USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 888 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 78 CYS SG : rot 180:sc= 0.00946 USER MOD Set 1.2: A 82 ASN : amide:sc= 0.00955 X(o=0.019,f=0.097) USER MOD Set 2.1: A 65 GLN : amide:sc= 0 X(o=-0.35,f=-0.36) USER MOD Set 2.2: A 103 TYR OH : rot -3:sc= -0.352 USER MOD Set 3.1: A 47 MET CE :methyl -116:sc= -1.52 (180deg=-3.86) USER MOD Set 3.2: A 55 LYS NZ :NH3+ -133:sc= -0.206 (180deg=-2.29!) USER MOD Set 4.1: A 7 ASN : amide:sc= -0.0891 X(o=-0.49,f=-0.4) USER MOD Set 4.2: A 56 MET CE :methyl -150:sc= -0.398 (180deg=-1.59!) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.0471 X(o=-0.047,f=-0.25) USER MOD Single : A 6 CYS SG : rot -157:sc= 0.0103 USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0135) USER MOD Single : A 15 SER OG : rot 180:sc= -0.0477 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS :FLIP no HD1:sc= -0.383 F(o=-1.5,f=-0.38) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -100:sc= -1.42 USER MOD Single : A 27 LYS NZ :NH3+ -159:sc=-0.00643 (180deg=-0.238) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -0.233 X(o=-0.23,f=-0.53) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.15 F(o=-0.78,f=-0.15) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.212 X(o=-0.21,f=0) USER MOD Single : A 50 SER OG : rot 98:sc= 0.0396 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 30:sc= -0.191 USER MOD Single : A 74 MET CE :methyl -151:sc= -0.126 (180deg=-1.01) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.9!) USER MOD Single : A 79 TYR OH : rot 120:sc= -0.235 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.118 K(o=-0.12,f=-0.71) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 162:sc= -0.0175 (180deg=-0.112) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 105 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0669) USER MOD Single : A 106 MET CE :methyl -158:sc= -0.0893 (180deg=-0.558) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -15.143 12.936 -1.361 1.00 0.00 N ATOM 2 CA GLU A 1 -14.985 11.515 -1.780 1.00 0.00 C ATOM 3 C GLU A 1 -13.747 10.887 -1.145 1.00 0.00 C ATOM 4 O GLU A 1 -12.649 11.440 -1.229 1.00 0.00 O ATOM 5 CB GLU A 1 -14.873 11.462 -3.308 1.00 0.00 C ATOM 6 CG GLU A 1 -15.786 10.431 -3.957 1.00 0.00 C ATOM 7 CD GLU A 1 -15.217 9.870 -5.250 1.00 0.00 C ATOM 8 OE1 GLU A 1 -13.996 9.608 -5.302 1.00 0.00 O ATOM 9 OE2 GLU A 1 -15.995 9.692 -6.210 1.00 0.00 O ATOM 0 H1 GLU A 1 -15.992 13.337 -1.808 1.00 0.00 H new ATOM 0 H2 GLU A 1 -15.240 12.984 -0.327 1.00 0.00 H new ATOM 0 H3 GLU A 1 -14.307 13.480 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 1 -15.854 10.948 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -15.106 12.446 -3.714 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -13.841 11.241 -3.580 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -15.959 9.614 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -16.755 10.887 -4.160 1.00 0.00 H new ATOM 18 N GLN A 2 -13.930 9.729 -0.512 1.00 0.00 N ATOM 19 CA GLN A 2 -12.829 9.021 0.137 1.00 0.00 C ATOM 20 C GLN A 2 -11.789 8.564 -0.887 1.00 0.00 C ATOM 21 O GLN A 2 -10.585 8.628 -0.629 1.00 0.00 O ATOM 22 CB GLN A 2 -13.359 7.817 0.916 1.00 0.00 C ATOM 23 CG GLN A 2 -14.590 8.122 1.759 1.00 0.00 C ATOM 24 CD GLN A 2 -14.361 7.878 3.237 1.00 0.00 C ATOM 25 OE1 GLN A 2 -14.980 6.999 3.836 1.00 0.00 O ATOM 26 NE2 GLN A 2 -13.469 8.659 3.835 1.00 0.00 N ATOM 0 H GLN A 2 -14.833 9.261 -0.435 1.00 0.00 H new ATOM 0 HA GLN A 2 -12.347 9.711 0.830 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -13.600 7.019 0.213 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -12.569 7.441 1.566 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -14.881 9.161 1.607 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -15.421 7.505 1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.978 9.376 3.300 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -13.274 8.542 4.829 1.00 0.00 H new ATOM 35 N LEU A 3 -12.263 8.108 -2.051 1.00 0.00 N ATOM 36 CA LEU A 3 -11.377 7.646 -3.122 1.00 0.00 C ATOM 37 C LEU A 3 -10.409 8.750 -3.552 1.00 0.00 C ATOM 38 O LEU A 3 -9.251 8.478 -3.872 1.00 0.00 O ATOM 39 CB LEU A 3 -12.199 7.176 -4.330 1.00 0.00 C ATOM 40 CG LEU A 3 -12.383 5.660 -4.456 1.00 0.00 C ATOM 41 CD1 LEU A 3 -11.035 4.956 -4.527 1.00 0.00 C ATOM 42 CD2 LEU A 3 -13.211 5.122 -3.297 1.00 0.00 C ATOM 0 H LEU A 3 -13.256 8.049 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 3 -10.795 6.809 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.184 7.641 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -11.720 7.543 -5.238 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.920 5.458 -5.383 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.190 3.881 -4.616 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.482 5.316 -5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.466 5.167 -3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -13.330 4.044 -3.405 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -12.704 5.339 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -14.192 5.598 -3.299 1.00 0.00 H new ATOM 54 N LYS A 4 -10.890 9.996 -3.552 1.00 0.00 N ATOM 55 CA LYS A 4 -10.065 11.140 -3.943 1.00 0.00 C ATOM 56 C LYS A 4 -8.843 11.268 -3.035 1.00 0.00 C ATOM 57 O LYS A 4 -7.726 11.463 -3.515 1.00 0.00 O ATOM 58 CB LYS A 4 -10.888 12.433 -3.901 1.00 0.00 C ATOM 59 CG LYS A 4 -10.456 13.469 -4.929 1.00 0.00 C ATOM 60 CD LYS A 4 -10.759 13.013 -6.350 1.00 0.00 C ATOM 61 CE LYS A 4 -9.605 13.321 -7.292 1.00 0.00 C ATOM 62 NZ LYS A 4 -8.550 12.267 -7.252 1.00 0.00 N ATOM 0 H LYS A 4 -11.845 10.237 -3.286 1.00 0.00 H new ATOM 0 HA LYS A 4 -9.720 10.973 -4.963 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -11.938 12.190 -4.063 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.812 12.869 -2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.967 14.412 -4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.387 13.659 -4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.958 11.941 -6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.663 13.507 -6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.984 13.415 -8.310 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -9.166 14.282 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -7.784 12.518 -7.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.169 12.194 -6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -8.961 11.354 -7.532 1.00 0.00 H new ATOM 76 N HIS A 5 -9.060 11.148 -1.725 1.00 0.00 N ATOM 77 CA HIS A 5 -7.972 11.241 -0.753 1.00 0.00 C ATOM 78 C HIS A 5 -6.974 10.103 -0.945 1.00 0.00 C ATOM 79 O HIS A 5 -5.762 10.317 -0.897 1.00 0.00 O ATOM 80 CB HIS A 5 -8.522 11.209 0.675 1.00 0.00 C ATOM 81 CG HIS A 5 -8.690 12.565 1.285 1.00 0.00 C ATOM 82 ND1 HIS A 5 -7.675 13.500 1.334 1.00 0.00 N ATOM 83 CD2 HIS A 5 -9.762 13.146 1.875 1.00 0.00 C ATOM 84 CE1 HIS A 5 -8.116 14.594 1.928 1.00 0.00 C ATOM 85 NE2 HIS A 5 -9.378 14.405 2.265 1.00 0.00 N ATOM 0 H HIS A 5 -9.979 10.986 -1.313 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.459 12.189 -0.915 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -9.486 10.699 0.673 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.851 10.620 1.300 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -10.737 12.702 2.013 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -7.542 15.491 2.107 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -9.972 15.085 2.739 1.00 0.00 H new ATOM 94 N CYS A 6 -7.492 8.894 -1.169 1.00 0.00 N ATOM 95 CA CYS A 6 -6.646 7.720 -1.378 1.00 0.00 C ATOM 96 C CYS A 6 -5.701 7.937 -2.559 1.00 0.00 C ATOM 97 O CYS A 6 -4.539 7.530 -2.516 1.00 0.00 O ATOM 98 CB CYS A 6 -7.505 6.475 -1.622 1.00 0.00 C ATOM 99 SG CYS A 6 -6.706 4.923 -1.151 1.00 0.00 S ATOM 0 H CYS A 6 -8.493 8.703 -1.210 1.00 0.00 H new ATOM 0 HA CYS A 6 -6.051 7.569 -0.477 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -8.437 6.575 -1.065 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.768 6.430 -2.679 1.00 0.00 H new ATOM 0 HG CYS A 6 -7.249 3.939 -1.805 1.00 0.00 H new ATOM 105 N ASN A 7 -6.209 8.585 -3.609 1.00 0.00 N ATOM 106 CA ASN A 7 -5.414 8.862 -4.804 1.00 0.00 C ATOM 107 C ASN A 7 -4.225 9.765 -4.477 1.00 0.00 C ATOM 108 O ASN A 7 -3.146 9.613 -5.051 1.00 0.00 O ATOM 109 CB ASN A 7 -6.284 9.508 -5.888 1.00 0.00 C ATOM 110 CG ASN A 7 -6.872 8.486 -6.845 1.00 0.00 C ATOM 111 OD1 ASN A 7 -6.786 8.640 -8.063 1.00 0.00 O ATOM 112 ND2 ASN A 7 -7.474 7.435 -6.299 1.00 0.00 N ATOM 0 H ASN A 7 -7.169 8.928 -3.655 1.00 0.00 H new ATOM 0 HA ASN A 7 -5.029 7.913 -5.178 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -7.092 10.067 -5.416 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.686 10.226 -6.450 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -7.887 6.717 -6.895 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.523 7.346 -5.284 1.00 0.00 H new ATOM 119 N VAL A 8 -4.427 10.700 -3.550 1.00 0.00 N ATOM 120 CA VAL A 8 -3.365 11.618 -3.147 1.00 0.00 C ATOM 121 C VAL A 8 -2.238 10.872 -2.434 1.00 0.00 C ATOM 122 O VAL A 8 -1.061 11.180 -2.624 1.00 0.00 O ATOM 123 CB VAL A 8 -3.895 12.735 -2.223 1.00 0.00 C ATOM 124 CG1 VAL A 8 -2.813 13.773 -1.968 1.00 0.00 C ATOM 125 CG2 VAL A 8 -5.137 13.385 -2.819 1.00 0.00 C ATOM 0 H VAL A 8 -5.314 10.841 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.980 12.073 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.173 12.288 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.204 14.553 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.956 13.296 -1.492 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.502 14.215 -2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.493 14.169 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -4.891 13.818 -3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.916 12.633 -2.944 1.00 0.00 H new ATOM 135 N ILE A 9 -2.607 9.884 -1.617 1.00 0.00 N ATOM 136 CA ILE A 9 -1.627 9.088 -0.881 1.00 0.00 C ATOM 137 C ILE A 9 -0.701 8.337 -1.843 1.00 0.00 C ATOM 138 O ILE A 9 0.508 8.263 -1.618 1.00 0.00 O ATOM 139 CB ILE A 9 -2.311 8.079 0.070 1.00 0.00 C ATOM 140 CG1 ILE A 9 -3.357 8.786 0.941 1.00 0.00 C ATOM 141 CG2 ILE A 9 -1.274 7.383 0.944 1.00 0.00 C ATOM 142 CD1 ILE A 9 -4.101 7.856 1.876 1.00 0.00 C ATOM 0 H ILE A 9 -3.577 9.617 -1.449 1.00 0.00 H new ATOM 0 HA ILE A 9 -1.037 9.782 -0.282 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.817 7.325 -0.534 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.864 9.560 1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.076 9.288 0.294 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.773 6.676 1.607 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.565 6.849 0.312 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -0.742 8.126 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.823 8.428 2.459 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.624 7.097 1.294 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -3.392 7.373 2.549 1.00 0.00 H new ATOM 154 N LEU A 10 -1.276 7.791 -2.919 1.00 0.00 N ATOM 155 CA LEU A 10 -0.503 7.053 -3.921 1.00 0.00 C ATOM 156 C LEU A 10 0.514 7.963 -4.609 1.00 0.00 C ATOM 157 O LEU A 10 1.664 7.574 -4.817 1.00 0.00 O ATOM 158 CB LEU A 10 -1.433 6.438 -4.975 1.00 0.00 C ATOM 159 CG LEU A 10 -1.055 5.030 -5.456 1.00 0.00 C ATOM 160 CD1 LEU A 10 0.372 4.998 -5.986 1.00 0.00 C ATOM 161 CD2 LEU A 10 -1.233 4.015 -4.337 1.00 0.00 C ATOM 0 H LEU A 10 -2.275 7.847 -3.118 1.00 0.00 H new ATOM 0 HA LEU A 10 0.031 6.256 -3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.443 6.403 -4.566 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.462 7.102 -5.839 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.725 4.763 -6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.614 3.989 -6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.465 5.689 -6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.061 5.293 -5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.960 3.024 -4.698 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -0.593 4.284 -3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.274 4.009 -4.013 1.00 0.00 H new ATOM 173 N LYS A 11 0.082 9.176 -4.962 1.00 0.00 N ATOM 174 CA LYS A 11 0.956 10.139 -5.627 1.00 0.00 C ATOM 175 C LYS A 11 2.184 10.442 -4.771 1.00 0.00 C ATOM 176 O LYS A 11 3.301 10.527 -5.284 1.00 0.00 O ATOM 177 CB LYS A 11 0.196 11.433 -5.931 1.00 0.00 C ATOM 178 CG LYS A 11 -0.549 11.407 -7.257 1.00 0.00 C ATOM 179 CD LYS A 11 -1.522 12.572 -7.373 1.00 0.00 C ATOM 180 CE LYS A 11 -2.886 12.120 -7.876 1.00 0.00 C ATOM 181 NZ LYS A 11 -2.813 11.515 -9.238 1.00 0.00 N ATOM 0 H LYS A 11 -0.867 9.512 -4.798 1.00 0.00 H new ATOM 0 HA LYS A 11 1.290 9.698 -6.566 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.516 11.623 -5.128 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.900 12.265 -5.936 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.166 11.446 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.092 10.467 -7.352 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.634 13.051 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.114 13.321 -8.052 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.306 11.394 -7.180 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.565 12.972 -7.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.773 11.300 -9.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.359 12.185 -9.