USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 772 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 112 SER OG : rot 180:sc= -1.01 USER MOD Set 1.2: A 116 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0187) USER MOD Set 2.1: A 107 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.0271) USER MOD Set 2.2: A 111 GLN : amide:sc= -0.84 X(o=-0.84,f=-1!) USER MOD Set 3.1: A 97 CYS SG : rot 28:sc= 0.97 USER MOD Set 3.2: A 100 CYS SG : rot -50:sc= -2.29! USER MOD Set 3.3: A 102 GLN : amide:sc= -0.179 K(o=-4.3,f=-5.5!) USER MOD Set 3.4: A 113 HIS :FLIP no HD1:sc= -2.88 F(o=-5.6!,f=-4.3) USER MOD Set 3.5: A 114 MET CE :methyl -120:sc= -0.0996 (180deg=-0.506) USER MOD Set 3.6: A 118 HIS : no HD1:sc= 0.13 K(o=-4.3,f=-6.3) USER MOD Set 4.1: A 69 CYS SG : rot -140:sc= -3.36! USER MOD Set 4.2: A 72 CYS SG : rot 180:sc= -1.66! USER MOD Set 4.3: A 85 HIS : no HD1:sc= -1.56 K(o=-17,f=-19) USER MOD Set 4.4: A 86 MET CE :methyl 160:sc= -5.85! (180deg=-2.82) USER MOD Set 4.5: A 89 HIS : no HD1:sc= -4.93! C(o=-17!,f=-21!) USER MOD Set 5.1: A 38 CYS SG : rot 129:sc= -1.61 USER MOD Set 5.2: A 41 CYS SG : rot -69:sc= -1.88 USER MOD Set 5.3: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 5.4: A 54 HIS :FLIP no HD1:sc= -0.593 F(o=-7.4,f=-4.1) USER MOD Set 6.1: A 10 CYS SG : rot 130:sc= 0.112 USER MOD Set 6.2: A 12 THR OG1 : rot 92:sc=0.000138 USER MOD Set 6.3: A 13 CYS SG : rot -41:sc= -2.86! USER MOD Set 6.4: A 15 LYS NZ :NH3+ 160:sc= -1.41 (180deg=-2.39!) USER MOD Set 6.5: A 26 HIS : no HD1:sc= -2.67 K(o=-6.8,f=-7.6) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.121 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -1.83! C(o=-1.8!,f=-1.5!) USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= -0.0232 (180deg=-0.22) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 180:sc= 0.00894 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.201 K(o=-0.2,f=-2.8!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -37:sc= 0.408 USER MOD Single : A 73 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.073) USER MOD Single : A 75 THR OG1 : rot 45:sc= 0.0294 USER MOD Single : A 80 MET CE :methyl -140:sc= -1.65! (180deg=-3.86) USER MOD Single : A 88 SER OG : rot -76:sc= 1.28 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= -0.686 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0215 USER MOD Single : A 103 GLN : amide:sc= -0.0826 X(o=-0.083,f=0) USER MOD Single : A 105 MET CE :methyl -169:sc= -0.851 (180deg=-0.897) USER MOD Single : A 106 GLN : amide:sc= -0.0982 X(o=-0.098,f=-0.1) USER MOD Single : A 108 LYS NZ :NH3+ -152:sc= -0.0209 (180deg=-0.0928) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 8.716 6.578 5.959 1.00 0.00 N ATOM 60 CA GLY A 7 7.444 6.485 6.651 1.00 0.00 C ATOM 61 C GLY A 7 7.579 5.874 8.032 1.00 0.00 C ATOM 62 O GLY A 7 8.689 5.691 8.532 1.00 0.00 O ATOM 0 HA2 GLY A 7 7.008 7.480 6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.754 5.885 6.058 1.00 0.00 H new ATOM 66 N VAL A 8 6.446 5.559 8.651 1.00 0.00 N ATOM 67 CA VAL A 8 6.442 4.965 9.983 1.00 0.00 C ATOM 68 C VAL A 8 6.570 3.448 9.909 1.00 0.00 C ATOM 69 O VAL A 8 6.748 2.883 8.831 1.00 0.00 O ATOM 70 CB VAL A 8 5.158 5.324 10.754 1.00 0.00 C ATOM 71 CG1 VAL A 8 5.095 6.821 11.020 1.00 0.00 C ATOM 72 CG2 VAL A 8 3.929 4.860 9.986 1.00 0.00 C ATOM 0 H VAL A 8 5.519 5.705 8.252 1.00 0.00 H new ATOM 0 HA VAL A 8 7.302 5.374 10.514 1.00 0.00 H new ATOM 0 HB VAL A 8 5.176 4.809 11.714 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.181 7.055 11.566 1.00 0.00 H new ATOM 0 HG12 VAL A 8 5.959 7.122 11.613 1.00 0.00 H new ATOM 0 HG13 VAL A 8 5.100 7.359 10.072 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.030 5.122 10.545 1.00 0.00 H new ATOM 0 HG22 VAL A 8 3.904 5.346 9.011 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.971 3.779 9.851 1.00 0.00 H new ATOM 82 N GLU A 9 6.478 2.795 11.063 1.00 0.00 N ATOM 83 CA GLU A 9 6.584 1.342 11.129 1.00 0.00 C ATOM 84 C GLU A 9 5.681 0.779 12.222 1.00 0.00 C ATOM 85 O GLU A 9 5.703 1.244 13.362 1.00 0.00 O ATOM 86 CB GLU A 9 8.034 0.925 11.385 1.00 0.00 C ATOM 87 CG GLU A 9 8.218 -0.575 11.539 1.00 0.00 C ATOM 88 CD GLU A 9 9.632 -1.025 11.226 1.00 0.00 C ATOM 89 OE1 GLU A 9 10.572 -0.512 11.868 1.00 0.00 O ATOM 90 OE2 GLU A 9 9.798 -1.888 10.340 1.00 0.00 O ATOM 0 H GLU A 9 6.330 3.249 11.965 1.00 0.00 H new ATOM 0 HA GLU A 9 6.261 0.936 10.170 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.655 1.276 10.561 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.392 1.421 12.287 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.966 -0.865 12.559 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.522 -1.092 10.879 1.00 0.00 H new ATOM 97 N CYS A 10 4.885 -0.223 11.866 1.00 0.00 N ATOM 98 CA CYS A 10 3.972 -0.850 12.815 1.00 0.00 C ATOM 99 C CYS A 10 4.711 -1.847 13.703 1.00 0.00 C ATOM 100 O CYS A 10 5.192 -2.884 13.248 1.00 0.00 O ATOM 101 CB CYS A 10 2.837 -1.557 12.071 1.00 0.00 C ATOM 102 SG CYS A 10 1.697 -2.475 13.155 1.00 0.00 S ATOM 0 H CYS A 10 4.853 -0.619 10.926 1.00 0.00 H new ATOM 0 HA CYS A 10 3.552 -0.068 13.448 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.269 -0.816 11.508 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.267 -2.248 11.346 1.00 0.00 H new ATOM 0 HG CYS A 10 0.471 -2.147 12.873 1.00 0.00 H new ATOM 107 N PRO A 11 4.804 -1.526 15.002 1.00 0.00 N ATOM 108 CA PRO A 11 5.481 -2.380 15.982 1.00 0.00 C ATOM 109 C PRO A 11 4.715 -3.670 16.255 1.00 0.00 C ATOM 110 O PRO A 11 5.116 -4.477 17.094 1.00 0.00 O ATOM 111 CB PRO A 11 5.526 -1.509 17.240 1.00 0.00 C ATOM 112 CG PRO A 11 4.383 -0.566 17.090 1.00 0.00 C ATOM 113 CD PRO A 11 4.253 -0.305 15.614 1.00 0.00 C ATOM 0 HA PRO A 11 6.463 -2.701 15.633 1.00 0.00 H new ATOM 0 HB2 PRO A 11 5.426 -2.112 18.143 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.473 -0.974 17.317 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.466 -0.997 17.492 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.566 0.360 17.635 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.215 -0.144 15.324 1.00 0.00 H new ATOM 0 HD3 PRO A 11 4.810 0.582 15.312 1.00 0.00 H new ATOM 121 N THR A 12 3.610 -3.859 15.540 1.00 0.00 N ATOM 122 CA THR A 12 2.788 -5.051 15.705 1.00 0.00 C ATOM 123 C THR A 12 3.097 -6.086 14.630 1.00 0.00 C ATOM 124 O THR A 12 3.382 -7.245 14.932 1.00 0.00 O ATOM 125 CB THR A 12 1.287 -4.709 15.656 1.00 0.00 C ATOM 126 OG1 THR A 12 1.025 -3.539 16.439 1.00 0.00 O ATOM 127 CG2 THR A 12 0.450 -5.869 16.173 1.00 0.00 C ATOM 0 H THR A 12 3.264 -3.202 14.841 1.00 0.00 H new ATOM 0 HA THR A 12 3.027 -5.466 16.684 1.00 0.00 H new ATOM 0 HB THR A 12 1.014 -4.519 14.618 1.00 0.00 H new ATOM 0 HG1 THR A 12 1.083 -2.744 15.869 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.606 -5.604 16.129 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.629 -6.750 15.557 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.727 -6.086 17.205 1.00 0.00 H new ATOM 135 N CYS A 13 3.041 -5.660 13.372 1.00 0.00 N ATOM 136 CA CYS A 13 3.315 -6.550 12.250 1.00 0.00 C ATOM 137 C CYS A 13 4.471 -6.021 11.406 1.00 0.00 C ATOM 138 O CYS A 13 4.684 -6.465 10.278 1.00 0.00 O ATOM 139 CB CYS A 13 2.066 -6.710 11.382 1.00 0.00 C ATOM 140 SG CYS A 13 1.458 -5.152 10.659 1.00 0.00 S ATOM 0 H CYS A 13 2.808 -4.704 13.104 1.00 0.00 H new ATOM 0 HA CYS A 13 3.597 -7.523 12.651 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.284 -7.411 10.576 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.272 -7.153 11.984 1.00 0.00 H new ATOM 0 HG CYS A 13 1.541 -4.202 11.543 1.00 0.00 H new ATOM 145 N HIS A 14 5.214 -5.068 11.961 1.00 0.00 N ATOM 146 CA HIS A 14 6.349 -4.478 11.260 1.00 0.00 C ATOM 147 C HIS A 14 5.927 -3.947 9.893 1.00 0.00 C ATOM 148 O HIS A 14 6.744 -3.837 8.979 1.00 0.00 O ATOM 149 CB HIS A 14 7.466 -5.509 11.097 1.00 0.00 C ATOM 150 CG HIS A 14 7.976 -6.050 12.397 1.00 0.00 C ATOM 151 ND1 HIS A 14 8.307 -5.248 13.468 1.00 0.00 N ATOM 152 CD2 HIS A 14 8.210 -7.322 12.795 1.00 0.00 C ATOM 153 CE1 HIS A 14 8.724 -6.003 14.469 1.00 0.00 C ATOM 154 NE2 HIS A 14 8.675 -7.266 14.086 1.00 0.00 N ATOM 0 H HIS A 14 5.050 -4.688 12.893 1.00 0.00 H new ATOM 0 HA HIS A 14 6.719 -3.644 11.856 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.100 -6.335 10.487 1.00 0.00 H new ATOM 0 HB3 HIS A 14 8.293 -5.053 10.553 1.00 0.00 H new ATOM 0 HD2 HIS A 14 8.059 -8.215 12.207 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.049 -5.648 15.436 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.940 -8.069 14.656 1.00 0.00 H new ATOM 162 N LYS A 15 4.646 -3.620 9.761 1.00 0.00 N ATOM 163 CA LYS A 15 4.114 -3.100 8.507 1.00 0.00 C ATOM 164 C LYS A 15 4.236 -1.580 8.452 1.00 0.00 C ATOM 165 O LYS A 15 3.536 -0.865 9.170 1.00 0.00 O ATOM 166 CB LYS A 15 2.649 -3.511 8.341 1.00 0.00 C ATOM 167 CG LYS A 15 2.034 -3.051 7.030 1.00 0.00 C ATOM 168 CD LYS A 15 0.866 -3.934 6.623 1.00 0.00 C ATOM 169 CE LYS A 15 1.337 -5.169 5.870 1.00 0.00 C ATOM 170 NZ LYS A 15 2.005 -6.147 6.773 1.00 0.00 N ATOM 0 H LYS A 15 3.957 -3.706 10.508 1.00 0.00 H new ATOM 0 HA LYS A 15 4.699 -3.523 7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.575 -4.597 8.406 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.069 -3.102 9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.695 -2.020 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 15 2.792 -3.064 6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 15 0.311 -4.237 7.511 1.00 0.00 H new ATOM 0 HD3 LYS A 15 0.179 -3.365 5.997 1.00 0.00 H new ATOM 0 HE2 LYS A 15 0.485 -5.646 5.385 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.028 -4.872 5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.007 -7.086 6.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.985 -5.845 6.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.490 -6.194 7.676 1.00 0.00 H new ATOM 184 N LYS A 16 5.128 -1.093 7.596 1.00 0.00 N ATOM 185 CA LYS A 16 5.340 0.341 7.446 1.00 0.00 C ATOM 186 C LYS A 16 4.260 0.962 6.566 1.00 0.00 C ATOM 187 O LYS A 16 3.609 0.269 5.783 1.00 0.00 O ATOM 188 CB LYS A 16 6.721 0.613 6.844 1.00 0.00 C ATOM 189 CG LYS A 16 7.870 0.201 7.749 1.00 0.00 C ATOM 190 CD LYS A 16 9.133 0.987 7.438 1.00 0.00 C ATOM 191 CE LYS A 16 10.383 0.179 7.752 1.00 0.00 C ATOM 192 NZ LYS A 16 11.551 1.056 8.045 1.00 0.00 N ATOM 0 H LYS A 16 5.716 -1.671 6.995 1.00 0.00 H new ATOM 0 HA LYS A 16 5.285 0.796 8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.807 0.081 5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 16 6.808 1.676 6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.589 0.359 8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.065 -0.865 7.629 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.137 1.271 6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.140 1.910 8.017 1.00 0.00 H new ATOM 0 HE2 LYS A 16 10.191 -0.469 8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 16 10.618 -0.469 6.