USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 406 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 1 GLY N :NH3+ -117:sc= 0.31 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0907 K(o=-0.091,f=-1.3) USER MOD Single : A 8 THR OG1 : rot -83:sc= 1.21 USER MOD Single : A 9 SER OG : rot 180:sc= 0.199 USER MOD Single : A 12 SER OG : rot 180:sc= 0.106 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.156 X(o=0.16,f=0) USER MOD Single : A 18 ASN : amide:sc= 0.926 K(o=0.93,f=0) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0.519 K(o=0.52,f=-0.076) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : B 1 PHE N :NH3+ -133:sc= 0.139 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 4 GLN : amide:sc=-0.00424 X(o=-0.0042,f=0) USER MOD Single : B 5 HIS :FLIP no HE2:sc= -0.03 F(o=-0.6,f=-0.03) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HE2:sc= 0.946 K(o=0.95,f=-2.9!) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 160:sc= 0.536 USER MOD Single : B 29 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 -6.206 6.293 -4.686 1.00 0.00 N ATOM 2 CA GLY A 1 -6.188 4.837 -4.961 1.00 0.00 C ATOM 3 C GLY A 1 -4.779 4.317 -5.211 1.00 0.00 C ATOM 4 O GLY A 1 -3.799 5.026 -4.981 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.560 6.460 -3.723 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.242 6.674 -4.771 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.828 6.768 -5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.626 4.304 -4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.811 4.625 -5.830 1.00 0.00 H new ATOM 10 N ILE A 2 -4.657 3.075 -5.693 1.00 0.00 N ATOM 11 CA ILE A 2 -3.371 2.352 -5.818 1.00 0.00 C ATOM 12 C ILE A 2 -2.527 2.877 -6.988 1.00 0.00 C ATOM 13 O ILE A 2 -1.308 2.975 -6.879 1.00 0.00 O ATOM 14 CB ILE A 2 -3.633 0.833 -5.900 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.345 0.054 -6.233 1.00 0.00 C ATOM 16 CG2 ILE A 2 -4.709 0.546 -6.950 1.00 0.00 C ATOM 17 CD1 ILE A 2 -2.400 -1.466 -6.052 1.00 0.00 C ATOM 0 H ILE A 2 -5.457 2.529 -6.014 1.00 0.00 H new ATOM 0 HA ILE A 2 -2.774 2.540 -4.925 1.00 0.00 H new ATOM 0 HB ILE A 2 -3.981 0.498 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -2.077 0.265 -7.268 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.540 0.443 -5.609 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -4.889 -0.528 -7.003 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.632 1.055 -6.674 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.373 0.906 -7.923 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.436 -1.899 -6.317 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -2.629 -1.701 -5.013 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.174 -1.881 -6.697 1.00 0.00 H new ATOM 29 N VAL A 3 -3.182 3.288 -8.077 1.00 0.00 N ATOM 30 CA VAL A 3 -2.643 4.048 -9.210 1.00 0.00 C ATOM 31 C VAL A 3 -1.673 5.136 -8.791 1.00 0.00 C ATOM 32 O VAL A 3 -0.620 5.277 -9.406 1.00 0.00 O ATOM 33 CB VAL A 3 -3.803 4.710 -9.970 1.00 0.00 C ATOM 34 CG1 VAL A 3 -3.332 5.298 -11.309 1.00 0.00 C ATOM 35 CG2 VAL A 3 -4.987 3.771 -10.273 1.00 0.00 C ATOM 0 H VAL A 3 -4.174 3.084 -8.200 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.099 3.339 -9.834 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.150 5.489 -9.291 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -4.177 5.759 -11.821 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.564 6.050 -11.126 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.920 4.503 -11.931 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.759 4.321 -10.811 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.643 2.937 -10.885 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.398 3.390 -9.338 1.00 0.00 H new ATOM 45 N GLU A 4 -1.980 5.868 -7.720 1.00 0.00 N ATOM 46 CA GLU A 4 -1.120 6.958 -7.266 1.00 0.00 C ATOM 47 C GLU A 4 0.275 6.440 -6.856 1.00 0.00 C ATOM 48 O GLU A 4 1.289 7.082 -7.137 1.00 0.00 O ATOM 49 CB GLU A 4 -1.811 7.711 -6.118 1.00 0.00 C ATOM 50 CG GLU A 4 -1.044 8.974 -5.712 1.00 0.00 C ATOM 51 CD GLU A 4 -1.819 9.768 -4.639 1.00 0.00 C ATOM 52 OE1 GLU A 4 -2.755 10.524 -4.996 1.00 0.00 O ATOM 53 OE2 GLU A 4 -1.498 9.642 -3.431 1.00 0.00 O ATOM 0 H GLU A 4 -2.816 5.726 -7.153 1.00 0.00 H new ATOM 0 HA GLU A 4 -0.962 7.653 -8.090 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.822 7.983 -6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.903 7.051 -5.256 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -0.061 8.700 -5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.880 9.602 -6.588 1.00 0.00 H new ATOM 60 N GLN A 5 0.332 5.240 -6.269 1.00 0.00 N ATOM 61 CA GLN A 5 1.559 4.515 -5.928 1.00 0.00 C ATOM 62 C GLN A 5 2.192 3.842 -7.151 1.00 0.00 C ATOM 63 O GLN A 5 3.383 3.997 -7.397 1.00 0.00 O ATOM 64 CB GLN A 5 1.225 3.450 -4.865 1.00 0.00 C ATOM 65 CG GLN A 5 2.440 3.001 -4.039 1.00 0.00 C ATOM 66 CD GLN A 5 3.041 4.122 -3.191 1.00 0.00 C ATOM 67 OE1 GLN A 5 4.080 4.682 -3.505 1.00 0.00 O ATOM 68 NE2 GLN A 5 2.420 4.498 -2.094 1.00 0.00 N ATOM 0 H GLN A 5 -0.510 4.727 -6.008 1.00 0.00 H new ATOM 0 HA GLN A 5 2.283 5.233 -5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.465 3.847 -4.192 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.791 2.581 -5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 5 2.144 2.180 -3.386 1.00 0.00 H new ATOM 0 HG3 GLN A 5 3.205 2.613 -4.712 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.551 4.041 -1.818 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.807 5.247 -1.520 1.00 0.00 H new ATOM 77 N CYS A 6 1.406 3.089 -7.915 1.00 0.00 N ATOM 78 CA CYS A 6 1.923 2.227 -8.989 1.00 0.00 C ATOM 79 C CYS A 6 2.364 2.983 -10.241 1.00 0.00 C ATOM 80 O CYS A 6 3.294 2.539 -10.904 1.00 0.00 O ATOM 81 CB CYS A 6 0.935 1.110 -9.327 1.00 0.00 C ATOM 82 SG CYS A 6 0.559 0.041 -7.910 1.00 0.00 S ATOM 0 H CYS A 6 0.392 3.055 -7.812 1.00 0.00 H new ATOM 0 HA CYS A 6 2.833 1.777 -8.591 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.010 1.551 -9.698 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.344 0.503 -10.134 1.00 0.00 H new ATOM 87 N CYS A 7 1.750 4.124 -10.555 1.00 0.00 N ATOM 88 CA CYS A 7 2.090 4.911 -11.740 1.00 0.00 C ATOM 89 C CYS A 7 3.282 5.864 -11.470 1.00 0.00 C ATOM 90 O CYS A 7 4.083 6.112 -12.374 