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.504 2.817 4.904 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.036 5.210 3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.247 5.240 4.758 1.00 0.00 H new ATOM 10 N ILE A 2 -5.599 3.386 2.858 1.00 0.00 N ATOM 11 CA ILE A 2 -4.276 3.248 2.186 1.00 0.00 C ATOM 12 C ILE A 2 -4.261 4.104 0.920 1.00 0.00 C ATOM 13 O ILE A 2 -3.217 4.460 0.409 1.00 0.00 O ATOM 14 CB ILE A 2 -4.037 1.783 1.817 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.569 1.592 1.424 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.935 1.399 0.642 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.389 0.220 0.771 1.00 0.00 C ATOM 0 H ILE A 2 -6.094 2.511 3.029 1.00 0.00 H new ATOM 0 HA ILE A 2 -3.488 3.581 2.861 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.271 1.149 2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.261 2.378 0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.932 1.674 2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.764 0.355 0.380 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.979 1.537 0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.703 2.031 -0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.344 0.084 0.491 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.680 -0.559 1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.014 0.156 -0.120 1.00 0.00 H new ATOM 29 N VAL A 3 -5.412 4.436 0.412 1.00 0.00 N ATOM 30 CA VAL A 3 -5.472 5.269 -0.823 1.00 0.00 C ATOM 31 C VAL A 3 -5.253 6.738 -0.455 1.00 0.00 C ATOM 32 O VAL A 3 -4.327 7.371 -0.919 1.00 0.00 O ATOM 33 CB VAL A 3 -6.840 5.107 -1.495 1.00 0.00 C ATOM 34 CG1 VAL A 3 -6.681 5.237 -3.010 1.00 0.00 C ATOM 35 CG2 VAL A 3 -7.417 3.728 -1.165 1.00 0.00 C ATOM 0 H VAL A 3 -6.317 4.167 0.798 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.694 4.945 -1.514 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.515 5.880 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.653 5.122 -3.489 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.272 6.218 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.004 4.463 -3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.390 3.616 -1.644 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.742 2.954 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.531 3.630 -0.085 1.00 0.00 H new ATOM 45 N GLU A 4 -6.095 7.285 0.379 1.00 0.00 N ATOM 46 CA GLU A 4 -5.924 8.713 0.775 1.00 0.00 C ATOM 47 C GLU A 4 -4.706 8.839 1.689 1.00 0.00 C ATOM 48 O GLU A 4 -4.160 9.908 1.873 1.00 0.00 O ATOM 49 CB GLU A 4 -7.173 9.192 1.517 1.00 0.00 C ATOM 50 CG GLU A 4 -8.400 9.007 0.625 1.00 0.00 C ATOM 51 CD GLU A 4 -9.613 8.653 1.489 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.430 8.458 2.680 1.00 0.00 O ATOM 53 OE2 GLU A 4 -10.702 8.582 0.945 1.00 0.00 O ATOM 0 H GLU A 4 -6.891 6.808 0.802 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.778 9.325 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -7.296 8.631 2.443 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.065 10.241 1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.595 9.920 0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.217 8.217 -0.104 1.00 0.00 H new ATOM 60 N GLN A 5 -4.274 7.750 2.259 1.00 0.00 N ATOM 61 CA GLN A 5 -3.087 7.799 3.158 1.00 0.00 C ATOM 62 C GLN A 5 -1.820 7.668 2.317 1.00 0.00 C ATOM 63 O GLN A 5 -0.763 8.143 2.683 1.00 0.00 O ATOM 64 CB GLN A 5 -3.159 6.649 4.164 1.00 0.00 C ATOM 65 CG GLN A 5 -2.186 6.915 5.315 1.00 0.00 C ATOM 66 CD GLN A 5 -2.855 7.815 6.354 1.00 0.00 C ATOM 67 OE1 GLN A 5 -3.971 8.256 6.165 1.00 0.00 O ATOM 68 NE2 GLN A 5 -2.215 8.108 7.453 1.00 0.00 N ATOM 0 H GLN A 5 -4.692 6.827 2.142 1.00 0.00 H new ATOM 0 HA GLN A 5 -3.072 8.746 3.698 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -4.174 6.551 4.548 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.911 5.707 3.674 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.884 5.974 5.775 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.281 7.390 4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -1.278 7.738 7.612 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -2.652 8.707 8.153 1.00 0.00 H new ATOM 77 N CYS A 6 -1.925 7.029 1.188 1.00 0.00 N ATOM 78 CA CYS A 6 -0.738 6.861 0.306 1.00 0.00 C ATOM 79 C CYS A 6 -0.866 7.804 -0.886 1.00 0.00 C ATOM 80 O CYS A 6 0.108 8.178 -1.507 1.00 0.00 O ATOM 81 CB CYS A 6 -0.673 5.415 -0.183 1.00 0.00 C ATOM 82 SG CYS A 6 -0.601 4.318 1.252 1.00 0.00 S ATOM 0 H CYS A 6 -2.787 6.613 0.835 1.00 0.00 H new ATOM 0 HA CYS A 6 0.172 7.095 0.858 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.547 5.183 -0.792 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.204 5.269 -0.814 1.00 0.00 H new ATOM 87 N CYS A 7 -2.065 8.196 -1.199 1.00 0.00 N ATOM 88 CA CYS A 7 -2.273 9.123 -2.341 1.00 0.00 C ATOM 89 C CYS A 7 -2.423 10.544 -1.800 1.00 0.00 C ATOM 90 O CYS A 7 -1.669 11.430 -2.151 1.00 0.00 O ATOM 91 CB CYS A 7 -3.528 8.704 -3.107 1.00 0.00 C ATOM 92 SG CYS A 7 -3.492 9.421 -4.768 1.00 0.00 S ATOM 0 H CYS A 7 -2.915 7.913 -0.711 1.00 0.00 H new ATOM 0 HA CYS A 7 -1.422 9.088 -3.021 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.582 7.617 -3.170 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.419 9.037 -2.575 1.00 0.00 H new ATOM 97 N THR A 8 -3.365 10.771 -0.927 1.00 0.00 N ATOM 98 CA THR A 8 -3.516 12.136 -0.354 1.00 0.00 C ATOM 99 C THR A 8 -2.219 12.467 0.396 1.00 0.00 C ATOM 100 O THR A 8 -1.825 13.610 0.517 1.00 0.00 O ATOM 101 CB THR A 8 -4.747 12.163 0.583 1.00 0.00 C ATOM 102 OG1 THR A 8 -5.680 13.117 0.094 1.00 0.00 O ATOM 103 CG2 THR A 8 -4.351 12.536 