USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 903 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 15 CYS SG : rot 140:sc= -0.351 USER MOD Set 1.2: B 19 MET CE :methyl -173:sc= -0.0677 (180deg=-0.196) USER MOD Set 2.1: A 15 CYS SG : rot 11:sc= 0.195 USER MOD Set 2.2: A 19 MET CE :methyl -173:sc= -0.232 (180deg=-0.445) USER MOD Single : A 6 ASN :FLIP amide:sc=-0.00375 F(o=-0.86,f=-0.0037) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -145:sc= -0.349 (180deg=-1.38!) USER MOD Single : A 21 GLN : amide:sc= -0.305 K(o=-0.31,f=-1.8) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -84:sc= 0.443 USER MOD Single : A 30 ASN : amide:sc=-0.00122 X(o=-0.0012,f=-0.0081) USER MOD Single : A 34 LYS NZ :NH3+ 166:sc= -0.0589 (180deg=-0.276) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -3.37! C(o=-3.4!,f=-8.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -7.16! C(o=-7.2!,f=-9.3!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.349 F(o=-4.1!,f=-0.35) USER MOD Single : B 6 ASN : amide:sc= 1.16 K(o=1.2,f=-0.03) USER MOD Single : B 9 LYS NZ :NH3+ -171:sc=-0.00409 (180deg=-0.0969) USER MOD Single : B 20 LYS NZ :NH3+ 141:sc= -0.331 (180deg=-3.33!) USER MOD Single : B 21 GLN :FLIP amide:sc= -1.55 F(o=-2.3,f=-1.5) USER MOD Single : B 25 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 SER OG : rot -80:sc= -0.0566 USER MOD Single : B 30 ASN : amide:sc= -0.111 K(o=-0.11,f=-2.1) USER MOD Single : B 34 LYS NZ :NH3+ -113:sc= 0.14 (180deg=-0.392) USER MOD Single : B 35 LYS NZ :NH3+ 142:sc= 1.29 (180deg=0.045) USER MOD Single : B 39 GLN : amide:sc= -2.25 K(o=-2.3,f=-7.6!) USER MOD Single : B 44 THR OG1 : rot 74:sc= 1.18 USER MOD Single : B 45 HIS : no HD1:sc= -9.17! C(o=-9.2!,f=-8.9!) USER MOD Single : B 54 ASN : amide:sc= 0.0895 X(o=0.089,f=0) USER MOD Single : B 57 GLN :FLIP amide:sc= -0.572 F(o=-4.4!,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 -7.959 -7.232 6.709 1.00 0.00 N ATOM 57 CA VAL A 5 -8.348 -6.056 5.999 1.00 0.00 C ATOM 58 C VAL A 5 -7.367 -4.970 6.390 1.00 0.00 C ATOM 59 O VAL A 5 -7.491 -4.357 7.459 1.00 0.00 O ATOM 60 CB VAL A 5 -9.801 -5.570 6.320 1.00 0.00 C ATOM 61 CG1 VAL A 5 -10.135 -4.335 5.497 1.00 0.00 C ATOM 62 CG2 VAL A 5 -10.833 -6.658 6.062 1.00 0.00 C ATOM 0 HA VAL A 5 -8.339 -6.282 4.933 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.836 -5.322 7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.148 -4.006 5.729 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.431 -3.538 5.736 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -10.065 -4.575 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.828 -6.279 6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -10.796 -6.953 5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.616 -7.522 6.690 1.00 0.00 H new ATOM 72 N ASN A 6 -6.365 -4.788 5.586 1.00 0.00 N ATOM 73 CA ASN A 6 -5.361 -3.787 5.861 1.00 0.00 C ATOM 74 C ASN A 6 -5.477 -2.667 4.873 1.00 0.00 C ATOM 75 O ASN A 6 -5.102 -2.803 3.707 1.00 0.00 O ATOM 76 CB ASN A 6 -3.916 -4.333 5.849 1.00 0.00 C ATOM 77 CG ASN A 6 -3.562 -5.333 6.952 1.00 0.00 C ATOM 78 OD1 ASN A 6 -4.219 -5.259 8.060 1.00 0.00 O flip ATOM 79 ND2 ASN A 6 -2.677 -6.159 6.794 1.00 0.00 N flip ATOM 0 H ASN A 6 -6.214 -5.319 4.728 1.00 0.00 H new ATOM 0 HA ASN A 6 -5.553 -3.434 6.874 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -3.738 -4.809 4.885 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -3.230 -3.489 5.919 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.170 -6.200 5.910 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -2.445 -6.808 7.546 1.00 0.00 H new ATOM 86 N VAL A 7 -6.044 -1.594 5.304 1.00 0.00 N ATOM 87 CA VAL A 7 -6.179 -0.431 4.466 1.00 0.00 C ATOM 88 C VAL A 7 -5.256 0.615 5.031 1.00 0.00 C ATOM 89 O VAL A 7 -5.280 0.882 6.232 1.00 0.00 O ATOM 90 CB VAL A 7 -7.646 0.090 4.389 1.00 0.00 C ATOM 91 CG1 VAL A 7 -7.794 1.258 3.431 1.00 0.00 C ATOM 92 CG2 VAL A 7 -8.602 -1.026 4.032 1.00 0.00 C ATOM 0 H VAL A 7 -6.429 -1.488 6.242 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.914 -0.682 3.439 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.903 0.458 5.382 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -8.834 1.584 3.413 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.161 2.082 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.494 0.948 2.430 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -9.618 -0.634 3.985 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -8.329 -1.443 3.063 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -8.549 -1.807 4.791 1.00 0.00 H new ATOM 102 N LEU A 8 -4.462 1.195 4.201 1.00 0.00 N ATOM 103 CA LEU A 8 -3.373 1.977 4.676 1.00 0.00 C ATOM 104 C LEU A 8 -3.091 3.140 3.721 1.00 0.00 C ATOM 105 O LEU A 8 -3.462 3.080 2.569 1.00 0.00 O ATOM 106 CB LEU A 8 -2.230 1.003 4.734 1.00 0.00 C ATOM 107 CG LEU A 8 -0.987 1.395 5.435 1.00 0.00 C ATOM 108 CD1 LEU A 8 -1.278 1.753 6.883 1.00 0.00 C ATOM 109 CD2 LEU A 8 -0.067 0.234 5.377 1.00 0.00 C ATOM 0 H LEU A 8 -4.546 1.143 3.186 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.562 2.439 5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.599 0.091 5.203 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.963 0.748 3.708 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.544 2.271 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.351 2.038 7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.980 2.586 6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.712 0.892 7.391 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.865 0.483 5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.530 -0.622 5.868 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.142 -0.013 4.336 1.00 0.00 H new ATOM 121 N LYS A 9 -2.471 4.196 4.207 1.00 0.00 N ATOM 122 CA LYS A 9 -2.235 5.383 3.396 1.00 0.00 C ATOM 123 C LYS A 9 -0.730 5.665 3.258 1.00 0.00 C ATOM 124 O LYS A 9 -0.005 5.644 4.244 1.00 0.00 O ATOM 125 CB LYS A 9 -3.013 6.550 4.029 1.00 0.00 C ATOM 126 CG LYS A 9 -3.073 7.867 3.233 1.00 0.00 C ATOM 127 CD LYS A 9 -1.885 8.786 3.495 1.00 0.00 C ATOM 128 CE LYS A 9 -2.021 10.081 2.705 1.00 0.00 C ATOM 129 NZ LYS A 9 -1.009 11.083 3.098 1.00 0.00 N ATOM 0 H LYS A 9 -2.119 4.261 5.162 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.596 5.236 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -4.035 6.217 4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.571 6.763 5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.118 7.638 2.168 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.993 8.394 3.485 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.820 9.009 4.560 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.960 8.281 3.218 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.924 9.867 1.641 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.018 10.495 2.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -1.140 11.948 2.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.117 11.308 4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.057 10.700 2.929 1.00 0.00 H new ATOM 143 N GLY A 10 -0.276 5.894 2.029 1.00 0.00 N ATOM 144 CA GLY A 10 1.128 6.162 1.767 1.00 0.00 C ATOM 145 C GLY A 10 1.527 5.762 0.345 1.00 0.00 C ATOM 146 O GLY A 10 0.824 6.106 -0.619 1.00 0.00 O ATOM 0 H GLY A 10 -0.866 5.898 1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.330 7.223 1.916 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.742 5.617 2.484 1.00 0.00 H new ATOM 150 N VAL A 11 2.637 5.049 0.215 1.00 0.00 N ATOM 151 CA VAL A 11 3.150 4.598 -1.073 1.00 0.00 C ATOM 152 C VAL A 11 3.217 3.071 -1.161 1.00 0.00 C ATOM 153 O VAL A 11 3.669 2.376 -0.241 1.00 0.00 O ATOM 154 CB VAL A 11 4.551 5.234 -1.414 1.00 0.00 C ATOM 155 CG1 VAL A 11 5.215 4.558 -2.609 1.00 0.00 C ATOM 156 CG2 VAL A 11 4.382 6.690 -1.738 1.00 0.00 C ATOM 0 H VAL A 11 3.213 4.764 1.007 1.00 0.00 H new ATOM 0 HA VAL A 11 2.438 4.947 -1.821 1.00 0.00 H new ATOM 0 HB VAL A 11 5.185 5.096 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.177 5.030 -2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.367 3.501 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 11 4.575 4.659 -3.486 1.00 0.00 H new ATOM 0 HG21 VAL A 11 5.353 7.126 -1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 11 3.719 6.797 -2.596 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.951 7.206 -0.880 1.00 0.00 H new ATOM 166 N LEU A 12 2.753 2.600 -2.269 1.00 0.00 N ATOM 167 CA LEU A 12 2.732 1.225 -2.660 1.00 0.00 C ATOM 168 C LEU A 12 3.944 0.953 -3.549 1.00 0.00 C ATOM 169 O LEU A 12 4.174 1.681 -4.506 1.00 0.00 O ATOM 170 CB LEU A 12 1.452 1.010 -3.479 1.00 0.00 C ATOM 171 CG LEU A 12 1.403 -0.220 -4.368 1.00 0.00 C ATOM 172 CD1 LEU A 12 1.414 -1.495 -3.555 1.00 0.00 C ATOM 173 CD2 LEU A 12 0.202 -0.165 -5.282 1.00 0.00 C ATOM 0 H LEU A 12 2.348 3.209 -2.980 1.00 0.00 H new ATOM 0 HA LEU A 12 2.759 0.563 -1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.611 0.962 -2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.299 1.888 -4.106 1.00 0.00 H new ATOM 0 HG LEU A 12 2.302 -0.224 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.378 -2.354 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.325 -1.538 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.547 -1.513 -2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.183 -1.054 -5.912 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.709 -0.124 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.264 0.723 -5.911 1.00 0.00 H new ATOM 185 N ILE A 13 4.706 -0.065 -3.234 1.00 0.00 N ATOM 186 CA ILE A 13 5.862 -0.429 -4.033 1.00 0.00 C ATOM 187 C ILE A 13 5.668 -1.801 -4.652 1.00 0.00 C ATOM 188 O ILE A 13 5.090 -2.698 -4.024 1.00 0.00 O ATOM 189 CB ILE A 13 7.161 -0.561 -3.173 1.00 0.00 C ATOM 190 CG1 ILE A 13 7.490 0.672 -2.374 1.00 0.00 C ATOM 191 CG2 ILE A 13 8.368 -0.937 -4.028 1.00 0.00 C ATOM 192 CD1 ILE A 13 7.707 1.926 -3.189 1.00 0.00 C ATOM 0 H ILE A 13 4.549 -0.664 -2.424 1.00 0.00 H new ATOM 0 HA ILE A 13 5.962 0.362 -4.776 1.00 0.00 H new ATOM 0 HB ILE A 13 6.943 -1.362 -2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.682 0.853 -1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 13 8.389 0.478 -1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.251 -1.019 -3.395 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.183 -1.893 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 13 8.533 -0.168 -4.783 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.938 2.757 -2.523 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.537 1.772 -3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.803 2.154 -3.754 1.00 0.00 H new ATOM 204 N GLU A 14 6.091 -1.937 -5.875 1.00 0.00 N ATOM 205 CA GLU A 14 6.337 -3.216 -6.449 1.00 0.00 C ATOM 206 C GLU A 14 7.657 -3.144 -7.118 1.00 0.00 C ATOM 207 O GLU A 14 7.885 -2.279 -7.952 1.00 0.00 O ATOM 208 CB GLU A 14 5.268 -3.652 -7.448 1.00 0.00 C ATOM 209 CG GLU A 14 5.544 -5.001 -8.140 1.00 0.00 C ATOM 210 CD GLU A 14 4.364 -5.528 -8.944 1.00 0.00 C ATOM 211 OE1 GLU A 14 3.927 -4.873 -9.910 1.00 0.00 O ATOM 212 OE2 GLU A 14 3.802 -6.598 -8.560 1.00 0.00 O ATOM 0 H GLU A 14 6.275 -1.154 -6.502 1.00 0.00 H new ATOM 0 HA GLU A 14 6.317 -3.963 -5.656 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.311 -3.714 -6.931 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.168 -2.881 -8.212 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.403 -4.891 -8.802 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.816 -5.738 -7.384 1.00 0.00 H new ATOM 219 N CYS A 15 8.523 -3.953 -6.671 1.00 0.00 N ATOM 220 CA CYS A 15 9.785 -4.189 -7.296 1.00 0.00 C ATOM 221 C CYS A 15 10.010 -5.665 -7.288 1.00 0.00 C ATOM 222 O CYS A 15 9.073 -6.429 -7.052 1.00 0.00 O ATOM 223 CB CYS A 15 10.895 -3.487 -6.524 1.00 0.00 C ATOM 224 SG CYS A 15 10.784 -1.700 -6.607 1.00 0.00 S ATOM 0 H CYS A 15 8.382 -4.502 -5.823 1.00 0.00 H new ATOM 0 HA CYS A 15 9.790 -3.800 -8.314 1.00 0.00 H new ATOM 0 HB2 CYS A 15 10.858 -3.800 -5.480 1.00 0.00 H new ATOM 0 HB3 CYS A 15 11.861 -3.804 -6.918 1.00 0.00 H new ATOM 0 HG CYS A 15 9.642 -1.360 -7.126 1.00 0.00 H new ATOM 230 N ASP A 16 11.210 -6.074 -7.575 1.00 0.00 N ATOM 231 CA ASP A 16 11.572 -7.467 -7.454 1.00 0.00 C ATOM 232 C ASP A 16 11.503 -7.825 -5.973 1.00 0.00 C ATOM 233 O ASP A 16 11.817 -6.969 -5.120 1.00 0.00 O ATOM 234 CB ASP A 16 13.000 -7.718 -7.973 1.00 0.00 C ATOM 235 CG ASP A 16 13.198 -7.285 -9.400 1.00 0.00 C ATOM 236 OD1 ASP A 16 12.967 -8.081 -10.337 1.00 0.00 O ATOM 237 OD2 ASP A 16 13.592 -6.133 -9.625 1.00 0.00 O ATOM 0 H ASP A 16 11.962 -5.465 -7.896 1.00 0.00 H new ATOM 0 HA ASP A 16 10.891 -8.078 -8.047 1.00 0.00 H new ATOM 0 HB2 ASP A 16 13.709 -7.187 -7.338 1.00 0.00 H new ATOM 0 HB3 ASP A 16 13.229 -8.780 -7.888 1.00 0.00 H new ATOM 242 N PRO A 17 11.120 -9.077 -5.620 1.00 0.00 N ATOM 243 CA PRO A 17 10.996 -9.536 -4.202 1.00 0.00 C ATOM 244 C PRO A 17 12.315 -9.400 -3.425 1.00 0.00 C ATOM 245 O PRO A 17 12.354 -9.493 -2.198 1.00 0.00 O ATOM 246 CB PRO A 17 10.579 -10.999 -4.355 1.00 0.00 C ATOM 247 CG PRO A 17 9.905 -11.025 -5.675 1.00 0.00 C ATOM 248 CD