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.383 0.468 8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.750 1.656 7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.337 1.657 8.866 1.00 0.00 H new ATOM 206 N PHE A 17 4.075 2.271 6.698 1.00 0.00 N ATOM 207 CA PHE A 17 3.073 2.985 5.914 1.00 0.00 C ATOM 208 C PHE A 17 3.611 4.332 5.443 1.00 0.00 C ATOM 209 O PHE A 17 4.749 4.699 5.740 1.00 0.00 O ATOM 210 CB PHE A 17 1.801 3.191 6.739 1.00 0.00 C ATOM 211 CG PHE A 17 1.142 1.907 7.155 1.00 0.00 C ATOM 212 CD1 PHE A 17 1.613 1.191 8.243 1.00 0.00 C ATOM 213 CD2 PHE A 17 0.050 1.416 6.456 1.00 0.00 C ATOM 214 CE1 PHE A 17 1.008 0.010 8.629 1.00 0.00 C ATOM 215 CE2 PHE A 17 -0.559 0.235 6.837 1.00 0.00 C ATOM 216 CZ PHE A 17 -0.079 -0.469 7.924 1.00 0.00 C ATOM 0 H PHE A 17 4.606 2.859 7.340 1.00 0.00 H new ATOM 0 HA PHE A 17 2.835 2.382 5.038 1.00 0.00 H new ATOM 0 HB2 PHE A 17 2.045 3.770 7.630 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.093 3.782 6.159 1.00 0.00 H new ATOM 0 HD1 PHE A 17 2.464 1.560 8.797 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.329 1.962 5.605 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.384 -0.538 9.480 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.410 -0.137 6.285 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.553 -1.393 8.222 1.00 0.00 H new ATOM 226 N LEU A 18 2.786 5.066 4.704 1.00 0.00 N ATOM 227 CA LEU A 18 3.177 6.374 4.190 1.00 0.00 C ATOM 228 C LEU A 18 3.328 7.383 5.324 1.00 0.00 C ATOM 229 O LEU A 18 4.324 8.101 5.402 1.00 0.00 O ATOM 230 CB LEU A 18 2.145 6.876 3.179 1.00 0.00 C ATOM 231 CG LEU A 18 2.223 6.265 1.780 1.00 0.00 C ATOM 232 CD1 LEU A 18 1.714 4.832 1.794 1.00 0.00 C ATOM 233 CD2 LEU A 18 1.433 7.104 0.786 1.00 0.00 C ATOM 0 H LEU A 18 1.842 4.777 4.447 1.00 0.00 H new ATOM 0 HA LEU A 18 4.141 6.268 3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.150 6.686 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.251 7.957 3.088 1.00 0.00 H new ATOM 0 HG LEU A 18 3.267 6.255 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.777 4.414 0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.323 4.236 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.677 4.818 2.128 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.500 6.654 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.389 7.147 1.095 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.844 8.113 0.754 1.00 0.00 H new ATOM 245 N SER A 19 2.332 7.430 6.203 1.00 0.00 N ATOM 246 CA SER A 19 2.352 8.351 7.333 1.00 0.00 C ATOM 247 C SER A 19 1.637 7.749 8.538 1.00 0.00 C ATOM 248 O SER A 19 0.974 6.717 8.431 1.00 0.00 O ATOM 249 CB SER A 19 1.697 9.679 6.947 1.00 0.00 C ATOM 250 OG SER A 19 1.874 10.650 7.965 1.00 0.00 O ATOM 0 H SER A 19 1.501 6.841 6.154 1.00 0.00 H new ATOM 0 HA SER A 19 3.392 8.532 7.604 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.128 10.043 6.014 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.633 9.525 6.768 1.00 0.00 H new ATOM 0 HG SER A 19 1.448 11.490 7.694 1.00 0.00 H new ATOM 256 N LYS A 20 1.776 8.402 9.688 1.00 0.00 N ATOM 257 CA LYS A 20 1.143 7.934 10.915 1.00 0.00 C ATOM 258 C LYS A 20 -0.349 7.699 10.703 1.00 0.00 C ATOM 259 O LYS A 20 -0.880 6.648 11.064 1.00 0.00 O ATOM 260 CB LYS A 20 1.355 8.948 12.041 1.00 0.00 C ATOM 261 CG LYS A 20 2.756 8.921 12.628 1.00 0.00 C ATOM 262 CD LYS A 20 2.910 7.807 13.651 1.00 0.00 C ATOM 263 CE LYS A 20 2.378 8.224 15.013 1.00 0.00 C ATOM 264 NZ LYS A 20 3.432 8.863 15.849 1.00 0.00 N ATOM 0 H LYS A 20 2.322 9.257 9.795 1.00 0.00 H new ATOM 0 HA LYS A 20 1.606 6.987 11.194 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.148 9.949 11.661 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.634 8.753 12.835 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.484 8.785 11.828 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.973 9.880 13.098 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.378 6.920 13.307 1.00 0.00 H new ATOM 0 HD3 LYS A 20 3.962 7.534 13.738 1.00 0.00 H new ATOM 0 HE2 LYS A 20 1.548 8.918 14.882 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.983 7.350 15.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.029 9.133 16.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.213 8.192 15.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.791 9.711 15.366 1.00 0.00 H new ATOM 278 N TYR A 21 -1.020 8.683 10.113 1.00 0.00 N ATOM 279 CA TYR A 21 -2.451 8.583 9.854 1.00 0.00 C ATOM 280 C TYR A 21 -2.837 7.159 9.466 1.00 0.00 C ATOM 281 O TYR A 21 -3.844 6.627 9.933 1.00 0.00 O ATOM 282 CB TYR A 21 -2.858 9.554 8.744 1.00 0.00 C ATOM 283 CG TYR A 21 -4.279 9.363 8.263 1.00 0.00 C ATOM 284 CD1 TYR A 21 -4.612 8.311 7.419 1.00 0.00 C ATOM 285 CD2 TYR A 21 -5.288 10.235 8.652 1.00 0.00 C ATOM 286 CE1 TYR A 21 -5.908 8.133 6.976 1.00 0.00 C ATOM 287 CE2 TYR A 21 -6.588 10.064 8.216 1.00 0.00 C ATOM 288 CZ TYR A 21 -6.893 9.011 7.378 1.00 0.00 C ATOM 289 OH TYR A 21 -8.186 8.838 6.940 1.00 0.00 O ATOM 0 H TYR A 21 -0.596 9.558 9.806 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.979 8.846 10.770 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.740 10.576 9.105 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -2.178 9.434 7.900 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.844 7.620 7.104 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.052 11.061 9.307 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.149 7.311 6.318 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.361 10.750 8.529 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.756 9.541 7.316 1.00 0.00 H new ATOM 299 N TYR A 22 -2.028 6.547 8.607 1.00 0.00 N ATOM 300 CA TYR A 22 -2.284 5.186 8.154 1.00 0.00 C ATOM 301 C TYR A 22 -2.038 4.182 9.276 1.00 0.00 C ATOM 302 O TYR A 22 -2.794 3.224 9.446 1.00 0.00 O ATOM 303 CB TYR A 22 -1.398 4.851 6.952 1.00 0.00 C ATOM 304 CG TYR A 22 -1.951 5.348 5.636 1.00 0.00 C ATOM 305 CD1 TYR A 22 -3.254 5.054 5.252 1.00 0.00 C ATOM 306 CD2 TYR A 22 -1.171 6.109 4.775 1.00 0.00 C ATOM 307 CE1 TYR A 22 -3.763 5.504 4.049 1.00 0.00 C ATOM 308 CE2 TYR A 22 -1.672 6.566 3.571 1.00 0.00 C ATOM 309 CZ TYR A 22 -2.968 6.260 3.213 1.00 0.00 C ATOM 310 OH TYR A 22 -3.471 6.712 2.014 1.00 0.00 O ATOM 0 H TYR A 22 -1.190 6.973 8.211 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.330 5.121 7.856 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.410 5.284 7.108 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.268 3.770 6.897 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -3.879 4.464 5.905 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.155 6.348 5.051 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -4.777 5.265 3.765 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.052 7.159 2.915 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.784 7.230 1.545 1.00 0.00 H new ATOM 320 N LEU A 23 -0.976 4.409 10.041 1.00 0.00 N ATOM 321 CA LEU A 23 -0.629 3.526 11.150 1.00 0.00 C ATOM 322 C LEU A 23 -1.696 3.574 12.239 1.00 0.00 C ATOM 323 O LEU A 23 -2.213 2.540 12.663 1.00 0.00 O ATOM 324 CB LEU A 23 0.730 3.918 11.733 1.00 0.00 C ATOM 325 CG LEU A 23 1.192 3.120 12.953 1.00 0.00 C ATOM 326 CD1 LEU A 23 1.339 1.647 12.602 1.00 0.00 C ATOM 327 CD2 LEU A 23 2.503 3.676 13.489 1.00 0.00 C ATOM 0 H LEU A 23 -0.340 5.196 9.914 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.573 2.507 10.767 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.482 3.815 10.951 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.696 4.973 12.005 1.00 0.00 H new ATOM 0 HG LEU A 23 0.436 3.213 13.732 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.668 1.094 13.482 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.379 1.255 12.266 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.075 1.534 11.806 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.816 3.096 14.357 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.268 3.614 12.715 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.365 4.717 13.779 1.00 0.00 H new ATOM 339 N LYS A 24 -2.023 4.781 12.686 1.00 0.00 N ATOM 340 CA LYS A 24 -3.031 4.966 13.724 1.00 0.00 C ATOM 341 C LYS A 24 -4.380 4.410 13.277 1.00 0.00 C ATOM 342 O LYS A 24 -5.227 4.071 14.103 1.00 0.00 O ATOM 343 CB LYS A 24 -3.170 6.450 14.071 1.00 0.00 C ATOM 344 CG LYS A 24 -3.666 7.301 12.915 1.00 0.00 C ATOM 345 CD LYS A 24 -4.473 8.492 13.406 1.00 0.00 C ATOM 346 CE LYS A 24 -3.603 9.477 14.173 1.00 0.00 C ATOM 347 NZ LYS A 24 -3.031 10.523 13.281 1.00 0.00 N ATOM 0 H LYS A 24 -1.605 5.647 12.346 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.708 4.421 14.611 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.858 6.555 14.910 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.203 6.829 14.402 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.816 7.652 12.330 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.280 6.693 12.251 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.933 8.996 12.556 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.283 8.145 14.047 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.195 9.951 14.956 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.794 8.939 14.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.445 11.174 13.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -2.445 10.073 12.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.803 11.054 12.829 1.00 0.00 H new ATOM 361 N VAL A 25 -4.571 4.317 11.965 1.00 0.00 N ATOM 362 CA VAL A 25 -5.816 3.800 11.409 1.00 0.00 C ATOM 363 C VAL A 25 -5.718 2.302 11.143 1.00 0.00 C ATOM 364 O VAL A 25 -6.730 1.603 11.086 1.00 0.00 O ATOM 365 CB VAL A 25 -6.187 4.519 10.098 1.00 0.00 C ATOM 366 CG1 VAL A 25 -7.369 3.834 9.430 1.00 0.00 C ATOM 367 CG2 VAL A 25 -6.489 5.986 10.363 1.00 0.00 C ATOM 0 H VAL A 25 -3.880 4.593 11.267 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.594 3.985 12.149 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.336 4.464 9.419 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.617 4.356 8.506 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.110 2.799 9.205 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.228 3.855 10.100 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.749 6.479 9.426 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.324 6.066 11.059 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.610 6.466 10.794 1.00 0.00 H new ATOM 377 N HIS A 26 -4.492 1.813 10.982 1.00 0.00 N ATOM 378 CA HIS A 26 -4.261 0.397 10.724 1.00 0.00 C ATOM 379 C HIS A 26 -3.995 -0.356 12.024 1.00 0.00 C ATOM 380 O HIS A 26 -4.134 -1.577 12.085 1.00 0.00 O ATOM 381 CB HIS A 26 -3.082 0.217 9.766 1.00 0.00 C ATOM 382 CG HIS A 26 -2.316 -1.051 9.991 1.00 0.00 C ATOM 383 ND1 HIS A 26 -2.518 -2.194 9.247 1.00 0.00 N ATOM 384 CD2 HIS A 26 -1.342 -1.350 10.881 1.00 0.00 C ATOM 385 CE1 HIS A 26 -1.703 -3.143 9.672 1.00 0.00 C ATOM 386 NE2 HIS A 26 -0.978 -2.656 10.663 1.00 0.00 N ATOM 0 H HIS A 26 -3.643 2.377 11.026 1.00 0.00 H new ATOM 0 HA HIS A 26 -5.159 -0.014 10.264 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -3.452 0.231 8.741 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.405 1.065 9.873 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.928 -0.685 11.625 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -1.640 -4.146 9.277 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -0.264 -3.167 11.182 1.00 0.00 H new ATOM 394 N ASN A 27 -3.610 0.381 13.061 1.00 0.00 N ATOM 395 CA ASN A 27 -3.323 -0.218 14.359 1.00 0.00 C ATOM 396 C ASN A 27 -4.522 -1.012 14.869 1.00 0.00 C ATOM 397 O ASN A 27 -4.395 -2.180 15.238 1.00 0.00 O ATOM 398 CB ASN A 27 -2.947 0.866 15.372 1.00 0.00 C ATOM 399 CG ASN A 27 -4.154 1.409 16.113 1.00 0.00 C ATOM 400 OD1 ASN A 27 -4.864 2.279 15.610 1.00 0.00 O ATOM 401 ND2 ASN A 27 -4.390 0.896 17.314 1.00 0.00 N ATOM 0 H ASN A 27 -3.490 1.393 13.028 1.00 0.00 H new ATOM 0 HA ASN A 27 -2.482 -0.901 14.238 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.237 0.457 16.091 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.443 1.683 14.855 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -5.188 1.222 17.860 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.774 0.176 17.691 1.00 0.00 H new ATOM 543 N PHE A 36 -15.297 -10.780 11.914 1.00 0.00 N ATOM 544 CA PHE A 36 -14.560 -11.612 10.970 1.00 0.00 C ATOM 545 C PHE A 36 -13.804 -10.752 9.961 1.00 0.00 C ATOM 546 O PHE A 36 -13.919 -9.527 9.966 1.00 0.00 O ATOM 547 CB PHE A 36 -15.514 -12.558 10.238 1.00 0.00 C ATOM 548 CG PHE A 36 -16.324 -13.424 11.159 1.00 0.00 C ATOM 549 CD1 PHE A 36 -15.835 -14.647 11.590 1.00 0.00 C ATOM 550 CD2 PHE A 36 -17.574 -13.016 11.595 1.00 0.00 C ATOM 551 CE1 PHE A 36 -16.578 -15.446 12.438 1.00 0.00 C ATOM 552 CE2 PHE A 36 -18.322 -13.811 12.443 1.00 0.00 C ATOM 553 CZ PHE A 36 -17.823 -15.027 12.866 1.00 0.00 C ATOM 0 HA PHE A 36 -13.836 -12.201 11.533 