1.00 0.00 O ATOM 91 CB CYS A 7 0.811 5.650 -12.178 1.00 0.00 C ATOM 92 SG CYS A 7 0.972 6.820 -13.548 1.00 0.00 S ATOM 0 H CYS A 7 1.001 4.529 -9.993 1.00 0.00 H new ATOM 0 HA CYS A 7 2.430 4.267 -12.551 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.066 4.904 -12.454 1.00 0.00 H new ATOM 0 HB3 CYS A 7 0.418 6.189 -11.316 1.00 0.00 H new ATOM 97 N THR A 8 3.440 6.373 -10.235 1.00 0.00 N ATOM 98 CA THR A 8 4.537 7.298 -9.857 1.00 0.00 C ATOM 99 C THR A 8 5.723 6.617 -9.177 1.00 0.00 C ATOM 100 O THR A 8 6.871 7.000 -9.411 1.00 0.00 O ATOM 101 CB THR A 8 4.069 8.461 -8.966 1.00 0.00 C ATOM 102 OG1 THR A 8 3.793 8.054 -7.642 1.00 0.00 O ATOM 103 CG2 THR A 8 2.846 9.171 -9.526 1.00 0.00 C ATOM 0 H THR A 8 2.810 6.156 -9.463 1.00 0.00 H new ATOM 0 HA THR A 8 4.870 7.689 -10.818 1.00 0.00 H new ATOM 0 HB THR A 8 4.907 9.157 -8.954 1.00 0.00 H new ATOM 0 HG1 THR A 8 2.887 7.684 -7.596 1.00 0.00 H new ATOM 0 HG21 THR A 8 2.559 9.983 -8.858 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.080 9.577 -10.510 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.022 8.463 -9.612 1.00 0.00 H new ATOM 111 N SER A 9 5.457 5.588 -8.369 1.00 0.00 N ATOM 112 CA SER A 9 6.457 4.697 -7.769 1.00 0.00 C ATOM 113 C SER A 9 6.299 3.288 -8.366 1.00 0.00 C ATOM 114 O SER A 9 5.935 3.149 -9.535 1.00 0.00 O ATOM 115 CB SER A 9 6.383 4.770 -6.232 1.00 0.00 C ATOM 116 OG SER A 9 7.450 4.066 -5.616 1.00 0.00 O ATOM 0 H SER A 9 4.503 5.342 -8.104 1.00 0.00 H new ATOM 0 HA SER A 9 7.470 5.015 -8.014 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.407 5.813 -5.917 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.433 4.356 -5.894 1.00 0.00 H new ATOM 0 HG SER A 9 7.369 4.137 -4.642 1.00 0.00 H new ATOM 122 N ILE A 10 6.604 2.243 -7.601 1.00 0.00 N ATOM 123 CA ILE A 10 6.755 0.862 -8.069 1.00 0.00 C ATOM 124 C ILE A 10 5.866 -0.140 -7.322 1.00 0.00 C ATOM 125 O ILE A 10 5.642 -0.034 -6.112 1.00 0.00 O ATOM 126 CB ILE A 10 8.248 0.461 -8.052 1.00 0.00 C ATOM 127 CG1 ILE A 10 8.874 0.690 -6.654 1.00 0.00 C ATOM 128 CG2 ILE A 10 8.990 1.217 -9.168 1.00 0.00 C ATOM 129 CD1 ILE A 10 10.390 0.542 -6.582 1.00 0.00 C ATOM 0 H ILE A 10 6.760 2.336 -6.597 1.00 0.00 H new ATOM 0 HA ILE A 10 6.398 0.825 -9.098 1.00 0.00 H new ATOM 0 HB ILE A 10 8.342 -0.607 -8.250 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.608 1.691 -6.315 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.424 -0.014 -5.954 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.043 0.937 -9.159 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.554 0.960 -10.133 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.899 2.291 -9.003 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.725 0.723 -5.561 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.672 -0.467 -6.883 1.00 0.00 H new ATOM 0 HD13 ILE A 10 10.858 1.264 -7.250 1.00 0.00 H new ATOM 141 N CYS A 11 5.369 -1.132 -8.063 1.00 0.00 N ATOM 142 CA CYS A 11 4.417 -2.139 -7.601 1.00 0.00 C ATOM 143 C CYS A 11 4.678 -3.545 -8.180 1.00 0.00 C ATOM 144 O CYS A 11 5.387 -3.724 -9.175 1.00 0.00 O ATOM 145 CB CYS A 11 3.000 -1.674 -7.959 1.00 0.00 C ATOM 146 SG CYS A 11 2.346 -0.295 -7.001 1.00 0.00 S ATOM 0 H CYS A 11 5.630 -1.259 -9.041 1.00 0.00 H new ATOM 0 HA CYS A 11 4.537 -2.234 -6.522 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.988 -1.395 -9.013 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.323 -2.521 -7.846 1.00 0.00 H new ATOM 151 N SER A 12 4.068 -4.541 -7.533 1.00 0.00 N ATOM 152 CA SER A 12 4.103 -5.981 -7.831 1.00 0.00 C ATOM 153 C SER A 12 2.841 -6.652 -7.261 1.00 0.00 C ATOM 154 O SER A 12 1.938 -5.952 -6.793 1.00 0.00 O ATOM 155 CB SER A 12 5.357 -6.580 -7.188 1.00 0.00 C ATOM 156 OG SER A 12 5.271 -6.485 -5.777 1.00 0.00 O ATOM 0 H SER A 12 3.487 -4.348 -6.717 1.00 0.00 H new ATOM 0 HA SER A 12 4.130 -6.146 -8.908 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.465 -7.623 -7.485 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.244 -6.055 -7.543 1.00 0.00 H new ATOM 0 HG SER A 12 6.076 -6.872 -5.373 1.00 0.00 H new ATOM 162 N LEU A 13 2.763 -7.989 -7.187 1.00 0.00 N ATOM 163 CA LEU A 13 1.654 -8.648 -6.475 1.00 0.00 C ATOM 164 C LEU A 13 1.627 -8.355 -4.962 1.00 0.00 C ATOM 165 O LEU A 13 0.608 -8.579 -4.309 1.00 0.00 O ATOM 166 CB LEU A 13 1.548 -10.149 -6.816 1.00 0.00 C ATOM 167 CG LEU A 13 2.807 -11.016 -6.705 1.00 0.00 C ATOM 168 CD1 LEU A 13 3.367 -11.076 -5.284 1.00 0.00 C ATOM 169 CD2 LEU A 13 2.474 -12.446 -7.145 1.00 0.00 C ATOM 0 H LEU A 13 3.441 -8.627 -7.603 1.00 0.00 H new ATOM 0 HA LEU A 13 0.741 -8.189 -6.855 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.788 -10.583 -6.166 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.178 -10.231 -7.838 1.00 0.00 H new ATOM 0 HG LEU A 13 3.562 -10.560 -7.345 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.257 -11.705 -5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.627 -10.071 -4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.616 -11.496 -4.614 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.366 -13.067 -7.068 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.693 -12.852 -6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.126 -12.437 -8.178 1.00 0.00 H new ATOM 181 N TYR A 14 2.685 -7.748 -4.417 1.00 0.00 N ATOM 182 CA TYR A 14 2.701 -7.216 -3.056 1.00 0.00 C ATOM 183 C TYR A 14 1.817 -5.962 -2.901 1.00 0.00 C ATOM 184 O TYR A 14 1.459 -5.599 -1.778 1.00 0.00 O ATOM 185 CB TYR A 14 4.159 -6.955 -2.651 1.00 0.00 C ATOM 186 CG TYR A 14 4.495 -7.479 -1.272 1.00 0.00 C ATOM 187 CD1 TYR A 14 4.827 -8.840 -1.132 1.00 0.00 C ATOM 188 CD2 TYR A 14 4.452 -6.636 -0.146 1.00 0.00 C ATOM 189 CE1 TYR A 14 5.136 -9.364 0.139 1.00 0.00 C ATOM 190 CE2 TYR A 14 4.756 -7.157 1.128 1.00 0.00 C ATOM 191 CZ TYR A 14 5.104 -8.520 1.274 1.00 0.00 C ATOM 192 OH TYR A 14 5.404 -9.009 2.508 1.00 0.00 O ATOM 0 H TYR A 14 3.564 -7.612 -4.916 1.00 0.00 H new ATOM 0 HA TYR A 14 2.266 -7.953 -2.381 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.821 -7.420 -3.381 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.352 -5.883 -2.683 1.00 0.00 H new ATOM 0 HD1 TYR A 14 4.845 -9.483 -2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.187 -5.595 -0.257 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.396 -10.407 0.246 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.723 -6.514 1.995 1.00 0.00 H new ATOM 0 HH TYR A 14 5.333 -8.291 3.171 1.00 0.00 H new ATOM 202 N GLN A 15 1.443 -5.309 -4.016 1.00 0.00 N ATOM 203 CA GLN A 15 0.569 -4.128 -4.044 1.00 0.00 C ATOM 204 C GLN A 15 -0.744 -4.418 -4.797 1.00 0.00 C ATOM 205 O GLN A 15 -1.824 -4.185 -4.256 1.00 0.00 O ATOM 206 CB GLN A 15 1.329 -2.941 -4.666 1.00 0.00 C ATOM 207 CG GLN A 15 2.647 -2.616 -3.928 1.00 0.00 C ATOM 208 CD GLN A 15 2.700 -1.192 -3.377 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.918 -0.800 -2.520 1.00 0.00 O ATOM 210 NE2 GLN A 15 3.630 -0.361 -3.805 1.00 0.00 N ATOM 0 H GLN A 15 1.750 -5.598 -4.945 1.00 0.00 H new ATOM 0 HA GLN A 15 0.293 -3.869 -3.022 1.00 0.00 H new ATOM 0 HB2 GLN A 15 1.549 -3.164 -5.710 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.687 -2.060 -4.657 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.778 -3.320 -3.106 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.483 -2.764 -4.611 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.294 -0.662 -4.518 1.00 0.00 H new ATOM 0 HE22 GLN A 15 3.685 0.583 -3.423 1.00 0.00 H new ATOM 219 N LEU A 16 -0.672 -4.991 -6.004 1.00 0.00 N ATOM 220 CA LEU A 16 -1.801 -5.220 -6.922 1.00 0.00 C ATOM 221 C LEU A 16 -2.821 -6.252 -6.431 1.00 0.00 C ATOM 222 O LEU A 16 -3.980 -6.192 -6.834 1.00 0.00 O ATOM 223 CB LEU A 16 -1.238 -5.728 -8.252 1.00 0.00 C ATOM 224 CG LEU A 16 -0.664 -4.714 -9.237 1.00 0.00 C ATOM 225 CD1 LEU A 16 -1.778 -3.917 -9.880 1.00 0.00 C ATOM 226 CD2 LEU A 16 0.287 -3.691 -8.644 1.00 0.00 C ATOM 0 H LEU A 16 0.213 -5.324 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.325 -4.268 -7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.453 -6.450 -8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.033 -6.271 -8.762 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.105 -5.331 -9.941 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.353 -3.198 -10.580 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.447 -4.592 -10.414 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.337 -3.386 -9.109 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.636 -3.020 -9.429 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.231 -3.114 -7.877 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.140 -4.203 -8.199 1.00 0.00 H new ATOM 238 N GLU A 17 -2.438 -7.198 -5.567 1.00 0.00 N ATOM 239 CA GLU A 17 -3.356 -8.260 -5.124 1.00 0.00 C ATOM 240 C GLU A 17 -4.423 -7.724 -4.145 1.00 0.00 C ATOM 241 O GLU A 17 -5.372 -8.420 -3.786 1.00 0.00 O ATOM 242 CB GLU A 17 -2.556 -9.465 -4.603 1.00 0.00 C ATOM 243 CG GLU A 17 -3.282 -10.796 -4.852 1.00 0.00 C ATOM 244 CD GLU A 17 -2.627 -12.015 -4.168 1.00 0.00 C ATOM 245 OE1 GLU A 17 -1.569 -11.899 -3.500 1.00 0.00 O ATOM 246 OE2 GLU A 17 -3.182 -13.133 -4.312 1.00 0.00 O ATOM 0 H GLU A 17 -1.504 -7.253 -5.161 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.931 -8.621 -5.977 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.581 -9.489 -5.089 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.377 -9.345 -3.535 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -4.310 -10.707 -4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.326 -10.977 -5.926 1.00 0.00 H new ATOM 253 N ASN A 18 -4.304 -6.440 -3.793 1.00 0.00 N ATOM 254 CA ASN A 18 -5.320 -5.660 -3.089 1.00 0.00 C ATOM 255 C ASN A 18 -6.485 -5.245 -4.003 1.00 0.00 C ATOM 256 O ASN A 18 -7.553 -4.906 -3.490 1.00 0.00 O ATOM 257 CB ASN A 18 -4.674 -4.408 -2.477 1.00 0.00 C ATOM 258 CG ASN A 18 -3.764 -4.727 -1.303 1.00 0.00 C ATOM 259 OD1 ASN A 18 -4.202 -5.001 -0.195 1.00 0.00 O ATOM 260 ND2 ASN A 18 -2.468 -4.712 -1.508 1.00 0.00 N ATOM 0 H ASN A 18 -3.465 -5.898 -3.999 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.733 -6.297 -2.307 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.100 -3.889 -3.245 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -5.457 -3.725 -2.148 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.828 -4.929 -0.744 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.100 -4.484 -2.432 1.00 0.00 H new ATOM 267 N TYR A 19 -6.319 -5.265 -5.335 1.00 0.00 N ATOM 268 CA TYR A 19 -7.428 -4.925 -6.235 1.00 0.00 C ATOM 269 C TYR A 19 -8.389 -6.099 -6.434 1.00 0.00 C ATOM 270 O TYR A 19 -9.584 -5.889 -6.669 1.00 0.00 O ATOM 271 CB TYR A 19 -6.888 -4.594 -7.613 1.00 0.00 C ATOM 272 CG TYR A 19 -6.395 -3.204 -7.889 1.00 0.00 C ATOM 273 CD1 TYR A 19 -7.304 -2.141 -8.043 1.00 0.00 C ATOM 274 CD2 TYR A 19 -5.077 -3.083 -8.336 1.00 0.00 C ATOM 275 CE1 TYR A 19 -6.913 -0.999 -8.768 1.00 0.00 C ATOM 276 CE2 TYR A 19 -4.729 -2.020 -9.178 1.00 0.00 C ATOM 277 CZ TYR A 19 -5.660 -0.981 -9.425 1.00 0.00 C ATOM 278 OH TYR A 19 -5.345 0.054 -10.249 1.00 0.00 O ATOM 0 H TYR A 19 -5.446 -5.508 -5.803 1.00 0.00 H new ATOM 0 HA TYR A 19 -7.949 -4.084 -5.777 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.067 -5.281 -7.818 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -7.674 -4.813 -8.335 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -8.291 -2.200 -7.610 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.332 -3.804 -8.034 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -7.566 -0.141 -8.822 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.752 -1.992 -9.638 1.00 0.00 H new ATOM 0 HH TYR A 19 -5.796 0.867 -9.940 1.00 0.00 H new ATOM 288 N CYS A 20 -7.852 -7.321 -6.435 1.00 0.00 N ATOM 289 CA CYS A 20 -8.606 -8.497 -6.824 1.00 0.00 C ATOM 290 C CYS A 20 -9.804 -8.736 -5.893 1.00 0.00 C ATOM 291 O CYS A 20 -9.697 -8.549 -4.677 1.00 0.00 O ATOM 292 CB CYS A 20 -7.731 -9.755 -6.835 1.00 0.00 C ATOM 293 SG CYS A 20 -6.082 -9.642 -7.562 1.00 0.00 S ATOM 0 H CYS A 20 -6.887 -7.514 -6.166 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.968 -8.304 -7.834 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.618 -10.091 -5.804 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.276 -10.535 -7.366 1.00 0.00 H new ATOM 298 N ASN A 21 -10.920 -9.220 -6.442 1.00 0.00 N ATOM 299 CA ASN A 21 -12.107 -9.585 -5.670 1.00 0.00 C ATOM 300 C ASN A 21 -12.117 -11.082 -5.259 1.00 0.00 C ATOM 301 O ASN A 21 -13.164 -11.738 -5.281 1.00 0.00 O ATOM 302 CB ASN A 21 -13.379 -9.056 -6.366 1.00 0.00 C ATOM 303 CG ASN A 21 -13.622 -9.597 -7.768 