PRO A 17 10.743 -10.154 -6.548 1.00 0.00 C ATOM 0 HA PRO A 17 10.287 -8.941 -3.627 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.440 -11.667 -4.330 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.908 -11.312 -3.555 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.846 -12.040 -6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.884 -10.650 -5.605 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.613 -10.682 -6.938 1.00 0.00 H new ATOM 0 HD3 PRO A 17 10.187 -9.778 -7.407 1.00 0.00 H new ATOM 256 N ALA A 18 13.370 -9.139 -4.175 1.00 0.00 N ATOM 257 CA ALA A 18 14.693 -8.816 -3.687 1.00 0.00 C ATOM 258 C ALA A 18 14.613 -7.665 -2.685 1.00 0.00 C ATOM 259 O ALA A 18 15.358 -7.631 -1.669 1.00 0.00 O ATOM 260 CB ALA A 18 15.506 -8.367 -4.871 1.00 0.00 C ATOM 0 H ALA A 18 13.322 -9.148 -5.194 1.00 0.00 H new ATOM 0 HA ALA A 18 15.139 -9.682 -3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.515 -8.113 -4.545 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.554 -9.171 -5.605 1.00 0.00 H new ATOM 0 HB3 ALA A 18 15.039 -7.491 -5.322 1.00 0.00 H new ATOM 266 N MET A 19 13.676 -6.731 -2.952 1.00 0.00 N ATOM 267 CA MET A 19 13.480 -5.589 -2.096 1.00 0.00 C ATOM 268 C MET A 19 13.088 -6.012 -0.744 1.00 0.00 C ATOM 269 O MET A 19 13.657 -5.545 0.203 1.00 0.00 O ATOM 270 CB MET A 19 12.433 -4.596 -2.625 1.00 0.00 C ATOM 271 CG MET A 19 11.990 -3.585 -1.542 1.00 0.00 C ATOM 272 SD MET A 19 10.895 -2.296 -2.143 1.00 0.00 S ATOM 273 CE MET A 19 11.997 -1.392 -3.238 1.00 0.00 C ATOM 0 H MET A 19 13.053 -6.764 -3.759 1.00 0.00 H new ATOM 0 HA MET A 19 14.441 -5.075 -2.074 1.00 0.00 H new ATOM 0 HB2 MET A 19 12.845 -4.056 -3.478 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.563 -5.145 -2.985 1.00 0.00 H new ATOM 0 HG2 MET A 19 11.490 -4.126 -0.739 1.00 0.00 H new ATOM 0 HG3 MET A 19 12.876 -3.121 -1.110 1.00 0.00 H new ATOM 0 HE1 MET A 19 11.499 -0.489 -3.591 1.00 0.00 H new ATOM 0 HE2 MET A 19 12.903 -1.119 -2.698 1.00 0.00 H new ATOM 0 HE3 MET A 19 12.258 -2.019 -4.090 1.00 0.00 H new ATOM 283 N LYS A 20 12.208 -6.990 -0.673 1.00 0.00 N ATOM 284 CA LYS A 20 11.621 -7.421 0.571 1.00 0.00 C ATOM 285 C LYS A 20 12.664 -7.798 1.570 1.00 0.00 C ATOM 286 O LYS A 20 12.592 -7.419 2.724 1.00 0.00 O ATOM 287 CB LYS A 20 10.749 -8.648 0.348 1.00 0.00 C ATOM 288 CG LYS A 20 9.261 -8.429 0.458 1.00 0.00 C ATOM 289 CD LYS A 20 8.868 -7.813 1.796 1.00 0.00 C ATOM 290 CE LYS A 20 9.534 -8.468 3.001 1.00 0.00 C ATOM 291 NZ LYS A 20 9.067 -7.866 4.269 1.00 0.00 N ATOM 0 H LYS A 20 11.880 -7.510 -1.487 1.00 0.00 H new ATOM 0 HA LYS A 20 11.033 -6.583 0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 20 10.965 -9.048 -0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 20 11.038 -9.411 1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 20 8.930 -7.778 -0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.745 -9.381 0.332 1.00 0.00 H new ATOM 0 HD2 LYS A 20 9.123 -6.753 1.785 1.00 0.00 H new ATOM 0 HD3 LYS A 20 7.786 -7.880 1.911 1.00 0.00 H new ATOM 0 HE2 LYS A 20 9.318 -9.536 3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 20 10.616 -8.362 2.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.850 -7.846 4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.738 -6.896 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.285 -8.432 4.655 1.00 0.00 H new ATOM 305 N GLN A 21 13.612 -8.511 1.114 1.00 0.00 N ATOM 306 CA GLN A 21 14.631 -9.041 1.959 1.00 0.00 C ATOM 307 C GLN A 21 15.627 -7.977 2.432 1.00 0.00 C ATOM 308 O GLN A 21 15.951 -7.921 3.633 1.00 0.00 O ATOM 309 CB GLN A 21 15.265 -10.233 1.295 1.00 0.00 C ATOM 310 CG GLN A 21 14.202 -11.243 0.841 1.00 0.00 C ATOM 311 CD GLN A 21 13.292 -11.722 1.965 1.00 0.00 C ATOM 312 OE1 GLN A 21 13.692 -11.801 3.126 1.00 0.00 O ATOM 313 NE2 GLN A 21 12.064 -12.026 1.628 1.00 0.00 N ATOM 0 H GLN A 21 13.716 -8.754 0.129 1.00 0.00 H new ATOM 0 HA GLN A 21 14.175 -9.391 2.885 1.00 0.00 H new ATOM 0 HB2 GLN A 21 15.851 -9.906 0.436 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.956 -10.714 1.987 1.00 0.00 H new ATOM 0 HG2 GLN A 21 13.592 -10.789 0.060 1.00 0.00 H new ATOM 0 HG3 GLN A 21 14.699 -12.105 0.396 1.00 0.00 H new ATOM 0 HE21 GLN A 21 11.768 -11.948 0.655 1.00 0.00 H new ATOM 0 HE22 GLN A 21 11.403 -12.341 2.338 1.00 0.00 H new ATOM 322 N PHE A 22 16.077 -7.085 1.538 1.00 0.00 N ATOM 323 CA PHE A 22 16.950 -6.007 2.026 1.00 0.00 C ATOM 324 C PHE A 22 16.159 -5.082 2.942 1.00 0.00 C ATOM 325 O PHE A 22 16.667 -4.574 3.917 1.00 0.00 O ATOM 326 CB PHE A 22 17.768 -5.237 0.935 1.00 0.00 C ATOM 327 CG PHE A 22 17.030 -4.343 -0.044 1.00 0.00 C ATOM 328 CD1 PHE A 22 16.535 -3.104 0.353 1.00 0.00 C ATOM 329 CD2 PHE A 22 16.888 -4.715 -1.366 1.00 0.00 C ATOM 330 CE1 PHE A 22 15.903 -2.272 -0.547 1.00 0.00 C ATOM 331 CE2 PHE A 22 16.266 -3.878 -2.274 1.00 0.00 C ATOM 332 CZ PHE A 22 15.770 -2.658 -1.862 1.00 0.00 C ATOM 0 H PHE A 22 15.870 -7.081 0.539 1.00 0.00 H new ATOM 0 HA PHE A 22 17.739 -6.496 2.597 1.00 0.00 H new ATOM 0 HB2 PHE A 22 18.506 -4.622 1.450 1.00 0.00 H new ATOM 0 HB3 PHE A 22 18.319 -5.977 0.354 1.00 0.00 H new ATOM 0 HD1 PHE A 22 16.647 -2.790 1.380 1.00 0.00 H new ATOM 0 HD2 PHE A 22 17.267 -5.671 -1.695 1.00 0.00 H new ATOM 0 HE1 PHE A 22 15.513 -1.319 -0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 22 16.168 -4.179 -3.306 1.00 0.00 H new ATOM 0 HZ PHE A 22 15.278 -2.007 -2.570 1.00 0.00 H new ATOM 342 N LEU A 23 14.901 -4.921 2.603 1.00 0.00 N ATOM 343 CA LEU A 23 13.940 -4.148 3.318 1.00 0.00 C ATOM 344 C LEU A 23 13.705 -4.602 4.717 1.00 0.00 C ATOM 345 O LEU A 23 13.698 -3.787 5.598 1.00 0.00 O ATOM 346 CB LEU A 23 12.678 -4.155 2.517 1.00 0.00 C ATOM 347 CG LEU A 23 11.430 -3.718 3.174 1.00 0.00 C ATOM 348 CD1 LEU A 23 10.679 -2.949 2.170 1.00 0.00 C ATOM 349 CD2 LEU A 23 10.628 -4.937 3.595 1.00 0.00 C ATOM 0 H LEU A 23 14.508 -5.357 1.769 1.00 0.00 H new ATOM 0 HA LEU A 23 14.329 -3.137 3.435 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.834 -3.521 1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.523 -5.169 2.150 1.00 0.00 H new ATOM 0 HG LEU A 23 11.632 -3.117 4.061 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.742 -2.600 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 23 11.272 -2.092 1.850 1.00 0.00 H new ATOM 0 HD13 LEU A 23 10.465 -3.584 1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.706 -4.616 4.080 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.386 -5.535 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.215 -5.536 4.291 1.00 0.00 H new ATOM 361 N LEU A 24 13.494 -5.871 4.936 1.00 0.00 N ATOM 362 CA LEU A 24 13.271 -6.317 6.289 1.00 0.00 C ATOM 363 C LEU A 24 14.515 -6.180 7.157 1.00 0.00 C ATOM 364 O LEU A 24 14.422 -5.879 8.358 1.00 0.00 O ATOM 365 CB LEU A 24 12.543 -7.662 6.370 1.00 0.00 C ATOM 366 CG LEU A 24 12.948 -8.734 5.382 1.00 0.00 C ATOM 367 CD1 LEU A 24 14.204 -9.420 5.740 1.00 0.00 C ATOM 368 CD2 LEU A 24 11.851 -9.707 5.183 1.00 0.00 C ATOM 0 H LEU A 24 13.471 -6.598 4.221 1.00 0.00 H new ATOM 0 HA LEU A 24 12.558 -5.629 6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.682 -8.060 7.375 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.476 -7.476 6.246 1.00 0.00 H new ATOM 0 HG LEU A 24 13.143 -8.222 4.440 1.00 0.00 H new ATOM 0 HD11 LEU A 24 14.433 -10.175 4.988 1.00 0.00 H new ATOM 0 HD12 LEU A 24 15.016 -8.694 5.784 1.00 0.00 H new ATOM 0 HD13 LEU A 24 14.093 -9.899 6.713 1.00 0.00 H new ATOM 0 HD21 LEU A 24 12.165 -10.468 4.469 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.607 -10.180 6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.971 -9.190 4.799 1.00 0.00 H new ATOM 380 N TYR A 25 15.680 -6.332 6.528 1.00 0.00 N ATOM 381 CA TYR A 25 16.935 -6.073 7.203 1.00 0.00 C ATOM 382 C TYR A 25 17.064 -4.582 7.522 1.00 0.00 C ATOM 383 O TYR A 25 17.428 -4.197 8.630 1.00 0.00 O ATOM 384 CB TYR A 25 18.120 -6.516 6.342 1.00 0.00 C ATOM 385 CG TYR A 25 19.472 -6.097 6.904 1.00 0.00 C ATOM 386 CD1 TYR A 25 20.029 -6.750 7.994 1.00 0.00 C ATOM 387 CD2 TYR A 25 20.176 -5.032 6.348 1.00 0.00 C ATOM 388 CE1 TYR A 25 21.247 -6.360 8.509 1.00 0.00 C ATOM 389 CE2 TYR A 25 21.390 -4.640 6.859 1.00 0.00 C ATOM 390 CZ TYR A 25 21.922 -5.307 7.941 1.00 0.00 C ATOM 391 OH TYR A 25 23.141 -4.921 8.455 1.00 0.00 O ATOM 0 H TYR A 25 15.773 -6.632 5.557 1.00 0.00 H new ATOM 0 HA TYR A 25 16.944 -6.645 8.131 1.00 0.00 H new ATOM 0 HB2 TYR A 25 18.099 -7.601 6.240 1.00 0.00 H new ATOM 0 HB3 TYR A 25 18.007 -6.099 5.341 1.00 0.00 H new ATOM 0 HD1 TYR A 25 19.500 -7.576 8.446 1.00 0.00 H new ATOM 0 HD2 TYR A 25 19.761 -4.505 5.501 1.00 0.00 H new ATOM 0 HE1 TYR A 25 21.669 -6.881 9.356 1.00 0.00 H new ATOM 0 HE2 TYR A 25 21.924 -3.813 6.415 1.00 0.00 H new ATOM 0 HH TYR A 25 23.488 -4.163 7.940 1.00 0.00 H new ATOM 401 N LEU A 26 16.769 -3.754 6.546 1.00 0.00 N ATOM 402 CA LEU A 26 16.889 -2.320 6.680 1.00 0.00 C ATOM 403 C LEU A 26 15.871 -1.812 7.698 1.00 0.00 C ATOM 404 O LEU A 26 16.138 -0.886 8.418 1.00 0.00 O ATOM 405 CB LEU A 26 16.750 -1.636 5.288 1.00 0.00 C ATOM 406 CG LEU A 26 17.232 -0.161 5.133 1.00 0.00 C ATOM 407 CD1 LEU A 26 16.348 0.839 5.871 1.00 0.00 C ATOM 408 CD2 LEU A 26 18.677 -0.033 5.590 1.00 0.00 C ATOM 0 H LEU A 26 16.437 -4.058 5.631 1.00 0.00 H new ATOM 0 HA LEU A 26 17.878 -2.060 7.057 1.00 0.00 H new ATOM 0 HB2 LEU A 26 17.297 -2.241 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 26 15.698 -1.673 5.004 1.00 0.00 H new ATOM 0 HG LEU A 26 17.158 0.086 4.074 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.737 1.847 5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.331 0.782 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 26 16.343 0.604 6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.004 1.001 5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 26 18.755 -0.327 6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.309 -0.681 4.983 1.00 0.00 H new ATOM 420 N ASP A 27 14.728 -2.446 7.750 1.00 0.00 N ATOM 421 CA ASP A 27 13.687 -2.110 8.710 1.00 0.00 C ATOM 422 C ASP A 27 14.190 -2.285 10.134 1.00 0.00 C ATOM 423 O ASP A 27 14.029 -1.403 10.967 1.00 0.00 O ATOM 424 CB ASP A 27 12.457 -2.991 8.479 1.00 0.00 C ATOM 425 CG ASP A 27 11.365 -2.797 9.513 1.00 0.00 C ATOM 426 OD1 ASP A 27 10.769 -1.709 9.581 1.00 0.00 O ATOM 427 OD2 ASP A 27 11.082 -3.763 10.279 1.00 0.00 O ATOM 0 H ASP A 27 14.484 -3.216 7.127 1.00 0.00 H new ATOM 0 HA ASP A 27 13.412 -1.065 8.567 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.050 -2.780 7.490 1.00 0.00 H new ATOM 0 HB3 ASP A 27 12.765 -4.037 8.480 1.00 0.00 H new ATOM 432 N GLU A 28 14.844 -3.404 10.399 1.00 0.00 N ATOM 433 CA GLU A 28 15.346 -3.662 11.735 1.00 0.00 C ATOM 434 C GLU A 28 16.612 -2.862 12.055 1.00 0.00 C ATOM 435 O GLU A 28 16.798 -2.407 13.184 1.00 0.00 O ATOM 436 CB GLU A 28 15.550 -5.152 11.990 1.00 0.00 C ATOM 437 CG GLU A 28 16.571 -5.829 11.102 1.00 0.00 C ATOM 438 CD GLU A 28 16.809 -7.252 11.496 1.00 0.00 C ATOM 439 OE1 GLU A 28 17.660 -7.494 12.372 1.00 0.00 O ATOM 440 OE2 GLU A 28 16.158 -8.152 10.949 1.00 0.00 O ATOM 0 H GLU A 28 15.037 -4.137 9.717 1.00 0.00 H new ATOM 0 HA GLU A 28 14.573 -3.314 12.421 1.00 0.00 H new ATOM 0 HB2 GLU A 28 15.850 -5.288 13.029 1.00 0.00 H new ATOM 0 HB3 GLU A 28 14.593 -5.659 11.866 1.00 0.00 H new ATOM 0 HG2 GLU A 28 16.231 -5.793 10.067 1.00 0.00 H new ATOM 0 HG3 GLU A 28 17.511 -5.279 11.148 1.00 0.00 H new ATOM 447 N SER A 29 17.472 -2.690 11.074 1.00 0.00 N ATOM 448 CA SER A 29 18.697 -1.960 11.288 1.00 0.00 C ATOM 449 C SER A 29 18.435 -0.454 11.333 1.00 0.00 C ATOM 450 O SER A 29 19.078 0.276 12.082 1.00 0.00 O ATOM 451 CB SER A 29 19.731 -2.321 10.216 1.00 0.00 C ATOM 452 OG SER A 29 19.180 -2.199 8.913 1.00 0.00 O ATOM 0 H SER A 29 17.344 -3.045 10.126 1.00 0.00 H new ATOM 0 HA SER A 29 19.107 -2.247 12.256 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.599 -1.669 10.310 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.081 -3.342 10.372 1.00 0.00 H new ATOM 0 HG SER A 29 18.693 -3.019 8.685 1.00 0.00 H new ATOM 458 N ASN A 30 17.459 -0.022 10.526 1.00 0.00 N ATOM 459 CA ASN A 30 17.031 1.373 10.367 1.00 0.00 C ATOM 460 C ASN A 30 18.203 2.318 10.207 1.00 0.00 C ATOM 461 O ASN A 30 18.291 3.357 10.857 1.00 0.00 O ATOM 462 CB ASN A 30 15.979 1.841 11.428 1.00 0.00 C ATOM 463 CG ASN A 30 16.419 1.767 12.882 1.00 0.00 C ATOM 464 OD1 ASN A 30 16.248 0.743 13.549 1.00 0.00 O ATOM 465 ND2 ASN A 30 16.940 2.840 13.399 1.00 0.00 N ATOM 0 H ASN A 30 16.923 -0.663 9.941 1.00 0.00 H new ATOM 0 HA ASN A 30 16.485 1.411 9.424 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.702 2.871 11.205 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.080 1.236 11.310 1.00 0.00 H new ATOM 0 HD21 ASN A 30 17.219 2.850 14.380 1.00 0.00 H new ATOM 0 HD22 ASN A 30 17.070 3.672 12.824 1.00 0.00 H new ATOM 472 N ALA A 31 19.089 1.945 9.285 1.00 0.00 N ATOM 473 CA ALA A 31 20.337 2.667 8.987 1.00 0.00 C ATOM 474 C ALA A 31 20.109 4.126 8.620 1.00 0.00 C ATOM 475 O ALA A 31 20.924 4.984 8.909 1.00 0.00 O ATOM 476 CB ALA A 31 21.097 1.953 7.883 1.00 0.00 C ATOM 0 H ALA A 