USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 783 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 48 THR OG1 : rot 69:sc= 1.21 USER MOD Set 1.2: A 53 ASN :FLIP amide:sc= 0.502 F(o=-2.2!,f=1.7) USER MOD Set 2.1: A 22 TYR OH : rot -133:sc= -0.717 USER MOD Set 2.2: A 80 HIS :FLIP no HD1:sc= 0.163 F(o=-1.3,f=-0.55) USER MOD Single : A 15 LYS NZ :NH3+ -123:sc= -0.653 (180deg=-2.46!) USER MOD Single : A 19 ASN : amide:sc= -1.46 K(o=-1.5,f=-5.1!) USER MOD Single : A 23 LYS NZ :NH3+ -166:sc= -1.69! (180deg=-2.34!) USER MOD Single : A 24 SER OG : rot 82:sc= 1.17 USER MOD Single : A 31 ASN :FLIP amide:sc= -1.41 F(o=-2.3!,f=-1.4) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0273) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.183 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -40:sc= 0.787 USER MOD Single : A 74 THR OG1 : rot -1:sc= -0.616! USER MOD Single : A 77 MET CE :methyl -140:sc= -0.0887 (180deg=-0.333) USER MOD Single : A 78 SER OG : rot -27:sc= -1.66! USER MOD Single : A 81 MET CE :methyl 177:sc= -2.13 (180deg=-2.24) USER MOD Single : A 84 MET CE :methyl -170:sc= -2.62! (180deg=-2.64!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -109:sc= -0.526 (180deg=-2.49!) USER MOD Single : A 91 LYS NZ :NH3+ -159:sc= 0.228 (180deg=-0.172) USER MOD Single : A 92 LYS NZ :NH3+ 168:sc=-0.00326 (180deg=-0.191) USER MOD Single : A 95 SER OG : rot -21:sc= 0.0762 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 90:sc= -0.372 USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 7 1.842 3.031 14.296 1.00 0.00 N ATOM 84 CA PRO A 7 3.256 2.858 13.997 1.00 0.00 C ATOM 85 C PRO A 7 3.475 2.288 12.599 1.00 0.00 C ATOM 86 O PRO A 7 3.968 1.170 12.435 1.00 0.00 O ATOM 87 CB PRO A 7 3.680 1.843 15.054 1.00 0.00 C ATOM 88 CG PRO A 7 2.462 0.997 15.290 1.00 0.00 C ATOM 89 CD PRO A 7 1.264 1.771 14.777 1.00 0.00 C ATOM 0 HA PRO A 7 3.815 3.793 14.015 1.00 0.00 H new ATOM 0 HB2 PRO A 7 4.519 1.239 14.708 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.001 2.338 15.971 1.00 0.00 H new ATOM 0 HG2 PRO A 7 2.552 0.042 14.772 1.00 0.00 H new ATOM 0 HG3 PRO A 7 2.349 0.775 16.351 1.00 0.00 H new ATOM 0 HD2 PRO A 7 0.753 1.234 13.978 1.00 0.00 H new ATOM 0 HD3 PRO A 7 0.531 1.942 15.565 1.00 0.00 H new ATOM 97 N GLY A 8 3.082 3.050 11.594 1.00 0.00 N ATOM 98 CA GLY A 8 3.168 2.577 10.231 1.00 0.00 C ATOM 99 C GLY A 8 4.580 2.537 9.707 1.00 0.00 C ATOM 100 O GLY A 8 4.975 1.572 9.058 1.00 0.00 O ATOM 0 H GLY A 8 2.703 3.991 11.698 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.736 1.578 10.172 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.567 3.222 9.590 1.00 0.00 H new ATOM 104 N ALA A 9 5.344 3.582 10.005 1.00 0.00 N ATOM 105 CA ALA A 9 6.671 3.746 9.438 1.00 0.00 C ATOM 106 C ALA A 9 7.447 4.829 10.173 1.00 0.00 C ATOM 107 O ALA A 9 8.235 4.547 11.076 1.00 0.00 O ATOM 108 CB ALA A 9 6.564 4.094 7.959 1.00 0.00 C ATOM 0 H ALA A 9 5.062 4.330 10.639 1.00 0.00 H new ATOM 0 HA ALA A 9 7.210 2.805 9.549 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.563 4.215 7.541 1.00 0.00 H new ATOM 0 HB2 ALA A 9 6.045 3.292 7.433 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.007 5.024 7.843 1.00 0.00 H new ATOM 114 N