2.019 1.00 0.00 C ATOM 0 H THR A 8 -4.031 10.077 -0.588 1.00 0.00 H new ATOM 0 HA THR A 8 -3.681 12.884 -1.129 1.00 0.00 H new ATOM 0 HB THR A 8 -5.188 11.166 0.599 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.464 13.139 0.682 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.239 12.546 2.651 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.641 11.803 2.403 1.00 0.00 H new ATOM 0 HG23 THR A 8 -3.891 13.524 2.025 1.00 0.00 H new ATOM 111 N SER A 9 -1.552 11.455 0.884 1.00 0.00 N ATOM 112 CA SER A 9 -0.270 11.664 1.612 1.00 0.00 C ATOM 113 C SER A 9 0.770 10.690 1.040 1.00 0.00 C ATOM 114 O SER A 9 0.900 10.560 -0.161 1.00 0.00 O ATOM 115 CB SER A 9 -0.482 11.394 3.103 1.00 0.00 C ATOM 116 OG SER A 9 0.719 11.684 3.808 1.00 0.00 O ATOM 0 H SER A 9 -1.846 10.481 0.807 1.00 0.00 H new ATOM 0 HA SER A 9 0.077 12.690 1.490 1.00 0.00 H new ATOM 0 HB2 SER A 9 -1.298 12.008 3.483 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.767 10.354 3.259 1.00 0.00 H new ATOM 0 HG SER A 9 0.586 11.514 4.764 1.00 0.00 H new ATOM 122 N ILE A 10 1.502 9.991 1.871 1.00 0.00 N ATOM 123 CA ILE A 10 2.506 9.031 1.325 1.00 0.00 C ATOM 124 C ILE A 10 2.607 7.799 2.217 1.00 0.00 C ATOM 125 O ILE A 10 2.217 7.813 3.369 1.00 0.00 O ATOM 126 CB ILE A 10 3.893 9.668 1.267 1.00 0.00 C ATOM 127 CG1 ILE A 10 3.866 10.932 0.416 1.00 0.00 C ATOM 128 CG2 ILE A 10 4.870 8.672 0.662 1.00 0.00 C ATOM 129 CD1 ILE A 10 3.870 12.139 1.342 1.00 0.00 C ATOM 0 H ILE A 10 1.449 10.042 2.888 1.00 0.00 H new ATOM 0 HA ILE A 10 2.175 8.755 0.324 1.00 0.00 H new ATOM 0 HB ILE A 10 4.205 9.935 2.277 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.731 10.961 -0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.979 10.943 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.863 9.118 0.617 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.903 7.774 1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.544 8.408 -0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.851 13.053 0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.991 12.106 1.986 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.771 12.124 1.956 1.00 0.00 H new ATOM 141 N CYS A 11 3.170 6.743 1.699 1.00 0.00 N ATOM 142 CA CYS A 11 3.348 5.515 2.523 1.00 0.00 C ATOM 143 C CYS A 11 4.671 4.848 2.160 1.00 0.00 C ATOM 144 O CYS A 11 5.276 5.139 1.148 1.00 0.00 O ATOM 145 CB CYS A 11 2.226 4.512 2.267 1.00 0.00 C ATOM 146 SG CYS A 11 0.617 5.291 2.534 1.00 0.00 S ATOM 0 H CYS A 11 3.514 6.677 0.741 1.00 0.00 H new ATOM 0 HA CYS A 11 3.334 5.810 3.572 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.291 4.136 1.246 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.337 3.654 2.930 1.00 0.00 H new ATOM 151 N SER A 12 5.102 3.937 2.977 1.00 0.00 N ATOM 152 CA SER A 12 6.372 3.212 2.702 1.00 0.00 C ATOM 153 C SER A 12 6.047 1.734 2.489 1.00 0.00 C ATOM 154 O SER A 12 5.127 1.205 3.081 1.00 0.00 O ATOM 155 CB SER A 12 7.319 3.360 3.894 1.00 0.00 C ATOM 156 OG SER A 12 6.888 2.502 4.942 1.00 0.00 O ATOM 0 H SER A 12 4.625 3.658 3.835 1.00 0.00 H new ATOM 0 HA SER A 12 6.853 3.624 1.815 1.00 0.00 H new ATOM 0 HB2 SER A 12 8.338 3.109 3.598 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.332 4.395 4.237 1.00 0.00 H new ATOM 0 HG SER A 12 7.493 2.592 5.708 1.00 0.00 H new ATOM 162 N LEU A 13 6.778 1.058 1.647 1.00 0.00 N ATOM 163 CA LEU A 13 6.478 -0.380 1.413 1.00 0.00 C ATOM 164 C LEU A 13 6.283 -1.066 2.762 1.00 0.00 C ATOM 165 O LEU A 13 5.444 -1.932 2.917 1.00 0.00 O ATOM 166 CB LEU A 13 7.613 -1.032 0.597 1.00 0.00 C ATOM 167 CG LEU A 13 8.392 -2.066 1.427 1.00 0.00 C ATOM 168 CD1 LEU A 13 9.287 -2.895 0.504 1.00 0.00 C ATOM 169 CD2 LEU A 13 9.260 -1.346 2.458 1.00 0.00 C ATOM 0 H LEU A 13 7.563 1.435 1.116 1.00 0.00 H new ATOM 0 HA LEU A 13 5.561 -0.487 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.195 -1.515 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.297 -0.260 0.244 1.00 0.00 H new ATOM 0 HG LEU A 13 7.687 -2.722 1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.839 -3.627 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.671 -3.411 -0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.990 -2.238 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.811 -2.080 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.963 -0.689 1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.626 -0.755 3.119 1.00 0.00 H new ATOM 181 N TYR A 14 7.029 -0.665 3.745 1.00 0.00 N ATOM 182 CA TYR A 14 6.862 -1.273 5.089 1.00 0.00 C ATOM 183 C TYR A 14 5.385 -1.171 5.448 1.00 0.00 C ATOM 184 O TYR A 14 4.779 -2.104 5.937 1.00 0.00 O ATOM 185 CB TYR A 14 7.699 -0.506 6.115 1.00 0.00 C ATOM 186 CG TYR A 14 8.306 -1.480 7.092 1.00 0.00 C ATOM 187 CD1 TYR A 14 9.478 -2.168 6.755 1.00 0.00 C ATOM 188 CD2 TYR A 14 7.696 -1.697 8.335 1.00 0.00 C ATOM 189 CE1 TYR A 14 10.042 -3.075 7.661 1.00 0.00 C ATOM 190 CE2 TYR A 14 8.261 -2.604 9.242 1.00 0.00 C ATOM 191 CZ TYR A 14 9.434 -3.293 8.905 1.00 0.00 C ATOM 192 OH TYR A 14 9.990 -4.188 9.796 1.00 0.00 O ATOM 0 H TYR A 14 7.747 0.057 3.678 1.00 0.00 H new ATOM 0 HA TYR A 14 7.191 -2.312 5.088 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.484 0.059 5.612 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.076 0.216 6.643 1.00 0.00 H new ATOM 0 HD1 TYR A 14 9.947 -1.999 5.797 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.792 -1.166 8.594 1.00 0.00 H new ATOM 0 HE1 TYR A 14 10.946 -3.607 7.401 1.00 0.00 H new ATOM 0 HE2 TYR A 14 7.792 -2.772 10.200 1.00 0.00 H new ATOM 0 HH TYR A 14 9.446 -4.220 10.610 1.00 0.00 H new ATOM 202 N GLN A 15 4.803 -0.039 5.171 1.00 0.00 N ATOM 