31 18.961 1.114 8.708 1.00 0.00 H new ATOM 0 HA ALA A 31 20.930 2.669 9.901 1.00 0.00 H new ATOM 0 HB1 ALA A 31 22.019 2.493 7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 31 21.337 0.939 8.203 1.00 0.00 H new ATOM 0 HB3 ALA A 31 20.482 1.914 6.984 1.00 0.00 H new ATOM 482 N LEU A 32 18.982 4.397 8.029 1.00 0.00 N ATOM 483 CA LEU A 32 18.634 5.743 7.603 1.00 0.00 C ATOM 484 C LEU A 32 18.023 6.550 8.744 1.00 0.00 C ATOM 485 O LEU A 32 17.636 7.697 8.565 1.00 0.00 O ATOM 486 CB LEU A 32 17.660 5.646 6.441 1.00 0.00 C ATOM 487 CG LEU A 32 18.237 5.062 5.156 1.00 0.00 C ATOM 488 CD1 LEU A 32 17.128 4.608 4.259 1.00 0.00 C ATOM 489 CD2 LEU A 32 19.068 6.109 4.438 1.00 0.00 C ATOM 0 H LEU A 32 18.269 3.697 7.823 1.00 0.00 H new ATOM 0 HA LEU A 32 19.540 6.263 7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.811 5.035 6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.275 6.643 6.227 1.00 0.00 H new ATOM 0 HG LEU A 32 18.869 4.211 5.410 1.00 0.00 H new ATOM 0 HD11 LEU A 32 17.548 4.192 3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.538 3.845 4.767 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.489 5.456 4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 32 19.476 5.684 3.521 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.441 6.966 4.192 1.00 0.00 H new ATOM 0 HD23 LEU A 32 19.885 6.431 5.084 1.00 0.00 H new ATOM 501 N GLY A 33 17.927 5.938 9.912 1.00 0.00 N ATOM 502 CA GLY A 33 17.328 6.591 11.057 1.00 0.00 C ATOM 503 C GLY A 33 15.822 6.523 10.987 1.00 0.00 C ATOM 504 O GLY A 33 15.118 7.122 11.792 1.00 0.00 O ATOM 0 H GLY A 33 18.257 4.989 10.090 1.00 0.00 H new ATOM 0 HA2 GLY A 33 17.675 6.116 11.975 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.648 7.632 11.096 1.00 0.00 H new ATOM 508 N LYS A 34 15.337 5.779 10.019 1.00 0.00 N ATOM 509 CA LYS A 34 13.927 5.616 9.757 1.00 0.00 C ATOM 510 C LYS A 34 13.672 4.181 9.412 1.00 0.00 C ATOM 511 O LYS A 34 14.550 3.516 8.840 1.00 0.00 O ATOM 512 CB LYS A 34 13.496 6.481 8.557 1.00 0.00 C ATOM 513 CG LYS A 34 13.603 7.985 8.759 1.00 0.00 C ATOM 514 CD LYS A 34 12.634 8.479 9.822 1.00 0.00 C ATOM 515 CE LYS A 34 12.742 9.982 10.019 1.00 0.00 C ATOM 516 NZ LYS A 34 12.474 10.731 8.778 1.00 0.00 N ATOM 0 H LYS A 34 15.930 5.256 9.375 1.00 0.00 H new ATOM 0 HA LYS A 34 13.365 5.919 10.640 1.00 0.00 H new ATOM 0 HB2 LYS A 34 14.104 6.204 7.695 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.463 6.238 8.310 1.00 0.00 H new ATOM 0 HG2 LYS A 34 14.622 8.242 9.048 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.401 8.494 7.817 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.615 8.221 9.535 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.837 7.972 10.765 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.038 10.296 10.789 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.741 10.228 10.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.325 11.735 9.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.285 10.638 8.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.622 10.349 8.319 1.00 0.00 H new ATOM 530 N LYS A 35 12.521 3.693 9.767 1.00 0.00 N ATOM 531 CA LYS A 35 12.115 2.375 9.380 1.00 0.00 C ATOM 532 C LYS A 35 10.887 2.486 8.511 1.00 0.00 C ATOM 533 O LYS A 35 9.777 2.779 8.952 1.00 0.00 O ATOM 534 CB LYS A 35 12.038 1.398 10.570 1.00 0.00 C ATOM 535 CG LYS A 35 11.102 1.766 11.720 1.00 0.00 C ATOM 536 CD LYS A 35 11.516 1.031 13.007 1.00 0.00 C ATOM 537 CE LYS A 35 11.724 -0.466 12.778 1.00 0.00 C ATOM 538 NZ LYS A 35 12.233 -1.168 13.978 1.00 0.00 N ATOM 0 H LYS A 35 11.838 4.197 10.332 1.00 0.00 H new ATOM 0 HA LYS A 35 12.880 1.901 8.766 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.735 0.424 10.187 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.043 1.282 10.977 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.125 2.843 11.886 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.076 1.506 11.459 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.437 1.469 13.393 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.750 1.177 13.769 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.779 -0.916 12.473 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.425 -0.609 11.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.355 -2.178 13.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.148 -0.761 14.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.554 -1.059 14.758 1.00 0.00 H new ATOM 552 N PHE A 36 11.150 2.311 7.255 1.00 0.00 N ATOM 553 CA PHE A 36 10.264 2.662 6.178 1.00 0.00 C ATOM 554 C PHE A 36 9.079 1.726 5.941 1.00 0.00 C ATOM 555 O PHE A 36 7.962 2.192 5.729 1.00 0.00 O ATOM 556 CB PHE A 36 11.090 2.855 4.884 1.00 0.00 C ATOM 557 CG PHE A 36 11.723 1.602 4.267 1.00 0.00 C ATOM 558 CD1 PHE A 36 12.606 0.776 4.978 1.00 0.00 C ATOM 559 CD2 PHE A 36 11.453 1.277 2.951 1.00 0.00 C ATOM 560 CE1 PHE A 36 13.181 -0.317 4.383 1.00 0.00 C ATOM 561 CE2 PHE A 36 12.030 0.183 2.362 1.00 0.00 C ATOM 562 CZ PHE A 36 12.896 -0.609 3.077 1.00 0.00 C ATOM 0 H PHE A 36 12.027 1.901 6.932 1.00 0.00 H new ATOM 0 HA PHE A 36 9.787 3.593 6.486 1.00 0.00 H new ATOM 0 HB2 PHE A 36 10.443 3.311 4.135 1.00 0.00 H new ATOM 0 HB3 PHE A 36 11.887 3.568 5.094 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.836 1.004 6.008 1.00 0.00 H new ATOM 0 HD2 PHE A 36 10.777 1.895 2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 36 13.857 -0.946 4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 36 11.804 -0.058 1.334 1.00 0.00 H new ATOM 0 HZ PHE A 36 13.354 -1.466 2.606 1.00 0.00 H new ATOM 572 N ILE A 37 9.291 0.456 5.998 1.00 0.00 N ATOM 573 CA ILE A 37 8.268 -0.475 5.582 1.00 0.00 C ATOM 574 C ILE A 37 7.210 -0.695 6.666 1.00 0.00 C ATOM 575 O ILE A 37 7.524 -1.029 7.808 1.00 0.00 O ATOM 576 CB ILE A 37 8.919 -1.797 5.042 1.00 0.00 C ATOM 577 CG1 ILE A 37 7.907 -2.844 4.521 1.00 0.00 C ATOM 578 CG2 ILE A 37 9.858 -2.411 6.053 1.00 0.00 C ATOM 579 CD1 ILE A 37 7.242 -3.699 5.579 1.00 0.00 C ATOM 0 H ILE A 37 10.157 0.027 6.326 1.00 0.00 H new ATOM 0 HA ILE A 37 7.716 -0.039 4.749 1.00 0.00 H new ATOM 0 HB ILE A 37 9.495 -1.486 4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.131 -2.324 3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 37 8.421 -3.501 3.820 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.289 -3.324 5.642 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.656 -1.705 6.284 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.308 -2.647 6.964 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.553 -4.397 5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.002 -4.256 6.127 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.691 -3.060 6.270 1.00 0.00 H new ATOM 591 N ILE A 38 5.961 -0.479 6.305 1.00 0.00 N ATOM 592 CA ILE A 38 4.866 -0.679 7.228 1.00 0.00 C ATOM 593 C ILE A 38 4.361 -2.106 7.144 1.00 0.00 C ATOM 594 O ILE A 38 4.354 -2.832 8.141 1.00 0.00 O ATOM 595 CB ILE A 38 3.699 0.294 6.940 1.00 0.00 C ATOM 596 CG1 ILE A 38 4.095 1.743 7.268 1.00 0.00 C ATOM 597 CG2 ILE A 38 2.439 -0.143 7.679 1.00 0.00 C ATOM 598 CD1 ILE A 38 3.029 2.774 6.943 1.00 0.00 C ATOM 0 H ILE A 38 5.680 -0.164 5.376 1.00 0.00 H new ATOM 0 HA ILE A 38 5.243 -0.481 8.231 1.00 0.00 H new ATOM 0 HB ILE A 38 3.475 0.262 5.874 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.336 1.810 8.329 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.003 1.992 6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.630 0.555 7.463 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.153 -1.143 7.351 1.00 0.00 H new ATOM 0 HG23 ILE A 38 2.632 -0.154 8.752 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.392 3.768 7.206 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.803 2.740 5.877 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.126 2.555 7.512 1.00 0.00 H new ATOM 610 N GLN A 39 3.998 -2.528 5.953 1.00 0.00 N ATOM 611 CA GLN A 39 3.537 -3.873 5.767 1.00 0.00 C ATOM 612 C GLN A 39 4.019 -4.397 4.447 1.00 0.00 C ATOM 613 O GLN A 39 4.178 -3.624 3.482 1.00 0.00 O ATOM 614 CB GLN A 39 1.986 -4.049 5.900 1.00 0.00 C ATOM 615 CG GLN A 39 1.176 -3.416 4.792 1.00 0.00 C ATOM 616 CD GLN A 39 -0.244 -3.970 4.712 1.00 0.00 C ATOM 617 OE1 GLN A 39 -1.143 -3.417 5.304 1.00 0.00 O ATOM 618 NE2 GLN A 39 -0.411 -5.127 4.042 1.00 0.00 N ATOM 0 H GLN A 39 4.015 -1.958 5.107 1.00 0.00 H new ATOM 0 HA GLN A 39 3.963 -4.457 6.583 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.758 -5.114 5.934 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.667 -3.624 6.852 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.133 -2.338 4.949 1.00 0.00 H new ATOM 0 HG3 GLN A 39 1.680 -3.580 3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.379 -5.555 3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -1.327 -5.575 4.019 1.00 0.00 H new ATOM 627 N ASP A 40 4.336 -5.663 4.412 1.00 0.00 N ATOM 628 CA ASP A 40 4.640 -6.296 3.180 1.00 0.00 C ATOM 629 C ASP A 40 3.380 -6.796 2.582 1.00 0.00 C ATOM 630 O ASP A 40 2.497 -7.335 3.268 1.00 0.00 O ATOM 631 CB ASP A 40 5.743 -7.373 3.227 1.00 0.00 C ATOM 632 CG ASP A 40 5.606 -8.458 4.260 1.00 0.00 C ATOM 633 OD1 ASP A 40 4.692 -9.307 4.171 1.00 0.00 O ATOM 634 OD2 ASP A 40 6.495 -8.532 5.126 1.00 0.00 O ATOM 0 H ASP A 40 4.388 -6.269 5.231 1.00 0.00 H new ATOM 0 HA ASP A 40 5.091 -5.536 2.541 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.794 -7.846 2.246 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.697 -6.872 3.389 1.00 0.00 H new ATOM 639 N ILE A 41 3.251 -6.570 1.346 1.00 0.00 N ATOM 640 CA ILE A 41 2.062 -6.853 0.663 1.00 0.00 C ATOM 641 C ILE A 41 2.262 -7.922 -0.408 1.00 0.00 C ATOM 642 O ILE A 41 2.744 -7.695 -1.495 1.00 0.00 O ATOM 643 CB ILE A 41 1.368 -5.567 0.148 1.00 0.00 C ATOM 644 CG1 ILE A 41 2.353 -4.419 0.018 1.00 0.00 C ATOM 645 CG2 ILE A 41 0.208 -5.150 1.035 1.00 0.00 C ATOM 646 CD1 ILE A 41 1.733 -3.101 -0.334 1.00 0.00 C ATOM 0 H ILE A 41 3.986 -6.173 0.762 1.00 0.00 H new ATOM 0 HA ILE A 41 1.364 -7.288 1.379 1.00 0.00 H new ATOM 0 HB ILE A 41 0.972 -5.806 -0.839 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.892 -4.312 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.089 -4.674 -0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.248 -4.244 0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.534 -5.948 1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 41 0.572 -4.958 2.044 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.511 -2.341 -0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 41 1.218 -3.185 -1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.018 -2.817 0.438 1.00 0.00 H new ATOM 658 N ASP A 42 2.010 -9.087 0.034 1.00 0.00 N ATOM 659 CA ASP A 42 2.036 -10.349 -0.701 1.00 0.00 C ATOM 660 C ASP A 42 3.263 -10.627 -1.531 1.00 0.00 C ATOM 661 O ASP A 42 3.271 -10.461 -2.762 1.00 0.00 O ATOM 662 CB ASP A 42 0.768 -10.657 -1.453 1.00 0.00 C ATOM 663 CG ASP A 42 -0.416 -10.883 -0.533 1.00 0.00 C ATOM 664 OD1 ASP A 42 -0.493 -11.953 0.099 1.00 0.00 O ATOM 665 OD2 ASP A 42 -1.293 -10.007 -0.408 1.00 0.00 O ATOM 0 H ASP A 42 1.752 -9.229 1.010 1.00 0.00 H new ATOM 0 HA ASP A 42 2.105 -11.062 0.120 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.544 -9.834 -2.132 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.921 -11.545 -2.067 1.00 0.00 H new ATOM 670 N ASP A 43 4.315 -10.948 -0.812 1.00 0.00 N ATOM 671 CA ASP A 43 5.614 -11.479 -1.298 1.00 0.00 C ATOM 672 C ASP A 43 6.462 -10.486 -2.076 1.00 0.00 C ATOM 673 O ASP A 43 7.680 -10.403 -1.900 1.00 0.00 O ATOM 674 CB ASP A 43 5.399 -12.765 -2.116 1.00 0.00 C ATOM 675 CG ASP A 43 6.663 -13.290 -2.758 1.00 0.00 C ATOM 676 OD1 ASP A 43 7.464 -13.981 -2.072 1.00 0.00 O ATOM 677 OD2 ASP A 43 6.868 -13.039 -3.972 1.00 0.00 O ATOM 0 H ASP A 43 4.307 -10.846 0.203 1.00 0.00 H new ATOM 0 HA ASP A 43 6.188 -11.699 -0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.985 -13.535 -1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.659 -12.572 -2.893 1.00 0.00 H new ATOM 682 N THR A 44 5.829 -9.735 -2.878 1.00 0.00 N ATOM 683 CA THR A 44 6.515 -8.870 -3.802 1.00 0.00 C ATOM 684 C THR A 44 6.260 -7.388 -3.508 1.00 0.00 C ATOM 685 O THR A 44 7.115 -6.539 -3.780 1.00 0.00 O ATOM 686 CB THR A 44 6.074 -9.201 -5.243 1.00 0.00 C ATOM 687 OG1 THR A 44 6.170 -10.631 -5.453 1.00 0.00 O ATOM 688 CG2 THR A 44 6.957 -8.500 -6.274 1.00 0.00 C ATOM 0 H THR A 44 4.812 -9.686 -2.930 1.00 0.00 H new ATOM 0 HA THR A 44 7.585 -9.045 -3.687 1.00 0.00 H new ATOM 0 HB THR A 44 5.048 -8.855 -5.369 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.889 -10.847 -6.367 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.618 -8.756 -7.278 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.894 -7.421 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.990 -8.822 -6.147 1.00 0.00 H new ATOM 696 N HIS A 45 5.120 -7.059 -2.925 1.00 0.00 N ATOM 697 CA HIS A 45 4.838 -5.667 -2.714 1.00 0.00 C ATOM 698 C HIS A 45 5.245 -5.248 -1.342 1.00 0.00 C ATOM 699 O HIS A 45 5.339 -6.067 -0.418 1.00 0.00 O ATOM 700 CB HIS A 45 3.376 -5.287 -3.003 1.00 0.00 C ATOM 701 CG HIS A 45 2.991 -5.305 -4.435 1.00 0.00 