USER MOD reduce.3.24.130724 H: found=0, std=0, add=819, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 92 GLN :FLIP amide:sc= 0.0965 F(o=-2.4,f=0.096) USER MOD Set 2.1: A 75 ASN : amide:sc= -4.18! C(o=-4.2!,f=-5.8!) USER MOD Set 2.2: A 76 MET CE :methyl -177:sc= -0.0251 (180deg=-0.00428) USER MOD Set 3.1: A 13 GLN : amide:sc= -2.81! C(o=-2.5!,f=-2.2!) USER MOD Set 3.2: A 51 CYS SG : rot 49:sc= 0.351 USER MOD Set 4.1: A 35 THR OG1 : rot -164:sc= 0.992 USER MOD Set 4.2: A 58 THR OG1 : rot 122:sc= -2.37! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0196 X(o=-0.02,f=-0.047) USER MOD Single : A 4 ASN : amide:sc= -5.45! C(o=-5.5!,f=-7.1!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0834 USER MOD Single : A 10 GLN : amide:sc= -0.279 K(o=-0.28,f=-2.4!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 88:sc= 1.31 USER MOD Single : A 24 THR OG1 : rot -76:sc= 0.96 USER MOD Single : A 29 SER OG : rot 180:sc=-0.00624 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 HIS :FLIP no HD1:sc= -1.56 F(o=-2.8,f=-1.6) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.0816 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc=-0.00402 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.656 USER MOD Single : A 65 THR OG1 : rot 56:sc= -5.5! USER MOD Single : A 67 THR OG1 : rot -170:sc= -0.717 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0.21) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0697! USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -141:sc= -0.0988 (180deg=-1.39) USER MOD Single : A 89 TYR OH : rot -130:sc= -2.51 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc=-0.00868 X(o=-0.0087,f=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.149 12.436 5.954 1.00 0.00 N ATOM 2 CA MET A 1 -17.530 13.087 7.096 1.00 0.00 C ATOM 3 C MET A 1 -16.760 12.079 7.951 1.00 0.00 C ATOM 4 O MET A 1 -17.291 11.556 8.930 1.00 0.00 O ATOM 5 CB MET A 1 -18.609 13.760 7.947 1.00 0.00 C ATOM 6 CG MET A 1 -18.921 15.165 7.427 1.00 0.00 C ATOM 7 SD MET A 1 -20.243 15.890 8.382 1.00 0.00 S ATOM 8 CE MET A 1 -20.573 17.344 7.400 1.00 0.00 C ATOM 0 H1 MET A 1 -18.665 13.141 5.390 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.414 11.993 5.366 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.812 11.707 6.287 1.00 0.00 H new ATOM 0 HA MET A 1 -16.827 13.834 6.727 1.00 0.00 H new ATOM 0 HB2 MET A 1 -19.516 13.155 7.936 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.276 13.818 8.983 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.031 15.791 7.489 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.204 15.118 6.376 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.380 17.917 7.858 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.675 17.960 7.348 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.866 17.045 6.394 1.00 0.00 H new ATOM 18 N GLN A 2 -15.521 11.836 7.551 1.00 0.00 N ATOM 19 CA GLN A 2 -14.673 10.900 8.268 1.00 0.00 C ATOM 20 C GLN A 2 -13.221 11.035 7.804 1.00 0.00 C ATOM 21 O GLN A 2 -12.941 11.722 6.823 1.00 0.00 O ATOM 22 CB GLN A 2 -15.172 9.464 8.094 1.00 0.00 C ATOM 23 CG GLN A 2 -15.815 8.947 9.383 1.00 0.00 C ATOM 24 CD GLN A 2 -17.033 8.073 9.075 1.00 0.00 C ATOM 25 OE1 GLN A 2 -18.000 8.502 8.468 1.00 0.00 O ATOM 26 NE2 GLN A 2 -16.931 6.826 9.527 1.00 0.00 N ATOM 0 H GLN A 2 -15.084 12.272 6.739 1.00 0.00 H new ATOM 0 HA GLN A 2 -14.718 11.140 9.330 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -15.896 9.423 7.280 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -14.340 8.818 7.814 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -15.085 8.372 9.953 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -16.115 9.789 10.007 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -16.093 6.532 10.028 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -17.691 6.164 9.372 1.00 0.00 H new ATOM 35 N PRO A 3 -12.313 10.353 8.551 1.00 0.00 N ATOM 36 CA PRO A 3 -10.897 10.391 8.227 1.00 0.00 C ATOM 37 C PRO A 3 -10.592 9.526 7.002 1.00 0.00 C ATOM 38 O PRO A 3 -11.470 8.830 6.495 1.00 0.00 O ATOM 39 CB PRO A 3 -10.192 9.909 9.485 1.00 0.00 C ATOM 40 CG PRO A 3 -11.248 9.182 10.301 1.00 0.00 C ATOM 41 CD PRO A 3 -12.608 9.529 9.720 1.00 0.00 C ATOM 0 HA PRO A 3 -10.555 11.389 7.953 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.363 9.245 9.238 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.774 10.746 10.044 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.082 8.105 10.267 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -11.193 9.480 11.348 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.161 8.631 9.442 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.220 10.070 10.441 1.00 0.00 H new ATOM 49 N ASN A 4 -9.344 9.597 6.563 1.00 0.00 N ATOM 50 CA ASN A 4 -8.912 8.830 5.408 1.00 0.00 C ATOM 51 C ASN A 4 -9.254 7.354 5.624 1.00 0.00 C ATOM 52 O ASN A 4 -9.624 6.954 6.727 1.00 0.00 O ATOM 53 CB ASN A 4 -7.399 8.939 5.208 1.00 0.00 C ATOM 54 CG ASN A 4 -6.974 8.311 3.879 1.00 0.00 C ATOM 55 OD1 ASN A 4 -6.426 7.222 3.825 1.00 0.00 O ATOM 56 ND2 ASN A 4 -7.257 9.055 2.814 1.00 0.00 N ATOM 0 H ASN A 4 -8.618 10.174 6.987 1.00 0.00 H new ATOM 0 HA ASN A 4 -9.422 9.228 4.530 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.100 9.987 5.231 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -6.883 8.443 6.030 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -7.014 8.723 1.881 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -7.717 9.958 2.930 1.00 0.00 H new ATOM 63 N ASP A 5 -9.119 6.585 4.554 1.00 0.00 N ATOM 64 CA ASP A 5 -9.410 5.163 4.612 1.00 0.00 C ATOM 65 C ASP A 5 -8.117 4.393 4.889 1.00 0.00 C ATOM 66 O ASP A 5 -8.084 3.517 5.751 1.00 0.00 O ATOM 67 CB ASP A 5 -9.983 4.663 3.285 1.00 0.00 C ATOM 68 CG ASP A 5 -11.170 5.466 2.749 1.00 0.00 C ATOM 69 OD1 ASP A 5 -11.720 5.157 1.682 1.00 0.00 O ATOM 70 OD2 ASP A 5 -11.532 6.461 3.486 1.00 0.00 O ATOM 0 H ASP A 5 -8.812 6.920 3.641 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.141 5.001 5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.190 4.673 2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.292 3.625 3.408 1.00 0.00 H new ATOM 76 N ILE A 6 -7.083 4.749 4.141 1.00 0.00 N ATOM 77 CA ILE A 6 -5.790 4.103 4.295 1.00 0.00 C ATOM 78 C ILE A 6 -4.720 4.940 3.592 1.00 0.00 C ATOM 79 O ILE A 6 -4.950 5.458 2.500 1.00 0.00 O ATOM 80 CB ILE A 6 -5.855 2.654 3.810 1.00 0.00 C ATOM 81 CG1 ILE A 6 -4.457 2.037 3.738 1.00 0.00 C ATOM 82 CG2 ILE A 6 -6.595 2.555 2.475 1.00 0.00 C ATOM 83 CD1 ILE A 6 -4.396 0.723 4.519 1.00 0.00 C ATOM 0 H ILE A 6 -7.114 5.476 3.427 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.513 4.050 5.348 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.425 2.076 4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.188 1.858 2.697 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.725 2.738 4.141 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.627 1.514 2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.612 2.929 2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.074 3.151 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.391 0.306 4.451 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.642 0.909 5.564 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.111 0.016 4.099 1.00 0.00 H new ATOM 95 N THR A 7 -3.572 5.046 4.246 1.00 0.00 N ATOM 96 CA THR A 7 -2.466 5.811 3.697 1.00 0.00 C ATOM 97 C THR A 7 -1.423 4.875 3.084 1.00 0.00 C ATOM 98 O THR A 7 -1.436 3.672 3.340 1.00 0.00 O ATOM 99 CB THR A 7 -1.906 6.698 4.811 1.00 0.00 C ATOM 100 OG1 THR A 7 -2.040 5.905 5.987 1.00 0.00 O ATOM 101 CG2 THR A 7 -2.785 7.921 5.083 1.00 0.00 C ATOM 0 H THR A 7 -3.384 4.615 5.151 1.00 0.00 H new ATOM 0 HA THR A 7 -2.797 6.456 2.883 1.00 0.00 H new ATOM 0 HB THR A 7 -0.901 7.026 4.544 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.699 6.404 6.758 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.343 8.517 5.882 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.859 8.525 4.178 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.781 7.594 5.383 1.00 0.00 H new ATOM 109 N PHE A 8 -0.544 5.462 2.285 1.00 0.00 N ATOM 110 CA PHE A 8 0.504 4.695 1.633 1.00 0.00 C ATOM 111 C PHE A 8 1.763 5.543 1.438 1.00 0.00 C ATOM 112 O PHE A 8 1.679 6.701 1.032 1.00 0.00 O ATOM 113 CB PHE A 8 -0.033 4.278 0.263 1.00 0.00 C ATOM 114 CG PHE A 8 -1.375 3.546 0.317 1.00 0.00 C ATOM 115 CD1 PHE A 8 -2.532 4.253 0.433 1.00 0.00 C ATOM 116 CD2 PHE A 8 -1.413 2.188 0.250 1.00 0.00 C ATOM 117 CE1 PHE A 8 -3.777 3.574 0.484 1.00 0.00 C ATOM 118 CE2 PHE A 8 -2.659 1.509 0.300 1.00 0.00 C ATOM 119 CZ PHE A 8 -3.815 2.216 0.416 1.00 0.00 C ATOM 0 H PHE A 8 -0.536 6.460 2.074 1.00 0.00 H new ATOM 0 HA PHE A 8 0.770 3.833 2.245 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -0.140 5.166 -0.359 1.00 0.00 H new ATOM 0 HB3 PHE A 8 0.701 3.635 -0.223 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -2.503 5.331 0.486 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -0.495 1.626 0.159 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -4.695 4.136 0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -2.689 0.431 0.246 1.00 0.00 H new ATOM 0 HZ PHE A 8 -4.763 1.699 0.454 1.00 0.00 H new ATOM 129 N PHE A 9 2.901 4.933 1.736 1.00 0.00 N ATOM 130 CA PHE A 9 4.175 5.617 1.598 1.00 0.00 C ATOM 131 C PHE A 9 4.201 6.479 0.335 1.00 0.00 C ATOM 132 O PHE A 9 3.480 6.205 -0.623 1.00 0.00 O ATOM 133 CB PHE A 9 5.253 4.536 1.486 1.00 0.00 C ATOM 134 CG PHE A 9 6.683 5.076 1.540 1.00 0.00 C ATOM 135 CD1 PHE A 9 6.956 6.211 2.239 1.00 0.00 C ATOM 136 CD2 PHE A 9 7.682 4.422 0.890 1.00 0.00 C ATOM 137 CE1 PHE A 9 8.283 6.712 2.289 1.00 0.00 C ATOM 138 CE2 PHE A 9 9.010 4.923 0.941 1.00 0.00 C ATOM 139 CZ PHE A 9 9.283 6.057 1.639 1.00 0.00 C ATOM 0 H PHE A 9 2.967 3.972 2.073 1.00 0.00 H new ATOM 0 HA PHE A 9 4.341 6.270 2.454 1.00 0.00 H new ATOM 0 HB2 PHE A 9 5.117 3.816 2.293 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.115 3.995 0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 9 6.163 6.731 2.756 1.00 0.00 H new ATOM 0 HD2 PHE A 9 7.466 3.521 0.335 1.00 0.00 H new ATOM 0 HE1 PHE A 9 8.499 7.613 2.843 1.00 0.00 H new ATOM 0 HE2 PHE A 9 9.803 4.403 0.425 1.00 0.00 H new ATOM 0 HZ PHE A 9 10.293 6.438 1.678 1.00 0.00 H new ATOM 149 N GLN A 10 5.038 7.506 0.375 1.00 0.00 N ATOM 150 CA GLN A 10 5.167 8.410 -0.755 1.00 0.00 C ATOM 151 C GLN A 10 5.375 7.619 -2.048 1.00 0.00 C ATOM 152 O GLN A 10 4.671 7.835 -3.032 1.00 0.00 O ATOM 153 CB GLN A 10 6.306 9.407 -0.532 1.00 0.00 C ATOM 154 CG GLN A 10 6.325 10.473 -1.629 1.00 0.00 C ATOM 155 CD GLN A 10 7.748 10.712 -2.138 1.00 0.00 C ATOM 156 OE1 GLN A 10 8.722 10.231 -1.583 1.00 0.00 O ATOM 157 NE2 GLN A 10 7.813 11.479 -3.223 1.00 0.00 N ATOM 0 H GLN A 10 5.633 7.732 1.172 1.00 0.00 H new ATOM 0 HA GLN A 10 4.242 8.980 -0.847 1.00 0.00 H new ATOM 0 HB2 GLN A 10 6.191 9.884 0.441 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.259 8.878 -0.517 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.687 10.160 -2.456 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.912 11.405 -1.243 1.00 0.00 H new ATOM 0 HE21 GLN A 10 6.958 11.850 -3.638 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.718 11.697 -3.640 1.00 0.00 H new ATOM 166 N ARG A 11 6.347 6.719 -2.003 1.00 0.00 N ATOM 167 CA ARG A 11 6.657 5.894 -3.158 1.00 0.00 C ATOM 168 C ARG A 11 5.383 5.250 -3.708 1.00 0.00 C ATOM 169 O ARG A 11 5.137 5.281 -4.913 1.00 0.00 O ATOM 170 CB ARG A 11 7.661 4.797 -2.799 1.00 0.00 C ATOM 171 CG ARG A 11 8.974 5.399 -2.294 1.00 0.00 C ATOM 172 CD ARG A 11 10.122 4.397 -2.422 1.00 0.00 C ATOM 173 NE ARG A 11 11.014 4.789 -3.536 1.00 0.00 N ATOM 174 CZ ARG A 11 11.960 5.747 -3.447 1.00 0.00 C ATOM 175 NH1 ARG A 11 12.146 6.421 -2.292 1.00 0.00 N ATOM 176 NH2 ARG A 11 12.701 6.016 -4.506 1.00 0.00 N ATOM 0 H ARG A 11 6.930 6.543 -1.185 1.00 0.00 H new ATOM 0 HA ARG A 11 7.099 6.540 -3.917 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.237 4.147 -2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.854 4.176 -3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.208 6.299 -2.862 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.863 5.699 -1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.686 4.357 -1.490 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.725 3.397 -2.598 1.00 0.00 H new ATOM 0 HE ARG A 11 10.907 4.304 -4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.569 