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -16.190 -11.970 9.617 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -14.937 -13.195 9.567 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -14.862 -14.979 11.259 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -17.969 -12.065 11.268 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -16.186 -16.397 12.766 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -19.296 -13.481 12.774 1.00 0.00 H new ATOM 0 HZ PHE A 36 -18.405 -15.649 13.530 1.00 0.00 H new ATOM 563 N GLU A 37 -13.032 -11.404 9.098 1.00 0.00 N ATOM 564 CA GLU A 37 -12.256 -10.699 8.084 1.00 0.00 C ATOM 565 C GLU A 37 -11.724 -11.669 7.033 1.00 0.00 C ATOM 566 O GLU A 37 -11.266 -12.765 7.359 1.00 0.00 O ATOM 567 CB GLU A 37 -11.094 -9.944 8.733 1.00 0.00 C ATOM 568 CG GLU A 37 -10.254 -9.154 7.744 1.00 0.00 C ATOM 569 CD GLU A 37 -8.983 -8.607 8.364 1.00 0.00 C ATOM 570 OE1 GLU A 37 -7.953 -9.311 8.328 1.00 0.00 O ATOM 571 OE2 GLU A 37 -9.019 -7.472 8.886 1.00 0.00 O ATOM 0 H GLU A 37 -12.927 -12.418 9.080 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.915 -9.984 7.592 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.490 -9.263 9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.454 -10.657 9.253 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -9.996 -9.794 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.846 -8.328 7.349 1.00 0.00 H new ATOM 578 N CYS A 38 -11.788 -11.259 5.771 1.00 0.00 N ATOM 579 CA CYS A 38 -11.315 -12.090 4.671 1.00 0.00 C ATOM 580 C CYS A 38 -9.877 -12.542 4.911 1.00 0.00 C ATOM 581 O CYS A 38 -8.935 -11.751 4.861 1.00 0.00 O ATOM 582 CB CYS A 38 -11.407 -11.325 3.350 1.00 0.00 C ATOM 583 SG CYS A 38 -11.514 -12.394 1.878 1.00 0.00 S ATOM 0 H CYS A 38 -12.163 -10.355 5.485 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.951 -12.973 4.616 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -12.282 -10.676 3.379 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -10.534 -10.680 3.255 1.00 0.00 H new ATOM 0 HG CYS A 38 -12.523 -12.025 1.146 1.00 0.00 H new ATOM 588 N PRO A 39 -9.703 -13.845 5.177 1.00 0.00 N ATOM 589 CA PRO A 39 -8.384 -14.433 5.428 1.00 0.00 C ATOM 590 C PRO A 39 -7.518 -14.472 4.174 1.00 0.00 C ATOM 591 O PRO A 39 -6.390 -14.965 4.200 1.00 0.00 O ATOM 592 CB PRO A 39 -8.711 -15.853 5.897 1.00 0.00 C ATOM 593 CG PRO A 39 -10.040 -16.154 5.294 1.00 0.00 C ATOM 594 CD PRO A 39 -10.781 -14.846 5.251 1.00 0.00 C ATOM 0 HA PRO A 39 -7.811 -13.853 6.151 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.955 -16.564 5.564 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -8.747 -15.912 6.985 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -9.929 -16.573 4.294 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.581 -16.890 5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -11.443 -14.788 4.387 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.400 -14.705 6.137 1.00 0.00 H new ATOM 602 N LYS A 40 -8.053 -13.951 3.075 1.00 0.00 N ATOM 603 CA LYS A 40 -7.329 -13.925 1.809 1.00 0.00 C ATOM 604 C LYS A 40 -6.723 -12.547 1.557 1.00 0.00 C ATOM 605 O LYS A 40 -5.586 -12.433 1.100 1.00 0.00 O ATOM 606 CB LYS A 40 -8.262 -14.302 0.656 1.00 0.00 C ATOM 607 CG LYS A 40 -8.917 -15.661 0.824 1.00 0.00 C ATOM 608 CD LYS A 40 -7.923 -16.790 0.609 1.00 0.00 C ATOM 609 CE LYS A 40 -7.574 -16.951 -0.863 1.00 0.00 C ATOM 610 NZ LYS A 40 -8.731 -17.449 -1.657 1.00 0.00 N ATOM 0 H LYS A 40 -8.986 -13.541 3.035 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.520 -14.654 1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.038 -13.542 0.565 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.696 -14.293 -0.276 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.346 -15.738 1.823 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.740 -15.759 0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.016 -16.591 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.341 -17.722 0.989 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.244 -15.993 -1.265 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.739 -17.644 -0.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.393 -17.816 -2.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.210 -18.210 -1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -9.399 -16.670 -1.823 1.00 0.00 H new ATOM 624 N CYS A 41 -7.489 -11.505 1.860 1.00 0.00 N ATOM 625 CA CYS A 41 -7.028 -10.135 1.668 1.00 0.00 C ATOM 626 C CYS A 41 -6.968 -9.390 2.998 1.00 0.00 C ATOM 627 O CYS A 41 -6.019 -8.654 3.267 1.00 0.00 O ATOM 628 CB CYS A 41 -7.952 -9.396 0.697 1.00 0.00 C ATOM 629 SG CYS A 41 -9.678 -9.268 1.265 1.00 0.00 S ATOM 0 H CYS A 41 -8.432 -11.583 2.240 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.023 -10.171 1.247 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.560 -8.393 0.532 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.934 -9.908 -0.265 1.00 0.00 H new ATOM 0 HG CYS A 41 -10.229 -10.445 1.246 1.00 0.00 H new ATOM 634 N GLY A 42 -7.989 -9.586 3.827 1.00 0.00 N ATOM 635 CA GLY A 42 -8.033 -8.926 5.119 1.00 0.00 C ATOM 636 C GLY A 42 -9.114 -7.866 5.191 1.00 0.00 C ATOM 637 O GLY A 42 -8.904 -6.792 5.756 1.00 0.00 O ATOM 0 H GLY A 42 -8.786 -10.190 3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.205 -9.669 5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.065 -8.468 5.323 1.00 0.00 H new ATOM 641 N LYS A 43 -10.274 -8.166 4.618 1.00 0.00 N ATOM 642 CA LYS A 43 -11.393 -7.231 4.619 1.00 0.00 C ATOM 643 C LYS A 43 -12.387 -7.573 5.724 1.00 0.00 C ATOM 644 O LYS A 43 -12.907 -8.689 5.780 1.00 0.00 O ATOM 645 CB LYS A 43 -12.098 -7.245 3.261 1.00 0.00 C ATOM 646 CG LYS A 43 -13.228 -6.236 3.151 1.00 0.00 C ATOM 647 CD LYS A 43 -12.705 -4.848 2.818 1.00 0.00 C ATOM 648 CE LYS A 43 -12.511 -4.010 4.073 1.00 0.00 C ATOM 649 NZ LYS A 43 -11.537 -2.905 3.856 1.00 0.00 N ATOM 0 H LYS A 43 -10.464 -9.050 4.146 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.999 -6.232 4.806 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.366 -7.044 2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.495 -8.243 3.077 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.929 -6.556 2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.780 -6.202 4.090 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.758 -4.933 2.286 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.403 -4.346 2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.469 -3.594 4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.162 -4.648 4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.432 -2.357 4.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.615 -3.303 3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.882 -2.282 3.098 1.00 0.00 H new ATOM 663 N CYS A 44 -12.649 -6.608 6.599 1.00 0.00 N ATOM 664 CA CYS A 44 -13.582 -6.808 7.702 1.00 0.00 C ATOM 665 C CYS A 44 -15.004 -6.994 7.184 1.00 0.00 C ATOM 666 O CYS A 44 -15.324 -6.597 6.063 1.00 0.00 O ATOM 667 CB CYS A 44 -13.527 -5.622 8.665 1.00 0.00 C ATOM 668 SG CYS A 44 -13.914 -4.030 7.898 1.00 0.00 S ATOM 0 H CYS A 44 -12.228 -5.679 6.566 1.00 0.00 H new ATOM 0 HA CYS A 44 -13.288 -7.712 8.235 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -14.226 -5.799 9.483 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.530 -5.569 9.103 1.00 0.00 H new ATOM 0 HG CYS A 44 -13.844 -3.089 8.792 1.00 0.00 H new ATOM 674 N TYR A 45 -15.853 -7.600 8.006 1.00 0.00 N ATOM 675 CA TYR A 45 -17.241 -7.842 7.629 1.00 0.00 C ATOM 676 C TYR A 45 -18.087 -8.178 8.853 1.00 0.00 C ATOM 677 O TYR A 45 -17.935 -9.241 9.455 1.00 0.00 O ATOM 678 CB TYR A 45 -17.324 -8.979 6.610 1.00 0.00 C ATOM 679 CG TYR A 45 -17.110 -8.530 5.182 1.00 0.00 C ATOM 680 CD1 TYR A 45 -18.151 -7.982 4.442 1.00 0.00 C ATOM 681 CD2 TYR A 45 -15.868 -8.654 4.573 1.00 0.00 C ATOM 682 CE1 TYR A 45 -17.960 -7.571 3.137 1.00 0.00 C ATOM 683 CE2 TYR A 45 -15.668 -8.244 3.269 1.00 0.00 C ATOM 684 CZ TYR A 45 -16.717 -7.703 2.555 1.00 0.00 C ATOM 685 OH TYR A 45 -16.522 -7.295 1.256 1.00 0.00 O ATOM 0 H TYR A 45 -15.605 -7.933 8.938 1.00 0.00 H new ATOM 0 HA TYR A 45 -17.633 -6.930 7.178 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -16.579 -9.734 6.860 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -18.301 -9.456 6.689 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -19.126 -7.876 4.895 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -15.045 -9.078 5.128 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -18.780 -7.148 2.575 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -14.695 -8.347 2.811 1.00 0.00 H new ATOM 0 HH TYR A 45 -15.590 -7.456 0.999 1.00 0.00 H new ATOM 695 N PHE A 46 -18.980 -7.263 9.217 1.00 0.00 N ATOM 696 CA PHE A 46 -19.851 -7.461 10.369 1.00 0.00 C ATOM 697 C PHE A 46 -20.437 -8.869 10.373 1.00 0.00 C ATOM 698 O PHE A 46 -20.368 -9.579 11.376 1.00 0.00 O ATOM 699 CB PHE A 46 -20.979 -6.427 10.365 1.00 0.00 C ATOM 700 CG PHE A 46 -21.921 -6.563 11.528 1.00 0.00 C ATOM 701 CD1 PHE A 46 -21.524 -6.198 12.804 1.00 0.00 C ATOM 702 CD2 PHE A 46 -23.203 -7.056 11.344 1.00 0.00 C ATOM 703 CE1 PHE A 46 -22.387 -6.321 13.876 1.00 0.00 C ATOM 704 CE2 PHE A 46 -24.071 -7.181 12.412 1.00 0.00 C ATOM 705 CZ PHE A 46 -23.662 -6.814 13.680 1.00 0.00 C ATOM 0 H PHE A 46 -19.119 -6.377 8.730 1.00 0.00 H new ATOM 0 HA PHE A 46 -19.253 -7.333 11.271 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -20.545 -5.427 10.374 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -21.544 -6.521 9.437 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -20.528 -5.813 12.963 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -23.527 -7.346 10.355 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -22.065 -6.032 14.866 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -25.068 -7.565 12.256 1.00 0.00 H new ATOM 0 HZ PHE A 46 -24.338 -6.913 14.516 1.00 0.00 H new ATOM 715 N ARG A 47 -21.015 -9.267 9.244 1.00 0.00 N ATOM 716 CA ARG A 47 -21.615 -10.589 9.116 1.00 0.00 C ATOM 717 C ARG A 47 -20.722 -11.514 8.294 1.00 0.00 C ATOM 718 O ARG A 47 -20.416 -11.231 7.135 1.00 0.00 O ATOM 719 CB ARG A 47 -22.996 -10.486 8.467 1.00 0.00 C ATOM 720 CG ARG A 47 -24.117 -10.222 9.459 1.00 0.00 C ATOM 721 CD ARG A 47 -25.478 -10.538 8.858 1.00 0.00 C ATOM 722 NE ARG A 47 -26.527 -10.584 9.873 1.00 0.00 N ATOM 723 CZ ARG A 47 -27.192 -9.514 10.292 1.00 0.00 C ATOM 724 NH1 ARG A 47 -26.920 -8.319 9.785 1.00 0.00 N ATOM 725 NH2 ARG A 47 -28.134 -9.637 11.219 1.00 0.00 N ATOM 0 H ARG A 47 -21.080 -8.692 8.404 1.00 0.00 H new ATOM 0 HA ARG A 47 -21.722 -11.010 10.116 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -22.981 -9.686 7.727 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -23.207 -11.412 7.932 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -23.963 -10.827 10.353 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.089 -9.178 9.772 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -25.729 -9.784 8.112 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -25.432 -11.496 8.340 1.00 0.00 H new ATOM 0 HE ARG A 47 -26.762 -11.488 10.283 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -26.198 -8.220 9.071 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -27.433 -7.499 10.109 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -28.348 -10.554 11.610 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -28.644 -8.814 11.540 1.00 0.00 H new ATOM 739 N LYS A 48 -20.307 -12.621 8.901 1.00 0.00 N ATOM 740 CA LYS A 48 -19.450 -13.589 8.227 1.00 0.00 C ATOM 741 C LYS A 48 -20.038 -13.988 6.877 1.00 0.00 C ATOM 742 O LYS A 48 -19.342 -13.983 5.862 1.00 0.00 O ATOM 743 CB LYS A 48 -19.262 -14.831 9.100 1.00 0.00 C ATOM 744 CG LYS A 48 -18.295 -15.845 8.516 1.00 0.00 C ATOM 745 CD LYS A 48 -18.443 -17.204 9.180 1.00 0.00 C ATOM 746 CE LYS A 48 -17.574 -18.253 8.503 1.00 0.00 C ATOM 747 NZ LYS A 48 -17.975 -19.635 8.884 1.00 0.00 N ATOM 0 H LYS A 48 -20.551 -12.870 9.860 1.00 0.00 H new ATOM 0 HA LYS A 48 -18.480 -13.122 8.058 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -18.903 -14.523 10.082 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -20.230 -15.309 9.250 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -18.471 -15.942 7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -17.273 -15.488 8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -18.170 -17.128 10.232 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -19.487 -17.516 9.144 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.644 -18.140 7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.531 -18.090 8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -17.359 -20.321 8.