1.00 0.00 C ATOM 304 OD1 ASN A 21 -13.645 -8.862 -8.743 1.00 0.00 O ATOM 305 ND2 ASN A 21 -13.828 -10.883 -7.917 1.00 0.00 N ATOM 0 H ASN A 21 -11.025 -9.371 -7.445 1.00 0.00 H new ATOM 0 HA ASN A 21 -12.082 -9.082 -4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -14.241 -9.299 -5.745 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -13.320 -7.969 -6.418 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.007 -11.267 -8.845 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -13.810 -11.500 -7.105 1.00 0.00 H new ATOM 312 N SER A 22 -10.939 -11.624 -4.925 1.00 0.00 N ATOM 313 CA SER A 22 -10.676 -13.033 -4.574 1.00 0.00 C ATOM 314 C SER A 22 -11.528 -13.560 -3.409 1.00 0.00 C ATOM 315 O SER A 22 -11.630 -12.872 -2.367 1.00 0.00 O ATOM 316 CB SER A 22 -9.197 -13.197 -4.223 1.00 0.00 C ATOM 317 OG SER A 22 -8.392 -12.694 -5.281 1.00 0.00 O ATOM 318 OXT SER A 22 -12.068 -14.684 -3.527 1.00 0.00 O ATOM 0 H SER A 22 -10.090 -11.060 -4.889 1.00 0.00 H new ATOM 0 HA SER A 22 -10.950 -13.622 -5.449 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.972 -12.665 -3.298 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.970 -14.249 -4.049 1.00 0.00 H new ATOM 0 HG SER A 22 -7.445 -12.800 -5.051 1.00 0.00 H new TER 324 SER A 22 ATOM 325 N PHE B 1 7.764 -12.418 -11.438 1.00 0.00 N ATOM 326 CA PHE B 1 7.248 -11.031 -11.549 1.00 0.00 C ATOM 327 C PHE B 1 8.361 -10.003 -11.313 1.00 0.00 C ATOM 328 O PHE B 1 9.440 -10.351 -10.837 1.00 0.00 O ATOM 329 CB PHE B 1 6.035 -10.798 -10.617 1.00 0.00 C ATOM 330 CG PHE B 1 6.324 -10.904 -9.126 1.00 0.00 C ATOM 331 CD1 PHE B 1 6.832 -9.795 -8.421 1.00 0.00 C ATOM 332 CD2 PHE B 1 6.085 -12.113 -8.444 1.00 0.00 C ATOM 333 CE1 PHE B 1 7.105 -9.897 -7.046 1.00 0.00 C ATOM 334 CE2 PHE B 1 6.364 -12.212 -7.070 1.00 0.00 C ATOM 335 CZ PHE B 1 6.867 -11.103 -6.369 1.00 0.00 C ATOM 0 H1 PHE B 1 7.423 -12.981 -12.243 1.00 0.00 H new ATOM 0 H2 PHE B 1 8.804 -12.403 -11.442 1.00 0.00 H new ATOM 0 H3 PHE B 1 7.427 -12.844 -10.551 1.00 0.00 H new ATOM 0 HA PHE B 1 6.892 -10.891 -12.570 1.00 0.00 H new ATOM 0 HB2 PHE B 1 5.627 -9.808 -10.821 1.00 0.00 H new ATOM 0 HB3 PHE B 1 5.260 -11.521 -10.871 1.00 0.00 H new ATOM 0 HD1 PHE B 1 7.012 -8.864 -8.938 1.00 0.00 H new ATOM 0 HD2 PHE B 1 5.687 -12.964 -8.977 1.00 0.00 H new ATOM 0 HE1 PHE B 1 7.498 -9.046 -6.510 1.00 0.00 H new ATOM 0 HE2 PHE B 1 6.191 -13.143 -6.551 1.00 0.00 H new ATOM 0 HZ PHE B 1 7.070 -11.179 -5.311 1.00 0.00 H new ATOM 347 N VAL B 2 8.104 -8.732 -11.654 1.00 0.00 N ATOM 348 CA VAL B 2 9.065 -7.615 -11.585 1.00 0.00 C ATOM 349 C VAL B 2 8.431 -6.413 -10.874 1.00 0.00 C ATOM 350 O VAL B 2 7.319 -6.016 -11.228 1.00 0.00 O ATOM 351 CB VAL B 2 9.519 -7.224 -13.013 1.00 0.00 C ATOM 352 CG1 VAL B 2 10.549 -6.092 -12.989 1.00 0.00 C ATOM 353 CG2 VAL B 2 10.167 -8.399 -13.761 1.00 0.00 C ATOM 0 H VAL B 2 7.189 -8.440 -11.998 1.00 0.00 H new ATOM 0 HA VAL B 2 9.938 -7.931 -11.013 1.00 0.00 H new ATOM 0 HB VAL B 2 8.610 -6.909 -13.525 1.00 0.00 H new ATOM 0 HG11 VAL B 2 10.843 -5.846 -14.009 1.00 0.00 H new ATOM 0 HG12 VAL B 2 10.112 -5.213 -12.515 1.00 0.00 H new ATOM 0 HG13 VAL B 2 11.426 -6.410 -12.425 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.468 -8.075 -14.757 1.00 0.00 H new ATOM 0 HG22 VAL B 2 11.043 -8.742 -13.211 1.00 0.00 H new ATOM 0 HG23 VAL B 2 9.450 -9.215 -13.847 1.00 0.00 H new ATOM 363 N LYS B 3 9.136 -5.801 -9.910 1.00 0.00 N ATOM 364 CA LYS B 3 8.737 -4.507 -9.321 1.00 0.00 C ATOM 365 C LYS B 3 8.925 -3.401 -10.362 1.00 0.00 C ATOM 366 O LYS B 3 10.051 -3.156 -10.801 1.00 0.00 O ATOM 367 CB LYS B 3 9.526 -4.205 -8.038 1.00 0.00 C ATOM 368 CG LYS B 3 9.286 -5.257 -6.944 1.00 0.00 C ATOM 369 CD LYS B 3 10.118 -4.959 -5.692 1.00 0.00 C ATOM 370 CE LYS B 3 9.952 -6.117 -4.702 1.00 0.00 C ATOM 371 NZ LYS B 3 10.745 -5.905 -3.465 1.00 0.00 N ATOM 0 H LYS B 3 9.995 -6.184 -9.516 1.00 0.00 H new ATOM 0 HA LYS B 3 7.686 -4.557 -9.038 1.00 0.00 H new ATOM 0 HB2 LYS B 3 10.590 -4.162 -8.270 1.00 0.00 H new ATOM 0 HB3 LYS B 3 9.242 -3.222 -7.662 1.00 0.00 H new ATOM 0 HG2 LYS B 3 8.228 -5.279 -6.683 1.00 0.00 H new ATOM 0 HG3 LYS B 3 9.541 -6.246 -7.325 1.00 0.00 H new ATOM 0 HD2 LYS B 3 11.168 -4.837 -5.957 1.00 0.00 H new ATOM 0 HD3 LYS B 3 9.793 -4.024 -5.237 1.00 0.00 H new ATOM 0 HE2 LYS B 3 8.899 -6.226 -4.444 1.00 0.00 H new ATOM 0 HE3 LYS B 3 10.262 -7.048 -5.177 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 10.606 -6.710 -2.821 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 11.753 -5.826 -3.708 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 10.432 -5.030 -2.998 1.00 0.00 H new ATOM 385 N GLN B 4 7.831 -2.766 -10.778 1.00 0.00 N ATOM 386 CA GLN B 4 7.804 -1.869 -11.943 1.00 0.00 C ATOM 387 C GLN B 4 6.780 -0.730 -11.785 1.00 0.00 C ATOM 388 O GLN B 4 5.992 -0.732 -10.840 1.00 0.00 O ATOM 389 CB GLN B 4 7.530 -2.757 -13.176 1.00 0.00 C ATOM 390 CG GLN B 4 8.033 -2.186 -14.510 1.00 0.00 C ATOM 391 CD GLN B 4 8.162 -3.284 -15.569 1.00 0.00 C ATOM 392 OE1 GLN B 4 9.239 -3.583 -16.071 1.00 0.00 O ATOM 393 NE2 GLN B 4 7.085 -3.955 -15.933 1.00 0.00 N ATOM 0 H GLN B 4 6.927 -2.857 -10.315 1.00 0.00 H new ATOM 0 HA GLN B 4 8.758 -1.353 -12.054 1.00 0.00 H new ATOM 0 HB2 GLN B 4 7.995 -3.730 -13.016 1.00 0.00 H new ATOM 0 HB3 GLN B 4 6.456 -2.926 -13.252 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.345 -1.417 -14.862 1.00 0.00 H new ATOM 0 HG3 GLN B 4 9.000 -1.705 -14.361 1.00 0.00 H new ATOM 0 HE21 GLN B 4 6.178 -3.723 -15.528 1.00 0.00 H new ATOM 0 HE22 GLN B 4 7.160 -4.706 -16.619 1.00 0.00 H new ATOM 402 N HIS B 5 6.797 0.245 -12.698 1.00 0.00 N ATOM 403 CA HIS B 5 6.014 1.491 -12.663 1.00 0.00 C ATOM 404 C HIS B 5 4.974 1.574 -13.795 1.00 0.00 C ATOM 405 O HIS B 5 5.321 1.654 -14.974 1.00 0.00 O ATOM 406 CB HIS B 5 6.949 2.702 -12.709 1.00 0.00 C ATOM 407 CG HIS B 5 8.234 2.557 -13.506 1.00 0.00 C ATOM 408 ND1 HIS B 5 8.404 2.023 -14.760 1.00 0.00 N flip ATOM 409 CD2 HIS B 5 9.488 2.910 -13.058 1.00 0.00 C flip ATOM 410 CE1 HIS B 5 9.771 2.056 -15.072 1.00 0.00 C flip ATOM 411 NE2 HIS B 5 10.388 2.606 -14.011 1.00 0.00 N flip ATOM 0 H HIS B 5 7.388 0.187 -13.527 1.00 0.00 H new ATOM 0 HA HIS B 5 5.459 1.493 -11.725 1.00 0.00 H new ATOM 0 HB2 HIS B 5 6.391 3.544 -13.118 1.00 0.00 H new ATOM 0 HB3 HIS