C ATOM 702 ND1 HIS A 45 2.828 -4.159 -5.155 1.00 0.00 N ATOM 703 CD2 HIS A 45 2.714 -6.321 -5.279 1.00 0.00 C ATOM 704 CE1 HIS A 45 2.468 -4.447 -6.372 1.00 0.00 C ATOM 705 NE2 HIS A 45 2.389 -5.757 -6.490 1.00 0.00 N ATOM 0 H HIS A 45 4.406 -7.713 -2.604 1.00 0.00 H new ATOM 0 HA HIS A 45 5.436 -5.118 -3.441 1.00 0.00 H new ATOM 0 HB2 HIS A 45 2.725 -5.972 -2.459 1.00 0.00 H new ATOM 0 HB3 HIS A 45 3.191 -4.289 -2.606 1.00 0.00 H new ATOM 0 HD2 HIS A 45 2.742 -7.376 -5.047 1.00 0.00 H new ATOM 0 HE1 HIS A 45 2.267 -3.731 -7.155 1.00 0.00 H new ATOM 0 HE2 HIS A 45 2.131 -6.266 -7.335 1.00 0.00 H new ATOM 714 N VAL A 46 5.490 -3.996 -1.208 1.00 0.00 N ATOM 715 CA VAL A 46 5.896 -3.396 0.020 1.00 0.00 C ATOM 716 C VAL A 46 5.172 -2.075 0.177 1.00 0.00 C ATOM 717 O VAL A 46 4.901 -1.401 -0.815 1.00 0.00 O ATOM 718 CB VAL A 46 7.444 -3.209 0.033 1.00 0.00 C ATOM 719 CG1 VAL A 46 7.857 -2.019 0.891 1.00 0.00 C ATOM 720 CG2 VAL A 46 8.115 -4.497 0.558 1.00 0.00 C ATOM 0 H VAL A 46 5.412 -3.331 -1.978 1.00 0.00 H new ATOM 0 HA VAL A 46 5.638 -4.038 0.862 1.00 0.00 H new ATOM 0 HB VAL A 46 7.772 -3.011 -0.988 1.00 0.00 H new ATOM 0 HG11 VAL A 46 8.942 -1.919 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.404 -1.110 0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 46 7.521 -2.175 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.197 -4.366 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.766 -4.703 1.570 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.856 -5.333 -0.092 1.00 0.00 H new ATOM 730 N PHE A 47 4.787 -1.750 1.384 1.00 0.00 N ATOM 731 CA PHE A 47 4.154 -0.502 1.627 1.00 0.00 C ATOM 732 C PHE A 47 5.030 0.351 2.532 1.00 0.00 C ATOM 733 O PHE A 47 5.540 -0.133 3.559 1.00 0.00 O ATOM 734 CB PHE A 47 2.809 -0.703 2.285 1.00 0.00 C ATOM 735 CG PHE A 47 2.000 0.529 2.259 1.00 0.00 C ATOM 736 CD1 PHE A 47 2.082 1.436 3.280 1.00 0.00 C ATOM 737 CD2 PHE A 47 1.174 0.789 1.191 1.00 0.00 C ATOM 738 CE1 PHE A 47 1.353 2.587 3.245 1.00 0.00 C ATOM 739 CE2 PHE A 47 0.435 1.937 1.147 1.00 0.00 C ATOM 740 CZ PHE A 47 0.524 2.833 2.174 1.00 0.00 C ATOM 0 H PHE A 47 4.906 -2.340 2.208 1.00 0.00 H new ATOM 0 HA PHE A 47 4.008 -0.000 0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.271 -1.503 1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.953 -1.022 3.317 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.730 1.238 4.121 1.00 0.00 H new ATOM 0 HD2 PHE A 47 1.109 0.079 0.380 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.425 3.301 4.052 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -0.214 2.135 0.307 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.060 3.741 2.146 1.00 0.00 H new ATOM 750 N VAL A 48 5.183 1.590 2.169 1.00 0.00 N ATOM 751 CA VAL A 48 5.975 2.544 2.908 1.00 0.00 C ATOM 752 C VAL A 48 5.333 3.926 2.818 1.00 0.00 C ATOM 753 O VAL A 48 4.707 4.244 1.833 1.00 0.00 O ATOM 754 CB VAL A 48 7.441 2.562 2.373 1.00 0.00 C ATOM 755 CG1 VAL A 48 7.466 2.585 0.859 1.00 0.00 C ATOM 756 CG2 VAL A 48 8.237 3.738 2.918 1.00 0.00 C ATOM 0 H VAL A 48 4.752 1.981 1.331 1.00 0.00 H new ATOM 0 HA VAL A 48 6.009 2.250 3.957 1.00 0.00 H new ATOM 0 HB VAL A 48 7.913 1.645 2.726 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.499 2.597 0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 48 6.964 1.697 0.473 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.952 3.477 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.250 3.708 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.757 4.671 2.622 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.275 3.679 4.006 1.00 0.00 H new ATOM 766 N ILE A 49 5.441 4.703 3.866 1.00 0.00 N ATOM 767 CA ILE A 49 4.942 6.060 3.872 1.00 0.00 C ATOM 768 C ILE A 49 5.687 6.945 2.838 1.00 0.00 C ATOM 769 O ILE A 49 6.924 6.878 2.703 1.00 0.00 O ATOM 770 CB ILE A 49 4.970 6.633 5.315 1.00 0.00 C ATOM 771 CG1 ILE A 49 3.560 6.602 5.944 1.00 0.00 C ATOM 772 CG2 ILE A 49 5.633 7.996 5.416 1.00 0.00 C ATOM 773 CD1 ILE A 49 2.565 7.551 5.308 1.00 0.00 C ATOM 0 H ILE A 49 5.878 4.415 4.742 1.00 0.00 H new ATOM 0 HA ILE A 49 3.900 6.059 3.552 1.00 0.00 H new ATOM 0 HB ILE A 49 5.610 5.976 5.904 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.168 5.587 5.876 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.644 6.841 7.004 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.616 8.333 6.452 1.00 0.00 H new ATOM 0 HG22 ILE A 49 6.666 7.924 5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.094 8.710 4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.603 7.462 5.813 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.929 8.574 5.399 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.446 7.301 4.254 1.00 0.00 H new ATOM 785 N ALA A 50 4.920 7.777 2.148 1.00 0.00 N ATOM 786 CA ALA A 50 5.395 8.578 1.020 1.00 0.00 C ATOM 787 C ALA A 50 6.551 9.503 1.364 1.00 0.00 C ATOM 788 O ALA A 50 7.584 9.513 0.692 1.00 0.00 O ATOM 789 CB ALA A 50 4.247 9.389 0.434 1.00 0.00 C ATOM 0 H ALA A 50 3.932 7.920 2.357 1.00 0.00 H new ATOM 0 HA ALA A 50 5.776 7.867 0.286 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.611 9.982 -0.405 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.464 8.714 0.089 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.843 10.053 1.199 1.00 0.00 H new ATOM 795 N GLU A 51 6.394 10.235 2.421 1.00 0.00 N ATOM 796 CA GLU A 51 7.350 11.250 2.807 1.00 0.00 C ATOM 797 C GLU A 51 8.733 10.719 3.194 1.00 0.00 C ATOM 798 O GLU A 51 9.709 11.463 3.147 1.00 0.00 O ATOM 799 CB GLU A 51 6.749 12.148 3.853 1.00 0.00 C ATOM 800 CG GLU A 51 5.600 12.960 3.291 1.00 0.00 C ATOM 801 CD GLU A 51 4.772 13.585 4.347 1.00 0.00 C ATOM 802 OE1 GLU A 51 5.168 14.619 4.902 1.00 0.00 O ATOM 803 OE2 GLU A 51 3.708 13.029 4.660 1.00 0.00 O ATOM 0 H GLU A 51 5.597 10.152 3.052 1.00 0.00 H new ATOM 0 HA GLU A 51 7.556 11.841 1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.396 11.547 4.691 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.515 12.819 4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.995 13.737 2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.972 12.316 2.676 1.00 0.00 H new ATOM 810 N LEU A 52 8.842 9.460 3.561 1.00 0.00 N ATOM 811 CA LEU A 52 10.161 8.930 3.842 1.00 0.00 C ATOM 812 C LEU A 52 10.627 7.892 2.826 1.00 0.00 C ATOM 813 O LEU A 52 11.776 7.501 2.828 1.00 0.00 O ATOM 814 CB LEU A 52 10.396 8.525 5.325 1.00 0.00 C ATOM 815 CG LEU A 52 9.398 7.580 6.002 1.00 0.00 C ATOM 816 CD1 LEU A 52 9.378 6.211 5.351 1.00 0.00 C ATOM 817 CD2 LEU A 52 9.717 7.453 7.478 1.00 0.00 C ATOM 0 H LEU A 52 8.067 8.805 3.669 1.00 0.00 H new ATOM 0 HA LEU A 52 10.831 9.779 3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 52 11.382 8.064 5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.434 9.441 5.915 1.00 0.00 H new ATOM 0 HG LEU A 52 8.405 8.013 5.882 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.656 5.575 5.864 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.094 6.310 4.303 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.369 5.762 5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.001 6.779 7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.724 7.055 7.600 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.655 8.434 7.949 1.00 0.00 H new ATOM 829 N VAL A 53 9.740 7.470 1.927 1.00 0.00 N ATOM 830 CA VAL A 53 10.163 6.563 0.853 1.00 0.00 C ATOM 831 C VAL A 53 11.065 7.310 -0.092 1.00 0.00 C ATOM 832 O VAL A 53 11.908 6.740 -0.711 1.00 0.00 O ATOM 833 CB VAL A 53 9.018 5.837 0.071 1.00 0.00 C ATOM 834 CG1 VAL A 53 8.194 6.793 -0.747 1.00 0.00 C ATOM 835 CG2 VAL A 53 9.584 4.737 -0.823 1.00 0.00 C ATOM 0 H VAL A 53 8.754 7.729 1.915 1.00 0.00 H new ATOM 0 HA VAL A 53 10.690 5.748 1.349 1.00 0.00 H new ATOM 0 HB VAL A 53 8.362 5.389 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.412 6.243 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.738 7.534 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 53 8.833 7.296 -1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 53 8.770 4.247 -1.356 1.00 0.00 H new ATOM 0 HG22 VAL A 53 10.278 5.173 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 53 10.109 4.004 -0.210 1.00 0.00 H new ATOM 845 N ASN A 54 10.855 8.603 -0.183 1.00 0.00 N ATOM 846 CA ASN A 54 11.663 9.479 -1.025 1.00 0.00 C ATOM 847 C ASN A 54 13.175 9.294 -0.725 1.00 0.00 C ATOM 848 O ASN A 54 13.994 9.212 -1.653 1.00 0.00 O ATOM 849 CB ASN A 54 11.241 10.932 -0.789 1.00 0.00 C ATOM 850 CG ASN A 54 12.022 11.945 -1.605 1.00 0.00 C ATOM 851 OD1 ASN A 54 12.464 11.669 -2.720 1.00 0.00 O ATOM 852 ND2 ASN A 54 12.195 13.120 -1.057 1.00 0.00 N ATOM 0 H ASN A 54 10.115 9.088 0.326 1.00 0.00 H new ATOM 0 HA ASN A 54 11.499 9.219 -2.071 1.00 0.00 H new ATOM 0 HB2 ASN A 54 10.181 11.034 -1.022 1.00 0.00 H new ATOM 0 HB3 ASN A 54 11.359 11.166 0.269 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.711 13.844 -1.556 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.814 13.312 -0.131 1.00 0.00 H new ATOM 859 N VAL A 55 13.525 9.117 0.563 1.00 0.00 N ATOM 860 CA VAL A 55 14.926 8.915 0.927 1.00 0.00 C ATOM 861 C VAL A 55 15.368 7.532 0.479 1.00 0.00 C ATOM 862 O VAL A 55 16.495 7.306 0.079 1.00 0.00 O ATOM 863 CB VAL A 55 15.256 9.170 2.437 1.00 0.00 C ATOM 864 CG1 VAL A 55 14.786 10.539 2.872 1.00 0.00 C ATOM 865 CG2 VAL A 55 14.706 8.107 3.368 1.00 0.00 C ATOM 0 H VAL A 55 12.871 9.111 1.346 1.00 0.00 H new ATOM 0 HA VAL A 55 15.499 9.678 0.401 1.00 0.00 H new ATOM 0 HB VAL A 55 16.342 9.118 2.513 1.00 0.00 H new ATOM 0 HG11 VAL A 55 15.028 10.689 3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 55 15.283 11.302 2.273 1.00 0.00 H new ATOM 0 HG13 VAL A 55 13.708 10.615 2.733 1.00 0.00 H new ATOM 0 HG21 VAL A 55 14.974 8.350 4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.621 8.068 3.275 1.00 0.00 H new ATOM 0 HG23 VAL A 55 15.128 7.138 3.103 1.00 0.00 H new ATOM 875 N LEU A 56 14.445 6.627 0.541 1.00 0.00 N ATOM 876 CA LEU A 56 14.625 5.282 0.069 1.00 0.00 C ATOM 877 C LEU A 56 14.818 5.223 -1.427 1.00 0.00 C ATOM 878 O LEU A 56 15.557 4.415 -1.892 1.00 0.00 O ATOM 879 CB LEU A 56 13.467 4.373 0.486 1.00 0.00 C ATOM 880 CG LEU A 56 13.589 3.670 1.826 1.00 0.00 C ATOM 881 CD1 LEU A 56 14.740 2.707 1.768 1.00 0.00 C ATOM 882 CD2 LEU A 56 13.789 4.647 2.964 1.00 0.00 C ATOM 0 H LEU A 56 13.519 6.802 0.931 1.00 0.00 H new ATOM 0 HA LEU A 56 15.537 4.916 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.555 4.970 0.499 1.00 0.00 H new ATOM 0 HB3 LEU A 56 13.339 3.613 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 56 12.658 3.138 2.019 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.836 2.197 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.561 1.973 0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.659 3.252 1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.871 4.100 3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.702 5.219 2.796 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.939 5.327 3.013 1.00 0.00 H new ATOM 894 N GLN A 57 14.145 6.076 -2.167 1.00 0.00 N ATOM 895 CA GLN A 57 14.257 6.074 -3.620 1.00 0.00 C ATOM 896 C GLN A 57 15.668 6.423 -4.017 1.00 0.00 C ATOM 897 O GLN A 57 16.290 5.729 -4.828 1.00 0.00 O ATOM 898 CB GLN A 57 13.300 7.075 -4.252 1.00 0.00 C ATOM 899 CG GLN A 57 11.849 7.016 -3.774 1.00 0.00 C ATOM 900 CD GLN A 57 11.036 5.769 -4.135 1.00 0.00 C ATOM 901 OE1 GLN A 57 11.633 4.622 -4.189 1.00 0.00 O flip ATOM 902 NE2 GLN A 57 9.835 5.857 -4.316 1.00 0.00 N flip ATOM 0 H GLN A 57 13.512 6.783 -1.792 1.00 0.00 H new ATOM 0 HA GLN A 57 13.998 5.077 -3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 57 13.682 8.079 -4.065 1.00 0.00 H new ATOM 0 HB3 GLN A 57 13.311 6.925 -5.332 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.848 7.116 -2.689 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.327 7.885 -4.174 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.378 6.768 -4.270 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.286 5.020 -4.513 1.00 0.00 H new ATOM 1237 N VAL B 5 7.360 -3.555 -11.721 1.00 0.00 N ATOM 1238 CA VAL B 5 7.427 -2.385 -10.911 1.00 0.00 C ATOM 1239 C VAL B 5 6.154 -1.592 -11.017 1.00 0.00 C ATOM 1240 O VAL B 5 5.754 -1.166 -12.104 1.00 0.00 O ATOM 1241 CB VAL B 5 8.617 -1.449 -11.257 1.00 0.00 C ATOM 1242 CG1 VAL B 5 8.618 -0.255 -10.309 1.00 0.00 C ATOM 1243 CG2 VAL B 5 9.949 -2.183 -11.173 1.00 0.00 C ATOM 0 HA VAL B 5 7.577 -2.749 -9.895 1.00 0.00 H new ATOM 0 HB VAL B 5 8.493 -1.105 -12.284 1.00 0.00 H new ATOM 0 HG11 VAL B 5 9.453 0.402 -10.552 1.00 0.00 H new ATOM 0 HG12 VAL B 5 7.682 0.294 -10.414 1.00 0.00 H new ATOM 0 HG13 VAL B 5 8.719 -0.606 -9.282 1.00 0.00 H new ATOM 0 HG21 VAL B 5 10.759 -1.497 -11.421 1.00 0.00 H new ATOM 0 HG22 VAL B 5 10.092 -2.562 -10.161 1.00 0.00 H new ATOM 0 HG23 VAL B 5 9.950 -3.016 -11.876 1.00 0.00 H new ATOM 1253 N ASN B 6 5.537 -1.399 -9.895 1.00 0.00 N ATOM 1254 CA ASN B 6 4.355 -0.580 -9.758 1.00 0.00 C ATOM 1255 C ASN B 6 4.420 0.114 -8.461 1.00 0.00 C ATOM 1256 O ASN B 6 4.205 -0.476 -7.399 1.00 0.00 O ATOM 1257 CB ASN B 6 3.026 -1.342 -9.889 1.00 0.00 C ATOM 1258 CG ASN B 6 