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.884 -19.752 9.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -18.963 -19.800 8.603 1.00 0.00 H new ATOM 761 N GLU A 49 -21.322 -14.330 6.874 1.00 0.00 N ATOM 762 CA GLU A 49 -22.002 -14.731 5.647 1.00 0.00 C ATOM 763 C GLU A 49 -21.567 -13.858 4.474 1.00 0.00 C ATOM 764 O GLU A 49 -21.049 -14.355 3.475 1.00 0.00 O ATOM 765 CB GLU A 49 -23.519 -14.644 5.827 1.00 0.00 C ATOM 766 CG GLU A 49 -24.300 -14.926 4.555 1.00 0.00 C ATOM 767 CD GLU A 49 -25.684 -15.481 4.831 1.00 0.00 C ATOM 768 OE1 GLU A 49 -25.776 -16.603 5.372 1.00 0.00 O ATOM 769 OE2 GLU A 49 -26.675 -14.794 4.505 1.00 0.00 O ATOM 0 H GLU A 49 -21.912 -14.338 7.706 1.00 0.00 H new ATOM 0 HA GLU A 49 -21.728 -15.763 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -23.826 -15.352 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -23.777 -13.649 6.189 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -24.390 -14.006 3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -23.744 -15.635 3.941 1.00 0.00 H new ATOM 776 N ASN A 50 -21.782 -12.553 4.603 1.00 0.00 N ATOM 777 CA ASN A 50 -21.414 -11.610 3.554 1.00 0.00 C ATOM 778 C ASN A 50 -19.973 -11.830 3.105 1.00 0.00 C ATOM 779 O ASN A 50 -19.707 -12.067 1.926 1.00 0.00 O ATOM 780 CB ASN A 50 -21.593 -10.172 4.045 1.00 0.00 C ATOM 781 CG ASN A 50 -23.051 -9.805 4.244 1.00 0.00 C ATOM 782 OD1 ASN A 50 -23.541 -9.753 5.372 1.00 0.00 O ATOM 783 ND2 ASN A 50 -23.751 -9.550 3.145 1.00 0.00 N ATOM 0 H ASN A 50 -22.209 -12.125 5.424 1.00 0.00 H new ATOM 0 HA ASN A 50 -22.071 -11.780 2.701 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -21.057 -10.043 4.985 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -21.144 -9.487 3.326 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -24.737 -9.299 3.215 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -23.303 -9.605 2.230 1.00 0.00 H new ATOM 790 N LEU A 51 -19.045 -11.752 4.053 1.00 0.00 N ATOM 791 CA LEU A 51 -17.630 -11.944 3.757 1.00 0.00 C ATOM 792 C LEU A 51 -17.426 -13.129 2.819 1.00 0.00 C ATOM 793 O LEU A 51 -16.880 -12.982 1.725 1.00 0.00 O ATOM 794 CB LEU A 51 -16.843 -12.161 5.051 1.00 0.00 C ATOM 795 CG LEU A 51 -15.401 -12.643 4.886 1.00 0.00 C ATOM 796 CD1 LEU A 51 -14.570 -11.600 4.155 1.00 0.00 C ATOM 797 CD2 LEU A 51 -14.787 -12.962 6.242 1.00 0.00 C ATOM 0 H LEU A 51 -19.248 -11.557 5.033 1.00 0.00 H new ATOM 0 HA LEU A 51 -17.262 -11.045 3.262 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -16.830 -11.223 5.607 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -17.380 -12.887 5.662 1.00 0.00 H new ATOM 0 HG LEU A 51 -15.409 -13.555 4.289 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.547 -11.960 4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.998 -11.420 3.169 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -14.569 -10.671 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.761 -13.303 6.106 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -14.792 -12.066 6.863 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -15.368 -13.745 6.729 1.00 0.00 H new ATOM 809 N LEU A 52 -17.869 -14.304 3.254 1.00 0.00 N ATOM 810 CA LEU A 52 -17.738 -15.515 2.452 1.00 0.00 C ATOM 811 C LEU A 52 -18.079 -15.241 0.991 1.00 0.00 C ATOM 812 O LEU A 52 -17.381 -15.696 0.085 1.00 0.00 O ATOM 813 CB LEU A 52 -18.647 -16.616 3.002 1.00 0.00 C ATOM 814 CG LEU A 52 -18.242 -17.208 4.352 1.00 0.00 C ATOM 815 CD1 LEU A 52 -19.356 -18.083 4.906 1.00 0.00 C ATOM 816 CD2 LEU A 52 -16.952 -18.003 4.221 1.00 0.00 C ATOM 0 H LEU A 52 -18.322 -14.443 4.157 1.00 0.00 H new ATOM 0 HA LEU A 52 -16.701 -15.847 2.508 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -19.657 -16.215 3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -18.689 -17.424 2.271 1.00 0.00 H new ATOM 0 HG LEU A 52 -18.070 -16.388 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -19.050 -18.496 5.867 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -20.257 -17.484 5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -19.560 -18.897 4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -16.679 -18.417 5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.096 -18.815 3.508 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -16.155 -17.348 3.869 1.00 0.00 H new ATOM 828 N GLU A 53 -19.155 -14.493 0.770 1.00 0.00 N ATOM 829 CA GLU A 53 -19.587 -14.158 -0.582 1.00 0.00 C ATOM 830 C GLU A 53 -18.535 -13.314 -1.296 1.00 0.00 C ATOM 831 O GLU A 53 -18.266 -13.509 -2.481 1.00 0.00 O ATOM 832 CB GLU A 53 -20.919 -13.406 -0.544 1.00 0.00 C ATOM 833 CG GLU A 53 -22.080 -14.249 -0.044 1.00 0.00 C ATOM 834 CD GLU A 53 -23.427 -13.703 -0.477 1.00 0.00 C ATOM 835 OE1 GLU A 53 -23.584 -13.396 -1.678 1.00 0.00 O ATOM 836 OE2 GLU A 53 -24.323 -13.582 0.384 1.00 0.00 O ATOM 0 H GLU A 53 -19.743 -14.108 1.509 1.00 0.00 H new ATOM 0 HA GLU A 53 -19.718 -15.088 -1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -20.814 -12.531 0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -21.150 -13.042 -1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -21.970 -15.268 -0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.045 -14.299 1.044 1.00 0.00 H new ATOM 843 N HIS A 54 -17.942 -12.375 -0.565 1.00 0.00 N ATOM 844 CA HIS A 54 -16.919 -11.500 -1.127 1.00 0.00 C ATOM 845 C HIS A 54 -15.750 -12.314 -1.674 1.00 0.00 C ATOM 846 O HIS A 54 -15.354 -12.150 -2.828 1.00 0.00 O ATOM 847 CB HIS A 54 -16.420 -10.517 -0.068 1.00 0.00 C ATOM 848 CG HIS A 54 -14.987 -10.120 -0.248 1.00 0.00 C ATOM 849 ND1 HIS A 54 -13.848 -10.675 0.229 1.00 0.00 N flip ATOM 850 CD2 HIS A 54 -14.597 -9.028 -0.993 1.00 0.00 C flip ATOM 851 CE1 HIS A 54 -12.801 -9.917 -0.234 1.00 0.00 C flip ATOM 852 NE2 HIS A 54 -13.280 -8.929 -0.969 1.00 0.00 N flip ATOM 0 H HIS A 54 -18.152 -12.201 0.418 1.00 0.00 H new ATOM 0 HA HIS A 54 -17.366 -10.940 -1.949 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -17.042 -9.622 -0.092 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -16.544 -10.964 0.918 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -15.264 -8.358 -1.515 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.756 -10.099 -0.031 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -12.727 -8.212 -1.438 1.00 0.00 H new ATOM 860 N GLU A 55 -15.203 -13.191 -0.838 1.00 0.00 N ATOM 861 CA GLU A 55 -14.078 -14.028 -1.239 1.00 0.00 C ATOM 862 C GLU A 55 -14.246 -14.513 -2.676 1.00 0.00 C ATOM 863 O GLU A 55 -13.307 -14.472 -3.470 1.00 0.00 O ATOM 864 CB GLU A 55 -13.945 -15.226 -0.297 1.00 0.00 C ATOM 865 CG GLU A 55 -13.094 -14.943 0.930 1.00 0.00 C ATOM 866 CD GLU A 55 -12.993 -16.139 1.858 1.00 0.00 C ATOM 867 OE1 GLU A 55 -14.019 -16.506 2.468 1.00 0.00 O ATOM 868 OE2 GLU A 55 -11.887 -16.707 1.973 1.00 0.00 O ATOM 0 H GLU A 55 -15.520 -13.340 0.120 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.171 -13.426 -1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.939 -15.537 0.024 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.511 -16.062 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.094 -14.648 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.518 -14.100 1.475 1.00 0.00 H new ATOM 875 N ALA A 56 -15.450 -14.974 -3.002 1.00 0.00 N ATOM 876 CA ALA A 56 -15.742 -15.466 -4.342 1.00 0.00 C ATOM 877 C ALA A 56 -16.036 -14.314 -5.298 1.00 0.00 C ATOM 878 O ALA A 56 -15.507 -14.266 -6.409 1.00 0.00 O ATOM 879 CB ALA A 56 -16.914 -16.435 -4.305 1.00 0.00 C ATOM 0 H ALA A 56 -16.238 -15.017 -2.356 1.00 0.00 H new ATOM 0 HA ALA A 56 -14.861 -15.993 -4.709 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -17.121 -16.794 -5.313 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -16.667 -17.280 -3.662 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -17.795 -15.926 -3.913 1.00 0.00 H new ATOM 885 N ARG A 57 -16.883 -13.389 -4.859 1.00 0.00 N ATOM 886 CA ARG A 57 -17.248 -12.238 -5.676 1.00 0.00 C ATOM 887 C ARG A 57 -16.006 -11.484 -6.140 1.00 0.00 C ATOM 888 O ARG A 57 -15.720 -11.413 -7.335 1.00 0.00 O ATOM 889 CB ARG A 57 -18.165 -11.298 -4.891 1.00 0.00 C ATOM 890 CG ARG A 57 -19.609 -11.768 -4.829 1.00 0.00 C ATOM 891 CD ARG A 57 -20.428 -11.206 -5.981 1.00 0.00 C ATOM 892 NE ARG A 57 -20.222 -11.956 -7.216 1.00 0.00 N ATOM 893 CZ ARG A 57 -20.778 -11.628 -8.377 1.00 0.00 C ATOM 894 NH1 ARG A 57 -21.569 -10.567 -8.461 1.00 0.00 N ATOM 895 NH2 ARG A 57 -20.542 -12.361 -9.458 1.00 0.00 N ATOM 0 H ARG A 57 -17.329 -13.414 -3.942 1.00 0.00 H new ATOM 0 HA ARG A 57 -17.780 -12.603 -6.555 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -17.782 -11.194 -3.876 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -18.133 -10.308 -5.347 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -19.640 -12.857 -4.857 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -20.052 -11.461 -3.882 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -21.485 -11.225 -5.717 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -20.159 -10.162 -6.142 1.00 0.00 H new ATOM 0 HE ARG A 57 -19.618 -12.777 -7.186 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -21.752 -10.000 -7.633 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -21.995 -10.318 -9.354 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -19.933 -13.177 -9.398 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -20.969 -12.108 -10.349 1.00 0.00 H new ATOM 909 N ASN A 58 -15.271 -10.921 -5.186 1.00 0.00 N ATOM 910 CA ASN A 58 -14.059 -10.171 -5.497 1.00 0.00 C ATOM 911 C ASN A 58 -13.030 -10.313 -4.379 1.00 0.00 C ATOM 912 O ASN A 58 -13.383 -10.508 -3.216 1.00 0.00 O ATOM 913 CB ASN A 58 -14.391 -8.694 -5.715 1.00 0.00 C ATOM 914 CG ASN A 58 -13.151 -7.822 -5.755 1.00 0.00 C ATOM 915 OD1 ASN A 58 -12.729 -7.277 -4.736 1.00 0.00 O ATOM 916 ND2 ASN A 58 -12.561 -7.688 -6.937 1.00 0.00 N ATOM 0 H ASN A 58 -15.493 -10.970 -4.192 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.633 -10.580 -6.413 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -14.941 -8.582 -6.650 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -15.048 -8.350 -4.916 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.722 -7.114 -7.026 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.946 -8.159 -7.756 1.00 0.00 H new ATOM 1031 N VAL A 66 5.781 -12.079 -12.766 1.00 0.00 N ATOM 1032 CA VAL A 66 6.749 -11.290 -12.014 1.00 0.00 C ATOM 1033 C VAL A 66 7.864 -10.779 -12.920 1.00 0.00 C ATOM 1034 O VAL A 66 8.079 -11.302 -14.013 1.00 0.00 O ATOM 1035 CB VAL A 66 7.370 -12.110 -10.867 1.00 0.00 C ATOM 1036 CG1 VAL A 66 6.319 -12.445 -9.820 1.00 0.00 C ATOM 1037 CG2 VAL A 66 8.019 -13.375 -11.407 1.00 0.00 C ATOM 0 HA VAL A 66 6.209 -10.442 -11.594 1.00 0.00 H new ATOM 0 HB VAL A 66 8.143 -11.508 -10.391 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.776 -13.024 -9.018 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.906 -11.523 -9.411 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.521 -13.028 -10.279 1.00 0.00 H new ATOM 0 HG21 VAL A 66 8.452 -13.942 -10.583 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.267 -13.983 -11.910 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.803 -13.108 -12.116 1.00 0.00 H new ATOM 1047 N PHE A 67 8.570 -9.752 -12.458 1.00 0.00 N ATOM 1048 CA PHE A 67 9.663 -9.169 -13.226 1.00 0.00 C ATOM 1049 C PHE A 67 11.010 -9.492 -12.588 1.00 0.00 C ATOM 1050 O PHE A 67 11.078 -9.923 -11.436 1.00 0.00 O ATOM 1051 CB PHE A 67 9.487 -7.652 -13.333 1.00 0.00 C ATOM 1052 CG PHE A 67 8.217 -7.243 -14.023 1.00 0.00 C ATOM 1053 CD1 PHE A 67 6.991 -7.410 -13.401 1.00 0.00 C ATOM 1054 CD2 PHE A 67 8.251 -6.692 -15.294 1.00 0.00 C ATOM 1055 CE1 PHE A 67 5.820 -7.034 -14.033 1.00 0.00 C ATOM 1056 CE2 PHE A 67 7.084 -6.314 -15.931 1.00 0.00 C ATOM 1057 CZ PHE A 67 5.867 -6.486 -15.300 1.00 0.00 C ATOM 0 H PHE A 67 8.404 -9.307 -11.555 1.00 0.00 H new ATOM 0 HA PHE A 67 9.642 -9.602 -14.226 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.502 -7.221 -12.332 1.00 0.00 H new ATOM 0 HB3 PHE A 67 10.336 -7.233 -13.873 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.949 -7.839 -12.411 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.200 -6.556 -15.792 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.870 -7.169 -13.537 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.123 -5.885 -16.921 1.00 0.00 H new ATOM 0 HZ PHE A 67 4.954 -6.192 -15.797 1.00 0.00 H new ATOM 1067 N THR A 68 12.083 -9.282 -13.345 1.00 0.00 N ATOM 1068 CA THR A 68 13.429 -9.552 -12.855 1.00 0.00 C ATOM 1069 C THR A 68 14.336 -8.342 -13.043 1.00 0.00 C ATOM 1070 O THR A 68 14.431 -7.789 -14.140 1.00 0.00 O ATOM 1071 CB THR A 68 14.054 -10.765 -13.571 1.00 0.00 C ATOM 1072 OG1 THR A 68 13.249 -11.929 -13.357 1.00 0.00 O ATOM 1073 CG2 THR A 68 15.467 -11.020 -13.068 1.00 0.00 C ATOM 0 H THR A 68 12.046 -8.926 -14.300 1.00 0.00 H new ATOM 0 HA THR A 68 13.340 -9.773 -11.791 1.00 0.00 H new ATOM 0 HB THR A 68 14.098 -10.546 -14.638 1.00 0.00 H new ATOM 0 HG1 THR A 68 13.652 -12.695 -13.817 1.00 0.00 H new ATOM 0 HG21 THR A 68 15.888 -11.881 -13.587 1.00 0.00 H new ATOM 0 HG22 THR A 68 16.085 -10.143 -13.259 1.00 0.00 H new ATOM 0 HG23 THR A 68 15.441 -11.220 -11.997 1.00 0.00 H new ATOM 1081 N CYS A 69 15.002 -7.935 -11.968 1.00 0.00 N ATOM 1082 CA CYS A 69 15.903 -6.789 -12.015 1.00 0.00 C ATOM 1083 C CYS A 69 17.003 -7.004 -13.050 1.00 0.00 C ATOM 1084 O CYS A 69 17.159 -8.101 -13.587 1.00 0.00 O ATOM 1085 CB CYS A 69 16.524 -6.546 -10.638 1.00 0.00 C ATOM 1086 SG CYS A 69 17.193 -4.867 -10.410 1.00 0.00 S ATOM 0 H CYS A 69 14.935 -8.382 -11.053 1.00 0.00 H new ATOM 0 HA CYS A 69 15.322 -5.913 -12.305 1.00 0.00 H new ATOM 0 HB2 CYS A 69 15.770 -6.732 -9.873 1.00 0.00 H new ATOM 0 HB3 CYS A 69 17.324 -7.269 -10.479 1.00 0.00 H new ATOM 0 HG CYS A 69 18.313 -4.932 -9.754 1.00 0.00 H new ATOM 1091 N SER A 70 17.764 -5.949 -13.325 1.00 0.00 N ATOM 1092 CA SER A 70 18.847 -6.020 -14.298 1.00 0.00 C ATOM 1093 C SER A 70 20.202 -5.856 -13.616 1.00 0.00 C ATOM 1094 O SER A 70 21.236 -5.761 -14.277 1.00 0.00 O ATOM 1095 CB SER A 70 18.670 -4.943 -15.370 1.00 0.00 C ATOM 1096 OG SER A 70 19.551 -5.158 -16.459 1.00 0.00 O ATOM 0 H SER A 70 17.650 -5.035 -12.887 1.00 0.00 H new ATOM 0 HA SER A 70 18.813 -7.002 -14.770 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.640 -4.945 -15.726 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.855 -3.960 -14.937 1.00 0.00 H new ATOM 0 HG SER A 70 20.408 -5.496 -16.125 1.00 0.00 H new ATOM 1102 N VAL A 71 20.188 -5.825 -12.287 1.00 0.00 N ATOM 1103 CA VAL A 71 21.415 -5.674 -11.513 1.00 0.00 C ATOM 1104 C VAL A 71 21.567 -6.801 -10.498 1.00 0.00 C ATOM 1105 O VAL A 71 22.621 -7.430 -10.406 1.00 0.00 O ATOM 1106 CB VAL A 71 21.448 -4.324 -10.772 1.00 0.00 C ATOM 1107 CG1 VAL A 71 22.752 -4.168 -10.004 1.00 0.00 C ATOM 1108 CG2 VAL A 71 21.256 -3.175 -11.751 1.00 0.00 C ATOM 0 H VAL A 71 19.341 -5.902 -11.724 1.00 0.00 H new ATOM 0 HA VAL A 71 22.243 -5.713 -12.221 1.00 0.00 H new ATOM 0 HB VAL A 71 20.627 -4.302 -10.055 1.00 0.00 H new ATOM 0 HG11 VAL A 71 22.757 -3.208 -9.487 1.00 0.00 H new ATOM 0 HG12 VAL A 71 22.844 -4.973 -9.275 1.00 0.00 H new ATOM 0 HG13 VAL A 71 23.591 -4.210 -10.699 1.00 0.00 H new ATOM 0 HG21 VAL A 71 21.282 -2.229 -11.211 1.00 0.00 H new ATOM 0 HG22 VAL A 71 22.055 -3.192 -12.493 1.00 0.00 H new ATOM 0 HG23 VAL A 71 20.294 -3.281 -12.252 1.00 0.00 H new ATOM 1118 N CYS A 72 20.506 -7.053 -9.739 1.00 0.00 N ATOM 1119 CA CYS A 72 20.520 -8.105 -8.730 1.00 0.00 C ATOM 1120 C CYS A 72 19.578 -9.242 -9.116 1.00 0.00 C ATOM 1121 O CYS A 72 19.532 -10.276 -8.450 1.00 0.00 O ATOM 1122 CB CYS A 72 20.120 -7.539 -7.366 1.00 0.00 C ATOM 1123 SG CYS A 72 18.460 -6.790 -7.329 1.00 0.00 S ATOM 0 H CYS A 72 19.625 -6.543 -9.804 1.00 0.00 H new ATOM 0 HA CYS A 72 21.534 -8.501 -8.669 1.00 0.00 H new ATOM 0 HB2 CYS A 72 20.163 -8.338 -6.626 1.00 0.00 H new ATOM 0 HB3 CYS A 72 20.852 -6.789 -7.067 1.00 0.00 H new ATOM 0 HG CYS A 72 18.213 -6.342 -6.134 1.00 0.00 H new ATOM 1128 N GLN A 73 18.829 -9.042 -10.196 1.00 0.00 N ATOM 1129 CA GLN A 73 17.888 -10.049 -10.670 1.00 0.00 C ATOM 1130 C GLN A 73 16.795 -10.302 -9.638 1.00 0.00 C ATOM 1131 O GLN A 73 16.331 -11.430 -9.475 1.00 0.00 O ATOM 1132 CB GLN A 73 18.622 -11.355 -10.983 1.00 0.00 C ATOM 1133 CG GLN A 73 19.877 -11.163 -11.819 1.00 0.00 C ATOM 1134 CD GLN A 73 19.667 -10.205 -12.975 1.00 0.00 C ATOM 1135 OE1 GLN A 73 18.962 -10.517 -13.935 1.00 0.00 O ATOM 1136 NE2 GLN A 73 20.279 -9.029 -12.889 1.00 0.00 N ATOM 0 H GLN A 73 18.856 -8.192 -10.759 1.00 0.00 H new ATOM 0 HA GLN A 73 17.422 -9.674 -11.581 1.00 0.00 H new ATOM 0 HB2 GLN A 73 18.891 -11.844 -10.047 1.00 0.00 H new ATOM 0 HB3 GLN A 73 17.944 -12.026 -11.510 1.00 0.00 H new ATOM 0 HG2 GLN A 73 20.679 -10.789 -11.183 1.00 0.00 H new ATOM 0 HG3 GLN A 73 20.202 -12.129 -12.207 1.00 0.00 H new ATOM 0 HE21 GLN A 73 20.854 -8.812 -12.075 1.00 0.00 H new ATOM 0 HE22 GLN A 73 20.174 -8.343 -13.637 1.00 0.00 H new ATOM 1145 N GLU A 74 16.387 -9.244 -8.944 1.00 0.00 N ATOM 1146 CA GLU A 74 15.348 -9.352 -7.927 1.00 0.00 C ATOM 1147 C GLU A 74 14.041 -9.852 -8.535 1.00 0.00 C ATOM 1148 O GLU A 74 13.966 -10.131 -9.732 1.00 0.00 O ATOM 1149 CB GLU A 74 15.123 -7.998 -7.250 1.00 0.00 C ATOM 1150 CG GLU A 74 14.769 -8.106 -5.776 1.00 0.00 C ATOM 1151 CD GLU A 74 15.534 -9.209 -5.071 1.00 0.00 C ATOM 1152 OE1 GLU A 74 16.770 -9.273 -5.239 1.00 0.00 O ATOM 1153 OE2 GLU A 74 14.899 -10.008 -4.352 1.00 0.00 O ATOM 0 H GLU A 74 16.760 -8.303 -9.068 1.00 0.00 H new ATOM 0 HA GLU A 74 15.680 -10.073 -7.180 1.00 0.00 H new ATOM 0 HB2 GLU A 74 16.024 -7.394 -7.355 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.323 -7.470 -7.769 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.976 -7.155 -5.286 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.699 -8.290 -5.676 1.00 0.00 H new ATOM 1160 N THR A 75 13.012 -9.964 -7.701 1.00 0.00 N ATOM 1161 CA THR A 75 11.708 -10.432 -8.155 1.00 0.00 C ATOM 1162 C THR A 75 10.611 -9.437 -7.796 1.00 0.00 C ATOM 1163 O THR A 75 10.470 -9.044 -6.637 1.00 0.00 O ATOM 1164 CB THR A 75 11.361 -11.804 -7.546 1.00 0.00 C ATOM 1165 OG1 THR A 75 11.669 -11.811 -6.148 1.00 0.00 O ATOM 1166 CG2 THR A 75 12.127 -12.916 -8.245 1.00 0.00 C ATOM 0 H THR A 75 13.056 -9.737 -6.708 1.00 0.00 H new ATOM 0 HA THR A 75 11.766 -10.528 -9.239 1.00 0.00 H new ATOM 0 HB THR A 75 10.294 -11.978 -7.683 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.345 -10.982 -5.737 1.00 0.00 H new ATOM 0 HG21 THR A 75 11.865 -13.875 -7.798 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.868 -12.927 -9.304 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.198 -12.745 -8.136 1.00 0.00 H new ATOM 1174 N PHE A 76 9.835 -9.032 -8.796 1.00 0.00 N ATOM 1175 CA PHE A 76 8.749 -8.082 -8.585 1.00 0.00 C ATOM 1176 C PHE A 76 7.444 -8.607 -9.175 1.00 0.00 C ATOM 1177 O PHE A 76 7.451 -9.455 -10.068 1.00 0.00 O ATOM 1178 CB PHE A 76 9.098 -6.730 -9.210 1.00 0.00 C ATOM 1179 CG PHE A 76 10.483 -6.254 -8.877 1.00 0.00 C ATOM 1180 CD1 PHE A 76 11.588 -6.790 -9.519 1.00 0.00 C ATOM 1181 CD2 PHE A 76 10.681 -5.272 -7.920 1.00 0.00 C ATOM 1182 CE1 PHE A 76 12.864 -6.355 -9.215 1.00 0.00 C ATOM 1183 CE2 PHE A 76 11.954 -4.832 -7.612 1.00 0.00 C ATOM 1184 CZ PHE A 76 13.047 -5.375 -8.259 1.00 0.00 C ATOM 0 H PHE A 76 9.938 -9.347 -9.761 1.00 0.00 H new ATOM 0 HA PHE A 76 8.615 -7.954 -7.511 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.998 -6.803 -10.293 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.376 -5.986 -8.873 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.450 -7.557 -10.266 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.831 -4.846 -7.409 1.00 0.00 H new ATOM 0 HE1 PHE A 76 13.716 -6.780 -9.724 1.00 0.00 H new ATOM 0 HE2 PHE A 76 12.094 -4.064 -6.866 1.00 0.00 H new ATOM 0 HZ PHE A 76 14.043 -5.034 -8.018 1.00 0.00 H new ATOM 1194 N ARG A 77 6.326 -8.096 -8.671 1.00 0.00 N ATOM 1195 CA ARG A 77 5.012 -8.514 -9.146 1.00 0.00 C ATOM 1196 C ARG A 77 4.513 -7.587 -10.250 1.00 0.00 C ATOM 1197 O ARG A 77 3.774 -8.007 -11.141 1.00 0.00 O ATOM 1198 CB ARG A 77 4.010 -8.534 -7.990 1.00 0.00 C ATOM 1199 CG ARG A 77 3.809 -7.177 -7.336 1.00 0.00 C ATOM 1200 CD ARG A 77 4.697 -7.012 -6.112 1.00 0.00 C ATOM 1201 NE ARG A 77 4.122 -6.085 -5.140 1.00 0.00 N ATOM 1202 CZ ARG A 77 4.406 -6.112 -3.843 1.00 0.00 C ATOM 1203 NH1 ARG A 77 5.253 -7.013 -3.364 1.00 0.00 N ATOM 1204 NH2 ARG A 77 3.843 -5.235 -3.021 1.00 0.00 N ATOM 0 H ARG A 77 6.303 -7.392 -7.934 1.00 0.00 H new ATOM 0 HA ARG A 77 5.105 -9.520 -9.554 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.050 -8.896 -8.358 1.00 0.00 H new ATOM 0 HB3 ARG A 77 4.351 -9.244 -7.237 1.00 0.00 H new ATOM 0 HG2 ARG A 77 4.029 -6.389 -8.056 1.00 0.00 H new ATOM 0 HG3 ARG A 77 2.764 -7.062 -7.047 1.00 0.00 H new ATOM 0 HD2 ARG A 77 4.849 -7.983 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 77 5.678 -6.651 -6.422 1.00 0.00 H new ATOM 0 HE ARG A 77 3.467 -5.379 -5.476 1.00 0.00 H new ATOM 0 HH11 ARG A 77 5.689 -7.688 -3.992 1.00 0.00 H new ATOM 0 HH12 ARG A 77 5.469 -7.031 -2.367 1.00 0.00 H new ATOM 0 HH21 ARG A 77 3.192 -4.540 -3.385 1.00 0.00 H new ATOM 0 HH22 ARG A 77 4.062 -5.256 -2.025 1.00 0.00 H new ATOM 1218 N ARG A 78 4.922 -6.324 -10.184 1.00 0.00 N ATOM 1219 CA ARG A 78 4.515 -5.336 -11.177 1.00 0.00 C ATOM 1220 C ARG A 78 5.730 -4.629 -11.770 1.00 0.00 C ATOM 1221 O ARG A 78 6.827 -4.685 -11.213 1.00 0.00 O ATOM 1222 CB ARG A 78 3.571 -4.310 -10.549 1.00 0.00 C ATOM 1223 CG ARG A 78 2.298 -4.919 -9.983 1.00 0.00 C ATOM 1224 CD ARG A 78 1.669 -4.019 -8.932 1.00 0.00 C ATOM 1225 NE ARG A 78 0.805 -4.764 -8.020 1.00 0.00 N ATOM 1226 CZ ARG A 78 -0.270 -4.244 -7.437 1.00 0.00 C ATOM 1227 NH1 ARG A 78 -0.611 -2.984 -7.670 1.00 0.00 N ATOM 1228 NH2 ARG A 78 -1.006 -4.985 -6.619 1.00 0.00 N ATOM 0 H ARG A 78 5.535 -5.961 -9.454 1.00 0.00 H new ATOM 0 HA ARG A 78 3.992 -5.858 -11.979 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.098 -3.784 -9.752 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.305 -3.566 -11.300 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.586 -5.091 -10.790 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.523 -5.891 -9.544 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.455 -3.522 -8.363 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.089 -3.238 -9.424 1.00 0.00 H new ATOM 0 HE ARG A 78 1.039 -5.736 -7.820 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.048 -2.411 -8.298 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.437 -2.588 -7.221 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.747 -5.955 -6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.831 -4.585 -6.172 1.00 0.00 H new ATOM 1242 N ARG A 79 5.527 -3.965 -12.903 1.00 0.00 N ATOM 1243 CA ARG A 79 6.606 -3.248 -13.573 1.00 0.00 C ATOM 1244 C ARG A 79 7.057 -2.048 -12.745 1.00 0.00 C ATOM 1245 O ARG A 79 8.233 -1.924 -12.403 1.00 0.00 O ATOM 1246 CB ARG A 79 6.156 -2.786 -14.959 1.00 0.00 C ATOM 1247 CG ARG A 79 7.275 -2.183 -15.793 1.00 0.00 C ATOM 1248 CD ARG A 79 7.837 -3.192 -16.783 1.00 0.00 C ATOM 1249 NE ARG A 79 8.967 -3.932 -16.227 1.00 0.00 N ATOM 1250 CZ ARG A 79 9.908 -4.503 -16.971 