B 5 7.214 2.963 -11.685 1.00 0.00 H new ATOM 0 HD1 HIS B 5 7.663 1.664 -15.362 1.00 0.00 H new ATOM 0 HD2 HIS B 5 9.712 3.357 -12.101 1.00 0.00 H new ATOM 0 HE1 HIS B 5 10.236 1.709 -15.983 1.00 0.00 H new ATOM 419 N LEU B 6 3.691 1.570 -13.437 1.00 0.00 N ATOM 420 CA LEU B 6 2.584 1.363 -14.365 1.00 0.00 C ATOM 421 C LEU B 6 1.383 2.281 -14.145 1.00 0.00 C ATOM 422 O LEU B 6 0.895 2.454 -13.031 1.00 0.00 O ATOM 423 CB LEU B 6 2.072 -0.071 -14.224 1.00 0.00 C ATOM 424 CG LEU B 6 3.054 -1.236 -14.194 1.00 0.00 C ATOM 425 CD1 LEU B 6 4.230 -1.235 -15.170 1.00 0.00 C ATOM 426 CD2 LEU B 6 3.491 -1.594 -12.777 1.00 0.00 C ATOM 0 H LEU B 6 3.387 1.714 -12.474 1.00 0.00 H new ATOM 0 HA LEU B 6 2.994 1.583 -15.351 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.488 -0.117 -13.305 1.00 0.00 H new ATOM 0 HB3 LEU B 6 1.383 -0.251 -15.049 1.00 0.00 H new ATOM 0 HG LEU B 6 2.434 -2.035 -14.601 1.00 0.00 H new ATOM 0 HD11 LEU B 6 4.830 -2.132 -15.018 1.00 0.00 H new ATOM 0 HD12 LEU B 6 3.854 -1.220 -16.193 1.00 0.00 H new ATOM 0 HD13 LEU B 6 4.846 -0.353 -14.997 1.00 0.00 H new ATOM 0 HD21 LEU B 6 4.190 -2.430 -12.812 1.00 0.00 H new ATOM 0 HD22 LEU B 6 3.977 -0.733 -12.318 1.00 0.00 H new ATOM 0 HD23 LEU B 6 2.619 -1.875 -12.187 1.00 0.00 H new ATOM 438 N CYS B 7 0.826 2.771 -15.243 1.00 0.00 N ATOM 439 CA CYS B 7 -0.300 3.694 -15.282 1.00 0.00 C ATOM 440 C CYS B 7 -1.413 3.087 -16.154 1.00 0.00 C ATOM 441 O CYS B 7 -1.143 2.648 -17.275 1.00 0.00 O ATOM 442 CB CYS B 7 0.214 5.014 -15.872 1.00 0.00 C ATOM 443 SG CYS B 7 1.694 5.726 -15.102 1.00 0.00 S ATOM 0 H CYS B 7 1.162 2.525 -16.174 1.00 0.00 H new ATOM 0 HA CYS B 7 -0.713 3.874 -14.290 1.00 0.00 H new ATOM 0 HB2 CYS B 7 0.423 4.856 -16.930 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -0.588 5.749 -15.812 1.00 0.00 H new ATOM 448 N GLY B 8 -2.652 3.034 -15.656 1.00 0.00 N ATOM 449 CA GLY B 8 -3.822 2.596 -16.430 1.00 0.00 C ATOM 450 C GLY B 8 -3.690 1.167 -16.972 1.00 0.00 C ATOM 451 O GLY B 8 -3.674 0.204 -16.205 1.00 0.00 O ATOM 0 H GLY B 8 -2.875 3.296 -14.696 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -4.710 2.658 -15.800 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -3.975 3.281 -17.264 1.00 0.00 H new ATOM 455 N SER B 9 -3.567 1.014 -18.293 1.00 0.00 N ATOM 456 CA SER B 9 -3.499 -0.284 -18.983 1.00 0.00 C ATOM 457 C SER B 9 -2.313 -1.155 -18.559 1.00 0.00 C ATOM 458 O SER B 9 -2.486 -2.361 -18.417 1.00 0.00 O ATOM 459 CB SER B 9 -3.395 -0.054 -20.496 1.00 0.00 C ATOM 460 OG SER B 9 -4.456 0.769 -20.960 1.00 0.00 O ATOM 0 H SER B 9 -3.510 1.807 -18.932 1.00 0.00 H new ATOM 0 HA SER B 9 -4.411 -0.814 -18.708 1.00 0.00 H new ATOM 0 HB2 SER B 9 -2.438 0.412 -20.732 1.00 0.00 H new ATOM 0 HB3 SER B 9 -3.419 -1.012 -21.016 1.00 0.00 H new ATOM 0 HG SER B 9 -4.367 0.903 -21.927 1.00 0.00 H new ATOM 466 N HIS B 10 -1.135 -0.574 -18.291 1.00 0.00 N ATOM 467 CA HIS B 10 -0.007 -1.340 -17.735 1.00 0.00 C ATOM 468 C HIS B 10 -0.222 -1.702 -16.267 1.00 0.00 C ATOM 469 O HIS B 10 0.309 -2.697 -15.780 1.00 0.00 O ATOM 470 CB HIS B 10 1.305 -0.571 -17.882 1.00 0.00 C ATOM 471 CG HIS B 10 1.703 -0.440 -19.326 1.00 0.00 C ATOM 472 ND1 HIS B 10 2.111 -1.448 -20.171 1.00 0.00 N ATOM 473 CD2 HIS B 10 1.601 0.698 -20.070 1.00 0.00 C ATOM 474 CE1 HIS B 10 2.275 -0.919 -21.396 1.00 0.00 C ATOM 475 NE2 HIS B 10 1.976 0.395 -21.387 1.00 0.00 N ATOM 0 H HIS B 10 -0.938 0.414 -18.448 1.00 0.00 H new ATOM 0 HA HIS B 10 0.050 -2.265 -18.308 1.00 0.00 H new ATOM 0 HB2 HIS B 10 1.200 0.420 -17.440 1.00 0.00 H new ATOM 0 HB3 HIS B 10 2.093 -1.084 -17.330 1.00 0.00 H new ATOM 0 HD1 HIS B 10 2.262 -2.423 -19.913 1.00 0.00 H new ATOM 0 HD2 HIS B 10 1.286 1.665 -19.708 1.00 0.00 H new ATOM 0 HE1 HIS B 10 2.601 -1.470 -22.266 1.00 0.00 H new ATOM 483 N LEU B 11 -0.996 -0.895 -15.541 1.00 0.00 N ATOM 484 CA LEU B 11 -1.315 -1.166 -14.147 1.00 0.00 C ATOM 485 C LEU B 11 -2.252 -2.380 -14.105 1.00 0.00 C ATOM 486 O LEU B 11 -1.977 -3.334 -13.383 1.00 0.00 O ATOM 487 CB LEU B 11 -1.878 0.113 -13.508 1.00 0.00 C ATOM 488 CG LEU B 11 -1.478 0.322 -12.038 1.00 0.00 C ATOM 489 CD1 LEU B 11 -2.340 1.429 -11.465 1.00 0.00 C ATOM 490 CD2 LEU B 11 -1.679 -0.921 -11.189 1.00 0.00 C ATOM 0 H LEU B 11 -1.416 -0.040 -15.905 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.440 -1.428 -13.553 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -1.542 0.972 -14.088 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.966 0.089 -13.575 1.00 0.00 H new ATOM 0 HG LEU B 11 -0.417 0.569 -12.017 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -2.073 1.595 -10.421 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.178 2.346 -12.031 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -3.390 1.143 -11.530 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -1.380 -0.712 -10.162 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.730 -1.209 -11.209 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.072 -1.735 -11.586 1.00 0.00 H new ATOM 502 N VAL B 12 -3.256 -2.422 -14.991 1.00 0.00 N ATOM 503 CA VAL B 12 -4.062 -3.626 -15.243 1.00 0.00 C ATOM 504 C VAL B 12 -3.176 -4.758 -15.770 1.00 0.00 C ATOM 505 O VAL B 12 -3.409 -5.893 -15.408 1.00 0.00 O ATOM 506 CB VAL B 12 -5.212 -3.355 -16.240 1.00 0.00 C ATOM 507 CG1 VAL B 12 -5.954 -4.624 -16.673 1.00 0.00 C ATOM 508 CG2 VAL B 12 -6.232 -2.410 -15.601 1.00 0.00 C ATOM 0 H VAL B 12 -3.534 -1.619 -15.556 1.00 0.00 H new ATOM 0 HA VAL B 12 -4.507 -3.922 -14.293 1.00 0.00 H new ATOM 0 HB VAL B 12 -4.750 -2.917 -17.125 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -6.748 -4.361 -17.372 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -5.256 -5.307 -17.157 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -6.387 -5.109 -15.798 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -7.042 -2.220 -16.305 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -6.636 -2.867 -14.698 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -5.745 -1.469 -15.345 1.00 0.00 H new ATOM 518 N GLU B 13 -2.115 -4.513 -16.543 1.00 0.00 N ATOM 519 CA GLU B 13 -1.223 -5.580 -17.035 1.00 0.00 C ATOM 520 C GLU B 13 -0.488 -6.285 -15.876 1.00 0.00 C ATOM 521 O GLU B 13 -0.133 -7.460 -15.994 1.00 0.00 O ATOM 522 CB GLU B 13 -0.248 -4.994 -18.067 1.00 0.00 C ATOM 523 CG GLU B 13 