USER MOD reduce.3.24.130724 H: found=0, std=0, add=570, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 567 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 12 GLN : amide:sc= 0 K(o=0,f=-1.8) USER MOD Single : A 14 MET CE :methyl 131:sc= -0.0665 (180deg=-0.43) USER MOD Single : A 15 CYS SG : rot 75:sc= -1.7 USER MOD Single : A 16 MET CE :methyl -164:sc= -0.106 (180deg=-0.599) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= -1.24 USER MOD Single : A 44 SER OG : rot 35:sc= 0.594 USER MOD Single : A 47 ASN : amide:sc=-0.00139 K(o=-0.0014,f=-1) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 172:sc= 0 (180deg=-0.0844) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0777 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl -179:sc= -1.23 (180deg=-1.27) USER MOD Single : A 70 MET CE :methyl 168:sc=-0.00515 (180deg=-0.197) USER MOD Single : A 73 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 8 1.680 0.711 -1.399 1.00 0.00 N ATOM 2 CA ILE A 8 3.098 1.046 -1.470 1.00 0.00 C ATOM 3 C ILE A 8 3.352 2.470 -0.992 1.00 0.00 C ATOM 4 O ILE A 8 4.224 2.708 -0.157 1.00 0.00 O ATOM 5 CB ILE A 8 3.630 0.882 -2.905 1.00 0.00 C ATOM 6 CG1 ILE A 8 3.422 -0.555 -3.391 1.00 0.00 C ATOM 7 CG2 ILE A 8 5.100 1.264 -2.974 1.00 0.00 C ATOM 8 CD1 ILE A 8 4.105 -1.594 -2.533 1.00 0.00 C ATOM 0 HA ILE A 8 3.628 0.356 -0.813 1.00 0.00 H new ATOM 0 HB ILE A 8 3.071 1.550 -3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 8 2.353 -0.767 -3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 8 3.793 -0.640 -4.413 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.460 1.142 -3.996 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.221 2.303 -2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.675 0.621 -2.308 1.00 0.00 H new ATOM 0 HD11 ILE A 8 3.912 -2.586 -2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.179 -1.409 -2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.718 -1.538 -1.516 1.00 0.00 H new ATOM 20 N GLY A 9 2.585 3.413 -1.528 1.00 0.00 N ATOM 21 CA GLY A 9 2.711 4.814 -1.142 1.00 0.00 C ATOM 22 C GLY A 9 2.513 4.991 0.358 1.00 0.00 C ATOM 23 O GLY A 9 3.104 5.881 0.971 1.00 0.00 O ATOM 0 H GLY A 9 1.869 3.233 -2.232 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.695 5.186 -1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.975 5.410 -1.682 1.00 0.00 H new ATOM 27 N TRP A 10 1.679 4.140 0.945 1.00 0.00 N ATOM 28 CA TRP A 10 1.432 4.176 2.381 1.00 0.00 C ATOM 29 C TRP A 10 2.733 4.069 3.167 1.00 0.00 C ATOM 30 O TRP A 10 3.071 4.957 3.949 1.00 0.00 O ATOM 31 CB TRP A 10 0.491 3.041 2.789 1.00 0.00 C ATOM 32 CG TRP A 10 0.362 2.874 4.273 1.00 0.00 C ATOM 33 CD1 TRP A 10 0.415 3.861 5.212 1.00 0.00 C ATOM 34 CD2 TRP A 10 0.157 1.639 5.001 1.00 0.00 C ATOM 35 NE1 TRP A 10 0.259 3.328 6.468 1.00 0.00 N ATOM 36 CE2 TRP A 10 0.099 1.969 6.357 1.00 0.00 C ATOM 37 CE3 TRP A 10 0.020 0.300 4.615 1.00 0.00 C ATOM 38 CZ2 TRP A 10 -0.090 1.009 7.339 1.00 0.00 C ATOM 39 CZ3 TRP A 10 -0.170 -0.663 5.599 1.00 0.00 C ATOM 40 CH2 TRP A 10 -0.224 -0.317 6.925 1.00 0.00 C ATOM 0 H TRP A 10 1.162 3.415 0.447 1.00 0.00 H new ATOM 0 HA TRP A 10 0.965 5.133 2.613 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -0.496 3.228 2.366 1.00 0.00 H new ATOM 0 HB3 TRP A 10 0.852 2.108 2.357 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.559 4.910 4.999 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.262 3.856 7.341 1.00 0.00 H new ATOM 0 HE3 TRP A 10 0.061 0.021 3.573 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -0.132 1.277 8.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -0.277 -1.700 5.315 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -0.374 -1.088 7.666 1.00 0.00 H new ATOM 51 N LEU A 11 3.458 2.977 2.954 1.00 0.00 N ATOM 52 CA LEU A 11 4.686 2.716 3.695 1.00 0.00 C ATOM 53 C LEU A 11 5.854 3.509 3.123 1.00 0.00 C ATOM 54 O LEU A 11 6.858 3.731 3.800 1.00 0.00 O ATOM 55 CB LEU A 11 5.015 1.218 3.667 1.00 0.00 C ATOM 56 CG LEU A 11 3.984 0.299 4.334 1.00 0.00 C ATOM 57 CD1 LEU A 11 4.441 -1.149 4.214 1.00 0.00 C ATOM 58 CD2 LEU A 11 3.815 0.699 5.792 1.00 0.00 C ATOM 0 H LEU A 11 3.216 2.257 2.273 1.00 0.00 H new ATOM 0 HA LEU A 11 4.527 3.032 4.726 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.131 0.910 2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.978 1.067 4.154 1.00 0.00 H new ATOM 0 HG LEU A 11 3.020 0.398 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.708 -1.802 4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.536 -1.414 3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.406 -1.268 4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.082 0.046 6.266 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.771 0.607 6.308 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.471 1.732 5.848 1.00 0.00 H new ATOM 70 N GLN A 12 5.717 3.935 1.871 1.00 0.00 N ATOM 71 CA GLN A 12 6.728 4.767 1.230 1.00 0.00 C ATOM 72 C GLN A 12 6.876 6.103 1.946 1.00 0.00 C ATOM 73 O GLN A 12 7.989 6.588 2.152 1.00 0.00 O ATOM 74 CB GLN A 12 6.376 4.998 -0.242 1.00 0.00 C ATOM 75 CG GLN A 12 7.420 5.786 -1.015 1.00 0.00 C ATOM 76 CD GLN A 12 7.047 5.965 -2.474 1.00 0.00 C ATOM 77 OE1 GLN A 12 5.961 5.567 -2.905 1.00 0.00 O ATOM 78 NE2 GLN A 12 7.947 6.565 -3.245 1.00 0.00 N ATOM 0 H GLN A 12 4.915 3.717 1.280 1.00 0.00 H new ATOM 0 HA GLN A 12 7.680 4.240 1.289 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.234 4.032 -0.726 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.424 5.525 -0.298 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.548 6.765 -0.553 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.380 5.274 -0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.832 6.878 -2.847 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.753 6.713 -4.235 1.00 0.00 H new ATOM 87 N GLU A 13 5.748 6.696 2.322 1.00 0.00 N ATOM 88 CA GLU A 13 5.752 7.906 3.135 1.00 0.00 C ATOM 89 C GLU A 13 6.414 7.660 4.485 1.00 0.00 C ATOM 90 O GLU A 13 7.229 8.460 4.943 1.00 0.00 O ATOM 91 CB GLU A 13 4.324 8.415 3.342 1.00 0.00 C ATOM 92 CG GLU A 13 3.680 9.005 2.095 1.00 0.00 C ATOM 93 CD GLU A 13 2.231 9.351 2.293 1.00 0.00 C ATOM 94 OE1 GLU A 13 1.711 9.072 3.346 1.00 0.00 O ATOM 95 OE2 GLU A 13 1.642 9.895 1.388 1.00 0.00 O1- ATOM 0 H GLU A 13 4.818 6.357 2.076 1.00 0.00 H new ATOM 0 HA GLU A 13 6.328 8.663 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.706 7.592 3.700 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.331 9.173 4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.225 9.901 1.800 1.00 0.00 H new ATOM 0 HG3 GLU A 13 3.770 8.293 1.274 1.00 0.00 H new ATOM 102 N MET A 14 6.057 6.548 5.119 1.00 0.00 N ATOM 103 CA MET A 14 6.657 6.165 6.392 1.00 0.00 C ATOM 104 C MET A 14 8.164 5.982 6.258 1.00 0.00 C ATOM 105 O MET A 14 8.921 6.296 7.176 1.00 0.00 O ATOM 106 CB MET A 14 6.010 4.886 6.918 1.00 0.00 C ATOM 107 CG MET A 14 4.570 5.055 7.384 1.00 0.00 C ATOM 108 SD MET A 14 3.847 3.513 7.978 1.00 0.00 S ATOM 109 CE MET A 14 4.824 3.226 9.451 1.00 0.00 C ATOM 0 H MET A 14 5.354 5.895 4.772 1.00 0.00 H new ATOM 0 HA MET A 14 6.479 6.970 7.105 1.00 0.00 H new ATOM 0 HB2 MET A 14 6.039 4.130 6.134 1.00 0.00 H new ATOM 0 HB3 MET A 14 6.606 4.507 7.748 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.535 5.799 8.180 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.969 5.440 6.561 1.00 0.00 H new ATOM 0 HE1 MET A 14 4.163 3.004 10.289 1.00 0.00 H new ATOM 0 HE2 MET A 14 5.494 2.383 9.284 1.00 0.00 H new ATOM 0 HE3 MET A 14 5.410 4.116 9.678 1.00 0.00 H new ATOM 119 N CYS A 15 8.592 5.473 5.108 1.00 0.00 N ATOM 120 CA CYS A 15 10.013 5.291 4.833 1.00 0.00 C ATOM 121 C CYS A 15 10.723 6.631 4.694 1.00 0.00 C ATOM 122 O CYS A 15 11.759 6.863 5.317 1.00 0.00 O ATOM 123 CB CYS A 15 10.213 4.478 3.553 1.00 0.00 C ATOM 124 SG CYS A 15 9.847 2.716 3.733 1.00 0.00 S ATOM 0 H CYS A 15 7.975 5.179 4.351 1.00 0.00 H new ATOM 0 HA CYS A 15 10.443 4.751 5.677 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.578 4.892 2.770 1.00 0.00 H new ATOM 0 HB3 CYS A 15 11.245 4.592 3.221 1.00 0.00 H new ATOM 0 HG CYS A 15 8.559 2.543 3.777 1.00 0.00 H new ATOM 130 N MET A 16 10.160 7.511 3.873 1.00 0.00 N ATOM 131 CA MET A 16 10.772 8.806 3.601 1.00 0.00 C ATOM 132 C MET A 16 10.945 9.613 4.882 1.00 0.00 C ATOM 133 O MET A 16 11.924 10.342 5.040 1.00 0.00 O ATOM 134 CB MET A 16 9.934 9.584 2.589 1.00 0.00 C ATOM 135 CG MET A 16 9.991 9.036 1.170 1.00 0.00 C ATOM 136 SD MET A 16 9.194 10.124 -0.028 1.00 0.00 S ATOM 