203 CA GLN A 15 3.358 0.154 5.450 1.00 0.00 C ATOM 204 C GLN A 15 2.567 -0.631 4.411 1.00 0.00 C ATOM 205 O GLN A 15 1.451 -1.054 4.638 1.00 0.00 O ATOM 206 CB GLN A 15 3.025 1.642 5.335 1.00 0.00 C ATOM 207 CG GLN A 15 3.611 2.394 6.530 1.00 0.00 C ATOM 208 CD GLN A 15 3.630 3.895 6.230 1.00 0.00 C ATOM 209 OE1 GLN A 15 2.963 4.354 5.324 1.00 0.00 O ATOM 210 NE2 GLN A 15 4.370 4.684 6.958 1.00 0.00 N ATOM 0 H GLN A 15 5.273 0.767 4.759 1.00 0.00 H new ATOM 0 HA GLN A 15 3.107 -0.194 6.452 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.429 2.044 4.406 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.945 1.781 5.299 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.017 2.198 7.423 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.621 2.041 6.735 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.930 4.299 7.719 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.389 5.686 6.767 1.00 0.00 H new ATOM 219 N LEU A 16 3.159 -0.837 3.271 1.00 0.00 N ATOM 220 CA LEU A 16 2.487 -1.601 2.194 1.00 0.00 C ATOM 221 C LEU A 16 2.554 -3.084 2.538 1.00 0.00 C ATOM 222 O LEU A 16 1.668 -3.851 2.217 1.00 0.00 O ATOM 223 CB LEU A 16 3.197 -1.330 0.867 1.00 0.00 C ATOM 224 CG LEU A 16 3.140 0.171 0.515 1.00 0.00 C ATOM 225 CD1 LEU A 16 2.934 0.321 -0.989 1.00 0.00 C ATOM 226 CD2 LEU A 16 1.978 0.865 1.241 1.00 0.00 C ATOM 0 H LEU A 16 4.094 -0.502 3.039 1.00 0.00 H new ATOM 0 HA LEU A 16 1.444 -1.297 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.236 -1.654 0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.730 -1.913 0.073 1.00 0.00 H new ATOM 0 HG LEU A 16 4.076 0.634 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.892 1.379 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.763 -0.149 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.999 -0.160 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.962 1.922 0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.036 0.402 0.946 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.110 0.764 2.318 1.00 0.00 H new ATOM 238 N GLU A 17 3.594 -3.491 3.212 1.00 0.00 N ATOM 239 CA GLU A 17 3.709 -4.919 3.601 1.00 0.00 C ATOM 240 C GLU A 17 2.618 -5.222 4.622 1.00 0.00 C ATOM 241 O GLU A 17 2.253 -6.361 4.842 1.00 0.00 O ATOM 242 CB GLU A 17 5.085 -5.178 4.218 1.00 0.00 C ATOM 243 CG GLU A 17 6.173 -4.856 3.191 1.00 0.00 C ATOM 244 CD GLU A 17 7.274 -5.916 3.265 1.00 0.00 C ATOM 245 OE1 GLU A 17 7.687 -6.238 4.367 1.00 0.00 O ATOM 246 OE2 GLU A 17 7.685 -6.389 2.218 1.00 0.00 O ATOM 0 H GLU A 17 4.367 -2.895 3.509 1.00 0.00 H new ATOM 0 HA GLU A 17 3.594 -5.560 2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.217 -4.564 5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 17 5.164 -6.218 4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.746 -4.830 2.189 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.591 -3.868 3.385 1.00 0.00 H new ATOM 253 N ASN A 18 2.087 -4.202 5.243 1.00 0.00 N ATOM 254 CA ASN A 18 1.007 -4.422 6.243 1.00 0.00 C ATOM 255 C ASN A 18 -0.297 -4.754 5.513 1.00 0.00 C ATOM 256 O ASN A 18 -1.270 -5.164 6.114 1.00 0.00 O ATOM 257 CB ASN A 18 0.817 -3.154 7.079 1.00 0.00 C ATOM 258 CG ASN A 18 0.208 -3.519 8.434 1.00 0.00 C ATOM 259 OD1 ASN A 18 -0.261 -4.624 8.624 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.194 -2.631 9.392 1.00 0.00 N ATOM 0 H ASN A 18 2.355 -3.228 5.100 1.00 0.00 H new ATOM 0 HA ASN A 18 1.279 -5.249 6.899 1.00 0.00 H new ATOM 0 HB2 ASN A 18 1.775 -2.654 7.222 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.167 -2.454 6.554 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.210 -2.865 10.299 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.587 -1.703 9.233 1.00 0.00 H new ATOM 267 N TYR A 19 -0.321 -4.581 4.219 1.00 0.00 N ATOM 268 CA TYR A 19 -1.558 -4.887 3.444 1.00 0.00 C ATOM 269 C TYR A 19 -1.427 -6.266 2.792 1.00 0.00 C ATOM 270 O TYR A 19 -2.245 -6.662 1.988 1.00 0.00 O ATOM 271 CB TYR A 19 -1.743 -3.832 2.351 1.00 0.00 C ATOM 272 CG TYR A 19 -1.956 -2.476 2.981 1.00 0.00 C ATOM 273 CD1 TYR A 19 -0.853 -1.695 3.348 1.00 0.00 C ATOM 274 CD2 TYR A 19 -3.255 -1.997 3.193 1.00 0.00 C ATOM 275 CE1 TYR A 19 -1.049 -0.434 3.927 1.00 0.00 C ATOM 276 CE2 TYR A 19 -3.452 -0.737 3.773 1.00 0.00 C ATOM 277 CZ TYR A 19 -2.349 0.045 4.140 1.00 0.00 C ATOM 278 OH TYR A 19 -2.541 1.287 4.710 1.00 0.00 O ATOM 0 H TYR A 19 0.464 -4.240 3.664 1.00 0.00 H new ATOM 0 HA TYR A 19 -2.417 -4.880 4.115 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.867 -3.809 1.703 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.596 -4.090 1.724 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.149 -2.065 3.185 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.105 -2.599 2.909 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.198 0.169 4.209 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -4.454 -0.369 3.937 1.00 0.00 H new ATOM 0 HH TYR A 19 -3.501 1.467 4.786 1.00 0.00 H new ATOM 288 N CYS A 20 -0.399 -6.996 3.127 1.00 0.00 N ATOM 289 CA CYS A 20 -0.209 -8.345 2.519 1.00 0.00 C ATOM 290 C CYS A 20 -1.292 -9.299 3.025 1.00 0.00 C ATOM 291 O CYS A 20 -1.884 -9.088 4.064 1.00 0.00 O ATOM 292 CB CYS A 20 1.167 -8.885 2.908 1.00 0.00 C ATOM 293 SG CYS A 20 2.440 -7.742 2.323 1.00 0.00 S ATOM 0 H CYS A 20 0.319 -6.717 3.796 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.280 -8.265 1.434 1.00 0.00 H new ATOM 0 HB2 CYS A 20 1.234 -9.000 3.990 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.320 -9.873 2.473 1.00 0.00 H new ATOM 298 N ASN A 21 -1.552 -10.350 2.295 1.00 0.00 N ATOM 299 CA ASN A 21 -2.594 -11.320 2.732 1.00 0.00 C ATOM 300 C ASN A 21 -1.961 -12.364 3.654 1.00 0.00 C ATOM 301 O ASN A 21 -1.286 -11.968 4.590 1.00 0.00 O ATOM 302 CB ASN A 21 -3.191 -12.015 1.508 1.00 0.00 C ATOM 303 CG ASN A 21 -3.886 -10.981 0.622 1.00 0.00 C ATOM 304 OD1 ASN A 21 -4.570 -10.105 1.113 1.00 0.00 O ATOM 305 ND2 ASN A 21 -3.740 -11.046 -0.674 1.00 0.00 N ATOM 306 OXT ASN A 21 -2.163 -13.542 3.409 1.00 0.00 O ATOM 0 H ASN A 21 -1.088 -10.578 1.416 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.382 -10.791 3.268 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.407 -12.522 0.946 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.903 -12.778 1.821 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.200 -10.361 -1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.166 -11.781 -1.086 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 13.412 1.037 -0.009 1.00 0.00 N ATOM 315 CA PHE B 1 12.293 1.827 -0.597 1.00 0.00 C ATOM 316 C PHE B 1 12.181 3.170 0.125 1.00 0.00 C ATOM 317 O PHE B 1 13.017 3.529 0.927 1.00 0.00 O ATOM 318 CB PHE B 1 10.982 1.057 -0.432 1.00 0.00 C ATOM 319 CG PHE B 1 10.541 0.515 -1.769 1.00 0.00 C ATOM 320 CD1 PHE B 1 11.395 -0.318 -2.503 1.00 0.00 C ATOM 321 CD2 PHE B 1 9.278 0.845 -2.275 1.00 0.00 C ATOM 322 CE1 PHE B 1 10.984 -0.823 -3.745 1.00 0.00 C ATOM 323 CE2 PHE B 1 8.867 0.340 -3.517 1.00 0.00 C ATOM 324 CZ PHE B 1 9.721 -0.493 -4.252 1.00 0.00 C ATOM 0 H1 PHE B 1 14.206 1.007 -0.680 1.00 0.00 H new ATOM 0 H2 PHE B 1 13.724 1.484 0.877 1.00 0.00 H new ATOM 0 H3 PHE B 1 13.088 0.069 0.187 1.00 0.00 H new ATOM 0 HA PHE B 1 12.488 1.995 -1.656 1.00 0.00 H new ATOM 0 HB2 PHE B 1 11.115 0.240 0.277 1.00 0.00 H new ATOM 0 HB3 PHE B 1 10.213 1.712 -0.022 1.00 0.00 H new ATOM 0 HD1 PHE B 1 12.370 -0.571 -2.113 1.00 0.00 H new ATOM 0 HD2 PHE B 1 8.620 1.488 -1.709 1.00 0.00 H new ATOM 0 HE1 PHE B 1 11.642 -1.467 -4.311 1.00 0.00 H new ATOM 0 HE2 PHE B 1 7.892 0.593 -3.907 1.00 0.00 H new ATOM 0 HZ PHE B 1 9.405 -0.880 -5.209 1.00 0.00 H new ATOM 336 N VAL B 2 11.149 3.915 -0.159 1.00 0.00 N ATOM 337 CA VAL B 2 10.970 5.231 0.498 1.00 0.00 C ATOM 338 C VAL B 2 9.497 5.626 0.392 1.00 0.00 C ATOM 339 O VAL B 2 8.728 5.013 -0.320 1.00 0.00 O ATOM 340 CB VAL B 2 11.862 6.268 -0.204 1.00 0.00 C ATOM 341 CG1 VAL B 2 11.989 5.917 -1.687 1.00 0.00 C ATOM 342 CG2 VAL B 2 11.263 7.670 -0.078 1.00 0.00 C ATOM 0 H VAL B 2 10.418 3.662 -0.824 1.00 0.00 H new ATOM 0 HA VAL B 2 11.255 5.183 1.549 1.00 0.00 H new ATOM 0 HB VAL B 2 12.843 6.254 0.271 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.622 6.654 -2.182 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.435 4.928 -1.790 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.001 5.919 -2.147 1.00 0.00 H new ATOM 0 HG21 VAL B 2 11.910 8.389 -0.581 1.00 0.00 H new ATOM 0 HG22 VAL B 2 10.275 7.686 -0.538 1.00 0.00 H new ATOM 0 HG23 VAL B 2 11.177 7.935 0.976 1.00 0.00 H new ATOM 352 N ASN B 3 9.102 6.652 1.085 1.00 0.00 N ATOM 353 CA ASN B 3 7.676 7.087 1.008 1.00 0.00 C ATOM 354 C ASN B 3 7.374 7.489 -0.440 1.00 0.00 C ATOM 355 O ASN B 3 8.172 8.131 -1.093 1.00 0.00 O ATOM 356 CB ASN B 3 7.410 8.279 1.947 1.00 0.00 C ATOM 357 CG ASN B 3 8.458 8.322 3.063 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.598 8.674 2.830 1.00 0.00 O ATOM 359 ND2 ASN B 3 8.118 7.974 4.274 1.00 0.00 N ATOM 0 H ASN B 3 9.697 7.208 1.699 1.00 0.00 H new ATOM 0 HA ASN B 3 7.031 6.266 1.321 1.00 0.00 H new ATOM 0 HB2 ASN B 3 7.435 9.210 1.380 1.00 0.00 H new ATOM 0 HB3 ASN B 3 6.413 8.195 2.379 1.00 0.00 H new ATOM 0 HD21 ASN B 3 8.809 7.997 5.024 1.00 0.00 H new ATOM 0 HD22 ASN B 3 7.162 7.679 4.470 1.00 0.00 H new ATOM 366 N GLN B 4 6.234 7.111 -0.948 1.00 0.00 N ATOM 367 CA GLN B 4 5.891 7.468 -2.355 1.00 0.00 C ATOM 368 C GLN B 4 4.392 7.733 -2.463 1.00 0.00 C ATOM 369 O GLN B 4 3.582 7.009 -1.916 1.00 0.00 O ATOM 370 CB GLN B 4 6.259 6.309 -3.283 1.00 0.00 C ATOM 371 CG GLN B 4 6.792 6.864 -4.606 1.00 0.00 C ATOM 372 CD GLN B 4 8.085 6.137 -4.984 1.00 0.00 C ATOM 373 OE1 GLN B 4 9.167 6.599 -4.676 1.00 0.00 O ATOM 374 NE2 GLN B 4 8.020 5.014 -5.642 1.00 0.00 N ATOM 0 H GLN B 4 5.525 6.571 -0.451 1.00 0.00 H new ATOM 0 HA GLN B 4 6.446 8.361 -2.643 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.012 5.677 -2.812 1.00 0.00 H new ATOM 0 HB3 GLN B 4 5.385 5.683 -3.465 1.00 0.00 H new ATOM 0 HG2 GLN B 4 6.048 6.736 -5.392 1.00 0.00 H new ATOM 0 HG3 GLN B 4 6.978 7.934 -4.515 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.113 4.626 -5.901 1.00 0.00 H new ATOM 0 HE22 GLN B 4 8.876 4.523 -5.898 1.00 0.00 H new ATOM 383 N HIS B 5 4.014 8.763 -3.164 1.00 0.00 N ATOM 384 CA HIS B 5 2.565 9.065 -3.307 1.00 0.00 C ATOM 385 C HIS B 5 1.942 8.043 -4.256 1.00 0.00 C ATOM 386 O HIS B 5 2.284 7.967 -5.420 1.00 0.00 O ATOM 387 CB HIS B 5 2.390 10.470 -3.875 1.00 0.00 C ATOM 388 CG HIS B 5 2.775 11.485 -2.835 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.821 12.179 -2.119 1.00 0.00 N ATOM 390 CD2 HIS B 5 4.002 11.911 -2.404 1.00 0.00 C ATOM 391 CE1 HIS B 5 2.485 12.994 -1.287 1.00 0.00 C ATOM 392 NE2 HIS B 5 3.821 12.865 -1.426 1.00 0.00 N ATOM 0 H HIS B 5 4.644 9.407 -3.643 1.00 0.00 H new ATOM 0 HA HIS B 5 2.075 9.012 -2.335 1.00 0.00 H new ATOM 0 HB2 HIS B 5 3.008 10.593 -4.764 1.00 0.00 H new ATOM 0 HB3 HIS B 5 1.355 10.623 -4.182 1.00 0.00 H new ATOM 0 HD1 HIS B 5 0.809 12.089 -2.206 1.00 0.00 H new ATOM 0 HD2 HIS B 5 4.955 11.558 -2.770 1.00 0.00 H new ATOM 0 HE1 HIS B 5 2.010 13.670 -0.592 1.00 0.00 H new ATOM 400 N LEU B 6 1.041 7.246 -3.760 1.00 0.00 N ATOM 401 CA LEU B 6 0.401 6.209 -4.618 1.00 0.00 C ATOM 402 C LEU B 6 -1.100 6.499 -4.733 1.00 0.00 C ATOM 403 O LEU B 6 -1.575 7.515 -4.278 1.00 0.00 O ATOM 404 CB LEU B 6 0.616 4.850 -3.957 1.00 0.00 C ATOM 405 CG LEU B 6 1.840 4.147 -4.547 1.00 0.00 C ATOM 406 CD1 LEU B 6 2.959 5.149 -4.823 1.00 0.00 C ATOM 407 CD2 LEU B 6 2.337 3.106 -3.547 1.00 0.00 C ATOM 0 H LEU B 6 0.717 7.267 -2.793 1.00 0.00 H new ATOM 0 HA LEU B 6 0.838 6.215 -5.616 1.00 0.00 H new ATOM 0 HB2 LEU B 6 0.748 4.980 -2.883 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -0.269 4.229 -4.097 1.00 0.00 H new ATOM 0 HG LEU B 6 1.558 3.673 -5.487 1.00 0.00 H new ATOM 0 HD11 LEU B 6 3.819 4.627 -5.242 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.609 5.899 -5.532 1.00 0.00 H new ATOM 0 HD13 LEU B 6 3.249 5.637 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU B 6 3.210 2.597 -3.955 1.00 0.00 H new ATOM 0 HD22 LEU B 6 2.608 3.599 -2.613 1.00 0.00 H new ATOM 0 HD23 LEU B 6 1.548 2.378 -3.357 1.00 0.00 H new ATOM 419 N CYS B 7 -1.858 5.618 -5.334 1.00 0.00 N ATOM 420 CA CYS B 7 -3.324 5.876 -5.452 1.00 0.00 C ATOM 421 C CYS B 7 -4.068 4.595 -5.833 1.00 0.00 C ATOM 422 O CYS B 7 -4.714 3.972 -5.014 1.00 0.00 O ATOM 423 CB CYS B 7 -3.578 6.947 -6.517 1.00 0.00 C ATOM 424 SG CYS B 7 -4.692 8.210 -5.851 1.00 0.00 S ATOM 0 H CYS B 7 -1.531 4.743 -5.743 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.692 6.223 -4.486 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -2.636 7.402 -6.822 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -4.015 6.494 -7.407 1.00 0.00 H new ATOM 429 N GLY B 8 -4.005 4.212 -7.074 1.00 0.00 N ATOM 430 CA GLY B 8 -4.731 2.985 -7.517 1.00 0.00 C ATOM 431 C GLY B 8 -3.750 1.941 -8.064 1.00 0.00 C ATOM 432 O GLY B 8 -3.248 1.109 -7.335 1.00 0.00 O ATOM 0 H GLY B 8 -3.482 4.694 -7.805 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -5.288 2.564 -6.680 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.459 3.245 -8.286 1.00 0.00 H new ATOM 436 N SER B 9 -3.480 1.970 -9.343 1.00 0.00 N ATOM 437 CA SER B 9 -2.541 0.971 -9.928 1.00 0.00 C ATOM 438 C SER B 9 -1.261 0.961 -9.108 1.00 0.00 C ATOM 439 O SER B 9 -0.857 -0.046 -8.562 1.00 0.00 O ATOM 440 CB SER B 9 -2.222 1.347 -11.375 1.00 0.00 C ATOM 441 OG SER B 9 -3.412 1.789 -12.018 1.00 0.00 O ATOM 0 H SER B 9 -3.869 2.641 -10.005 1.00 0.00 H new ATOM 0 HA SER B 9 -2.999 -0.018 -9.912 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.467 2.133 -11.401 1.00 0.00 H new ATOM 0 HB3 SER B 9 -1.807 0.489 -11.903 1.00 0.00 H new ATOM 0 HG SER B 9 -3.211 2.033 -12.946 1.00 0.00 H new ATOM 447 N HIS B 10 -0.630 2.088 -9.010 1.00 0.00 N ATOM 448 CA HIS B 10 0.630 2.175 -8.215 1.00 0.00 C ATOM 449 C HIS B 10 0.374 1.807 -6.744 1.00 0.00 C ATOM 450 O HIS B 10 1.295 1.729 -5.961 1.00 0.00 O ATOM 451 CB HIS B 10 1.221 3.592 -8.280 1.00 0.00 C ATOM 452 CG HIS B 10 0.150 4.620 -8.529 1.00 0.00 C ATOM 453 ND1 HIS B 10 0.409 5.747 -9.281 1.00 0.00 N ATOM 454 CD2 HIS B 10 -1.155 4.688 -8.126 1.00 0.00 C ATOM 455 CE1 HIS B 10 -0.726 6.456 -9.315 1.00 0.00 C ATOM 456 NE2 HIS B 10 -1.710 5.851 -8.623 1.00 0.00 N ATOM 0 H HIS B 10 -0.928 2.961 -9.446 1.00 0.00 H new ATOM 0 HA HIS B 10 1.339 1.468 -8.647 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.734 3.818 -7.345 1.00 0.00 H new ATOM 0 HB3 HIS B 10 1.967 3.641 -9.073 1.00 0.00 H new ATOM 0 HD1 HIS B 10 1.294 5.993 -9.725 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -1.666 3.955 -7.520 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -0.839 7.397 -9.833 1.00 0.00 H new ATOM 464 N LEU B 11 -0.847 1.534 -6.361 1.00 0.00 N ATOM 465 CA LEU B 11 -1.101 1.141 -4.951 1.00 0.00 C ATOM 466 C LEU B 11 -1.168 -0.355 -4.938 1.00 0.00 C ATOM 467 O LEU B 11 -0.507 -1.033 -4.178 1.00 0.00 O ATOM 468 CB LEU B 11 -2.439 1.705 -4.461 1.00 0.00 C ATOM 469 CG LEU B 11 -2.207 2.937 -3.588 1.00 0.00 C ATOM 470 CD1 LEU B 11 -3.495 3.291 -2.860 1.00 0.00 C ATOM 471 CD2 LEU B 11 -1.122 2.643 -2.554 1.00 0.00 C ATOM 0 H LEU B 11 -1.671 1.567 -6.962 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.317 1.526 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -3.065 1.968 -5.314 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.976 0.945 -3.894 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.895 3.768 -4.221 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.331 4.170 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -4.278 3.504 -3.588 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.800 2.453 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -0.961 3.525 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -1.435 1.810 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -0.194 2.384 -3.064 1.00 0.00 H new ATOM 483 N VAL B 12 -1.940 -0.869 -5.831 1.00 0.00 N ATOM 484 CA VAL B 12 -2.043 -2.321 -5.952 1.00 0.00 C ATOM 485 C VAL B 12 -0.706 -2.794 -6.486 1.00 0.00 C ATOM 486 O VAL B 12 -0.241 -3.880 -6.203 1.00 0.00 O ATOM 487 CB VAL B 12 -3.160 -2.661 -6.936 1.00 0.00 C ATOM 488 CG1 VAL B 12 -4.339 -1.711 -6.717 1.00 0.00 C ATOM 489 CG2 VAL B 12 -2.647 -2.506 -8.374 1.00 0.00 C ATOM 0 H VAL B 12 -2.509 -0.335 -6.488 1.00 0.00 H new ATOM 0 HA VAL B 12 -2.273 -2.799 -5.000 1.00 0.00 H new ATOM 0 HB VAL B 12 -3.481 -3.690 -6.773 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -5.137 -1.953 -7.419 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -4.708 -1.818 -5.697 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -4.013 -0.683 -6.878 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -3.447 -2.749 -9.074 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.323 -1.478 -8.536 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.806 -3.181 -8.535 1.00 0.00 H new ATOM 499 N GLU B 13 -0.079 -1.947 -7.252 1.00 