2.729 -1.743 -11.305 1.00 0.00 C ATOM 1259 OD1 ASN B 6 2.136 -0.976 -12.076 1.00 0.00 O ATOM 1260 ND2 ASN B 6 3.075 -2.932 -11.655 1.00 0.00 N ATOM 0 H ASN B 6 5.844 -1.816 -9.016 1.00 0.00 H new ATOM 0 HA ASN B 6 4.357 0.123 -10.591 1.00 0.00 H new ATOM 0 HB2 ASN B 6 3.059 -2.233 -9.262 1.00 0.00 H new ATOM 0 HB3 ASN B 6 2.215 -0.718 -9.514 1.00 0.00 H new ATOM 0 HD21 ASN B 6 2.862 -3.270 -12.594 1.00 0.00 H new ATOM 0 HD22 ASN B 6 3.562 -3.537 -10.994 1.00 0.00 H new ATOM 1267 N VAL B 7 4.792 1.326 -8.538 1.00 0.00 N ATOM 1268 CA VAL B 7 4.920 2.180 -7.386 1.00 0.00 C ATOM 1269 C VAL B 7 3.862 3.252 -7.496 1.00 0.00 C ATOM 1270 O VAL B 7 3.726 3.903 -8.552 1.00 0.00 O ATOM 1271 CB VAL B 7 6.342 2.816 -7.287 1.00 0.00 C ATOM 1272 CG1 VAL B 7 6.438 3.817 -6.142 1.00 0.00 C ATOM 1273 CG2 VAL B 7 7.410 1.738 -7.141 1.00 0.00 C ATOM 0 H VAL B 7 5.027 1.784 -9.418 1.00 0.00 H new ATOM 0 HA VAL B 7 4.784 1.592 -6.478 1.00 0.00 H new ATOM 0 HB VAL B 7 6.517 3.359 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL B 7 7.444 4.236 -6.108 1.00 0.00 H new ATOM 0 HG12 VAL B 7 5.716 4.618 -6.298 1.00 0.00 H new ATOM 0 HG13 VAL B 7 6.223 3.313 -5.199 1.00 0.00 H new ATOM 0 HG21 VAL B 7 8.392 2.206 -7.074 1.00 0.00 H new ATOM 0 HG22 VAL B 7 7.221 1.159 -6.237 1.00 0.00 H new ATOM 0 HG23 VAL B 7 7.381 1.077 -8.008 1.00 0.00 H new ATOM 1283 N LEU B 8 3.118 3.446 -6.448 1.00 0.00 N ATOM 1284 CA LEU B 8 1.975 4.286 -6.541 1.00 0.00 C ATOM 1285 C LEU B 8 1.711 4.996 -5.207 1.00 0.00 C ATOM 1286 O LEU B 8 2.088 4.494 -4.164 1.00 0.00 O ATOM 1287 CB LEU B 8 0.836 3.380 -6.922 1.00 0.00 C ATOM 1288 CG LEU B 8 -0.314 4.006 -7.625 1.00 0.00 C ATOM 1289 CD1 LEU B 8 0.147 4.641 -8.925 1.00 0.00 C ATOM 1290 CD2 LEU B 8 -1.314 2.962 -7.924 1.00 0.00 C ATOM 0 H LEU B 8 3.284 3.036 -5.529 1.00 0.00 H new ATOM 0 HA LEU B 8 2.110 5.077 -7.279 1.00 0.00 H new ATOM 0 HB2 LEU B 8 1.231 2.587 -7.557 1.00 0.00 H new ATOM 0 HB3 LEU B 8 0.462 2.905 -6.015 1.00 0.00 H new ATOM 0 HG LEU B 8 -0.748 4.777 -6.989 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -0.705 5.096 -9.430 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.893 5.406 -8.712 1.00 0.00 H new ATOM 0 HD13 LEU B 8 0.584 3.877 -9.568 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -2.164 3.409 -8.440 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -0.864 2.199 -8.559 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -1.654 2.506 -6.994 1.00 0.00 H new ATOM 1302 N LYS B 9 1.074 6.154 -5.248 1.00 0.00 N ATOM 1303 CA LYS B 9 0.838 6.949 -4.037 1.00 0.00 C ATOM 1304 C LYS B 9 -0.678 7.103 -3.813 1.00 0.00 C ATOM 1305 O LYS B 9 -1.409 7.487 -4.732 1.00 0.00 O ATOM 1306 CB LYS B 9 1.514 8.331 -4.217 1.00 0.00 C ATOM 1307 CG LYS B 9 1.791 9.153 -2.923 1.00 0.00 C ATOM 1308 CD LYS B 9 0.540 9.621 -2.178 1.00 0.00 C ATOM 1309 CE LYS B 9 -0.285 10.621 -2.982 1.00 0.00 C ATOM 1310 NZ LYS B 9 0.438 11.883 -3.232 1.00 0.00 N ATOM 0 H LYS B 9 0.708 6.572 -6.103 1.00 0.00 H new ATOM 0 HA LYS B 9 1.263 6.454 -3.163 1.00 0.00 H new ATOM 0 HB2 LYS B 9 2.462 8.180 -4.733 1.00 0.00 H new ATOM 0 HB3 LYS B 9 0.886 8.933 -4.874 1.00 0.00 H new ATOM 0 HG2 LYS B 9 2.393 8.547 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS B 9 2.388 10.026 -3.185 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -0.079 8.757 -1.937 1.00 0.00 H new ATOM 0 HD3 LYS B 9 0.834 10.076 -1.232 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -0.565 10.172 -3.935 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -1.210 10.836 -2.447 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -0.214 12.580 -3.645 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 0.815 12.250 -2.335 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 1.222 11.709 -3.892 1.00 0.00 H new ATOM 1324 N GLY B 10 -1.137 6.814 -2.610 1.00 0.00 N ATOM 1325 CA GLY B 10 -2.543 6.912 -2.296 1.00 0.00 C ATOM 1326 C GLY B 10 -2.918 6.003 -1.148 1.00 0.00 C ATOM 1327 O GLY B 10 -2.242 6.002 -0.112 1.00 0.00 O ATOM 0 H GLY B 10 -0.551 6.508 -1.833 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -2.789 7.943 -2.041 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -3.132 6.652 -3.175 1.00 0.00 H new ATOM 1331 N VAL B 11 -3.971 5.225 -1.322 1.00 0.00 N ATOM 1332 CA VAL B 11 -4.456 4.338 -0.293 1.00 0.00 C ATOM 1333 C VAL B 11 -4.436 2.869 -0.770 1.00 0.00 C ATOM 1334 O VAL B 11 -4.859 2.536 -1.878 1.00 0.00 O ATOM 1335 CB VAL B 11 -5.895 4.752 0.170 1.00 0.00 C ATOM 1336 CG1 VAL B 11 -6.453 3.795 1.214 1.00 0.00 C ATOM 1337 CG2 VAL B 11 -5.890 6.169 0.724 1.00 0.00 C ATOM 0 H VAL B 11 -4.512 5.194 -2.186 1.00 0.00 H new ATOM 0 HA VAL B 11 -3.786 4.423 0.563 1.00 0.00 H new ATOM 0 HB VAL B 11 -6.540 4.707 -0.707 1.00 0.00 H new ATOM 0 HG11 VAL B 11 -7.452 4.119 1.507 1.00 0.00 H new ATOM 0 HG12 VAL B 11 -6.506 2.790 0.795 1.00 0.00 H new ATOM 0 HG13 VAL B 11 -5.802 3.790 2.088 1.00 0.00 H new ATOM 0 HG21 VAL B 11 -6.897 6.439 1.041 1.00 0.00 H new ATOM 0 HG22 VAL B 11 -5.214 6.224 1.578 1.00 0.00 H new ATOM 0 HG23 VAL B 11 -5.555 6.861 -0.049 1.00 0.00 H new ATOM 1347 N LEU B 12 -3.927 2.038 0.073 1.00 0.00 N ATOM 1348 CA LEU B 12 -3.825 0.617 -0.123 1.00 0.00 C ATOM 1349 C LEU B 12 -4.993 -0.060 0.564 1.00 0.00 C ATOM 1350 O LEU B 12 -5.296 0.273 1.695 1.00 0.00 O ATOM 1351 CB LEU B 12 -2.532 0.141 0.552 1.00 0.00 C ATOM 1352 CG LEU B 12 -2.385 -1.361 0.782 1.00 0.00 C ATOM 1353 CD1 LEU B 12 -2.198 -2.114 -0.520 1.00 0.00 C ATOM 1354 CD2 LEU B 12 -1.263 -1.649 1.762 1.00 0.00 C ATOM 0 H LEU B 12 -3.547 2.340 0.970 1.00 0.00 H new ATOM 0 HA LEU B 12 -3.826 0.378 -1.187 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -1.690 0.475 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -2.449 0.642 1.517 1.00 0.00 H new ATOM 0 HG LEU B 12 -3.314 -1.721 1.223 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -2.097 -3.179 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -3.063 -1.949 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -1.299 -1.755 -1.022 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -1.177 -2.725 1.910 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -0.325 -1.261 1.365 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -1.480 -1.168 2.715 1.00 0.00 H new ATOM 1366 N ILE B 13 -5.649 -0.977 -0.106 1.00 0.00 N ATOM 1367 CA ILE B 13 -6.692 -1.753 0.519 1.00 0.00 C ATOM 1368 C ILE B 13 -6.511 -3.256 0.313 1.00 0.00 C ATOM 1369 O ILE B 13 -6.523 -3.776 -0.814 1.00 0.00 O ATOM 1370 CB ILE B 13 -8.146 -1.235 0.216 1.00 0.00 C ATOM 1371 CG1 ILE B 13 -9.235 -2.218 0.688 1.00 0.00 C ATOM 1372 CG2 ILE B 13 -8.334 -0.872 -1.234 1.00 0.00 C ATOM 1373 CD1 ILE B 13 -10.638 -1.650 0.605 1.00 0.00 C ATOM 0 H ILE B 13 -5.478 -1.204 -1.086 1.00 0.00 H new ATOM 0 HA ILE B 13 -6.575 -1.589 1.590 1.00 0.00 H new ATOM 0 HB ILE B 13 -8.263 -0.322 0.799 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -9.182 -3.124 0.084 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -9.029 -2.509 1.718 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -9.354 -0.520 -1.392 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -7.632 -0.084 -1.506 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -8.153 -1.749 -1.855 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -11.353 -2.395 0.953 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -10.708 -0.760 1.231 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -10.863 -1.385 -0.428 1.00 0.00 H new ATOM 1385 N GLU B 14 -6.240 -3.914 1.413 1.00 0.00 N ATOM 1386 CA GLU B 14 -6.094 -5.350 1.501 1.00 0.00 C ATOM 1387 C GLU B 14 -7.352 -5.888 2.106 1.00 0.00 C ATOM 1388 O GLU B 14 -7.886 -5.285 3.036 1.00 0.00 O ATOM 1389 CB GLU B 14 -4.930 -5.695 2.453 1.00 0.00 C ATOM 1390 CG GLU B 14 -4.800 -7.184 2.811 1.00 0.00 C ATOM 1391 CD GLU B 14 -3.629 -7.495 3.733 1.00 0.00 C ATOM 1392 OE1 GLU B 14 -2.508 -6.965 3.508 1.00 0.00 O ATOM 1393 OE2 GLU B 14 -3.786 -8.327 4.633 1.00 0.00 O ATOM 0 H GLU B 14 -6.109 -3.446 2.310 1.00 0.00 H new ATOM 0 HA GLU B 14 -5.901 -5.771 0.514 1.00 0.00 H new ATOM 0 HB2 GLU B 14 -3.997 -5.364 1.996 1.00 0.00 H new ATOM 0 HB3 GLU B 14 -5.053 -5.125 3.374 1.00 0.00 H new ATOM 0 HG2 GLU B 14 -5.723 -7.515 3.287 1.00 0.00 H new ATOM 0 HG3 GLU B 14 -4.690 -7.761 1.893 1.00 0.00 H new ATOM 1400 N CYS B 15 -7.804 -6.993 1.611 1.00 0.00 N ATOM 1401 CA CYS B 15 -8.968 -7.619 2.106 1.00 0.00 C ATOM 1402 C CYS B 15 -8.992 -9.003 1.520 1.00 0.00 C ATOM 1403 O CYS B 15 -7.957 -9.516 1.057 1.00 0.00 O ATOM 1404 CB CYS B 15 -10.207 -6.853 1.649 1.00 0.00 C ATOM 1405 SG CYS B 15 -11.720 -7.241 2.579 1.00 0.00 S ATOM 0 H CYS B 15 -7.361 -7.489 0.837 1.00 0.00 H new ATOM 0 HA CYS B 15 -8.965 -7.645 3.196 1.00 0.00 H new ATOM 0 HB2 CYS B 15 -10.009 -5.784 1.732 1.00 0.00 H new ATOM 0 HB3 CYS B 15 -10.380 -7.064 0.594 1.00 0.00 H new ATOM 0 HG CYS B 15 -12.394 -6.149 2.786 1.00 0.00 H new ATOM 1411 N ASP B 16 -10.138 -9.581 1.527 1.00 0.00 N ATOM 1412 CA ASP B 16 -10.380 -10.869 0.989 1.00 0.00 C ATOM 1413 C ASP B 16 -10.572 -10.713 -0.503 1.00 0.00 C ATOM 1414 O ASP B 16 -11.043 -9.656 -0.959 1.00 0.00 O ATOM 1415 CB ASP B 16 -11.661 -11.434 1.612 1.00 0.00 C ATOM 1416 CG ASP B 16 -11.599 -11.461 3.113 1.00 0.00 C ATOM 1417 OD1 ASP B 16 -11.911 -10.428 3.756 1.00 0.00 O ATOM 1418 OD2 ASP B 16 -11.209 -12.495 3.682 1.00 0.00 O ATOM 0 H ASP B 16 -10.971 -9.148 1.927 1.00 0.00 H new ATOM 0 HA ASP B 16 -9.550 -11.544 1.199 1.00 0.00 H new ATOM 0 HB2 ASP B 16 -12.513 -10.832 1.296 1.00 0.00 H new ATOM 0 HB3 ASP B 16 -11.829 -12.444 1.239 1.00 0.00 H new ATOM 1423 N PRO B 17 -10.237 -11.738 -1.304 1.00 0.00 N ATOM 1424 CA PRO B 17 -10.422 -11.704 -2.773 1.00 0.00 C ATOM 1425 C PRO B 17 -11.904 -11.552 -3.136 1.00 0.00 C ATOM 1426 O PRO B 17 -12.263 -11.146 -4.243 1.00 0.00 O ATOM 1427 CB PRO B 17 -9.872 -13.060 -3.218 1.00 0.00 C ATOM 1428 CG PRO B 17 -8.924 -13.413 -2.131 1.00 0.00 C ATOM 1429 CD PRO B 17 -9.606 -12.999 -0.881 1.00 0.00 C ATOM 0 HA PRO B 17 -9.922 -10.864 -3.254 1.00 0.00 H new ATOM 0 HB2 PRO B 17 -10.664 -13.802 -3.319 1.00 0.00 H new ATOM 0 HB3 PRO B 17 -9.371 -12.994 -4.184 1.00 0.00 H new ATOM 0 HG2 PRO B 17 -8.707 -14.481 -2.128 1.00 0.00 H new ATOM 0 HG3 PRO B 17 -7.973 -12.895 -2.252 1.00 0.00 H new ATOM 0 HD2 PRO B 17 -10.339 -13.735 -0.549 1.00 0.00 H new ATOM 0 HD3 PRO B 17 -8.905 -12.853 -0.059 1.00 0.00 H new ATOM 1437 N ALA B 18 -12.735 -11.855 -2.163 1.00 0.00 N ATOM 1438 CA ALA B 18 -14.168 -11.693 -2.222 1.00 0.00 C ATOM 1439 C ALA B 18 -14.521 -10.217 -2.457 1.00 0.00 C ATOM 1440 O ALA B 18 -15.320 -9.870 -3.371 1.00 0.00 O ATOM 1441 CB ALA B 18 -14.695 -12.122 -0.886 1.00 0.00 C ATOM 0 H ALA B 18 -12.415 -12.237 -1.273 1.00 0.00 H new ATOM 0 HA ALA B 18 -14.597 -12.280 -3.034 1.00 0.00 H new ATOM 0 HB1 ALA B 18 -15.780 -12.020 -0.873 1.00 0.00 H new ATOM 0 HB2 ALA B 18 -14.426 -13.163 -0.706 1.00 0.00 H new ATOM 0 HB3 ALA B 18 -14.262 -11.495 -0.106 1.00 0.00 H new ATOM 1447 N MET B 19 -13.876 -9.338 -1.676 1.00 0.00 N ATOM 1448 CA MET B 19 -14.059 -7.907 -1.832 1.00 0.00 C ATOM 1449 C MET B 19 -13.558 -7.492 -3.154 1.00 0.00 C ATOM 1450 O MET B 19 -14.210 -6.752 -3.875 1.00 0.00 O ATOM 1451 CB MET B 19 -13.315 -7.095 -0.760 1.00 0.00 C ATOM 1452 CG MET B 19 -12.955 -5.680 -1.256 1.00 0.00 C ATOM 1453 SD MET B 19 -12.222 -4.616 -0.015 1.00 0.00 S ATOM 1454 CE MET B 19 -13.620 -4.335 1.066 1.00 0.00 C ATOM 0 H MET B 19 -13.227 -9.602 -0.935 1.00 0.00 H new ATOM 0 HA MET B 19 -15.126 -7.709 -1.728 1.00 0.00 H new ATOM 0 HB2 MET B 19 -13.935 -7.020 0.133 1.00 0.00 H new ATOM 0 HB3 MET B 19 -12.405 -7.621 -0.473 1.00 0.00 H new ATOM 0 HG2 MET B 19 -12.263 -5.768 -2.094 1.00 0.00 H new ATOM 0 HG3 MET B 19 -13.858 -5.203 -1.637 1.00 0.00 H new ATOM 0 HE1 MET B 19 -13.355 -3.591 1.818 1.00 0.00 H new ATOM 0 HE2 MET B 19 -14.466 -3.974 0.481 1.00 0.00 H new ATOM 0 HE3 MET B 19 -13.892 -5.268 1.559 1.00 0.00 H new ATOM 1464 N LYS B 20 -12.431 -8.040 -3.481 1.00 0.00 N ATOM 1465 CA LYS B 20 -11.727 -7.743 -4.670 1.00 0.00 C ATOM 1466 C LYS B 20 -12.621 -7.980 -5.896 1.00 0.00 C ATOM 1467 O LYS B 20 -12.673 -7.135 -6.790 1.00 0.00 O ATOM 1468 CB LYS B 20 -10.426 -8.572 -4.648 1.00 0.00 C ATOM 1469 CG LYS B 20 -9.578 -8.647 -5.902 1.00 0.00 C ATOM 1470 CD LYS B 20 -9.225 -7.306 -6.497 1.00 0.00 C ATOM 1471 CE LYS B 20 -9.962 -7.130 -7.789 1.00 0.00 C ATOM 1472 NZ LYS B 20 -9.771 -5.802 -8.362 1.00 0.00 N ATOM 0 H LYS B 20 -11.964 -8.734 -2.897 1.00 0.00 H new ATOM 0 HA LYS B 20 -11.450 -6.691 -4.737 1.00 0.00 H new ATOM 0 HB2 LYS B 20 -9.798 -8.176 -3.850 1.00 0.00 H new ATOM 0 HB3 LYS B 20 -10.691 -9.592 -4.369 1.00 0.00 H new ATOM 0 HG2 LYS B 20 -8.657 -9.182 -5.672 1.00 0.00 H new ATOM 0 HG3 LYS B 20 -10.109 -9.234 -6.651 1.00 0.00 H new ATOM 0 HD2 LYS B 20 -9.487 -6.507 -5.804 1.00 0.00 H new ATOM 0 HD3 LYS B 20 -8.150 -7.242 -6.666 1.00 0.00 H new ATOM 0 HE2 LYS B 20 -9.625 -7.882 -8.502 1.00 0.00 H new ATOM 0 HE3 LYS B 20 -11.026 -7.302 -7.624 1.00 0.00 H new ATOM 0 HZ1 LYS B 20 -9.679 -5.880 -9.395 1.00 0.00 H new ATOM 0 HZ2 LYS B 20 -10.590 -5.203 -8.