6.207 -1.478 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.863 7.144 -2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 11 12.554 5.503 -5.375 1.00 0.00 H new ATOM 0 HH22 ARG A 11 13.420 6.737 -4.455 1.00 0.00 H new ATOM 189 N PHE A 12 4.606 4.680 -2.798 1.00 0.00 N ATOM 190 CA PHE A 12 3.363 4.030 -3.176 1.00 0.00 C ATOM 191 C PHE A 12 2.388 5.030 -3.799 1.00 0.00 C ATOM 192 O PHE A 12 1.642 4.688 -4.715 1.00 0.00 O ATOM 193 CB PHE A 12 2.746 3.464 -1.896 1.00 0.00 C ATOM 194 CG PHE A 12 3.204 2.043 -1.560 1.00 0.00 C ATOM 195 CD1 PHE A 12 4.470 1.824 -1.114 1.00 0.00 C ATOM 196 CD2 PHE A 12 2.345 0.999 -1.707 1.00 0.00 C ATOM 197 CE1 PHE A 12 4.895 0.505 -0.802 1.00 0.00 C ATOM 198 CE2 PHE A 12 2.770 -0.320 -1.395 1.00 0.00 C ATOM 199 CZ PHE A 12 4.036 -0.539 -0.949 1.00 0.00 C ATOM 0 H PHE A 12 4.814 4.655 -1.800 1.00 0.00 H new ATOM 0 HA PHE A 12 3.561 3.250 -3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.995 4.122 -1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.660 3.471 -1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.152 2.653 -0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.340 1.173 -2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 12 5.900 0.331 -0.448 1.00 0.00 H new ATOM 0 HE2 PHE A 12 2.088 -1.149 -1.512 1.00 0.00 H new ATOM 0 HZ PHE A 12 4.359 -1.542 -0.712 1.00 0.00 H new ATOM 209 N GLN A 13 2.424 6.247 -3.277 1.00 0.00 N ATOM 210 CA GLN A 13 1.553 7.300 -3.770 1.00 0.00 C ATOM 211 C GLN A 13 1.878 7.617 -5.231 1.00 0.00 C ATOM 212 O GLN A 13 0.979 7.694 -6.068 1.00 0.00 O ATOM 213 CB GLN A 13 1.661 8.554 -2.900 1.00 0.00 C ATOM 214 CG GLN A 13 0.362 8.801 -2.130 1.00 0.00 C ATOM 215 CD GLN A 13 -0.375 10.025 -2.676 1.00 0.00 C ATOM 216 OE1 GLN A 13 -1.477 9.939 -3.193 1.00 0.00 O ATOM 217 NE2 GLN A 13 0.293 11.167 -2.533 1.00 0.00 N ATOM 0 H GLN A 13 3.043 6.527 -2.517 1.00 0.00 H new ATOM 0 HA GLN A 13 0.523 6.948 -3.715 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.488 8.444 -2.199 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.886 9.417 -3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.280 7.923 -2.202 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.584 8.947 -1.073 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.212 11.168 -2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.114 12.041 -2.866 1.00 0.00 H new ATOM 226 N ASP A 14 3.164 7.792 -5.494 1.00 0.00 N ATOM 227 CA ASP A 14 3.619 8.098 -6.839 1.00 0.00 C ATOM 228 C ASP A 14 3.204 6.968 -7.783 1.00 0.00 C ATOM 229 O ASP A 14 2.679 7.220 -8.867 1.00 0.00 O ATOM 230 CB ASP A 14 5.143 8.222 -6.891 1.00 0.00 C ATOM 231 CG ASP A 14 5.739 8.287 -8.299 1.00 0.00 C ATOM 232 OD1 ASP A 14 5.782 9.356 -8.926 1.00 0.00 O ATOM 233 OD2 ASP A 14 6.177 7.163 -8.758 1.00 0.00 O ATOM 0 H ASP A 14 3.906 7.728 -4.797 1.00 0.00 H new ATOM 0 HA ASP A 14 3.170 9.045 -7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.438 9.119 -6.346 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.580 7.372 -6.367 1.00 0.00 H new ATOM 239 N ASP A 15 3.454 5.746 -7.337 1.00 0.00 N ATOM 240 CA ASP A 15 3.113 4.576 -8.129 1.00 0.00 C ATOM 241 C ASP A 15 1.610 4.578 -8.413 1.00 0.00 C ATOM 242 O ASP A 15 1.176 4.153 -9.482 1.00 0.00 O ATOM 243 CB ASP A 15 3.451 3.286 -7.379 1.00 0.00 C ATOM 244 CG ASP A 15 4.697 2.553 -7.880 1.00 0.00 C ATOM 245 OD1 ASP A 15 4.600 1.518 -8.556 1.00 0.00 O ATOM 246 OD2 ASP A 15 5.819 3.094 -7.546 1.00 0.00 O ATOM 0 H ASP A 15 3.889 5.540 -6.437 1.00 0.00 H new ATOM 0 HA ASP A 15 3.687 4.616 -9.055 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.587 3.522 -6.324 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.599 2.610 -7.447 1.00 0.00 H new ATOM 252 N ILE A 16 0.856 5.061 -7.436 1.00 0.00 N ATOM 253 CA ILE A 16 -0.589 5.125 -7.567 1.00 0.00 C ATOM 254 C ILE A 16 -0.955 6.137 -8.654 1.00 0.00 C ATOM 255 O ILE A 16 -1.804 5.865 -9.501 1.00 0.00 O ATOM 256 CB ILE A 16 -1.238 5.416 -6.212 1.00 0.00 C ATOM 257 CG1 ILE A 16 -1.160 4.195 -5.293 1.00 0.00 C ATOM 258 CG2 ILE A 16 -2.675 5.910 -6.388 1.00 0.00 C ATOM 259 CD1 ILE A 16 -1.206 4.613 -3.822 1.00 0.00 C ATOM 0 H ILE A 16 1.220 5.412 -6.550 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.985 4.160 -7.884 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.678 6.218 -5.730 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.988 3.519 -5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.240 3.645 -5.490 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.113 6.110 -5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.675 6.826 -6.979 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.262 5.147 -6.900 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.149 3.727 -3.190 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.363 5.269 -3.604 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.138 5.141 -3.623 1.00 0.00 H new ATOM 271 N LEU A 17 -0.294 7.285 -8.595 1.00 0.00 N ATOM 272 CA LEU A 17 -0.539 8.339 -9.565 1.00 0.00 C ATOM 273 C LEU A 17 -0.263 7.807 -10.972 1.00 0.00 C ATOM 274 O LEU A 17 -0.816 8.309 -11.949 1.00 0.00 O ATOM 275 CB LEU A 17 0.269 9.590 -9.211 1.00 0.00 C ATOM 276 CG LEU A 17 1.352 9.994 -10.213 1.00 0.00 C ATOM 277 CD1 LEU A 17 0.734 10.609 -11.470 1.00 0.00 C ATOM 278 CD2 LEU A 17 2.379 10.924 -9.565 1.00 0.00 C ATOM 0 H LEU A 17 0.410 7.508 -7.891 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.585 8.644 -9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.422 10.425 -9.097 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.740 9.432 -8.241 1.00 0.00 H new ATOM 0 HG LEU A 17 1.883 9.094 -10.523 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.526 10.887 -12.166 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.074 9.883 -11.944 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.162 11.496 -11.198 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.138 11.196 -10.299 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.880 11.825 -9.208 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.852 10.415 -8.726 1.00 0.00 H new ATOM 290 N ALA A 18 0.592 6.796 -11.031 1.00 0.00 N ATOM 291 CA ALA A 18 0.948 6.190 -12.303 1.00 0.00 C ATOM 292 C ALA A 18 -0.202 5.300 -12.778 1.00 0.00 C ATOM 293 O ALA A 18 -0.145 4.736 -13.869 1.00 0.00 O ATOM 294 CB ALA A 18 2.259 5.417 -12.150 1.00 0.00 C ATOM 0 H ALA A 18 1.048 6.381 -10.218 1.00 0.00 H new ATOM 0 HA ALA A 18 1.107 6.956 -13.062 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.527 4.962 -13.104 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.050 6.100 -11.839 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.136 4.637 -11.398 1.00 0.00 H new ATOM 300 N GLY A 19 -1.220 5.202 -11.935 1.00 0.00 N ATOM 301 CA GLY A 19 -2.382 4.391 -12.256 1.00 0.00 C ATOM 302 C GLY A 19 -1.978 2.942 -12.536 1.00 0.00 C ATOM 303 O GLY A 19 -2.547 2.293 -13.412 1.00 0.00 O ATOM 0 H GLY A 19 -1.264 5.671 -11.030 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.091 4.421 -11.429 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -2.890 4.806 -13.127 1.00 0.00 H new ATOM 307 N ARG A 20 -0.998 2.476 -11.776 1.00 0.00 N ATOM 308 CA ARG A 20 -0.511 1.116 -11.931 1.00 0.00 C ATOM 309 C ARG A 20 -1.129 0.206 -10.868 1.00 0.00 C ATOM 310 O ARG A 20 -0.682 0.193 -9.722 1.00 0.00 O ATOM 311 CB ARG A 20 1.014 1.061 -11.817 1.00 0.00 C ATOM 312 CG ARG A 20 1.676 1.358 -13.164 1.00 0.00 C ATOM 313 CD ARG A 20 3.192 1.494 -13.012 1.00 0.00 C ATOM 314 NE ARG A 20 3.869 1.013 -14.237 1.00 0.00 N ATOM 315 CZ ARG A 20 4.058 -0.290 -14.535 1.00 0.00 C ATOM 316 NH1 ARG A 20 3.622 -1.255 -13.697 1.00 0.00 N ATOM 317 NH2 ARG A 20 4.676 -0.607 -15.657 1.00 0.00 N ATOM 0 H ARG A 20 -0.528 3.017 -11.050 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.802 0.770 -12.923 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.353 1.783 -11.074 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.321 0.075 -11.467 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.448 0.559 -13.869 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.265 2.278 -13.580 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.455 2.535 -12.826 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.532 0.921 -12.150 1.00 0.00 H new ATOM 0 HE ARG A 20 4.214 1.710 -14.897 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.146 -1.002 -12.831 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.769 -2.237 -13.930 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.003 0.128 -16.284 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.827 -1.587 -15.897 1.00 0.00 H new ATOM 330 N LYS A 21 -2.146 -0.532 -11.285 1.00 0.00 N ATOM 331 CA LYS A 21 -2.830 -1.443 -10.383 1.00 0.00 C ATOM 332 C LYS A 21 -1.807 -2.092 -9.448 1.00 0.00 C ATOM 333 O LYS A 21 -1.047 -2.965 -9.865 1.00 0.00 O ATOM 334 CB LYS A 21 -3.668 -2.451 -11.172 1.00 0.00 C ATOM 335 CG LYS A 21 -2.872 -3.027 -12.344 1.00 0.00 C ATOM 336 CD LYS A 21 -3.585 -2.766 -13.672 1.00 0.00 C ATOM 337 CE LYS A 21 -2.930 -3.553 -14.810 1.00 0.00 C ATOM 338 NZ LYS A 21 -3.334 -2.999 -16.122 1.00 0.00 N ATOM 0 H LYS A 21 -2.514 -0.518 -12.236 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.536 -0.899 -9.756 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.988 -3.258 -10.513 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.571 -1.967 -11.544 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.878 -2.581 -12.367 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.737 -4.100 -12.204 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.634 -3.048 -13.587 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.559 -1.700 -13.900 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.845 -3.514 -14.710 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.218 -4.602 -14.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.881 -3.544 -16.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.368 -3.059 -16.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.037 -2.004 -16.185 1.00 0.00 H new ATOM 351 N THR A 22 -1.821 -1.640 -8.203 1.00 0.00 N ATOM 352 CA THR A 22 -0.904 -2.166 -7.206 1.00 0.00 C ATOM 353 C THR A 22 -1.679 -2.792 -6.045 1.00 0.00 C ATOM 354 O THR A 22 -2.781 -2.352 -5.721 1.00 0.00 O ATOM 355 CB THR A 22 0.026 -1.031 -6.774 1.00 0.00 C ATOM 356 OG1 THR A 22 0.880 -0.834 -7.898 1.00 0.00 O ATOM 357 CG2 THR A 22 0.979 -1.449 -5.651 1.00 0.00 C ATOM 0 H THR A 22 -2.453 -0.915 -7.862 1.00 0.00 H new ATOM 0 HA THR A 22 -0.292 -2.969 -7.617 1.00 0.00 H new ATOM 0 HB THR A 22 -0.570 -0.179 -6.446 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.469 -0.190 -8.512 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.617 -0.607 -5.382 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.401 -1.759 -4.780 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.598 -2.279 -5.990 1.00 0.00 H new ATOM 365 N ILE A 23 -1.073 -3.809 -5.450 1.00 0.00 N ATOM 366 CA ILE A 23 -1.692 -4.500 -4.332 1.00 0.00 C ATOM 367 C ILE A 23 -1.109 -3.966 -3.022 1.00 0.00 C ATOM 368 O ILE A 23 0.018 -3.474 -2.995 1.00 0.00 O ATOM 369 CB ILE A 23 -1.554 -6.015 -4.495 1.00 0.00 C ATOM 370 CG1 ILE A 23 -0.804 -6.361 -5.783 1.00 0.00 C ATOM 371 CG2 ILE A 23 -2.920 -6.701 -4.425 1.00 0.00 C ATOM 372 CD1 ILE A 23 -0.896 -7.858 -6.085 1.00 0.00 C ATOM 0 H ILE A 23 -0.159 -4.171 -5.722 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.764 -4.302 -4.308 1.00 0.00 H new ATOM 0 HB ILE A 23 -0.960 -6.396 -3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.220 -5.792 -6.615 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.242 -6.069 -5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.793 -7.777 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.382 -6.494 -3.460 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.559 -6.321 -5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.355 -8.077 -7.005 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.457 -8.423 -5.263 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.942 -8.142 -6.203 1.00 0.00 H new ATOM 384 N THR A 24 -1.903 -4.082 -1.968 1.00 0.00 N ATOM 385 CA THR A 24 -1.480 -3.618 -0.658 1.00 0.00 C ATOM 386 C THR A 24 -1.500 -4.770 0.349 1.00 0.00 C ATOM 387 O THR A 24 -1.935 -5.874 0.025 1.00 0.00 O ATOM 388 CB THR A 24 -2.379 -2.446 -0.258 1.00 0.00 C ATOM 389 OG1 THR A 24 -3.665 -3.036 -0.093 1.00 0.00 O ATOM 390 CG2 THR A 24 -2.573 -1.442 -1.396 1.00 0.00 C ATOM 0 H THR A 24 -2.837 -4.491 -1.995 1.00 0.00 H new ATOM 0 HA THR A 24 -0.449 -3.264 -0.678 1.00 0.00 H new ATOM 0 HB THR A 24 -1.950 -1.938 0.605 1.00 0.00 H new ATOM 0 HG1 THR A 24 -4.057 -3.217 -0.973 1.00 0.00 H new ATOM 0 HG21 THR A 24 -3.219 -0.631 -1.059 1.00 0.00 H new ATOM 0 HG22 THR A 24 -1.606 -1.037 -1.693 1.00 0.00 H new ATOM 0 HG23 THR A 24 -3.033 -1.942 -2.248 1.00 0.00 H new ATOM 398 N ILE A 25 -1.023 -4.473 1.549 1.00 0.00 N ATOM 399 CA ILE A 25 -0.980 -5.471 2.605 1.00 0.00 C ATOM 400 C ILE A 25 -1.502 -4.854 3.904 1.00 0.00 C ATOM 401 O ILE A 25 -1.034 -3.798 4.326 1.00 0.00 O ATOM 402 CB ILE A 25 0.426 -6.062 2.726 1.00 0.00 C ATOM 403 CG1 ILE A 25 0.913 -6.599 1.379 1.00 0.00 C ATOM 404 CG2 ILE A 25 0.478 -7.130 3.821 1.00 0.00 C ATOM 405 CD1 ILE A 25 1.739 -5.546 0.636 1.00 0.00 C ATOM 0 H ILE A 25 -0.663 -3.556 1.814 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.633 -6.310 2.365 1.00 0.00 H new ATOM 0 HB ILE A 25 1.108 -5.264 3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.515 -7.494 1.536 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.058 -6.892 0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.488 -7.535 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.202 -6.685 4.777 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.219 -7.932 3.580 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.073 -5.953 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.127 -4.662 0.459 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.606 -5.273 1.237 1.00 0.00 H new ATOM 417 N ARG A 26 -2.466 -5.540 4.501 1.00 0.00 N ATOM 418 CA ARG A 26 -3.057 -5.074 5.744 1.00 0.00 C ATOM 419 C ARG A 26 -3.033 -6.186 6.794 1.00 0.00 C ATOM 420 O ARG A 26 -2.698 -7.329 6.485 1.00 0.00 O ATOM 421 CB ARG A 26 -4.501 -4.615 5.529 1.00 0.00 C ATOM 422 CG ARG A 26 -4.667 -3.950 4.161 1.00 0.00 C ATOM 423 CD ARG A 26 -4.105 -2.527 4.171 1.00 0.00 C ATOM 424 NE ARG A 26 -2.928 -2.442 3.278 1.00 0.00 N ATOM 425 CZ ARG A 26 -1.902 -1.583 3.458 1.00 0.00 C ATOM 426 NH1 ARG A 26 -1.899 -0.728 4.502 1.00 0.00 N ATOM 427 NH2 ARG A 26 -0.901 -1.593 2.597 1.00 0.00 N ATOM 0 H ARG A 26 -2.852 -6.415 4.147 1.00 0.00 H new ATOM 0 HA ARG A 26 -2.467 -4.227 6.094 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.173 -5.470 5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -4.785 -3.915 6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.156 -4.541 3.401 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.723 -3.926 3.890 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.870 -1.822 3.846 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.823 -2.245 5.186 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.889 -3.072 2.476 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.676 -0.727 5.163 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.120 -0.082 4.630 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.911 -2.243 1.811 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -0.118 -0.951 2.718 1.00 0.00 H new ATOM 440 N ASP A 27 -3.393 -5.813 8.013 1.00 0.00 N ATOM 441 CA ASP A 27 -3.417 -6.765 9.111 1.00 0.00 C ATOM 442 C ASP A 27 -4.864 -7.178 9.390 1.00 0.00 C ATOM 443 O ASP A 27 -5.738 -6.325 9.539 1.00 0.00 O ATOM 444 CB ASP A 27 -2.846 -6.148 10.388 1.00 0.00 C ATOM 445 CG ASP A 27 -3.045 -6.983 11.655 1.00 0.00 C ATOM 446 OD1 ASP A 27 -3.543 -8.117 11.601 1.00 0.00 O ATOM 447 OD2 ASP A 27 -2.658 -6.416 12.748 1.00 0.00 O ATOM 0 H ASP A 27 -3.671 -4.864 8.265 1.00 0.00 H new ATOM 0 HA ASP A 27 -2.811 -7.625 8.825 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.779 -5.979 10.246 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.306 -5.171 10.539 1.00 0.00 H new ATOM 453 N GLU A 28 -5.071 -8.485 9.454 1.00 0.00 N ATOM 454 CA GLU A 28 -6.397 -9.020 9.714 1.00 0.00 C ATOM 455 C GLU A 28 -6.975 -8.410 10.992 1.00 0.00 C ATOM 456 O GLU A 28 -8.163 -8.097 11.052 1.00 0.00 O ATOM 457 CB GLU A 28 -6.363 -10.547 9.802 1.00 0.00 C ATOM 458 CG GLU A 28 -7.666 -11.091 10.392 1.00 0.00 C ATOM 459 CD GLU A 28 -8.864 -10.708 9.520 1.00 0.00 C ATOM 460 OE1 GLU A 28 -8.684 -10.304 8.362 1.00 0.00 O ATOM 461 OE2 GLU A 28 -10.016 -10.844 10.086 1.00 0.00 O ATOM 0 H GLU A 28 -4.343 -9.189 9.330 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.046 -8.750 8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.205 -10.969 8.809 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.521 -10.861 10.419 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.606 -12.176 10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.805 -10.699 11.400 1.00 0.00 H new ATOM 469 N SER A 29 -6.108 -8.259 11.982 1.00 0.00 N ATOM 470 CA SER A 29 -6.518 -7.691 13.255 1.00 0.00 C ATOM 471 C SER A 29 -7.010 -6.256 13.055 1.00 0.00 C ATOM 472 O SER A 29 -7.668 -5.694 13.928 1.00 0.00 O ATOM 473 CB SER A 29 -5.371 -7.722 14.267 1.00 0.00 C ATOM 474 OG SER A 29 -5.599 -6.837 15.361 1.00 0.00 O ATOM 0 H SER A 29 -5.123 -8.520 11.929 1.00 0.00 H new ATOM 0 HA SER A 29 -7.334 -8.296 13.652 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.246 -8.738 14.642 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.441 -7.450 13.769 1.00 0.00 H new ATOM 0 HG SER A 29 -4.845 -6.887 15.985 1.00 0.00 H new ATOM 480 N GLU A 30 -6.671 -5.705 11.899 1.00 0.00 N ATOM 481 CA GLU A 30 -7.070 -4.346 11.572 1.00 0.00 C ATOM 482 C GLU A 30 -7.948 -4.337 10.319 1.00 0.00 C ATOM 483 O GLU A 30 -8.223 -3.278 9.757 1.00 0.00 O ATOM 484 CB GLU A 30 -5.847 -3.444 11.391 1.00 0.00 C ATOM 485 CG GLU A 30 -5.379 -2.879 12.733 1.00 0.00 C ATOM 486 CD GLU A 30 -6.135 -1.595 13.081 1.00 0.00 C ATOM 487 OE1 GLU A 30 -6.499 -0.826 12.178 1.00 0.00 O ATOM 488 OE2 GLU A 30 -6.341 -1.407 14.340 1.00 0.00 O ATOM 0 H GLU A 30 -6.125 -6.175 11.177 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.653 -3.950 12.403 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.038 -4.010 10.929 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.091 -2.626 10.713 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.533 -3.620 13.517 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.309 -2.676 12.693 1.00 0.00 H new ATOM 496 N SER A 31 -8.364 -5.530 9.919 1.00 0.00 N ATOM 497 CA SER A 31 -9.206 -5.673 8.743 1.00 0.00 C ATOM 498 C SER A 31 -10.219 -4.529 8.683 1.00 0.00 C ATOM 499 O SER A 31 -11.018 -4.353 9.602 1.00 0.00 O ATOM 500 CB SER A 31 -9.927 -7.022 8.743 1.00 0.00 C ATOM 501 OG SER A 31 -11.322 -6.881 8.489 1.00 0.00 O ATOM 0 H SER A 31 -8.134 -6.406 10.388 1.00 0.00 H new ATOM 0 HA SER A 31 -8.569 -5.632 7.859 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.484 -7.670 7.986 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.781 -7.511 9.706 1.00 0.00 H new ATOM 0 HG SER A 31 -11.747 -7.764 8.496 1.00 0.00 H new ATOM 507 N HIS A 32 -10.154 -3.779 7.592 1.00 0.00 N ATOM 508 CA HIS A 32 -11.057 -2.657 7.400 1.00 0.00 C ATOM 509 C HIS A 32 -11.999 -2.950 6.231 1.00 0.00 C ATOM 510 O HIS A 32 -12.520 -4.058 6.111 1.00 0.00 O ATOM 511 CB HIS A 32 -10.274 -1.355 7.219 1.00 0.00 C ATOM 512 CG HIS A 32 -9.435 -1.312 5.965 1.00 0.00 C ATOM 513 ND1 HIS A 32 -9.370 -2.170 4.906 1.00 0.00 N flip ATOM 514 CD2 HIS A 32 -8.532 -0.297 5.701 1.00 0.00 C flip ATOM 515 CE1 HIS A 32 -8.477 -1.704 4.042 1.00 0.00 C flip ATOM 516 NE2 HIS A 32 -7.956 -0.542 4.533 1.00 0.00 N flip ATOM 0 H HIS A 32 -9.490 -3.927 6.832 1.00 0.00 H new ATOM 0 HA HIS A 32 -11.671 -2.523 8.291 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.975 -0.521 7.203 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -9.625 -1.210 8.083 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -8.331 0.551 6.339 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.207 -2.168 3.105 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.248 0.036 4.081 1.00 0.00 H new ATOM 524 N PHE A 33 -12.188 -1.937 5.397 1.00 0.00 N ATOM 525 CA PHE A 33 -13.059 -2.072 4.242 1.00 0.00 C ATOM 526 C PHE A 33 -12.759 -3.363 3.477 1.00 0.00 C ATOM 527 O PHE A 33 -11.828 -4.091 3.821 1.00 0.00 O ATOM 528 CB PHE A 33 -12.779 -0.877 3.329 1.00 0.00 C ATOM 529 CG PHE A 33 -12.778 0.472 4.052 1.00 0.00 C ATOM 530 CD1 PHE A 33 -13.956 1.077 4.362 1.00 0.00 C ATOM 531 CD2 PHE A 33 -11.600 1.064 4.385 1.00 0.00 C ATOM 532 CE1 PHE A 33 -13.956 2.329 5.033 1.00 0.00 C ATOM 533 CE2 PHE A 33 -11.600 2.316 5.056 1.00 0.00 C ATOM 534 CZ PHE A 33 -12.778 2.921 5.366 1.00 0.00 C ATOM 0 H PHE A 33 -11.753 -1.020 5.499 1.00 0.00 H new ATOM 0 HA PHE A 33 -14.100 -2.104 4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.812 -1.020 2.847 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -13.529 -0.853 2.538 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -14.891 0.606 4.098 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -10.665 0.583 4.139 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -14.891 2.810 5.279 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -10.665 2.787 5.320 1.00 0.00 H new ATOM 0 HZ PHE A 33 -12.778 3.872 5.877 1.00 0.00 H new ATOM 544 N LYS A 34 -13.565 -3.609 2.455 1.00 0.00 N ATOM 545 CA LYS A 34 -13.397 -4.799 1.639 1.00 0.00 C ATOM 546 C LYS A 34 -13.411 -4.406 0.161 1.00 0.00 C ATOM 547 O LYS A 34 -13.363 -3.222 -0.171 1.00 0.00 O ATOM 548 CB LYS A 34 -14.446 -5.852 2.005 1.00 0.00 C ATOM 549 CG LYS A 34 -13.998 -6.673 3.216 1.00 0.00 C ATOM 550 CD LYS A 34 -15.188 -7.018 4.114 1.00 0.00 C ATOM 551 CE LYS A 34 -14.939 -8.321 4.877 1.00 0.00 C ATOM 552 NZ LYS A 34 -15.955 -8.503 5.937 1.00 0.00 N ATOM 0 H LYS A 34 -14.337 -3.004 2.173 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.430 -5.262 1.837 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.396 -5.364 2.223 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -14.615 -6.513 1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.514 -7.590 2.880 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.258 -6.112 3.787 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.363 -6.206 4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.089 -7.113 3.509 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.969 -9.165 4.187 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.943 -8.306 5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.771 -9.392 6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.907 -7.707 6.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.902 -8.539 5.508 1.00 0.00 H new ATOM 565 N THR A 35 -13.478 -5.420 -0.689 1.00 0.00 N ATOM 566 CA THR A 35 -13.499 -5.195 -2.124 1.00 0.00 C ATOM 567 C THR A 35 -14.827 -4.562 -2.545 1.00 0.00 C ATOM 568 O THR A 35 -15.862 -4.815 -1.930 1.00 0.00 O ATOM 569 CB THR A 35 -13.216 -6.530 -2.816 1.00 0.00 C ATOM 570 OG1 THR A 35 -11.987 -6.965 -2.242 1.00 0.00 O ATOM 571 CG2 THR A 35 -12.894 -6.361 -4.303 1.00 0.00 C ATOM 0 H THR A 35 -13.518 -6.401 -0.411 1.00 0.00 H new ATOM 0 HA THR A 35 -12.727 -4.486 -2.425 1.00 0.00 H new ATOM 0 HB THR A 35 -14.078 -7.188 -2.703 1.00 0.00 H new ATOM 0 HG1 THR A 35 -11.600 -7.675 -2.796 1.00 0.00 H new ATOM 0 HG21 THR A 35 -12.701 -7.338 -4.747 1.00 0.00 H new ATOM 0 HG22 THR A 35 -13.740 -5.894 -4.808 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.012 -5.731 -4.415 1.00 0.00 H new ATOM 579 N GLY A 36 -14.754 -3.750 -3.589 1.00 0.00 N ATOM 580 CA GLY A 36 -15.937 -3.079 -4.099 1.00 0.00 C ATOM 581 C GLY A 36 -16.124 -1.715 -3.432 1.00 0.00 C ATOM 582 O GLY A 36 -16.897 -0.886 -3.911 1.00 0.00 O ATOM 0 H GLY A 36 -13.894 -3.542 -4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.850 -2.951 -5.178 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.816 -3.698 -3.921 1.00 0.00 H new ATOM 586 N ASP A 37 -15.405 -1.525 -2.336 1.00 0.00 N ATOM 587 CA ASP A 37 -15.482 -0.275 -1.598 1.00 0.00 C ATOM 588 C ASP A 37 -14.485 0.724 -2.189 1.00 0.00 C ATOM 589 O ASP A 37 -13.898 0.472 -3.240 1.00 0.00 O ATOM 590 CB ASP A 37 -15.125 -0.483 -0.125 1.00 0.00 C ATOM 591 CG ASP A 37 -16.313 -0.446 0.839 1.00 0.00 C ATOM 592 OD1 ASP A 37 -16.856 0.627 1.142 1.00 0.00 O ATOM 593 OD2 ASP A 37 -16.684 -1.595 1.293 1.00 0.00 O ATOM 0 H ASP A 37 -14.766 -2.215 -1.941 1.00 0.00 H new ATOM 0 HA ASP A 37 -16.503 0.098 -1.673 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.621 -1.444 -0.021 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.411 0.285 0.172 1.00 0.00 H new ATOM 599 N VAL A 38 -14.324 1.836 -1.487 1.00 0.00 N ATOM 600 CA VAL A 38 -13.408 2.874 -1.929 1.00 0.00 C ATOM 601 C VAL A 38 -12.178 2.884 -1.019 1.00 0.00 C ATOM 602 O VAL A 38 -12.277 2.578 0.169 1.00 0.00 O ATOM 603 CB VAL A 38 -14.129 4.222 -1.975 1.00 0.00 C ATOM 604 CG1 VAL A 38 -13.378 5.274 -1.155 1.00 0.00 C ATOM 605 CG2 VAL A 38 -14.324 4.690 -3.419 1.00 0.00 C ATOM 0 H VAL A 38 -14.812 2.041 -0.615 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.061 2.672 -2.942 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.115 4.090 -1.529 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.912 6.223 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -13.313 4.948 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.374 5.401 -1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -14.839 5.651 -3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -13.352 4.797 -3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -14.920 3.956 -3.962 1.00 0.00 H new ATOM 615 N LEU A 39 -11.047 3.240 -1.610 1.00 0.00 N ATOM 616 CA LEU A 39 -9.799 3.294 -0.867 1.00 0.00 C ATOM 617 C LEU A 39 -9.165 4.675 -1.044 1.00 0.00 C ATOM 618 O LEU A 39 -8.560 4.956 -2.078 1.00 0.00 O ATOM 619 CB LEU A 39 -8.882 2.139 -1.275 1.00 0.00 C ATOM 620 CG LEU A 39 -8.518 1.148 -0.167 1.00 0.00 C ATOM 621 CD1 LEU A 39 -9.608 1.100 0.905 1.00 0.00 C ATOM 622 CD2 LEU A 39 -8.222 -0.237 -0.746 1.00 0.00 C ATOM 0 H LEU A 39 -10.968 3.494 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.984 3.162 0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.362 1.589 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.960 2.558 -1.678 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.606 1.496 0.317 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.325 0.388 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -9.728 2.089 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.549 0.788 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.966 -0.922 0.062 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.102 -0.608 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.386 -0.169 -1.442 1.00 0.00 H new ATOM 634 N ARG A 40 -9.325 5.500 -0.020 1.00 0.00 N ATOM 635 CA ARG A 40 -8.776 6.845 -0.050 1.00 0.00 C ATOM 636 C ARG A 40 -7.273 6.811 0.237 1.00 0.00 C ATOM 637 O ARG A 40 -6.843 6.254 1.245 1.00 0.00 O ATOM 638 CB ARG A 40 -9.464 7.744 0.978 1.00 0.00 C ATOM 639 CG ARG A 40 -9.591 9.177 0.457 1.00 0.00 C ATOM 640 CD ARG A 40 -11.010 9.711 0.661 1.00 0.00 C ATOM 641 NE ARG A 40 -11.231 10.901 -0.192 1.00 0.00 N ATOM 642 CZ ARG A 40 -12.186 11.828 0.035 1.00 0.00 C ATOM 643 NH1 ARG A 40 -13.019 11.710 1.090 1.00 0.00 N ATOM 644 NH2 ARG A 40 -12.294 12.851 -0.792 1.00 0.00 N ATOM 0 H ARG A 40 -9.827 5.263 0.836 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.950 7.252 -1.046 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.453 7.348 1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.895 7.741 1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.879 9.820 0.974 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.336 9.206 -0.602 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.737 8.937 0.415 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.162 9.971 1.709 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.624 11.028 -1.002 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.930 10.916 1.724 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.738 12.415 1.254 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.661 12.932 -1.588 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.010 13.560 -0.635 1.00 0.00 H new ATOM 657 N VAL A 41 -6.516 7.414 -0.668 1.00 0.00 N ATOM 658 CA VAL A 41 -5.071 7.460 -0.525 1.00 0.00 C ATOM 659 C VAL A 41 -4.642 8.888 -0.180 1.00 0.00 C ATOM 660 O VAL A 41 -5.405 9.833 -0.376 1.00 0.00 O ATOM 661 CB VAL A 41 -4.402 6.924 -1.792 1.00 0.00 C ATOM 662 CG1 VAL A 41 -4.901 5.515 -2.121 1.00 0.00 C ATOM 663 CG2 VAL A 41 -4.623 7.873 -2.972 1.00 0.00 C ATOM 0 H VAL A 41 -6.877 7.875 -1.503 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.748 6.817 0.293 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.330 6.865 -1.606 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.410 5.157 -3.026 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.670 4.845 -1.293 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.979 5.538 -2.278 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.137 7.469 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.692 7.978 -3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.198 8.849 -2.739 1.00 0.00 H new ATOM 673 N GLY A 42 -3.423 8.999 0.326 1.00 0.00 N ATOM 674 CA GLY A 42 -2.883 10.296 0.699 1.00 0.00 C ATOM 675 C GLY A 42 -1.360 10.239 0.827 1.00 0.00 C ATOM 676 O GLY A 42 -0.642 10.511 -0.135 1.00 0.00 O ATOM 0 H GLY A 42 -2.794 8.213 0.487 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.161 11.039 -0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.319 10.617 1.645 1.00 0.00 H new ATOM 680 N ARG A 43 -0.911 9.885 2.022 1.00 0.00 N ATOM 681 CA ARG A 43 0.515 9.790 2.288 1.00 0.00 C ATOM 682 C ARG A 43 0.757 9.382 3.742 1.00 0.00 C ATOM 683 O ARG A 43 0.237 10.012 4.662 1.00 0.00 O ATOM 684 CB ARG A 43 1.216 11.122 2.015 1.00 0.00 C ATOM 685 CG ARG A 43 2.568 10.900 1.332 1.00 0.00 C ATOM 686 CD ARG A 43 3.319 12.222 1.161 1.00 0.00 C ATOM 687 NE ARG A 43 2.664 13.045 0.120 1.00 0.00 N ATOM 688 CZ ARG A 43 3.019 14.313 -0.177 1.00 0.00 C ATOM 689 NH1 ARG A 43 4.027 14.916 0.488 1.00 0.00 N ATOM 690 NH2 ARG A 43 2.365 14.955 -1.127 1.00 0.00 N ATOM 0 H ARG A 43 -1.509 9.660 2.817 1.00 0.00 H new ATOM 0 HA ARG A 43 0.927 9.033 1.621 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.584 11.747 1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.362 11.659 2.952 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.169 10.210 1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 43 2.416 10.436 0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.338 12.764 2.106 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.355 12.028 0.884 1.00 0.00 H new ATOM 0 HE ARG A 43 1.896 12.628 -0.406 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.527 14.413 1.221 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.289 15.874 0.257 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.604 14.492 -1.624 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.621 15.914 -1.364 1.00 0.00 H new ATOM 703 N PHE A 44 1.548 8.331 3.905 1.00 0.00 N ATOM 704 CA PHE A 44 1.866 7.832 5.232 1.00 0.00 C ATOM 705 C PHE A 44 2.722 8.837 6.005 1.00 0.00 C ATOM 706 O PHE A 44 2.723 8.840 7.235 1.00 0.00 O ATOM 707 CB PHE A 44 2.663 6.540 5.045 1.00 0.00 C ATOM 708 CG PHE A 44 2.277 5.424 6.018 1.00 0.00 C ATOM 709 CD1 PHE A 44 2.087 5.707 7.335 1.00 0.00 C ATOM 710 CD2 PHE A 44 2.124 4.151 5.567 1.00 0.00 C ATOM 711 CE1 PHE A 44 1.729 4.672 8.239 1.00 0.00 C ATOM 712 CE2 PHE A 44 1.766 3.115 6.471 1.00 0.00 C ATOM 713 CZ PHE A 44 1.576 3.398 7.788 1.00 0.00 C ATOM 0 H PHE A 44 1.978 7.811 3.140 1.00 0.00 H new ATOM 0 HA PHE A 44 0.948 7.666 5.797 1.00 0.00 H new ATOM 0 HB2 PHE A 44 2.523 6.183 4.025 1.00 0.00 H new ATOM 0 HB3 PHE A 44 3.724 6.760 5.163 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.208 6.719 7.693 1.00 0.00 H new ATOM 0 HD2 PHE A 44 2.275 3.927 4.521 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.578 4.896 9.285 1.00 0.00 H new ATOM 0 HE2 PHE A 44 1.645 2.103 6.113 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.304 2.611 8.476 1.00 0.00 H new ATOM 723 N GLU A 45 3.428 9.667 5.252 1.00 0.00 N ATOM 724 CA GLU A 45 4.286 10.675 5.851 1.00 0.00 C ATOM 725 C GLU A 45 3.500 11.505 6.869 1.00 0.00 C ATOM 726 O GLU A 45 3.949 11.697 7.998 1.00 0.00 O ATOM 727 CB GLU A 45 4.912 11.571 4.780 1.00 0.00 C ATOM 728 CG GLU A 45 6.438 11.566 4.884 1.00 0.00 C ATOM 729 CD GLU A 45 6.985 12.991 4.990 1.00 0.00 C ATOM 730 OE1 GLU A 45 6.589 13.866 4.206 1.00 0.00 O ATOM 731 OE2 GLU A 45 7.851 13.174 5.928 1.00 0.00 O ATOM 0 H GLU A 45 3.424 9.662 4.232 1.00 0.00 H new ATOM 0 HA GLU A 45 5.098 10.168 6.373 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.610 11.226 3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.540 12.590 4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.745 10.989 5.756 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.864 11.073 4.010 1.00 0.00 H new ATOM 739 N ASP A 46 2.341 11.975 6.432 1.00 0.00 N ATOM 740 CA ASP A 46 1.489 12.780 7.290 1.00 0.00 C ATOM 741 C ASP A 46 0.402 13.445 6.443 1.00 0.00 C ATOM 742 O ASP A 46 -0.697 13.705 6.930 1.00 0.00 O ATOM 743 CB ASP A 46 2.289 13.884 7.983 1.00 0.00 C ATOM 744 CG ASP A 46 1.896 15.310 7.593 1.00 0.00 C ATOM 745 OD1 ASP A 46 0.745 15.730 7.784 1.00 0.00 O ATOM 746 OD2 ASP A 46 2.842 16.011 7.065 1.00 0.00 O ATOM 0 H ASP A 46 1.972 11.814 5.495 1.00 0.00 H new ATOM 0 HA ASP A 46 1.054 12.123 8.043 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.173 13.773 9.061 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.346 13.741 7.760 1.00 0.00 H new ATOM 752 N ASP A 47 0.747 13.701 5.190 1.00 0.00 N ATOM 753 CA ASP A 47 -0.186 14.331 4.271 1.00 0.00 C ATOM 754 C ASP A 47 -1.570 13.703 4.445 1.00 0.00 C ATOM 755 O ASP A 47 -2.505 14.367 4.888 1.00 0.00 O ATOM 756 CB ASP A 47 0.248 14.123 2.818 1.00 0.00 C ATOM 757 CG ASP A 47 0.324 15.399 1.977 1.00 0.00 C ATOM 758 OD1 ASP A 47 -0.706 15.964 1.579 1.00 0.00 O ATOM 759 OD2 ASP A 47 1.518 15.818 1.730 1.00 0.00 O ATOM 0 H ASP A 47 1.660 13.484 4.789 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.209 15.398 4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.227 13.643 2.812 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.448 13.433 2.342 1.00 0.00 H new ATOM 765 N GLY A 48 -1.656 12.430 4.088 1.00 0.00 N ATOM 766 CA GLY A 48 -2.911 11.705 4.200 1.00 0.00 C ATOM 767 C GLY A 48 -4.029 12.424 3.443 1.00 0.00 C ATOM 768 O GLY A 48 -3.897 13.599 3.103 1.00 0.00 O ATOM 0 H GLY A 48 -0.878 11.882 3.721 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.789 10.697 3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.184 11.604 5.250 1.00 0.00 H new ATOM 772 N TYR A 49 -5.105 11.689 3.202 1.00 0.00 N ATOM 773 CA TYR A 49 -6.245 12.242 2.492 1.00 0.00 C ATOM 774 C TYR A 49 -5.792 13.192 1.381 1.00 0.00 C ATOM 775 O TYR A 49 -5.604 14.384 1.618 1.00 0.00 O ATOM 776 CB TYR A 49 -7.045 13.034 3.529 1.00 0.00 C ATOM 777 CG TYR A 49 -8.144 13.912 2.929 1.00 0.00 C ATOM 778 CD1 TYR A 49 -9.378 13.368 2.635 1.00 0.00 C ATOM 779 CD2 TYR A 49 -7.902 15.248 2.682 1.00 0.00 C ATOM 780 CE1 TYR A 49 -10.413 14.195 2.071 1.00 0.00 C ATOM 781 CE2 TYR A 49 -8.938 16.075 2.117 1.00 0.00 C ATOM 782 CZ TYR A 49 -10.142 15.507 1.840 1.00 0.00 C ATOM 783 OH TYR A 49 -11.120 16.288 1.307 1.00 0.00 O ATOM 0 H TYR A 49 -5.211 10.715 3.486 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.831 11.447 2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.496 12.337 4.235 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -6.360 13.664 4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.567 12.322 2.828 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.936 15.674 2.912 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -11.383 13.782 1.837 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.762 17.122 1.918 1.00 0.00 H new ATOM 0 HH TYR A 49 -10.785 17.203 1.198 1.00 0.00 H new ATOM 793 N PHE A 50 -5.630 12.628 0.194 1.00 0.00 N ATOM 794 CA PHE A 50 -5.202 13.410 -0.954 1.00 0.00 C ATOM 795 C PHE A 50 -5.992 13.023 -2.206 1.00 0.00 C ATOM 796 O PHE A 50 -6.548 13.885 -2.884 1.00 0.00 O ATOM 797 CB PHE A 50 -3.722 13.096 -1.182 1.00 0.00 C ATOM 798 CG PHE A 50 -2.994 14.126 -2.048 1.00 0.00 C ATOM 799 CD1 PHE A 50 -3.077 15.450 -1.745 1.00 0.00 C ATOM 800 CD2 PHE A 50 -2.263 13.719 -3.120 1.00 0.00 C ATOM 801 CE1 PHE A 50 -2.401 16.406 -2.548 1.00 0.00 C ATOM 802 CE2 PHE A 50 -1.588 14.675 -3.924 1.00 0.00 C ATOM 803 CZ PHE A 50 -1.671 15.998 -3.621 1.00 0.00 C ATOM 0 H PHE A 50 -5.787 11.639 0.002 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.369 14.470 -0.765 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.222 13.030 -0.216 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.637 12.116 -1.652 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.657 15.774 -0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.196 12.668 -3.360 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.466 17.457 -2.307 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.009 14.351 -4.776 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.157 16.725 -4.232 1.00 0.00 H new ATOM 813 N CYS A 51 -6.015 11.726 -2.475 1.00 0.00 N ATOM 814 CA CYS A 