1.00 0.00 C ATOM 1251 NH1 ARG A 79 9.855 -4.419 -18.293 1.00 0.00 N ATOM 1252 NH2 ARG A 79 10.905 -5.160 -16.392 1.00 0.00 N ATOM 0 H ARG A 79 4.625 -3.908 -13.377 1.00 0.00 H new ATOM 0 HA ARG A 79 7.450 -3.930 -13.682 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.731 -3.635 -15.495 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.361 -2.049 -14.847 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.900 -1.313 -16.332 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.072 -1.833 -15.137 1.00 0.00 H new ATOM 0 HD2 ARG A 79 7.053 -3.891 -17.073 1.00 0.00 H new ATOM 0 HD3 ARG A 79 8.153 -2.674 -17.689 1.00 0.00 H new ATOM 0 HE ARG A 79 9.037 -4.015 -15.213 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.090 -3.915 -18.742 1.00 0.00 H new ATOM 0 HH12 ARG A 79 10.579 -4.858 -18.861 1.00 0.00 H new ATOM 0 HH21 ARG A 79 10.949 -5.227 -15.375 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.627 -5.598 -16.964 1.00 0.00 H new ATOM 1266 N MET A 80 6.114 -1.167 -12.428 1.00 0.00 N ATOM 1267 CA MET A 80 6.415 0.023 -11.640 1.00 0.00 C ATOM 1268 C MET A 80 7.305 -0.323 -10.451 1.00 0.00 C ATOM 1269 O MET A 80 8.329 0.321 -10.224 1.00 0.00 O ATOM 1270 CB MET A 80 5.121 0.677 -11.151 1.00 0.00 C ATOM 1271 CG MET A 80 5.346 1.974 -10.390 1.00 0.00 C ATOM 1272 SD MET A 80 5.404 3.414 -11.474 1.00 0.00 S ATOM 1273 CE MET A 80 7.161 3.512 -11.811 1.00 0.00 C ATOM 0 H MET A 80 5.136 -1.254 -12.704 1.00 0.00 H new ATOM 0 HA MET A 80 6.950 0.726 -12.279 1.00 0.00 H new ATOM 0 HB2 MET A 80 4.477 0.875 -12.008 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.589 -0.024 -10.508 1.00 0.00 H new ATOM 0 HG2 MET A 80 4.547 2.106 -9.660 1.00 0.00 H new ATOM 0 HG3 MET A 80 6.280 1.906 -9.832 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.475 4.556 -11.807 1.00 0.00 H new ATOM 0 HE2 MET A 80 7.710 2.966 -11.044 1.00 0.00 H new ATOM 0 HE3 MET A 80 7.369 3.074 -12.787 1.00 0.00 H new ATOM 1283 N GLU A 81 6.907 -1.342 -9.696 1.00 0.00 N ATOM 1284 CA GLU A 81 7.669 -1.771 -8.530 1.00 0.00 C ATOM 1285 C GLU A 81 9.162 -1.824 -8.845 1.00 0.00 C ATOM 1286 O GLU A 81 9.984 -1.280 -8.106 1.00 0.00 O ATOM 1287 CB GLU A 81 7.188 -3.144 -8.055 1.00 0.00 C ATOM 1288 CG GLU A 81 5.808 -3.118 -7.420 1.00 0.00 C ATOM 1289 CD GLU A 81 5.778 -2.341 -6.119 1.00 0.00 C ATOM 1290 OE1 GLU A 81 6.288 -2.861 -5.104 1.00 0.00 O ATOM 1291 OE2 GLU A 81 5.245 -1.211 -6.115 1.00 0.00 O ATOM 0 H GLU A 81 6.062 -1.885 -9.871 1.00 0.00 H new ATOM 0 HA GLU A 81 7.508 -1.043 -7.735 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.176 -3.829 -8.903 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.903 -3.541 -7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.099 -2.675 -8.119 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.478 -4.140 -7.236 1.00 0.00 H new ATOM 1298 N LEU A 82 9.505 -2.484 -9.946 1.00 0.00 N ATOM 1299 CA LEU A 82 10.898 -2.609 -10.359 1.00 0.00 C ATOM 1300 C LEU A 82 11.526 -1.237 -10.582 1.00 0.00 C ATOM 1301 O LEU A 82 12.693 -1.018 -10.259 1.00 0.00 O ATOM 1302 CB LEU A 82 10.997 -3.442 -11.639 1.00 0.00 C ATOM 1303 CG LEU A 82 12.341 -3.397 -12.366 1.00 0.00 C ATOM 1304 CD1 LEU A 82 13.451 -3.930 -11.472 1.00 0.00 C ATOM 1305 CD2 LEU A 82 12.272 -4.190 -13.663 1.00 0.00 C ATOM 0 H LEU A 82 8.838 -2.940 -10.568 1.00 0.00 H new ATOM 0 HA LEU A 82 11.444 -3.112 -9.561 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.775 -4.480 -11.391 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.222 -3.106 -12.328 1.00 0.00 H new ATOM 0 HG LEU A 82 12.566 -2.359 -12.609 1.00 0.00 H new ATOM 0 HD11 LEU A 82 14.400 -3.890 -12.007 1.00 0.00 H new ATOM 0 HD12 LEU A 82 13.517 -3.320 -10.571 1.00 0.00 H new ATOM 0 HD13 LEU A 82 13.233 -4.962 -11.197 1.00 0.00 H new ATOM 0 HD21 LEU A 82 13.237 -4.147 -14.167 1.00 0.00 H new ATOM 0 HD22 LEU A 82 12.024 -5.228 -13.442 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.505 -3.763 -14.310 1.00 0.00 H new ATOM 1317 N ARG A 83 10.743 -0.317 -11.136 1.00 0.00 N ATOM 1318 CA ARG A 83 11.221 1.034 -11.401 1.00 0.00 C ATOM 1319 C ARG A 83 11.589 1.746 -10.102 1.00 0.00 C ATOM 1320 O ARG A 83 12.588 2.463 -10.035 1.00 0.00 O ATOM 1321 CB ARG A 83 10.157 1.837 -12.151 1.00 0.00 C ATOM 1322 CG ARG A 83 9.700 1.184 -13.445 1.00 0.00 C ATOM 1323 CD ARG A 83 10.792 1.219 -14.503 1.00 0.00 C ATOM 1324 NE ARG A 83 10.715 2.422 -15.328 1.00 0.00 N ATOM 1325 CZ ARG A 83 11.699 2.833 -16.121 1.00 0.00 C ATOM 1326 NH1 ARG A 83 12.828 2.141 -16.195 1.00 0.00 N ATOM 1327 NH2 ARG A 83 11.554 3.938 -16.841 1.00 0.00 N ATOM 0 H ARG A 83 9.775 -0.483 -11.410 1.00 0.00 H new ATOM 0 HA ARG A 83 12.115 0.960 -12.021 1.00 0.00 H new ATOM 0 HB2 ARG A 83 9.294 1.977 -11.500 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.552 2.828 -12.374 1.00 0.00 H new ATOM 0 HG2 ARG A 83 9.413 0.151 -13.251 1.00 0.00 H new ATOM 0 HG3 ARG A 83 8.813 1.696 -13.819 1.00 0.00 H new ATOM 0 HD2 ARG A 83 11.768 1.173 -14.019 1.00 0.00 H new ATOM 0 HD3 ARG A 83 10.710 0.337 -15.139 1.00 0.00 H new ATOM 0 HE ARG A 83 9.860 2.977 -15.294 1.00 0.00 H new ATOM 0 HH11 ARG A 83 12.942 1.291 -15.643 1.00 0.00 H new ATOM 0 HH12 ARG A 83 13.582 2.459 -16.804 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.687 4.472 -16.786 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.310 4.253 -17.449 1.00 0.00 H new ATOM 1341 N LEU A 84 10.775 1.543 -9.072 1.00 0.00 N ATOM 1342 CA LEU A 84 11.014 2.165 -7.774 1.00 0.00 C ATOM 1343 C LEU A 84 12.164 1.478 -7.045 1.00 0.00 C ATOM 1344 O LEU A 84 12.693 2.004 -6.064 1.00 0.00 O ATOM 1345 CB LEU A 84 9.747 2.109 -6.919 1.00 0.00 C ATOM 1346 CG LEU A 84 8.428 2.338 -7.658 1.00 0.00 C ATOM 1347 CD1 LEU A 84 7.258 2.300 -6.687 1.00 0.00 C ATOM 1348 CD2 LEU A 84 8.459 3.662 -8.407 1.00 0.00 C ATOM 0 H LEU A 84 9.944 0.953 -9.110 1.00 0.00 H new ATOM 0 HA LEU A 84 11.286 3.207 -7.942 1.00 0.00 H new ATOM 0 HB2 LEU A 84 9.704 1.134 -6.433 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.832 2.856 -6.129 1.00 0.00 H new ATOM 0 HG LEU A 84 8.297 1.536 -8.384 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.328 2.465 -7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.224 1.327 -6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.383 3.081 -5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.512 3.808 -8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.614 4.477 -7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.273 3.651 -9.132 1.00 0.00 H new ATOM 1360 N HIS A 85 12.548 0.302 -7.530 1.00 0.00 N ATOM 1361 CA HIS A 85 13.638 -0.456 -6.926 1.00 0.00 C ATOM 1362 C HIS A 85 14.969 -0.116 -7.590 1.00 0.00 C ATOM 1363 O HIS A 85 15.990 0.029 -6.918 1.00 0.00 O ATOM 1364 CB HIS A 85 13.367 -1.956 -7.037 1.00 0.00 C ATOM 1365 CG HIS A 85 14.595 -2.800 -6.881 1.00 0.00 C ATOM 1366 ND1 HIS A 85 15.002 -3.319 -5.670 1.00 0.00 N ATOM 1367 CD2 HIS A 85 15.506 -3.214 -7.792 1.00 0.00 C ATOM 1368 CE1 HIS A 85 16.111 -4.016 -5.843 1.00 0.00 C ATOM 1369 NE2 HIS A 85 16.438 -3.969 -7.122 1.00 0.00 N ATOM 0 H HIS A 85 12.120 -0.147 -8.340 1.00 0.00 H new ATOM 0 HA HIS A 85 13.698 -0.183 -5.872 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.640 -2.243 -6.277 1.00 0.00 H new ATOM 0 HB3 HIS A 85 12.914 -2.164 -8.006 1.00 0.00 H new ATOM 0 HD2 HIS A 85 15.501 -2.992 -8.849 1.00 0.00 H new ATOM 0 HE1 HIS A 85 16.657 -4.536 -5.070 1.00 0.00 H new ATOM 0 HE2 HIS A 85 17.250 -4.420 -7.543 1.00 0.00 H new ATOM 1377 N MET A 86 14.950 0.008 -8.913 1.00 0.00 N ATOM 1378 CA MET A 86 16.156 0.331 -9.667 1.00 0.00 C ATOM 1379 C MET A 86 16.848 1.560 -9.086 1.00 0.00 C ATOM 1380 O MET A 86 18.074 1.665 -9.114 1.00 0.00 O ATOM 1381 CB MET A 86 15.813 0.573 -11.139 1.00 0.00 C ATOM 1382 CG MET A 86 15.225 -0.645 -11.833 1.00 0.00 C ATOM 1383 SD MET A 86 16.456 -1.576 -12.765 1.00 0.00 S ATOM 1384 CE MET A 86 17.611 -2.005 -11.465 1.00 0.00 C ATOM 0 H MET A 86 14.114 -0.110 -9.485 1.00 0.00 H new ATOM 0 HA MET A 86 16.838 -0.516 -9.594 1.00 0.00 H new ATOM 0 HB2 MET A 86 15.104 1.398 -11.208 1.00 0.00 H new ATOM 0 HB3 MET A 86 16.714 0.883 -11.668 1.00 0.00 H new ATOM 0 HG2 MET A 86 14.769 -1.298 -11.088 1.00 0.00 H new ATOM 0 HG3 MET A 86 14.430 -0.326 -12.507 1.00 0.00 H new ATOM 0 HE1 MET A 86 18.219 -2.852 -11.783 1.00 0.00 H new ATOM 0 HE2 MET A 86 18.257 -1.152 -11.257 1.00 0.00 H new ATOM 0 HE3 MET A 86 17.061 -2.272 -10.563 1.00 0.00 H new ATOM 1394 N VAL A 87 16.054 2.487 -8.560 1.00 0.00 N ATOM 1395 CA VAL A 87 16.591 3.708 -7.971 1.00 0.00 C ATOM 1396 C VAL A 87 17.704 3.396 -6.977 1.00 0.00 C ATOM 1397 O VAL A 87 18.661 4.159 -6.840 1.00 0.00 O ATOM 1398 CB VAL A 87 15.493 4.517 -7.257 1.00 0.00 C ATOM 1399 CG1 VAL A 87 14.289 4.704 -8.168 1.00 0.00 C ATOM 1400 CG2 VAL A 87 15.088 3.836 -5.959 1.00 0.00 C ATOM 0 H VAL A 87 15.037 2.416 -8.530 1.00 0.00 H new ATOM 0 HA VAL A 87 16.995 4.302 -8.790 1.00 0.00 H new ATOM 0 HB VAL A 87 15.892 5.502 -7.015 1.00 0.00 H new ATOM 0 HG11 VAL A 87 13.523 5.278 -7.646 1.00 0.00 H new ATOM 0 HG12 VAL A 87 14.593 5.239 -9.068 1.00 0.00 H new ATOM 0 HG13 VAL A 87 13.887 3.729 -8.444 1.00 0.00 H new ATOM 0 HG21 VAL A 87 14.311 4.422 -5.468 1.00 0.00 H new ATOM 0 HG22 VAL A 87 14.708 2.838 -6.175 1.00 0.00 H new ATOM 0 HG23 VAL A 87 15.955 3.760 -5.302 1.00 0.00 H new ATOM 1410 N SER A 88 17.573 2.268 -6.285 1.00 0.00 N ATOM 1411 CA SER A 88 18.566 1.856 -5.300 1.00 0.00 C ATOM 1412 C SER A 88 19.903 1.553 -5.971 1.00 0.00 C ATOM 1413 O SER A 88 20.964 1.726 -5.371 1.00 0.00 O ATOM 1414 CB SER A 88 18.076 0.624 -4.536 1.00 0.00 C ATOM 1415 OG SER A 88 18.012 -0.510 -5.383 1.00 0.00 O ATOM 0 H SER A 88 16.789 1.624 -6.389 1.00 0.00 H new ATOM 0 HA SER A 88 18.709 2.678 -4.598 1.00 0.00 H new ATOM 0 HB2 SER A 88 18.746 0.420 -3.701 1.00 0.00 H new ATOM 0 HB3 SER A 88 17.091 0.822 -4.114 1.00 0.00 H new ATOM 0 HG SER A 88 17.221 -0.444 -5.958 1.00 0.00 H new ATOM 1421 N HIS A 89 19.843 1.101 -7.219 1.00 0.00 N ATOM 1422 CA HIS A 89 21.048 0.774 -7.973 1.00 0.00 C ATOM 1423 C HIS A 89 21.665 2.030 -8.581 1.00 0.00 C ATOM 1424 O HIS A 89 22.844 2.321 -8.370 1.00 0.00 O ATOM 1425 CB HIS A 89 20.728 -0.236 -9.075 1.00 0.00 C ATOM 1426 CG HIS A 89 20.507 -1.627 -8.567 1.00 0.00 C ATOM 1427 ND1 HIS A 89 21.421 -2.295 -7.781 1.00 0.00 N ATOM 1428 CD2 HIS A 89 19.467 -2.476 -8.736 1.00 0.00 C ATOM 1429 CE1 HIS A 89 20.954 -3.496 -7.489 1.00 0.00 C ATOM 1430 NE2 HIS A 89 19.769 -3.631 -8.056 1.00 0.00 N ATOM 0 H HIS A 89 18.973 0.953 -7.730 1.00 0.00 H new ATOM 0 HA HIS A 89 21.769 0.332 -7.285 1.00 0.00 H new ATOM 0 HB2 HIS A 89 19.837 0.092 -9.610 1.00 0.00 H new ATOM 0 HB3 HIS A 89 21.546 -0.247 -9.795 1.00 0.00 H new ATOM 0 HD2 HIS A 89 18.567 -2.282 -9.300 1.00 0.00 H new ATOM 0 HE1 HIS A 89 21.456 -4.240 -6.889 1.00 0.00 H new ATOM 0 HE2 HIS A 89 19.175 -4.458 -7.998 1.00 0.00 H new ATOM 1438 N THR A 90 20.862 2.772 -9.337 1.00 0.00 N ATOM 1439 CA THR A 90 21.330 3.995 -9.977 1.00 0.00 C ATOM 1440 C THR A 90 21.630 5.076 -8.945 1.00 0.00 C ATOM 1441 O THR A 90 22.683 5.710 -8.984 1.00 0.00 O ATOM 1442 CB THR A 90 20.294 4.534 -10.982 1.00 0.00 C ATOM 1443 OG1 THR A 90 20.759 5.763 -11.552 1.00 0.00 O ATOM 1444 CG2 THR A 90 18.951 4.760 -10.306 1.00 0.00 C ATOM 0 H THR A 90 19.884 2.547 -9.521 1.00 0.00 H new ATOM 0 HA THR A 90 22.246 3.742 -10.510 1.00 0.00 H new ATOM 0 HB THR A 90 20.166 3.793 -11.771 1.00 0.00 H new ATOM 0 HG1 THR A 90 20.096 6.099 -12.191 1.00 0.00 H new ATOM 0 HG21 THR A 90 18.236 5.141 -11.035 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.586 3.818 -9.898 1.00 0.00 H new ATOM 0 HG23 THR A 90 19.067 5.484 -9.500 1.00 0.00 H new ATOM 1452 N GLY A 91 20.697 5.280 -8.020 1.00 0.00 N ATOM 1453 CA GLY A 91 20.881 6.285 -6.989 1.00 0.00 C ATOM 1454 C GLY A 91 19.573 6.912 -6.550 1.00 0.00 C ATOM 1455 O GLY A 91 19.280 6.981 -5.357 1.00 0.00 O ATOM 0 H GLY A 91 19.817 4.767 -7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 91 21.370 5.831 -6.127 