137 CE MET A 16 7.468 9.851 0.363 1.00 0.00 C ATOM 0 H MET A 16 9.279 7.350 3.384 1.00 0.00 H new ATOM 0 HA MET A 16 11.762 8.631 3.179 1.00 0.00 H new ATOM 0 HB2 MET A 16 8.896 9.588 2.922 1.00 0.00 H new ATOM 0 HB3 MET A 16 10.270 10.621 2.579 1.00 0.00 H new ATOM 0 HG2 MET A 16 11.032 8.888 0.884 1.00 0.00 H new ATOM 0 HG3 MET A 16 9.510 8.058 1.143 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.847 10.219 -0.454 1.00 0.00 H new ATOM 0 HE2 MET A 16 7.291 8.785 0.502 1.00 0.00 H new ATOM 0 HE3 MET A 16 7.214 10.384 1.280 1.00 0.00 H new ATOM 147 N GLN A 17 9.987 9.479 5.793 1.00 0.00 N ATOM 148 CA GLN A 17 10.034 10.192 7.064 1.00 0.00 C ATOM 149 C GLN A 17 11.094 9.604 7.987 1.00 0.00 C ATOM 150 O GLN A 17 11.479 10.222 8.979 1.00 0.00 O ATOM 151 CB GLN A 17 8.666 10.156 7.750 1.00 0.00 C ATOM 152 CG GLN A 17 7.596 10.975 7.048 1.00 0.00 C ATOM 153 CD GLN A 17 6.247 10.872 7.733 1.00 0.00 C ATOM 154 OE1 GLN A 17 6.107 10.208 8.764 1.00 0.00 O ATOM 155 NE2 GLN A 17 5.244 11.531 7.164 1.00 0.00 N ATOM 0 H GLN A 17 9.168 8.883 5.675 1.00 0.00 H new ATOM 0 HA GLN A 17 10.299 11.228 6.854 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.331 9.121 7.814 1.00 0.00 H new ATOM 0 HB3 GLN A 17 8.775 10.520 8.772 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.905 12.020 7.015 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.503 10.638 6.016 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.405 12.068 6.312 1.00 0.00 H new ATOM 0 HE22 GLN A 17 4.313 11.500 7.579 1.00 0.00 H new ATOM 164 N ARG A 18 11.563 8.406 7.654 1.00 0.00 N ATOM 165 CA ARG A 18 12.526 7.701 8.490 1.00 0.00 C ATOM 166 C ARG A 18 13.843 7.488 7.754 1.00 0.00 C ATOM 167 O ARG A 18 14.697 6.721 8.199 1.00 0.00 O ATOM 168 CB ARG A 18 11.970 6.354 8.928 1.00 0.00 C ATOM 169 CG ARG A 18 10.795 6.430 9.890 1.00 0.00 C ATOM 170 CD ARG A 18 10.170 5.099 10.101 1.00 0.00 C ATOM 171 NE ARG A 18 9.136 5.141 11.122 1.00 0.00 N ATOM 172 CZ ARG A 18 7.896 5.633 10.935 1.00 0.00 C ATOM 173 NH1 ARG A 18 7.551 6.120 9.764 1.00 0.00 N1+ ATOM 174 NH2 ARG A 18 7.025 5.625 11.929 1.00 0.00 N ATOM 0 H ARG A 18 11.291 7.903 6.809 1.00 0.00 H new ATOM 0 HA ARG A 18 12.711 8.319 9.368 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.661 5.799 8.042 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.770 5.782 9.399 1.00 0.00 H new ATOM 0 HG2 ARG A 18 11.133 6.829 10.846 1.00 0.00 H new ATOM 0 HG3 ARG A 18 10.050 7.124 9.501 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.740 4.747 9.163 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.936 4.380 10.390 1.00 0.00 H new ATOM 0 HE ARG A 18 9.366 4.772 12.045 1.00 0.00 H new ATOM 0 HH11 ARG A 18 8.222 6.126 8.996 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.612 6.492 9.623 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.292 5.246 12.838 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.086 5.998 11.787 1.00 0.00 H new ATOM 188 N ARG A 19 14.001 8.171 6.625 1.00 0.00 N ATOM 189 CA ARG A 19 15.214 8.055 5.824 1.00 0.00 C ATOM 190 C ARG A 19 15.449 6.615 5.385 1.00 0.00 C ATOM 191 O ARG A 19 16.591 6.179 5.241 1.00 0.00 O ATOM 192 CB ARG A 19 16.422 8.548 6.606 1.00 0.00 C ATOM 193 CG ARG A 19 16.359 10.007 7.029 1.00 0.00 C ATOM 194 CD ARG A 19 17.544 10.397 7.834 1.00 0.00 C ATOM 195 NE ARG A 19 17.399 11.727 8.403 1.00 0.00 N ATOM 196 CZ ARG A 19 18.299 12.314 9.216 1.00 0.00 C ATOM 197 NH1 ARG A 19 19.402 11.677 9.544 1.00 0.00 N1+ ATOM 198 NH2 ARG A 19 18.074 13.530 9.684 1.00 0.00 N ATOM 0 H ARG A 19 13.304 8.811 6.244 1.00 0.00 H new ATOM 0 HA ARG A 19 15.081 8.674 4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.536 7.931 7.497 1.00 0.00 H new ATOM 0 HB3 ARG A 19 17.315 8.399 5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 19 16.296 10.640 6.144 1.00 0.00 H new ATOM 0 HG3 ARG A 19 15.452 10.179 7.609 1.00 0.00 H new ATOM 0 HD2 ARG A 19 17.692 9.673 8.636 1.00 0.00 H new ATOM 0 HD3 ARG A 19 18.435 10.366 7.207 1.00 0.00 H new ATOM 0 HE ARG A 19 16.557 12.253 8.170 1.00 0.00 H new ATOM 0 HH11 ARG A 19 19.576 10.739 9.183 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.084 12.121 10.159 1.00 0.00 H new ATOM 0 HH21 ARG A 19 17.219 14.024 9.430 1.00 0.00 H new ATOM 0 HH22 ARG A 19 18.756 13.974 10.299 1.00 0.00 H new ATOM 212 N TRP A 20 14.362 5.881 5.174 1.00 0.00 N ATOM 213 CA TRP A 20 14.446 4.510 4.685 1.00 0.00 C ATOM 214 C TRP A 20 14.206 4.445 3.182 1.00 0.00 C ATOM 215 O TRP A 20 13.593 5.342 2.603 1.00 0.00 O ATOM 216 CB TRP A 20 13.429 3.624 5.406 1.00 0.00 C ATOM 217 CG TRP A 20 13.759 3.386 6.849 1.00 0.00 C ATOM 218 CD1 TRP A 20 14.924 3.702 7.481 1.00 0.00 C ATOM 219 CD2 TRP A 20 12.911 2.777 7.852 1.00 0.00 C ATOM 220 NE1 TRP A 20 14.861 3.332 8.802 1.00 0.00 N ATOM 221 CE2 TRP A 20 13.635 2.766 9.047 1.00 0.00 C ATOM 222 CE3 TRP A 20 11.614 2.249 7.832 1.00 0.00 C ATOM 223 CZ2 TRP A 20 13.110 2.245 10.219 1.00 0.00 C ATOM 224 CZ3 TRP A 20 11.086 1.727 9.007 1.00 0.00 C ATOM 225 CH2 TRP A 20 11.816 1.727 10.170 1.00 0.00 C ATOM 0 H TRP A 20 13.411 6.213 5.334 1.00 0.00 H new ATOM 0 HA TRP A 20 15.453 4.146 4.891 1.00 0.00 H new ATOM 0 HB2 TRP A 20 12.444 4.086 5.338 1.00 0.00 H new ATOM 0 HB3 TRP A 20 13.367 2.664 4.893 1.00 0.00 H new ATOM 0 HD1 TRP A 20 15.774 4.175 7.011 1.00 0.00 H new ATOM 0 HE1 TRP A 20 15.604 3.457 9.489 1.00 0.00 H new ATOM 0 HE3 TRP A 20 11.035 2.247 6.920 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 13.681 2.240 11.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 10.087 1.316 9.005 1.00 0.00 H new ATOM 0 HH2 TRP A 20 11.378 1.316 11.068 1.00 0.00 H new ATOM 236 N PRO A 21 14.693 3.380 2.556 1.00 0.00 N ATOM 237 CA PRO A 21 14.472 3.160 1.132 1.00 0.00 C ATOM 238 C PRO A 21 13.013 2.832 0.845 1.00 0.00 C ATOM 239 O PRO A 21 12.373 2.096 1.597 1.00 0.00 O ATOM 240 CB PRO A 21 15.391 1.975 0.819 1.00 0.00 C ATOM 241 CG PRO A 21 15.479 1.230 2.107 1.00 0.00 C ATOM 242 CD PRO A 21 15.508 2.306 3.160 1.00 0.00 C ATOM 0 HA PRO A 21 14.688 4.036 0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 21 14.980 1.351 0.025 1.00 0.00 H new ATOM 0 HB3 PRO A 21 16.373 2.310 0.485 1.00 0.00 H new ATOM 0 HG2 PRO A 21 14.625 0.566 2.241 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.375 0.610 2.147 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.085 1.960 4.103 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.524 2.639 3.369 1.00 0.00 H new ATOM 250 N PRO A 22 12.492 3.380 -0.247 1.00 0.00 N ATOM 251 CA PRO A 22 11.119 3.110 -0.660 1.00 0.00 C ATOM 252 C PRO A 22 10.871 1.614 -0.802 1.00 0.00 C ATOM 253 O PRO A 22 11.742 0.871 -1.253 1.00 0.00 O ATOM 254 CB PRO A 22 11.017 3.830 -2.008 1.00 0.00 C ATOM 255 CG PRO A 22 12.009 4.938 -1.907 1.00 0.00 C ATOM 256 CD PRO A 22 13.165 4.339 -1.151 1.00 0.00 C ATOM 0 HA PRO A 22 10.376 3.452 0.061 1.00 0.00 H new ATOM 0 HB2 PRO A 22 11.251 3.160 -2.836 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.011 4.211 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 22 12.317 5.286 -2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.593 5.797 -1.381 1.00 0.00 H new ATOM 0 HD2 PRO A 22 13.872 3.843 -1.816 1.00 0.00 H new ATOM 0 HD3 PRO A 22 13.724 5.094 -0.598 1.00 0.00 H new ATOM 264 N PRO A 23 9.677 1.178 -0.414 1.00 0.00 N ATOM 265 CA PRO A 23 9.302 -0.226 -0.524 1.00 0.00 C ATOM 266 C PRO A 23 9.005 -0.605 -1.970 1.00 0.00 C ATOM 267 O PRO A 23 8.745 0.259 -2.807 1.00 0.00 O ATOM 268 CB PRO A 23 8.049 -0.318 0.352 1.00 0.00 C ATOM 269 CG PRO A 23 7.430 1.034 0.248 1.00 0.00 C ATOM 270 CD PRO A 23 8.600 1.980 0.213 1.00 0.00 C ATOM 0 HA PRO A 23 10.091 -0.909 -0.209 1.00 0.00 H new ATOM 0 HB2 PRO A 23 7.371 -1.095 -0.003 1.00 0.00 H new ATOM 0 HB3 PRO A 23 8.302 -0.562 1.384 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.820 1.123 -0.651 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.778 1.239 1.097 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.375 2.874 -0.368 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.878 2.312 1.213 1.00 0.00 H new ATOM 278 N SER A 24 9.045 -1.902 -2.256 1.00 0.00 N ATOM 279 CA SER A 24 8.744 -2.401 -3.593 1.00 0.00 C ATOM 280 C SER A 24 7.948 -3.698 -3.530 1.00 0.00 C ATOM 281 O SER A 24 7.731 -4.253 -2.453 1.00 0.00 O ATOM 282 CB SER A 24 10.028 -2.622 -4.368 1.00 0.00 C ATOM 283 OG SER A 24 10.788 -3.653 -3.799 1.00 0.00 O ATOM 0 H SER A 24 9.283 -2.627 -1.579 1.00 0.00 H new ATOM 0 HA SER A 24 8.138 -1.653 -4.103 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.794 -2.867 -5.404 1.00 0.00 H new ATOM 0 HB3 SER A 24 10.611 -1.701 -4.382 1.00 0.00 H new ATOM 0 HG SER A 24 11.610 -3.778 -4.317 1.00 0.00 H new ATOM 289 N TYR A 25 7.516 -4.177 -4.692 1.00 0.00 N ATOM 290 CA TYR A 25 6.701 -5.384 -4.767 1.00 0.00 C ATOM 291 C TYR A 25 6.928 -6.121 -6.080 1.00 0.00 C ATOM 292 O TYR A 25 7.399 -5.539 -7.057 1.00 0.00 O ATOM 293 CB TYR A 25 5.219 -5.040 -4.601 1.00 0.00 C ATOM 294 CG TYR A 25 4.634 -4.281 -5.772 1.00 0.00 C ATOM 295 CD1 TYR A 25 3.962 -4.963 -6.775 1.00 0.00 C ATOM 296 CD2 TYR A 25 4.770 -2.902 -5.842 1.00 0.00 C ATOM 297 CE1 TYR A 25 3.428 -4.270 -7.844 1.00 0.00 C ATOM 298 CE2 TYR A 25 4.236 -2.209 -6.911 1.00 0.00 C ATOM 299 CZ TYR A 25 3.567 -2.888 -7.909 1.00 0.00 C ATOM 300 OH TYR A 25 3.035 -2.198 -8.973 1.00 0.00 O ATOM 0 H TYR A 25 7.717 -3.747 -5.595 1.00 0.00 H new ATOM 0 HA TYR A 25 7.003 -6.043 -3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.655 -5.962 -4.459 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.092 -4.447 -3.695 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.856 -6.036 -6.720 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.293 -2.371 -5.061 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.905 -4.800 -8.626 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.342 -1.136 -6.966 1.00 0.00 H new ATOM 0 HH TYR A 25 3.218 -1.241 -8.867 1.00 0.00 H new ATOM 310 N GLU A 26 6.591 -7.407 -6.097 1.00 0.00 N ATOM 311 CA GLU A 26 6.618 -8.189 -7.327 1.00 0.00 C ATOM 312 C GLU A 26 5.363 -9.042 -7.464 1.00 0.00 C ATOM 313 O GLU A 26 5.019 -9.806 -6.562 1.00 0.00 O ATOM 314 CB GLU A 26 7.860 -9.082 -7.364 1.00 0.00 C ATOM 315 CG GLU A 26 8.013 -9.892 -8.644 1.00 0.00 C ATOM 316 CD GLU A 26 9.251 -10.746 -8.651 1.00 0.00 C ATOM 317 OE1 GLU A 26 10.322 -10.206 -8.515 1.00 0.00 O ATOM 318 OE2 GLU A 26 9.124 -11.939 -8.794 1.00 0.00 O1- ATOM 0 H GLU A 26 6.296 -7.929 -5.272 1.00 0.00 H new ATOM 0 HA GLU A 26 6.653 -7.492 -8.164 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.745 -8.459 -7.235 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.826 -9.767 -6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.138 -10.529 -8.772 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.041 -9.213 -9.496 1.00 0.00 H new ATOM 325 N THR A 27 4.682 -8.907 -8.597 1.00 0.00 N ATOM 326 CA THR A 27 3.427 -9.613 -8.826 1.00 0.00 C ATOM 327 C THR A 27 3.666 -10.951 -9.512 1.00 0.00 C ATOM 328 O THR A 27 4.395 -11.031 -10.501 1.00 0.00 O ATOM 329 CB THR A 27 2.459 -8.764 -9.670 1.00 0.00 C ATOM 330 OG1 THR A 27 2.164 -7.543 -8.980 1.00 0.00 O ATOM 331 CG2 THR A 27 1.167 -9.524 -9.925 1.00 0.00 C ATOM 0 H THR A 27 4.979 -8.314 -9.372 1.00 0.00 H new ATOM 0 HA THR A 27 2.976 -9.795 -7.850 1.00 0.00 H new ATOM 0 HB THR A 27 2.933 -8.543 -10.626 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.549 -7.003 -9.519 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.495 -8.909 -10.523 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.388 -10.447 -10.461 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.691 -9.762 -8.974 1.00 0.00 H new ATOM 339 N GLU A 28 3.048 -12.001 -8.982 1.00 0.00 N ATOM 340 CA GLU A 28 3.174 -13.335 -9.557 1.00 0.00 C ATOM 341 C GLU A 28 1.984 -13.667 -10.447 1.00 0.00 C ATOM 342 O GLU A 28 0.923 -13.052 -10.336 1.00 0.00 O ATOM 343 CB GLU A 28 3.302 -14.383 -8.449 1.00 0.00 C ATOM 344 CG GLU A 28 4.540 -14.229 -7.577 1.00 0.00 C ATOM 345 CD GLU A 28 4.626 -15.267 -6.494 1.00 0.00 C ATOM 346 OE1 GLU A 28 3.726 -16.066 -6.389 1.00 0.00 O ATOM 347 OE2 GLU A 28 5.593 -15.262 -5.769 1.00 0.00 O1- ATOM 0 H GLU A 28 2.454 -11.954 -8.154 1.00 0.00 H new ATOM 0 HA GLU A 28 4.075 -13.349 -10.170 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.417 -14.333 -7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.313 -15.374 -8.903 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.430 -14.291 -8.204 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.538 -13.238 -7.124 1.00 0.00 H new ATOM 354 N THR A 29 2.165 -14.642 -11.331 1.00 0.00 N ATOM 355 CA THR A 29 1.100 -15.069 -12.231 1.00 0.00 C ATOM 356 C THR A 29 -0.092 -15.612 -11.454 1.00 0.00 C ATOM 357 O THR A 29 0.070 -16.383 -10.508 1.00 0.00 O ATOM 358 CB THR A 29 1.604 -16.137 -13.219 1.00 0.00 C ATOM 359 OG1 THR A 29 2.702 -15.611 -13.977 1.00 0.00 O ATOM 360 CG2 THR A 29 0.491 -16.554 -14.167 1.00 0.00 C ATOM 0 H THR A 29 3.041 -15.152 -11.444 1.00 0.00 H new ATOM 0 HA THR A 29 0.781 -14.192 -12.794 1.00 0.00 H new ATOM 0 HB THR A 29 1.930 -17.009 -12.653 1.00 0.00 H new ATOM 0 HG1 THR A 29 3.023 -16.292 -14.604 1.00 0.00 H new ATOM 0 HG21 THR A 29 0.866 -17.309 -14.858 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.340 -16.966 -13.594 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.148 -15.686 -14.730 1.00 0.00 H new ATOM 368 N GLU A 30 -1.290 -15.205 -11.859 1.00 0.00 N ATOM 369 CA GLU A 30 -2.511 -15.618 -11.176 1.00 0.00 C ATOM 370 C GLU A 30 -2.690 -17.129 -11.234 1.00 0.00 C ATOM 371 O GLU A 30 -2.219 -17.785 -12.164 1.00 0.00 O ATOM 372 CB GLU A 30 -3.728 -14.925 -11.794 1.00 0.00 C ATOM 373 CG GLU A 30 -4.053 -15.373 -13.212 1.00 0.00 C ATOM 374 CD GLU A 30 -3.186 -14.713 -14.247 1.00 0.00 C ATOM 375 OE1 GLU A 30 -2.366 -13.906 -13.881 1.00 0.00 O ATOM 376 OE2 GLU A 30 -3.343 -15.017 -15.406 1.00 0.00 O1- ATOM 0 H GLU A 30 -1.442 -14.589 -12.658 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.424 -15.323 -10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.596 -15.108 -11.160 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.556 -13.849 -11.796 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.935 -16.454 -13.282 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.099 -15.152 -13.427 1.00 0.00 H new ATOM 383 N VAL A 31 -3.374 -17.678 -10.236 1.00 0.00 N ATOM 384 CA VAL A 31 -3.567 -19.120 -10.140 1.00 0.00 C ATOM 385 C VAL A 31 -5.038 -19.468 -9.959 1.00 0.00 C ATOM 386 O VAL A 31 -5.377 -20.569 -9.525 1.00 0.00 O ATOM 387 CB VAL A 31 -2.758 -19.689 -8.960 1.00 0.00 C ATOM 388 CG1 VAL A 31 -1.266 -19.515 -9.203 1.00 0.00 C ATOM 389 CG2 VAL A 31 -3.177 -19.006 -7.667 1.00 0.00 C ATOM 0 H VAL A 31 -3.805 -17.145 -9.481 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.216 -19.564 -11.072 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.963 -20.756 -8.873 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.710 -19.923 -8.359 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.982 -20.042 -10.114 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.036 -18.455 -9.311 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.600 -19.414 -6.837 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.993 -17.935 -7.745 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.239 -19.180 -7.491 1.00 0.00 H new ATOM 399 N GLY A 32 -5.911 -18.523 -10.293 1.00 0.00 N ATOM 400 CA GLY A 32 -7.346 -18.709 -10.118 1.00 0.00 C ATOM 401 C GLY A 32 -8.016 -19.094 -11.431 1.00 0.00 C ATOM 402 O GLY A 32 -7.395 -19.705 -12.300 1.00 0.00 O ATOM 0 H GLY A 32 -5.649 -17.619 -10.687 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.527 -19.484 -9.373 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.790 -17.790 -9.736 1.00 0.00 H new ATOM 406 N LEU A 33 -9.288 -18.734 -11.568 1.00 0.00 N ATOM 407 CA LEU A 33 -10.062 -19.091 -12.751 1.00 0.00 C ATOM 408 C LEU A 33 -10.147 -17.924 -13.726 1.00 0.00 C ATOM 409 O LEU A 33 -9.940 -16.770 -13.349 1.00 0.00 O ATOM 410 CB LEU A 33 -11.474 -19.531 -12.347 1.00 0.00 C ATOM 411 CG LEU A 33 -11.549 -20.701 -11.357 1.00 0.00 C ATOM 412 CD1 LEU A 33 -13.003 -20.970 -10.997 1.00 0.00 C ATOM 413 CD2 LEU A 33 -10.901 -21.931 -11.975 1.00 0.00 C ATOM 0 H LEU A 33 -9.805 -18.195 -10.873 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.553 -19.917 -13.247 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.990 -18.676 -11.910 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.021 -19.807 -13.249 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.010 -20.451 -10.443 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -13.056 -21.801 -10.294 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.435 -20.080 -10.540 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -13.561 -21.222 -11.899 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.954 -22.762 -11.272 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.427 -22.197 -12.892 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.857 -21.716 -12.204 1.00 0.00 H new ATOM 425 N PRO A 34 -10.452 -18.230 -14.982 1.00 0.00 N ATOM 426 CA PRO A 34 -10.620 -17.202 -16.003 1.00 0.00 C ATOM 427 C PRO A 34 -11.647 -16.162 -15.572 1.00 0.00 C ATOM 428 O PRO A 34 -11.513 -14.978 -15.883 1.00 0.00 O ATOM 429 CB PRO A 34 -11.100 -17.999 -17.219 1.00 0.00 C ATOM 430 CG PRO A 34 -10.523 -19.359 -17.016 1.00 0.00 C ATOM 431 CD PRO A 34 -10.629 -19.592 -15.533 1.00 0.00 C ATOM 0 HA PRO A 34 -9.710 -16.636 -16.200 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -12.188 -18.032 -17.269 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.751 -17.553 -18.150 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -11.075 -20.113 -17.577 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.487 -19.406 -17.353 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.593 -20.019 -15.257 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -9.862 -20.278 -15.174 1.00 0.00 H new ATOM 439 N HIS A 35 -12.672 -16.611 -14.855 1.00 0.00 N ATOM 440 CA HIS A 35 -13.746 -15.727 -14.418 1.00 0.00 C ATOM 441 C HIS A 35 -13.487 -15.199 -13.013 1.00 0.00 C ATOM 442 O HIS A 35 -14.043 -14.177 -12.611 1.00 0.00 O ATOM 443 CB HIS A 35 -15.094 -16.454 -14.455 1.00 0.00 C ATOM 444 CG HIS A 35 -15.513 -16.873 -15.830 1.00 0.00 C ATOM 445 ND1 HIS A 35 -15.960 -15.975 -16.777 1.00 0.00 N ATOM 446 CD2 HIS A 35 -15.555 -18.092 -16.417 1.00 0.00 C ATOM 447 CE1 HIS A 35 -16.257 -16.626 -17.889 1.00 0.00 C ATOM 448 NE2 HIS A 35 -16.021 -17.910 -17.696 1.00 0.00 N ATOM 0 H HIS A 35 -12.781 -17.583 -14.564 1.00 0.00 H new ATOM 0 HA HIS A 35 -13.777 -14.883 -15.106 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -15.039 -17.336 -13.817 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -15.860 -15.803 -14.034 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -15.275 -19.032 -15.964 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -16.629 -16.182 -18.800 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -16.162 -18.648 -18.386 1.00 0.00 H new ATOM 455 N GLU A 36 -12.638 -15.901 -12.269 1.00 0.00 N ATOM 456 CA GLU A 36 -12.285 -15.491 -10.915 1.00 0.00 C ATOM 457 C GLU A 36 -10.803 -15.710 -10.642 1.00 0.00 C ATOM 458 O GLU A 36 -10.423 -16.646 -9.939 1.00 0.00 O ATOM 459 CB GLU A 36 -13.122 -16.260 -9.890 1.00 0.00 C ATOM 460 CG GLU A 36 -13.011 -15.733 -8.466 1.00 0.00 C ATOM 461 CD GLU A 36 -13.831 -16.523 -7.485 1.00 0.00 C ATOM 462 OE1 GLU A 36 -14.448 -17.479 -7.889 1.00 0.00 O ATOM 463 OE2 GLU A 36 -13.840 -16.170 -6.329 1.00 0.00 O1- ATOM 0 H GLU A 36 -12.181 -16.758 -12.582 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.497 -14.426 -10.824 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.168 -16.229 -10.196 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.818 -17.307 -9.902 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -11.966 -15.752 -8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.331 -14.691 -8.443 1.00 0.00 H new ATOM 470 N ARG A 37 -9.969 -14.841 -11.203 1.00 0.00 N ATOM 471 CA ARG A 37 -8.522 -14.977 -11.078 1.00 0.00 C ATOM 472 C ARG A 37 -8.062 -14.687 -9.655 1.00 0.00 C ATOM 473 O ARG A 37 -8.603 -13.807 -8.985 1.00 0.00 O ATOM 474 CB ARG A 37 -7.811 -14.037 -12.040 1.00 0.00 C ATOM 475 CG ARG A 37 -7.979 -14.380 -13.511 1.00 0.00 C ATOM 476 CD ARG A 37 -7.311 -13.384 -14.387 1.00 0.00 C ATOM 477 NE ARG A 37 -7.988 -12.097 -14.359 1.00 0.00 N ATOM 478 CZ ARG A 37 -7.539 -10.983 -14.969 1.00 0.00 C ATOM 479 NH1 ARG A 37 -6.415 -11.013 -15.650 1.00 0.00 N1+ ATOM 480 NH2 ARG A 37 -8.230 -9.859 -14.883 1.00 0.00 N ATOM 0 H ARG A 37 -10.270 -14.034 -11.749 1.00 0.00 H new ATOM 0 HA ARG A 37 -8.267 -16.008 -11.325 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.178 -13.024 -11.874 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -6.747 -14.033 -11.802 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.565 -15.370 -13.703 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.040 -14.426 -13.755 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.276 -13.257 -14.069 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.286 -13.759 -15.410 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.864 -12.033 -13.841 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.882 -11.880 -15.717 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.076 -10.169 -16.112 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.102 -9.836 -14.355 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.891 -9.015 -15.345 1.00 0.00 H new ATOM 494 N LEU A 38 -7.061 -15.432 -9.199 1.00 0.00 N ATOM 495 CA LEU A 38 -6.491 -15.220 -7.874 1.00 0.00 C ATOM 496 C LEU A 38 -5.031 -14.795 -7.964 1.00 0.00 C ATOM 497 O LEU A 38 -4.215 -15.471 -8.590 1.00 0.00 O ATOM 498 CB LEU A 38 -6.606 -16.501 -7.037 1.00 0.00 C ATOM 499 CG LEU A 38 -8.030 -17.029 -6.823 1.00 0.00 C ATOM 500 CD1 LEU A 38 -7.973 -18.361 -6.086 1.00 0.00 C ATOM 501 CD2 LEU A 38 -8.840 -16.006 -6.041 1.00 0.00 C ATOM 0 H LEU A 38 -6.627 -16.189 -9.728 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.053 -14.420 -7.392 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.017 -17.282 -7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.156 -16.318 -6.061 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.516 -17.189 -7.786 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.985 -18.736 -5.934 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.404 -19.079 -6.676 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.489 -18.222 -5.120 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.852 -16.382 -5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.369 -15.831 -5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.880 -15.070 -6.599 1.00 0.00 H new ATOM 513 N PHE A 39 -4.708 -13.671 -7.333 1.00 0.00 N ATOM 514 CA PHE A 39 -3.408 -13.036 -7.518 1.00 0.00 C ATOM 515 C PHE A 39 -2.567 -13.125 -6.251 1.00 0.00 C ATOM 516 O PHE A 39 -3.093 -13.079 -5.140 1.00 0.00 O ATOM 517 CB PHE A 39 -3.583 -11.569 -7.918 1.00 0.00 C ATOM 518 CG PHE A 39 -4.270 -11.379 -9.240 1.00 0.00 C ATOM 519 CD1 PHE A 39 -5.650 -11.266 -9.310 1.00 0.00 C ATOM 520 CD2 PHE A 39 -3.538 -11.314 -10.416 1.00 0.00 C ATOM 521 CE1 PHE A 39 -6.284 -11.091 -10.526 1.00 0.00 C ATOM 522 CE2 PHE A 39 -4.168 -11.139 -11.632 1.00 0.00 C ATOM 523 CZ PHE A 39 -5.543 -11.027 -11.687 1.00 0.00 C ATOM 0 H PHE A 39 -5.329 -13.181 -6.689 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.889 -13.568 -8.316 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.156 -11.057 -7.145 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.603 -11.093 -7.957 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.236 -11.315 -8.404 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -2.462 -11.401 -10.380 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.360 -11.004 -10.567 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.585 -11.090 -12.540 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.037 -10.890 -12.637 1.00 0.00 H new ATOM 533 N THR A 40 -1.256 -13.253 -6.426 1.00 0.00 N ATOM 534 CA THR A 40 -0.330 -13.265 -5.300 1.00 0.00 C ATOM 535 C THR A 40 0.817 -12.287 -5.519 1.00 0.00 C ATOM 536 O THR A 40 1.470 -12.306 -6.562 1.00 0.00 O ATOM 537 CB THR A 40 0.233 -14.678 -5.060 1.00 0.00 C ATOM 538 OG1 THR A 40 -0.844 -15.589 -4.805 1.00 0.00 O ATOM 539 CG2 THR A 40 1.185 -14.679 -3.873 1.00 0.00 C ATOM 0 H THR A 40 -0.811 -13.350 -7.338 1.00 0.00 H new ATOM 0 HA THR A 40 -0.891 -12.955 -4.418 1.00 0.00 H new ATOM 0 HB THR A 40 0.778 -14.990 -5.951 1.00 0.00 H new ATOM 0 HG1 THR A 40 -0.483 -16.488 -4.654 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.573 -15.686 -3.719 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.013 -13.998 -4.070 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.652 -14.354 -2.979 1.00 0.00 H new ATOM 547 N ILE A 41 1.057 -11.434 -4.529 1.00 0.00 N ATOM 548 CA ILE A 41 2.075 -10.396 -4.643 1.00 0.00 C ATOM 549 C ILE A 41 2.972 -10.367 -3.412 1.00 0.00 C ATOM 550 O ILE A 41 2.489 -10.350 -2.280 1.00 0.00 O ATOM 551 CB ILE A 41 1.429 -9.012 -4.840 1.00 0.00 C ATOM 552 CG1 ILE A 41 0.628 -8.978 -6.145 1.00 0.00 C ATOM 553 CG2 ILE A 41 2.492 -7.924 -4.836 1.00 0.00 C ATOM 554 CD1 ILE A 41 -0.098 -7.674 -6.381 1.00 0.00 C ATOM 0 H ILE A 41 0.560 -11.441 -3.638 1.00 0.00 H new ATOM 0 HA ILE A 41 2.684 -10.633 -5.516 1.00 0.00 H new ATOM 0 HB ILE A 41 0.745 -8.827 -4.011 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.304 -9.163 -6.980 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.098 -9.791 -6.136 