ASP A 10 7.196 6.072 9.787 1.00 0.00 N ATOM 115 CA ASP A 10 7.859 7.221 10.386 1.00 0.00 C ATOM 116 C ASP A 10 7.071 8.477 10.068 1.00 0.00 C ATOM 117 O ASP A 10 6.536 9.136 10.958 1.00 0.00 O ATOM 118 CB ASP A 10 9.292 7.359 9.865 1.00 0.00 C ATOM 119 CG ASP A 10 10.039 8.489 10.542 1.00 0.00 C ATOM 120 OD1 ASP A 10 10.606 8.258 11.633 1.00 0.00 O ATOM 121 OD2 ASP A 10 10.063 9.610 9.991 1.00 0.00 O ATOM 0 H ASP A 10 6.530 6.312 9.053 1.00 0.00 H new ATOM 0 HA ASP A 10 7.903 7.076 11.465 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.827 6.423 10.026 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.271 7.533 8.789 1.00 0.00 H new ATOM 126 N CYS A 11 6.977 8.781 8.785 1.00 0.00 N ATOM 127 CA CYS A 11 6.177 9.901 8.327 1.00 0.00 C ATOM 128 C CYS A 11 4.703 9.530 8.329 1.00 0.00 C ATOM 129 O CYS A 11 4.354 8.369 8.122 1.00 0.00 O ATOM 130 CB CYS A 11 6.615 10.325 6.933 1.00 0.00 C ATOM 131 SG CYS A 11 6.822 8.932 5.784 1.00 0.00 S ATOM 0 H CYS A 11 7.447 8.265 8.041 1.00 0.00 H new ATOM 0 HA CYS A 11 6.325 10.739 9.008 1.00 0.00 H new ATOM 0 HB2 CYS A 11 5.879 11.017 6.524 1.00 0.00 H new ATOM 0 HB3 CYS A 11 7.557 10.869 7.006 1.00 0.00 H new ATOM 136 N GLU A 12 3.850 10.506 8.579 1.00 0.00 N ATOM 137 CA GLU A 12 2.427 10.267 8.777 1.00 0.00 C ATOM 138 C GLU A 12 1.763 9.595 7.573 1.00 0.00 C ATOM 139 O GLU A 12 1.438 8.411 7.630 1.00 0.00 O ATOM 140 CB GLU A 12 1.737 11.594 9.096 1.00 0.00 C ATOM 141 CG GLU A 12 0.227 11.502 9.195 1.00 0.00 C ATOM 142 CD GLU A 12 -0.408 12.842 9.484 1.00 0.00 C ATOM 143 OE1 GLU A 12 -0.518 13.665 8.553 1.00 0.00 O ATOM 144 OE2 GLU A 12 -0.789 13.080 10.647 1.00 0.00 O ATOM 0 H GLU A 12 4.121 11.487 8.651 1.00 0.00 H new ATOM 0 HA GLU A 12 2.320 9.574 9.612 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.129 11.977 10.038 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.996 12.320 8.325 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.173 11.106 8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.042 10.797 9.982 1.00 0.00 H new ATOM 151 N VAL A 13 1.592 10.347 6.485 1.00 0.00 N ATOM 152 CA VAL A 13 0.792 9.896 5.341 1.00 0.00 C ATOM 153 C VAL A 13 1.203 8.504 4.845 1.00 0.00 C ATOM 154 O VAL A 13 0.357 7.628 4.664 1.00 0.00 O ATOM 155 CB VAL A 13 0.855 10.911 4.172 1.00 0.00 C ATOM 156 CG1 VAL A 13 2.293 11.189 3.772 1.00 0.00 C ATOM 157 CG2 VAL A 13 0.049 10.419 2.978 1.00 0.00 C ATOM 0 H VAL A 13 1.998 11.276 6.370 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.235 9.830 5.700 1.00 0.00 H new ATOM 0 HB VAL A 13 0.412 11.845 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.310 11.904 2.950 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.834 11.602 4.623 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.769 10.261 3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.110 11.150 2.172 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.452 9.466 2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.993 10.288 3.271 1.00 0.00 H new ATOM 167 N CYS A 14 2.500 8.303 4.653 1.00 0.00 N ATOM 168 CA CYS A 14 3.014 7.035 4.158 1.00 0.00 C ATOM 169 C CYS A 14 2.714 5.906 5.140 1.00 0.00 C ATOM 170 O CYS A 14 2.269 4.824 4.746 1.00 0.00 O ATOM 171 CB CYS A 14 4.522 