0.554 -6.020 -18.874 1.00 0.00 C ATOM 524 CD GLU B 13 1.364 -5.338 -19.998 1.00 0.00 C ATOM 525 OE1 GLU B 13 1.406 -5.885 -21.126 1.00 0.00 O ATOM 526 OE2 GLU B 13 1.975 -4.262 -19.767 1.00 0.00 O ATOM 0 H GLU B 13 -1.846 -3.577 -16.847 1.00 0.00 H new ATOM 0 HA GLU B 13 -1.823 -6.347 -17.524 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -0.812 -4.372 -18.762 1.00 0.00 H new ATOM 0 HB3 GLU B 13 0.452 -4.338 -17.549 1.00 0.00 H new ATOM 0 HG2 GLU B 13 1.230 -6.559 -18.211 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -0.124 -6.756 -19.306 1.00 0.00 H new ATOM 533 N ALA B 14 -0.326 -5.610 -14.728 1.00 0.00 N ATOM 534 CA ALA B 14 0.111 -6.238 -13.490 1.00 0.00 C ATOM 535 C ALA B 14 -1.092 -6.851 -12.771 1.00 0.00 C ATOM 536 O ALA B 14 -1.101 -8.042 -12.500 1.00 0.00 O ATOM 537 CB ALA B 14 0.848 -5.200 -12.647 1.00 0.00 C ATOM 0 H ALA B 14 -0.498 -4.608 -14.641 1.00 0.00 H new ATOM 0 HA ALA B 14 0.805 -7.055 -13.687 1.00 0.00 H new ATOM 0 HB1 ALA B 14 1.181 -5.658 -11.716 1.00 0.00 H new ATOM 0 HB2 ALA B 14 1.712 -4.830 -13.199 1.00 0.00 H new ATOM 0 HB3 ALA B 14 0.178 -4.370 -12.424 1.00 0.00 H new ATOM 543 N LEU B 15 -2.152 -6.083 -12.534 1.00 0.00 N ATOM 544 CA LEU B 15 -3.380 -6.496 -11.857 1.00 0.00 C ATOM 545 C LEU B 15 -3.939 -7.835 -12.389 1.00 0.00 C ATOM 546 O LEU B 15 -4.172 -8.785 -11.651 1.00 0.00 O ATOM 547 CB LEU B 15 -4.383 -5.357 -12.110 1.00 0.00 C ATOM 548 CG LEU B 15 -5.354 -5.115 -10.979 1.00 0.00 C ATOM 549 CD1 LEU B 15 -6.340 -4.027 -11.399 1.00 0.00 C ATOM 550 CD2 LEU B 15 -6.055 -6.384 -10.579 1.00 0.00 C ATOM 0 H LEU B 15 -2.180 -5.105 -12.823 1.00 0.00 H new ATOM 0 HA LEU B 15 -3.191 -6.667 -10.797 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -3.829 -4.438 -12.300 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -4.948 -5.581 -13.015 1.00 0.00 H new ATOM 0 HG LEU B 15 -4.809 -4.776 -10.098 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -7.046 -3.844 -10.589 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -5.796 -3.109 -11.621 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -6.882 -4.351 -12.287 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -6.747 -6.176 -9.763 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -6.608 -6.779 -11.432 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -5.319 -7.119 -10.252 1.00 0.00 H new ATOM 562 N TYR B 16 -4.064 -7.918 -13.706 1.00 0.00 N ATOM 563 CA TYR B 16 -4.572 -9.053 -14.477 1.00 0.00 C ATOM 564 C TYR B 16 -3.698 -10.299 -14.271 1.00 0.00 C ATOM 565 O TYR B 16 -4.211 -11.413 -14.218 1.00 0.00 O ATOM 566 CB TYR B 16 -4.615 -8.592 -15.953 1.00 0.00 C ATOM 567 CG TYR B 16 -5.458 -9.388 -16.933 1.00 0.00 C ATOM 568 CD1 TYR B 16 -6.454 -8.718 -17.672 1.00 0.00 C ATOM 569 CD2 TYR B 16 -5.226 -10.758 -17.160 1.00 0.00 C ATOM 570 CE1 TYR B 16 -7.258 -9.436 -18.585 1.00 0.00 C ATOM 571 CE2 TYR B 16 -6.032 -11.482 -18.055 1.00 0.00 C ATOM 572 CZ TYR B 16 -7.056 -10.823 -18.768 1.00 0.00 C ATOM 573 OH TYR B 16 -7.826 -11.527 -19.644 1.00 0.00 O ATOM 0 H TYR B 16 -3.795 -7.141 -14.310 1.00 0.00 H new ATOM 0 HA TYR B 16 -5.569 -9.347 -14.148 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.971 -7.562 -15.969 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -3.591 -8.581 -16.328 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.602 -7.656 -17.540 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -4.421 -11.257 -16.641 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.028 -8.925 -19.144 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -5.868 -12.540 -18.197 1.00 0.00 H new ATOM 0 HH TYR B 16 -7.547 -12.467 -19.642 1.00 0.00 H new ATOM 583 N LEU B 17 -2.393 -10.121 -14.072 1.00 0.00 N ATOM 584 CA LEU B 17 -1.426 -11.190 -13.828 1.00 0.00 C ATOM 585 C LEU B 17 -1.451 -11.628 -12.361 1.00 0.00 C ATOM 586 O LEU B 17 -1.416 -12.811 -12.035 1.00 0.00 O ATOM 587 CB LEU B 17 -0.044 -10.616 -14.176 1.00 0.00 C ATOM 588 CG LEU B 17 1.122 -11.583 -13.938 1.00 0.00 C ATOM 589 CD1 LEU B 17 1.014 -12.868 -14.760 1.00 0.00 C ATOM 590 CD2 LEU B 17 2.440 -10.888 -14.281 1.00 0.00 C ATOM 0 H LEU B 17 -1.965 -9.195 -14.076 1.00 0.00 H new ATOM 0 HA LEU B 17 -1.663 -12.066 -14.432 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -0.042 -10.315 -15.224 1.00 0.00 H new ATOM 0 HB3 LEU B 17 0.121 -9.715 -13.585 1.00 0.00 H new ATOM 0 HG LEU B 17 1.086 -11.864 -12.885 1.00 0.00 H new ATOM 0 HD11 LEU B 17 1.869 -13.510 -14.546 1.00 0.00 H new ATOM 0 HD12 LEU B 17 0.094 -13.391 -14.499 1.00 0.00 H new ATOM 0 HD13 LEU B 17 1.002 -12.621 -15.822 1.00 0.00 H new ATOM 0 HD21 LEU B 17 3.269 -11.576 -14.112 1.00 0.00 H new ATOM 0 HD22 LEU B 17 2.429 -10.583 -15.328 1.00 0.00 H new ATOM 0 HD23 LEU B 17 2.563 -10.009 -13.649 1.00 0.00 H new ATOM 602 N VAL B 18 -1.532 -10.629 -11.485 1.00 0.00 N ATOM 603 CA VAL B 18 -1.546 -10.725 -10.030 1.00 0.00 C ATOM 604 C VAL B 18 -2.806 -11.455 -9.561 1.00 0.00 C ATOM 605 O VAL B 18 -2.746 -12.312 -8.677 1.00 0.00 O ATOM 606 CB VAL B 18 -1.479 -9.292 -9.464 1.00 0.00 C ATOM 607 CG1 VAL B 18 -1.704 -9.329 -7.961 1.00 0.00 C ATOM 608 CG2 VAL B 18 -0.134 -8.619 -9.800 1.00 0.00 C ATOM 0 H VAL B 18 -1.594 -9.660 -11.799 1.00 0.00 H new ATOM 0 HA VAL B 18 -0.692 -11.299 -9.671 1.00 0.00 H new ATOM 0 HB VAL B 18 -2.264 -8.696 -9.929 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -1.657 -8.316 -7.561 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -2.684 -9.757 -7.750 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -0.933 -9.941 -7.493 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -0.119 -7.610 -9.387 1.00 0.00 H new ATOM 0 HG22 VAL B 18 0.681 -9.200 -9.369 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -0.012 -8.570 -10.882 1.00 0.00 H new ATOM 618 N CYS B 19 -3.942 -11.184 -10.200 1.00 0.00 N ATOM 619 CA CYS B 19 -5.187 -11.898 -9.944 1.00 0.00 C ATOM 620 C CYS B 19 -5.222 -13.206 -10.743 1.00 0.00 C ATOM 621 O CYS B 19 -5.850 -14.174 -10.306 1.00 0.00 O ATOM 622 CB CYS B 19 -6.361 -11.000 -10.340 1.00 0.00 C ATOM 623 SG CYS B 19 -6.465 -9.389 -9.530 1.00 0.00 S ATOM 0 H CYS B 19 -4.023 -10.459 -10.913 1.00 0.00 H new ATOM 0 HA CYS B 19 -5.258 -12.146 -8.885 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -6.315 -10.836 -11.417 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -7.285 -11.541 -10.139 1.00 0.00 H new ATOM 628 N GLY B 20 -4.562 -13.211 -11.908 1.00 0.00 N ATOM 629 CA GLY B 20 -4.500 -14.272 -12.922 1.00 0.00 C ATOM 630 C GLY B 20 -5.822 -14.494 -13.660 1.00 0.00 C ATOM 631 O GLY B 20 -5.911 -14.407 -14.887 1.00 0.00 O ATOM 0 H GLY B 20 -4.009 -12.402 -12.190 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -3.726 -14.024 -13.648 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -4.201 -15.204 -12.442 1.00 0.00 H new ATOM 635 N GLU B 21 -6.848 -14.784 -12.868 1.00 0.00 N ATOM 636 CA GLU B 21 -8.224 -15.139 -13.272 1.00 0.00 C ATOM 637 C GLU B 21 -9.291 -14.776 -12.214 1.00 0.00 C ATOM 638 O GLU B 21 -10.488 -14.816 -12.507 1.00 0.00 O ATOM 639 CB GLU B 21 -8.325 -16.657 -13.543 1.00 0.00 C ATOM 640 CG GLU B 21 -7.514 -17.147 -14.752 1.00 0.00 C ATOM 641 CD GLU B 21 -7.850 -18.614 -15.087 1.00 0.00 C ATOM 642 OE1 GLU B 21 -7.235 -19.539 -14.496 1.00 0.00 O ATOM 643 OE2 GLU B 21 -8.731 -18.859 -15.946 1.00 0.00 O ATOM 0 H GLU B 21 -6.744 -14.780 -11.853 1.00 0.00 H new ATOM 0 HA GLU B 21 -8.426 -14.556 -14.171 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -7.990 -17.194 -12.656 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -9.373 -16.916 -13.696 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -7.725 -16.516 -15.615 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -6.449 -17.053 -14.541 1.00 0.00 H new ATOM 650 N ARG B 22 -8.892 -14.425 -10.978 1.00 0.00 N ATOM 651 CA ARG B 22 -9.790 -14.266 -9.810 1.00 0.00 C ATOM 652 C ARG B 22 -10.726 -13.046 -9.871 1.00 0.00 C ATOM 653 O ARG B 22 -11.711 -12.992 -9.135 1.00 0.00 O ATOM 654 CB ARG B 22 -8.933 -14.267 -8.529 1.00 0.00 C ATOM 655 CG ARG B 22 -8.297 -15.651 -8.282 1.00 0.00 C ATOM 656 CD ARG B 22 -7.355 -15.644 -7.075 1.00 0.00 C ATOM 657 NE ARG B 22 -6.100 -14.918 -7.359 1.00 0.00 N ATOM 658 CZ ARG B 22 -5.239 -14.490 -6.456 1.00 0.00 C ATOM 659 NH1 ARG B 22 -5.395 -14.661 -5.177 1.00 0.00 N ATOM 660 NH2 ARG B 22 -4.153 -13.862 -6.779 1.00 0.00 N ATOM 0 H ARG B 22 -7.914 -14.239 -10.754 1.00 0.00 H new ATOM 0 HA ARG B 22 -10.475 -15.114 -9.814 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -8.149 -13.514 -8.612 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -9.551 -13.991 -7.675 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -9.084 -16.388 -8.123 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -7.746 -15.960 -9.170 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -7.857 -15.182 -6.225 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -7.124 -16.670 -6.789 1.00 0.00 H new ATOM 0 HE ARG B 22 -5.880 -14.732 -8.338 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -6.218 -15.149 -4.824 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -4.694 -14.307 -4.526 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -3.940 -13.683 -7.760 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -3.511 -13.546 -6.052 1.00 0.00 H new ATOM 674 N GLY B 23 -10.456 -12.101 -10.771 1.00 0.00 N ATOM 675 CA GLY B 23 -11.263 -10.906 -11.023 1.00 0.00 C ATOM 676 C GLY B 23 -10.893 -9.726 -10.125 1.00 0.00 C ATOM 677 O GLY B 23 -10.263 -9.895 -9.082 1.00 0.00 O ATOM 0 H GLY B 23 -9.633 -12.149 -11.371 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -11.146 -10.611 -12.066 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -12.315 -11.149 -10.876 1.00 0.00 H new ATOM 681 N PHE B 24 -11.220 -8.525 -10.590 1.00 0.00 N ATOM 682 CA PHE B 24 -10.815 -7.214 -10.063 1.00 0.00 C ATOM 683 C PHE B 24 -11.625 -6.055 -10.673 1.00 0.00 C ATOM 684 O PHE B 24 -12.367 -6.231 -11.644 1.00 0.00 O ATOM 685 CB PHE B 24 -9.338 -6.995 -10.426 1.00 0.00 C ATOM 686 CG PHE B 24 -8.978 -7.100 -11.902 1.00 0.00 C ATOM 687 CD1 PHE B 24 -8.839 -5.941 -12.690 1.00 0.00 C ATOM 688 CD2 PHE B 24 -8.681 -8.358 -12.464 1.00 0.00 C ATOM 689 CE1 PHE B 24 -8.378 -6.038 -14.020 1.00 0.00 C ATOM 690 CE2 PHE B 24 -8.290 -8.462 -13.808 1.00 0.00 C ATOM 691 CZ PHE B 24 -8.131 -7.301 -14.581 1.00 0.00 C ATOM 0 H PHE B 24 -11.821 -8.429 -11.408 1.00 0.00 H new ATOM 0 HA PHE B 24 -10.988 -7.217 -8.987 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -9.043 -6.007 -10.072 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -8.740 -7.722 -9.877 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -9.086 -4.975 -12.275 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -8.755 -9.248 -11.856 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -8.216 -5.144 -14.604 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -8.112 -9.433 -14.246 1.00 0.00 H new ATOM 0 HZ PHE B 24 -7.817 -7.380 -15.611 1.00 0.00 H new ATOM 701 N PHE B 25 -11.419 -4.844 -10.140 1.00 0.00 N ATOM 702 CA PHE B 25 -11.876 -3.579 -10.724 1.00 0.00 C ATOM 703 C PHE B 25 -10.808 -2.500 -10.482 1.00 0.00 C ATOM 704 O PHE B 25 -10.431 -2.224 -9.342 1.00 0.00 O ATOM 705 CB PHE B 25 -13.240 -3.205 -10.135 1.00 0.00 C ATOM 706 CG PHE B 25 -13.816 -1.907 -10.674 1.00 0.00 C ATOM 707 CD1 PHE B 25 -13.910 -1.692 -12.064 1.00 0.00 C ATOM 708 CD2 PHE B 25 -14.275 -0.917 -9.786 1.00 0.00 C ATOM 709 CE1 PHE B 25 -14.436 -0.484 -12.560 1.00 0.00 C ATOM 710 CE2 PHE B 25 -14.826 0.277 -10.279 1.00 0.00 C ATOM 711 CZ PHE B 25 -14.897 0.499 -11.666 1.00 0.00 C ATOM 0 H PHE B 25 -10.914 -4.715 -9.263 1.00 0.00 H new ATOM 0 HA PHE B 25 -12.009 -3.674 -11.802 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -13.944 -4.013 -10.336 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -13.146 -3.126 -9.052 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -13.577 -2.456 -12.751 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -14.203 -1.076 -8.720 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -14.485 -0.312 -13.625 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -15.195 1.025 -9.593 1.00 0.00 H new ATOM 0 HZ PHE B 25 -15.306 1.424 -12.045 1.00 0.00 H new ATOM 721 N TYR B 26 -10.294 -1.909 -11.564 1.00 0.00 N ATOM 722 CA TYR B 26 -9.116 -1.025 -11.589 1.00 0.00 C ATOM 723 C TYR B 26 -9.435 0.448 -11.251 1.00 0.00 C ATOM 724 O TYR B 26 -8.966 1.383 -11.901 1.00 0.00 O ATOM 725 CB TYR B 26 -8.363 -1.228 -12.916 1.00 0.00 C ATOM 726 CG TYR B 26 -9.242 -1.188 -14.155 1.00 0.00 C ATOM 727 CD1 TYR B 26 -9.499 0.029 -14.815 1.00 0.00 C ATOM 728 CD2 TYR B 26 -9.830 -2.381 -14.621 1.00 0.00 C ATOM 