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 20 -8.908 -5.375 -7.969 1.00 0.00 H new ATOM 1486 N GLN B 21 -13.393 -9.035 -5.898 1.00 0.00 N ATOM 1487 CA GLN B 21 -14.254 -9.278 -7.033 1.00 0.00 C ATOM 1488 C GLN B 21 -15.423 -8.284 -7.118 1.00 0.00 C ATOM 1489 O GLN B 21 -15.728 -7.795 -8.204 1.00 0.00 O ATOM 1490 CB GLN B 21 -14.722 -10.709 -7.117 1.00 0.00 C ATOM 1491 CG GLN B 21 -13.590 -11.723 -7.208 1.00 0.00 C ATOM 1492 CD GLN B 21 -12.553 -11.432 -8.274 1.00 0.00 C ATOM 1493 OE1 GLN B 21 -11.460 -10.855 -7.866 1.00 0.00 O flip ATOM 1494 NE2 GLN B 21 -12.702 -11.807 -9.439 1.00 0.00 N flip ATOM 0 H GLN B 21 -13.447 -9.726 -5.149 1.00 0.00 H new ATOM 0 HA GLN B 21 -13.634 -9.103 -7.912 1.00 0.00 H new ATOM 0 HB2 GLN B 21 -15.329 -10.935 -6.240 1.00 0.00 H new ATOM 0 HB3 GLN B 21 -15.367 -10.820 -7.989 1.00 0.00 H new ATOM 0 HG2 GLN B 21 -13.090 -11.775 -6.241 1.00 0.00 H new ATOM 0 HG3 GLN B 21 -14.018 -12.707 -7.398 1.00 0.00 H new ATOM 0 HE21 GLN B 21 -13.573 -12.256 -9.723 1.00 0.00 H new ATOM 0 HE22 GLN B 21 -11.954 -11.669 -10.119 1.00 0.00 H new ATOM 1503 N PHE B 22 -16.057 -7.935 -5.986 1.00 0.00 N ATOM 1504 CA PHE B 22 -17.140 -6.929 -6.079 1.00 0.00 C ATOM 1505 C PHE B 22 -16.561 -5.557 -6.452 1.00 0.00 C ATOM 1506 O PHE B 22 -17.169 -4.789 -7.165 1.00 0.00 O ATOM 1507 CB PHE B 22 -18.117 -6.861 -4.852 1.00 0.00 C ATOM 1508 CG PHE B 22 -17.633 -6.208 -3.567 1.00 0.00 C ATOM 1509 CD1 PHE B 22 -17.532 -4.821 -3.466 1.00 0.00 C ATOM 1510 CD2 PHE B 22 -17.341 -6.968 -2.451 1.00 0.00 C ATOM 1511 CE1 PHE B 22 -17.142 -4.219 -2.289 1.00 0.00 C ATOM 1512 CE2 PHE B 22 -16.946 -6.364 -1.268 1.00 0.00 C ATOM 1513 CZ PHE B 22 -16.846 -4.991 -1.189 1.00 0.00 C ATOM 0 H PHE B 22 -15.862 -8.301 -5.054 1.00 0.00 H new ATOM 0 HA PHE B 22 -17.790 -7.274 -6.883 1.00 0.00 H new ATOM 0 HB2 PHE B 22 -19.014 -6.332 -5.173 1.00 0.00 H new ATOM 0 HB3 PHE B 22 -18.417 -7.881 -4.612 1.00 0.00 H new ATOM 0 HD1 PHE B 22 -17.763 -4.208 -4.325 1.00 0.00 H new ATOM 0 HD2 PHE B 22 -17.421 -8.044 -2.501 1.00 0.00 H new ATOM 0 HE1 PHE B 22 -17.069 -3.143 -2.230 1.00 0.00 H new ATOM 0 HE2 PHE B 22 -16.716 -6.971 -0.405 1.00 0.00 H new ATOM 0 HZ PHE B 22 -16.536 -4.523 -0.266 1.00 0.00 H new ATOM 1523 N LEU B 23 -15.366 -5.303 -5.958 1.00 0.00 N ATOM 1524 CA LEU B 23 -14.609 -4.099 -6.161 1.00 0.00 C ATOM 1525 C LEU B 23 -14.336 -3.896 -7.648 1.00 0.00 C ATOM 1526 O LEU B 23 -14.530 -2.807 -8.172 1.00 0.00 O ATOM 1527 CB LEU B 23 -13.317 -4.307 -5.379 1.00 0.00 C ATOM 1528 CG LEU B 23 -12.573 -3.119 -4.826 1.00 0.00 C ATOM 1529 CD1 LEU B 23 -13.484 -2.298 -3.917 1.00 0.00 C ATOM 1530 CD2 LEU B 23 -11.424 -3.640 -4.008 1.00 0.00 C ATOM 0 H LEU B 23 -14.874 -5.976 -5.370 1.00 0.00 H new ATOM 0 HA LEU B 23 -15.138 -3.208 -5.822 1.00 0.00 H new ATOM 0 HB2 LEU B 23 -13.547 -4.964 -4.541 1.00 0.00 H new ATOM 0 HB3 LEU B 23 -12.628 -4.848 -6.028 1.00 0.00 H new ATOM 0 HG LEU B 23 -12.227 -2.487 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU B 23 -12.932 -1.443 -3.525 1.00 0.00 H new ATOM 0 HD12 LEU B 23 -14.344 -1.945 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU B 23 -13.827 -2.919 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU B 23 -10.864 -2.802 -3.593 1.00 0.00 H new ATOM 0 HD22 LEU B 23 -11.806 -4.259 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU B 23 -10.768 -4.237 -4.641 1.00 0.00 H new ATOM 1542 N LEU B 24 -13.912 -4.938 -8.329 1.00 0.00 N ATOM 1543 CA LEU B 24 -13.686 -4.834 -9.761 1.00 0.00 C ATOM 1544 C LEU B 24 -15.002 -4.652 -10.529 1.00 0.00 C ATOM 1545 O LEU B 24 -15.058 -3.915 -11.517 1.00 0.00 O ATOM 1546 CB LEU B 24 -12.823 -5.993 -10.285 1.00 0.00 C ATOM 1547 CG LEU B 24 -13.334 -7.417 -10.093 1.00 0.00 C ATOM 1548 CD1 LEU B 24 -14.241 -7.856 -11.186 1.00 0.00 C ATOM 1549 CD2 LEU B 24 -12.208 -8.361 -9.961 1.00 0.00 C ATOM 0 H LEU B 24 -13.718 -5.855 -7.926 1.00 0.00 H new ATOM 0 HA LEU B 24 -13.108 -3.929 -9.945 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -12.668 -5.836 -11.352 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -11.846 -5.923 -9.807 1.00 0.00 H new ATOM 0 HG LEU B 24 -13.917 -7.415 -9.172 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -14.573 -8.877 -10.996 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -15.107 -7.195 -11.228 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -13.709 -7.819 -12.137 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -12.594 -9.371 -9.825 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -11.596 -8.325 -10.862 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -11.601 -8.085 -9.099 1.00 0.00 H new ATOM 1561 N TYR B 25 -16.060 -5.298 -10.050 1.00 0.00 N ATOM 1562 CA TYR B 25 -17.369 -5.191 -10.672 1.00 0.00 C ATOM 1563 C TYR B 25 -17.938 -3.784 -10.507 1.00 0.00 C ATOM 1564 O TYR B 25 -18.596 -3.244 -11.408 1.00 0.00 O ATOM 1565 CB TYR B 25 -18.347 -6.233 -10.115 1.00 0.00 C ATOM 1566 CG TYR B 25 -19.752 -6.105 -10.680 1.00 0.00 C ATOM 1567 CD1 TYR B 25 -20.051 -6.538 -11.961 1.00 0.00 C ATOM 1568 CD2 TYR B 25 -20.770 -5.539 -9.929 1.00 0.00 C ATOM 1569 CE1 TYR B 25 -21.324 -6.413 -12.478 1.00 0.00 C ATOM 1570 CE2 TYR B 25 -22.041 -5.412 -10.438 1.00 0.00 C ATOM 1571 CZ TYR B 25 -22.315 -5.850 -11.711 1.00 0.00 C ATOM 1572 OH TYR B 25 -23.592 -5.715 -12.221 1.00 0.00 O ATOM 0 H TYR B 25 -16.033 -5.903 -9.229 1.00 0.00 H new ATOM 0 HA TYR B 25 -17.239 -5.390 -11.736 1.00 0.00 H new ATOM 0 HB2 TYR B 25 -17.966 -7.231 -10.332 1.00 0.00 H new ATOM 0 HB3 TYR B 25 -18.390 -6.137 -9.030 1.00 0.00 H new ATOM 0 HD1 TYR B 25 -19.274 -6.981 -12.566 1.00 0.00 H new ATOM 0 HD2 TYR B 25 -20.562 -5.192 -8.928 1.00 0.00 H new ATOM 0 HE1 TYR B 25 -21.540 -6.756 -13.479 1.00 0.00 H new ATOM 0 HE2 TYR B 25 -22.822 -4.969 -9.838 1.00 0.00 H new ATOM 0 HH TYR B 25 -24.171 -5.299 -11.548 1.00 0.00 H new ATOM 1582 N LEU B 26 -17.708 -3.205 -9.361 1.00 0.00 N ATOM 1583 CA LEU B 26 -18.177 -1.881 -9.077 1.00 0.00 C ATOM 1584 C LEU B 26 -17.432 -0.877 -9.967 1.00 0.00 C ATOM 1585 O LEU B 26 -17.981 0.119 -10.355 1.00 0.00 O ATOM 1586 CB LEU B 26 -18.103 -1.563 -7.562 1.00 0.00 C ATOM 1587 CG LEU B 26 -19.084 -0.487 -7.006 1.00 0.00 C ATOM 1588 CD1 LEU B 26 -18.773 0.914 -7.500 1.00 0.00 C ATOM 1589 CD2 LEU B 26 -20.520 -0.863 -7.340 1.00 0.00 C ATOM 0 H LEU B 26 -17.189 -3.640 -8.598 1.00 0.00 H new ATOM 0 HA LEU B 26 -19.236 -1.802 -9.322 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -18.274 -2.490 -7.015 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -17.087 -1.242 -7.335 1.00 0.00 H new ATOM 0 HG LEU B 26 -18.953 -0.470 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -19.491 1.617 -7.077 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -17.766 1.194 -7.190 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -18.838 0.939 -8.588 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -21.196 -0.104 -6.946 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -20.637 -0.927 -8.422 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -20.757 -1.828 -6.891 1.00 0.00 H new ATOM 1601 N ASP B 27 -16.185 -1.164 -10.282 1.00 0.00 N ATOM 1602 CA ASP B 27 -15.413 -0.332 -11.225 1.00 0.00 C ATOM 1603 C ASP B 27 -16.033 -0.337 -12.613 1.00 0.00 C ATOM 1604 O ASP B 27 -16.178 0.715 -13.248 1.00 0.00 O ATOM 1605 CB ASP B 27 -13.990 -0.827 -11.339 1.00 0.00 C ATOM 1606 CG ASP B 27 -13.194 -0.114 -12.429 1.00 0.00 C ATOM 1607 OD1 ASP B 27 -12.840 1.079 -12.264 1.00 0.00 O ATOM 1608 OD2 ASP B 27 -12.900 -0.744 -13.482 1.00 0.00 O ATOM 0 H ASP B 27 -15.672 -1.962 -9.907 1.00 0.00 H new ATOM 0 HA ASP B 27 -15.425 0.683 -10.828 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -13.487 -0.691 -10.382 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -13.999 -1.897 -11.545 1.00 0.00 H new ATOM 1613 N GLU B 28 -16.406 -1.516 -13.085 1.00 0.00 N ATOM 1614 CA GLU B 28 -16.966 -1.638 -14.412 1.00 0.00 C ATOM 1615 C GLU B 28 -18.375 -1.068 -14.489 1.00 0.00 C ATOM 1616 O GLU B 28 -18.760 -0.491 -15.505 1.00 0.00 O ATOM 1617 CB GLU B 28 -16.859 -3.064 -14.962 1.00 0.00 C ATOM 1618 CG GLU B 28 -17.548 -4.135 -14.160 1.00 0.00 C ATOM 1619 CD GLU B 28 -17.271 -5.511 -14.703 1.00 0.00 C ATOM 1620 OE1 GLU B 28 -18.029 -5.987 -15.570 1.00 0.00 O ATOM 1621 OE2 GLU B 28 -16.276 -6.141 -14.284 1.00 0.00 O ATOM 0 H GLU B 28 -16.330 -2.393 -12.570 1.00 0.00 H new ATOM 0 HA GLU B 28 -16.356 -1.024 -15.074 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -17.269 -3.074 -15.972 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -15.803 -3.322 -15.044 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -17.217 -4.081 -13.123 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -18.623 -3.954 -14.161 1.00 0.00 H new ATOM 1628 N SER B 29 -19.122 -1.183 -13.411 1.00 0.00 N ATOM 1629 CA SER B 29 -20.429 -0.583 -13.358 1.00 0.00 C ATOM 1630 C SER B 29 -20.291 0.936 -13.123 1.00 0.00 C ATOM 1631 O SER B 29 -21.025 1.750 -13.697 1.00 0.00 O ATOM 1632 CB SER B 29 -21.279 -1.265 -12.277 1.00 0.00 C ATOM 1633 OG SER B 29 -20.559 -1.380 -11.063 1.00 0.00 O ATOM 0 H SER B 29 -18.845 -1.684 -12.567 1.00 0.00 H new ATOM 0 HA SER B 29 -20.944 -0.726 -14.308 1.00 0.00 H new ATOM 0 HB2 SER B 29 -22.191 -0.691 -12.110 1.00 0.00 H new ATOM 0 HB3 SER B 29 -21.583 -2.254 -12.619 1.00 0.00 H new ATOM 0 HG SER B 29 -19.946 -2.143 -11.117 1.00 0.00 H new ATOM 1639 N ASN B 30 -19.300 1.276 -12.304 1.00 0.00 N ATOM 1640 CA ASN B 30 -18.923 2.642 -11.909 1.00 0.00 C ATOM 1641 C ASN B 30 -20.110 3.350 -11.282 1.00 0.00 C ATOM 1642 O ASN B 30 -20.427 4.495 -11.587 1.00 0.00 O ATOM 1643 CB ASN B 30 -18.305 3.436 -13.085 1.00 0.00 C ATOM 1644 CG ASN B 30 -17.692 4.766 -12.653 1.00 0.00 C ATOM 1645 OD1 ASN B 30 -17.253 4.915 -11.517 1.00 0.00 O ATOM 1646 ND2 ASN B 30 -17.643 5.720 -13.552 1.00 0.00 N ATOM 0 H ASN B 30 -18.702 0.572 -11.871 1.00 0.00 H new ATOM 0 HA ASN B 30 -18.139 2.579 -11.154 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -17.538 2.827 -13.563 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -19.075 3.624 -13.833 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -17.230 6.622 -13.316 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -18.018 5.560 -14.487 1.00 0.00 H new ATOM 1653 N ALA B 31 -20.736 2.655 -10.345 1.00 0.00 N ATOM 1654 CA ALA B 31 -21.950 3.138 -9.675 1.00 0.00 C ATOM 1655 C ALA B 31 -21.748 4.371 -8.847 1.00 0.00 C ATOM 1656 O ALA B 31 -22.682 5.138 -8.601 1.00 0.00 O ATOM 1657 CB ALA B 31 -22.700 2.035 -8.954 1.00 0.00 C ATOM 0 H ALA B 31 -20.423 1.739 -10.022 1.00 0.00 H new ATOM 0 HA ALA B 31 -22.607 3.467 -10.480 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -23.588 2.450 -8.477 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -22.997 1.269 -9.670 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -22.055 1.592 -8.195 1.00 0.00 H new ATOM 1663 N LEU B 32 -20.569 4.565 -8.455 1.00 0.00 N ATOM 1664 CA LEU B 32 -20.220 5.681 -7.664 1.00 0.00 C ATOM 1665 C LEU B 32 -19.827 6.880 -8.541 1.00 0.00 C ATOM 1666 O LEU B 32 -19.842 8.024 -8.094 1.00 0.00 O ATOM 1667 CB LEU B 32 -19.075 5.237 -6.845 1.00 0.00 C ATOM 1668 CG LEU B 32 -18.365 6.252 -6.021 1.00 0.00 C ATOM 1669 CD1 LEU B 32 -19.252 6.805 -4.917 1.00 0.00 C ATOM 1670 CD2 LEU B 32 -17.182 5.578 -5.488 1.00 0.00 C ATOM 0 H LEU B 32 -19.789 3.945 -8.673 1.00 0.00 H new ATOM 0 HA LEU B 32 -21.057 6.013 -7.049 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -19.429 4.453 -6.176 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -18.345 4.780 -7.513 1.00 0.00 H new ATOM 0 HG LEU B 32 -18.085 7.120 -6.618 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -18.696 7.543 -4.339 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -20.130 7.277 -5.358 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -19.567 5.993 -4.262 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -16.614 6.274 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -17.491 4.725 -4.884 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -16.558 5.232 -6.312 1.00 0.00 H new ATOM 1682 N GLY B 33 -19.503 6.612 -9.786 1.00 0.00 N ATOM 1683 CA GLY B 33 -19.087 7.667 -10.682 1.00 0.00 C ATOM 1684 C GLY B 33 -17.656 8.085 -10.441 1.00 0.00 C ATOM 1685 O GLY B 33 -17.201 9.080 -10.973 1.00 0.00 O ATOM 0 H GLY B 33 -19.519 5.679 -10.199 1.00 0.00 H new ATOM 0 HA2 GLY B 33 -19.197 7.331 -11.713 1.00 0.00 H new ATOM 0 HA3 GLY B 33 -19.742 8.529 -10.556 1.00 0.00 H new ATOM 1689 N LYS B 34 -16.964 7.325 -9.630 1.00 0.00 N ATOM 1690 CA LYS B 34 -15.581 7.561 -9.302 1.00 0.00 C ATOM 1691 C LYS B 34 -14.855 6.261 -9.442 1.00 0.00 C ATOM 1692 O LYS B 34 -15.338 5.219 -8.979 1.00 0.00 O ATOM 1693 CB LYS B 34 -15.398 8.040 -7.855 1.00 0.00 C ATOM 1694 CG LYS B 34 -15.943 9.428 -7.460 1.00 0.00 C ATOM 1695 CD LYS B 34 -15.106 10.595 -8.007 1.00 0.00 C ATOM 1696 CE LYS B 34 -15.516 11.033 -9.404 1.00 0.00 C ATOM 1697 NZ LYS B 34 -16.888 11.589 -9.431 1.00 0.00 N ATOM 0 H LYS B 34 -17.357 6.505 -9.168 1.00 0.00 H new ATOM 0 HA LYS B 34 -15.200 8.335 -9.969 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -15.865 7.303 -7.201 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -14.330 8.029 -7.636 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -16.966 9.524 -7.823 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -15.982 9.498 -6.373 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -15.193 11.444 -7.329 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -14.056 10.304 -8.020 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -14.814 11.782 -9.770 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -15.456 10.182 -10.083 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -17.508 10.956 -9.975 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -17.247 11.674 -8.459 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -16.873 12.528 -9.878 1.00 0.00 H new ATOM 1711 N LYS B 35 -13.709 6.305 -10.036 1.00 0.00 N ATOM 1712 CA LYS B 35 -12.936 5.117 -10.221 1.00 0.00 C ATOM 1713 C LYS B 35 -11.942 5.005 -9.102 1.00 0.00 C ATOM 1714 O LYS B 35 -10.878 5.626 -9.105 1.00 0.00 O ATOM 1715 CB LYS B 35 -12.279 5.069 -11.598 1.00 0.00 C ATOM 1716 CG LYS B 35 -13.288 5.114 -12.738 1.00 0.00 C ATOM 1717 CD LYS B 35 -12.623 5.123 -14.103 1.00 0.00 C ATOM 1718 CE LYS B 35 -11.891 3.823 -14.414 1.00 0.00 C ATOM 1719 NZ LYS B 35 -12.794 2.644 -14.418 1.00 0.00 N ATOM 0 H LYS B 35 -13.283 7.155 -10.405 1.00 0.00 H new ATOM 0 HA LYS B 35 -13.596 4.250 -10.189 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -11.590 5.908 -11.696 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -11.686 4.158 -11.680 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -13.951 4.252 -12.666 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -13.909 6.004 -12.634 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -13.378 5.301 -14.868 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -11.917 5.952 -14.152 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -11.406 3.907 -15.387 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -11.103 3.669 -13.677 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -12.511 1.993 -15.