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -2.255 10.638 -9.199 1.00 0.00 H new ATOM 195 N GLU A 12 1.972 10.593 -3.462 1.00 0.00 N ATOM 196 CA GLU A 12 3.067 10.875 -2.536 1.00 0.00 C ATOM 197 C GLU A 12 4.007 9.676 -2.420 1.00 0.00 C ATOM 198 O GLU A 12 5.225 9.840 -2.359 1.00 0.00 O ATOM 199 CB GLU A 12 2.523 11.245 -1.153 1.00 0.00 C ATOM 200 CG GLU A 12 3.396 12.241 -0.405 1.00 0.00 C ATOM 201 CD GLU A 12 3.375 13.620 -1.035 1.00 0.00 C ATOM 202 OE1 GLU A 12 2.497 14.426 -0.663 1.00 0.00 O ATOM 203 OE2 GLU A 12 4.237 13.893 -1.897 1.00 0.00 O ATOM 0 H GLU A 12 1.054 10.525 -3.022 1.00 0.00 H new ATOM 0 HA GLU A 12 3.629 11.721 -2.933 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.522 11.663 -1.265 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.425 10.339 -0.555 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.057 12.312 0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.422 11.873 -0.379 1.00 0.00 H new ATOM 210 N LEU A 13 3.430 8.470 -2.396 1.00 0.00 N ATOM 211 CA LEU A 13 4.217 7.240 -2.294 1.00 0.00 C ATOM 212 C LEU A 13 5.144 7.078 -3.503 1.00 0.00 C ATOM 213 O LEU A 13 6.241 6.535 -3.380 1.00 0.00 O ATOM 214 CB LEU A 13 3.294 6.021 -2.178 1.00 0.00 C ATOM 215 CG LEU A 13 2.511 5.915 -0.865 1.00 0.00 C ATOM 216 CD1 LEU A 13 1.252 5.082 -1.059 1.00 0.00 C ATOM 217 CD2 LEU A 13 3.383 5.321 0.233 1.00 0.00 C ATOM 0 H LEU A 13 2.422 8.321 -2.446 1.00 0.00 H new ATOM 0 HA LEU A 13 4.830 7.309 -1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.584 6.044 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.894 5.119 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 13 2.215 6.919 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.709 5.018 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.618 5.551 -1.812 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.526 4.080 -1.389 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.809 5.254 1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.712 4.325 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.253 5.958 0.392 1.00 0.00 H new ATOM 229 N LEU A 14 4.697 7.555 -4.666 1.00 0.00 N ATOM 230 CA LEU A 14 5.490 7.466 -5.894 1.00 0.00 C ATOM 231 C LEU A 14 6.334 8.731 -6.125 1.00 0.00 C ATOM 232 O LEU A 14 7.044 8.825 -7.127 1.00 0.00 O ATOM 233 CB LEU A 14 4.573 7.225 -7.099 1.00 0.00 C ATOM 234 CG LEU A 14 4.333 5.754 -7.453 1.00 0.00 C ATOM 235 CD1 LEU A 14 2.896 5.543 -7.907 1.00 0.00 C ATOM 236 CD2 LEU A 14 5.308 5.296 -8.531 1.00 0.00 C ATOM 0 H LEU A 14 3.790 8.007 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 14 6.174 6.625 -5.781 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.610 7.696 -6.902 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.002 7.726 -7.967 1.00 0.00 H new ATOM 0 HG LEU A 14 4.504 5.153 -6.560 1.00 0.00 H new ATOM 0 HD11 LEU A 14 2.743 4.493 -8.154 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.215 5.830 -7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.699 6.155 -8.787 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.122 4.249 -8.769 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.171 5.902 -9.427 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.330 5.410 -8.169 1.00 0.00 H new ATOM 248 N SER A 15 6.249 9.702 -5.207 1.00 0.00 N ATOM 249 CA SER A 15 7.003 10.953 -5.334 1.00 0.00 C ATOM 250 C SER A 15 8.520 10.703 -5.304 1.00 0.00 C ATOM 251 O SER A 15 9.118 10.403 -6.339 1.00 0.00 O ATOM 252 CB SER A 15 6.588 11.940 -4.233 1.00 0.00 C ATOM 253 OG SER A 15 7.429 13.082 -4.214 1.00 0.00 O ATOM 0 H SER A 15 5.667 9.645 -4.371 1.00 0.00 H new ATOM 0 HA SER A 15 6.765 11.392 -6.303 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.555 12.250 -4.392 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.626 11.443 -3.264 1.00 0.00 H new ATOM 0 HG SER A 15 7.138 13.691 -3.504 1.00 0.00 H new ATOM 259 N LYS A 16 9.145 10.836 -4.126 1.00 0.00 N ATOM 260 CA LYS A 16 10.589 10.630 -3.998 1.00 0.00 C ATOM 261 C LYS A 16 10.950 10.005 -2.649 1.00 0.00 C ATOM 262 O LYS A 16 11.440 8.875 -2.593 1.00 0.00 O ATOM 263 CB LYS A 16 11.339 11.956 -4.166 1.00 0.00 C ATOM 264 CG LYS A 16 10.953 12.737 -5.412 1.00 0.00 C ATOM 265 CD LYS A 16 12.163 13.395 -6.052 1.00 0.00 C ATOM 266 CE LYS A 16 11.844 14.802 -6.534 1.00 0.00 C ATOM 267 NZ LYS A 16 12.984 15.737 -6.323 1.00 0.00 N ATOM 0 H LYS A 16 8.675 11.084 -3.255 1.00 0.00 H new ATOM 0 HA LYS A 16 10.890 9.941 -4.787 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.155 12.578 -3.290 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.410 11.754 -4.195 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.479 12.068 -6.130 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.218 13.499 -5.152 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.981 13.433 -5.332 1.00 0.00 H new ATOM 0 HD3 LYS A 16 12.505 12.791 -6.892 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.590 14.773 -7.594 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.966 15.176 -6.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.724 16.684 -6.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.210 15.785 -5.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 13.815 15.395 -6.847 1.00 0.00 H new ATOM 281 N LYS A 17 10.715 10.749 -1.565 1.00 0.00 N ATOM 282 CA LYS A 17 11.025 10.269 -0.215 1.00 0.00 C ATOM 283 C LYS A 17 10.289 8.966 0.098 1.00 0.00 C ATOM 284 O LYS A 17 10.839 8.074 0.745 1.00 0.00 O ATOM 285 CB LYS A 17 10.674 11.332 0.833 1.00 0.00 C ATOM 286 CG LYS A 17 9.186 11.640 0.928 1.00 0.00 C ATOM 287 CD LYS A 17 8.940 12.982 1.598 1.00 0.00 C ATOM 288 CE LYS A 17 8.539 14.044 0.586 1.00 0.00 C ATOM 289 NZ LYS A 17 7.866 15.204 1.233 1.00 0.00 N ATOM 0 H LYS A 17 10.311 11.685 -1.595 1.00 0.00 H new ATOM 0 HA LYS A 17 12.097 10.073 -0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.028 10.997 1.808 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.211 12.251 0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.749 11.645 -0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.685 10.853 1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.156 12.877 2.348 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.842 13.299 2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.425 14.390 0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.872 13.605 -0.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.609 15.905 0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.007 14.879 1.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.511 15.640 1.922 1.00 0.00 H new ATOM 303 N HIS A 18 9.045 8.865 -0.368 1.00 0.00 N ATOM 304 CA HIS A 18 8.232 7.672 -0.144 1.00 0.00 C ATOM 305 C HIS A 18 8.381 6.673 -1.296 1.00 0.00 C ATOM 306 O HIS A 18 7.878 5.549 -1.218 1.00 0.00 O ATOM 307 CB HIS A 18 6.761 8.059 0.018 1.00 0.00 C ATOM 308 CG HIS A 18 6.523 9.068 1.097 1.00 0.00 C ATOM 309 ND1 HIS A 18 6.183 10.377 1.026 1.00 0.00 N flip ATOM 310 CD2 HIS A 18 6.631 8.774 2.439 1.00 0.00 C flip ATOM 311 CE1 HIS A 18 6.093 10.842 2.314 1.00 0.00 C flip ATOM 312 NE2 HIS A 18 6.366 9.857 3.148 1.00 0.00 N flip ATOM 0 H HIS A 18 8.578 9.597 -0.904 1.00 0.00 H new ATOM 0 HA HIS A 18 8.584 7.194 0.770 1.00 0.00 H new ATOM 0 HB2 HIS A 18 6.392 8.457 -0.928 1.00 0.00 H new ATOM 0 HB3 HIS A 18 6.180 7.163 0.235 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.892 7.809 2.848 1.00 0.00 H new ATOM 0 HE1 HIS A 18 5.839 11.852 2.599 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.372 9.921 4.166 1.00 0.00 H new ATOM 321 N ALA A 19 9.069 7.088 -2.363 1.00 0.00 N ATOM 322 CA ALA A 19 9.277 6.232 -3.527 1.00 0.00 C ATOM 323 C ALA A 19 10.257 5.101 -3.227 1.00 0.00 C ATOM 324 O ALA A 19 10.060 3.975 -3.683 1.00 0.00 O ATOM 325 CB ALA A 19 9.770 7.054 -4.708 1.00 0.00 C ATOM 0 H ALA A 19 9.491 8.013 -2.442 1.00 0.00 H new ATOM 0 HA ALA A 19 8.317 5.782 -3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.920 6.401 -5.568 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.030 7.816 -4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.713 7.535 -4.448 1.00 0.00 H new ATOM 331 N ALA A 20 11.311 5.402 -2.459 1.00 0.00 N ATOM 332 CA ALA A 20 12.320 4.397 -2.103 1.00 0.00 C ATOM 333 C ALA A 20 11.684 3.140 -1.506 1.00 0.00 C ATOM 334 O ALA A 20 12.221 2.041 -1.641 1.00 0.00 O ATOM 335 CB ALA A 20 13.340 4.976 -1.134 1.00 0.00 C ATOM 0 H ALA A 20 11.487 6.330 -2.073 1.00 0.00 H new ATOM 0 HA ALA A 20 12.828 4.111 -3.024 1.00 0.00 H new ATOM 0 HB1 ALA A 20 14.078 4.214 -0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 20 13.840 5.827 -1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.834 5.303 -0.226 1.00 0.00 H new ATOM 341 N TYR A 21 10.540 3.312 -0.846 1.00 0.00 N ATOM 342 CA TYR A 21 9.827 2.196 -0.231 1.00 0.00 C ATOM 343 C TYR A 21 8.662 1.730 -1.113 1.00 0.00 C ATOM 344 O TYR A 21 8.144 0.622 -0.940 1.00 0.00 O ATOM 345 CB TYR A 21 9.305 2.607 1.149 1.00 0.00 C ATOM 346 CG TYR A 21 10.365 3.223 2.037 1.00 0.00 C ATOM 347 CD1 TYR A 21 10.841 4.508 1.800 1.00 0.00 C ATOM 348 CD2 TYR A 21 10.896 2.515 3.103 1.00 0.00 C ATOM 349 CE1 TYR A 21 11.815 5.066 2.602 1.00 0.00 C ATOM 350 CE2 TYR A 21 11.873 3.066 3.910 1.00 0.00 C ATOM 351 CZ TYR A 21 12.328 4.341 3.655 1.00 0.00 C ATOM 352 OH TYR A 21 13.304 4.890 4.454 1.00 0.00 O ATOM 0 H TYR A 21 10.086 4.217 -0.724 1.00 0.00 H new ATOM 0 HA TYR A 21 10.525 1.365 -0.122 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.489 3.319 1.023 1.00 0.00 H new ATOM 0 HB3 TYR A 21 8.889 1.731 1.647 1.00 0.00 H new ATOM 0 HD1 TYR A 21 10.442 5.078 0.975 1.00 0.00 H new ATOM 0 HD2 TYR A 21 10.540 1.516 3.307 1.00 0.00 H new ATOM 0 HE1 TYR A 21 12.173 6.066 2.405 1.00 0.00 H new ATOM 0 HE2 TYR A 21 12.278 2.500 4.736 1.00 0.00 H new ATOM 0 HH TYR A 21 13.556 4.248 5.151 1.00 0.00 H new ATOM 362 N ALA A 22 8.250 2.581 -2.056 1.00 0.00 N ATOM 363 CA ALA A 22 7.144 2.265 -2.954 1.00 0.00 C ATOM 364 C ALA A 22 7.577 1.419 -4.154 1.00 0.00 C ATOM 365 O ALA A 22 6.816 0.566 -4.606 1.00 0.00 O ATOM 366 CB ALA A 22 6.477 3.545 -3.435 1.00 0.00 C ATOM 0 H ALA A 22 8.670 3.497 -2.215 1.00 0.00 H new ATOM 0 HA ALA A 22 6.433 1.669 -2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.653 3.297 -4.104 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.094 4.100 -2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.205 4.157 -3.967 1.00 0.00 H new ATOM 372 N TRP A 23 8.786 1.654 -4.685 1.00 0.00 N ATOM 373 CA TRP A 23 9.252 0.889 -5.846 1.00 0.00 C ATOM 374 C TRP A 23 9.510 -0.587 -5.510 1.00 0.00 C ATOM 375 O TRP A 23 9.243 -1.458 -6.341 1.00 0.00 O ATOM 376 CB TRP A 23 10.498 1.526 -6.480 1.00 0.00 C ATOM 377 CG TRP A 23 11.730 1.438 -5.637 1.00 0.00 C ATOM 378 CD1 TRP A 23 12.243 2.417 -4.842 1.00 0.00 C ATOM 379 CD2 TRP A 23 12.607 0.313 -5.508 1.00 0.00 C ATOM 380 NE1 TRP A 23 13.373 1.968 -4.213 1.00 0.00 N ATOM 381 CE2 TRP A 23 13.623 0.681 -4.608 1.00 0.00 C ATOM 382 CE3 TRP A 23 12.628 -0.970 -6.062 1.00 0.00 C ATOM 383 CZ2 TRP A 23 14.651 -0.189 -4.250 1.00 0.00 C ATOM 384 CZ3 TRP A 23 13.648 -1.832 -5.706 1.00 0.00 C ATOM 385 CH2 TRP A 23 14.647 -1.438 -4.808 1.00 0.00 C ATOM 0 H TRP A 23 9.444 2.351 -4.337 1.00 0.00 H new ATOM 0 HA TRP A 23 8.444 0.919 -6.577 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.692 1.043 -7.438 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.289 2.575 -6.689 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.820 3.404 -4.725 1.00 0.00 H new ATOM 0 HE1 TRP A 23 13.938 2.506 -3.556 1.00 0.00 H new ATOM 0 HE3 TRP A 23 11.861 -1.282 -6.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 15.423 0.112 -3.557 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 13.675 -2.826 -6.128 1.00 0.00 H new ATOM 0 HH2 TRP A 23 15.431 -2.135 -4.550 1.00 0.00 H new ATOM 396 N PRO A 24 10.020 -0.911 -4.295 1.00 0.00 N ATOM 397 CA PRO A 24 10.283 -2.299 -3.905 1.00 0.00 C ATOM 398 C PRO A 24 8.992 -3.082 -3.691 1.00 0.00 C ATOM 399 O PRO A 24 8.859 -4.213 -4.161 1.00 0.00 O ATOM 400 CB PRO A 24 11.061 -2.188 -2.585 1.00 0.00 C ATOM 401 CG PRO A 24 11.392 -0.742 -2.425 1.00 0.00 C ATOM 402 CD PRO A 24 10.368 0.020 -3.214 1.00 0.00 C ATOM 0 HA PRO A 24 10.832 -2.834 -4.680 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.462 -2.547 -1.748 1.00 0.00 H new ATOM 0 HB3 PRO A 24 11.966 -2.795 -2.613 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.366 -0.452 -1.375 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.398 -0.532 -2.789 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.500 0.275 -2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.772 0.955 -3.602 1.00 0.00 H new ATOM 410 N PHE A 25 8.038 -2.469 -2.983 1.00 0.00 N ATOM 411 CA PHE A 25 6.754 -3.114 -2.713 1.00 0.00 C ATOM 412 C PHE A 25 5.797 -3.013 -3.909 1.00 0.00 C ATOM 413 O PHE A 25 4.684 -3.543 -3.862 1.00 0.00 O ATOM 414 CB PHE A 25 6.106 -2.496 -1.471 1.00 0.00 C ATOM 415 CG PHE A 25 6.681 -3.005 -0.176 1.00 0.00 C ATOM 416 CD1 PHE A 25 6.408 -4.292 0.259 1.00 0.00 C ATOM 417 CD2 PHE A 25 7.495 -2.196 0.603 1.00 0.00 C ATOM 418 CE1 PHE A 25 6.934 -4.763 1.447 1.00 0.00 C ATOM 419 CE2 PHE A 25 8.024 -2.662 1.791 1.00 0.00 C ATOM 420 CZ PHE A 25 7.744 -3.947 2.214 1.00 0.00 C ATOM 0 H PHE A 25 8.132 -1.533 -2.590 1.00 0.00 H new ATOM 0 HA PHE A 25 6.950 -4.172 -2.536 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.224 -1.413 -1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.036 -2.701 -1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.777 -4.934 -0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 25 7.718 -1.191 0.277 