7.148 3.915 1.00 0.00 C ATOM 172 SG CYS A 14 5.344 5.584 3.472 1.00 0.00 S ATOM 0 H CYS A 14 3.217 9.006 4.834 1.00 0.00 H new ATOM 0 HA CYS A 14 2.518 6.800 3.216 1.00 0.00 H new ATOM 0 HB2 CYS A 14 4.694 7.871 3.118 1.00 0.00 H new ATOM 0 HB3 CYS A 14 4.992 7.547 4.814 1.00 0.00 H new ATOM 177 N LYS A 15 2.913 6.174 6.427 1.00 0.00 N ATOM 178 CA LYS A 15 2.752 5.140 7.430 1.00 0.00 C ATOM 179 C LYS A 15 1.278 4.807 7.624 1.00 0.00 C ATOM 180 O LYS A 15 0.913 3.641 7.727 1.00 0.00 O ATOM 181 CB LYS A 15 3.390 5.546 8.769 1.00 0.00 C ATOM 182 CG LYS A 15 2.466 6.295 9.723 1.00 0.00 C ATOM 183 CD LYS A 15 2.936 6.179 11.162 1.00 0.00 C ATOM 184 CE LYS A 15 4.110 7.091 11.457 1.00 0.00 C ATOM 185 NZ LYS A 15 3.695 8.516 11.489 1.00 0.00 N ATOM 0 H LYS A 15 3.182 7.088 6.792 1.00 0.00 H new ATOM 0 HA LYS A 15 3.270 4.250 7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.752 4.648 9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.260 6.170 8.565 1.00 0.00 H new ATOM 0 HG2 LYS A 15 2.422 7.346 9.438 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.454 5.899 9.637 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.112 6.423 11.832 1.00 0.00 H new ATOM 0 HD3 LYS A 15 3.220 5.147 11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.553 6.818 12.415 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.880 6.952 10.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.254 9.056 10.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.685 8.589 11.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 3.854 8.903 12.441 1.00 0.00 H new ATOM 199 N GLU A 16 0.445 5.841 7.656 1.00 0.00 N ATOM 200 CA GLU A 16 -0.991 5.684 7.847 1.00 0.00 C ATOM 201 C GLU A 16 -1.578 4.793 6.766 1.00 0.00 C ATOM 202 O GLU A 16 -2.407 3.925 7.046 1.00 0.00 O ATOM 203 CB GLU A 16 -1.685 7.045 7.822 1.00 0.00 C ATOM 204 CG GLU A 16 -1.342 7.947 8.994 1.00 0.00 C ATOM 205 CD GLU A 16 -1.856 7.419 10.319 1.00 0.00 C ATOM 206 OE1 GLU A 16 -3.082 7.512 10.565 1.00 0.00 O ATOM 207 OE2 GLU A 16 -1.041 6.939 11.130 1.00 0.00 O ATOM 0 H GLU A 16 0.746 6.810 7.550 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.155 5.218 8.819 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.421 7.557 6.896 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.764 6.889 7.803 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.260 8.063 9.051 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.760 8.938 8.817 1.00 0.00 H new ATOM 214 N PHE A 17 -1.140 5.010 5.530 1.00 0.00 N ATOM 215 CA PHE A 17 -1.593 4.194 4.419 1.00 0.00 C ATOM 216 C PHE A 17 -1.233 2.735 4.651 1.00 0.00 C ATOM 217 O PHE A 17 -2.095 1.856 4.556 1.00 0.00 O ATOM 218 CB PHE A 17 -0.998 4.666 3.093 1.00 0.00 C ATOM 219 CG PHE A 17 -1.361 3.755 1.959 1.00 0.00 C ATOM 220 CD1 PHE A 17 -2.609 3.836 1.366 1.00 0.00 C ATOM 221 CD2 PHE A 17 -0.469 2.793 1.513 1.00 0.00 C ATOM 222 CE1 PHE A 17 -2.957 2.979 0.343 1.00 0.00 C ATOM 223 CE2 PHE A 17 -0.814 1.930 0.494 1.00 0.00 C ATOM 224 CZ PHE A 17 -2.059 2.023 -0.091 1.00 0.00 C ATOM 0 H PHE A 17 -0.475 5.741 5.277 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.677 4.296 4.361 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.351 5.674 2.876 