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.019 -6.952 -4.976 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.021 -7.936 -3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.199 -8.103 -5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.642 -7.726 -7.324 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.800 -7.496 -5.566 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.624 -6.858 -6.423 1.00 0.00 H new ATOM 566 N ALA A 42 4.281 -10.362 -3.640 1.00 0.00 N ATOM 567 CA ALA A 42 5.248 -10.290 -2.552 1.00 0.00 C ATOM 568 C ALA A 42 5.903 -8.916 -2.487 1.00 0.00 C ATOM 569 O ALA A 42 6.414 -8.414 -3.489 1.00 0.00 O ATOM 570 CB ALA A 42 6.305 -11.373 -2.709 1.00 0.00 C ATOM 0 H ALA A 42 4.697 -10.407 -4.570 1.00 0.00 H new ATOM 0 HA ALA A 42 4.713 -10.453 -1.616 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.020 -11.306 -1.889 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.827 -12.353 -2.695 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.827 -11.238 -3.656 1.00 0.00 H new ATOM 576 N CYS A 43 5.885 -8.313 -1.304 1.00 0.00 N ATOM 577 CA CYS A 43 6.417 -6.967 -1.122 1.00 0.00 C ATOM 578 C CYS A 43 7.592 -6.965 -0.153 1.00 0.00 C ATOM 579 O CYS A 43 7.702 -7.841 0.706 1.00 0.00 O ATOM 580 CB CYS A 43 5.331 -6.026 -0.600 1.00 0.00 C ATOM 581 SG CYS A 43 3.885 -5.896 -1.680 1.00 0.00 S ATOM 0 H CYS A 43 5.507 -8.735 -0.456 1.00 0.00 H new ATOM 0 HA CYS A 43 6.763 -6.618 -2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 43 5.008 -6.371 0.382 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.760 -5.033 -0.464 1.00 0.00 H new ATOM 0 HG CYS A 43 3.021 -5.080 -1.153 1.00 0.00 H new ATOM 587 N SER A 44 8.468 -5.977 -0.295 1.00 0.00 N ATOM 588 CA SER A 44 9.661 -5.886 0.538 1.00 0.00 C ATOM 589 C SER A 44 9.920 -4.449 0.974 1.00 0.00 C ATOM 590 O SER A 44 9.695 -3.509 0.211 1.00 0.00 O ATOM 591 CB SER A 44 10.865 -6.420 -0.213 1.00 0.00 C ATOM 592 OG SER A 44 12.028 -6.313 0.560 1.00 0.00 O ATOM 0 H SER A 44 8.374 -5.227 -0.980 1.00 0.00 H new ATOM 0 HA SER A 44 9.494 -6.490 1.430 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.697 -7.463 -0.481 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.991 -5.868 -1.144 1.00 0.00 H new ATOM 0 HG SER A 44 11.809 -6.466 1.503 1.00 0.00 H new ATOM 598 N ILE A 45 10.394 -4.285 2.204 1.00 0.00 N ATOM 599 CA ILE A 45 10.622 -2.960 2.767 1.00 0.00 C ATOM 600 C ILE A 45 11.784 -2.972 3.752 1.00 0.00 C ATOM 601 O ILE A 45 11.807 -3.767 4.691 1.00 0.00 O ATOM 602 CB ILE A 45 9.356 -2.438 3.473 1.00 0.00 C ATOM 603 CG1 ILE A 45 9.553 -0.987 3.917 1.00 0.00 C ATOM 604 CG2 ILE A 45 9.009 -3.320 4.662 1.00 0.00 C ATOM 605 CD1 ILE A 45 8.276 -0.301 4.347 1.00 0.00 C ATOM 0 H ILE A 45 10.628 -5.055 2.831 1.00 0.00 H new ATOM 0 HA ILE A 45 10.870 -2.295 1.940 1.00 0.00 H new ATOM 0 HB ILE A 45 8.526 -2.472 2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.263 -0.963 4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.999 -0.423 3.097 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.112 -2.937 5.149 1.00 0.00 H new ATOM 0 HG22 ILE A 45 8.829 -4.339 4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.837 -3.317 5.371 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.497 0.723 4.647 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.570 -0.292 3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.839 -0.840 5.188 1.00 0.00 H new ATOM 617 N LEU A 46 12.749 -2.086 3.531 1.00 0.00 N ATOM 618 CA LEU A 46 13.910 -1.983 4.407 1.00 0.00 C ATOM 619 C LEU A 46 14.606 -3.329 4.559 1.00 0.00 C ATOM 620 O LEU A 46 15.377 -3.741 3.692 1.00 0.00 O ATOM 621 CB LEU A 46 13.489 -1.459 5.785 1.00 0.00 C ATOM 622 CG LEU A 46 14.630 -1.216 6.782 1.00 0.00 C ATOM 623 CD1 LEU A 46 15.507 -0.076 6.282 1.00 0.00 C ATOM 624 CD2 LEU A 46 14.049 -0.899 8.152 1.00 0.00 C ATOM 0 H LEU A 46 12.750 -1.428 2.752 1.00 0.00 H new ATOM 0 HA LEU A 46 14.611 -1.283 3.953 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.946 -0.524 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.791 -2.171 6.226 1.00 0.00 H new ATOM 0 HG LEU A 46 15.246 -2.111 6.869 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.318 0.097 6.990 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.924 -0.337 5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.908 0.830 6.188 1.00 0.00 H new ATOM 0 HD21 LEU A 46 14.860 -0.726 8.860 1.00 0.00 H new ATOM 0 HD22 LEU A 46 13.428 -0.005 8.086 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.442 -1.738 8.493 1.00 0.00 H new ATOM 636 N ASN A 47 14.330 -4.010 5.666 1.00 0.00 N ATOM 637 CA ASN A 47 14.935 -5.309 5.937 1.00 0.00 C ATOM 638 C ASN A 47 13.872 -6.382 6.129 1.00 0.00 C ATOM 639 O ASN A 47 14.099 -7.378 6.817 1.00 0.00 O ATOM 640 CB ASN A 47 15.842 -5.232 7.151 1.00 0.00 C ATOM 641 CG ASN A 47 17.061 -4.386 6.910 1.00 0.00 C ATOM 642 OD1 ASN A 47 17.575 -4.322 5.787 1.00 0.00 O ATOM 643 ND2 ASN A 47 17.534 -3.734 7.941 1.00 0.00 N ATOM 0 H ASN A 47 13.691 -3.684 6.391 1.00 0.00 H new ATOM 0 HA ASN A 47 15.537 -5.586 5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 47 15.282 -4.824 7.993 1.00 0.00 H new ATOM 0 HB3 ASN A 47 16.153 -6.238 7.432 1.00 0.00 H new ATOM 0 HD21 ASN A 47 18.359 -3.143 7.836 1.00 0.00 H new ATOM 0 HD22 ASN A 47 17.078 -3.816 8.850 1.00 0.00 H new ATOM 650 N TYR A 48 12.711 -6.174 5.517 1.00 0.00 N ATOM 651 CA TYR A 48 11.575 -7.068 5.706 1.00 0.00 C ATOM 652 C TYR A 48 10.979 -7.492 4.370 1.00 0.00 C ATOM 653 O TYR A 48 11.210 -6.851 3.345 1.00 0.00 O ATOM 654 CB TYR A 48 10.507 -6.399 6.574 1.00 0.00 C ATOM 655 CG TYR A 48 10.996 -6.008 7.951 1.00 0.00 C ATOM 656 CD1 TYR A 48 11.584 -4.768 8.152 1.00 0.00 C ATOM 657 CD2 TYR A 48 10.856 -6.889 9.013 1.00 0.00 C ATOM 658 CE1 TYR A 48 12.031 -4.411 9.410 1.00 0.00 C ATOM 659 CE2 TYR A 48 11.303 -6.532 10.270 1.00 0.00 C ATOM 660 CZ TYR A 48 11.888 -5.299 10.470 1.00 0.00 C ATOM 661 OH TYR A 48 12.333 -4.943 11.723 1.00 0.00 O ATOM 0 H TYR A 48 12.532 -5.393 4.885 1.00 0.00 H new ATOM 0 HA TYR A 48 11.934 -7.962 6.215 1.00 0.00 H new ATOM 0 HB2 TYR A 48 10.141 -5.509 6.062 1.00 0.00 H new ATOM 0 HB3 TYR A 48 9.660 -7.077 6.678 1.00 0.00 H new ATOM 0 HD1 TYR A 48 11.693 -4.081 7.325 1.00 0.00 H new ATOM 0 HD2 TYR A 48 10.397 -7.854 8.857 1.00 0.00 H new ATOM 0 HE1 TYR A 48 12.490 -3.446 9.569 1.00 0.00 H new ATOM 0 HE2 TYR A 48 11.194 -7.218 11.097 1.00 0.00 H new ATOM 0 HH TYR A 48 12.158 -5.674 12.352 1.00 0.00 H new ATOM 671 N ARG A 49 10.213 -8.577 4.388 1.00 0.00 N ATOM 672 CA ARG A 49 9.542 -9.061 3.187 1.00 0.00 C ATOM 673 C ARG A 49 8.359 -9.954 3.538 1.00 0.00 C ATOM 674 O ARG A 49 8.487 -10.885 4.334 1.00 0.00 O ATOM 675 CB ARG A 49 10.513 -9.834 2.306 1.00 0.00 C ATOM 676 CG ARG A 49 9.980 -10.192 0.928 1.00 0.00 C ATOM 677 CD ARG A 49 10.997 -10.906 0.114 1.00 0.00 C ATOM 678 NE ARG A 49 10.422 -11.480 -1.092 1.00 0.00 N ATOM 679 CZ ARG A 49 11.137 -11.926 -2.143 1.00 0.00 C ATOM 680 NH1 ARG A 49 12.450 -11.859 -2.121 1.00 0.00 N1+ ATOM 681 NH2 ARG A 49 10.518 -12.432 -3.195 1.00 0.00 N ATOM 0 H ARG A 49 10.041 -9.139 5.222 1.00 0.00 H new ATOM 0 HA ARG A 49 9.175 -8.190 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 49 11.421 -9.244 2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 49 10.795 -10.753 2.820 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.093 -10.817 1.032 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.671 -9.284 0.410 1.00 0.00 H new ATOM 0 HD2 ARG A 49 11.795 -10.215 -0.158 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.450 -11.697 0.712 1.00 0.00 H new ATOM 0 HE ARG A 49 9.406 -11.550 -1.146 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.927 -11.469 -1.308 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.991 -12.197 -2.917 1.00 0.00 H new ATOM 0 HH21 ARG A 49 9.499 -12.485 -3.211 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.059 -12.770 -3.991 1.00 0.00 H new ATOM 695 N GLU A 50 7.208 -9.666 2.940 1.00 0.00 N ATOM 696 CA GLU A 50 6.001 -10.444 3.187 1.00 0.00 C ATOM 697 C GLU A 50 5.181 -10.608 1.914 1.00 0.00 C ATOM 698 O GLU A 50 5.294 -9.810 0.984 1.00 0.00 O ATOM 699 CB GLU A 50 5.149 -9.779 4.271 1.00 0.00 C ATOM 700 CG GLU A 50 5.750 -9.839 5.668 1.00 0.00 C ATOM 701 CD GLU A 50 5.752 -11.228 6.244 1.00 0.00 C ATOM 702 OE1 GLU A 50 5.064 -12.069 5.719 1.00 0.00 O ATOM 703 OE2 GLU A 50 6.442 -11.447 7.212 1.00 0.00 O1- ATOM 0 H GLU A 50 7.086 -8.898 2.280 1.00 0.00 H new ATOM 0 HA GLU A 50 6.307 -11.433 3.528 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.990 -8.735 4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.169 -10.256 4.289 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.773 -9.463 5.635 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.189 -9.178 6.328 1.00 0.00 H new ATOM 710 N MET A 51 4.355 -11.649 1.878 1.00 0.00 N ATOM 711 CA MET A 51 3.599 -11.985 0.677 1.00 0.00 C ATOM 712 C MET A 51 2.120 -12.168 0.991 1.00 0.00 C ATOM 713 O MET A 51 1.759 -12.840 1.957 1.00 0.00 O ATOM 714 CB MET A 51 4.167 -13.248 0.033 1.00 0.00 C ATOM 715 CG MET A 51 3.430 -13.703 -1.219 1.00 0.00 C ATOM 716 SD MET A 51 4.236 -15.096 -2.033 1.00 0.00 S ATOM 717 CE MET A 51 3.860 -16.421 -0.888 1.00 0.00 C ATOM 0 H MET A 51 4.192 -12.274 2.667 1.00 0.00 H new ATOM 0 HA MET A 51 3.692 -11.157 -0.026 1.00 0.00 H new ATOM 0 HB2 MET A 51 5.213 -13.073 -0.219 1.00 0.00 H new ATOM 0 HB3 MET A 51 4.146 -14.055 0.765 1.00 0.00 H new ATOM 0 HG2 MET A 51 2.410 -13.983 -0.954 1.00 0.00 H new ATOM 0 HG3 MET A 51 3.361 -12.870 -1.918 1.00 0.00 H new ATOM 0 HE1 MET A 51 4.167 -17.373 -1.320 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.396 -16.257 0.047 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.788 -16.440 -0.693 1.00 0.00 H new ATOM 727 N GLY A 52 1.267 -11.565 0.169 1.00 0.00 N ATOM 728 CA GLY A 52 -0.176 -11.685 0.340 1.00 0.00 C ATOM 729 C GLY A 52 -0.848 -12.131 -0.952 1.00 0.00 C ATOM 730 O GLY A 52 -0.227 -12.140 -2.015 1.00 0.00 O ATOM 0 H GLY A 52 1.551 -10.988 -0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.393 -12.402 1.132 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.588 -10.727 0.656 1.00 0.00 H new ATOM 734 N LYS A 53 -2.120 -12.502 -0.854 1.00 0.00 N ATOM 735 CA LYS A 53 -2.874 -12.966 -2.012 1.00 0.00 C ATOM 736 C LYS A 53 -4.366 -12.711 -1.837 1.00 0.00 C ATOM 737 O LYS A 53 -4.850 -12.550 -0.716 1.00 0.00 O ATOM 738 CB LYS A 53 -2.621 -14.455 -2.255 1.00 0.00 C ATOM 739 CG LYS A 53 -3.111 -15.367 -1.138 1.00 0.00 C ATOM 740 CD LYS A 53 -2.811 -16.827 -1.445 1.00 0.00 C ATOM 741 CE LYS A 53 -3.304 -17.740 -0.332 1.00 0.00 C ATOM 742 NZ LYS A 53 -3.048 -19.174 -0.634 1.00 0.00 N1+ ATOM 0 H LYS A 53 -2.651 -12.490 0.017 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.531 -12.402 -2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.108 -14.747 -3.186 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.551 -14.612 -2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.634 -15.085 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.184 -15.235 -1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.286 -17.108 -2.385 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.737 -16.959 -1.578 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.810 -17.472 0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.373 -17.586 -0.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.399 -19.762 0.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.540 -19.437 -1.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.026 -19.327 -0.751 1.00 0.00 H new ATOM 756 N GLY A 54 -5.090 -12.675 -2.950 1.00 0.00 N ATOM 757 CA GLY A 54 -6.524 -12.414 -2.923 1.00 0.00 C ATOM 758 C GLY A 54 -7.126 -12.501 -4.320 1.00 0.00 C ATOM 759 O GLY A 54 -6.536 -13.092 -5.225 1.00 0.00 O ATOM 0 H GLY A 54 -4.707 -12.824 -3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.015 -13.133 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.708 -11.424 -2.506 1.00 0.00 H new ATOM 763 N LYS A 55 -8.303 -11.909 -4.489 1.00 0.00 N ATOM 764 CA LYS A 55 -9.035 -12.004 -5.747 1.00 0.00 C ATOM 765 C LYS A 55 -8.630 -10.891 -6.705 1.00 0.00 C ATOM 766 O LYS A 55 -9.125 -10.817 -7.830 1.00 0.00 O ATOM 767 CB LYS A 55 -10.543 -11.958 -5.494 1.00 0.00 C ATOM 768 CG LYS A 55 -11.083 -13.140 -4.699 1.00 0.00 C ATOM 769 CD LYS A 55 -12.584 -13.019 -4.483 1.00 0.00 C ATOM 770 CE LYS A 55 -13.114 -14.160 -3.626 1.00 0.00 C ATOM 771 NZ LYS A 55 -14.587 -14.073 -3.433 1.00 0.00 N1+ ATOM 0 H LYS A 55 -8.771 -11.358 -3.770 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.783 -12.959 -6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.782 -11.038 -4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.059 -11.914 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -10.863 -14.068 -5.227 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -10.578 -13.194 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.809 -12.066 -4.003 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.093 -13.018 -5.447 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.865 -15.112 -4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.619 -14.144 -2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -14.908 -14.868 -2.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.823 -13.176 -2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -15.061 -14.114 -4.358 1.00 0.00 H new ATOM 785 N SER A 56 -7.728 -10.027 -6.253 1.00 0.00 N ATOM 786 CA SER A 56 -7.207 -8.954 -7.092 1.00 0.00 C ATOM 787 C SER A 56 -5.770 -8.613 -6.720 1.00 0.00 C ATOM 788 O SER A 56 -5.303 -8.951 -5.632 1.00 0.00 O ATOM 789 CB SER A 56 -8.078 -7.720 -6.962 1.00 0.00 C ATOM 790 OG SER A 56 -7.935 -7.134 -5.698 1.00 0.00 O ATOM 0 H SER A 56 -7.342 -10.049 -5.309 1.00 0.00 H new ATOM 0 HA SER A 56 -7.220 -9.299 -8.126 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.809 -6.998 -7.734 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.122 -7.988 -7.126 1.00 0.00 H new ATOM 0 HG SER A 56 -8.505 -6.339 -5.639 1.00 0.00 H new ATOM 796 N LYS A 57 -5.072 -7.943 -7.631 1.00 0.00 N ATOM 797 CA LYS A 57 -3.723 -7.460 -7.359 1.00 0.00 C ATOM 798 C LYS A 57 -3.721 -6.438 -6.230 1.00 0.00 C ATOM 799 O LYS A 57 -2.782 -6.378 -5.436 1.00 0.00 O ATOM 800 CB LYS A 57 -3.108 -6.851 -8.620 1.00 0.00 C ATOM 801 CG LYS A 57 -2.799 -7.859 -9.719 1.00 0.00 C ATOM 802 CD LYS A 57 -2.209 -7.177 -10.945 1.00 0.00 C ATOM 803 CE LYS A 57 -2.010 -8.164 -12.086 1.00 0.00 C ATOM 804 NZ LYS A 57 -1.459 -7.505 -13.301 1.00 0.00 N1+ ATOM 0 H LYS A 57 -5.418 -7.722 -8.565 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.120 -8.313 -7.047 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.790 -6.098 -9.015 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.187 -6.335 -8.348 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.100 -8.606 -9.344 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.711 -8.387 -9.998 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.869 -6.372 -11.269 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.254 -6.721 -10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.335 -8.958 -11.766 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.963 -8.635 -12.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.338 -8.211 -14.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.115 -6.765 -13.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.538 -7.078 -13.077 1.00 0.00 H new ATOM 818 N LYS A 58 -4.778 -5.636 -6.162 1.00 0.00 N ATOM 819 CA LYS A 58 -4.929 -4.655 -5.093 1.00 0.00 C ATOM 820 C LYS A 58 -4.960 -5.330 -3.728 1.00 0.00 C ATOM 821 O LYS A 58 -4.249 -4.923 -2.808 1.00 0.00 O ATOM 822 CB LYS A 58 -6.199 -3.828 -5.301 1.00 0.00 C ATOM 823 CG LYS A 58 -6.138 -2.867 -6.480 1.00 0.00 C ATOM 824 CD LYS A 58 -7.433 -2.081 -6.619 1.00 0.00 C ATOM 825 CE LYS A 58 -7.379 -1.130 -7.806 1.00 0.00 C ATOM 826 NZ LYS A 58 -8.650 -0.375 -7.973 1.00 0.00 N1+ ATOM 0 H LYS A 58 -5.544 -5.646 -6.835 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.066 -3.990 -5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -7.040 -4.506 -5.444 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.400 -3.258 -4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.304 -2.178 -6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.948 -3.425 -7.397 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.268 -2.771 -6.741 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.617 -1.516 -5.706 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.556 -0.429 -7.671 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.171 -1.695 -8.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.571 0.261 -8.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.433 -1.042 -8.