51 -6.728 11.215 -3.633 1.00 0.00 C ATOM 815 C CYS A 51 -7.643 10.079 -3.172 1.00 0.00 C ATOM 816 O CYS A 51 -7.672 9.742 -1.989 1.00 0.00 O ATOM 817 CB CYS A 51 -5.766 10.761 -4.734 1.00 0.00 C ATOM 818 SG CYS A 51 -4.453 12.012 -4.973 1.00 0.00 S ATOM 0 H CYS A 51 -5.551 11.014 -1.911 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.331 12.010 -4.072 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.322 9.802 -4.467 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -6.311 10.612 -5.666 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.952 12.341 -3.819 1.00 0.00 H new ATOM 824 N THR A 52 -8.370 9.522 -4.129 1.00 0.00 N ATOM 825 CA THR A 52 -9.285 8.431 -3.835 1.00 0.00 C ATOM 826 C THR A 52 -9.163 7.334 -4.894 1.00 0.00 C ATOM 827 O THR A 52 -8.895 7.618 -6.060 1.00 0.00 O ATOM 828 CB THR A 52 -10.695 9.014 -3.724 1.00 0.00 C ATOM 829 OG1 THR A 52 -10.494 10.301 -3.145 1.00 0.00 O ATOM 830 CG2 THR A 52 -11.555 8.274 -2.697 1.00 0.00 C ATOM 0 H THR A 52 -8.345 9.805 -5.109 1.00 0.00 H new ATOM 0 HA THR A 52 -9.040 7.953 -2.887 1.00 0.00 H new ATOM 0 HB THR A 52 -11.181 8.977 -4.699 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.358 10.750 -3.039 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.545 8.727 -2.657 1.00 0.00 H new ATOM 0 HG22 THR A 52 -11.647 7.227 -2.986 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.086 8.340 -1.715 1.00 0.00 H new ATOM 838 N ILE A 53 -9.366 6.102 -4.449 1.00 0.00 N ATOM 839 CA ILE A 53 -9.283 4.960 -5.344 1.00 0.00 C ATOM 840 C ILE A 53 -10.322 3.916 -4.930 1.00 0.00 C ATOM 841 O ILE A 53 -10.969 4.057 -3.893 1.00 0.00 O ATOM 842 CB ILE A 53 -7.852 4.419 -5.389 1.00 0.00 C ATOM 843 CG1 ILE A 53 -7.693 3.210 -4.464 1.00 0.00 C ATOM 844 CG2 ILE A 53 -6.839 5.520 -5.072 1.00 0.00 C ATOM 845 CD1 ILE A 53 -6.224 2.989 -4.098 1.00 0.00 C ATOM 0 H ILE A 53 -9.588 5.870 -3.481 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.520 5.258 -6.365 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.648 4.077 -6.404 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -8.278 3.362 -3.557 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -8.088 2.319 -4.953 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -5.830 5.109 -5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -6.932 6.322 -5.804 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.031 5.915 -4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -6.139 2.124 -3.440 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.646 2.813 -5.005 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.839 3.872 -3.588 1.00 0.00 H new ATOM 857 N GLU A 54 -10.450 2.893 -5.761 1.00 0.00 N ATOM 858 CA GLU A 54 -11.400 1.826 -5.495 1.00 0.00 C ATOM 859 C GLU A 54 -10.688 0.472 -5.486 1.00 0.00 C ATOM 860 O GLU A 54 -9.663 0.301 -6.144 1.00 0.00 O ATOM 861 CB GLU A 54 -12.540 1.840 -6.514 1.00 0.00 C ATOM 862 CG GLU A 54 -13.840 2.335 -5.877 1.00 0.00 C ATOM 863 CD GLU A 54 -14.980 2.349 -6.897 1.00 0.00 C ATOM 864 OE1 GLU A 54 -14.810 1.859 -8.023 1.00 0.00 O ATOM 865 OE2 GLU A 54 -16.075 2.891 -6.483 1.00 0.00 O ATOM 0 H GLU A 54 -9.911 2.780 -6.620 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.836 1.991 -4.510 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.274 2.483 -7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.686 0.837 -6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -14.106 1.692 -5.038 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.694 3.338 -5.476 1.00 0.00 H new ATOM 873 N VAL A 55 -11.260 -0.457 -4.734 1.00 0.00 N ATOM 874 CA VAL A 55 -10.693 -1.791 -4.631 1.00 0.00 C ATOM 875 C VAL A 55 -10.987 -2.565 -5.918 1.00 0.00 C ATOM 876 O VAL A 55 -12.077 -2.456 -6.477 1.00 0.00 O ATOM 877 CB VAL A 55 -11.224 -2.490 -3.378 1.00 0.00 C ATOM 878 CG1 VAL A 55 -10.147 -3.374 -2.746 1.00 0.00 C ATOM 879 CG2 VAL A 55 -11.760 -1.473 -2.369 1.00 0.00 C ATOM 0 H VAL A 55 -12.111 -0.312 -4.190 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.610 -1.739 -4.523 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.052 -3.133 -3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -10.550 -3.859 -1.857 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.832 -4.133 -3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.290 -2.761 -2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.131 -1.996 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.959 -0.793 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.572 -0.904 -2.822 1.00 0.00 H new ATOM 889 N THR A 56 -9.995 -3.331 -6.349 1.00 0.00 N ATOM 890 CA THR A 56 -10.134 -4.124 -7.559 1.00 0.00 C ATOM 891 C THR A 56 -10.218 -5.612 -7.215 1.00 0.00 C ATOM 892 O THR A 56 -11.073 -6.326 -7.737 1.00 0.00 O ATOM 893 CB THR A 56 -8.966 -3.780 -8.485 1.00 0.00 C ATOM 894 OG1 THR A 56 -9.307 -4.404 -9.720 1.00 0.00 O ATOM 895 CG2 THR A 56 -7.664 -4.467 -8.067 1.00 0.00 C ATOM 0 H THR A 56 -9.092 -3.419 -5.882 1.00 0.00 H new ATOM 0 HA THR A 56 -11.062 -3.891 -8.081 1.00 0.00 H new ATOM 0 HB THR A 56 -8.818 -2.700 -8.497 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.603 -4.230 -10.380 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.868 -4.189 -8.758 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.395 -4.154 -7.058 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.800 -5.548 -8.087 1.00 0.00 H new ATOM 903 N ALA A 57 -9.320 -6.036 -6.338 1.00 0.00 N ATOM 904 CA ALA A 57 -9.283 -7.426 -5.917 1.00 0.00 C ATOM 905 C ALA A 57 -8.660 -7.516 -4.523 1.00 0.00 C ATOM 906 O ALA A 57 -8.100 -6.541 -4.024 1.00 0.00 O ATOM 907 CB ALA A 57 -8.516 -8.252 -6.953 1.00 0.00 C ATOM 0 H ALA A 57 -8.612 -5.441 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.291 -7.835 -5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -8.488 -9.295 -6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -9.015 -8.178 -7.919 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -7.498 -7.872 -7.040 1.00 0.00 H new ATOM 913 N THR A 58 -8.777 -8.696 -3.932 1.00 0.00 N ATOM 914 CA THR A 58 -8.233 -8.927 -2.605 1.00 0.00 C ATOM 915 C THR A 58 -7.698 -10.356 -2.488 1.00 0.00 C ATOM 916 O THR A 58 -8.228 -11.273 -3.113 1.00 0.00 O ATOM 917 CB THR A 58 -9.324 -8.601 -1.583 1.00 0.00 C ATOM 918 OG1 THR A 58 -9.352 -7.177 -1.547 1.00 0.00 O ATOM 919 CG2 THR A 58 -8.932 -9.003 -0.160 1.00 0.00 C ATOM 0 H THR A 58 -9.241 -9.503 -4.349 1.00 0.00 H new ATOM 0 HA THR A 58 -7.380 -8.278 -2.409 1.00 0.00 H new ATOM 0 HB THR A 58 -10.247 -9.110 -1.862 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.251 -6.862 -1.778 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.741 -8.750 0.525 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.748 -10.077 -0.123 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.028 -8.469 0.133 1.00 0.00 H new ATOM 927 N SER A 59 -6.655 -10.499 -1.684 1.00 0.00 N ATOM 928 CA SER A 59 -6.043 -11.801 -1.477 1.00 0.00 C ATOM 929 C SER A 59 -5.296 -11.821 -0.142 1.00 0.00 C ATOM 930 O SER A 59 -5.121 -10.782 0.492 1.00 0.00 O ATOM 931 CB SER A 59 -5.092 -12.150 -2.624 1.00 0.00 C ATOM 932 OG SER A 59 -4.916 -11.059 -3.523 1.00 0.00 O ATOM 0 H SER A 59 -6.218 -9.735 -1.168 1.00 0.00 H new ATOM 0 HA SER A 59 -6.833 -12.552 -1.455 1.00 0.00 H new ATOM 0 HB2 SER A 59 -4.125 -12.443 -2.216 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.482 -13.010 -3.169 1.00 0.00 H new ATOM 0 HG SER A 59 -4.301 -11.322 -4.240 1.00 0.00 H new ATOM 938 N THR A 60 -4.875 -13.016 0.245 1.00 0.00 N ATOM 939 CA THR A 60 -4.150 -13.186 1.493 1.00 0.00 C ATOM 940 C THR A 60 -2.711 -13.628 1.218 1.00 0.00 C ATOM 941 O THR A 60 -2.474 -14.763 0.808 1.00 0.00 O ATOM 942 CB THR A 60 -4.933 -14.172 2.363 1.00 0.00 C ATOM 943 OG1 THR A 60 -5.611 -15.002 1.424 1.00 0.00 O ATOM 944 CG2 THR A 60 -6.060 -13.495 3.145 1.00 0.00 C ATOM 0 H THR A 60 -5.022 -13.876 -0.284 1.00 0.00 H new ATOM 0 HA THR A 60 -4.069 -12.244 2.035 1.00 0.00 H new ATOM 0 HB THR A 60 -4.252 -14.662 3.059 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.142 -15.672 1.903 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.584 -14.239 3.746 1.00 0.00 H new ATOM 0 HG22 THR A 60 -5.641 -12.730 3.799 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.760 -13.033 2.448 1.00 0.00 H new ATOM 952 N VAL A 61 -1.788 -12.708 1.457 1.00 0.00 N ATOM 953 CA VAL A 61 -0.379 -12.988 1.240 1.00 0.00 C ATOM 954 C VAL A 61 0.462 -12.064 2.123 1.00 0.00 C ATOM 955 O VAL A 61 -0.075 -11.183 2.794 1.00 0.00 O ATOM 956 CB VAL A 61 -0.043 -12.862 -0.247 1.00 0.00 C ATOM 957 CG1 VAL A 61 0.852 -14.015 -0.707 1.00 0.00 C ATOM 958 CG2 VAL A 61 -1.316 -12.785 -1.093 1.00 0.00 C ATOM 0 H VAL A 61 -1.988 -11.768 1.799 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.145 -14.013 1.526 1.00 0.00 H new ATOM 0 HB VAL A 61 0.509 -11.933 -0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.076 -13.901 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.781 -14.004 -0.137 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.338 -14.962 -0.544 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.048 -12.696 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.907 -13.689 -0.944 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.901 -11.916 -0.792 1.00 0.00 H new ATOM 968 N THR A 62 1.766 -12.296 2.095 1.00 0.00 N ATOM 969 CA THR A 62 2.686 -11.495 2.885 1.00 0.00 C ATOM 970 C THR A 62 2.887 -10.122 2.239 1.00 0.00 C ATOM 971 O THR A 62 2.005 -9.624 1.542 1.00 0.00 O ATOM 972 CB THR A 62 3.985 -12.287 3.045 1.00 0.00 C ATOM 973 OG1 THR A 62 3.550 -13.597 3.401 1.00 0.00 O ATOM 974 CG2 THR A 62 4.807 -11.827 4.250 1.00 0.00 C ATOM 0 H THR A 62 2.208 -13.027 1.538 1.00 0.00 H new ATOM 0 HA THR A 62 2.285 -11.297 3.879 1.00 0.00 H new ATOM 0 HB THR A 62 4.584 -12.189 2.139 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.329 -14.179 3.523 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.718 -12.422 4.317 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.068 -10.775 4.132 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.222 -11.956 5.160 1.00 0.00 H new ATOM 982 N LEU A 63 4.055 -9.549 2.495 1.00 0.00 N ATOM 983 CA LEU A 63 4.383 -8.244 1.948 1.00 0.00 C ATOM 984 C LEU A 63 5.292 -8.421 0.729 1.00 0.00 C ATOM 985 O LEU A 63 4.855 -8.239 -0.406 1.00 0.00 O ATOM 986 CB LEU A 63 4.977 -7.343 3.032 1.00 0.00 C ATOM 987 CG LEU A 63 6.057 -7.975 3.913 1.00 0.00 C ATOM 988 CD1 LEU A 63 7.403 -7.273 3.719 1.00 0.00 C ATOM 989 CD2 LEU A 63 5.626 -7.994 5.380 1.00 0.00 C ATOM 0 H LEU A 63 4.785 -9.965 3.074 1.00 0.00 H new ATOM 0 HA LEU A 63 3.481 -7.737 1.604 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.399 -6.460 2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.167 -6.999 3.675 1.00 0.00 H new ATOM 0 HG LEU A 63 6.187 -9.012 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.153 -7.741 4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.710 -7.356 2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.306 -6.221 3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.411 -8.448 5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.450 -6.974 5.721 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.709 -8.574 5.482 1.00 0.00 H new ATOM 1001 N ASP A 64 6.539 -8.773 1.007 1.00 0.00 N ATOM 1002 CA ASP A 64 7.512 -8.976 -0.053 1.00 0.00 C ATOM 1003 C ASP A 64 6.966 -9.998 -1.052 1.00 0.00 C ATOM 1004 O ASP A 64 7.524 -10.172 -2.135 1.00 0.00 O ATOM 1005 CB ASP A 64 8.829 -9.518 0.506 1.00 0.00 C ATOM 1006 CG ASP A 64 10.090 -8.973 -0.167 1.00 0.00 C ATOM 1007 OD1 ASP A 64 10.033 -8.409 -1.269 1.00 0.00 O ATOM 1008 OD2 ASP A 64 11.182 -9.150 0.497 1.00 0.00 O ATOM 0 H ASP A 64 6.898 -8.923 1.950 1.00 0.00 H new ATOM 0 HA ASP A 64 7.692 -8.015 -0.534 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.876 -9.289 1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.826 -10.604 0.413 1.00 0.00 H new ATOM 1014 N THR A 65 5.882 -10.648 -0.653 1.00 0.00 N ATOM 1015 CA THR A 65 5.255 -11.648 -1.500 1.00 0.00 C ATOM 1016 C THR A 65 4.579 -10.982 -2.700 1.00 0.00 C ATOM 1017 O THR A 65 4.083 -11.664 -3.596 1.00 0.00 O ATOM 1018 CB THR A 65 4.292 -12.463 -0.635 1.00 0.00 C ATOM 1019 OG1 THR A 65 3.781 -11.518 0.301 1.00 0.00 O ATOM 1020 CG2 THR A 65 5.014 -13.494 0.233 1.00 0.00 C ATOM 0 H THR A 65 5.422 -10.501 0.246 1.00 0.00 H new ATOM 0 HA THR A 65 5.994 -12.330 -1.920 1.00 0.00 H new ATOM 0 HB THR A 65 3.570 -12.970 -1.275 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.381 -10.764 -0.181 