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.087 4.720 3.181 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.317 4.577 1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.507 2.718 1.968 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -3.931 3.055 -0.118 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.111 1.183 0.155 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.332 1.348 -0.889 1.00 0.00 H new ATOM 234 N LEU A 18 0.039 2.475 4.961 1.00 0.00 N ATOM 235 CA LEU A 18 0.482 1.124 5.215 1.00 0.00 C ATOM 236 C LEU A 18 -0.289 0.557 6.396 1.00 0.00 C ATOM 237 O LEU A 18 -0.788 -0.549 6.323 1.00 0.00 O ATOM 238 CB LEU A 18 1.992 1.093 5.482 1.00 0.00 C ATOM 239 CG LEU A 18 2.872 1.647 4.357 1.00 0.00 C ATOM 240 CD1 LEU A 18 4.314 1.765 4.824 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.792 0.764 3.122 1.00 0.00 C ATOM 0 H LEU A 18 0.768 3.184 5.039 1.00 0.00 H new ATOM 0 HA LEU A 18 0.289 0.509 4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.194 1.660 6.391 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.288 0.062 5.677 1.00 0.00 H new ATOM 0 HG LEU A 18 2.503 2.639 4.094 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.928 2.160 4.014 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.365 2.438 5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.684 0.782 5.113 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.425 1.178 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.133 -0.241 3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.761 0.721 2.771 1.00 0.00 H new ATOM 253 N ASN A 19 -0.421 1.355 7.454 1.00 0.00 N ATOM 254 CA ASN A 19 -1.148 0.956 8.663 1.00 0.00 C ATOM 255 C ASN A 19 -2.529 0.420 8.347 1.00 0.00 C ATOM 256 O ASN A 19 -2.859 -0.712 8.708 1.00 0.00 O ATOM 257 CB ASN A 19 -1.293 2.144 9.610 1.00 0.00 C ATOM 258 CG ASN A 19 -0.086 2.331 10.493 1.00 0.00 C ATOM 259 OD1 ASN A 19 0.418 3.442 10.642 1.00 0.00 O ATOM 260 ND2 ASN A 19 0.347 1.258 11.139 1.00 0.00 N ATOM 0 H ASN A 19 -0.029 2.295 7.500 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.566 0.163 9.133 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.457 3.051 9.027 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.176 2.002 10.233 1.00 0.00 H new ATOM 0 HD21 ASN A 19 1.128 1.335 11.790 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.101 0.355 10.985 1.00 0.00 H new ATOM 267 N ARG A 20 -3.329 1.228 7.659 1.00 0.00 N ATOM 268 CA ARG A 20 -4.691 0.839 7.343 1.00 0.00 C ATOM 269 C ARG A 20 -4.709 -0.446 6.542 1.00 0.00 C ATOM 270 O ARG A 20 -5.326 -1.420 6.952 1.00 0.00 O ATOM 271 CB ARG A 20 -5.434 1.942 6.582 1.00 0.00 C ATOM 272 CG ARG A 20 -6.279 2.840 7.471 1.00 0.00 C ATOM 273 CD ARG A 20 -5.521 4.072 7.940 1.00 0.00 C ATOM 274 NE ARG A 20 -5.345 5.046 6.862 1.00 0.00 N ATOM 275 CZ ARG A 20 -5.021 6.325 7.049 1.00 0.00 C ATOM 276 NH1 ARG A 20 -4.818 6.796 8.273 1.00 0.00 N ATOM 277 NH2 ARG A 20 -4.912 7.141 6.009 1.00 0.00 N ATOM 0 H ARG A 20 -3.057 2.148 7.314 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.208 0.676 8.289 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.707 2.555 6.049 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.076 1.483 5.831 