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.712 -5.768 1.776 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.656 -2.022 2.389 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.157 -4.313 3.142 1.00 0.00 H new ATOM 430 N TYR A 26 6.227 -2.336 -4.979 1.00 0.00 N ATOM 431 CA TYR A 26 5.400 -2.177 -6.169 1.00 0.00 C ATOM 432 C TYR A 26 5.377 -3.459 -7.001 1.00 0.00 C ATOM 433 O TYR A 26 4.310 -4.012 -7.269 1.00 0.00 O ATOM 434 CB TYR A 26 5.922 -1.017 -7.020 1.00 0.00 C ATOM 435 CG TYR A 26 4.843 -0.059 -7.477 1.00 0.00 C ATOM 436 CD1 TYR A 26 3.696 -0.520 -8.114 1.00 0.00 C ATOM 437 CD2 TYR A 26 4.975 1.310 -7.275 1.00 0.00 C ATOM 438 CE1 TYR A 26 2.712 0.356 -8.534 1.00 0.00 C ATOM 439 CE2 TYR A 26 3.995 2.190 -7.691 1.00 0.00 C ATOM 440 CZ TYR A 26 2.868 1.709 -8.321 1.00 0.00 C ATOM 441 OH TYR A 26 1.893 2.584 -8.741 1.00 0.00 O ATOM 0 H TYR A 26 7.143 -1.891 -5.041 1.00 0.00 H new ATOM 0 HA TYR A 26 4.382 -1.961 -5.845 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.666 -0.464 -6.446 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.430 -1.421 -7.895 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.572 -1.579 -8.283 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.858 1.692 -6.785 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.826 -0.018 -9.026 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.112 3.250 -7.523 1.00 0.00 H new ATOM 0 HH TYR A 26 2.165 2.994 -9.588 1.00 0.00 H new ATOM 451 N LYS A 27 6.563 -3.917 -7.413 1.00 0.00 N ATOM 452 CA LYS A 27 6.695 -5.128 -8.228 1.00 0.00 C ATOM 453 C LYS A 27 5.852 -6.282 -7.680 1.00 0.00 C ATOM 454 O LYS A 27 5.821 -6.524 -6.472 1.00 0.00 O ATOM 455 CB LYS A 27 8.162 -5.559 -8.308 1.00 0.00 C ATOM 456 CG LYS A 27 8.936 -4.895 -9.436 1.00 0.00 C ATOM 457 CD LYS A 27 10.439 -4.979 -9.205 1.00 0.00 C ATOM 458 CE LYS A 27 11.087 -6.029 -10.096 1.00 0.00 C ATOM 459 NZ LYS A 27 10.406 -7.352 -9.993 1.00 0.00 N ATOM 0 H LYS A 27 7.450 -3.464 -7.194 1.00 0.00 H new ATOM 0 HA LYS A 27 6.328 -4.886 -9.225 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.650 -5.330 -7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.207 -6.640 -8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.685 -5.374 -10.382 1.00 0.00 H new ATOM 0 HG3 LYS A 27 8.637 -3.850 -9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 27 10.892 -4.007 -9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 27 10.634 -5.218 -8.160 1.00 0.00 H new ATOM 0 HE2 LYS A 27 11.063 -5.689 -11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 27 12.136 -6.140 -9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.053 -8.101 -10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.133 -7.526 -9.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.556 -7.352 -10.592 1.00 0.00 H new ATOM 473 N PRO A 28 5.156 -7.012 -8.575 1.00 0.00 N ATOM 474 CA PRO A 28 4.308 -8.145 -8.195 1.00 0.00 C ATOM 475 C PRO A 28 5.102 -9.437 -7.992 1.00 0.00 C ATOM 476 O PRO A 28 6.334 -9.434 -8.033 1.00 0.00 O ATOM 477 CB PRO A 28 3.372 -8.276 -9.394 1.00 0.00 C ATOM 478 CG PRO A 28 4.192 -7.833 -10.558 1.00 0.00 C ATOM 479 CD PRO A 28 5.140 -6.784 -10.037 1.00 0.00 C ATOM 0 HA PRO A 28 3.802 -7.981 -7.243 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.028 -9.303 -9.519 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.484 -7.655 -9.274 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.739 -8.671 -10.989 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.559 -7.427 -11.347 1.00 0.00 H new ATOM 0 HD2 PRO A 28 6.135 -6.894 -10.469 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.796 -5.779 -10.281 1.00 0.00 H new ATOM 487 N VAL A 29 4.385 -10.541 -7.777 1.00 0.00 N ATOM 488 CA VAL A 29 5.018 -11.840 -7.574 1.00 0.00 C ATOM 489 C VAL A 29 4.486 -12.867 -8.573 1.00 0.00 C ATOM 490 O VAL A 29 3.667 -13.723 -8.229 1.00 0.00 O ATOM 491 CB VAL A 29 4.800 -12.361 -6.136 1.00 0.00 C ATOM 492 CG1 VAL A 29 5.630 -13.612 -5.891 1.00 0.00 C ATOM 493 CG2 VAL A 29 5.135 -11.283 -5.113 1.00 0.00 C ATOM 0 H VAL A 29 3.366 -10.559 -7.739 1.00 0.00 H new ATOM 0 HA VAL A 29 6.087 -11.702 -7.734 1.00 0.00 H new ATOM 0 HB VAL A 29 3.747 -12.619 -6.022 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.464 -13.965 -4.873 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.335 -14.388 -6.597 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.686 -13.380 -6.027 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.974 -11.673 -4.108 1.00 0.00 H new ATOM 0 HG22 VAL A 29 6.178 -10.987 -5.225 1.00 0.00 H new ATOM 0 HG23 VAL A 29 4.493 -10.417 -5.274 1.00 0.00 H new ATOM 503 N ASP A 30 4.958 -12.774 -9.816 1.00 0.00 N ATOM 504 CA ASP A 30 4.535 -13.690 -10.869 1.00 0.00 C ATOM 505 C ASP A 30 5.271 -15.022 -10.758 1.00 0.00 C ATOM 506 O ASP A 30 6.290 -15.239 -11.418 1.00 0.00 O ATOM 507 CB ASP A 30 4.776 -13.071 -12.250 1.00 0.00 C ATOM 508 CG ASP A 30 3.931 -11.835 -12.489 1.00 0.00 C ATOM 509 OD1 ASP A 30 4.327 -10.747 -12.021 1.00 0.00 O ATOM 510 OD2 ASP A 30 2.875 -11.954 -13.144 1.00 0.00 O ATOM 0 H ASP A 30 5.634 -12.072 -10.116 1.00 0.00 H new ATOM 0 HA ASP A 30 3.467 -13.873 -10.747 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.830 -12.811 -12.349 1.00 0.00 H new ATOM 0 HB3 ASP A 30 4.557 -13.811 -13.019 1.00 0.00 H new ATOM 515 N ALA A 31 4.745 -15.912 -9.918 1.00 0.00 N ATOM 516 CA ALA A 31 5.345 -17.231 -9.718 1.00 0.00 C ATOM 517 C ALA A 31 5.438 -18.002 -11.035 1.00 0.00 C ATOM 518 O ALA A 31 6.368 -18.781 -11.238 1.00 0.00 O ATOM 519 CB ALA A 31 4.550 -18.033 -8.699 1.00 0.00 C ATOM 0 H ALA A 31 3.905 -15.744 -9.365 1.00 0.00 H new ATOM 0 HA ALA A 31 6.355 -17.081 -9.338 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.013 -19.011 -8.565 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.539 -17.503 -7.747 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.528 -18.161 -9.054 1.00 0.00 H new ATOM 525 N SER A 32 4.470 -17.776 -11.928 1.00 0.00 N ATOM 526 CA SER A 32 4.450 -18.447 -13.227 1.00 0.00 C ATOM 527 C SER A 32 5.563 -17.920 -14.135 1.00 0.00 C ATOM 528 O SER A 32 6.130 -18.669 -14.931 1.00 0.00 O ATOM 529 CB SER A 32 3.089 -18.257 -13.908 1.00 0.00 C ATOM 530 OG SER A 32 2.924 -19.166 -14.985 1.00 0.00 O ATOM 0 H SER A 32 3.692 -17.134 -11.774 1.00 0.00 H new ATOM 0 HA SER A 32 4.618 -19.510 -13.056 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.291 -18.403 -13.180 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.002 -17.234 -14.275 1.00 0.00 H new ATOM 0 HG SER A 32 2.048 -19.025 -15.401 1.00 0.00 H new ATOM 536 N ALA A 33 5.866 -16.627 -14.010 1.00 0.00 N ATOM 537 CA ALA A 33 6.907 -15.995 -14.819 1.00 0.00 C ATOM 538 C ALA A 33 8.302 -16.461 -14.403 1.00 0.00 C ATOM 539 O ALA A 33 9.113 -16.839 -15.249 1.00 0.00 O ATOM 540 CB ALA A 33 6.803 -14.480 -14.718 1.00 0.00 C ATOM 0 H ALA A 33 5.404 -15.997 -13.355 1.00 0.00 H new ATOM 0 HA ALA A 33 6.753 -16.295 -15.856 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.583 -14.020 -15.325 1.00 0.00 H new ATOM 0 HB2 ALA A 33 5.826 -14.158 -15.078 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.925 -14.175 -13.679 1.00 0.00 H new ATOM 546 N LEU A 34 8.579 -16.430 -13.099 1.00 0.00 N ATOM 547 CA LEU A 34 9.881 -16.849 -12.584 1.00 0.00 C ATOM 548 C LEU A 34 9.916 -18.354 -12.330 1.00 0.00 C ATOM 549 O LEU A 34 10.593 -19.097 -13.044 1.00 0.00 O ATOM 550 CB LEU A 34 10.214 -16.104 -11.289 1.00 0.00 C ATOM 551 CG LEU A 34 10.799 -14.704 -11.465 1.00 0.00 C ATOM 552 CD1 LEU A 34 11.057 -14.069 -10.107 1.00 0.00 C ATOM 553 CD2 LEU A 34 12.080 -14.759 -12.287 1.00 0.00 C ATOM 0 H LEU A 34 7.921 -16.120 -12.383 1.00 0.00 H new ATOM 0 HA LEU A 34 10.627 -16.605 -13.341 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.306 -16.026 -10.692 1.00 0.00 H new ATOM 0 HB3 LEU A 34 10.921 -16.705 -10.717 1.00 0.00 H new ATOM 0 HG LEU A 34 10.078 -14.089 -12.003 1.00 0.00 H new ATOM 0 HD11 LEU A 34 11.474 -13.071 -10.245 1.00 0.00 H new ATOM 0 HD12 LEU A 34 10.120 -13.997 -9.555 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.762 -14.683 -9.547 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.482 -13.752 -12.402 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.812 -15.386 -11.778 1.00 0.00 H new ATOM 0 HD23 LEU A 34 11.864 -15.178 -13.270 1.00 0.00 H new ATOM 565 N GLY A 35 9.185 -18.793 -11.306 1.00 0.00 N ATOM 566 CA GLY A 35 9.142 -20.204 -10.962 1.00 0.00 C ATOM 567 C GLY A 35 9.297 -20.449 -9.471 1.00 0.00 C ATOM 568 O GLY A 35 10.078 -21.307 -9.058 1.00 0.00 O ATOM 0 H GLY A 35 8.619 -18.192 -10.706 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.196 -20.627 -11.299 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.934 -20.728 -11.496 1.00 0.00 H new ATOM 572 N LEU A 36 8.550 -19.698 -8.662 1.00 0.00 N ATOM 573 CA LEU A 36 8.609 -19.840 -7.212 1.00 0.00 C ATOM 574 C LEU A 36 7.315 -20.451 -6.678 1.00 0.00 C ATOM 575 O LEU A 36 6.398 -19.736 -6.269 1.00 0.00 O ATOM 576 CB LEU A 36 8.876 -18.484 -6.546 1.00 0.00 C ATOM 577 CG LEU A 36 8.167 -17.282 -7.179 1.00 0.00 C ATOM 578 CD1 LEU A 36 7.735 -16.290 -6.110 1.00 0.00 C ATOM 579 CD2 LEU A 36 9.073 -16.607 -8.200 1.00 0.00 C ATOM 0 H LEU A 36 7.897 -18.985 -8.989 1.00 0.00 H new ATOM 0 HA LEU A 36 9.433 -20.511 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.578 -18.549 -5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.950 -18.298 -6.560 1.00 0.00 H new ATOM 0 HG LEU A 36 7.275 -17.641 -7.693 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.234 -15.444 -6.580 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.050 -16.778 -5.416 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.611 -15.936 -5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.554 -15.755 -8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 36 9.983 -16.263 -7.708 1.00 0.00 H new ATOM 0 HD23 LEU A 36 9.332 -17.319 -8.984 1.00 0.00 H new ATOM 591 N HIS A 37 7.246 -21.783 -6.691 1.00 0.00 N ATOM 592 CA HIS A 37 6.063 -22.494 -6.213 1.00 0.00 C ATOM 593 C HIS A 37 5.940 -22.416 -4.692 1.00 0.00 C ATOM 594 O HIS A 37 4.831 -22.412 -4.161 1.00 0.00 O ATOM 595 CB HIS A 37 6.093 -23.958 -6.659 1.00 0.00 C ATOM 596 CG HIS A 37 4.777 -24.452 -7.181 1.00 0.00 C ATOM 597 ND1 HIS A 37 3.920 -23.669 -7.927 1.00 0.00 N ATOM 598 CD2 HIS A 37 4.172 -25.659 -7.063 1.00 0.00 C ATOM 599 CE1 HIS A 37 2.847 -24.371 -8.244 1.00 0.00 C ATOM 600 NE2 HIS A 37 2.975 -25.581 -7.732 1.00 0.00 N ATOM 0 H HIS A 37 7.995 -22.389 -7.027 1.00 0.00 H new ATOM 0 HA HIS A 37 5.192 -22.007 -6.651 1.00 0.00 H new ATOM 0 HB2 HIS A 37 6.850 -24.078 -7.434 1.00 0.00 H new ATOM 0 HB3 HIS A 37 6.397 -24.580 -5.817 1.00 0.00 H new ATOM 0 HD2 HIS A 37 4.559 -26.521 -6.540 1.00 0.00 H new ATOM 0 HE1 HIS A 37 2.008 -24.016 -8.823 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.295 -26.336 -7.819 1.00 0.00 H new ATOM 609 N ASP A 38 7.078 -22.356 -3.996 1.00 0.00 N ATOM 610 CA ASP A 38 7.081 -22.278 -2.534 1.00 0.00 C ATOM 611 C ASP A 38 6.255 -21.087 -2.044 1.00 0.00 C ATOM 612 O ASP A 38 5.444 -21.222 -1.129 1.00 0.00 O ATOM 613 CB ASP A 38 8.513 -22.171 -2.000 1.00 0.00 C ATOM 614 CG ASP A 38 9.217 -23.513 -1.950 1.00 0.00 C ATOM 615 OD1 ASP A 38 8.931 -24.301 -1.023 1.00 0.00 O ATOM 616 OD2 ASP A 38 10.057 -23.776 -2.836 1.00 0.00 O ATOM 0 H ASP A 38 8.006 -22.360 -4.420 1.00 0.00 H new ATOM 0 HA ASP A 38 6.628 -23.194 -2.154 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.083 -21.489 -2.631 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.493 -21.738 -1.000 1.00 0.00 H new ATOM 621 N TYR A 39 6.464 -19.923 -2.664 1.00 0.00 N ATOM 622 CA TYR A 39 5.733 -18.708 -2.294 1.00 0.00 C ATOM 623 C TYR A 39 4.222 -18.905 -2.431 1.00 0.00 C ATOM 624 O TYR A 39 3.444 -18.364 -1.644 1.00 0.00 O ATOM 625 CB TYR A 39 6.187 -17.532 -3.164 1.00 0.00 C ATOM 626 CG TYR A 39 5.848 -16.173 -2.588 1.00 0.00 C ATOM 627 CD1 TYR A 39 6.513 -15.685 -1.470 1.00 0.00 C ATOM 628 CD2 TYR A 39 4.867 -15.376 -3.166 1.00 0.00 C ATOM 629 CE1 TYR A 39 6.211 -14.443 -0.944 1.00 0.00 C ATOM 630 CE2 TYR A 39 4.560 -14.133 -2.646 1.00 0.00 C ATOM 631 CZ TYR A 39 5.234 -13.672 -1.536 1.00 0.00 C ATOM 632 OH TYR A 39 4.931 -12.434 -1.016 1.00 0.00 O ATOM 0 H TYR A 39 7.133 -19.796 -3.424 1.00 0.00 H new ATOM 0 HA TYR A 39 5.954 -18.490 -1.249 1.00 0.00 H new ATOM 0 HB2 TYR A 39 7.266 -17.595 -3.308 1.00 0.00 H new ATOM 0 HB3 TYR A 39 5.728 -17.623 -4.148 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.279 -16.287 -1.004 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.336 -15.734 -4.036 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.738 -14.079 -0.074 1.00 0.00 H new ATOM 0 HE2 TYR A 39 3.795 -13.526 -3.107 1.00 0.00 H new ATOM 0 HH TYR A 39 4.222 -12.020 -1.550 1.00 0.00 H new ATOM 642 N HIS A 40 3.813 -19.684 -3.434 1.00 0.00 N ATOM 643 CA HIS A 40 2.396 -19.954 -3.670 1.00 0.00 C ATOM 644 C HIS A 40 1.909 -21.143 -2.838 1.00 0.00 C ATOM 645 O HIS A 40 0.733 -21.218 -2.485 1.00 0.00 O ATOM 646 CB HIS A 40 2.145 -20.220 -5.157 1.00 0.00 C ATOM 647 CG HIS A 40 0.819 -19.718 -5.645 1.00 0.00 C ATOM 648 ND1 HIS A 40 -0.093 -18.901 -5.062 1.00 0.00 N flip ATOM 649 CD2 HIS A 40 0.296 -20.052 -6.877 1.00 0.00 C flip ATOM 650 CE1 HIS A 40 -1.136 -18.759 -5.944 1.00 0.00 C flip ATOM 651 NE2 HIS A 40 -0.876 -19.462 -7.031 1.00 0.00 N flip ATOM 0 H HIS A 40 4.443 -20.138 -4.095 1.00 0.00 H new ATOM 0 HA HIS A 40 1.834 -19.072 -3.363 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.938 -19.751 -5.740 1.00 0.00 H new ATOM 0 HB3 HIS A 40 2.207 -21.293 -5.340 1.00 0.00 H new ATOM 0 HD2 HIS A 40 0.771 -20.696 -7.603 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -2.024 -18.168 -5.776 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -1.478 -19.537 -7.851 1.00 0.00 H new ATOM 660 N ASP A 41 2.813 -22.074 -2.532 1.00 0.00 N ATOM 661 CA ASP A 41 2.462 -23.254 -1.745 1.00 0.00 C ATOM 662 C ASP A 41 2.259 -22.893 -0.274 1.00 0.00 C ATOM 663 O ASP A 41 1.349 -23.408 0.376 1.00 0.00 O ATOM 664 CB ASP A 41 3.545 -24.332 -1.871 1.00 0.00 C ATOM 665 CG ASP A 41 2.959 -25.724 -2.030 1.00 0.00 C ATOM 666 OD1 ASP A 41 2.099 -26.105 -1.209 1.00 0.00 O ATOM 667 OD2 ASP A 41 3.361 -26.431 -2.978 1.00 0.00 O ATOM 0 H ASP A 41 3.792 -22.033 -2.817 1.00 0.00 H new ATOM 0 HA ASP A 41 1.524 -23.647 -2.139 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.180 -24.108 -2.728 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.183 -24.308 -0.987 1.00 0.00 H new ATOM 672 N ILE A 42 3.112 -22.010 0.245 1.00 0.00 N ATOM 673 CA ILE A 42 3.025 -21.588 1.642 1.00 0.00 C ATOM 674 C ILE A 42 1.919 -20.552 1.850 1.00 0.00 C ATOM 675 O ILE A 42 0.984 -20.782 2.618 1.00 0.00 O ATOM 676 CB ILE A 42 4.361 -20.999 2.151 1.00 0.00 C ATOM 677 CG1 ILE A 42 5.522 -21.951 1.850 1.00 0.00 C ATOM 678 CG2 ILE A 42 4.282 -20.714 3.647 1.00 0.00 C ATOM 679 CD1 ILE A 42 6.865 -21.257 1.780 1.00 0.00 C ATOM 0 H ILE A 42 3.870 -21.574 -0.280 1.00 0.00 H new ATOM 0 HA ILE A 42 2.791 -22.486 2.214 1.00 0.00 H new ATOM 0 HB ILE A 42 4.542 -20.060 1.627 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.559 -22.722 2.620 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.332 -22.456 0.903 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.230 -20.300 3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.483 -19.998 3.839 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.076 -21.640 4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.642 -21.990 1.564 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.845 -20.505 0.991 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.076 -20.775 2.735 1.00 0.00 H new ATOM 691 N ILE A 43 2.037 -19.410 1.174 1.00 0.00 N ATOM 692 CA ILE A 43 1.049 -18.339 1.301 1.00 0.00 C ATOM 693 C ILE A 43 -0.220 -18.651 0.509 1.00 0.00 C ATOM 694 O ILE A 43 -1.317 -18.670 1.070 1.00 0.00 O ATOM 695 CB ILE A 43 1.615 -16.977 0.837 1.00 0.00 C ATOM 696 CG1 ILE A 43 2.954 -16.686 1.520 1.00 0.00 C ATOM 697 CG2 ILE A 43 0.619 -15.860 1.127 1.00 0.00 C ATOM 698 CD1 ILE A 43 3.785 -15.645 0.803 1.00 0.00 C ATOM 0 H ILE A 43 2.804 -19.203 0.535 1.00 0.00 H new ATOM 0 HA ILE A 43 0.802 -18.274 2.361 1.00 0.00 H new ATOM 0 HB ILE A 43 1.781 -17.025 -0.239 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.767 -16.350 2.540 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.526 -17.611 1.589 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.033 -14.908 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.312 -16.056 0.596 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.423 -15.816 2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.719 -15.490 1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.003 -15.987 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.232 -14.707 0.757 1.00 0.00 H new ATOM 710 N LYS A 44 -0.062 -18.885 -0.798 1.00 0.00 N ATOM 711 CA LYS A 44 -1.185 -19.191 -1.691 1.00 0.00 C ATOM 712 C LYS A 44 -1.962 -17.933 -2.102 1.00 0.00 C ATOM 713 O LYS A 44 -2.594 -17.916 -3.160 1.00 0.00 O ATOM 714 CB LYS A 44 -2.128 -20.207 -1.046 1.00 0.00 C ATOM 715 CG LYS A 44 -2.907 -21.038 -2.055 1.00 0.00 C ATOM 716 CD LYS A 44 -4.000 -21.857 -1.387 1.00 0.00 C ATOM 717 CE LYS A 44 -3.573 -23.304 -1.189 1.00 0.00 C ATOM 718 NZ LYS A 44 -4.482 -24.032 -0.261 1.00 0.00 N ATOM 0 H LYS A 44 0.844 -18.868 -1.265 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.760 -19.623 -2.597 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.549 -20.874 -0.408 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.831 -19.680 -0.401 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.351 -20.380 -2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.224 -21.704 -2.582 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.249 -21.415 -0.422 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.904 -21.824 -1.995 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.556 -23.812 -2.153 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.556 -23.332 -0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.155 -25.014 -0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.479 -23.563 0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.448 -24.029 -0.647 1.00 0.00 H new ATOM 732 N HIS A 45 -1.912 -16.884 -1.274 1.00 0.00 N ATOM 733 CA HIS A 45 -2.612 -15.635 -1.572 1.00 0.00 C ATOM 734 C HIS A 45 -1.625 -14.464 -1.670 1.00 0.00 C ATOM 735 O HIS A 45 -1.686 -13.521 -0.877 1.00 0.00 O ATOM 736 CB HIS A 45 -3.664 -15.347 -0.496 1.00 0.00 C ATOM 737 CG HIS A 45 -4.811 -16.312 -0.496 1.00 0.00 C ATOM 738 ND1 HIS A 45 -6.085 -15.967 -0.896 1.00 0.00 N ATOM 739 CD2 HIS A 45 -4.873 -17.616 -0.135 1.00 0.00 C ATOM 740 CE1 HIS A 45 -6.880 -17.016 -0.779 1.00 0.00 C ATOM 741 NE2 HIS A 45 -6.169 -18.029 -0.320 1.00 0.00 N ATOM 0 H HIS A 45 -1.395 -16.877 -0.395 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.110 -15.746 -2.535 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.184 -15.368 0.482 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.050 -14.338 -0.640 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.055 -18.219 0.230 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.933 -17.040 -1.018 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.525 -18.966 -0.133 1.00 0.00 H new ATOM 750 N PRO A 46 -0.698 -14.512 -2.647 1.00 0.00 N ATOM 751 CA PRO A 46 0.305 -13.455 -2.844 1.00 0.00 C ATOM 752 C PRO A 46 -0.311 -12.146 -3.339 1.00 0.00 C ATOM 753 O PRO A 46 -1.095 -12.138 -4.290 1.00 0.00 O ATOM 754 CB PRO A 46 1.242 -14.048 -3.902 1.00 0.00 C ATOM 755 CG PRO A 46 0.406 -15.033 -4.641 1.00 0.00 C ATOM 756 CD PRO A 46 -0.553 -15.599 -3.633 1.00 0.00 C ATOM 0 HA PRO A 46 0.806 -13.191 -1.913 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.625 -13.275 -4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.105 -14.528 -3.441 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.128 -14.554 -5.462 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.023 -15.819 -5.077 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.509 -15.857 -4.089 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -0.163 -16.508 -3.174 1.00 0.00 H new ATOM 764 N MET A 47 0.053 -11.040 -2.686 1.00 0.00 N ATOM 765 CA MET A 47 -0.460 -9.721 -3.054 1.00 0.00 C ATOM 766 C MET A 47 0.677 -8.711 -3.208 1.00 0.00 C ATOM 767 O MET A 47 1.739 -8.860 -2.599 1.00 0.00 O ATOM 768 CB MET A 47 -1.457 -9.222 -2.002 1.00 0.00 C ATOM 769 CG MET A 47 -2.914 -9.400 -2.406 1.00 0.00 C ATOM 770 SD MET A 47 -3.290 -8.666 -4.011 1.00 0.00 S ATOM 771 CE MET A 47 -2.939 -6.938 -3.694 1.00 0.00 C ATOM 0 H MET A 47 0.702 -11.033 -1.899 1.00 0.00 H new ATOM 0 HA MET A 47 -0.969 -9.818 -4.013 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.281 -9.753 -1.067 1.00 0.00 H new ATOM 0 HB3 MET A 47 -1.269 -8.166 -1.809 1.00 0.00 H new ATOM 0 HG2 MET A 47 -3.151 -10.464 -2.434 1.00 0.00 H new ATOM 0 HG3 MET A 47 -3.554 -8.950 -1.647 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.856 -6.357 -3.789 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.542 -6.826 -2.685 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.205 -6.578 -4.414 1.00 0.00 H new ATOM 781 N ASP A 48 0.449 -7.685 -4.033 1.00 0.00 N ATOM 782 CA ASP A 48 1.454 -6.649 -4.277 1.00 0.00 C ATOM 783 C ASP A 48 0.801 -5.286 -4.520 1.00 0.00 C ATOM 784 O ASP A 48 -0.389 -5.202 -4.831 1.00 0.00 O ATOM 785 CB ASP A 48 2.317 -7.031 -5.481 1.00 0.00 C ATOM 786 CG ASP A 48 1.483 -7.357 -6.704 1.00 0.00 C ATOM 787 OD1 ASP A 48 0.983 -8.497 -6.794 1.00 0.00 O ATOM 788 OD2 ASP A 48 1.323 -6.470 -7.566 1.00 0.00 O ATOM 0 H ASP A 48 -0.424 -7.551 -4.543 1.00 0.00 H new ATOM 0 HA ASP A 48 2.080 -6.573 -3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 48 2.995 -6.210 -5.714 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.934 -7.892 -5.225 1.00 0.00 H new ATOM 793 N LEU A 49 1.592 -4.219 -4.382 1.00 0.00 N ATOM 794 CA LEU A 49 1.099 -2.855 -4.591 1.00 0.00 C ATOM 795 C LEU A 49 0.728 -2.605 -6.056 1.00 0.00 C ATOM 796 O LEU A 49 -0.179 -1.822 -6.343 1.00 0.00 O ATOM 797 CB LEU A 49 2.140 -1.827 -4.139 1.00 0.00 C ATOM 798 CG LEU A 49 1.568 -0.575 -3.465 1.00 0.00 C ATOM 799 CD1 LEU A 49 2.477 -0.113 -2.335 1.00 0.00 C ATOM 800 CD2 LEU A 49 1.370 0.540 -4.485 1.00 0.00 C ATOM 0 H LEU A 49 2.578 -4.273 -4.126 1.00 0.00 H new ATOM 0 HA LEU A 49 0.198 -2.743 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.829 -2.311 -3.446 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.724 -1.519 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 49 0.596 -0.827 -3.041 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.054 0.777 -1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.565 -0.905 -1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.464 0.121 -2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.963 1.420 -3.987 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.328 0.791 -4.940 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.677 0.207 -5.258 1.00 0.00 H new ATOM 812 N SER A 50 1.435 -3.266 -6.981 1.00 0.00 N ATOM 813 CA SER A 50 1.167 -3.099 -8.412 1.00 0.00 C ATOM 814 C SER A 50 -0.282 -3.454 -8.738 1.00 0.00 C ATOM 815 O SER A 50 -0.935 -2.766 -9.524 1.00 0.00 O ATOM 816 CB SER A 50 2.112 -3.971 -9.246 1.00 0.00 C ATOM 817 OG SER A 50 3.139 -3.194 -9.836 1.00 0.00 O ATOM 0 H SER A 50 2.191 -3.916 -6.765 1.00 0.00 H new ATOM 0 HA SER A 50 1.338 -2.052 -8.662 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.553 -4.742 -8.614 1.00 0.00 H new ATOM 0 HB3 SER A 50 1.547 -4.483 -10.025 1.00 0.00 H new ATOM 0 HG SER A 50 3.948 -3.250 -9.286 1.00 0.00 H new ATOM 823 N THR A 51 -0.782 -4.525 -8.121 1.00 0.00 N ATOM 824 CA THR A 51 -2.157 -4.963 -8.340 1.00 0.00 C ATOM 825 C THR A 51 -3.143 -3.926 -7.801 1.00 0.00 C ATOM 826 O THR A 51 -4.159 -3.638 -8.435 1.00 0.00 O ATOM 827 CB THR A 51 -2.402 -6.323 -7.675 1.00 0.00 C ATOM 828 OG1 THR A 51 -1.451 -7.280 -8.111 1.00 0.00 O ATOM 829 CG2 THR A 51 -3.777 -6.891 -7.953 1.00 0.00 C ATOM 0 H THR A 51 -0.255 -5.103 -7.467 1.00 0.00 H new ATOM 0 HA THR A 51 -2.315 -5.068 -9.413 1.00 0.00 H new ATOM 0 HB THR A 51 -2.312 -6.134 -6.605 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.626 -8.139 -7.672 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.881 -7.854 -7.452 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.537 -6.204 -7.580 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.905 -7.025 -9.027 1.00 0.00 H new ATOM 837 N VAL A 52 -2.830 -3.362 -6.633 1.00 0.00 N ATOM 838 CA VAL A 52 -3.685 -2.349 -6.016 1.00 0.00 C ATOM 839 C VAL A 52 -3.815 -1.119 -6.916 1.00 0.00 C ATOM 840 O VAL A 52 -4.887 -0.516 -7.000 1.00 0.00 O ATOM 841 CB VAL A 52 -3.147 -1.906 -4.637 1.00 0.00 C ATOM 842 CG1 VAL A 52 -4.158 -1.011 -3.935 1.00 0.00 C ATOM 843 CG2 VAL A 52 -2.802 -3.113 -3.774 1.00 0.00 C ATOM 0 H VAL A 52 -1.992 -3.590 -6.097 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.664 -2.809 -5.880 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.232 -1.335 -4.794 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.764 -0.708 -2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.345 -0.126 -4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.091 -1.557 -3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.426 -2.774 -2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.695 -3.719 -3.623 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.038 -3.710 -4.272 1.00 0.00 H new ATOM 853 N LYS A 53 -2.721 -0.755 -7.593 1.00 0.00 N ATOM 854 CA LYS A 53 -2.721 0.400 -8.493 1.00 0.00 C ATOM 855 C LYS A 53 -3.771 0.232 -9.591 1.00 0.00 C ATOM 856 O LYS A 53 -4.508 1.167 -9.903 1.00 0.00 O ATOM 857 CB LYS A 53 -1.334 0.598 -9.117 1.00 0.00 C ATOM 858 CG LYS A 53 -1.245 1.801 -10.046 1.00 0.00 C ATOM 859 CD LYS A 53 -1.574 1.427 -11.485 1.00 0.00 C ATOM 860 CE LYS A 53 -1.151 2.517 -12.459 1.00 0.00 C ATOM 861 NZ LYS A 53 -0.845 1.974 -13.813 1.00 0.00 N ATOM 0 H LYS A 53 -1.827 -1.243 -7.534 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.971 1.284 -7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.600 0.711 -8.319 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.064 -0.300 -9.673 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.932 2.576 -9.705 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.241 2.223 -10.000 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.073 0.494 -11.742 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.645 1.250 -11.579 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.945 3.259 -12.538 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.272 3.030 -12.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.562 2.751 -14.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.070 1.284 -13.