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.836 0.185 -7.117 1.00 0.00 H new ATOM 840 N ILE A 59 -5.787 -6.361 -3.602 1.00 0.00 N ATOM 841 CA ILE A 59 -5.908 -7.098 -2.349 1.00 0.00 C ATOM 842 C ILE A 59 -4.581 -7.734 -1.954 1.00 0.00 C ATOM 843 O ILE A 59 -4.126 -7.588 -0.819 1.00 0.00 O ATOM 844 CB ILE A 59 -6.989 -8.188 -2.455 1.00 0.00 C ATOM 845 CG1 ILE A 59 -8.375 -7.554 -2.597 1.00 0.00 C ATOM 846 CG2 ILE A 59 -6.942 -9.105 -1.242 1.00 0.00 C ATOM 847 CD1 ILE A 59 -9.457 -8.532 -2.997 1.00 0.00 C ATOM 0 H ILE A 59 -6.385 -6.706 -4.353 1.00 0.00 H new ATOM 0 HA ILE A 59 -6.198 -6.383 -1.579 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.791 -8.786 -3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -8.650 -7.090 -1.650 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.325 -6.758 -3.340 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.713 -9.870 -1.334 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.963 -9.582 -1.184 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -7.116 -8.521 -0.338 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -10.409 -8.008 -3.077 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.206 -8.978 -3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.536 -9.315 -2.243 1.00 0.00 H new ATOM 859 N ALA A 60 -3.966 -8.440 -2.896 1.00 0.00 N ATOM 860 CA ALA A 60 -2.712 -9.137 -2.634 1.00 0.00 C ATOM 861 C ALA A 60 -1.636 -8.173 -2.150 1.00 0.00 C ATOM 862 O ALA A 60 -0.962 -8.431 -1.153 1.00 0.00 O ATOM 863 CB ALA A 60 -2.243 -9.869 -3.883 1.00 0.00 C ATOM 0 H ALA A 60 -4.315 -8.545 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 60 -2.891 -9.866 -1.844 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -1.306 -10.385 -3.672 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -2.998 -10.596 -4.184 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.089 -9.152 -4.689 1.00 0.00 H new ATOM 869 N LYS A 61 -1.481 -7.062 -2.861 1.00 0.00 N ATOM 870 CA LYS A 61 -0.430 -6.098 -2.557 1.00 0.00 C ATOM 871 C LYS A 61 -0.691 -5.400 -1.229 1.00 0.00 C ATOM 872 O LYS A 61 0.228 -5.189 -0.437 1.00 0.00 O ATOM 873 CB LYS A 61 -0.309 -5.066 -3.679 1.00 0.00 C ATOM 874 CG LYS A 61 0.857 -4.099 -3.522 1.00 0.00 C ATOM 875 CD LYS A 61 1.088 -3.299 -4.795 1.00 0.00 C ATOM 876 CE LYS A 61 -0.073 -2.356 -5.075 1.00 0.00 C ATOM 877 NZ LYS A 61 0.091 -1.640 -6.369 1.00 0.00 N1+ ATOM 0 H LYS A 61 -2.071 -6.806 -3.653 1.00 0.00 H new ATOM 0 HA LYS A 61 0.510 -6.644 -2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.205 -5.591 -4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.235 -4.494 -3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.659 -3.419 -2.694 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.761 -4.654 -3.270 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.011 -2.726 -4.704 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.217 -3.980 -5.636 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.005 -2.922 -5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.153 -1.630 -4.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.721 -1.008 -6.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.967 -1.079 -6.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.142 -2.331 -7.144 1.00 0.00 H new ATOM 891 N ARG A 62 -1.948 -5.042 -0.991 1.00 0.00 N ATOM 892 CA ARG A 62 -2.330 -4.358 0.239 1.00 0.00 C ATOM 893 C ARG A 62 -2.099 -5.243 1.456 1.00 0.00 C ATOM 894 O ARG A 62 -1.647 -4.774 2.501 1.00 0.00 O ATOM 895 CB ARG A 62 -3.793 -3.942 0.187 1.00 0.00 C ATOM 896 CG ARG A 62 -4.089 -2.754 -0.714 1.00 0.00 C ATOM 897 CD ARG A 62 -5.549 -2.548 -0.890 1.00 0.00 C ATOM 898 NE ARG A 62 -5.837 -1.485 -1.839 1.00 0.00 N ATOM 899 CZ ARG A 62 -7.068 -1.174 -2.289 1.00 0.00 C ATOM 900 NH1 ARG A 62 -8.113 -1.852 -1.868 1.00 0.00 N1+ ATOM 901 NH2 ARG A 62 -7.225 -0.187 -3.154 1.00 0.00 N ATOM 0 H ARG A 62 -2.720 -5.214 -1.634 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.704 -3.470 0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.386 -4.792 -0.151 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.124 -3.704 1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.643 -1.855 -0.289 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -3.624 -2.911 -1.687 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.007 -3.475 -1.234 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.000 -2.307 0.073 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.052 -0.936 -2.189 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.992 -2.614 -1.200 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.045 -1.616 -2.209 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.414 0.339 -3.481 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -8.157 0.049 -3.495 1.00 0.00 H new ATOM 915 N LEU A 63 -2.412 -6.527 1.316 1.00 0.00 N ATOM 916 CA LEU A 63 -2.195 -7.490 2.389 1.00 0.00 C ATOM 917 C LEU A 63 -0.713 -7.628 2.714 1.00 0.00 C ATOM 918 O LEU A 63 -0.318 -7.598 3.879 1.00 0.00 O ATOM 919 CB LEU A 63 -2.769 -8.858 1.997 1.00 0.00 C ATOM 920 CG LEU A 63 -4.299 -8.965 2.005 1.00 0.00 C ATOM 921 CD1 LEU A 63 -4.718 -10.301 1.407 1.00 0.00 C ATOM 922 CD2 LEU A 63 -4.810 -8.819 3.431 1.00 0.00 C ATOM 0 H LEU A 63 -2.817 -6.925 0.469 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.709 -7.123 3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.411 -9.109 0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.367 -9.609 2.678 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.732 -8.168 1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.805 -10.377 1.413 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.355 -10.371 0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.294 -11.113 1.998 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.897 -8.895 3.437 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.387 -9.609 4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.512 -7.848 3.827 1.00 0.00 H new ATOM 934 N ALA A 64 0.103 -7.779 1.676 1.00 0.00 N ATOM 935 CA ALA A 64 1.549 -7.866 1.845 1.00 0.00 C ATOM 936 C ALA A 64 2.097 -6.629 2.545 1.00 0.00 C ATOM 937 O ALA A 64 2.935 -6.730 3.440 1.00 0.00 O ATOM 938 CB ALA A 64 2.229 -8.056 0.497 1.00 0.00 C ATOM 0 H ALA A 64 -0.213 -7.844 0.708 1.00 0.00 H new ATOM 0 HA ALA A 64 1.763 -8.731 2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.308 -8.119 0.639 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.870 -8.975 0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.997 -7.210 -0.150 1.00 0.00 H new ATOM 944 N ALA A 65 1.617 -5.460 2.132 1.00 0.00 N ATOM 945 CA ALA A 65 2.028 -4.203 2.746 1.00 0.00 C ATOM 946 C ALA A 65 1.684 -4.177 4.230 1.00 0.00 C ATOM 947 O ALA A 65 2.518 -3.826 5.064 1.00 0.00 O ATOM 948 CB ALA A 65 1.378 -3.027 2.031 1.00 0.00 C ATOM 0 H ALA A 65 0.942 -5.358 1.374 1.00 0.00 H new ATOM 0 HA ALA A 65 3.110 -4.119 2.650 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.694 -2.096 2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.680 -3.026 0.984 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.294 -3.116 2.096 1.00 0.00 H new ATOM 954 N HIS A 66 0.451 -4.551 4.553 1.00 0.00 N ATOM 955 CA HIS A 66 -0.006 -4.572 5.937 1.00 0.00 C ATOM 956 C HIS A 66 0.838 -5.519 6.781 1.00 0.00 C ATOM 957 O HIS A 66 1.181 -5.210 7.922 1.00 0.00 O ATOM 958 CB HIS A 66 -1.479 -4.985 6.015 1.00 0.00 C ATOM 959 CG HIS A 66 -2.027 -5.000 7.409 1.00 0.00 C ATOM 960 ND1 HIS A 66 -2.230 -3.849 8.140 1.00 0.00 N ATOM 961 CD2 HIS A 66 -2.411 -6.025 8.205 1.00 0.00 C ATOM 962 CE1 HIS A 66 -2.719 -4.166 9.327 1.00 0.00 C ATOM 963 NE2 HIS A 66 -2.837 -5.479 9.391 1.00 0.00 N ATOM 0 H HIS A 66 -0.251 -4.844 3.874 1.00 0.00 H new ATOM 0 HA HIS A 66 0.102 -3.563 6.334 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.072 -4.300 5.408 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.593 -5.977 5.579 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.387 -7.075 7.955 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -2.978 -3.469 10.111 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.188 -6.004 10.192 1.00 0.00 H new ATOM 970 N ARG A 67 1.170 -6.673 6.212 1.00 0.00 N ATOM 971 CA ARG A 67 2.014 -7.648 6.894 1.00 0.00 C ATOM 972 C ARG A 67 3.378 -7.057 7.228 1.00 0.00 C ATOM 973 O ARG A 67 3.860 -7.183 8.354 1.00 0.00 O ATOM 974 CB ARG A 67 2.200 -8.889 6.034 1.00 0.00 C ATOM 975 CG ARG A 67 0.981 -9.795 5.947 1.00 0.00 C ATOM 976 CD ARG A 67 1.233 -10.972 5.076 1.00 0.00 C ATOM 977 NE ARG A 67 2.255 -11.846 5.629 1.00 0.00 N ATOM 978 CZ ARG A 67 2.025 -12.813 6.538 1.00 0.00 C ATOM 979 NH1 ARG A 67 0.805 -13.017 6.986 1.00 0.00 N1+ ATOM 980 NH2 ARG A 67 3.024 -13.557 6.980 1.00 0.00 N ATOM 0 H ARG A 67 0.867 -6.956 5.280 1.00 0.00 H new ATOM 0 HA ARG A 67 1.513 -7.922 7.822 1.00 0.00 H new ATOM 0 HB2 ARG A 67 2.476 -8.577 