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.284 -14.045 0.827 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.561 -14.188 -0.405 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.712 -12.985 0.897 1.00 0.00 H new ATOM 1028 N LEU A 66 4.581 -9.657 -2.680 1.00 0.00 N ATOM 1029 CA LEU A 66 3.974 -8.891 -3.756 1.00 0.00 C ATOM 1030 C LEU A 66 4.257 -7.403 -3.539 1.00 0.00 C ATOM 1031 O LEU A 66 4.523 -6.673 -4.493 1.00 0.00 O ATOM 1032 CB LEU A 66 2.485 -9.223 -3.875 1.00 0.00 C ATOM 1033 CG LEU A 66 1.696 -9.249 -2.565 1.00 0.00 C ATOM 1034 CD1 LEU A 66 0.878 -7.968 -2.392 1.00 0.00 C ATOM 1035 CD2 LEU A 66 0.824 -10.503 -2.475 1.00 0.00 C ATOM 0 H LEU A 66 4.993 -9.094 -1.936 1.00 0.00 H new ATOM 0 HA LEU A 66 4.416 -9.163 -4.715 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.023 -8.493 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.388 -10.197 -4.354 1.00 0.00 H new ATOM 0 HG LEU A 66 2.406 -9.291 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.327 -8.012 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.547 -7.108 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.176 -7.870 -3.220 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.274 -10.497 -1.534 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.120 -10.517 -3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.456 -11.390 -2.520 1.00 0.00 H new ATOM 1047 N THR A 67 4.190 -6.998 -2.279 1.00 0.00 N ATOM 1048 CA THR A 67 4.436 -5.610 -1.926 1.00 0.00 C ATOM 1049 C THR A 67 5.625 -5.061 -2.716 1.00 0.00 C ATOM 1050 O THR A 67 6.497 -5.818 -3.139 1.00 0.00 O ATOM 1051 CB THR A 67 4.628 -5.536 -0.410 1.00 0.00 C ATOM 1052 OG1 THR A 67 4.214 -4.215 -0.072 1.00 0.00 O ATOM 1053 CG2 THR A 67 6.102 -5.579 -0.003 1.00 0.00 C ATOM 0 H THR A 67 3.969 -7.606 -1.491 1.00 0.00 H new ATOM 0 HA THR A 67 3.589 -4.978 -2.193 1.00 0.00 H new ATOM 0 HB THR A 67 4.097 -6.362 0.063 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.451 -4.026 0.860 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.181 -5.523 1.083 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.549 -6.510 -0.352 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.627 -4.734 -0.449 1.00 0.00 H new ATOM 1061 N GLU A 68 5.621 -3.748 -2.893 1.00 0.00 N ATOM 1062 CA GLU A 68 6.689 -3.088 -3.625 1.00 0.00 C ATOM 1063 C GLU A 68 8.052 -3.557 -3.113 1.00 0.00 C ATOM 1064 O GLU A 68 9.048 -3.481 -3.831 1.00 0.00 O ATOM 1065 CB GLU A 68 6.560 -1.567 -3.530 1.00 0.00 C ATOM 1066 CG GLU A 68 5.830 -1.000 -4.750 1.00 0.00 C ATOM 1067 CD GLU A 68 6.805 -0.288 -5.690 1.00 0.00 C ATOM 1068 OE1 GLU A 68 8.011 -0.576 -5.668 1.00 0.00 O ATOM 1069 OE2 GLU A 68 6.269 0.592 -6.466 1.00 0.00 O ATOM 0 H GLU A 68 4.895 -3.123 -2.542 1.00 0.00 H new ATOM 0 HA GLU A 68 6.605 -3.361 -4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.019 -1.301 -2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.551 -1.119 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.327 -1.806 -5.284 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.058 -0.303 -4.425 1.00 0.00 H new ATOM 1077 N LYS A 69 8.053 -4.030 -1.875 1.00 0.00 N ATOM 1078 CA LYS A 69 9.278 -4.510 -1.259 1.00 0.00 C ATOM 1079 C LYS A 69 9.979 -5.478 -2.214 1.00 0.00 C ATOM 1080 O LYS A 69 11.204 -5.585 -2.206 1.00 0.00 O ATOM 1081 CB LYS A 69 8.985 -5.110 0.118 1.00 0.00 C ATOM 1082 CG LYS A 69 10.281 -5.383 0.884 1.00 0.00 C ATOM 1083 CD LYS A 69 10.078 -6.480 1.931 1.00 0.00 C ATOM 1084 CE LYS A 69 11.417 -6.937 2.513 1.00 0.00 C ATOM 1085 NZ LYS A 69 11.203 -7.920 3.598 1.00 0.00 N ATOM 0 H LYS A 69 7.225 -4.091 -1.282 1.00 0.00 H new ATOM 0 HA LYS A 69 9.965 -3.682 -1.082 1.00 0.00 H new ATOM 0 HB2 LYS A 69 8.357 -4.427 0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.424 -6.038 0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.064 -5.681 0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.619 -4.468 1.371 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.437 -6.110 2.731 1.00 0.00 H new ATOM 0 HD3 LYS A 69 9.565 -7.329 1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.029 -7.381 1.728 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.966 -6.077 2.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.122 -8.219 3.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.637 -7.485 4.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.699 -8.748 3.222 1.00 0.00 H new ATOM 1098 N HIS A 70 9.171 -6.159 -3.014 1.00 0.00 N ATOM 1099 CA HIS A 70 9.699 -7.115 -3.973 1.00 0.00 C ATOM 1100 C HIS A 70 10.392 -6.367 -5.114 1.00 0.00 C ATOM 1101 O HIS A 70 11.562 -6.615 -5.403 1.00 0.00 O ATOM 1102 CB HIS A 70 8.598 -8.056 -4.464 1.00 0.00 C ATOM 1103 CG HIS A 70 9.025 -8.967 -5.590 1.00 0.00 C ATOM 1104 ND1 HIS A 70 8.943 -8.602 -6.922 1.00 0.00 N ATOM 1105 CD2 HIS A 70 9.540 -10.230 -5.568 1.00 0.00 C ATOM 1106 CE1 HIS A 70 9.389 -9.607 -7.660 1.00 0.00 C ATOM 1107 NE2 HIS A 70 9.759 -10.616 -6.819 1.00 0.00 N ATOM 0 H HIS A 70 8.155 -6.068 -3.018 1.00 0.00 H new ATOM 0 HA HIS A 70 10.446 -7.745 -3.491 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.255 -8.665 -3.628 1.00 0.00 H new ATOM 0 HB3 HIS A 70 7.747 -7.461 -4.795 1.00 0.00 H new ATOM 0 HD2 HIS A 70 9.736 -10.817 -4.683 1.00 0.00 H new ATOM 0 HE1 HIS A 70 9.449 -9.625 -8.738 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.141 -11.518 -7.105 1.00 0.00 H new ATOM 1115 N ALA A 71 9.641 -5.467 -5.731 1.00 0.00 N ATOM 1116 CA ALA A 71 10.168 -4.682 -6.834 1.00 0.00 C ATOM 1117 C ALA A 71 11.420 -3.935 -6.370 1.00 0.00 C ATOM 1118 O ALA A 71 12.386 -3.807 -7.121 1.00 0.00 O ATOM 1119 CB ALA A 71 9.083 -3.735 -7.352 1.00 0.00 C ATOM 0 H ALA A 71 8.671 -5.264 -5.488 1.00 0.00 H new ATOM 0 HA ALA A 71 10.458 -5.330 -7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 71 9.479 -3.146 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.227 -4.316 -7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 71 8.769 -3.068 -6.549 1.00 0.00 H new ATOM 1125 N GLU A 72 11.364 -3.461 -5.134 1.00 0.00 N ATOM 1126 CA GLU A 72 12.481 -2.731 -4.560 1.00 0.00 C ATOM 1127 C GLU A 72 13.637 -3.685 -4.252 1.00 0.00 C ATOM 1128 O GLU A 72 14.792 -3.381 -4.544 1.00 0.00 O ATOM 1129 CB GLU A 72 12.051 -1.967 -3.306 1.00 0.00 C ATOM 1130 CG GLU A 72 12.391 -0.480 -3.426 1.00 0.00 C ATOM 1131 CD GLU A 72 11.436 0.371 -2.587 1.00 0.00 C ATOM 1132 OE1 GLU A 72 10.612 1.110 -3.145 1.00 0.00 O ATOM 1133 OE2 GLU A 72 11.571 0.243 -1.310 1.00 0.00 O ATOM 0 H GLU A 72 10.561 -3.569 -4.514 1.00 0.00 H new ATOM 0 HA GLU A 72 12.825 -1.999 -5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 72 10.979 -2.087 -3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.547 -2.388 -2.431 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.417 -0.311 -3.099 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.334 -0.174 -4.471 1.00 0.00 H new ATOM 1141 N GLN A 73 13.285 -4.819 -3.665 1.00 0.00 N ATOM 1142 CA GLN A 73 14.279 -5.819 -3.314 1.00 0.00 C ATOM 1143 C GLN A 73 15.190 -6.105 -4.510 1.00 0.00 C ATOM 1144 O GLN A 73 16.385 -6.339 -4.342 1.00 0.00 O ATOM 1145 CB GLN A 73 13.612 -7.103 -2.814 1.00 0.00 C ATOM 1146 CG GLN A 73 13.753 -7.237 -1.296 1.00 0.00 C ATOM 1147 CD GLN A 73 14.430 -8.558 -0.923 1.00 0.00 C ATOM 1148 OE1 GLN A 73 13.796 -9.587 -0.761 1.00 0.00 O ATOM 1149 NE2 GLN A 73 15.752 -8.471 -0.798 1.00 0.00 N ATOM 0 H GLN A 73 12.326 -5.068 -3.424 1.00 0.00 H new ATOM 0 HA GLN A 73 14.891 -5.426 -2.502 1.00 0.00 H new ATOM 0 HB2 GLN A 73 12.557 -7.099 -3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 73 14.064 -7.966 -3.303 1.00 0.00 H new ATOM 0 HG2 GLN A 73 14.336 -6.403 -0.906 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.769 -7.184 -0.830 1.00 0.00 H new ATOM 0 HE21 GLN A 73 16.221 -7.578 -0.948 1.00 0.00 H new ATOM 0 HE22 GLN A 73 16.297 -9.298 -0.553 1.00 0.00 H new ATOM 1158 N GLU A 74 14.589 -6.077 -5.690 1.00 0.00 N ATOM 1159 CA GLU A 74 15.331 -6.330 -6.914 1.00 0.00 C ATOM 1160 C GLU A 74 15.718 -5.010 -7.583 1.00 0.00 C ATOM 1161 O GLU A 74 15.878 -4.951 -8.801 1.00 0.00 O ATOM 1162 CB GLU A 74 14.528 -7.215 -7.869 1.00 0.00 C ATOM 1163 CG GLU A 74 15.055 -8.652 -7.860 1.00 0.00 C ATOM 1164 CD GLU A 74 15.506 -9.079 -9.258 1.00 0.00 C ATOM 1165 OE1 GLU A 74 16.504 -8.556 -9.774 1.00 0.00 O ATOM 1166 OE2 GLU A 74 14.779 -9.991 -9.810 1.00 0.00 O ATOM 0 H GLU A 74 13.597 -5.883 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 74 16.245 -6.866 -6.657 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.477 -7.208 -7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.584 -6.810 -8.879 1.00 0.00 H new ATOM 0 HG2 GLU A 74 15.890 -8.733 -7.164 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.277 -9.326 -7.503 1.00 0.00 H new ATOM 1174 N ASN A 75 15.857 -3.983 -6.757 1.00 0.00 N ATOM 1175 CA ASN A 75 16.221 -2.667 -7.254 1.00 0.00 C ATOM 1176 C ASN A 75 17.075 -1.950 -6.206 1.00 0.00 C ATOM 1177 O ASN A 75 18.228 -1.611 -6.466 1.00 0.00 O ATOM 1178 CB ASN A 75 14.979 -1.814 -7.517 1.00 0.00 C ATOM 1179 CG ASN A 75 15.365 -0.430 -8.043 1.00 0.00 C ATOM 1180 OD1 ASN A 75 16.526 -0.121 -8.258 1.00 0.00 O ATOM 1181 ND2 ASN A 75 14.331 0.383 -8.237 1.00 0.00 N ATOM 0 H ASN A 75 15.724 -4.036 -5.747 1.00 0.00 H new ATOM 0 HA ASN A 75 16.771 -2.798 -8.186 1.00 0.00 H new ATOM 0 HB2 ASN A 75 14.336 -2.315 -8.240 1.00 0.00 H new ATOM 0 HB3 ASN A 75 14.404 -1.710 -6.597 1.00 0.00 H new ATOM 0 HD21 ASN A 75 14.485 1.329 -8.586 1.00 0.00 H new ATOM 0 HD22 ASN A 75 13.384 0.061 -8.037 1.00 0.00 H new ATOM 1188 N MET A 76 16.475 -1.739 -5.044 1.00 0.00 N ATOM 1189 CA MET A 76 17.165 -1.068 -3.956 1.00 0.00 C ATOM 1190 C MET A 76 17.889 -2.077 -3.061 1.00 0.00 C ATOM 1191 O MET A 76 17.841 -3.280 -3.311 1.00 0.00 O ATOM 1192 CB MET A 76 16.156 -0.278 -3.121 1.00 0.00 C ATOM 1193 CG MET A 76 15.685 0.972 -3.868 1.00 0.00 C ATOM 1194 SD MET A 76 14.692 0.503 -5.275 1.00 0.00 S ATOM 1195 CE MET A 76 13.788 2.020 -5.536 1.00 0.00 C ATOM 0 H MET A 76 15.518 -2.021 -4.832 1.00 0.00 H new ATOM 0 HA MET A 76 17.905 -0.392 -4.383 1.00 0.00 H new ATOM 0 HB2 MET A 76 15.299 -0.910 -2.886 1.00 0.00 H new ATOM 0 HB3 MET A 76 16.610 0.010 -2.173 1.00 0.00 H new ATOM 0 HG2 MET A 76 15.106 1.609 -3.199 1.00 0.00 H new ATOM 0 HG3 MET A 76 16.545 1.555 -4.197 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.077 1.884 -6.351 1.00 0.00 H new ATOM 0 HE2 MET A 76 13.250 2.284 -4.625 1.00 0.00 H new ATOM 0 HE3 MET A 76 14.484 2.819 -5.791 1.00 0.00 H new ATOM 1205 N THR A 77 18.545 -1.548 -2.038 1.00 0.00 N ATOM 1206 CA THR A 77 19.278 -2.387 -1.106 1.00 0.00 C ATOM 1207 C THR A 77 18.387 -2.776 0.076 1.00 0.00 C ATOM 1208 O THR A 77 17.187 -2.508 0.068 1.00 0.00 O ATOM 1209 CB THR A 77 20.545 -1.636 -0.690 1.00 0.00 C ATOM 1210 OG1 THR A 77 21.177 -2.510 0.241 1.00 0.00 O ATOM 1211 CG2 THR A 77 20.239 -0.379 0.127 1.00 0.00 C ATOM 0 H THR A 77 18.584 -0.549 -1.835 1.00 0.00 H new ATOM 0 HA THR A 77 19.577 -3.327 -1.571 1.00 0.00 H new ATOM 0 HB THR A 77 21.112 -1.362 -1.579 1.00 0.00 H new ATOM 0 HG1 THR A 77 22.009 -2.102 0.561 1.00 0.00 H new ATOM 0 HG21 THR A 77 21.172 0.116 0.396 1.00 0.00 H new ATOM 0 HG22 THR A 77 19.626 0.300 -0.466 1.00 0.00 H new ATOM 0 HG23 THR A 77 19.701 -0.656 1.033 1.00 0.00 H new ATOM 1219 N LEU A 78 19.009 -3.403 1.063 1.00 0.00 N ATOM 1220 CA LEU A 78 18.288 -3.832 2.249 1.00 0.00 C ATOM 1221 C LEU A 78 17.898 -2.605 3.076 1.00 0.00 C ATOM 1222 O LEU A 78 16.813 -2.560 3.653 1.00 0.00 O ATOM 1223 CB LEU A 78 19.105 -4.865 3.029 1.00 0.00 C ATOM 1224 CG LEU A 78 18.812 -6.332 2.709 1.00 0.00 C ATOM 1225 CD1 LEU A 78 19.850 -6.900 1.741 1.00 0.00 C ATOM 1226 CD2 LEU A 78 18.708 -7.162 3.990 1.00 0.00 C ATOM 0 H LEU A 78 20.005 -3.624 1.066 1.00 0.00 H new ATOM 0 HA LEU A 78 17.363 -4.336 1.970 1.00 0.00 H new ATOM 0 HB2 LEU A 78 20.163 -4.678 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 78 18.935 -4.705 4.094 1.00 0.00 H new ATOM 0 HG LEU A 78 17.844 -6.386 2.211 1.00 0.00 H new ATOM 0 HD11 LEU A 78 19.618 -7.944 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 78 19.832 -6.330 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 78 20.841 -6.832 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 78 18.499 -8.201 3.734 1.00 0.00 H new ATOM 0 HD22 LEU A 78 19.649 -7.105 4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 78 17.902 -6.772 4.612 1.00 0.00 H new ATOM 1238 N THR A 79 18.805 -1.639 3.106 1.00 0.00 N ATOM 1239 CA THR A 79 18.570 -0.415 3.852 1.00 0.00 C ATOM 1240 C THR A 79 17.283 0.261 3.375 1.00 0.00 C ATOM 1241 O THR A 79 16.373 0.502 4.167 1.00 0.00 O ATOM 1242 CB THR A 79 19.810 0.470 3.711 1.00 0.00 C ATOM 1243 OG1 THR A 79 20.794 -0.182 4.509 1.00 0.00 O ATOM 1244 CG2 THR A 79 19.633 1.836 4.379 1.00 0.00 C ATOM 0 H THR A 79 19.704 -1.680 2.625 1.00 0.00 H new ATOM 0 HA THR A 79 18.419 -0.620 4.912 1.00 0.00 H new ATOM 0 HB THR A 79 20.039 0.610 2.654 1.00 0.00 H new ATOM 0 HG1 THR A 79 21.632 0.324 4.473 1.00 0.00 H new ATOM 0 HG21 THR A 79 20.541 2.425 4.250 1.00 0.00 H new ATOM 0 HG22 THR A 79 18.793 2.359 3.921 1.00 0.00 H new ATOM 0 HG23 THR A 79 19.438 1.698 5.443 1.00 0.00 H new ATOM 1252 N GLU A 80 17.248 0.549 2.082 1.00 0.00 N ATOM 1253 CA GLU A 80 16.088 1.193 1.490 1.00 0.00 C ATOM 1254 C GLU A 80 14.825 0.378 1.775 1.00 0.00 C ATOM 1255 O GLU A 80 13.789 0.936 2.133 1.00 0.00 O ATOM 1256 CB GLU A 80 16.282 1.396 -0.014 1.00 0.00 C ATOM 1257 CG GLU A 80 16.494 2.875 -0.345 1.00 0.00 C ATOM 1258 CD GLU A 80 16.548 3.096 -1.858 1.00 0.00 C ATOM 1259 OE1 GLU A 80 15.595 3.633 -2.441 1.00 0.00 O ATOM 1260 OE2 GLU A 80 17.630 2.688 -2.430 1.00 0.00 O ATOM 0 H GLU A 80 18.004 0.348 1.428 1.00 0.00 H new ATOM 0 HA GLU A 80 15.972 2.177 1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.140 0.817 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 80 15.411 1.021 -0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.685 3.467 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 80 17.421 3.224 0.110 1.00 0.00 H new ATOM 1268 N LEU A 81 14.953 -0.930 1.606 1.00 0.00 N ATOM 1269 CA LEU A 81 13.835 -1.828 1.840 1.00 0.00 C ATOM 1270 C LEU A 81 13.332 -1.645 3.274 1.00 0.00 C ATOM 1271 O LEU A 81 12.126 -1.636 3.516 1.00 0.00 O ATOM 1272 CB LEU A 81 14.225 -3.268 1.504 1.00 0.00 C ATOM 1273 CG LEU A 81 14.248 -3.627 0.017 1.00 0.00 C ATOM 1274 CD1 LEU A 81 13.035 -4.479 -0.360 1.00 0.00 C ATOM 1275 CD2 LEU A 81 14.358 -2.371 -0.848 1.00 0.00 C ATOM 0 H LEU A 81 15.814 -1.389 1.310 1.00 0.00 H new ATOM 0 HA LEU A 81 13.005 -1.585 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.214 -3.462 1.920 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.530 -3.939 2.009 1.00 0.00 H new ATOM 0 HG LEU A 81 15.136 -4.229 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 81 13.076 -4.720 -1.422 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.043 -5.401 0.222 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.121 -3.924 -0.149 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.372 -2.654 -1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.503 -1.723 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 81 15.278 -1.840 -0.603 1.00 0.00 H new ATOM 1287 N LYS A 82 14.281 -1.504 4.187 1.00 0.00 N ATOM 1288 CA LYS A 82 13.950 -1.322 5.590 1.00 0.00 C ATOM 1289 C LYS A 82 13.303 0.051 5.783 1.00 0.00 C ATOM 1290 O LYS A 82 12.484 0.234 6.681 1.00 0.00 O ATOM 1291 CB LYS A 82 15.183 -1.550 6.466 1.00 0.00 C ATOM 1292 CG LYS A 82 14.841 -2.414 7.681 1.00 0.00 C ATOM 1293 CD LYS A 82 15.390 -3.833 7.517 1.00 0.00 C ATOM 1294 CE LYS A 82 15.191 -4.649 8.795 1.00 0.00 C ATOM 1295 NZ LYS A 82 14.728 -6.016 8.470 1.00 0.00 N ATOM 0 H LYS A 82 15.280 -1.512 3.982 1.00 0.00 H new ATOM 0 HA LYS A 82 13.220 -2.066 5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 82 15.965 -2.033 5.880 1.00 0.00 H new ATOM 0 HB3 LYS A 82 15.580 -0.591 6.798 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.256 -1.962 8.582 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.760 -2.452 7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.889 -4.327 6.684 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.451 -3.790 7.270 1.00 0.00 H new ATOM 0 HE2 LYS A 82 16.127 -4.698 9.351 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.463 -4.156 9.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.598 -6.557 9.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.824 -5.964 7.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.436 -6.490 7.874 1.00 0.00 H new ATOM 1308 N LYS A 83 13.696 0.980 4.924 1.00 0.00 N ATOM 1309 CA LYS A 83 13.164 2.331 4.989 1.00 0.00 C ATOM 1310 C LYS A 83 11.685 2.312 4.596 1.00 0.00 C ATOM 1311 O LYS A 83 10.837 2.806 5.337 1.00 0.00 O ATOM 1312 CB LYS A 83 14.013 3.282 4.142 1.00 0.00 C ATOM 1313 CG LYS A 83 14.598 4.406 4.999 1.00 0.00 C ATOM 1314 CD LYS A 83 15.598 3.855 6.017 1.00 0.00 C ATOM 1315 CE LYS A 83 16.828 4.760 6.122 1.00 0.00 C ATOM 1316 NZ LYS A 83 17.582 4.760 4.849 1.00 0.00 N ATOM 0 H LYS A 83 14.376 0.824 4.180 1.00 0.00 H new ATOM 0 HA LYS A 83 13.218 2.713 6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 83 14.820 2.727 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.403 3.707 3.345 1.00 0.00 H new ATOM 0 HG2 LYS A 83 15.091 5.137 4.359 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.794 4.928 5.519 1.00 0.00 H new ATOM 0 HD2 LYS A 83 15.120 3.770 6.993 1.00 0.00 H new ATOM 0 HD3 LYS A 83 15.905 2.851 5.724 1.00 0.00 H new ATOM 0 HE2 LYS A 83 16.519 5.776 6.369 1.00 0.00 H new ATOM 0 HE3 LYS A 83 17.471 4.417 6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 18.602 4.762 5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 17.339 3.910 4.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 17.335 5.608 4.299 1.00 0.00 H new ATOM 1329 N VAL A 84 11.422 1.737 3.432 1.00 0.00 N ATOM 1330 CA VAL A 84 10.061 1.647 2.933 1.00 0.00 C ATOM 1331 C VAL A 84 9.240 0.749 3.860 1.00 0.00 C ATOM 1332 O VAL A 84 8.085 1.048 4.158 1.00 0.00 O ATOM 1333 CB VAL A 84 10.066 1.163 1.482 1.00 0.00 C ATOM 1334 CG1 VAL A 84 11.061 1.965 0.640 1.00 0.00 C ATOM 1335 CG2 VAL A 84 10.366 -0.335 1.405 1.00 0.00 C ATOM 0 H VAL A 84 12.129 1.329 2.820 1.00 0.00 H new ATOM 0 HA VAL A 84 9.590 2.630 2.932 1.00 0.00 H new ATOM 0 HB VAL A 84 9.070 1.327 1.071 1.00 0.00 H new ATOM 0 HG11 VAL A 84 11.045 1.601 -0.387 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.784 3.019 0.656 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.064 1.847 1.051 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.364 -0.653 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 84 11.344 -0.533 1.843 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.604 -0.887 1.955 1.00 0.00 H new ATOM 1345 N ILE A 85 9.869 -0.335 4.290 1.00 0.00 N ATOM 1346 CA ILE A 85 9.212 -1.280 5.177 1.00 0.00 C ATOM 1347 C ILE A 85 8.810 -0.565 6.469 1.00 0.00 C ATOM 1348 O ILE A 85 7.749 -0.835 7.028 1.00 0.00 O ATOM 1349 CB ILE A 85 10.097 -2.507 5.403 1.00 0.00 C ATOM 1350 CG1 ILE A 85 10.020 -3.465 4.213 1.00 0.00 C ATOM 1351 CG2 ILE A 85 9.745 -3.201 6.721 1.00 0.00 C ATOM 1352 CD1 ILE A 85 8.893 -4.483 4.400 1.00 0.00 C ATOM 0 H ILE A 85 10.827 -0.580 4.040 1.00 0.00 H new ATOM 0 HA ILE A 85 8.296 -1.656 4.722 1.00 0.00 H new ATOM 0 HB ILE A 85 11.132 -2.173 5.481 1.00 0.00 H new ATOM 0 HG12 ILE A 85 9.855 -2.899 3.296 1.00 0.00 H new ATOM 0 HG13 ILE A 85 10.970 -3.986 4.099 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.388 -4.070 6.858 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.892 -2.507 7.548 1.00 0.00 H new ATOM 0 HG23 ILE A 85 8.703 -3.521 6.697 1.00 0.00 H new ATOM 0 HD11 ILE A 85 8.860 -5.152 3.540 1.00 0.00 H new ATOM 0 HD12 ILE A 85 9.074 -5.064 5.305 1.00 0.00 H new ATOM 0 HD13 ILE A 85 7.941 -3.960 4.489 1.00 0.00 H new ATOM 1364 N ALA A 86 9.681 0.334 6.905 1.00 0.00 N ATOM 1365 CA ALA A 86 9.430 1.090 8.121 1.00 0.00 C ATOM 1366 C ALA A 86 8.414 2.195 7.828 1.00 0.00 C ATOM 1367 O ALA A 86 7.724 2.664 8.732 1.00 0.00 O ATOM 1368 CB ALA A 86 10.751 1.640 8.662 1.00 0.00 C ATOM 0 H ALA A 86 10.561 0.556 6.438 1.00 0.00 H new ATOM 0 HA ALA A 86 9.005 0.448 8.892 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.563 2.207 9.574 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.427 0.813 8.882 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.206 2.292 7.917 1.00 0.00 H new ATOM 1374 N ASP A 87 8.354 2.580 6.562 1.00 0.00 N ATOM 1375 CA ASP A 87 7.434 3.622 6.139 1.00 0.00 C ATOM 1376 C ASP A 87 6.048 3.014 5.919 1.00 0.00 C ATOM 1377 O ASP A 87 5.036 3.700 6.057 1.00 0.00 O ATOM 1378 CB ASP A 87 7.887 4.255 4.822 1.00 0.00 C ATOM 1379 CG ASP A 87 8.037 5.778 4.854 1.00 0.00 C ATOM 1380 OD1 ASP A 87 7.046 6.515 4.965 1.00 0.00 O ATOM 1381 OD2 ASP A 87 9.249 6.208 4.758 1.00 0.00 O ATOM 0 H ASP A 87 8.928 2.189 5.815 1.00 0.00 H new ATOM 0 HA ASP A 87 7.409 4.386 6.916 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.843 3.817 4.536 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.170 3.992 4.044 1.00 0.00 H new ATOM 1387 N ILE A 88 6.046 1.733 5.580 1.00 0.00 N ATOM 1388 CA ILE A 88 4.800 1.025 5.340 1.00 0.00 C ATOM 1389 C ILE A 88 4.261 0.484 6.666 1.00 0.00 C ATOM 1390 O ILE A 88 3.141 0.803 7.061 1.00 0.00 O ATOM 1391 CB ILE A 88 4.994 -0.052 4.271 1.00 0.00 C ATOM 1392 CG1 ILE A 88 3.712 -0.259 3.462 1.00 0.00 C ATOM 1393 CG2 ILE A 88 5.497 -1.357 4.892 1.00 0.00 C ATOM 1394 CD1 ILE A 88 4.030 -0.539 1.991 1.00 0.00 C ATOM 0 H ILE A 88 6.887 1.167 5.466 1.00 0.00 H new ATOM 0 HA ILE A 88 4.046 1.705 4.943 1.00 0.00 H new ATOM 0 HB ILE A 88 5.761 0.291 3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.145 -1.091 3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.082 0.627 3.539 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.626 -2.106 4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.452 -1.180 5.387 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.771 -1.716 5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.101 -0.682 1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.576 0.305 1.570 1.00 0.00 H new ATOM 0 HD13 ILE A 88 4.640 -1.439 1.916 1.00 0.00 H new ATOM 1406 N TYR A 89 5.085 -0.324 7.317 1.00 0.00 N ATOM 1407 CA TYR A 89 4.705 -0.911 8.591 1.00 0.00 C ATOM 1408 C TYR A 89 5.680 -2.019 8.996 1.00 0.00 C ATOM 1409 O TYR A 89 6.141 -2.784 8.151 1.00 0.00 O ATOM 1410 CB TYR A 89 3.319 -1.521 8.378 1.00 0.00 C ATOM 1411 CG TYR A 89 3.244 -2.501 7.205 1.00 0.00 C ATOM 1412 CD1 TYR A 89 3.842 -3.741 7.302 1.00 0.00 C ATOM 1413 CD2 TYR A 89 2.577 -2.145 6.050 1.00 0.00 C ATOM 1414 CE1 TYR A 89 3.771 -4.663 6.199 1.00 0.00 C ATOM 1415 CE2 TYR A 89 2.507 -3.067 4.946 1.00 0.00 C ATOM 1416 CZ TYR A 89 3.107 -4.280 5.075 1.00 0.00 C ATOM 1417 OH TYR A 89 3.041 -5.151 4.032 1.00 0.00 O ATOM 0 H TYR A 89 6.014 -0.586 6.986 1.00 0.00 H new ATOM 0 HA TYR A 89 4.713 -0.157 9.378 1.00 0.00 H new ATOM 0 HB2 TYR A 89 3.016 -2.037 9.289 1.00 0.00 H new ATOM 0 HB3 TYR A 89 2.601 -0.718 8.213 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.363 -4.020 8.206 1.00 0.00 H new ATOM 0 HD2 TYR A 89 2.108 -1.175 5.974 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.234 -5.637 6.262 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.990 -2.801 4.036 1.00 0.00 H new ATOM 0 HH TYR A 89 3.310 -4.695 3.207 1.00 0.00 H new ATOM 1427 N PRO A 90 5.972 -2.071 10.323 1.00 0.00 N ATOM 1428 CA PRO A 90 6.883 -3.072 10.851 1.00 0.00 C ATOM 1429 C PRO A 90 6.213 -4.446 10.909 1.00 0.00 C ATOM 1430 O PRO A 90 4.987 -4.543 10.939 1.00 0.00 O ATOM 1431 CB PRO A 90 7.290 -2.551 12.219 1.00 0.00 C ATOM 1432 CG PRO A 90 6.241 -1.520 12.602 1.00 0.00 C ATOM 1433 CD PRO A 90 5.444 -1.181 11.353 1.00 0.00 C ATOM 0 HA PRO A 90 7.759 -3.219 10.219 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.328 -3.359 12.949 1.00 0.00 H new ATOM 0 HB3 PRO A 90 8.284 -2.104 12.187 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.585 -1.913 13.379 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.715 -0.626 13.007 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.377 -1.343 11.508 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.570 -0.135 11.075 1.00 0.00 H new ATOM 1441 N GLY A 91 7.047 -5.476 10.924 1.00 0.00 N ATOM 1442 CA GLY A 91 6.551 -6.840 10.978 1.00 0.00 C ATOM 1443 C GLY A 91 6.519 -7.468 9.583 1.00 0.00 C ATOM 1444 O GLY A 91 5.872 -6.945 8.678 1.00 0.00 O ATOM 0 H GLY A 91 8.063 -5.393 10.900 1.00 0.00 H new ATOM 0 HA2 GLY A 91 7.186 -7.436 11.634 1.00 0.00 H new ATOM 0 HA3 GLY A 91 5.549 -6.850 11.408 1.00 0.00 H new ATOM 1448 N GLN A 92 7.227 -8.581 9.454 1.00 0.00 N ATOM 1449 CA GLN A 92 7.288 -9.286 8.185 1.00 0.00 C ATOM 1450 C GLN A 92 6.648 -10.670 8.315 1.00 0.00 C ATOM 1451 O GLN A 92 7.345 -11.662 8.521 1.00 0.00 O ATOM 1452 CB GLN A 92 8.730 -9.393 7.686 1.00 0.00 C ATOM 1453 CG GLN A 92 8.784 -9.371 6.157 1.00 0.00 C ATOM 1454 CD GLN A 92 9.198 -10.736 