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.690 1.507 -14.199 1.00 0.00 H new ATOM 875 N ARG A 54 -3.839 -0.968 -10.169 1.00 0.00 N ATOM 876 CA ARG A 54 -4.808 -1.254 -11.225 1.00 0.00 C ATOM 877 C ARG A 54 -6.236 -1.211 -10.677 1.00 0.00 C ATOM 878 O ARG A 54 -7.162 -0.795 -11.374 1.00 0.00 O ATOM 879 CB ARG A 54 -4.529 -2.624 -11.858 1.00 0.00 C ATOM 880 CG ARG A 54 -4.047 -2.545 -13.300 1.00 0.00 C ATOM 881 CD ARG A 54 -5.172 -2.826 -14.285 1.00 0.00 C ATOM 882 NE ARG A 54 -4.721 -3.631 -15.421 1.00 0.00 N ATOM 883 CZ ARG A 54 -4.048 -3.140 -16.466 1.00 0.00 C ATOM 884 NH1 ARG A 54 -3.744 -1.845 -16.527 1.00 0.00 N ATOM 885 NH2 ARG A 54 -3.676 -3.948 -17.453 1.00 0.00 N ATOM 0 H ARG A 54 -3.237 -1.754 -9.924 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.707 -0.486 -11.992 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.779 -3.144 -11.262 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -5.438 -3.224 -11.820 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.634 -1.555 -13.492 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.241 -3.262 -13.454 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.981 -3.345 -13.772 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.579 -1.882 -14.649 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.933 -4.629 -15.415 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.025 -1.219 -15.772 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.230 -1.479 -17.328 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.904 -4.941 -17.412 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.162 -3.575 -18.251 1.00 0.00 H new ATOM 899 N LYS A 55 -6.405 -1.643 -9.424 1.00 0.00 N ATOM 900 CA LYS A 55 -7.720 -1.652 -8.785 1.00 0.00 C ATOM 901 C LYS A 55 -8.218 -0.230 -8.523 1.00 0.00 C ATOM 902 O LYS A 55 -9.372 0.088 -8.810 1.00 0.00 O ATOM 903 CB LYS A 55 -7.675 -2.440 -7.472 1.00 0.00 C ATOM 904 CG LYS A 55 -7.651 -3.950 -7.661 1.00 0.00 C ATOM 905 CD LYS A 55 -6.790 -4.631 -6.610 1.00 0.00 C ATOM 906 CE LYS A 55 -7.142 -6.103 -6.468 1.00 0.00 C ATOM 907 NZ LYS A 55 -6.126 -6.845 -5.668 1.00 0.00 N ATOM 0 H LYS A 55 -5.648 -1.990 -8.835 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.416 -2.139 -9.468 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.791 -2.140 -6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -8.543 -2.173 -6.869 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -8.667 -4.340 -7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.270 -4.187 -8.654 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.739 -4.532 -6.880 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.921 -4.130 -5.651 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.118 -6.198 -5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -7.224 -6.553 -7.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.874 -7.727 -6.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.276 -6.257 -5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.518 -7.070 -4.731 1.00 0.00 H new ATOM 921 N MET A 56 -7.348 0.624 -7.986 1.00 0.00 N ATOM 922 CA MET A 56 -7.717 2.012 -7.700 1.00 0.00 C ATOM 923 C MET A 56 -7.980 2.785 -8.993 1.00 0.00 C ATOM 924 O MET A 56 -8.838 3.667 -9.033 1.00 0.00 O ATOM 925 CB MET A 56 -6.625 2.705 -6.882 1.00 0.00 C ATOM 926 CG MET A 56 -5.262 2.719 -7.557 1.00 0.00 C ATOM 927 SD MET A 56 -4.098 3.840 -6.754 1.00 0.00 S ATOM 928 CE MET A 56 -4.993 5.390 -6.835 1.00 0.00 C ATOM 0 H MET A 56 -6.388 0.382 -7.741 1.00 0.00 H new ATOM 0 HA MET A 56 -8.636 2.000 -7.114 1.00 0.00 H new ATOM 0 HB2 MET A 56 -6.931 3.732 -6.683 1.00 0.00 H new ATOM 0 HB3 MET A 56 -6.536 2.206 -5.917 1.00 0.00 H new ATOM 0 HG2 MET A 56 -4.849 1.710 -7.554 1.00 0.00 H new ATOM 0 HG3 MET A 56 -5.381 3.012 -8.600 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.285 6.216 -6.895 1.00 0.00 H new ATOM 0 HE2 MET A 56 -5.632 5.395 -7.718 1.00 0.00 H new ATOM 0 HE3 MET A 56 -5.607 5.503 -5.942 1.00 0.00 H new ATOM 938 N GLU A 57 -7.238 2.443 -10.047 1.00 0.00 N ATOM 939 CA GLU A 57 -7.390 3.096 -11.348 1.00 0.00 C ATOM 940 C GLU A 57 -8.723 2.725 -12.002 1.00 0.00 C ATOM 941 O GLU A 57 -9.268 3.494 -12.795 1.00 0.00 O ATOM 942 CB GLU A 57 -6.234 2.717 -12.278 1.00 0.00 C ATOM 943 CG GLU A 57 -5.039 3.648 -12.163 1.00 0.00 C ATOM 944 CD GLU A 57 -4.999 4.693 -13.262 1.00 0.00 C ATOM 945 OE1 GLU A 57 -6.024 5.376 -13.471 1.00 0.00 O ATOM 946 OE2 GLU A 57 -3.941 4.829 -13.913 1.00 0.00 O ATOM 0 H GLU A 57 -6.524 1.715 -10.025 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.376 4.173 -11.180 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.915 1.699 -12.054 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.590 2.720 -13.308 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.065 4.147 -11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.122 3.060 -12.194 1.00 0.00 H new ATOM 953 N ASN A 58 -9.247 1.547 -11.659 1.00 0.00 N ATOM 954 CA ASN A 58 -10.515 1.080 -12.200 1.00 0.00 C ATOM 955 C ASN A 58 -11.653 1.307 -11.199 1.00 0.00 C ATOM 956 O ASN A 58 -12.804 0.967 -11.474 1.00 0.00 O ATOM 957 CB ASN A 58 -10.414 -0.408 -12.555 1.00 0.00 C ATOM 958 CG ASN A 58 -10.520 -0.654 -14.048 1.00 0.00 C ATOM 959 OD1 ASN A 58 -11.515 -1.193 -14.530 1.00 0.00 O ATOM 960 ND2 ASN A 58 -9.491 -0.258 -14.791 1.00 0.00 N ATOM 0 H ASN A 58 -8.807 0.899 -11.005 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.736 1.650 -13.102 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.465 -0.802 -12.191 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.205 -0.956 -12.042 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -9.508 -0.397 -15.801 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -8.685 0.185 -14.351 1.00 0.00 H new ATOM 967 N ARG A 59 -11.323 1.879 -10.031 1.00 0.00 N ATOM 968 CA ARG A 59 -12.308 2.143 -8.992 1.00 0.00 C ATOM 969 C ARG A 59 -12.852 0.837 -8.407 1.00 0.00 C ATOM 970 O ARG A 59 -14.024 0.749 -8.028 1.00 0.00 O ATOM 971 CB ARG A 59 -13.448 2.994 -9.548 1.00 0.00 C ATOM 972 CG ARG A 59 -14.239 3.719 -8.473 1.00 0.00 C ATOM 973 CD ARG A 59 -15.406 4.496 -9.062 1.00 0.00 C ATOM 974 NE ARG A 59 -16.295 5.023 -8.027 1.00 0.00 N ATOM 975 CZ ARG A 59 -17.150 4.275 -7.326 1.00 0.00 C ATOM 976 NH1 ARG A 59 -17.227 2.961 -7.532 1.00 0.00 N ATOM 977 NH2 ARG A 59 -17.928 4.844 -6.413 1.00 0.00 N ATOM 0 H ARG A 59 -10.374 2.166 -9.790 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.817 2.694 -8.189 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -13.039 3.726 -10.244 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -14.124 2.356 -10.118 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.612 2.997 -7.746 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.581 4.402 -7.935 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -15.025 5.320 -9.665 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.973 3.847 -9.730 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.259 6.023 -7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.630 2.518 -8.230 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -17.883 2.398 -6.991 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -17.871 5.849 -6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.583 4.276 -5.875 1.00 0.00 H new ATOM 991 N ASP A 60 -11.985 -0.173 -8.327 1.00 0.00 N ATOM 992 CA ASP A 60 -12.359 -1.474 -7.782 1.00 0.00 C ATOM 993 C ASP A 60 -12.574 -1.395 -6.271 1.00 0.00 C ATOM 994 O ASP A 60 -13.350 -2.167 -5.706 1.00 0.00 O ATOM 995 CB ASP A 60 -11.282 -2.511 -8.104 1.00 0.00 C ATOM 996 CG ASP A 60 -11.745 -3.938 -7.858 1.00 0.00 C ATOM 997 OD1 ASP A 60 -12.957 -4.207 -8.000 1.00 0.00 O ATOM 998 OD2 ASP A 60 -10.893 -4.786 -7.525 1.00 0.00 O ATOM 0 H ASP A 60 -11.015 -0.112 -8.635 1.00 0.00 H new ATOM 0 HA ASP A 60 -13.298 -1.778 -8.245 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.983 -2.406 -9.147 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.399 -2.311 -7.497 1.00 0.00 H new ATOM 1003 N TYR A 61 -11.894 -0.448 -5.625 1.00 0.00 N ATOM 1004 CA TYR A 61 -12.021 -0.259 -4.194 1.00 0.00 C ATOM 1005 C TYR A 61 -13.031 0.838 -3.905 1.00 0.00 C ATOM 1006 O TYR A 61 -12.672 2.012 -3.797 1.00 0.00 O ATOM 1007 CB TYR A 61 -10.670 0.099 -3.574 1.00 0.00 C ATOM 1008 CG TYR A 61 -9.714 -1.068 -3.483 1.00 0.00 C ATOM 1009 CD1 TYR A 61 -9.918 -2.087 -2.562 1.00 0.00 C ATOM 1010 CD2 TYR A 61 -8.609 -1.148 -4.318 1.00 0.00 C ATOM 1011 CE1 TYR A 61 -9.046 -3.155 -2.477 1.00 0.00 C ATOM 1012 CE2 TYR A 61 -7.733 -2.211 -4.240 1.00 0.00 C ATOM 1013 CZ TYR A 61 -7.955 -3.211 -3.318 1.00 0.00 C ATOM 1014 OH TYR A 61 -7.081 -4.271 -3.240 1.00 0.00 O ATOM 0 H TYR A 61 -11.249 0.199 -6.079 1.00 0.00 H new ATOM 0 HA TYR A 61 -12.367 -1.193 -3.751 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -10.208 0.890 -4.164 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.834 0.501 -2.574 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.772 -2.044 -1.902 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -8.432 -0.365 -5.041 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.218 -3.941 -1.756 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.878 -2.259 -4.898 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.563 -5.071 -2.942 1.00 0.00 H new ATOM 1024 N ARG A 62 -14.296 0.450 -3.772 1.00 0.00 N ATOM 1025 CA ARG A 62 -15.359 1.408 -3.482 1.00 0.00 C ATOM 1026 C ARG A 62 -15.477 1.662 -1.976 1.00 0.00 C ATOM 1027 O ARG A 62 -16.507 2.145 -1.495 1.00 0.00 O ATOM 1028 CB ARG A 62 -16.697 0.915 -4.044 1.00 0.00 C ATOM 1029 CG ARG A 62 -17.064 -0.501 -3.624 1.00 0.00 C ATOM 1030 CD ARG A 62 -18.506 -0.826 -3.974 1.00 0.00 C ATOM 1031 NE ARG A 62 -19.410 -0.580 -2.850 1.00 0.00 N ATOM 1032 CZ ARG A 62 -20.741 -0.533 -2.955 1.00 0.00 C ATOM 1033 NH1 ARG A 62 -21.336 -0.720 -4.130 1.00 0.00 N ATOM 1034 NH2 ARG A 62 -21.480 -0.300 -1.877 1.00 0.00 N ATOM 0 H ARG A 62 -14.610 -0.517 -3.860 1.00 0.00 H new ATOM 0 HA ARG A 62 -15.102 2.350 -3.967 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -17.486 1.594 -3.722 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -16.661 0.962 -5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -16.400 -1.212 -4.115 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -16.914 -0.614 -2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -18.817 -0.224 -4.828 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -18.579 -1.871 -4.277 1.00 0.00 H new ATOM 0 HE ARG A 62 -18.998 -0.435 -1.928 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -20.775 -0.901 -4.962 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -22.353 -0.682 -4.198 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -21.031 -0.158 -0.972 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -22.496 -0.263 -1.954 1.00 0.00 H new ATOM 1048 N ASP A 63 -14.417 1.337 -1.234 1.00 0.00 N ATOM 1049 CA ASP A 63 -14.407 1.534 0.211 1.00 0.00 C ATOM 1050 C ASP A 63 -12.987 1.764 0.724 1.00 0.00 C ATOM 1051 O ASP A 63 -12.015 1.304 0.122 1.00 0.00 O ATOM 1052 CB ASP A 63 -15.033 0.327 0.915 1.00 0.00 C ATOM 1053 CG ASP A 63 -16.549 0.365 0.890 1.00 0.00 C ATOM 1054 OD1 ASP A 63 -17.131 1.266 1.528 1.00 0.00 O ATOM 1055 OD2 ASP A 63 -17.154 -0.505 0.229 1.00 0.00 O ATOM 0 H ASP A 63 -13.558 0.937 -1.611 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.998 2.422 0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -14.687 -0.589 0.436 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -14.690 0.295 1.949 1.00 0.00 H new ATOM 1060 N ALA A 64 -12.878 2.472 1.847 1.00 0.00 N ATOM 1061 CA ALA A 64 -11.580 2.760 2.453 1.00 0.00 C ATOM 1062 C ALA A 64 -11.089 1.570 3.271 1.00 0.00 C ATOM 1063 O ALA A 64 -9.904 1.233 3.244 1.00 0.00 O ATOM 1064 CB ALA A 64 -11.667 4.004 3.324 1.00 0.00 C ATOM 0 H ALA A 64 -13.674 2.857 2.356 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.862 2.944 1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -10.692 4.206 3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.971 4.855 2.714 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.400 3.844 4.114 1.00 0.00 H new ATOM 1070 N GLN A 65 -12.013 0.932 3.990 1.00 0.00 N ATOM 1071 CA GLN A 65 -11.685 -0.229 4.811 1.00 0.00 C ATOM 1072 C GLN A 65 -11.114 -1.362 3.956 1.00 0.00 C ATOM 1073 O GLN A 65 -10.203 -2.071 4.385 1.00 0.00 O ATOM 1074 CB GLN A 65 -12.925 -0.718 5.568 1.00 0.00 C ATOM 1075 CG GLN A 65 -13.370 0.216 6.683 1.00 0.00 C ATOM 1076 CD GLN A 65 -12.937 -0.269 8.053 1.00 0.00 C ATOM 1077 OE1 GLN A 65 -13.596 -1.112 8.661 1.00 0.00 O ATOM 1078 NE2 GLN A 65 -11.823 0.260 8.547 1.00 0.00 N ATOM 0 H GLN A 65 -12.996 1.202 4.019 1.00 0.00 H new ATOM 0 HA GLN A 65 -10.926 0.074 5.532 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -13.745 -0.842 4.861 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -12.717 -1.701 5.991 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.959 1.210 6.506 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -14.456 0.312 6.661 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.307 0.956 8.009 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.484 -0.030 9.464 1.00 0.00 H new ATOM 1087 N GLU A 66 -11.651 -1.529 2.744 1.00 0.00 N ATOM 1088 CA GLU A 66 -11.183 -2.579 1.839 1.00 0.00 C ATOM 1089 C GLU A 66 -9.753 -2.311 1.369 1.00 0.00 C ATOM 1090 O GLU A 66 -8.932 -3.226 1.309 1.00 0.00 O ATOM 1091 CB GLU A 66 -12.115 -2.701 0.630 1.00 0.00 C ATOM 1092 CG GLU A 66 -13.123 -3.830 0.755 1.00 0.00 C ATOM 1093 CD GLU A 66 -12.658 -5.105 0.076 1.00 0.00 C ATOM 1094 OE1 GLU A 66 -11.573 -5.608 0.436 1.00 0.00 O ATOM 1095 OE2 GLU A 66 -13.380 -5.600 -0.814 1.00 0.00 O ATOM 0 H GLU A 66 -12.406 -0.954 2.370 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.191 -3.519 2.392 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.649 -1.760 0.497 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.516 -2.857 -0.267 