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -12.731 2.156 -13.502 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -13.773 2.957 -14.577 1.00 0.00 H new ATOM 1733 N PHE B 36 -12.328 4.242 -8.138 1.00 0.00 N ATOM 1734 CA PHE B 36 -11.586 4.051 -6.923 1.00 0.00 C ATOM 1735 C PHE B 36 -10.387 3.155 -7.147 1.00 0.00 C ATOM 1736 O PHE B 36 -9.277 3.505 -6.784 1.00 0.00 O ATOM 1737 CB PHE B 36 -12.531 3.493 -5.818 1.00 0.00 C ATOM 1738 CG PHE B 36 -13.328 2.288 -6.263 1.00 0.00 C ATOM 1739 CD1 PHE B 36 -14.469 2.454 -7.030 1.00 0.00 C ATOM 1740 CD2 PHE B 36 -12.917 1.003 -5.962 1.00 0.00 C ATOM 1741 CE1 PHE B 36 -15.175 1.376 -7.482 1.00 0.00 C ATOM 1742 CE2 PHE B 36 -13.622 -0.071 -6.422 1.00 0.00 C ATOM 1743 CZ PHE B 36 -14.747 0.113 -7.180 1.00 0.00 C ATOM 0 H PHE B 36 -13.199 3.712 -8.168 1.00 0.00 H new ATOM 0 HA PHE B 36 -11.196 5.012 -6.589 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -11.937 3.224 -4.944 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -13.218 4.280 -5.507 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -14.805 3.451 -7.274 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -12.034 0.848 -5.360 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -16.066 1.520 -8.075 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -13.291 -1.072 -6.187 1.00 0.00 H new ATOM 0 HZ PHE B 36 -15.299 -0.743 -7.541 1.00 0.00 H new ATOM 1753 N ILE B 37 -10.610 2.050 -7.790 1.00 0.00 N ATOM 1754 CA ILE B 37 -9.574 1.100 -8.043 1.00 0.00 C ATOM 1755 C ILE B 37 -8.690 1.627 -9.167 1.00 0.00 C ATOM 1756 O ILE B 37 -9.137 1.831 -10.300 1.00 0.00 O ATOM 1757 CB ILE B 37 -10.198 -0.352 -8.298 1.00 0.00 C ATOM 1758 CG1 ILE B 37 -9.196 -1.499 -8.608 1.00 0.00 C ATOM 1759 CG2 ILE B 37 -11.301 -0.345 -9.297 1.00 0.00 C ATOM 1760 CD1 ILE B 37 -8.473 -1.430 -9.949 1.00 0.00 C ATOM 0 H ILE B 37 -11.523 1.781 -8.156 1.00 0.00 H new ATOM 0 HA ILE B 37 -8.928 0.975 -7.174 1.00 0.00 H new ATOM 0 HB ILE B 37 -10.603 -0.592 -7.315 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -8.446 -1.519 -7.817 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -9.735 -2.445 -8.560 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -11.682 -1.358 -9.426 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -12.105 0.303 -8.947 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -10.926 0.025 -10.251 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -7.804 -2.285 -10.046 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -9.204 -1.448 -10.758 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -7.894 -0.508 -10.003 1.00 0.00 H new ATOM 1772 N ILE B 38 -7.482 1.954 -8.811 1.00 0.00 N ATOM 1773 CA ILE B 38 -6.498 2.398 -9.760 1.00 0.00 C ATOM 1774 C ILE B 38 -5.762 1.201 -10.286 1.00 0.00 C ATOM 1775 O ILE B 38 -5.709 0.960 -11.491 1.00 0.00 O ATOM 1776 CB ILE B 38 -5.502 3.382 -9.106 1.00 0.00 C ATOM 1777 CG1 ILE B 38 -6.187 4.722 -8.804 1.00 0.00 C ATOM 1778 CG2 ILE B 38 -4.247 3.552 -9.963 1.00 0.00 C ATOM 1779 CD1 ILE B 38 -5.298 5.731 -8.115 1.00 0.00 C ATOM 0 H ILE B 38 -7.148 1.921 -7.848 1.00 0.00 H new ATOM 0 HA ILE B 38 -6.999 2.921 -10.575 1.00 0.00 H new ATOM 0 HB ILE B 38 -5.175 2.962 -8.155 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -6.548 5.151 -9.739 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -7.061 4.538 -8.179 1.00 0.00 H new ATOM 0 HG21 ILE B 38 -3.566 4.250 -9.476 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -3.754 2.587 -10.082 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -4.525 3.940 -10.943 1.00 0.00 H new ATOM 0 HD11 ILE B 38 -5.859 6.649 -7.938 1.00 0.00 H new ATOM 0 HD12 ILE B 38 -4.957 5.325 -7.163 1.00 0.00 H new ATOM 0 HD13 ILE B 38 -4.436 5.948 -8.746 1.00 0.00 H new ATOM 1791 N GLN B 39 -5.231 0.427 -9.388 1.00 0.00 N ATOM 1792 CA GLN B 39 -4.600 -0.774 -9.767 1.00 0.00 C ATOM 1793 C GLN B 39 -5.033 -1.866 -8.891 1.00 0.00 C ATOM 1794 O GLN B 39 -5.151 -1.693 -7.664 1.00 0.00 O ATOM 1795 CB GLN B 39 -3.051 -0.710 -9.866 1.00 0.00 C ATOM 1796 CG GLN B 39 -2.305 -0.357 -8.601 1.00 0.00 C ATOM 1797 CD GLN B 39 -0.819 -0.738 -8.683 1.00 0.00 C ATOM 1798 OE1 GLN B 39 0.011 0.058 -9.107 1.00 0.00 O ATOM 1799 NE2 GLN B 39 -0.488 -1.970 -8.304 1.00 0.00 N ATOM 0 H GLN B 39 -5.229 0.618 -8.386 1.00 0.00 H new ATOM 0 HA GLN B 39 -4.923 -0.963 -10.791 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -2.692 -1.679 -10.214 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -2.789 0.021 -10.631 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -2.395 0.713 -8.414 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -2.764 -0.868 -7.755 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -1.205 -2.606 -7.956 1.00 0.00 H new ATOM 0 HE22 GLN B 39 0.483 -2.278 -8.362 1.00 0.00 H new ATOM 1808 N ASP B 40 -5.362 -2.959 -9.493 1.00 0.00 N ATOM 1809 CA ASP B 40 -5.623 -4.120 -8.752 1.00 0.00 C ATOM 1810 C ASP B 40 -4.266 -4.703 -8.518 1.00 0.00 C ATOM 1811 O ASP B 40 -3.562 -5.121 -9.435 1.00 0.00 O ATOM 1812 CB ASP B 40 -6.613 -5.091 -9.447 1.00 0.00 C ATOM 1813 CG ASP B 40 -6.077 -5.830 -10.656 1.00 0.00 C ATOM 1814 OD1 ASP B 40 -6.054 -5.257 -11.765 1.00 0.00 O ATOM 1815 OD2 ASP B 40 -5.703 -7.005 -10.511 1.00 0.00 O ATOM 0 H ASP B 40 -5.454 -3.061 -10.504 1.00 0.00 H new ATOM 0 HA ASP B 40 -6.142 -3.906 -7.818 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -6.945 -5.826 -8.714 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -7.493 -4.525 -9.752 1.00 0.00 H new ATOM 1820 N ILE B 41 -3.851 -4.605 -7.316 1.00 0.00 N ATOM 1821 CA ILE B 41 -2.530 -4.931 -6.959 1.00 0.00 C ATOM 1822 C ILE B 41 -2.406 -6.436 -6.983 1.00 0.00 C ATOM 1823 O ILE B 41 -3.312 -7.163 -6.543 1.00 0.00 O ATOM 1824 CB ILE B 41 -2.137 -4.310 -5.597 1.00 0.00 C ATOM 1825 CG1 ILE B 41 -2.873 -2.988 -5.408 1.00 0.00 C ATOM 1826 CG2 ILE B 41 -0.641 -4.018 -5.580 1.00 0.00 C ATOM 1827 CD1 ILE B 41 -2.584 -2.301 -4.111 1.00 0.00 C ATOM 0 H ILE B 41 -4.431 -4.290 -6.538 1.00 0.00 H new ATOM 0 HA ILE B 41 -1.825 -4.506 -7.673 1.00 0.00 H new ATOM 0 HB ILE B 41 -2.398 -5.010 -4.803 1.00 0.00 H new ATOM 0 HG12 ILE B 41 -2.609 -2.319 -6.227 1.00 0.00 H new ATOM 0 HG13 ILE B 41 -3.945 -3.170 -5.478 1.00 0.00 H new ATOM 0 HG21 ILE B 41 -0.367 -3.581 -4.620 1.00 0.00 H new ATOM 0 HG22 ILE B 41 -0.088 -4.945 -5.728 1.00 0.00 H new ATOM 0 HG23 ILE B 41 -0.398 -3.319 -6.380 1.00 0.00 H new ATOM 0 HD11 ILE B 41 -3.148 -1.370 -4.059 1.00 0.00 H new ATOM 0 HD12 ILE B 41 -2.875 -2.948 -3.284 1.00 0.00 H new ATOM 0 HD13 ILE B 41 -1.518 -2.084 -4.044 1.00 0.00 H new ATOM 1839 N ASP B 42 -1.291 -6.861 -7.442 1.00 0.00 N ATOM 1840 CA ASP B 42 -1.021 -8.238 -7.891 1.00 0.00 C ATOM 1841 C ASP B 42 -1.022 -9.241 -6.745 1.00 0.00 C ATOM 1842 O ASP B 42 -1.022 -10.465 -6.939 1.00 0.00 O ATOM 1843 CB ASP B 42 0.297 -8.241 -8.665 1.00 0.00 C ATOM 1844 CG ASP B 42 0.603 -9.548 -9.319 1.00 0.00 C ATOM 1845 OD1 ASP B 42 -0.248 -10.051 -10.085 1.00 0.00 O ATOM 1846 OD2 ASP B 42 1.696 -10.091 -9.085 1.00 0.00 O ATOM 0 H ASP B 42 -0.477 -6.253 -7.533 1.00 0.00 H new ATOM 0 HA ASP B 42 -1.828 -8.564 -8.547 1.00 0.00 H new ATOM 0 HB2 ASP B 42 0.263 -7.462 -9.427 1.00 0.00 H new ATOM 0 HB3 ASP B 42 1.109 -7.986 -7.984 1.00 0.00 H new ATOM 1851 N ASP B 43 -1.007 -8.701 -5.579 1.00 0.00 N ATOM 1852 CA ASP B 43 -1.122 -9.400 -4.336 1.00 0.00 C ATOM 1853 C ASP B 43 -2.442 -10.168 -4.323 1.00 0.00 C ATOM 1854 O ASP B 43 -2.474 -11.395 -4.312 1.00 0.00 O ATOM 1855 CB ASP B 43 -1.288 -8.377 -3.187 1.00 0.00 C ATOM 1856 CG ASP B 43 -0.422 -7.141 -3.194 1.00 0.00 C ATOM 1857 OD1 ASP B 43 -0.021 -6.691 -4.277 1.00 0.00 O ATOM 1858 OD2 ASP B 43 -0.269 -6.545 -2.136 1.00 0.00 O ATOM 0 H ASP B 43 -0.908 -7.694 -5.453 1.00 0.00 H new ATOM 0 HA ASP B 43 -0.245 -10.037 -4.220 1.00 0.00 H new ATOM 0 HB2 ASP B 43 -2.329 -8.053 -3.179 1.00 0.00 H new ATOM 0 HB3 ASP B 43 -1.110 -8.901 -2.248 1.00 0.00 H new ATOM 1863 N THR B 44 -3.506 -9.365 -4.458 1.00 0.00 N ATOM 1864 CA THR B 44 -4.934 -9.668 -4.195 1.00 0.00 C ATOM 1865 C THR B 44 -5.586 -8.308 -3.754 1.00 0.00 C ATOM 1866 O THR B 44 -6.782 -8.194 -3.495 1.00 0.00 O ATOM 1867 CB THR B 44 -5.058 -10.755 -3.012 1.00 0.00 C ATOM 1868 OG1 THR B 44 -4.825 -12.077 -3.513 1.00 0.00 O ATOM 1869 CG2 THR B 44 -6.374 -10.734 -2.197 1.00 0.00 C ATOM 0 H THR B 44 -3.389 -8.405 -4.781 1.00 0.00 H new ATOM 0 HA THR B 44 -5.428 -10.083 -5.074 1.00 0.00 H new ATOM 0 HB THR B 44 -4.284 -10.458 -2.305 1.00 0.00 H new ATOM 0 HG1 THR B 44 -3.869 -12.196 -3.690 1.00 0.00 H new ATOM 0 HG21 THR B 44 -6.340 -11.509 -1.431 1.00 0.00 H new ATOM 0 HG22 THR B 44 -6.493 -9.760 -1.722 1.00 0.00 H new ATOM 0 HG23 THR B 44 -7.217 -10.918 -2.863 1.00 0.00 H new ATOM 1877 N HIS B 45 -4.782 -7.242 -3.774 1.00 0.00 N ATOM 1878 CA HIS B 45 -5.172 -6.010 -3.100 1.00 0.00 C ATOM 1879 C HIS B 45 -5.646 -5.016 -4.104 1.00 0.00 C ATOM 1880 O HIS B 45 -5.567 -5.258 -5.292 1.00 0.00 O ATOM 1881 CB HIS B 45 -3.973 -5.442 -2.311 1.00 0.00 C ATOM 1882 CG HIS B 45 -3.486 -6.353 -1.211 1.00 0.00 C ATOM 1883 ND1 HIS B 45 -2.766 -5.928 -0.150 1.00 0.00 N ATOM 1884 CD2 HIS B 45 -3.605 -7.694 -1.051 1.00 0.00 C ATOM 1885 CE1 HIS B 45 -2.473 -6.961 0.608 1.00 0.00 C ATOM 1886 NE2 HIS B 45 -2.961 -8.039 0.071 1.00 0.00 N ATOM 0 H HIS B 45 -3.876 -7.209 -4.241 1.00 0.00 H new ATOM 0 HA HIS B 45 -5.982 -6.222 -2.403 1.00 0.00 H new ATOM 0 HB2 HIS B 45 -3.152 -5.250 -3.002 1.00 0.00 H new ATOM 0 HB3 HIS B 45 -4.256 -4.483 -1.878 1.00 0.00 H new ATOM 0 HD2 HIS B 45 -4.128 -8.367 -1.714 1.00 0.00 H new ATOM 0 HE1 HIS B 45 -1.915 -6.920 1.532 1.00 0.00 H new ATOM 0 HE2 HIS B 45 -2.869 -8.985 0.441 1.00 0.00 H new ATOM 1895 N VAL B 46 -6.163 -3.933 -3.656 1.00 0.00 N ATOM 1896 CA VAL B 46 -6.586 -2.887 -4.535 1.00 0.00 C ATOM 1897 C VAL B 46 -6.018 -1.575 -4.094 1.00 0.00 C ATOM 1898 O VAL B 46 -5.766 -1.366 -2.907 1.00 0.00 O ATOM 1899 CB VAL B 46 -8.140 -2.858 -4.712 1.00 0.00 C ATOM 1900 CG1 VAL B 46 -8.684 -1.469 -5.064 1.00 0.00 C ATOM 1901 CG2 VAL B 46 -8.517 -3.833 -5.812 1.00 0.00 C ATOM 0 H VAL B 46 -6.309 -3.738 -2.666 1.00 0.00 H new ATOM 0 HA VAL B 46 -6.189 -3.092 -5.529 1.00 0.00 H new ATOM 0 HB VAL B 46 -8.583 -3.137 -3.756 1.00 0.00 H new ATOM 0 HG11 VAL B 46 -9.767 -1.519 -5.173 1.00 0.00 H new ATOM 0 HG12 VAL B 46 -8.431 -0.767 -4.269 1.00 0.00 H new ATOM 0 HG13 VAL B 46 -8.241 -1.131 -6.001 1.00 0.00 H new ATOM 0 HG21 VAL B 46 -9.598 -3.826 -5.949 1.00 0.00 H new ATOM 0 HG22 VAL B 46 -8.031 -3.538 -6.742 1.00 0.00 H new ATOM 0 HG23 VAL B 46 -8.193 -4.836 -5.536 1.00 0.00 H new ATOM 1911 N PHE B 47 -5.696 -0.757 -5.043 1.00 0.00 N ATOM 1912 CA PHE B 47 -5.224 0.531 -4.754 1.00 0.00 C ATOM 1913 C PHE B 47 -6.306 1.520 -5.085 1.00 0.00 C ATOM 1914 O PHE B 47 -6.896 1.456 -6.171 1.00 0.00 O ATOM 1915 CB PHE B 47 -4.003 0.850 -5.576 1.00 0.00 C ATOM 1916 CG PHE B 47 -3.267 1.997 -5.033 1.00 0.00 C ATOM 1917 CD1 PHE B 47 -2.345 1.806 -4.033 1.00 0.00 C ATOM 1918 CD2 PHE B 47 -3.497 3.265 -5.504 1.00 0.00 C ATOM 1919 CE1 PHE B 47 -1.656 2.856 -3.511 1.00 0.00 C ATOM 1920 CE2 PHE B 47 -2.811 4.324 -4.986 1.00 0.00 C ATOM 1921 CZ PHE B 47 -1.887 4.109 -3.987 1.00 0.00 C ATOM 0 H PHE B 47 -5.758 -0.976 -6.037 1.00 0.00 H new ATOM 0 