0.00 N ATOM 500 CA GLU B 13 1.236 -2.297 -7.807 1.00 0.00 C ATOM 501 C GLU B 13 2.248 -2.182 -6.676 1.00 0.00 C ATOM 502 O GLU B 13 3.042 -3.071 -6.438 1.00 0.00 O ATOM 503 CB GLU B 13 1.603 -1.339 -8.942 1.00 0.00 C ATOM 504 CG GLU B 13 0.799 -1.700 -10.193 1.00 0.00 C ATOM 505 CD GLU B 13 1.602 -1.332 -11.442 1.00 0.00 C ATOM 506 OE1 GLU B 13 1.490 -0.200 -11.881 1.00 0.00 O ATOM 507 OE2 GLU B 13 2.313 -2.190 -11.940 1.00 0.00 O ATOM 0 H GLU B 13 -0.430 -1.026 -7.513 1.00 0.00 H new ATOM 0 HA GLU B 13 1.225 -3.308 -8.215 1.00 0.00 H new ATOM 0 HB2 GLU B 13 1.394 -0.311 -8.646 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.671 -1.400 -9.153 1.00 0.00 H new ATOM 0 HG2 GLU B 13 0.571 -2.766 -10.196 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.153 -1.170 -10.191 1.00 0.00 H new ATOM 514 N ALA B 14 2.198 -1.095 -5.950 1.00 0.00 N ATOM 515 CA ALA B 14 3.121 -0.923 -4.806 1.00 0.00 C ATOM 516 C ALA B 14 2.910 -2.092 -3.850 1.00 0.00 C ATOM 517 O ALA B 14 3.847 -2.738 -3.425 1.00 0.00 O ATOM 518 CB ALA B 14 2.785 0.388 -4.100 1.00 0.00 C ATOM 0 H ALA B 14 1.553 -0.321 -6.107 1.00 0.00 H new ATOM 0 HA ALA B 14 4.158 -0.898 -5.140 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.458 0.528 -3.254 1.00 0.00 H new ATOM 0 HB2 ALA B 14 2.902 1.217 -4.798 1.00 0.00 H new ATOM 0 HB3 ALA B 14 1.755 0.356 -3.743 1.00 0.00 H new ATOM 524 N LEU B 15 1.678 -2.381 -3.524 1.00 0.00 N ATOM 525 CA LEU B 15 1.404 -3.522 -2.610 1.00 0.00 C ATOM 526 C LEU B 15 1.857 -4.807 -3.288 1.00 0.00 C ATOM 527 O LEU B 15 2.585 -5.603 -2.731 1.00 0.00 O ATOM 528 CB LEU B 15 -0.099 -3.611 -2.322 1.00 0.00 C ATOM 529 CG LEU B 15 -0.598 -2.419 -1.481 1.00 0.00 C ATOM 530 CD1 LEU B 15 -1.485 -2.952 -0.358 1.00 0.00 C ATOM 531 CD2 LEU B 15 0.559 -1.644 -0.841 1.00 0.00 C ATOM 0 H LEU B 15 0.854 -1.877 -3.851 1.00 0.00 H new ATOM 0 HA LEU B 15 1.940 -3.377 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -0.647 -3.645 -3.264 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -0.313 -4.541 -1.795 1.00 0.00 H new ATOM 0 HG LEU B 15 -1.141 -1.746 -2.144 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -1.846 -2.120 0.246 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -2.334 -3.485 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -0.909 -3.633 0.269 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.162 -0.813 -0.258 1.00 0.00 H new ATOM 0 HD22 LEU B 15 1.124 -2.308 -0.188 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.215 -1.259 -1.622 1.00 0.00 H new ATOM 543 N TYR B 16 1.431 -5.012 -4.496 1.00 0.00 N ATOM 544 CA TYR B 16 1.836 -6.244 -5.221 1.00 0.00 C ATOM 545 C TYR B 16 3.360 -6.343 -5.224 1.00 0.00 C ATOM 546 O TYR B 16 3.925 -7.400 -5.426 1.00 0.00 O ATOM 547 CB TYR B 16 1.328 -6.188 -6.664 1.00 0.00 C ATOM 548 CG TYR B 16 1.994 -7.276 -7.468 1.00 0.00 C ATOM 549 CD1 TYR B 16 1.560 -8.602 -7.345 1.00 0.00 C ATOM 550 CD2 TYR B 16 3.054 -6.962 -8.328 1.00 0.00 C ATOM 551 CE1 TYR B 16 2.186 -9.614 -8.082 1.00 0.00 C ATOM 552 CE2 TYR B 16 3.680 -7.972 -9.064 1.00 0.00 C ATOM 553 CZ TYR B 16 3.246 -9.299 -8.942 1.00 0.00 C ATOM 554 OH TYR B 16 3.864 -10.297 -9.668 1.00 0.00 O ATOM 0 H TYR B 16 0.820 -4.381 -5.015 1.00 0.00 H new ATOM 0 HA TYR B 16 1.408 -7.115 -4.724 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.246 -6.314 -6.686 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.544 -5.213 -7.100 1.00 0.00 H new ATOM 0 HD1 TYR B 16 0.743 -8.844 -6.682 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.388 -5.939 -8.422 1.00 0.00 H new ATOM 0 HE1 TYR B 16 1.852 -10.637 -7.988 1.00 0.00 H new ATOM 0 HE2 TYR B 16 4.498 -7.730 -9.726 1.00 0.00 H new ATOM 0 HH TYR B 16 4.578 -9.909 -10.215 1.00 0.00 H new ATOM 564 N LEU B 17 4.029 -5.248 -5.007 1.00 0.00 N ATOM 565 CA LEU B 17 5.517 -5.279 -5.002 1.00 0.00 C ATOM 566 C LEU B 17 6.013 -5.437 -3.567 1.00 0.00 C ATOM 567 O LEU B 17 7.063 -5.996 -3.320 1.00 0.00 O ATOM 568 CB LEU B 17 6.058 -3.979 -5.603 1.00 0.00 C ATOM 569 CG LEU B 17 7.264 -4.280 -6.499 1.00 0.00 C ATOM 570 CD1 LEU B 17 6.908 -5.385 -7.496 1.00 0.00 C ATOM 571 CD2 LEU B 17 7.650 -3.018 -7.270 1.00 0.00 C ATOM 0 H LEU B 17 3.612 -4.334 -4.833 1.00 0.00 H new ATOM 0 HA LEU B 17 5.870 -6.120 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU B 17 5.278 -3.484 -6.182 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.348 -3.293 -4.807 1.00 0.00 H new ATOM 0 HG LEU B 17 8.098 -4.606 -5.878 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.770 -5.594 -8.130 1.00 0.00 H new ATOM 0 HD12 LEU B 17 6.629 -6.288 -6.954 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.072 -5.061 -8.115 1.00 0.00 H new ATOM 0 HD21 LEU B 17 8.508 -3.230 -7.908 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.810 -2.697 -7.886 1.00 0.00 H new ATOM 0 HD23 LEU B 17 7.908 -2.226 -6.566 1.00 0.00 H new ATOM 583 N VAL B 18 5.262 -4.962 -2.612 1.00 0.00 N ATOM 584 CA VAL B 18 5.692 -5.106 -1.196 1.00 0.00 C ATOM 585 C VAL B 18 5.345 -6.513 -0.716 1.00 0.00 C ATOM 586 O VAL B 18 6.075 -7.126 0.037 1.00 0.00 O ATOM 587 CB VAL B 18 4.986 -4.061 -0.325 1.00 0.00 C ATOM 588 CG1 VAL B 18 4.903 -2.738 -1.086 1.00 0.00 C ATOM 589 CG2 VAL B 18 3.572 -4.535 0.029 1.00 0.00 C ATOM 0 H VAL B 18 4.373 -4.482 -2.752 1.00 0.00 H new ATOM 0 HA VAL B 18 6.768 -4.949 -1.119 1.00 0.00 H new ATOM 0 HB VAL B 18 5.554 -3.923 0.595 1.00 0.00 H new ATOM 0 HG11 VAL B 18 4.401 -1.994 -0.468 1.00 0.00 H new ATOM 0 HG12 VAL B 18 5.909 -2.392 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL B 18 4.340 -2.883 -2.008 1.00 0.00 H new ATOM 0 HG21 VAL B 18 3.081 -3.784 0.648 1.00 0.00 H new ATOM 0 HG22 VAL B 18 2.998 -4.683 -0.886 1.00 0.00 H new ATOM 0 HG23 VAL B 18 3.630 -5.475 0.577 1.00 0.00 H new ATOM 599 N CYS B 19 4.233 -7.028 -1.154 1.00 0.00 N ATOM 600 CA CYS B 19 3.828 -8.398 -0.738 1.00 0.00 C ATOM 601 C CYS B 19 4.292 -9.402 -1.793 1.00 0.00 C ATOM 602 O CYS B 19 4.311 -10.595 -1.565 1.00 0.00 O ATOM 603 CB CYS B 19 2.306 -8.454 -0.605 1.00 0.00 C ATOM 604 SG CYS B 19 1.762 -7.143 0.516 1.00 0.00 S ATOM 0 H CYS B 19 3.584 -6.558 -1.785 1.00 0.00 H new ATOM 0 HA CYS B 19 4.284 -8.645 0.221 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.838 -8.332 -1.582 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.997 -9.427 -0.223 1.00 0.00 H new ATOM 609 N GLY B 20 4.676 -8.923 -2.944 1.00 0.00 N ATOM 610 CA GLY B 20 5.149 -9.844 -4.017 1.00 0.00 C ATOM 611 C GLY B 20 4.051 -10.853 -4.356 1.00 0.00 C ATOM 612 O GLY B 20 2.922 -10.493 -4.628 1.00 0.00 O ATOM 0 H GLY B 20 4.683 -7.933 -3.189 1.00 0.00 H new ATOM 0 HA2 GLY B 20 5.418 -9.273 -4.906 1.00 0.00 H new ATOM 0 HA3 GLY B 20 6.048 -10.367 -3.690 1.00 0.00 H new ATOM 616 N GLU B 21 4.374 -12.118 -4.346 1.00 0.00 N ATOM 617 CA GLU B 21 3.354 -13.153 -4.673 1.00 0.00 C ATOM 618 C GLU B 21 2.295 -13.200 -3.569 1.00 0.00 C ATOM 619 O GLU B 21 1.133 -13.448 -3.822 1.00 0.00 O ATOM 620 CB GLU B 21 4.034 -14.520 -4.788 1.00 0.00 C ATOM 621 CG GLU B 21 2.976 -15.598 -5.031 1.00 0.00 C ATOM 622 CD GLU B 21 3.488 -16.588 -6.079 1.00 0.00 C ATOM 623 OE1 GLU B 21 4.589 -17.084 -5.909 1.00 0.00 O ATOM 624 OE2 GLU B 21 2.770 -16.833 -7.035 1.00 0.00 O ATOM 0 H GLU B 21 5.302 -12.479 -4.125 1.00 0.00 H new ATOM 0 HA GLU B 21 2.876 -12.903 -5.620 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.755 -14.512 -5.606 1.00 0.00 H new ATOM 0 HB3 GLU B 21 4.589 -14.740 -3.876 1.00 0.00 H new ATOM 0 HG2 GLU B 21 2.753 -16.120 -4.100 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.047 -15.141 -5.371 1.00 0.00 H new ATOM 631 N ARG B 22 2.684 -12.961 -2.349 1.00 0.00 N ATOM 632 CA ARG B 22 1.696 -12.992 -1.233 1.00 0.00 C ATOM 633 C ARG B 22 0.487 -12.136 -1.607 1.00 0.00 C ATOM 634 O ARG B 22 -0.616 -12.360 -1.148 1.00 0.00 O ATOM 635 CB ARG B 22 2.342 -12.435 0.038 1.00 0.00 C ATOM 636 CG ARG B 22 1.748 -13.137 1.261 1.00 0.00 C ATOM 637 CD ARG B 22 2.814 -14.019 1.911 1.00 0.00 C ATOM 638 NE ARG B 22 3.155 -13.475 3.255 1.00 0.00 N ATOM 639 CZ ARG B 22 2.863 -14.156 4.329 1.00 0.00 C ATOM 640 NH1 ARG B 22 2.948 -15.458 4.318 1.00 0.00 N ATOM 641 NH2 ARG B 22 2.487 -13.535 5.414 1.00 0.00 N ATOM 0 H ARG B 22 3.643 -12.745 -2.075 1.00 0.00 H new ATOM 0 HA ARG B 22 1.377 -14.019 -1.056 1.00 0.00 H new ATOM 0 HB2 ARG B 22 3.421 -12.586 0.007 1.00 0.00 H new ATOM 0 HB3 ARG B 22 2.173 -11.360 0.104 1.00 0.00 H new ATOM 0 HG2 ARG B 22 1.386 -12.399 1.977 1.00 0.00 H new ATOM 0 HG3 ARG B 22 0.891 -13.742 0.966 1.00 0.00 H new ATOM 0 HD2 ARG B 22 2.449 -15.042 2.003 1.00 0.00 H new ATOM 0 HD3 ARG B 22 3.705 -14.054 1.284 1.00 0.00 H new ATOM 0 HE ARG B 22 3.617 -12.569 3.336 1.00 0.00 H new ATOM 0 HH11 ARG B 22 3.243 -15.943 3.470 1.00 0.00 H new ATOM 0 HH12 ARG B 22 2.720 -15.991 5.157 1.00 0.00 H new ATOM 0 HH21 ARG B 22 2.421 -12.517 5.422 1.00 0.00 H new ATOM 0 HH22 ARG B 22 2.259 -14.068 6.253 1.00 0.00 H new ATOM 655 N GLY B 23 0.690 -11.159 -2.440 1.00 0.00 N ATOM 656 CA GLY B 23 -0.437 -10.279 -2.857 1.00 0.00 C ATOM 657 C GLY B 23 -0.932 -9.474 -1.654 1.00 0.00 C ATOM 658 O GLY B 23 -0.287 -9.415 -0.626 1.00 0.00 O ATOM 0 H GLY B 23 1.593 -10.929 -2.854 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -0.111 -9.605 -3.649 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -1.250 -10.880 -3.264 1.00 0.00 H new ATOM 662 N PHE B 24 -2.070 -8.846 -1.775 1.00 0.00 N ATOM 663 CA PHE B 24 -2.599 -8.037 -0.639 1.00 0.00 C ATOM 664 C PHE B 24 -4.114 -7.879 -0.783 1.00 0.00 C ATOM 665 O PHE B 24 -4.718 -8.399 -1.700 1.00 0.00 O ATOM 666 CB PHE B 24 -1.947 -6.654 -0.664 1.00 0.00 C ATOM 667 CG PHE B 24 -2.016 -6.099 -2.065 1.00 0.00 C ATOM 668 CD1 PHE B 24 -1.242 -6.669 -3.082 1.00 0.00 C ATOM 669 CD2 PHE B 24 -2.858 -5.016 -2.350 1.00 0.00 C ATOM 670 CE1 PHE B 24 -1.310 -6.158 -4.383 1.00 0.00 C ATOM 671 CE2 PHE B 24 -2.924 -4.503 -3.652 1.00 0.00 C ATOM 672 CZ PHE B 24 -2.150 -5.075 -4.670 1.00 0.00 C ATOM 0 H PHE B 24 -2.656 -8.858 -2.610 1.00 0.00 H new ATOM 0 HA PHE B 24 -2.373 -8.539 0.302 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -2.457 -5.986 0.030 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -0.909 -6.722 -0.337 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -0.592 -7.503 -2.863 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.456 -4.576 -1.566 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -0.713 -6.600 -5.167 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -3.571 -3.667 -3.871 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.201 -4.681 -5.674 1.00 0.00 H new ATOM 682 N PHE B 25 -4.730 -7.160 0.116 1.00 0.00 N ATOM 683 CA PHE B 25 -6.204 -6.964 0.028 1.00 0.00 C ATOM 684 C PHE B 25 -6.496 -5.567 -0.519 1.00 0.00 C ATOM 685 O PHE B 25 -7.495 -5.340 -1.171 1.00 0.00 O ATOM 686 CB PHE B 25 -6.825 -7.109 1.418 1.00 0.00 C ATOM 687 CG PHE B 25 -8.330 -7.122 1.297 1.00 0.00 C ATOM 688 CD1 PHE B 25 -8.954 -8.035 0.435 1.00 0.00 C ATOM 689 CD2 PHE B 25 -9.102 -6.223 2.045 1.00 0.00 C ATOM 690 CE1 PHE B 25 -10.351 -8.047 0.322 1.00 0.00 C ATOM 691 CE2 PHE B 25 -10.499 -6.235 1.931 1.00 0.00 C ATOM 692 CZ PHE B 25 -11.123 -7.147 1.069 1.00 0.00 C ATOM 0 H PHE B 25 -4.277 -6.701 0.906 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.632 -7.714 -0.637 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -6.479 -8.029 1.888 