5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 67 3.036 -9.466 6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.707 -10.134 6.946 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.134 -9.229 5.559 1.00 0.00 H new ATOM 0 HD2 ARG A 67 0.307 -11.533 4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.542 -10.633 4.087 1.00 0.00 H new ATOM 0 HE ARG A 67 3.214 -11.718 5.306 1.00 0.00 H new ATOM 0 HH11 ARG A 67 0.034 -12.443 6.645 1.00 0.00 H new ATOM 0 HH12 ARG A 67 0.630 -13.749 7.674 1.00 0.00 H new ATOM 0 HH21 ARG A 67 3.970 -13.399 6.633 1.00 0.00 H new ATOM 0 HH22 ARG A 67 2.849 -14.289 7.668 1.00 0.00 H new ATOM 994 N MET A 68 3.996 -6.413 6.244 1.00 0.00 N ATOM 995 CA MET A 68 5.271 -5.737 6.453 1.00 0.00 C ATOM 996 C MET A 68 5.164 -4.687 7.551 1.00 0.00 C ATOM 997 O MET A 68 6.045 -4.574 8.403 1.00 0.00 O ATOM 998 CB MET A 68 5.749 -5.100 5.150 1.00 0.00 C ATOM 999 CG MET A 68 6.183 -6.096 4.084 1.00 0.00 C ATOM 1000 SD MET A 68 7.057 -5.312 2.714 1.00 0.00 S ATOM 1001 CE MET A 68 5.835 -4.120 2.172 1.00 0.00 C ATOM 0 H MET A 68 3.634 -6.345 5.293 1.00 0.00 H new ATOM 0 HA MET A 68 6.001 -6.481 6.772 1.00 0.00 H new ATOM 0 HB2 MET A 68 4.947 -4.482 4.747 1.00 0.00 H new ATOM 0 HB3 MET A 68 6.584 -4.435 5.370 1.00 0.00 H new ATOM 0 HG2 MET A 68 6.827 -6.849 4.537 1.00 0.00 H new ATOM 0 HG3 MET A 68 5.306 -6.616 3.700 1.00 0.00 H new ATOM 0 HE1 MET A 68 6.221 -3.567 1.316 1.00 0.00 H new ATOM 0 HE2 MET A 68 4.921 -4.640 1.886 1.00 0.00 H new ATOM 0 HE3 MET A 68 5.618 -3.426 2.984 1.00 0.00 H new ATOM 1011 N TRP A 69 4.080 -3.919 7.525 1.00 0.00 N ATOM 1012 CA TRP A 69 3.833 -2.907 8.545 1.00 0.00 C ATOM 1013 C TRP A 69 3.784 -3.527 9.936 1.00 0.00 C ATOM 1014 O TRP A 69 4.342 -2.983 10.889 1.00 0.00 O ATOM 1015 CB TRP A 69 2.520 -2.174 8.263 1.00 0.00 C ATOM 1016 CG TRP A 69 2.161 -1.165 9.311 1.00 0.00 C ATOM 1017 CD1 TRP A 69 2.629 0.111 9.409 1.00 0.00 C ATOM 1018 CD2 TRP A 69 1.249 -1.344 10.422 1.00 0.00 C ATOM 1019 NE1 TRP A 69 2.076 0.736 10.499 1.00 0.00 N ATOM 1020 CE2 TRP A 69 1.228 -0.139 11.130 1.00 0.00 C ATOM 1021 CE3 TRP A 69 0.460 -2.413 10.865 1.00 0.00 C ATOM 1022 CZ2 TRP A 69 0.449 0.032 12.263 1.00 0.00 C ATOM 1023 CZ3 TRP A 69 -0.322 -2.241 12.001 1.00 0.00 C ATOM 1024 CH2 TRP A 69 -0.327 -1.049 12.681 1.00 0.00 C ATOM 0 H TRP A 69 3.358 -3.978 6.807 1.00 0.00 H new ATOM 0 HA TRP A 69 4.658 -2.195 8.512 1.00 0.00 H new ATOM 0 HB2 TRP A 69 2.593 -1.673 7.298 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.715 -2.905 8.183 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.333 0.565 8.728 1.00 0.00 H new ATOM 0 HE1 TRP A 69 2.265 1.695 10.792 1.00 0.00 H new ATOM 0 HE3 TRP A 69 0.459 -3.353 10.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 0.443 0.968 12.802 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.935 -3.057 12.354 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -0.946 -0.946 13.560 1.00 0.00 H new ATOM 1035 N MET A 70 3.113 -4.669 10.045 1.00 0.00 N ATOM 1036 CA MET A 70 3.051 -5.403 11.304 1.00 0.00 C ATOM 1037 C MET A 70 4.441 -5.808 11.775 1.00 0.00 C ATOM 1038 O MET A 70 4.768 -5.684 12.955 1.00 0.00 O ATOM 1039 CB MET A 70 2.159 -6.634 11.153 1.00 0.00 C ATOM 1040 CG MET A 70 0.677 -6.323 10.998 1.00 0.00 C ATOM 1041 SD MET A 70 -0.308 -7.793 10.647 1.00 0.00 S ATOM 1042 CE MET A 70 -0.187 -8.662 12.208 1.00 0.00 C ATOM 0 H MET A 70 2.604 -5.106 9.277 1.00 0.00 H new ATOM 0 HA MET A 70 2.621 -4.745 12.059 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.491 -7.203 10.285 1.00 0.00 H new ATOM 0 HB3 MET A 70 2.294 -7.274 12.025 1.00 0.00 H new ATOM 0 HG2 MET A 70 0.311 -5.854 11.911 1.00 0.00 H new ATOM 0 HG3 MET A 70 0.544 -5.600 10.193 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.909 -9.478 12.227 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.819 -9.065 12.323 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.397 -7.972 13.026 1.00 0.00 H new ATOM 1052 N ARG A 71 5.258 -6.292 10.845 1.00 0.00 N ATOM 1053 CA ARG A 71 6.634 -6.664 11.152 1.00 0.00 C ATOM 1054 C ARG A 71 7.437 -5.460 11.629 1.00 0.00 C ATOM 1055 O ARG A 71 8.278 -5.577 12.520 1.00 0.00 O ATOM 1056 CB ARG A 71 7.310 -7.269 9.931 1.00 0.00 C ATOM 1057 CG ARG A 71 6.729 -8.597 9.471 1.00 0.00 C ATOM 1058 CD ARG A 71 6.815 -9.632 10.533 1.00 0.00 C ATOM 1059 NE ARG A 71 6.378 -10.934 10.058 1.00 0.00 N ATOM 1060 CZ ARG A 71 6.121 -11.992 10.852 1.00 0.00 C ATOM 1061 NH1 ARG A 71 6.262 -11.885 12.155 1.00 0.00 N1+ ATOM 1062 NH2 ARG A 71 5.728 -13.137 10.322 1.00 0.00 N ATOM 0 H ARG A 71 4.990 -6.436 9.871 1.00 0.00 H new ATOM 0 HA ARG A 71 6.602 -7.404 11.952 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.247 -6.557 9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.368 -7.409 10.151 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.687 -8.458 9.182 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.263 -8.940 8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.843 -9.702 10.889 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.203 -9.331 11.383 1.00 0.00 H new ATOM 0 HE ARG A 71 6.257 -11.056 9.053 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.566 -11.001 12.564 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.068 -12.686 12.756 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.619 -13.220 9.311 1.00 0.00 H new ATOM 0 HH22 ARG A 71 5.534 -13.937 10.924 1.00 0.00 H new ATOM 1076 N LEU A 72 7.171 -4.304 11.031 1.00 0.00 N ATOM 1077 CA LEU A 72 7.821 -3.064 11.438 1.00 0.00 C ATOM 1078 C LEU A 72 7.426 -2.676 12.858 1.00 0.00 C ATOM 1079 O LEU A 72 8.261 -2.227 13.643 1.00 0.00 O ATOM 1080 CB LEU A 72 7.454 -1.931 10.472 1.00 0.00 C ATOM 1081 CG LEU A 72 8.076 -2.023 9.073 1.00 0.00 C ATOM 1082 CD1 LEU A 72 7.456 -0.965 8.170 1.00 0.00 C ATOM 1083 CD2 LEU A 72 9.583 -1.840 9.174 1.00 0.00 C ATOM 0 H LEU A 72 6.509 -4.200 10.262 1.00 0.00 H new ATOM 0 HA LEU A 72 8.898 -3.227 11.412 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.369 -1.905 10.366 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.753 -0.984 10.921 1.00 0.00 H new ATOM 0 HG LEU A 72 7.877 -3.004 8.641 1.00 0.00 H new ATOM 0 HD11 LEU A 72 7.898 -1.031 7.176 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.381 -1.131 8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.645 0.025 8.586 1.00 0.00 H new ATOM 0 HD21 LEU A 72 10.025 -1.905 8.180 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.803 -0.863 9.605 1.00 0.00 H new ATOM 0 HD23 LEU A 72 10.002 -2.620 9.809 1.00 0.00 H new ATOM 1095 N GLN A 73 6.149 -2.852 13.181 1.00 0.00 N ATOM 1096 CA GLN A 73 5.655 -2.580 14.525 1.00 0.00 C ATOM 1097 C GLN A 73 6.148 -3.626 15.516 1.00 0.00 C ATOM 1098 O GLN A 73 6.331 -3.337 16.699 1.00 0.00 O ATOM 1099 CB GLN A 73 4.124 -2.532 14.534 1.00 0.00 C ATOM 1100 CG GLN A 73 3.533 -1.378 13.742 1.00 0.00 C ATOM 1101 CD GLN A 73 3.982 -0.027 14.266 1.00 0.00 C ATOM 1102 OE1 GLN A 73 3.976 0.219 15.475 1.00 0.00 O ATOM 1103 NE2 GLN A 73 4.375 0.858 13.357 1.00 0.00 N ATOM 0 H GLN A 73 5.437 -3.182 12.529 1.00 0.00 H new ATOM 0 HA GLN A 73 6.043 -1.609 14.831 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.740 -3.469 14.131 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.780 -2.464 15.566 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.823 -1.473 12.695 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.445 -1.435 13.778 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.364 0.612 12.367 1.00 0.00 H new ATOM 0 HE22 GLN A 73 4.688 1.784 13.649 1.00 0.00 H new ATOM 1112 N GLU A 74 6.363 -4.842 15.027 1.00 0.00 N ATOM 1113 CA GLU A 74 6.848 -5.931 15.866 1.00 0.00 C ATOM 1114 C GLU A 74 8.255 -5.647 16.378 1.00 0.00 C ATOM 1115 O GLU A 74 8.428 -5.594 17.361 1.00 0.00 O ATOM 1116 CB GLU A 74 6.834 -7.250 15.090 1.00 0.00 C ATOM 1117 CG GLU A 74 7.227 -8.468 15.913 1.00 0.00 C ATOM 1118 CD GLU A 74 7.166 -9.749 15.129 1.00 0.00 C ATOM 1119 OE1 GLU A 74 6.824 -9.699 13.972 1.00 0.00 O ATOM 1120 OE2 GLU A 74 7.463 -10.779 15.687 1.00 0.00 O1- ATOM 1121 OXT GLU A 74 9.155 -5.486 15.601 1.00 0.00 O1- ATOM 0 H GLU A 74 6.209 -5.099 14.052 1.00 0.00 H new ATOM 0 HA GLU A 74 6.180 -6.013 16.724 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.835 -7.408 14.684 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.513 -7.165 14.242 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.238 -8.330 16.296 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.567 -8.545 16.777 1.00 0.00 H new TER 1128 GLU A 74