HA PHE B 47 -4.957 0.584 -3.699 1.00 0.00 H new ATOM 0 HB2 PHE B 47 -3.348 -0.021 -5.607 1.00 0.00 H new ATOM 0 HB3 PHE B 47 -4.301 1.062 -6.603 1.00 0.00 H new ATOM 0 HD1 PHE B 47 -2.165 0.810 -3.657 1.00 0.00 H new ATOM 0 HD2 PHE B 47 -4.223 3.425 -6.287 1.00 0.00 H new ATOM 0 HE1 PHE B 47 -0.932 2.696 -2.726 1.00 0.00 H new ATOM 0 HE2 PHE B 47 -2.991 5.323 -5.356 1.00 0.00 H new ATOM 0 HZ PHE B 47 -1.340 4.945 -3.577 1.00 0.00 H new ATOM 1931 N VAL B 48 -6.547 2.408 -4.188 1.00 0.00 N ATOM 1932 CA VAL B 48 -7.518 3.443 -4.354 1.00 0.00 C ATOM 1933 C VAL B 48 -6.872 4.756 -3.941 1.00 0.00 C ATOM 1934 O VAL B 48 -5.987 4.759 -3.121 1.00 0.00 O ATOM 1935 CB VAL B 48 -8.818 3.138 -3.537 1.00 0.00 C ATOM 1936 CG1 VAL B 48 -8.516 2.803 -2.090 1.00 0.00 C ATOM 1937 CG2 VAL B 48 -9.787 4.293 -3.611 1.00 0.00 C ATOM 0 H VAL B 48 -6.063 2.440 -3.291 1.00 0.00 H new ATOM 0 HA VAL B 48 -7.832 3.507 -5.396 1.00 0.00 H new ATOM 0 HB VAL B 48 -9.278 2.261 -3.992 1.00 0.00 H new ATOM 0 HG11 VAL B 48 -9.447 2.599 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL B 48 -7.874 1.923 -2.047 1.00 0.00 H new ATOM 0 HG13 VAL B 48 -8.009 3.646 -1.620 1.00 0.00 H new ATOM 0 HG21 VAL B 48 -10.681 4.055 -3.035 1.00 0.00 H new ATOM 0 HG22 VAL B 48 -9.319 5.188 -3.201 1.00 0.00 H new ATOM 0 HG23 VAL B 48 -10.062 4.471 -4.651 1.00 0.00 H new ATOM 1947 N ILE B 49 -7.254 5.854 -4.514 1.00 0.00 N ATOM 1948 CA ILE B 49 -6.569 7.082 -4.150 1.00 0.00 C ATOM 1949 C ILE B 49 -7.351 7.845 -3.086 1.00 0.00 C ATOM 1950 O ILE B 49 -8.592 7.769 -3.037 1.00 0.00 O ATOM 1951 CB ILE B 49 -6.202 7.967 -5.367 1.00 0.00 C ATOM 1952 CG1 ILE B 49 -5.038 8.919 -5.015 1.00 0.00 C ATOM 1953 CG2 ILE B 49 -7.410 8.727 -5.916 1.00 0.00 C ATOM 1954 CD1 ILE B 49 -4.606 9.831 -6.148 1.00 0.00 C ATOM 0 H ILE B 49 -7.999 5.941 -5.205 1.00 0.00 H new ATOM 0 HA ILE B 49 -5.612 6.792 -3.716 1.00 0.00 H new ATOM 0 HB ILE B 49 -5.868 7.305 -6.166 1.00 0.00 H new ATOM 0 HG12 ILE B 49 -5.332 9.533 -4.164 1.00 0.00 H new ATOM 0 HG13 ILE B 49 -4.182 8.324 -4.698 1.00 0.00 H new ATOM 0 HG21 ILE B 49 -7.102 9.333 -6.768 1.00 0.00 H new ATOM 0 HG22 ILE B 49 -8.173 8.017 -6.233 1.00 0.00 H new ATOM 0 HG23 ILE B 49 -7.817 9.374 -5.139 1.00 0.00 H new ATOM 0 HD11 ILE B 49 -3.785 10.464 -5.812 1.00 0.00 H new ATOM 0 HD12 ILE B 49 -4.277 9.229 -6.995 1.00 0.00 H new ATOM 0 HD13 ILE B 49 -5.445 10.456 -6.452 1.00 0.00 H new ATOM 1966 N ALA B 50 -6.628 8.585 -2.254 1.00 0.00 N ATOM 1967 CA ALA B 50 -7.192 9.252 -1.088 1.00 0.00 C ATOM 1968 C ALA B 50 -8.339 10.203 -1.424 1.00 0.00 C ATOM 1969 O ALA B 50 -9.365 10.210 -0.741 1.00 0.00 O ATOM 1970 CB ALA B 50 -6.112 9.960 -0.286 1.00 0.00 C ATOM 0 H ALA B 50 -5.627 8.740 -2.371 1.00 0.00 H new ATOM 0 HA ALA B 50 -7.625 8.464 -0.472 1.00 0.00 H new ATOM 0 HB1 ALA B 50 -6.562 10.449 0.578 1.00 0.00 H new ATOM 0 HB2 ALA B 50 -5.374 9.233 0.052 1.00 0.00 H new ATOM 0 HB3 ALA B 50 -5.624 10.707 -0.912 1.00 0.00 H new ATOM 1976 N GLU B 51 -8.176 10.960 -2.493 1.00 0.00 N ATOM 1977 CA GLU B 51 -9.177 11.929 -2.931 1.00 0.00 C ATOM 1978 C GLU B 51 -10.574 11.351 -3.161 1.00 0.00 C ATOM 1979 O GLU B 51 -11.570 12.047 -2.948 1.00 0.00 O ATOM 1980 CB GLU B 51 -8.705 12.690 -4.163 1.00 0.00 C ATOM 1981 CG GLU B 51 -7.906 13.928 -3.831 1.00 0.00 C ATOM 1982 CD GLU B 51 -8.734 14.907 -3.024 1.00 0.00 C ATOM 1983 OE1 GLU B 51 -9.590 15.611 -3.609 1.00 0.00 O ATOM 1984 OE2 GLU B 51 -8.563 14.975 -1.798 1.00 0.00 O ATOM 0 H GLU B 51 -7.347 10.924 -3.086 1.00 0.00 H new ATOM 0 HA GLU B 51 -9.281 12.618 -2.093 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -8.097 12.028 -4.779 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -9.572 12.975 -4.760 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -7.014 13.650 -3.269 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -7.567 14.404 -4.751 1.00 0.00 H new ATOM 1991 N LEU B 52 -10.660 10.115 -3.588 1.00 0.00 N ATOM 1992 CA LEU B 52 -11.960 9.542 -3.864 1.00 0.00 C ATOM 1993 C LEU B 52 -12.329 8.327 -2.996 1.00 0.00 C ATOM 1994 O LEU B 52 -13.451 7.855 -3.042 1.00 0.00 O ATOM 1995 CB LEU B 52 -12.177 9.327 -5.378 1.00 0.00 C ATOM 1996 CG LEU B 52 -11.046 8.648 -6.164 1.00 0.00 C ATOM 1997 CD1 LEU B 52 -10.851 7.213 -5.741 1.00 0.00 C ATOM 1998 CD2 LEU B 52 -11.301 8.743 -7.654 1.00 0.00 C ATOM 0 H LEU B 52 -9.866 9.496 -3.750 1.00 0.00 H new ATOM 0 HA LEU B 52 -12.687 10.290 -3.548 1.00 0.00 H new ATOM 0 HB2 LEU B 52 -13.081 8.733 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU B 52 -12.367 10.299 -5.833 1.00 0.00 H new ATOM 0 HG LEU B 52 -10.122 9.180 -5.936 1.00 0.00 H new ATOM 0 HD11 LEU B 52 -10.042 6.769 -6.321 1.00 0.00 H new ATOM 0 HD12 LEU B 52 -10.599 7.177 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU B 52 -11.771 6.654 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU B 52 -10.489 8.256 -8.194 1.00 0.00 H new ATOM 0 HD22 LEU B 52 -12.243 8.250 -7.894 1.00 0.00 H new ATOM 0 HD23 LEU B 52 -11.355 9.791 -7.948 1.00 0.00 H new ATOM 2010 N VAL B 53 -11.402 7.834 -2.185 1.00 0.00 N ATOM 2011 CA VAL B 53 -11.722 6.696 -1.301 1.00 0.00 C ATOM 2012 C VAL B 53 -12.714 7.115 -0.247 1.00 0.00 C ATOM 2013 O VAL B 53 -13.518 6.332 0.191 1.00 0.00 O ATOM 2014 CB VAL B 53 -10.483 5.998 -0.652 1.00 0.00 C ATOM 2015 CG1 VAL B 53 -9.751 6.922 0.285 1.00 0.00 C ATOM 2016 CG2 VAL B 53 -10.880 4.709 0.072 1.00 0.00 C ATOM 0 H VAL B 53 -10.447 8.184 -2.113 1.00 0.00 H new ATOM 0 HA VAL B 53 -12.163 5.939 -1.949 1.00 0.00 H new ATOM 0 HB VAL B 53 -9.806 5.737 -1.466 1.00 0.00 H new ATOM 0 HG11 VAL B 53 -8.896 6.401 0.716 1.00 0.00 H new ATOM 0 HG12 VAL B 53 -9.403 7.797 -0.265 1.00 0.00 H new ATOM 0 HG13 VAL B 53 -10.423 7.239 1.083 1.00 0.00 H new ATOM 0 HG21 VAL B 53 -9.994 4.251 0.511 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -11.597 4.940 0.860 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -11.332 4.017 -0.639 1.00 0.00 H new ATOM 2026 N ASN B 54 -12.669 8.355 0.134 1.00 0.00 N ATOM 2027 CA ASN B 54 -13.586 8.846 1.126 1.00 0.00 C ATOM 2028 C ASN B 54 -15.041 8.749 0.666 1.00 0.00 C ATOM 2029 O ASN B 54 -15.936 8.508 1.492 1.00 0.00 O ATOM 2030 CB ASN B 54 -13.226 10.246 1.623 1.00 0.00 C ATOM 2031 CG ASN B 54 -11.914 10.265 2.393 1.00 0.00 C ATOM 2032 OD1 ASN B 54 -11.886 9.983 3.589 1.00 0.00 O ATOM 2033 ND2 ASN B 54 -10.832 10.640 1.751 1.00 0.00 N ATOM 0 H ASN B 54 -12.010 9.047 -0.224 1.00 0.00 H new ATOM 0 HA ASN B 54 -13.485 8.185 1.987 1.00 0.00 H new ATOM 0 HB2 ASN B 54 -13.156 10.924 0.773 1.00 0.00 H new ATOM 0 HB3 ASN B 54 -14.026 10.619 2.263 1.00 0.00 H new ATOM 0 HD21 ASN B 54 -9.942 10.703 2.245 1.00 0.00 H new ATOM 0 HD22 ASN B 54 -10.882 10.869 0.758 1.00 0.00 H new ATOM 2040 N VAL B 55 -15.287 8.869 -0.658 1.00 0.00 N ATOM 2041 CA VAL B 55 -16.628 8.746 -1.158 1.00 0.00 C ATOM 2042 C VAL B 55 -17.010 7.296 -1.146 1.00 0.00 C ATOM 2043 O VAL B 55 -18.133 6.928 -0.888 1.00 0.00 O ATOM 2044 CB VAL B 55 -16.874 9.393 -2.546 1.00 0.00 C ATOM 2045 CG1 VAL B 55 -16.349 8.576 -3.650 1.00 0.00 C ATOM 2046 CG2 VAL B 55 -18.324 9.734 -2.730 1.00 0.00 C ATOM 0 H VAL B 55 -14.576 9.047 -1.367 1.00 0.00 H new ATOM 0 HA VAL B 55 -17.271 9.320 -0.491 1.00 0.00 H new ATOM 0 HB VAL B 55 -16.311 10.326 -2.573 1.00 0.00 H new ATOM 0 HG11 VAL B 55 -16.548 9.075 -4.598 1.00 0.00 H new ATOM 0 HG12 VAL B 55 -15.274 8.446 -3.527 1.00 0.00 H new ATOM 0 HG13 VAL B 55 -16.836 7.601 -3.644 1.00 0.00 H new ATOM 0 HG21 VAL B 55 -18.470 10.186 -3.711 1.00 0.00 H new ATOM 0 HG22 VAL B 55 -18.923 8.827 -2.656 1.00 0.00 H new ATOM 0 HG23 VAL B 55 -18.633 10.437 -1.957 1.00 0.00 H new ATOM 2056 N LEU B 56 -16.023 6.494 -1.389 1.00 0.00 N ATOM 2057 CA LEU B 56 -16.122 5.085 -1.426 1.00 0.00 C ATOM 2058 C LEU B 56 -16.511 4.570 -0.033 1.00 0.00 C ATOM 2059 O LEU B 56 -17.402 3.744 0.091 1.00 0.00 O ATOM 2060 CB LEU B 56 -14.752 4.575 -1.899 1.00 0.00 C ATOM 2061 CG LEU B 56 -14.562 3.117 -2.274 1.00 0.00 C ATOM 2062 CD1 LEU B 56 -14.552 2.184 -1.066 1.00 0.00 C ATOM 2063 CD2 LEU B 56 -15.598 2.697 -3.282 1.00 0.00 C ATOM 0 H LEU B 56 -15.079 6.831 -1.576 1.00 0.00 H new ATOM 0 HA LEU B 56 -16.893 4.726 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU B 56 -14.469 5.170 -2.767 1.00 0.00 H new ATOM 0 HB3 LEU B 56 -14.034 4.801 -1.110 1.00 0.00 H new ATOM 0 HG LEU B 56 -13.574 3.031 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU B 56 -14.413 1.156 -1.401 1.00 0.00 H new ATOM 0 HD12 LEU B 56 -13.736 2.462 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU B 56 -15.500 2.267 -0.534 1.00 0.00 H new ATOM 0 HD21 LEU B 56 -15.449 1.649 -3.542 1.00 0.00 H new ATOM 0 HD22 LEU B 56 -16.593 2.828 -2.857 1.00 0.00 H new ATOM 0 HD23 LEU B 56 -15.503 3.310 -4.178 1.00 0.00 H new ATOM 2075 N GLN B 57 -15.870 5.109 1.011 1.00 0.00 N ATOM 2076 CA GLN B 57 -16.143 4.686 2.390 1.00 0.00 C ATOM 2077 C GLN B 57 -17.581 4.959 2.745 1.00 0.00 C ATOM 2078 O GLN B 57 -18.288 4.075 3.252 1.00 0.00 O ATOM 2079 CB GLN B 57 -15.265 5.429 3.406 1.00 0.00 C ATOM 2080 CG GLN B 57 -13.768 5.491 3.119 1.00 0.00 C ATOM 2081 CD GLN B 57 -13.005 4.171 3.062 1.00 0.00 C ATOM 2082 OE1 GLN B 57 -13.565 3.171 2.469 1.00 0.00 O flip ATOM 2083 NE2 GLN B 57 -11.850 4.107 3.469 1.00 0.00 N flip ATOM 0 H GLN B 57 -15.160 5.837 0.928 1.00 0.00 H new ATOM 0 HA GLN B 57 -15.923 3.619 2.437 1.00 0.00 H new ATOM 0 HB2 GLN B 57 -15.636 6.451 3.490 1.00 0.00 H new ATOM 0 HB3 GLN B 57 -15.403 4.959 4.380 1.00 0.00 H new ATOM 0 HG2 GLN B 57 -13.629 6.001 2.166 1.00 0.00 H new ATOM 0 HG3 GLN B 57 -13.305 6.114 3.884 1.00 0.00 H new ATOM 0 HE21 GLN B 57 -11.428 4.910 3.935 1.00 0.00 H new ATOM 0 HE22 GLN B 57 -11.311 3.250 3.342 1.00 0.00 H new ATOM 2092 N GLU B 58 -18.044 6.152 2.423 1.00 0.00 N ATOM 2093 CA GLU B 58 -19.402 6.495 2.733 1.00 0.00 C ATOM 2094 C GLU B 58 -20.379 5.784 1.843 1.00 0.00 C ATOM 2095 O GLU B 58 -21.462 5.462 2.268 1.00 0.00 O ATOM 2096 CB GLU B 58 -19.668 7.989 2.760 1.00 0.00 C ATOM 2097 CG GLU B 58 -19.204 8.743 1.542 1.00 0.00 C ATOM 2098 CD GLU B 58 -19.546 10.196 1.617 1.00 0.00 C ATOM 2099 OE1 GLU B 58 -18.888 10.929 2.385 1.00 0.00 O ATOM 2100 OE2 GLU B 58 -20.485 10.629 0.921 1.00 0.00 O ATOM 0 H GLU B 58 -17.505 6.881 1.956 1.00 0.00 H new ATOM 0 HA GLU B 58 -19.557 6.145 3.754 1.00 0.00 H new ATOM 0 HB2 GLU B 58 -20.739 8.149 2.881 1.00 0.00 H new ATOM 0 HB3 GLU B 58 -19.181 8.413 3.638 1.00 0.00 H new ATOM 0 HG2 GLU B 58 -18.125 8.630 1.435 1.00 0.00 H new ATOM 0 HG3 GLU B 58 -19.660 8.309 0.652 1.00 0.00 H new ATOM 2107 N ARG B 59 -20.005 5.537 0.611 1.00 0.00 N ATOM 2108 CA ARG B 59 -20.883 4.839 -0.285 1.00 0.00 C ATOM 2109 C ARG B 59 -21.093 3.416 0.203 1.00 0.00 C ATOM 2110 O ARG B 59 -22.211 2.966 0.304 1.00 0.00 O ATOM 2111 CB ARG B 59 -20.328 4.840 -1.717 1.00 0.00 C ATOM 2112 CG ARG B 59 -21.182 4.099 -2.751 1.00 0.00 C ATOM 2113 CD ARG B 59 -22.574 4.702 -2.886 1.00 0.00 C ATOM 2114 NE ARG B 59 -22.533 6.132 -3.213 1.00 0.00 N ATOM 2115 CZ ARG B 59 -22.891 6.681 -4.382 1.00 0.00 C ATOM 2116 NH1 ARG B 59 -23.153 5.912 -5.430 1.00 0.00 N ATOM 2117 NH2 ARG B 59 -22.936 8.001 -4.502 1.00 0.00 N ATOM 0 H ARG B 59 -19.106 5.808 0.212 1.00 0.00 H new ATOM 0 HA ARG B 59 -21.842 5.356 -0.300 1.00 0.00 H new ATOM 0 HB2 ARG B 59 -20.209 5.874 -2.042 1.00 0.00 H new ATOM 0 HB3 ARG B 59 -19.334 4.393 -1.704 1.00 0.00 H new ATOM 0 HG2 ARG B 59 -20.681 4.125 -3.719 1.00 0.00 H new ATOM 0 HG3 ARG B 59 -21.268 3.051 -2.465 1.00 0.00 H new ATOM 0 HD2 ARG B 59 -23.124 4.170 -3.662 1.00 0.00 H new ATOM 0 HD3 ARG B 59 -23.121 4.560 -1.954 1.00 0.00 H new ATOM 0 HE ARG B 59 -22.202 6.765 -2.485 1.00 0.00 H new ATOM 0 HH11 ARG B 59 -23.082 4.898 -5.349 1.00 0.00 H new ATOM 0 HH12 ARG B 59 -23.425 6.335 -6.317 1.00 0.00 H new ATOM 0 HH21 ARG B 59 -22.699 8.594 -3.707 1.00 0.00 H new ATOM 0 HH22 ARG B 59 -23.208 8.423 -5.390 1.00 0.00 H new ATOM 2131 N VAL B 60 -20.009 2.770 0.599 1.00 0.00 N ATOM 2132 CA VAL B 60 -20.048 1.396 1.083 1.00 0.00 C ATOM 2133 C VAL B 60 -20.813 1.291 2.412 1.00 0.00 C ATOM 2134 O VAL B 60 -21.541 0.324 2.649 1.00 0.00 O ATOM 2135 CB VAL B 60 -18.601 0.798 1.208 1.00 0.00 C ATOM 2136 CG1 VAL B 60 -18.611 -0.574 1.882 1.00 0.00 C ATOM 2137 CG2 VAL B 60 -17.984 0.661 -0.177 1.00 0.00 C ATOM 0 H VAL B 60 -19.076 3.182 0.595 1.00 0.00 H new ATOM 0 HA VAL B 60 -20.590 0.802 0.347 1.00 0.00 H new ATOM 0 HB VAL B 60 -18.014 1.479 1.824 1.00 0.00 H new ATOM 0 HG11 VAL B 60 -17.591 -0.954 1.950 1.00 0.00 H new ATOM 0 HG12 VAL B 60 -19.032 -0.484 2.883 1.00 0.00 H new ATOM 0 HG13 VAL B 60 -19.217 -1.264 1.294 1.00 0.00 H new ATOM 0 HG21 VAL B 60 -16.980 0.246 -0.089 1.00 0.00 H new ATOM 0 HG22 VAL B 60 -18.599 -0.003 -0.785 1.00 0.00 H new ATOM 0 HG23 VAL B 60 -17.931 1.641 -0.650 1.00 0.00 H new ATOM 2147 N GLY B 61 -20.671 2.288 3.245 1.00 0.00 N ATOM 2148 CA GLY B 61 -21.327 2.267 4.525 1.00 0.00 C ATOM 2149 C GLY B 61 -22.777 2.748 4.504 1.00 0.00 C ATOM 2150 O GLY B 61 -23.671 2.075 5.014 1.00 0.00 O ATOM 0 H GLY B 61 -20.110 3.120 3.062 1.00 0.00 H new ATOM 0 HA2 GLY B 61 -21.301 1.250 4.915 1.00 0.00 H new ATOM 0 HA3 GLY B 61 -20.762 2.889 5.219 1.00 0.00 H new