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.308 -4.031 1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.071 -3.516 0.319 1.00 0.00 H new ATOM 1102 N PHE A 67 -9.459 -1.051 1.044 1.00 0.00 N ATOM 1103 CA PHE A 67 -8.123 -0.665 0.587 1.00 0.00 C ATOM 1104 C PHE A 67 -7.081 -0.905 1.680 1.00 0.00 C ATOM 1105 O PHE A 67 -5.976 -1.370 1.401 1.00 0.00 O ATOM 1106 CB PHE A 67 -8.112 0.809 0.170 1.00 0.00 C ATOM 1107 CG PHE A 67 -6.978 1.174 -0.752 1.00 0.00 C ATOM 1108 CD1 PHE A 67 -5.713 1.439 -0.248 1.00 0.00 C ATOM 1109 CD2 PHE A 67 -7.181 1.260 -2.120 1.00 0.00 C ATOM 1110 CE1 PHE A 67 -4.674 1.782 -1.093 1.00 0.00 C ATOM 1111 CE2 PHE A 67 -6.145 1.601 -2.969 1.00 0.00 C ATOM 1112 CZ PHE A 67 -4.891 1.863 -2.455 1.00 0.00 C ATOM 0 H PHE A 67 -10.127 -0.281 1.089 1.00 0.00 H new ATOM 0 HA PHE A 67 -7.867 -1.283 -0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -9.056 1.045 -0.321 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -8.054 1.429 1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.538 1.377 0.816 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.160 1.058 -2.528 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.694 1.986 -0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -6.316 1.662 -4.034 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.081 2.131 -3.117 1.00 0.00 H new ATOM 1122 N ALA A 68 -7.445 -0.585 2.924 1.00 0.00 N ATOM 1123 CA ALA A 68 -6.543 -0.767 4.062 1.00 0.00 C ATOM 1124 C ALA A 68 -6.306 -2.247 4.348 1.00 0.00 C ATOM 1125 O ALA A 68 -5.181 -2.656 4.637 1.00 0.00 O ATOM 1126 CB ALA A 68 -7.094 -0.074 5.298 1.00 0.00 C ATOM 0 H ALA A 68 -8.357 -0.199 3.168 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.586 -0.314 3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.409 -0.221 6.133 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.201 0.992 5.100 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.067 -0.496 5.548 1.00 0.00 H new ATOM 1132 N ALA A 69 -7.372 -3.047 4.260 1.00 0.00 N ATOM 1133 CA ALA A 69 -7.276 -4.485 4.506 1.00 0.00 C ATOM 1134 C ALA A 69 -6.239 -5.128 3.587 1.00 0.00 C ATOM 1135 O ALA A 69 -5.509 -6.031 3.999 1.00 0.00 O ATOM 1136 CB ALA A 69 -8.634 -5.154 4.320 1.00 0.00 C ATOM 0 H ALA A 69 -8.309 -2.722 4.021 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.955 -4.628 5.538 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.541 -6.224 4.508 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.350 -4.724 5.020 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.982 -4.993 3.300 1.00 0.00 H new ATOM 1142 N ASP A 70 -6.179 -4.654 2.342 1.00 0.00 N ATOM 1143 CA ASP A 70 -5.229 -5.177 1.361 1.00 0.00 C ATOM 1144 C ASP A 70 -3.785 -4.888 1.775 1.00 0.00 C ATOM 1145 O ASP A 70 -2.907 -5.740 1.626 1.00 0.00 O ATOM 1146 CB ASP A 70 -5.502 -4.561 -0.012 1.00 0.00 C ATOM 1147 CG ASP A 70 -4.771 -5.282 -1.127 1.00 0.00 C ATOM 1148 OD1 ASP A 70 -3.623 -4.894 -1.430 1.00 0.00 O ATOM 1149 OD2 ASP A 70 -5.343 -6.237 -1.693 1.00 0.00 O ATOM 0 H ASP A 70 -6.778 -3.908 1.989 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.361 -6.258 1.311 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.574 -4.584 -0.210 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.202 -3.513 -0.003 1.00 0.00 H new ATOM 1154 N VAL A 71 -3.544 -3.685 2.296 1.00 0.00 N ATOM 1155 CA VAL A 71 -2.204 -3.291 2.726 1.00 0.00 C ATOM 1156 C VAL A 71 -1.735 -4.142 3.904 1.00 0.00 C ATOM 1157 O VAL A 71 -0.604 -4.628 3.918 1.00 0.00 O ATOM 1158 CB VAL A 71 -2.145 -1.801 3.133 1.00 0.00 C ATOM 1159 CG1 VAL A 71 -0.709 -1.375 3.403 1.00 0.00 C ATOM 1160 CG2 VAL A 71 -2.780 -0.917 2.065 1.00 0.00 C ATOM 0 H VAL A 71 -4.258 -2.969 2.430 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.545 -3.449 1.872 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.717 -1.679 4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.689 -0.323 3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.297 -1.978 4.212 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.112 -1.518 2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.725 0.126 2.376 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.246 -1.043 1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.824 -1.201 1.931 1.00 0.00 H new ATOM 1170 N ARG A 72 -2.615 -4.316 4.890 1.00 0.00 N ATOM 1171 CA ARG A 72 -2.294 -5.109 6.075 1.00 0.00 C ATOM 1172 C ARG A 72 -2.013 -6.568 5.704 1.00 0.00 C ATOM 1173 O ARG A 72 -1.172 -7.219 6.325 1.00 0.00 O ATOM 1174 CB ARG A 72 -3.436 -5.038 7.097 1.00 0.00 C ATOM 1175 CG ARG A 72 -3.584 -3.675 7.763 1.00 0.00 C ATOM 1176 CD ARG A 72 -3.511 -3.777 9.282 1.00 0.00 C ATOM 1177 NE ARG A 72 -4.595 -4.590 9.839 1.00 0.00 N ATOM 1178 CZ ARG A 72 -5.863 -4.179 9.946 1.00 0.00 C ATOM 1179 NH1 ARG A 72 -6.216 -2.964 9.534 1.00 0.00 N ATOM 1180 NH2 ARG A 72 -6.780 -4.986 10.468 1.00 0.00 N ATOM 0 H ARG A 72 -3.554 -3.919 4.891 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.393 -4.689 6.522 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.372 -5.292 6.600 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -3.269 -5.792 7.867 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -2.799 -3.008 7.405 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -4.536 -3.230 7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.552 -4.209 9.569 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -3.552 -2.777 9.713 1.00 0.00 H new ATOM 0 HE ARG A 72 -4.368 -5.529 10.166 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.517 -2.338 9.133 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.185 -2.658 9.619 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -6.517 -5.918 10.787 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.747 -4.673 10.550 1.00 0.00 H new ATOM 1194 N LEU A 73 -2.719 -7.074 4.689 1.00 0.00 N ATOM 1195 CA LEU A 73 -2.542 -8.456 4.238 1.00 0.00 C ATOM 1196 C LEU A 73 -1.198 -8.636 3.530 1.00 0.00 C ATOM 1197 O LEU A 73 -0.483 -9.608 3.779 1.00 0.00 O ATOM 1198 CB LEU A 73 -3.686 -8.862 3.299 1.00 0.00 C ATOM 1199 CG LEU A 73 -3.598 -10.285 2.733 1.00 0.00 C ATOM 1200 CD1 LEU A 73 -4.417 -11.250 3.577 1.00 0.00 C ATOM 1201 CD2 LEU A 73 -4.066 -10.313 1.284 1.00 0.00 C ATOM 0 H LEU A 73 -3.418 -6.547 4.165 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.556 -9.100 5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -4.629 -8.761 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.717 -8.159 2.466 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.556 -10.602 2.765 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -4.341 -12.254 3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.037 -11.253 4.598 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -5.461 -10.936 3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -3.997 -11.330 0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.100 -9.974 1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.436 -9.655 0.685 1.00 0.00 H new ATOM 1213 N MET A 74 -0.862 -7.695 2.648 1.00 0.00 N ATOM 1214 CA MET A 74 0.395 -7.751 1.903 1.00 0.00 C ATOM 1215 C MET A 74 1.596 -7.640 2.839 1.00 0.00 C ATOM 1216 O MET A 74 2.562 -8.394 2.713 1.00 0.00 O ATOM 1217 CB MET A 74 0.448 -6.634 0.861 1.00 0.00 C ATOM 1218 CG MET A 74 1.370 -6.935 -0.311 1.00 0.00 C ATOM 1219 SD MET A 74 2.382 -5.519 -0.784 1.00 0.00 S ATOM 1220 CE MET A 74 1.146 -4.224 -0.843 1.00 0.00 C ATOM 0 H MET A 74 -1.443 -6.885 2.432 1.00 0.00 H new ATOM 0 HA MET A 74 0.439 -8.716 1.398 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.558 -6.453 0.483 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.777 -5.714 1.344 1.00 0.00 H new ATOM 0 HG2 MET A 74 2.020 -7.770 -0.051 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.772 -7.251 -1.166 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.445 -3.469 -1.570 1.00 0.00 H new ATOM 0 HE2 MET A 74 0.186 -4.650 -1.136 1.00 0.00 H new ATOM 0 HE3 MET A 74 1.054 -3.764 0.141 1.00 0.00 H new ATOM 1230 N PHE A 75 1.529 -6.695 3.776 1.00 0.00 N ATOM 1231 CA PHE A 75 2.611 -6.483 4.734 1.00 0.00 C ATOM 1232 C PHE A 75 2.794 -7.706 5.632 1.00 0.00 C ATOM 1233 O PHE A 75 3.917 -8.039 6.013 1.00 0.00 O ATOM 1234 CB PHE A 75 2.338 -5.240 5.586 1.00 0.00 C ATOM 1235 CG PHE A 75 2.667 -3.944 4.890 1.00 0.00 C ATOM 1236 CD1 PHE A 75 2.190 -3.683 3.614 1.00 0.00 C ATOM 1237 CD2 PHE A 75 3.454 -2.988 5.514 1.00 0.00 C ATOM 1238 CE1 PHE A 75 2.492 -2.497 2.974 1.00 0.00 C ATOM 1239 CE2 PHE A 75 3.758 -1.799 4.877 1.00 0.00 C ATOM 1240 CZ PHE A 75 3.277 -1.553 3.607 1.00 0.00 C ATOM 0 H PHE A 75 0.736 -6.064 3.891 1.00 0.00 H new ATOM 0 HA PHE A 75 3.532 -6.329 4.172 1.00 0.00 H new ATOM 0 HB2 PHE A 75 1.287 -5.231 5.873 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.919 -5.306 6.506 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.575 -4.417 3.115 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.833 -3.174 6.508 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.115 -2.308 1.980 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.372 -1.062 5.374 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.514 -0.624 3.109 1.00 0.00 H new ATOM 1250 N SER A 76 1.687 -8.376 5.960 1.00 0.00 N ATOM 1251 CA SER A 76 1.734 -9.568 6.807 1.00 0.00 C ATOM 1252 C SER A 76 2.317 -10.760 6.045 1.00 0.00 C ATOM 1253 O SER A 76 3.021 -11.589 6.624 1.00 0.00 O ATOM 1254 CB SER A 76 0.337 -9.920 7.327 1.00 0.00 C ATOM 1255 OG SER A 76 0.067 -9.263 8.554 1.00 0.00 O ATOM 0 H SER A 76 0.750 -8.114 5.653 1.00 0.00 H new ATOM 0 HA SER A 76 2.382 -9.345 7.655 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.412 -9.637 6.587 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.258 -10.999 7.464 1.00 0.00 H new ATOM 0 HG SER A 76 -0.831 -9.503 8.863 1.00 0.00 H new ATOM 1261 N ASN A 77 2.019 -10.841 4.747 1.00 0.00 N ATOM 1262 CA ASN A 77 2.516 -11.934 3.913 1.00 0.00 C ATOM 1263 C ASN A 77 4.027 -11.834 3.718 1.00 0.00 C ATOM 1264 O ASN A 77 4.745 -12.826 3.852 1.00 0.00 O ATOM 1265 CB ASN A 77 1.815 -11.933 2.551 1.00 0.00 C ATOM 1266 CG ASN A 77 0.488 -12.671 2.577 1.00 0.00 C ATOM 1267 OD1 ASN A 77 0.089 -13.223 3.603 1.00 0.00 O ATOM 1268 ND2 ASN A 77 -0.204 -12.688 1.443 1.00 0.00 N ATOM 0 H ASN A 77 1.438 -10.164 4.253 1.00 0.00 H new ATOM 0 HA ASN A 77 2.295 -12.870 4.426 1.00 0.00 H new ATOM 0 HB2 ASN A 77 1.648 -10.904 2.233 1.00 0.00 H new ATOM 0 HB3 ASN A 77 2.468 -12.394 1.810 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.101 -13.171 1.400 1.00 0.00 H new ATOM 0 HD22 ASN A 77 0.162 -12.218 0.615 1.00 0.00 H new ATOM 1275 N CYS A 78 4.501 -10.631 3.398 1.00 0.00 N ATOM 1276 CA CYS A 78 5.927 -10.399 3.181 1.00 0.00 C ATOM 1277 C CYS A 78 6.727 -10.627 4.463 1.00 0.00 C ATOM 1278 O CYS A 78 7.792 -11.241 4.433 1.00 0.00 O ATOM 1279 CB CYS A 78 6.168 -8.979 2.660 1.00 0.00 C ATOM 1280 SG CYS A 78 7.445 -8.869 1.385 1.00 0.00 S ATOM 0 H CYS A 78 3.918 -9.802 3.283 1.00 0.00 H new ATOM 0 HA CYS A 78 6.268 -11.115 2.433 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.234 -8.587 2.258 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.449 -8.339 3.497 1.00 0.00 H new ATOM 0 HG CYS A 78 7.575 -7.632 1.007 1.00 0.00 H new ATOM 1286 N TYR A 79 6.207 -10.131 5.586 1.00 0.00 N ATOM 1287 CA TYR A 79 6.879 -10.284 6.876 1.00 0.00 C ATOM 1288 C TYR A 79 7.012 -11.759 7.260 1.00 0.00 C ATOM 1289 O TYR A 79 8.025 -12.171 7.827 1.00 0.00 O ATOM 1290 CB TYR A 79 6.115 -9.527 7.967 1.00 0.00 C ATOM 1291 CG TYR A 79 7.001 -8.719 8.894 1.00 0.00 C ATOM 1292 CD1 TYR A 79 7.799 -9.344 9.844 1.00 0.00 C ATOM 1293 CD2 TYR A 79 7.032 -7.332 8.822 1.00 0.00 C ATOM 1294 CE1 TYR A 79 8.601 -8.609 10.696 1.00 0.00 C ATOM 1295 CE2 TYR A 79 7.833 -6.590 9.670 1.00 0.00 C ATOM 1296 CZ TYR A 79 8.615 -7.233 10.605 1.00 0.00 C ATOM 1297 OH TYR A 79 9.412 -6.499 11.454 1.00 0.00 O ATOM 0 H TYR A 79 5.325 -9.621 5.628 1.00 0.00 H new ATOM 0 HA TYR A 79 7.881 -9.864 6.783 1.00 0.00 H new ATOM 0 HB2 TYR A 79 5.396 -8.858 7.495 1.00 0.00 H new ATOM 0 HB3 TYR A 79 5.544 -10.242 8.559 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.792 -10.421 9.918 1.00 0.00 H new ATOM 0 HD2 TYR A 79 6.420 -6.825 8.091 1.00 0.00 H new ATOM 0 HE1 TYR A 79 9.214 -9.110 11.430 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.846 -5.512 9.600 1.00 0.00 H new ATOM 0 HH TYR A 79 10.054 -5.976 10.930 1.00 0.00 H new ATOM 1307 N LYS A 80 5.982 -12.551 6.950 1.00 0.00 N ATOM 1308 CA LYS A 80 5.988 -13.979 7.267 1.00 0.00 C ATOM 1309 C LYS A 80 7.072 -14.717 6.482 1.00 0.00 C ATOM 1310 O LYS A 80 7.836 -15.497 7.051 1.00 0.00 O ATOM 1311 CB LYS A 80 4.619 -14.600 6.973 1.00 0.00 C ATOM 1312 CG LYS A 80 3.650 -14.521 8.145 1.00 0.00 C ATOM 1313 CD LYS A 80 2.289 -15.105 7.792 1.00 0.00 C ATOM 1314 CE LYS A 80 2.196 -16.577 8.169 1.00 0.00 C ATOM 1315 NZ LYS A 80 0.787 -17.009 8.394 1.00 0.00 N ATOM 0 H LYS A 80 5.136 -12.227 6.481 1.00 0.00 H new ATOM 0 HA LYS A 80 6.205 -14.080 8.330 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.178 -14.096 6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.755 -15.645 6.695 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.066 -15.058 8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.532 -13.481 8.450 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.508 -14.547 8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.109 -14.991 6.723 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.639 -17.182 7.378 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.779 -16.757 9.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.769 -18.017 8.