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.508 -6.285 2.058 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -8.359 -8.728 -0.141 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -8.621 -5.521 2.709 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -10.833 -8.750 -0.341 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -11.094 -5.542 2.507 1.00 0.00 H new ATOM 0 HZ PHE B 25 -12.199 -7.156 0.980 1.00 0.00 H new ATOM 702 N TYR B 26 -5.626 -4.635 -0.260 1.00 0.00 N ATOM 703 CA TYR B 26 -5.840 -3.249 -0.766 1.00 0.00 C ATOM 704 C TYR B 26 -7.186 -2.721 -0.264 1.00 0.00 C ATOM 705 O TYR B 26 -8.236 -3.193 -0.657 1.00 0.00 O ATOM 706 CB TYR B 26 -5.833 -3.263 -2.296 1.00 0.00 C ATOM 707 CG TYR B 26 -5.881 -1.847 -2.820 1.00 0.00 C ATOM 708 CD1 TYR B 26 -5.056 -0.860 -2.260 1.00 0.00 C ATOM 709 CD2 TYR B 26 -6.752 -1.522 -3.867 1.00 0.00 C ATOM 710 CE1 TYR B 26 -5.105 0.451 -2.752 1.00 0.00 C ATOM 711 CE2 TYR B 26 -6.800 -0.211 -4.359 1.00 0.00 C ATOM 712 CZ TYR B 26 -5.978 0.776 -3.800 1.00 0.00 C ATOM 713 OH TYR B 26 -6.027 2.067 -4.284 1.00 0.00 O ATOM 0 H TYR B 26 -4.773 -4.771 0.282 1.00 0.00 H new ATOM 0 HA TYR B 26 -5.042 -2.601 -0.403 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -4.937 -3.765 -2.660 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -6.688 -3.827 -2.668 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.385 -1.110 -1.452 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -7.388 -2.283 -4.296 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -4.470 1.212 -2.324 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -7.470 0.038 -5.168 1.00 0.00 H new ATOM 0 HH TYR B 26 -5.158 2.305 -4.670 1.00 0.00 H new ATOM 723 N THR B 27 -7.167 -1.741 0.598 1.00 0.00 N ATOM 724 CA THR B 27 -8.444 -1.182 1.120 1.00 0.00 C ATOM 725 C THR B 27 -8.820 0.062 0.313 1.00 0.00 C ATOM 726 O THR B 27 -8.017 0.953 0.123 1.00 0.00 O ATOM 727 CB THR B 27 -8.273 -0.800 2.593 1.00 0.00 C ATOM 728 OG1 THR B 27 -7.079 -0.047 2.748 1.00 0.00 O ATOM 729 CG2 THR B 27 -8.195 -2.068 3.445 1.00 0.00 C ATOM 0 H THR B 27 -6.321 -1.304 0.963 1.00 0.00 H new ATOM 0 HA THR B 27 -9.232 -1.930 1.029 1.00 0.00 H new ATOM 0 HB THR B 27 -9.125 -0.201 2.916 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.968 0.200 3.690 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.073 -1.795 4.493 1.00 0.00 H new ATOM 0 HG22 THR B 27 -9.112 -2.644 3.324 1.00 0.00 H new ATOM 0 HG23 THR B 27 -7.344 -2.669 3.125 1.00 0.00 H new ATOM 737 N LYS B 28 -10.031 0.130 -0.165 1.00 0.00 N ATOM 738 CA LYS B 28 -10.449 1.319 -0.960 1.00 0.00 C ATOM 739 C LYS B 28 -11.789 1.840 -0.435 1.00 0.00 C ATOM 740 O LYS B 28 -12.535 1.113 0.190 1.00 0.00 O ATOM 741 CB LYS B 28 -10.592 0.926 -2.432 1.00 0.00 C ATOM 742 CG LYS B 28 -9.501 1.620 -3.250 1.00 0.00 C ATOM 743 CD LYS B 28 -9.730 1.356 -4.739 1.00 0.00 C ATOM 744 CE LYS B 28 -10.965 2.124 -5.209 1.00 0.00 C ATOM 745 NZ LYS B 28 -11.145 1.927 -6.676 1.00 0.00 N ATOM 0 H LYS B 28 -10.748 -0.584 -0.040 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.695 2.101 -0.867 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -10.511 -0.156 -2.541 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -11.577 1.211 -2.802 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -9.512 2.692 -3.054 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.519 1.252 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.856 1.665 -5.313 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -9.864 0.288 -4.913 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -11.848 1.776 -4.674 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -10.854 3.185 -4.985 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.985 2.450 -6.996 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.306 2.279 -7.179 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.270 0.914 -6.878 1.00 0.00 H new ATOM 759 N PRO B 29 -12.052 3.095 -0.708 1.00 0.00 N ATOM 760 CA PRO B 29 -13.293 3.759 -0.276 1.00 0.00 C ATOM 761 C PRO B 29 -14.457 3.364 -1.188 1.00 0.00 C ATOM 762 O PRO B 29 -14.960 4.162 -1.954 1.00 0.00 O ATOM 763 CB PRO B 29 -12.975 5.245 -0.421 1.00 0.00 C ATOM 764 CG PRO B 29 -11.815 5.347 -1.440 1.00 0.00 C ATOM 765 CD PRO B 29 -11.135 3.966 -1.471 1.00 0.00 C ATOM 0 HA PRO B 29 -13.592 3.487 0.736 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -13.848 5.797 -0.770 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -12.688 5.676 0.538 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -12.189 5.617 -2.428 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -11.107 6.121 -1.145 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -11.004 3.609 -2.493 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -10.145 3.999 -1.016 1.00 0.00 H new ATOM 773 N THR B 30 -14.887 2.140 -1.106 1.00 0.00 N ATOM 774 CA THR B 30 -16.020 1.690 -1.961 1.00 0.00 C ATOM 775 C THR B 30 -15.715 2.017 -3.425 1.00 0.00 C ATOM 776 O THR B 30 -16.652 2.275 -4.162 1.00 0.00 O ATOM 777 CB THR B 30 -17.300 2.412 -1.533 1.00 0.00 C ATOM 778 OG1 THR B 30 -17.313 2.546 -0.118 1.00 0.00 O ATOM 779 CG2 THR B 30 -18.520 1.608 -1.983 1.00 0.00 C ATOM 780 OXT THR B 30 -14.549 2.006 -3.783 1.00 0.00 O ATOM 0 H THR B 30 -14.504 1.429 -0.483 1.00 0.00 H new ATOM 0 HA THR B 30 -16.155 0.614 -1.849 1.00 0.00 H new ATOM 0 HB THR B 30 -17.332 3.399 -1.994 1.00 0.00 H new ATOM 0 HG1 THR B 30 -18.131 3.010 0.159 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.430 2.125 -1.677 1.00 0.00 H new ATOM 0 HG22 THR B 30 -18.509 1.506 -3.068 1.00 0.00 H new ATOM 0 HG23 THR B 30 -18.493 0.619 -1.525 1.00 0.00 H new TER 788 THR B 30