729 CE1 TYR B 26 -10.366 0.053 -15.927 1.00 0.00 C ATOM 730 CE2 TYR B 26 -10.707 -2.358 -15.722 1.00 0.00 C ATOM 731 CZ TYR B 26 -10.979 -1.136 -16.380 1.00 0.00 C ATOM 732 OH TYR B 26 -11.824 -1.098 -17.447 1.00 0.00 O ATOM 0 H TYR B 26 -10.703 -2.037 -12.490 1.00 0.00 H new ATOM 0 HA TYR B 26 -8.447 -1.312 -10.778 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -7.597 -0.458 -13.005 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -7.848 -2.188 -12.883 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -9.034 0.941 -14.471 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -9.607 -3.317 -14.131 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -10.562 0.986 -16.435 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -11.171 -3.271 -16.063 1.00 0.00 H new ATOM 0 HH TYR B 26 -12.160 -2.000 -17.631 1.00 0.00 H new ATOM 742 N THR B 27 -10.264 0.668 -10.229 1.00 0.00 N ATOM 743 CA THR B 27 -10.717 2.011 -9.821 1.00 0.00 C ATOM 744 C THR B 27 -9.579 2.883 -9.254 1.00 0.00 C ATOM 745 O THR B 27 -8.768 2.392 -8.460 1.00 0.00 O ATOM 746 CB THR B 27 -11.884 1.937 -8.824 1.00 0.00 C ATOM 747 OG1 THR B 27 -12.319 3.241 -8.502 1.00 0.00 O ATOM 748 CG2 THR B 27 -11.564 1.223 -7.510 1.00 0.00 C ATOM 0 H THR B 27 -10.646 -0.082 -9.653 1.00 0.00 H new ATOM 0 HA THR B 27 -11.069 2.495 -10.732 1.00 0.00 H new ATOM 0 HB THR B 27 -12.650 1.352 -9.332 1.00 0.00 H new ATOM 0 HG1 THR B 27 -13.230 3.203 -8.142 1.00 0.00 H new ATOM 0 HG21 THR B 27 -12.448 1.221 -6.872 1.00 0.00 H new ATOM 0 HG22 THR B 27 -11.264 0.196 -7.718 1.00 0.00 H new ATOM 0 HG23 THR B 27 -10.751 1.742 -7.002 1.00 0.00 H new ATOM 756 N PRO B 28 -9.516 4.185 -9.608 1.00 0.00 N ATOM 757 CA PRO B 28 -8.571 5.130 -9.009 1.00 0.00 C ATOM 758 C PRO B 28 -9.028 5.681 -7.646 1.00 0.00 C ATOM 759 O PRO B 28 -8.197 6.224 -6.914 1.00 0.00 O ATOM 760 CB PRO B 28 -8.436 6.247 -10.049 1.00 0.00 C ATOM 761 CG PRO B 28 -9.821 6.297 -10.692 1.00 0.00 C ATOM 762 CD PRO B 28 -10.253 4.828 -10.692 1.00 0.00 C ATOM 0 HA PRO B 28 -7.624 4.640 -8.784 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -8.173 7.198 -9.586 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -7.660 6.023 -10.781 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -10.509 6.920 -10.121 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -9.783 6.707 -11.701 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -11.328 4.739 -10.538 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -10.028 4.356 -11.649 1.00 0.00 H new ATOM 770 N LYS B 29 -10.323 5.573 -7.293 1.00 0.00 N ATOM 771 CA LYS B 29 -10.914 6.246 -6.111 1.00 0.00 C ATOM 772 C LYS B 29 -12.021 5.486 -5.359 1.00 0.00 C ATOM 773 O LYS B 29 -12.511 5.993 -4.350 1.00 0.00 O ATOM 774 CB LYS B 29 -11.372 7.663 -6.517 1.00 0.00 C ATOM 775 CG LYS B 29 -12.569 7.682 -7.482 1.00 0.00 C ATOM 776 CD LYS B 29 -12.887 9.125 -7.904 1.00 0.00 C ATOM 777 CE LYS B 29 -14.090 9.163 -8.853 1.00 0.00 C ATOM 778 NZ LYS B 29 -14.396 10.549 -9.302 1.00 0.00 N ATOM 0 H LYS B 29 -10.995 5.015 -7.819 1.00 0.00 H new ATOM 0 HA LYS B 29 -10.114 6.284 -5.371 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -11.635 8.220 -5.618 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -10.535 8.185 -6.982 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -12.346 7.079 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -13.440 7.235 -7.002 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -13.096 9.729 -7.021 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -12.018 9.565 -8.393 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -13.888 8.536 -9.721 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -14.962 8.742 -8.352 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -15.215 10.534 -9.942 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -14.613 11.142 -8.475 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -13.573 10.941 -9.802 1.00 0.00 H new ATOM 792 N THR B 30 -12.418 4.298 -5.823 1.00 0.00 N ATOM 793 CA THR B 30 -13.489 3.464 -5.238 1.00 0.00 C ATOM 794 C THR B 30 -14.833 4.210 -5.150 1.00 0.00 C ATOM 795 O THR B 30 -15.438 4.335 -4.080 1.00 0.00 O ATOM 796 CB THR B 30 -13.051 2.808 -3.911 1.00 0.00 C ATOM 797 OG1 THR B 30 -11.712 2.348 -3.996 1.00 0.00 O ATOM 798 CG2 THR B 30 -13.888 1.572 -3.569 1.00 0.00 C ATOM 0 H THR B 30 -11.992 3.869 -6.645 1.00 0.00 H new ATOM 0 HA THR B 30 -13.668 2.639 -5.927 1.00 0.00 H new ATOM 0 HB THR B 30 -13.175 3.579 -3.151 1.00 0.00 H new ATOM 0 HG1 THR B 30 -11.453 1.937 -3.145 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.541 1.147 -2.627 1.00 0.00 H new ATOM 0 HG22 THR B 30 -14.936 1.857 -3.474 1.00 0.00 H new ATOM 0 HG23 THR B 30 -13.784 0.831 -4.362 1.00 0.00 H new ATOM 806 N ARG B 31 -15.276 4.752 -6.296 1.00 0.00 N ATOM 807 CA ARG B 31 -16.535 5.511 -6.446 1.00 0.00 C ATOM 808 C ARG B 31 -17.793 4.670 -6.159 1.00 0.00 C ATOM 809 O ARG B 31 -17.837 3.493 -6.586 1.00 0.00 O ATOM 810 CB ARG B 31 -16.587 6.227 -7.815 1.00 0.00 C ATOM 811 CG ARG B 31 -17.146 5.428 -9.009 1.00 0.00 C ATOM 812 CD ARG B 31 -16.328 4.179 -9.378 1.00 0.00 C ATOM 813 NE ARG B 31 -17.022 3.368 -10.392 1.00 0.00 N ATOM 814 CZ ARG B 31 -17.927 2.433 -10.167 1.00 0.00 C ATOM 815 NH1 ARG B 31 -18.353 2.135 -8.975 1.00 0.00 N ATOM 816 NH2 ARG B 31 -18.441 1.768 -11.161 1.00 0.00 N ATOM 817 OXT ARG B 31 -18.733 5.204 -5.528 1.00 0.00 O ATOM 0 H ARG B 31 -14.756 4.674 -7.170 1.00 0.00 H new ATOM 0 HA ARG B 31 -16.537 6.281 -5.674 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -17.188 7.129 -7.701 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -15.576 6.547 -8.067 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -18.167 5.124 -8.780 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -17.196 6.084 -9.878 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -15.351 4.480 -9.756 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -16.154 3.578 -8.485 1.00 0.00 H new ATOM 0 HE ARG B 31 -16.779 3.546 -11.367 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -17.986 2.632 -8.163 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -19.054 1.404 -8.852 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -18.145 1.969 -12.116 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -19.140 1.046 -10.985 1.00 0.00 H new TER 831 ARG B 31