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.372 -16.450 9.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.236 -16.862 7.525 1.00 0.00 H new ATOM 1329 N TYR A 81 7.134 -14.469 5.174 1.00 0.00 N ATOM 1330 CA TYR A 81 8.126 -15.114 4.315 1.00 0.00 C ATOM 1331 C TYR A 81 9.523 -14.525 4.539 1.00 0.00 C ATOM 1332 O TYR A 81 10.524 -15.232 4.419 1.00 0.00 O ATOM 1333 CB TYR A 81 7.725 -14.975 2.842 1.00 0.00 C ATOM 1334 CG TYR A 81 8.410 -15.961 1.916 1.00 0.00 C ATOM 1335 CD1 TYR A 81 8.442 -17.321 2.208 1.00 0.00 C ATOM 1336 CD2 TYR A 81 9.021 -15.529 0.745 1.00 0.00 C ATOM 1337 CE1 TYR A 81 9.062 -18.219 1.360 1.00 0.00 C ATOM 1338 CE2 TYR A 81 9.641 -16.421 -0.109 1.00 0.00 C ATOM 1339 CZ TYR A 81 9.660 -17.764 0.203 1.00 0.00 C ATOM 1340 OH TYR A 81 10.275 -18.657 -0.646 1.00 0.00 O ATOM 0 H TYR A 81 6.509 -13.827 4.687 1.00 0.00 H new ATOM 0 HA TYR A 81 8.159 -16.171 4.577 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.646 -15.103 2.757 1.00 0.00 H new ATOM 0 HB3 TYR A 81 7.953 -13.962 2.509 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.974 -17.681 3.113 1.00 0.00 H new ATOM 0 HD2 TYR A 81 9.011 -14.478 0.498 1.00 0.00 H new ATOM 0 HE1 TYR A 81 9.078 -19.271 1.602 1.00 0.00 H new ATOM 0 HE2 TYR A 81 10.108 -16.068 -1.016 1.00 0.00 H new ATOM 0 HH TYR A 81 10.645 -18.175 -1.415 1.00 0.00 H new ATOM 1350 N ASN A 82 9.582 -13.230 4.862 1.00 0.00 N ATOM 1351 CA ASN A 82 10.855 -12.552 5.100 1.00 0.00 C ATOM 1352 C ASN A 82 10.960 -12.079 6.550 1.00 0.00 C ATOM 1353 O ASN A 82 10.514 -10.979 6.886 1.00 0.00 O ATOM 1354 CB ASN A 82 11.012 -11.359 4.150 1.00 0.00 C ATOM 1355 CG ASN A 82 11.014 -11.772 2.689 1.00 0.00 C ATOM 1356 OD1 ASN A 82 11.799 -12.625 2.275 1.00 0.00 O ATOM 1357 ND2 ASN A 82 10.134 -11.168 1.897 1.00 0.00 N ATOM 0 H ASN A 82 8.762 -12.632 4.964 1.00 0.00 H new ATOM 0 HA ASN A 82 11.656 -13.266 4.910 1.00 0.00 H new ATOM 0 HB2 ASN A 82 10.200 -10.652 4.323 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.942 -10.838 4.378 1.00 0.00 H new ATOM 0 HD21 ASN A 82 10.092 -11.406 0.906 1.00 0.00 H new ATOM 0 HD22 ASN A 82 9.501 -10.466 2.280 1.00 0.00 H new ATOM 1364 N PRO A 83 11.557 -12.910 7.432 1.00 0.00 N ATOM 1365 CA PRO A 83 11.724 -12.577 8.856 1.00 0.00 C ATOM 1366 C PRO A 83 12.420 -11.231 9.065 1.00 0.00 C ATOM 1367 O PRO A 83 13.224 -10.804 8.232 1.00 0.00 O ATOM 1368 CB PRO A 83 12.598 -13.717 9.390 1.00 0.00 C ATOM 1369 CG PRO A 83 12.354 -14.854 8.458 1.00 0.00 C ATOM 1370 CD PRO A 83 12.115 -14.238 7.108 1.00 0.00 C ATOM 0 HA PRO A 83 10.764 -12.482 9.364 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.651 -13.435 9.403 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.326 -13.978 10.412 1.00 0.00 H new ATOM 0 HG2 PRO A 83 13.210 -15.529 8.433 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.493 -15.442 8.777 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.038 -14.157 6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.421 -14.831 6.513 1.00 0.00 H new ATOM 1378 N PRO A 84 12.116 -10.539 10.184 1.00 0.00 N ATOM 1379 CA PRO A 84 12.714 -9.236 10.491 1.00 0.00 C ATOM 1380 C PRO A 84 14.218 -9.318 10.709 1.00 0.00 C ATOM 1381 O PRO A 84 14.689 -9.927 11.672 1.00 0.00 O ATOM 1382 CB PRO A 84 12.013 -8.794 11.774 1.00 0.00 C ATOM 1383 CG PRO A 84 11.455 -10.042 12.371 1.00 0.00 C ATOM 1384 CD PRO A 84 11.166 -10.970 11.224 1.00 0.00 C ATOM 0 HA PRO A 84 12.584 -8.538 9.664 1.00 0.00 H new ATOM 0 HB2 PRO A 84 12.712 -8.310 12.457 1.00 0.00 H new ATOM 0 HB3 PRO A 84 11.224 -8.073 11.562 1.00 0.00 H new ATOM 0 HG2 PRO A 84 12.165 -10.492 13.065 1.00 0.00 H new ATOM 0 HG3 PRO A 84 10.548 -9.830 12.937 1.00 0.00 H new ATOM 0 HD2 PRO A 84 11.321 -12.012 11.502 1.00 0.00 H new ATOM 0 HD3 PRO A 84 10.134 -10.881 10.886 1.00 0.00 H new ATOM 1392 N ASP A 85 14.959 -8.694 9.803 1.00 0.00 N ATOM 1393 CA ASP A 85 16.420 -8.676 9.866 1.00 0.00 C ATOM 1394 C ASP A 85 17.003 -7.871 8.705 1.00 0.00 C ATOM 1395 O ASP A 85 17.911 -7.059 8.894 1.00 0.00 O ATOM 1396 CB ASP A 85 16.978 -10.106 9.839 1.00 0.00 C ATOM 1397 CG ASP A 85 18.190 -10.276 10.735 1.00 0.00 C ATOM 1398 OD1 ASP A 85 18.064 -10.047 11.957 1.00 0.00 O ATOM 1399 OD2 ASP A 85 19.265 -10.641 10.215 1.00 0.00 O ATOM 0 H ASP A 85 14.570 -8.188 9.007 1.00 0.00 H new ATOM 0 HA ASP A 85 16.710 -8.200 10.803 1.00 0.00 H new ATOM 0 HB2 ASP A 85 16.199 -10.802 10.151 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.248 -10.368 8.816 1.00 0.00 H new ATOM 1404 N HIS A 86 16.472 -8.104 7.506 1.00 0.00 N ATOM 1405 CA HIS A 86 16.931 -7.407 6.307 1.00 0.00 C ATOM 1406 C HIS A 86 16.436 -5.964 6.287 1.00 0.00 C ATOM 1407 O HIS A 86 15.402 -5.644 6.880 1.00 0.00 O ATOM 1408 CB HIS A 86 16.435 -8.124 5.047 1.00 0.00 C ATOM 1409 CG HIS A 86 17.084 -9.451 4.790 1.00 0.00 C ATOM 1410 ND1 HIS A 86 17.638 -10.236 5.782 1.00 0.00 N ATOM 1411 CD2 HIS A 86 17.253 -10.135 3.635 1.00 0.00 C ATOM 1412 CE1 HIS A 86 18.117 -11.343 5.246 1.00 0.00 C ATOM 1413 NE2 HIS A 86 17.896 -11.307 3.945 1.00 0.00 N ATOM 0 H HIS A 86 15.720 -8.773 7.339 1.00 0.00 H new ATOM 0 HA HIS A 86 18.021 -7.408 6.324 1.00 0.00 H new ATOM 0 HB2 HIS A 86 15.358 -8.270 5.128 1.00 0.00 H new ATOM 0 HB3 HIS A 86 16.605 -7.478 4.186 1.00 0.00 H new ATOM 0 HD2 HIS A 86 16.940 -9.817 2.651 1.00 0.00 H new ATOM 0 HE1 HIS A 86 18.607 -12.143 5.781 1.00 0.00 H new ATOM 0 HE2 HIS A 86 18.160 -12.032 3.278 1.00 0.00 H new ATOM 1422 N ASP A 87 17.168 -5.101 5.583 1.00 0.00 N ATOM 1423 CA ASP A 87 16.795 -3.692 5.463 1.00 0.00 C ATOM 1424 C ASP A 87 15.402 -3.548 4.849 1.00 0.00 C ATOM 1425 O ASP A 87 14.654 -2.631 5.193 1.00 0.00 O ATOM 1426 CB ASP A 87 17.815 -2.941 4.605 1.00 0.00 C ATOM 1427 CG ASP A 87 18.024 -1.515 5.074 1.00 0.00 C ATOM 1428 OD1 ASP A 87 17.208 -0.644 4.708 1.00 0.00 O ATOM 1429 OD2 ASP A 87 19.003 -1.271 5.810 1.00 0.00 O ATOM 0 H ASP A 87 18.023 -5.353 5.087 1.00 0.00 H new ATOM 0 HA ASP A 87 16.783 -3.262 6.464 1.00 0.00 H new ATOM 0 HB2 ASP A 87 18.767 -3.472 4.628 1.00 0.00 H new ATOM 0 HB3 ASP A 87 17.479 -2.934 3.568 1.00 0.00 H new ATOM 1434 N VAL A 88 15.062 -4.464 3.939 1.00 0.00 N ATOM 1435 CA VAL A 88 13.762 -4.450 3.273 1.00 0.00 C ATOM 1436 C VAL A 88 12.614 -4.541 4.282 1.00 0.00 C ATOM 1437 O VAL A 88 11.571 -3.909 4.103 1.00 0.00 O ATOM 1438 CB VAL A 88 13.641 -5.601 2.247 1.00 0.00 C ATOM 1439 CG1 VAL A 88 13.674 -6.960 2.935 1.00 0.00 C ATOM 1440 CG2 VAL A 88 12.375 -5.444 1.416 1.00 0.00 C ATOM 0 H VAL A 88 15.673 -5.227 3.647 1.00 0.00 H new ATOM 0 HA VAL A 88 13.690 -3.499 2.745 1.00 0.00 H new ATOM 0 HB VAL A 88 14.500 -5.549 1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 88 13.587 -7.748 2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 88 14.615 -7.073 3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 88 12.844 -7.033 3.637 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.306 -6.263 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.505 -5.462 2.072 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.406 -4.495 0.881 1.00 0.00 H new ATOM 1450 N VAL A 89 12.811 -5.326 5.341 1.00 0.00 N ATOM 1451 CA VAL A 89 11.791 -5.490 6.374 1.00 0.00 C ATOM 1452 C VAL A 89 11.535 -4.168 7.097 1.00 0.00 C ATOM 1453 O VAL A 89 10.386 -3.801 7.348 1.00 0.00 O ATOM 1454 CB VAL A 89 12.188 -6.564 7.408 1.00 0.00 C ATOM 1455 CG1 VAL A 89 11.030 -6.844 8.354 1.00 0.00 C ATOM 1456 CG2 VAL A 89 12.645 -7.843 6.717 1.00 0.00 C ATOM 0 H VAL A 89 13.666 -5.857 5.505 1.00 0.00 H new ATOM 0 HA VAL A 89 10.881 -5.815 5.870 1.00 0.00 H new ATOM 0 HB VAL A 89 13.025 -6.183 7.993 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.326 -7.604 9.077 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.760 -5.928 8.880 1.00 0.00 H new ATOM 0 HG13 VAL A 89 10.172 -7.201 7.784 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.919 -8.584 7.468 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.835 -8.233 6.101 1.00 0.00 H new ATOM 0 HG23 VAL A 89 13.508 -7.628 6.087 1.00 0.00 H new ATOM 1466 N ALA A 90 12.614 -3.453 7.418 1.00 0.00 N ATOM 1467 CA ALA A 90 12.508 -2.164 8.099 1.00 0.00 C ATOM 1468 C ALA A 90 11.783 -1.143 7.224 1.00 0.00 C ATOM 1469 O ALA A 90 11.074 -0.272 7.732 1.00 0.00 O ATOM 1470 CB ALA A 90 13.888 -1.647 8.475 1.00 0.00 C ATOM 0 H ALA A 90 13.570 -3.745 7.217 1.00 0.00 H new ATOM 0 HA ALA A 90 11.927 -2.309 9.010 1.00 0.00 H new ATOM 0 HB1 ALA A 90 13.791 -0.686 8.981 1.00 0.00 H new ATOM 0 HB2 ALA A 90 14.375 -2.360 9.140 1.00 0.00 H new ATOM 0 HB3 ALA A 90 14.488 -1.523 7.574 1.00 0.00 H new ATOM 1476 N MET A 91 11.964 -1.259 5.905 1.00 0.00 N ATOM 1477 CA MET A 91 11.326 -0.351 4.953 1.00 0.00 C ATOM 1478 C MET A 91 9.801 -0.418 5.069 1.00 0.00 C ATOM 1479 O MET A 91 9.115 0.594 4.913 1.00 0.00 O ATOM 1480 CB MET A 91 11.754 -0.690 3.519 1.00 0.00 C ATOM 1481 CG MET A 91 12.975 0.083 3.040 1.00 0.00 C ATOM 1482 SD MET A 91 14.228 -0.981 2.296 1.00 0.00 S ATOM 1483 CE MET A 91 14.079 -0.526 0.569 1.00 0.00 C ATOM 0 H MET A 91 12.549 -1.975 5.474 1.00 0.00 H new ATOM 0 HA MET A 91 11.648 0.663 5.191 1.00 0.00 H new ATOM 0 HB2 MET A 91 11.965 -1.758 3.456 1.00 0.00 H new ATOM 0 HB3 MET A 91 10.921 -0.489 2.845 1.00 0.00 H new ATOM 0 HG2 MET A 91 12.663 0.832 2.313 1.00 0.00 H new ATOM 0 HG3 MET A 91 13.413 0.619 3.882 1.00 0.00 H new ATOM 0 HE1 MET A 91 14.792 -1.101 -0.022 1.00 0.00 H new ATOM 0 HE2 MET A 91 13.067 -0.737 0.223 1.00 0.00 H new ATOM 0 HE3 MET A 91 14.287 0.538 0.454 1.00 0.00 H new ATOM 1493 N ALA A 92 9.278 -1.612 5.348 1.00 0.00 N ATOM 1494 CA ALA A 92 7.836 -1.806 5.490 1.00 0.00 C ATOM 1495 C ALA A 92 7.304 -1.113 6.743 1.00 0.00 C ATOM 1496 O ALA A 92 6.241 -0.491 6.710 1.00 0.00 O ATOM 1497 CB ALA A 92 7.501 -3.291 5.523 1.00 0.00 C ATOM 0 H ALA A 92 9.831 -2.459 5.480 1.00 0.00 H new ATOM 0 HA ALA A 92 7.350 -1.354 4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.424 -3.419 5.629 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.832 -3.759 4.596 1.00 0.00 H new ATOM 0 HB3 ALA A 92 8.007 -3.759 6.367 1.00 0.00 H new ATOM 1503 N ARG A 93 8.045 -1.225 7.846 1.00 0.00 N ATOM 1504 CA ARG A 93 7.638 -0.608 9.108 1.00 0.00 C ATOM 1505 C ARG A 93 7.517 0.910 8.970 1.00 0.00 C ATOM 1506 O ARG A 93 6.593 1.514 9.514 1.00 0.00 O ATOM 1507 CB ARG A 93 8.631 -0.957 10.219 1.00 0.00 C ATOM 1508 CG ARG A 93 7.988 -1.088 11.592 1.00 0.00 C ATOM 1509 CD ARG A 93 9.031 -1.125 12.700 1.00 0.00 C ATOM 1510 NE ARG A 93 9.045 -2.411 13.396 1.00 0.00 N ATOM 1511 CZ ARG A 93 9.711 -3.487 12.967 1.00 0.00 C ATOM 1512 NH1 ARG A 93 10.434 -3.437 11.850 1.00 0.00 N ATOM 1513 NH2 ARG A 93 9.655 -4.617 13.661 1.00 0.00 N ATOM 0 H ARG A 93 8.927 -1.735 7.891 1.00 0.00 H new ATOM 0 HA ARG A 93 6.657 -1.005 9.371 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.128 -1.894 9.969 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.402 -0.188 10.260 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.310 -0.251 11.758 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.387 -1.997 11.627 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.017 -0.931 12.277 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.829 -0.328 13.415 1.00 0.00 H new ATOM 0 HE ARG A 93 8.513 -2.492 14.263 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.483 -2.571 11.313 1.00 0.00 H new ATOM 0 HH12 ARG A 93 10.939 -4.264 11.532 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.105 -4.662 14.519 1.00 0.00 H new ATOM 0 HH22 ARG A 93 10.162 -5.440 13.337 1.00 0.00 H new ATOM 1527 N LYS A 94 8.448 1.519 8.236 1.00 0.00 N ATOM 1528 CA LYS A 94 8.430 2.966 8.027 1.00 0.00 C ATOM 1529 C LYS A 94 7.201 3.386 7.220 1.00 0.00 C ATOM 1530 O LYS A 94 6.628 4.449 7.458 1.00 0.00 O ATOM 1531 CB LYS A 94 9.708 3.423 7.318 1.00 0.00 C ATOM 1532 CG LYS A 94 10.837 3.779 8.273 1.00 0.00 C ATOM 1533 CD LYS A 94 11.838 4.732 7.635 1.00 0.00 C ATOM 1534 CE LYS A 94 11.705 6.142 8.196 1.00 0.00 C ATOM 1535 NZ LYS A 94 12.148 6.229 9.618 1.00 0.00 N ATOM 0 H LYS A 94 9.221 1.035 7.778 1.00 0.00 H new ATOM 0 HA LYS A 94 8.380 3.446 9.004 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.045 2.632 6.648 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.480 4.290 6.698 1.00 0.00 H new ATOM 0 HG2 LYS A 94 10.422 4.236 9.172 1.00 0.00 H new ATOM 0 HG3 LYS A 94 11.350 2.869 8.585 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.850 4.366 7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.685 4.753 6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.297 6.829 7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.666 6.464 8.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.331 7.223 9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.403 5.851 10.