5.603 1.00 0.00 C ATOM 1455 OE1 GLN A 92 9.853 -10.675 4.447 1.00 0.00 O flip ATOM 1456 NE2 GLN A 92 8.939 -11.775 6.187 1.00 0.00 N flip ATOM 0 H GLN A 92 7.763 -9.012 10.207 1.00 0.00 H new ATOM 0 HA GLN A 92 6.725 -8.715 7.447 1.00 0.00 H new ATOM 0 HB2 GLN A 92 9.319 -8.568 8.086 1.00 0.00 H new ATOM 0 HB3 GLN A 92 9.179 -10.315 8.056 1.00 0.00 H new ATOM 0 HG2 GLN A 92 7.808 -9.094 5.759 1.00 0.00 H new ATOM 0 HG3 GLN A 92 9.491 -8.610 5.825 1.00 0.00 H new ATOM 0 HE21 GLN A 92 8.432 -11.750 7.072 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.229 -12.669 5.790 1.00 0.00 H new ATOM 1465 N THR A 93 5.330 -10.692 8.188 1.00 0.00 N ATOM 1466 CA THR A 93 4.589 -11.937 8.289 1.00 0.00 C ATOM 1467 C THR A 93 3.319 -11.873 7.437 1.00 0.00 C ATOM 1468 O THR A 93 2.777 -10.794 7.206 1.00 0.00 O ATOM 1469 CB THR A 93 4.314 -12.206 9.770 1.00 0.00 C ATOM 1470 OG1 THR A 93 3.303 -11.262 10.112 1.00 0.00 O ATOM 1471 CG2 THR A 93 5.496 -11.825 10.663 1.00 0.00 C ATOM 0 H THR A 93 4.756 -9.867 8.016 1.00 0.00 H new ATOM 0 HA THR A 93 5.166 -12.773 7.894 1.00 0.00 H new ATOM 0 HB THR A 93 4.078 -13.261 9.910 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.063 -11.367 11.056 1.00 0.00 H new ATOM 0 HG21 THR A 93 5.249 -12.036 11.703 1.00 0.00 H new ATOM 0 HG22 THR A 93 6.372 -12.405 10.374 1.00 0.00 H new ATOM 0 HG23 THR A 93 5.710 -10.762 10.549 1.00 0.00 H new ATOM 1479 N GLN A 94 2.882 -13.043 6.994 1.00 0.00 N ATOM 1480 CA GLN A 94 1.687 -13.133 6.174 1.00 0.00 C ATOM 1481 C GLN A 94 0.640 -12.124 6.648 1.00 0.00 C ATOM 1482 O GLN A 94 0.566 -11.813 7.836 1.00 0.00 O ATOM 1483 CB GLN A 94 1.121 -14.555 6.183 1.00 0.00 C ATOM 1484 CG GLN A 94 1.919 -15.469 5.250 1.00 0.00 C ATOM 1485 CD GLN A 94 2.039 -16.878 5.834 1.00 0.00 C ATOM 1486 OE1 GLN A 94 2.693 -17.109 6.837 1.00 0.00 O ATOM 1487 NE2 GLN A 94 1.373 -17.805 5.150 1.00 0.00 N ATOM 0 H GLN A 94 3.335 -13.936 7.188 1.00 0.00 H new ATOM 0 HA GLN A 94 1.957 -12.891 5.146 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.146 -14.954 7.197 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.076 -14.536 5.873 1.00 0.00 H new ATOM 0 HG2 GLN A 94 1.432 -15.515 4.276 1.00 0.00 H new ATOM 0 HG3 GLN A 94 2.913 -15.052 5.089 1.00 0.00 H new ATOM 0 HE21 GLN A 94 0.845 -17.543 4.318 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.391 -18.777 5.458 1.00 0.00 H new ATOM 1496 N PHE A 95 -0.144 -11.640 5.695 1.00 0.00 N ATOM 1497 CA PHE A 95 -1.183 -10.672 6.001 1.00 0.00 C ATOM 1498 C PHE A 95 -2.213 -10.599 4.872 1.00 0.00 C ATOM 1499 O PHE A 95 -2.106 -11.320 3.881 1.00 0.00 O ATOM 1500 CB PHE A 95 -0.500 -9.311 6.141 1.00 0.00 C ATOM 1501 CG PHE A 95 -0.200 -8.910 7.587 1.00 0.00 C ATOM 1502 CD1 PHE A 95 -1.107 -9.172 8.566 1.00 0.00 C ATOM 1503 CD2 PHE A 95 0.973 -8.293 7.893 1.00 0.00 C ATOM 1504 CE1 PHE A 95 -0.829 -8.800 9.909 1.00 0.00 C ATOM 1505 CE2 PHE A 95 1.250 -7.922 9.235 1.00 0.00 C ATOM 1506 CZ PHE A 95 0.344 -8.183 10.214 1.00 0.00 C ATOM 0 H PHE A 95 -0.080 -11.900 4.711 1.00 0.00 H new ATOM 0 HA PHE A 95 -1.704 -10.961 6.914 1.00 0.00 H new ATOM 0 HB2 PHE A 95 0.433 -9.325 5.578 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.135 -8.549 5.688 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.038 -9.662 8.323 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.693 -8.085 7.115 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.549 -9.007 10.687 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.181 -7.432 9.478 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.556 -7.900 11.235 1.00 0.00 H new ATOM 1516 N TYR A 96 -3.187 -9.720 5.059 1.00 0.00 N ATOM 1517 CA TYR A 96 -4.236 -9.543 4.068 1.00 0.00 C ATOM 1518 C TYR A 96 -3.826 -8.511 3.015 1.00 0.00 C ATOM 1519 O TYR A 96 -3.559 -7.357 3.344 1.00 0.00 O ATOM 1520 CB TYR A 96 -5.453 -9.019 4.832 1.00 0.00 C ATOM 1521 CG TYR A 96 -6.651 -9.971 4.822 1.00 0.00 C ATOM 1522 CD1 TYR A 96 -6.558 -11.204 5.436 1.00 0.00 C ATOM 1523 CD2 TYR A 96 -7.824 -9.597 4.199 1.00 0.00 C ATOM 1524 CE1 TYR A 96 -7.685 -12.100 5.426 1.00 0.00 C ATOM 1525 CE2 TYR A 96 -8.952 -10.493 4.189 1.00 0.00 C ATOM 1526 CZ TYR A 96 -8.827 -11.700 4.803 1.00 0.00 C ATOM 1527 OH TYR A 96 -9.891 -12.546 4.794 1.00 0.00 O ATOM 0 H TYR A 96 -3.272 -9.123 5.882 1.00 0.00 H new ATOM 0 HA TYR A 96 -4.439 -10.481 3.551 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.165 -8.825 5.865 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.756 -8.065 4.401 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -5.640 -11.496 5.924 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.896 -8.632 3.719 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -7.625 -13.068 5.902 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.876 -10.213 3.705 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.637 -12.128 4.315 1.00 0.00 H new ATOM 1537 N VAL A 97 -3.791 -8.965 1.771 1.00 0.00 N ATOM 1538 CA VAL A 97 -3.419 -8.096 0.668 1.00 0.00 C ATOM 1539 C VAL A 97 -4.683 -7.628 -0.056 1.00 0.00 C ATOM 1540 O VAL A 97 -5.562 -8.433 -0.360 1.00 0.00 O ATOM 1541 CB VAL A 97 -2.432 -8.814 -0.255 1.00 0.00 C ATOM 1542 CG1 VAL A 97 -2.127 -7.971 -1.494 1.00 0.00 C ATOM 1543 CG2 VAL A 97 -1.147 -9.176 0.492 1.00 0.00 C ATOM 0 H VAL A 97 -4.014 -9.923 1.503 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.909 -7.207 1.038 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.899 -9.741 -0.588 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.423 -8.505 -2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.049 -7.787 -2.045 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.691 -7.020 -1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.463 -9.685 -0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.676 -8.267 0.868 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.385 -9.834 1.328 1.00 0.00 H new ATOM 1553 N ILE A 98 -4.734 -6.329 -0.313 1.00 0.00 N ATOM 1554 CA ILE A 98 -5.876 -5.746 -0.995 1.00 0.00 C ATOM 1555 C ILE A 98 -5.388 -4.962 -2.216 1.00 0.00 C ATOM 1556 O ILE A 98 -4.547 -4.073 -2.093 1.00 0.00 O ATOM 1557 CB ILE A 98 -6.712 -4.911 -0.023 1.00 0.00 C ATOM 1558 CG1 ILE A 98 -6.746 -5.556 1.364 1.00 0.00 C ATOM 1559 CG2 ILE A 98 -8.117 -4.669 -0.578 1.00 0.00 C ATOM 1560 CD1 ILE A 98 -7.161 -7.027 1.275 1.00 0.00 C ATOM 0 H ILE A 98 -4.003 -5.664 -0.061 1.00 0.00 H new ATOM 0 HA ILE A 98 -6.541 -6.528 -1.361 1.00 0.00 H new ATOM 0 HB ILE A 98 -6.237 -3.936 0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -5.763 -5.479 1.829 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -7.444 -5.016 2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -8.691 -4.073 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -8.047 -4.136 -1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -8.616 -5.625 -0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -7.177 -7.462 2.274 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -8.154 -7.099 0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.447 -7.570 0.655 1.00 0.00 H new ATOM 1572 N GLU A 99 -5.938 -5.320 -3.367 1.00 0.00 N ATOM 1573 CA GLU A 99 -5.570 -4.662 -4.609 1.00 0.00 C ATOM 1574 C GLU A 99 -6.563 -3.544 -4.931 1.00 0.00 C ATOM 1575 O GLU A 99 -7.721 -3.599 -4.521 1.00 0.00 O ATOM 1576 CB GLU A 99 -5.486 -5.668 -5.759 1.00 0.00 C ATOM 1577 CG GLU A 99 -4.400 -5.268 -6.759 1.00 0.00 C ATOM 1578 CD GLU A 99 -4.238 -6.331 -7.848 1.00 0.00 C ATOM 1579 OE1 GLU A 99 -4.022 -7.511 -7.534 1.00 0.00 O ATOM 1580 OE2 GLU A 99 -4.345 -5.894 -9.057 1.00 0.00 O ATOM 0 H GLU A 99 -6.636 -6.057 -3.466 1.00 0.00 H new ATOM 0 HA GLU A 99 -4.582 -4.220 -4.484 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.273 -6.661 -5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.449 -5.727 -6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -4.655 -4.311 -7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -3.453 -5.130 -6.237 1.00 0.00 H new ATOM 1588 N PHE A 100 -6.073 -2.554 -5.663 1.00 0.00 N ATOM 1589 CA PHE A 100 -6.903 -1.424 -6.045 1.00 0.00 C ATOM 1590 C PHE A 100 -6.492 -0.880 -7.415 1.00 0.00 C ATOM 1591 O PHE A 100 -5.354 -1.063 -7.843 1.00 0.00 O ATOM 1592 CB PHE A 100 -6.688 -0.335 -4.992 1.00 0.00 C ATOM 1593 CG PHE A 100 -5.267 0.231 -4.963 1.00 0.00 C ATOM 1594 CD1 PHE A 100 -4.820 1.000 -5.992 1.00 0.00 C ATOM 1595 CD2 PHE A 100 -4.450 -0.035 -3.908 1.00 0.00 C ATOM 1596 CE1 PHE A 100 -3.501 1.525 -5.965 1.00 0.00 C ATOM 1597 CE2 PHE A 100 -3.131 0.490 -3.881 1.00 0.00 C ATOM 1598 CZ PHE A 100 -2.684 1.259 -4.910 1.00 0.00 C ATOM 0 H PHE A 100 -5.112 -2.511 -6.002 1.00 0.00 H new ATOM 0 HA PHE A 100 -7.947 -1.732 -6.104 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -7.389 0.479 -5.178 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -6.926 -0.742 -4.009 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -5.468 1.211 -6.830 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -4.805 -0.646 -3.091 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -3.146 2.136 -6.782 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -2.483 0.279 -3.043 1.00 0.00 H new ATOM 0 HZ PHE A 100 -1.681 1.658 -4.890 1.00 0.00 H new ATOM 1608 N LYS A 101 -7.442 -0.222 -8.064 1.00 0.00 N ATOM 1609 CA LYS A 101 -7.193 0.349 -9.376 1.00 0.00 C ATOM 1610 C LYS A 101 -7.843 1.732 -9.458 1.00 0.00 C ATOM 1611 O LYS A 101 -8.834 1.996 -8.778 1.00 0.00 O ATOM 1612 CB LYS A 101 -7.651 -0.612 -10.475 1.00 0.00 C ATOM 1613 CG LYS A 101 -9.177 -0.635 -10.582 1.00 0.00 C ATOM 1614 CD LYS A 101 -9.622 -0.923 -12.017 1.00 0.00 C ATOM 1615 CE LYS A 101 -10.998 -0.315 -12.296 1.00 0.00 C ATOM 1616 NZ LYS A 101 -11.477 -0.712 -13.639 1.00 0.00 N ATOM 0 H LYS A 101 -8.385 -0.072 -7.705 1.00 0.00 H new ATOM 0 HA LYS A 101 -6.124 0.489 -9.533 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -7.220 -0.310 -11.430 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.283 -1.616 -10.262 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.581 -1.395 -9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -9.582 0.323 -10.257 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.892 -0.516 -12.717 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -9.656 -2.000 -12.182 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -11.708 -0.645 -11.538 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.942 0.772 -12.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.412 -0.291 -13.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.807 -0.376 -14.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.549 -1.748 -13.690 1.00 0.00 H new ATOM 1629 N CYS A 102 -7.260 2.577 -10.295 1.00 0.00 N ATOM 1630 CA CYS A 102 -7.771 3.925 -10.474 1.00 0.00 C ATOM 1631 C CYS A 102 -8.771 3.911 -11.633 1.00 0.00 C ATOM 1632 O CYS A 102 -8.381 3.776 -12.792 1.00 0.00 O ATOM 1633 CB CYS A 102 -6.642 4.932 -10.707 1.00 0.00 C ATOM 1634 SG CYS A 102 -7.324 6.493 -11.376 1.00 0.00 S ATOM 0 H CYS A 102 -6.438 2.354 -10.857 1.00 0.00 H new ATOM 0 HA CYS A 102 -8.276 4.248 -9.564 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -6.118 5.126 -9.771 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.911 4.517 -11.402 1.00 0.00 H new ATOM 0 HG CYS A 102 -6.358 7.341 -11.568 1.00 0.00 H new ATOM 1640 N LEU A 103 -10.040 4.050 -11.279 1.00 0.00 N ATOM 1641 CA LEU A 103 -11.098 4.055 -12.275 1.00 0.00 C ATOM 1642 C LEU A 103 -10.643 4.862 -13.492 1.00 0.00 C ATOM 1643 O LEU A 103 -11.466 5.287 -14.303 1.00 0.00 O ATOM 1644 CB LEU A 103 -12.409 4.552 -11.662 1.00 0.00 C ATOM 1645 CG LEU A 103 -12.313 5.821 -10.812 1.00 0.00 C ATOM 1646 CD1 LEU A 103 -12.423 7.074 -11.683 1.00 0.00 C ATOM 1647 CD2 LEU A 103 -13.353 5.809 -9.690 1.00 0.00 C ATOM 0 H LEU A 103 -10.359 4.160 -10.317 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.300 3.041 -12.622 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.119 4.732 -12.469 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.823 3.755 -11.044 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.331 5.843 -10.340 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -12.352 7.962 -11.054 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.614 7.081 -12.414 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -13.381 7.073 -12.202 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -13.263 6.722 -9.101 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.353 5.752 -10.121 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.185 4.945 -9.047 1.00 0.00 H new TER 1659 LEU A 103