1.00 0.00 H new ATOM 0 HA3 GLY A 91 21.547 7.064 -7.360 1.00 0.00 H new ATOM 1505 N TYR A 95 12.782 12.377 -11.682 1.00 0.00 N ATOM 1506 CA TYR A 95 11.698 13.307 -11.391 1.00 0.00 C ATOM 1507 C TYR A 95 11.219 13.151 -9.951 1.00 0.00 C ATOM 1508 O TYR A 95 11.366 12.089 -9.346 1.00 0.00 O ATOM 1509 CB TYR A 95 10.532 13.083 -12.355 1.00 0.00 C ATOM 1510 CG TYR A 95 10.918 13.210 -13.812 1.00 0.00 C ATOM 1511 CD1 TYR A 95 10.970 14.452 -14.431 1.00 0.00 C ATOM 1512 CD2 TYR A 95 11.230 12.087 -14.569 1.00 0.00 C ATOM 1513 CE1 TYR A 95 11.322 14.573 -15.761 1.00 0.00 C ATOM 1514 CE2 TYR A 95 11.584 12.199 -15.899 1.00 0.00 C ATOM 1515 CZ TYR A 95 11.628 13.444 -16.491 1.00 0.00 C ATOM 1516 OH TYR A 95 11.979 13.559 -17.817 1.00 0.00 O ATOM 0 HA TYR A 95 12.078 14.320 -11.521 1.00 0.00 H new ATOM 0 HB2 TYR A 95 10.115 12.091 -12.183 1.00 0.00 H new ATOM 0 HB3 TYR A 95 9.744 13.803 -12.132 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.731 15.339 -13.863 1.00 0.00 H new ATOM 0 HD2 TYR A 95 11.195 11.110 -14.109 1.00 0.00 H new ATOM 0 HE1 TYR A 95 11.357 15.547 -16.227 1.00 0.00 H new ATOM 0 HE2 TYR A 95 11.825 11.316 -16.473 1.00 0.00 H new ATOM 0 HH TYR A 95 12.164 12.670 -18.185 1.00 0.00 H new ATOM 1526 N LYS A 96 10.643 14.218 -9.407 1.00 0.00 N ATOM 1527 CA LYS A 96 10.139 14.203 -8.039 1.00 0.00 C ATOM 1528 C LYS A 96 9.060 15.264 -7.844 1.00 0.00 C ATOM 1529 O LYS A 96 9.100 16.325 -8.468 1.00 0.00 O ATOM 1530 CB LYS A 96 11.283 14.435 -7.049 1.00 0.00 C ATOM 1531 CG LYS A 96 11.872 13.152 -6.489 1.00 0.00 C ATOM 1532 CD LYS A 96 13.331 13.331 -6.105 1.00 0.00 C ATOM 1533 CE LYS A 96 14.243 13.231 -7.318 1.00 0.00 C ATOM 1534 NZ LYS A 96 15.608 13.752 -7.031 1.00 0.00 N ATOM 0 H LYS A 96 10.514 15.105 -9.894 1.00 0.00 H new ATOM 0 HA LYS A 96 9.698 13.224 -7.852 1.00 0.00 H new ATOM 0 HB2 LYS A 96 12.072 15.001 -7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 96 10.920 15.049 -6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 96 11.300 12.839 -5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 96 11.784 12.357 -7.229 1.00 0.00 H new ATOM 0 HD2 LYS A 96 13.466 14.301 -5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 96 13.612 12.573 -5.374 1.00 0.00 H new ATOM 0 HE2 LYS A 96 14.311 12.191 -7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 96 13.808 13.790 -8.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 16.199 13.666 -7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.546 14.752 -6.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.034 13.202 -6.258 1.00 0.00 H new ATOM 1548 N CYS A 97 8.099 14.971 -6.975 1.00 0.00 N ATOM 1549 CA CYS A 97 7.010 15.900 -6.697 1.00 0.00 C ATOM 1550 C CYS A 97 7.448 16.969 -5.701 1.00 0.00 C ATOM 1551 O CYS A 97 8.612 17.022 -5.303 1.00 0.00 O ATOM 1552 CB CYS A 97 5.796 15.146 -6.152 1.00 0.00 C ATOM 1553 SG CYS A 97 4.195 15.892 -6.600 1.00 0.00 S ATOM 0 H CYS A 97 8.052 14.097 -6.451 1.00 0.00 H new ATOM 0 HA CYS A 97 6.736 16.390 -7.631 1.00 0.00 H new ATOM 0 HB2 CYS A 97 5.823 14.121 -6.521 1.00 0.00 H new ATOM 0 HB3 CYS A 97 5.870 15.096 -5.066 1.00 0.00 H new ATOM 0 HG CYS A 97 4.314 16.531 -7.726 1.00 0.00 H new ATOM 1558 N SER A 98 6.508 17.819 -5.301 1.00 0.00 N ATOM 1559 CA SER A 98 6.797 18.889 -4.353 1.00 0.00 C ATOM 1560 C SER A 98 5.875 18.805 -3.141 1.00 0.00 C ATOM 1561 O SER A 98 6.325 18.889 -1.998 1.00 0.00 O ATOM 1562 CB SER A 98 6.645 20.253 -5.030 1.00 0.00 C ATOM 1563 OG SER A 98 6.785 21.306 -4.092 1.00 0.00 O ATOM 0 H SER A 98 5.539 17.788 -5.619 1.00 0.00 H new ATOM 0 HA SER A 98 7.826 18.772 -4.013 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.394 20.359 -5.815 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.669 20.317 -5.511 1.00 0.00 H new ATOM 0 HG SER A 98 6.685 22.167 -4.549 1.00 0.00 H new ATOM 1569 N SER A 99 4.582 18.639 -3.399 1.00 0.00 N ATOM 1570 CA SER A 99 3.594 18.547 -2.330 1.00 0.00 C ATOM 1571 C SER A 99 3.789 17.269 -1.519 1.00 0.00 C ATOM 1572 O SER A 99 3.848 17.303 -0.290 1.00 0.00 O ATOM 1573 CB SER A 99 2.179 18.586 -2.909 1.00 0.00 C ATOM 1574 OG SER A 99 1.698 19.917 -2.990 1.00 0.00 O ATOM 0 H SER A 99 4.194 18.565 -4.339 1.00 0.00 H new ATOM 0 HA SER A 99 3.731 19.402 -1.668 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.176 18.134 -3.901 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.511 17.992 -2.286 1.00 0.00 H new ATOM 0 HG SER A 99 0.792 19.915 -3.365 1.00 0.00 H new ATOM 1580 N CYS A 100 3.887 16.143 -2.217 1.00 0.00 N ATOM 1581 CA CYS A 100 4.074 14.852 -1.565 1.00 0.00 C ATOM 1582 C CYS A 100 5.542 14.436 -1.594 1.00 0.00 C ATOM 1583 O CYS A 100 5.992 13.651 -0.759 1.00 0.00 O ATOM 1584 CB CYS A 100 3.216 13.784 -2.245 1.00 0.00 C ATOM 1585 SG CYS A 100 3.696 13.431 -3.967 1.00 0.00 S ATOM 0 H CYS A 100 3.840 16.098 -3.235 1.00 0.00 H new ATOM 0 HA CYS A 100 3.763 14.950 -0.525 1.00 0.00 H new ATOM 0 HB2 CYS A 100 3.276 12.862 -1.666 1.00 0.00 H new ATOM 0 HB3 CYS A 100 2.174 14.105 -2.228 1.00 0.00 H new ATOM 0 HG CYS A 100 3.802 14.547 -4.625 1.00 0.00 H new ATOM 1590 N SER A 101 6.284 14.968 -2.560 1.00 0.00 N ATOM 1591 CA SER A 101 7.700 14.650 -2.701 1.00 0.00 C ATOM 1592 C SER A 101 7.887 13.249 -3.276 1.00 0.00 C ATOM 1593 O SER A 101 8.871 12.572 -2.981 1.00 0.00 O ATOM 1594 CB SER A 101 8.405 14.756 -1.347 1.00 0.00 C ATOM 1595 OG SER A 101 8.015 15.932 -0.660 1.00 0.00 O ATOM 0 H SER A 101 5.928 15.622 -3.257 1.00 0.00 H new ATOM 0 HA SER A 101 8.142 15.369 -3.390 1.00 0.00 H new ATOM 0 HB2 SER A 101 8.168 13.882 -0.741 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.485 14.759 -1.495 1.00 0.00 H new ATOM 0 HG SER A 101 8.478 15.976 0.203 1.00 0.00 H new ATOM 1601 N GLN A 102 6.934 12.822 -4.099 1.00 0.00 N ATOM 1602 CA GLN A 102 6.994 11.502 -4.715 1.00 0.00 C ATOM 1603 C GLN A 102 8.170 11.404 -5.681 1.00 0.00 C ATOM 1604 O GLN A 102 8.974 12.329 -5.789 1.00 0.00 O ATOM 1605 CB GLN A 102 5.687 11.201 -5.452 1.00 0.00 C ATOM 1606 CG GLN A 102 4.739 10.308 -4.668 1.00 0.00 C ATOM 1607 CD GLN A 102 3.895 9.424 -5.565 1.00 0.00 C ATOM 1608 OE1 GLN A 102 4.348 8.975 -6.618 1.00 0.00 O ATOM 1609 NE2 GLN A 102 2.659 9.168 -5.152 1.00 0.00 N ATOM 0 H GLN A 102 6.113 13.370 -4.354 1.00 0.00 H new ATOM 0 HA GLN A 102 7.136 10.766 -3.924 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.183 12.140 -5.680 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.918 10.724 -6.405 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.315 9.683 -3.986 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.085 10.928 -4.056 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.324 9.561 -4.272 1.00 0.00 H new ATOM 0 HE22 GLN A 102 2.045 8.579 -5.714 1.00 0.00 H new ATOM 1618 N GLN A 103 8.264 10.277 -6.380 1.00 0.00 N ATOM 1619 CA GLN A 103 9.343 10.059 -7.336 1.00 0.00 C ATOM 1620 C GLN A 103 8.826 9.367 -8.592 1.00 0.00 C ATOM 1621 O GLN A 103 7.872 8.590 -8.537 1.00 0.00 O ATOM 1622 CB GLN A 103 10.455 9.224 -6.699 1.00 0.00 C ATOM 1623 CG GLN A 103 10.992 9.811 -5.404 1.00 0.00 C ATOM 1624 CD GLN A 103 12.086 8.962 -4.788 1.00 0.00 C ATOM 1625 OE1 GLN A 103 12.002 8.570 -3.624 1.00 0.00 O ATOM 1626 NE2 GLN A 103 13.122 8.673 -5.568 1.00 0.00 N ATOM 0 H GLN A 103 7.606 9.501 -6.302 1.00 0.00 H new ATOM 0 HA GLN A 103 9.746 11.031 -7.620 1.00 0.00 H new ATOM 0 HB2 GLN A 103 10.078 8.220 -6.504 1.00 0.00 H new ATOM 0 HB3 GLN A 103 11.275 9.124 -7.410 1.00 0.00 H new ATOM 0 HG2 GLN A 103 11.379 10.812 -5.596 1.00 0.00 H new ATOM 0 HG3 GLN A 103 10.174 9.917 -4.691 1.00 0.00 H new ATOM 0 HE21 GLN A 103 13.150 9.019 -6.527 1.00 0.00 H new ATOM 0 HE22 GLN A 103 13.889 8.105 -5.208 1.00 0.00 H new ATOM 1635 N PHE A 104 9.461 9.653 -9.724 1.00 0.00 N ATOM 1636 CA PHE A 104 9.064 9.059 -10.995 1.00 0.00 C ATOM 1637 C PHE A 104 10.269 8.891 -11.916 1.00 0.00 C ATOM 1638 O PHE A 104 11.304 9.527 -11.723 1.00 0.00 O ATOM 1639 CB PHE A 104 8.002 9.923 -11.677 1.00 0.00 C ATOM 1640 CG PHE A 104 6.883 10.331 -10.762 1.00 0.00 C ATOM 1641 CD1 PHE A 104 7.116 11.193 -9.703 1.00 0.00 C ATOM 1642 CD2 PHE A 104 5.598 9.854 -10.962 1.00 0.00 C ATOM 1643 CE1 PHE A 104 6.088 11.570 -8.859 1.00 0.00 C ATOM 1644 CE2 PHE A 104 4.566 10.227 -10.122 1.00 0.00 C ATOM 1645 CZ PHE A 104 4.811 11.087 -9.070 1.00 0.00 C ATOM 0 H PHE A 104 10.253 10.293 -9.787 1.00 0.00 H new ATOM 0 HA PHE A 104 8.644 8.074 -10.792 1.00 0.00 H new ATOM 0 HB2 PHE A 104 8.477 10.818 -12.079 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.587 9.375 -12.523 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.112 11.575 -9.535 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.400 9.182 -11.784 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.283 12.241 -8.036 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.569 9.846 -10.288 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.006 11.382 -8.413 1.00 0.00 H new ATOM 1655 N MET A 105 10.124 8.029 -12.917 1.00 0.00 N ATOM 1656 CA MET A 105 11.200 7.777 -13.870 1.00 0.00 C ATOM 1657 C MET A 105 11.026 8.628 -15.124 1.00 0.00 C ATOM 1658 O MET A 105 12.000 8.962 -15.797 1.00 0.00 O ATOM 1659 CB MET A 105 11.240 6.295 -14.246 1.00 0.00 C ATOM 1660 CG MET A 105 12.118 5.459 -13.329 1.00 0.00 C ATOM 1661 SD MET A 105 13.813 6.068 -13.244 1.00 0.00 S ATOM 1662 CE MET A 105 14.295 5.500 -11.615 1.00 0.00 C ATOM 0 H MET A 105 9.273 7.494 -13.090 1.00 0.00 H new ATOM 0 HA MET A 105 12.143 8.049 -13.396 1.00 0.00 H new ATOM 0 HB2 MET A 105 10.226 5.896 -14.227 1.00 0.00 H new ATOM 0 HB3 MET A 105 11.602 6.198 -15.270 1.00 0.00 H new ATOM 0 HG2 MET A 105 11.688 5.453 -12.327 1.00 0.00 H new ATOM 0 HG3 MET A 105 12.124 4.427 -13.680 1.00 0.00 H new ATOM 0 HE1 MET A 105 15.242 5.961 -11.334 1.00 0.00 H new ATOM 0 HE2 MET A 105 13.528 5.777 -10.892 1.00 0.00 H new ATOM 0 HE3 MET A 105 14.409 4.416 -11.627 1.00 0.00 H new ATOM 1672 N GLN A 106 9.779 8.973 -15.431 1.00 0.00 N ATOM 1673 CA GLN A 106 9.479 9.784 -16.605 1.00 0.00 C ATOM 1674 C GLN A 106 8.853 11.115 -16.202 1.00 0.00 C ATOM 1675 O GLN A 106 8.321 11.255 -15.101 1.00 0.00 O ATOM 1676 CB GLN A 106 8.539 9.029 -17.545 1.00 0.00 C ATOM 1677 CG GLN A 106 8.882 7.556 -17.696 1.00 0.00 C ATOM 1678 CD GLN A 106 8.456 6.991 -19.036 1.00 0.00 C ATOM 1679 OE1 GLN A 106 7.286 6.668 -19.243 1.00 0.00 O ATOM 1680 NE2 GLN A 106 9.406 6.868 -19.956 1.00 0.00 N ATOM 0 H GLN A 106 8.962 8.704 -14.884 1.00 0.00 H new ATOM 0 HA GLN A 106 10.416 9.987 -17.124 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.518 9.119 -17.174 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.564 9.502 -18.527 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.957 7.423 -17.576 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.400 6.991 -16.898 1.00 0.00 H new ATOM 0 HE21 GLN A 106 10.363 7.148 -19.742 1.00 0.00 H new ATOM 0 HE22 GLN A 106 9.179 6.493 -20.877 1.00 0.00 H new ATOM 1689 N LYS A 107 8.921 12.091 -17.101 1.00 0.00 N ATOM 1690 CA LYS A 107 8.361 13.412 -16.840 1.00 0.00 C ATOM 1691 C LYS A 107 6.836 13.368 -16.849 1.00 0.00 C ATOM 1692 O LYS A 107 6.189 13.698 -15.855 1.00 0.00 O ATOM 1693 CB LYS A 107 8.859 14.415 -17.884 1.00 0.00 C ATOM 1694 CG LYS A 107 9.028 15.823 -17.342 1.00 0.00 C ATOM 1695 CD LYS A 107 10.036 16.617 -18.156 1.00 0.00 C ATOM 1696 CE LYS A 107 9.362 17.381 -19.285 1.00 0.00 C ATOM 1697 NZ LYS A 107 8.647 18.589 -18.788 1.00 0.00 N ATOM 0 H LYS A 107 9.358 11.992 -18.017 1.00 0.00 H new ATOM 0 HA LYS A 107 8.692 13.731 -15.852 1.00 0.00 H new ATOM 0 HB2 LYS A 107 9.814 14.070 -18.280 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.157 14.437 -18.718 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.066 16.336 -17.352 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.354 15.777 -16.303 1.00 0.00 H new ATOM 0 HD2 LYS A 107 10.561 17.316 -17.505 1.00 0.00 H new ATOM 0 HD3 LYS A 107 10.785 15.941 -18.569 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.110 17.679 -20.020 1.00 0.00 H new ATOM 0 HE3 LYS A 107 8.656 16.726 -19.