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 13.019 5.674 9.745 1.00 0.00 H new ATOM 1549 N LEU A 95 6.798 2.541 6.269 1.00 0.00 N ATOM 1550 CA LEU A 95 5.632 2.825 5.433 1.00 0.00 C ATOM 1551 C LEU A 95 4.331 2.625 6.212 1.00 0.00 C ATOM 1552 O LEU A 95 3.349 3.330 5.976 1.00 0.00 O ATOM 1553 CB LEU A 95 5.636 1.935 4.186 1.00 0.00 C ATOM 1554 CG LEU A 95 5.531 2.680 2.851 1.00 0.00 C ATOM 1555 CD1 LEU A 95 6.648 3.707 2.717 1.00 0.00 C ATOM 1556 CD2 LEU A 95 5.566 1.696 1.688 1.00 0.00 C ATOM 0 H LEU A 95 7.261 1.657 6.060 1.00 0.00 H new ATOM 0 HA LEU A 95 5.690 3.869 5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.553 1.345 4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 95 4.805 1.233 4.258 1.00 0.00 H new ATOM 0 HG LEU A 95 4.578 3.209 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.554 4.224 1.762 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.577 4.430 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.613 3.203 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 95 5.490 2.242 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 95 6.503 1.139 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 95 4.730 1.002 1.773 1.00 0.00 H new ATOM 1568 N GLN A 96 4.328 1.664 7.142 1.00 0.00 N ATOM 1569 CA GLN A 96 3.142 1.383 7.953 1.00 0.00 C ATOM 1570 C GLN A 96 2.679 2.636 8.697 1.00 0.00 C ATOM 1571 O GLN A 96 1.481 2.909 8.782 1.00 0.00 O ATOM 1572 CB GLN A 96 3.429 0.260 8.957 1.00 0.00 C ATOM 1573 CG GLN A 96 2.363 -0.827 8.979 1.00 0.00 C ATOM 1574 CD GLN A 96 2.654 -1.922 9.993 1.00 0.00 C ATOM 1575 OE1 GLN A 96 3.652 -1.873 10.711 1.00 0.00 O ATOM 1576 NE2 GLN A 96 1.778 -2.920 10.054 1.00 0.00 N ATOM 0 H GLN A 96 5.131 1.071 7.350 1.00 0.00 H new ATOM 0 HA GLN A 96 2.346 1.063 7.280 1.00 0.00 H new ATOM 0 HB2 GLN A 96 4.392 -0.192 8.718 1.00 0.00 H new ATOM 0 HB3 GLN A 96 3.518 0.690 9.955 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.397 -0.376 9.206 1.00 0.00 H new ATOM 0 HG3 GLN A 96 2.283 -1.270 7.986 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.963 -2.922 9.440 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.920 -3.684 10.715 1.00 0.00 H new ATOM 1585 N ASP A 97 3.637 3.395 9.232 1.00 0.00 N ATOM 1586 CA ASP A 97 3.328 4.620 9.969 1.00 0.00 C ATOM 1587 C ASP A 97 2.799 5.706 9.033 1.00 0.00 C ATOM 1588 O ASP A 97 1.914 6.478 9.405 1.00 0.00 O ATOM 1589 CB ASP A 97 4.569 5.128 10.714 1.00 0.00 C ATOM 1590 CG ASP A 97 4.684 4.558 12.117 1.00 0.00 C ATOM 1591 OD1 ASP A 97 4.366 3.364 12.304 1.00 0.00 O ATOM 1592 OD2 ASP A 97 5.098 5.306 13.028 1.00 0.00 O ATOM 0 H ASP A 97 4.633 3.183 9.168 1.00 0.00 H new ATOM 0 HA ASP A 97 2.551 4.385 10.696 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.461 4.866 10.146 1.00 0.00 H new ATOM 0 HB3 ASP A 97 4.534 6.216 10.770 1.00 0.00 H new ATOM 1597 N VAL A 98 3.344 5.761 7.818 1.00 0.00 N ATOM 1598 CA VAL A 98 2.922 6.755 6.834 1.00 0.00 C ATOM 1599 C VAL A 98 1.460 6.549 6.430 1.00 0.00 C ATOM 1600 O VAL A 98 0.693 7.509 6.343 1.00 0.00 O ATOM 1601 CB VAL A 98 3.809 6.722 5.570 1.00 0.00 C ATOM 1602 CG1 VAL A 98 3.427 7.851 4.624 1.00 0.00 C ATOM 1603 CG2 VAL A 98 5.285 6.807 5.944 1.00 0.00 C ATOM 0 H VAL A 98 4.077 5.130 7.493 1.00 0.00 H new ATOM 0 HA VAL A 98 3.029 7.730 7.310 1.00 0.00 H new ATOM 0 HB VAL A 98 3.644 5.774 5.058 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.061 7.814 3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.384 7.740 4.328 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.562 8.809 5.127 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.892 6.782 5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.471 7.737 6.480 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.548 5.962 6.581 1.00 0.00 H new ATOM 1613 N PHE A 99 1.081 5.294 6.188 1.00 0.00 N ATOM 1614 CA PHE A 99 -0.291 4.967 5.798 1.00 0.00 C ATOM 1615 C PHE A 99 -1.261 5.193 6.959 1.00 0.00 C ATOM 1616 O PHE A 99 -2.403 5.604 6.749 1.00 0.00 O ATOM 1617 CB PHE A 99 -0.376 3.513 5.318 1.00 0.00 C ATOM 1618 CG PHE A 99 -1.486 3.261 4.333 1.00 0.00 C ATOM 1619 CD1 PHE A 99 -1.480 3.873 3.089 1.00 0.00 C ATOM 1620 CD2 PHE A 99 -2.531 2.408 4.651 1.00 0.00 C ATOM 1621 CE1 PHE A 99 -2.498 3.641 2.183 1.00 0.00 C ATOM 1622 CE2 PHE A 99 -3.551 2.173 3.749 1.00 0.00 C ATOM 1623 CZ PHE A 99 -3.534 2.789 2.513 1.00 0.00 C ATOM 0 H PHE A 99 1.703 4.489 6.255 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.576 5.629 4.980 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.573 3.236 4.860 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.515 2.863 6.182 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -0.671 4.538 2.825 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.548 1.921 5.615 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.483 4.126 1.218 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -4.361 1.508 4.010 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.329 2.605 1.806 1.00 0.00 H new ATOM 1633 N GLU A 100 -0.800 4.923 8.182 1.00 0.00 N ATOM 1634 CA GLU A 100 -1.631 5.098 9.371 1.00 0.00 C ATOM 1635 C GLU A 100 -1.956 6.573 9.612 1.00 0.00 C ATOM 1636 O GLU A 100 -3.097 6.918 9.921 1.00 0.00 O ATOM 1637 CB GLU A 100 -0.936 4.509 10.602 1.00 0.00 C ATOM 1638 CG GLU A 100 -1.862 4.327 11.795 1.00 0.00 C ATOM 1639 CD GLU A 100 -1.202 4.699 13.108 1.00 0.00 C ATOM 1640 OE1 GLU A 100 -0.487 3.847 13.675 1.00 0.00 O ATOM 1641 OE2 GLU A 100 -1.401 5.843 13.568 1.00 0.00 O ATOM 0 H GLU A 100 0.143 4.583 8.373 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.567 4.566 9.200 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -0.504 3.544 10.338 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -0.111 5.160 10.889 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.753 4.938 11.655 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.191 3.289 11.840 1.00 0.00 H new ATOM 1648 N PHE A 101 -0.950 7.438 9.467 1.00 0.00 N ATOM 1649 CA PHE A 101 -1.140 8.875 9.669 1.00 0.00 C ATOM 1650 C PHE A 101 -2.173 9.435 8.689 1.00 0.00 C ATOM 1651 O PHE A 101 -2.987 10.285 9.052 1.00 0.00 O ATOM 1652 CB PHE A 101 0.192 9.619 9.511 1.00 0.00 C ATOM 1653 CG PHE A 101 0.586 10.425 10.720 1.00 0.00 C ATOM 1654 CD1 PHE A 101 0.605 9.850 11.982 1.00 0.00 C ATOM 1655 CD2 PHE A 101 0.937 11.760 10.592 1.00 0.00 C ATOM 1656 CE1 PHE A 101 0.967 10.591 13.091 1.00 0.00 C ATOM 1657 CE2 PHE A 101 1.300 12.505 11.699 1.00 0.00 C ATOM 1658 CZ PHE A 101 1.314 11.920 12.950 1.00 0.00 C ATOM 0 H PHE A 101 0.000 7.170 9.212 1.00 0.00 H new ATOM 0 HA PHE A 101 -1.512 9.025 10.683 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.978 8.895 9.297 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.126 10.283 8.649 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.334 8.811 12.099 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.927 12.223 9.617 1.00 0.00 H new ATOM 0 HE1 PHE A 101 0.978 10.131 14.068 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.572 13.544 11.585 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.596 12.501 13.816 1.00 0.00 H new ATOM 1668 N ARG A 102 -2.142 8.944 7.448 1.00 0.00 N ATOM 1669 CA ARG A 102 -3.086 9.388 6.423 1.00 0.00 C ATOM 1670 C ARG A 102 -4.467 8.771 6.653 1.00 0.00 C ATOM 1671 O ARG A 102 -5.487 9.383 6.335 1.00 0.00 O ATOM 1672 CB ARG A 102 -2.580 9.025 5.022 1.00 0.00 C ATOM 1673 CG ARG A 102 -1.511 9.967 4.485 1.00 0.00 C ATOM 1674 CD ARG A 102 -2.117 11.086 3.648 1.00 0.00 C ATOM 1675 NE ARG A 102 -1.218 11.527 2.580 1.00 0.00 N ATOM 1676 CZ ARG A 102 -0.193 12.366 2.763 1.00 0.00 C ATOM 1677 NH1 ARG A 102 0.079 12.848 3.974 1.00 0.00 N ATOM 1678 NH2 ARG A 102 0.565 12.720 1.731 1.00 0.00 N ATOM 0 H ARG A 102 -1.475 8.241 7.130 1.00 0.00 H new ATOM 0 HA ARG A 102 -3.170 10.472 6.495 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.179 8.012 5.043 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -3.424 9.019 4.332 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.952 10.396 5.317 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -0.800 9.404 3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -3.056 10.744 3.212 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.355 11.932 4.293 1.00 0.00 H new ATOM 0 HE ARG A 102 -1.384 11.172 1.638 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -0.497 12.578 4.772 1.00 0.00 H new ATOM 0 HH12 ARG A 102 0.863 13.487 4.104 1.00 0.00 H new ATOM 0 HH21 ARG A 102 0.365 12.352 0.801 1.00 0.00 H new ATOM 0 HH22 ARG A 102 1.347 13.360 1.869 1.00 0.00 H new ATOM 1692 N TYR A 103 -4.492 7.556 7.212 1.00 0.00 N ATOM 1693 CA TYR A 103 -5.749 6.859 7.490 1.00 0.00 C ATOM 1694 C TYR A 103 -6.596 7.608 8.525 1.00 0.00 C ATOM 1695 O TYR A 103 -7.799 7.373 8.629 1.00 0.00 O ATOM 1696 CB TYR A 103 -5.476 5.435 7.979 1.00 0.00 C ATOM 1697 CG TYR A 103 -6.546 4.439 7.575 1.00 0.00 C ATOM 1698 CD1 TYR A 103 -6.812 4.180 6.235 1.00 0.00 C ATOM 1699 CD2 TYR A 103 -7.288 3.759 8.533 1.00 0.00 C ATOM 1700 CE1 TYR A 103 -7.786 3.273 5.863 1.00 0.00 C ATOM 1701 CE2 TYR A 103 -8.264 2.849 8.168 1.00 0.00 C ATOM 1702 CZ TYR A 103 -8.509 2.610 6.832 1.00 0.00 C ATOM 1703 OH TYR A 103 -9.478 1.703 6.466 1.00 0.00 O ATOM 0 H TYR A 103 -3.656 7.037 7.480 1.00 0.00 H new ATOM 0 HA TYR A 103 -6.311 6.819 6.557 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -4.515 5.103 7.586 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -5.390 5.443 9.066 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -6.248 4.696 5.472 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -7.100 3.944 9.580 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -7.980 3.084 4.817 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -8.831 2.328 8.925 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.563 1.691 5.490 1.00 0.00 H new ATOM 1713 N ALA A 104 -5.969 8.507 9.289 1.00 0.00 N ATOM 1714 CA ALA A 104 -6.683 9.282 10.303 1.00 0.00 C ATOM 1715 C ALA A 104 -7.419 10.469 9.676 1.00 0.00 C ATOM 1716 O ALA A 104 -8.463 10.892 10.171 1.00 0.00 O ATOM 1717 CB ALA A 104 -5.719 9.770 11.377 1.00 0.00 C ATOM 0 H ALA A 104 -4.972 8.714 9.224 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.423 8.628 10.763 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.267 10.345 12.124 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.244 8.914 11.855 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.956 10.401 10.921 1.00 0.00 H new ATOM 1723 N LYS A 105 -6.864 11.003 8.586 1.00 0.00 N ATOM 1724 CA LYS A 105 -7.464 12.142 7.893 1.00 0.00 C ATOM 1725 C LYS A 105 -8.411 11.695 6.772 1.00 0.00 C ATOM 1726 O LYS A 105 -9.303 12.446 6.375 1.00 0.00 O ATOM 1727 CB LYS A 105 -6.371 13.047 7.317 1.00 0.00 C ATOM 1728 CG LYS A 105 -5.480 13.676 8.375 1.00 0.00 C ATOM 1729 CD LYS A 105 -4.326 14.441 7.745 1.00 0.00 C ATOM 1730 CE LYS A 105 -4.107 15.788 8.421 1.00 0.00 C ATOM 1731 NZ LYS A 105 -3.858 15.650 9.885 1.00 0.00 N ATOM 0 H LYS A 105 -5.999 10.664 8.165 1.00 0.00 H new ATOM 0 HA LYS A 105 -8.050 12.697 8.625 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.753 12.466 6.633 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.838 13.838 6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.070 14.350 8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.088 12.899 9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.415 13.847 7.814 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.527 14.594 6.685 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -3.260 16.292 7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.981 16.419 8.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.565 16.568 10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -4.730 15.335 10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.106 14.950 10.045 1.00 0.00 H new ATOM 1745 N MET A 106 -8.212 10.478 6.259 1.00 0.00 N ATOM 1746 CA MET A 106 -9.052 9.948 5.182 1.00 0.00 C ATOM 1747 C MET A 106 -10.545 9.988 5.542 1.00 0.00 C ATOM 1748 O MET A 106 -11.365 10.406 4.724 1.00 0.00 O ATOM 1749 CB MET A 106 -8.635 8.513 4.836 1.00 0.00 C ATOM 1750 CG MET A 106 -8.826 8.157 3.369 1.00 0.00 C ATOM 1751 SD MET A 106 -9.957 6.773 3.131 1.00 0.00 S ATOM 1752 CE MET A 106 -8.937 5.651 2.174 1.00 0.00 C ATOM 0 H MET A 106 -7.478 9.842 6.571 1.00 0.00 H new ATOM 0 HA MET A 106 -8.904 10.588 4.312 1.00 0.00 H new ATOM 0 HB2 MET A 106 -7.587 8.375 5.101 1.00 0.00 H new ATOM 0 HB3 MET A 106 -9.212 7.819 5.447 1.00 0.00 H new ATOM 0 HG2 MET A 106 -9.206 9.028 2.834 1.00 0.00 H new ATOM 0 HG3 MET A 106 -7.859 7.911 2.930 1.00 0.00 H new ATOM 0 HE1 MET A 106 -9.575 4.957 1.627 1.00 0.00 H new ATOM 0 HE2 MET A 106 -8.332 6.221 1.469 1.00 0.00 H new ATOM 0 HE3 MET A 106 -8.283 5.092 2.844 1.00 0.00 H new ATOM 1762 N PRO A 107 -10.921 9.543 6.766 1.00 0.00 N ATOM 1763 CA PRO A 107 -12.320 9.522 7.216 1.00 0.00 C ATOM 1764 C PRO A 107 -13.108 10.785 6.851 1.00 0.00 C ATOM 1765 O PRO A 107 -14.104 10.707 6.130 1.00 0.00 O ATOM 1766 CB PRO A 107 -12.191 9.387 8.733 1.00 0.00 C ATOM 1767 CG PRO A 107 -10.930 8.624 8.935 1.00 0.00 C ATOM 1768 CD PRO A 107 -10.012 9.011 7.804 1.00 0.00 C ATOM 0 HA PRO A 107 -12.879 8.719 6.736 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.145 10.363 9.216 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -13.045 8.861 9.158 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -10.481 8.864 9.899 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.121 7.551 8.931 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.285 9.760 8.119 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.448 8.153 7.438 1.00 0.00 H new ATOM 1776 N ASP A 108 -12.669 11.943 7.356 1.00 0.00 N ATOM 1777 CA ASP A 108 -13.356 13.208 7.082 1.00 0.00 C ATOM 1778 C ASP A 108 -12.373 14.378 6.988 1.00 0.00 C ATOM 1779 O ASP A 108 -11.195 14.242 7.321 1.00 0.00 O ATOM 1780 CB ASP A 108 -14.395 13.482 8.175 1.00 0.00 C ATOM 1781 CG ASP A 108 -15.817 13.397 7.656 1.00 0.00 C ATOM 1782 OD1 ASP A 108 -16.314 12.267 7.467 1.00 0.00 O ATOM 1783 OD2 ASP A 108 -16.435 14.461 7.440 1.00 0.00 O ATOM 0 H ASP A 108 -11.846 12.030 7.953 1.00 0.00 H new ATOM 0 HA ASP A 108 -13.854 13.116 6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -14.264 12.765 8.985 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -14.223 14.473 8.595 1.00 0.00 H new TER 1788 ASP A 108