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 7.822 18.777 -19.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 8.330 18.427 -17.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 9.289 19.407 -18.813 1.00 0.00 H new ATOM 1711 N LYS A 108 6.267 12.956 -17.977 1.00 0.00 N ATOM 1712 CA LYS A 108 4.819 12.865 -18.116 1.00 0.00 C ATOM 1713 C LYS A 108 4.207 12.104 -16.944 1.00 0.00 C ATOM 1714 O LYS A 108 3.108 12.422 -16.490 1.00 0.00 O ATOM 1715 CB LYS A 108 4.454 12.175 -19.432 1.00 0.00 C ATOM 1716 CG LYS A 108 5.362 11.009 -19.780 1.00 0.00 C ATOM 1717 CD LYS A 108 6.488 11.436 -20.707 1.00 0.00 C ATOM 1718 CE LYS A 108 6.771 10.378 -21.763 1.00 0.00 C ATOM 1719 NZ LYS A 108 7.758 9.370 -21.288 1.00 0.00 N ATOM 0 H LYS A 108 6.788 12.680 -18.809 1.00 0.00 H new ATOM 0 HA LYS A 108 4.415 13.877 -18.120 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.426 11.818 -19.372 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.491 12.907 -20.239 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.782 10.588 -18.866 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.778 10.221 -20.255 1.00 0.00 H new ATOM 0 HD2 LYS A 108 6.224 12.375 -21.193 1.00 0.00 H new ATOM 0 HD3 LYS A 108 7.390 11.621 -20.124 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.841 9.877 -22.033 1.00 0.00 H new ATOM 0 HE3 LYS A 108 7.148 10.858 -22.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 8.274 8.979 -22.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.430 9.823 -20.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 7.260 8.603 -20.794 1.00 0.00 H new ATOM 1733 N ASP A 109 4.926 11.098 -16.458 1.00 0.00 N ATOM 1734 CA ASP A 109 4.455 10.293 -15.337 1.00 0.00 C ATOM 1735 C ASP A 109 4.180 11.167 -14.118 1.00 0.00 C ATOM 1736 O ASP A 109 3.220 10.938 -13.380 1.00 0.00 O ATOM 1737 CB ASP A 109 5.484 9.217 -14.986 1.00 0.00 C ATOM 1738 CG ASP A 109 4.847 7.985 -14.373 1.00 0.00 C ATOM 1739 OD1 ASP A 109 4.197 8.118 -13.316 1.00 0.00 O ATOM 1740 OD2 ASP A 109 5.000 6.888 -14.950 1.00 0.00 O ATOM 0 H ASP A 109 5.837 10.821 -16.823 1.00 0.00 H new ATOM 0 HA ASP A 109 3.524 9.811 -15.634 1.00 0.00 H new ATOM 0 HB2 ASP A 109 6.028 8.931 -15.886 1.00 0.00 H new ATOM 0 HB3 ASP A 109 6.214 9.630 -14.290 1.00 0.00 H new ATOM 1745 N LEU A 110 5.027 12.169 -13.911 1.00 0.00 N ATOM 1746 CA LEU A 110 4.876 13.078 -12.780 1.00 0.00 C ATOM 1747 C LEU A 110 3.774 14.099 -13.045 1.00 0.00 C ATOM 1748 O LEU A 110 2.866 14.270 -12.233 1.00 0.00 O ATOM 1749 CB LEU A 110 6.197 13.798 -12.499 1.00 0.00 C ATOM 1750 CG LEU A 110 6.107 15.044 -11.617 1.00 0.00 C ATOM 1751 CD1 LEU A 110 5.609 14.680 -10.228 1.00 0.00 C ATOM 1752 CD2 LEU A 110 7.459 15.738 -11.536 1.00 0.00 C ATOM 0 H LEU A 110 5.826 12.373 -14.512 1.00 0.00 H new ATOM 0 HA LEU A 110 4.597 12.488 -11.907 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.880 13.091 -12.027 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.642 14.083 -13.452 1.00 0.00 H new ATOM 0 HG LEU A 110 5.393 15.734 -12.067 1.00 0.00 H new ATOM 0 HD11 LEU A 110 5.552 15.579 -9.615 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.620 14.228 -10.303 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.298 13.971 -9.769 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.377 16.623 -10.904 1.00 0.00 H new ATOM 0 HD22 LEU A 110 8.194 15.055 -11.110 1.00 0.00 H new ATOM 0 HD23 LEU A 110 7.776 16.034 -12.536 1.00 0.00 H new ATOM 1764 N GLN A 111 3.860 14.772 -14.188 1.00 0.00 N ATOM 1765 CA GLN A 111 2.869 15.774 -14.560 1.00 0.00 C ATOM 1766 C GLN A 111 1.454 15.244 -14.350 1.00 0.00 C ATOM 1767 O GLN A 111 0.620 15.903 -13.729 1.00 0.00 O ATOM 1768 CB GLN A 111 3.059 16.192 -16.019 1.00 0.00 C ATOM 1769 CG GLN A 111 4.444 16.740 -16.320 1.00 0.00 C ATOM 1770 CD GLN A 111 4.495 17.519 -17.620 1.00 0.00 C ATOM 1771 OE1 GLN A 111 3.519 18.160 -18.011 1.00 0.00 O ATOM 1772 NE2 GLN A 111 5.635 17.467 -18.297 1.00 0.00 N ATOM 0 H GLN A 111 4.605 14.641 -14.872 1.00 0.00 H new ATOM 0 HA GLN A 111 3.010 16.644 -13.919 1.00 0.00 H new ATOM 0 HB2 GLN A 111 2.870 15.332 -16.662 1.00 0.00 H new ATOM 0 HB3 GLN A 111 2.316 16.948 -16.271 1.00 0.00 H new ATOM 0 HG2 GLN A 111 4.760 17.386 -15.501 1.00 0.00 H new ATOM 0 HG3 GLN A 111 5.154 15.915 -16.368 1.00 0.00 H new ATOM 0 HE21 GLN A 111 6.419 16.923 -17.935 1.00 0.00 H new ATOM 0 HE22 GLN A 111 5.728 17.971 -19.179 1.00 0.00 H new ATOM 1781 N SER A 112 1.191 14.051 -14.873 1.00 0.00 N ATOM 1782 CA SER A 112 -0.125 13.435 -14.747 1.00 0.00 C ATOM 1783 C SER A 112 -0.454 13.153 -13.284 1.00 0.00 C ATOM 1784 O SER A 112 -1.583 13.361 -12.839 1.00 0.00 O ATOM 1785 CB SER A 112 -0.183 12.137 -15.554 1.00 0.00 C ATOM 1786 OG SER A 112 -1.504 11.866 -15.991 1.00 0.00 O ATOM 0 H SER A 112 1.871 13.492 -15.388 1.00 0.00 H new ATOM 0 HA SER A 112 -0.865 14.132 -15.140 1.00 0.00 H new ATOM 0 HB2 SER A 112 0.480 12.211 -16.416 1.00 0.00 H new ATOM 0 HB3 SER A 112 0.178 11.309 -14.944 1.00 0.00 H new ATOM 0 HG SER A 112 -1.514 11.032 -16.506 1.00 0.00 H new ATOM 1792 N HIS A 113 0.540 12.677 -12.541 1.00 0.00 N ATOM 1793 CA HIS A 113 0.357 12.366 -11.128 1.00 0.00 C ATOM 1794 C HIS A 113 -0.082 13.604 -10.352 1.00 0.00 C ATOM 1795 O HIS A 113 -0.925 13.522 -9.459 1.00 0.00 O ATOM 1796 CB HIS A 113 1.653 11.811 -10.535 1.00 0.00 C ATOM 1797 CG HIS A 113 1.831 12.128 -9.082 1.00 0.00 C ATOM 1798 ND1 HIS A 113 2.302 13.240 -8.470 1.00 0.00 N flip ATOM 1799 CD2 HIS A 113 1.509 11.245 -8.074 1.00 0.00 C flip ATOM 1800 CE1 HIS A 113 2.256 13.011 -7.117 1.00 0.00 C flip ATOM 1801 NE2 HIS A 113 1.773 11.800 -6.904 1.00 0.00 N flip ATOM 0 H HIS A 113 1.480 12.498 -12.894 1.00 0.00 H new ATOM 0 HA HIS A 113 -0.425 11.611 -11.045 1.00 0.00 H new ATOM 0 HB2 HIS A 113 1.669 10.729 -10.667 1.00 0.00 H new ATOM 0 HB3 HIS A 113 2.499 12.213 -11.092 1.00 0.00 H new ATOM 0 HD2 HIS A 113 1.104 10.254 -8.218 1.00 0.00 H new ATOM 0 HE1 HIS A 113 2.564 13.708 -6.351 1.00 0.00 H new ATOM 0 HE2 HIS A 113 1.628 11.367 -5.992 1.00 0.00 H new ATOM 1809 N MET A 114 0.497 14.750 -10.698 1.00 0.00 N ATOM 1810 CA MET A 114 0.164 16.004 -10.033 1.00 0.00 C ATOM 1811 C MET A 114 -1.178 16.539 -10.522 1.00 0.00 C ATOM 1812 O MET A 114 -1.901 17.201 -9.776 1.00 0.00 O ATOM 1813 CB MET A 114 1.261 17.043 -10.280 1.00 0.00 C ATOM 1814 CG MET A 114 2.624 16.623 -9.756 1.00 0.00 C ATOM 1815 SD MET A 114 3.735 18.022 -9.511 1.00 0.00 S ATOM 1816 CE MET A 114 2.978 18.811 -8.093 1.00 0.00 C ATOM 0 H MET A 114 1.198 14.835 -11.434 1.00 0.00 H new ATOM 0 HA MET A 114 0.090 15.811 -8.963 1.00 0.00 H new ATOM 0 HB2 MET A 114 1.335 17.233 -11.351 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.973 17.983 -9.808 1.00 0.00 H new ATOM 0 HG2 MET A 114 2.499 16.094 -8.811 1.00 0.00 H new ATOM 0 HG3 MET A 114 3.078 15.922 -10.456 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.686 19.828 -8.355 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.096 18.247 -7.790 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.691 18.840 -7.269 1.00 0.00 H new ATOM 1826 N ILE A 115 -1.504 16.248 -11.776 1.00 0.00 N ATOM 1827 CA ILE A 115 -2.760 16.700 -12.363 1.00 0.00 C ATOM 1828 C ILE A 115 -3.929 15.843 -11.887 1.00 0.00 C ATOM 1829 O ILE A 115 -5.065 16.310 -11.810 1.00 0.00 O ATOM 1830 CB ILE A 115 -2.707 16.667 -13.901 1.00 0.00 C ATOM 1831 CG1 ILE A 115 -1.647 17.643 -14.418 1.00 0.00 C ATOM 1832 CG2 ILE A 115 -4.072 17.002 -14.486 1.00 0.00 C ATOM 1833 CD1 ILE A 115 -1.006 17.207 -15.717 1.00 0.00 C ATOM 0 H ILE A 115 -0.916 15.701 -12.406 1.00 0.00 H new ATOM 0 HA ILE A 115 -2.909 17.729 -12.035 1.00 0.00 H new ATOM 0 HB ILE A 115 -2.434 15.661 -14.218 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -2.104 18.622 -14.559 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -0.872 17.759 -13.661 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.018 16.975 -15.574 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.805 16.273 -14.140 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -4.372 17.999 -14.163 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.266 17.946 -16.023 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.519 16.242 -15.577 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.771 17.119 -16.488 1.00 0.00 H new ATOM 1845 N LYS A 116 -3.641 14.586 -11.567 1.00 0.00 N ATOM 1846 CA LYS A 116 -4.666 13.662 -11.096 1.00 0.00 C ATOM 1847 C LYS A 116 -4.840 13.768 -9.584 1.00 0.00 C ATOM 1848 O LYS A 116 -5.936 14.045 -9.093 1.00 0.00 O ATOM 1849 CB LYS A 116 -4.302 12.225 -11.477 1.00 0.00 C ATOM 1850 CG LYS A 116 -4.736 11.841 -12.881 1.00 0.00 C ATOM 1851 CD LYS A 116 -3.774 12.375 -13.929 1.00 0.00 C ATOM 1852 CE LYS A 116 -4.317 12.179 -15.336 1.00 0.00 C ATOM 1853 NZ LYS A 116 -4.478 10.738 -15.672 1.00 0.00 N ATOM 0 H LYS A 116 -2.706 14.184 -11.625 1.00 0.00 H new ATOM 0 HA LYS A 116 -5.608 13.931 -11.574 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -3.223 12.097 -11.391 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -4.762 11.541 -10.764 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -4.795 10.755 -12.960 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -5.736 12.230 -13.072 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -3.594 13.435 -13.752 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -2.814 11.868 -13.835 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -5.279 12.683 -15.427 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -3.643 12.646 -16.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -4.785 10.644 -16.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -3.570 10.248 -15.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -5.192 10.313 -15.046 1.00 0.00 H new ATOM 1867 N LEU A 117 -3.754 13.549 -8.851 1.00 0.00 N ATOM 1868 CA LEU A 117 -3.787 13.622 -7.394 1.00 0.00 C ATOM 1869 C LEU A 117 -3.810 15.073 -6.922 1.00 0.00 C ATOM 1870 O LEU A 117 -4.703 15.481 -6.179 1.00 0.00 O ATOM 1871 CB LEU A 117 -2.577 12.900 -6.800 1.00 0.00 C ATOM 1872 CG LEU A 117 -2.248 11.533 -7.403 1.00 0.00 C ATOM 1873 CD1 LEU A 117 -1.418 10.707 -6.433 1.00 0.00 C ATOM 1874 CD2 LEU A 117 -3.525 10.795 -7.779 1.00 0.00 C ATOM 0 H LEU A 117 -2.840 13.320 -9.241 1.00 0.00 H new ATOM 0 HA LEU A 117 -4.699 13.133 -7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -1.704 13.544 -6.912 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -2.744 12.772 -5.731 1.00 0.00 H new ATOM 0 HG LEU A 117 -1.662 11.688 -8.309 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -1.194 9.738 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -0.487 11.230 -6.214 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -1.977 10.560 -5.509 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -3.272 9.825 -8.206 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.138 10.651 -6.889 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -4.081 11.380 -8.511 1.00 0.00 H new ATOM 1886 N HIS A 118 -2.823 15.848 -7.360 1.00 0.00 N ATOM 1887 CA HIS A 118 -2.731 17.254 -6.984 1.00 0.00 C ATOM 1888 C HIS A 118 -3.498 18.131 -7.970 1.00 0.00 C ATOM 1889 O HIS A 118 -3.098 19.260 -8.253 1.00 0.00 O ATOM 1890 CB HIS A 118 -1.268 17.694 -6.925 1.00 0.00 C ATOM 1891 CG HIS A 118 -0.431 16.865 -5.999 1.00 0.00 C ATOM 1892 ND1 HIS A 118 -0.766 16.638 -4.681 1.00 0.00 N ATOM 1893 CD2 HIS A 118 0.732 16.206 -6.209 1.00 0.00 C ATOM 1894 CE1 HIS A 118 0.156 15.877 -4.119 1.00 0.00 C ATOM 1895 NE2 HIS A 118 1.076 15.600 -5.025 1.00 0.00 N ATOM 0 H HIS A 118 -2.076 15.526 -7.975 1.00 0.00 H new ATOM 0 HA HIS A 118 -3.178 17.370 -5.996 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -0.842 17.647 -7.927 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -1.223 18.736 -6.608 1.00 0.00 H new ATOM 0 HD2 HIS A 118 1.286 16.164 -7.135 1.00 0.00 H new ATOM 0 HE1 HIS A 118 0.157 15.539 -3.093 1.00 0.00 H new ATOM 0 HE2 HIS A 118 1.907 15.029 -4.871 1.00 0.00 H new