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.170 3.151 6.926 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.617 2.273 8.338 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.059 4.537 8.766 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.545 3.774 8.323 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.479 4.724 5.903 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.910 6.178 9.079 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.570 7.776 8.408 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.076 6.790 5.066 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.664 8.120 6.153 1.00 0.00 H new ATOM 291 N PHE A 21 -3.997 -0.455 5.428 1.00 0.00 N ATOM 292 CA PHE A 21 -3.971 -1.607 4.536 1.00 0.00 C ATOM 293 C PHE A 21 -3.465 -2.848 5.259 1.00 0.00 C ATOM 294 O PHE A 21 -4.074 -3.911 5.199 1.00 0.00 O ATOM 295 CB PHE A 21 -3.054 -1.309 3.352 1.00 0.00 C ATOM 296 CG PHE A 21 -3.072 -2.372 2.291 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.171 -2.534 1.464 1.00 0.00 C ATOM 298 CD2 PHE A 21 -1.983 -3.211 2.124 1.00 0.00 C ATOM 299 CE1 PHE A 21 -4.182 -3.513 0.489 1.00 0.00 C ATOM 300 CE2 PHE A 21 -1.988 -4.191 1.153 1.00 0.00 C ATOM 301 CZ PHE A 21 -3.088 -4.344 0.335 1.00 0.00 C ATOM 0 H PHE A 21 -3.424 0.329 5.116 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.987 -1.797 4.190 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.348 -0.359 2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.034 -1.188 3.716 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.029 -1.888 1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.119 -3.097 2.762 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -5.044 -3.629 -0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.131 -4.838 1.033 1.00 0.00 H new ATOM 0 HZ PHE A 21 -3.095 -5.112 -0.425 1.00 0.00 H new ATOM 311 N TYR A 22 -2.358 -2.670 5.953 1.00 0.00 N ATOM 312 CA TYR A 22 -1.633 -3.744 6.617 1.00 0.00 C ATOM 313 C TYR A 22 -2.532 -4.561 7.541 1.00 0.00 C ATOM 314 O TYR A 22 -2.528 -5.790 7.490 1.00 0.00 O ATOM 315 CB TYR A 22 -0.482 -3.104 7.387 1.00 0.00 C ATOM 316 CG TYR A 22 0.463 -4.045 8.078 1.00 0.00 C ATOM 317 CD1 TYR A 22 1.183 -4.985 7.360 1.00 0.00 C ATOM 318 CD2 TYR A 22 0.671 -3.956 9.447 1.00 0.00 C ATOM 319 CE1 TYR A 22 2.087 -5.811 7.985 1.00 0.00 C ATOM 320 CE2 TYR A 22 1.568 -4.785 10.082 1.00 0.00 C ATOM 321 CZ TYR A 22 2.274 -5.709 9.346 1.00 0.00 C ATOM 322 OH TYR A 22 3.189 -6.518 9.964 1.00 0.00 O ATOM 0 H TYR A 22 -1.925 -1.755 6.076 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.256 -4.449 5.876 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.093 -2.490 6.694 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.903 -2.432 8.135 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.032 -5.070 6.294 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.121 -3.226 10.023 1.00 0.00 H new ATOM 0 HE1 TYR A 22 2.647 -6.535 7.412 1.00 0.00 H new ATOM 0 HE2 TYR A 22 1.716 -4.711 11.149 1.00 0.00 H new ATOM 0 HH TYR A 22 2.789 -6.908 10.769 1.00 0.00 H new ATOM 332 N LYS A 23 -3.303 -3.890 8.381 1.00 0.00 N ATOM 333 CA LYS A 23 -4.188 -4.595 9.294 1.00 0.00 C ATOM 334 C LYS A 23 -5.529 -4.927 8.632 1.00 0.00 C ATOM 335 O LYS A 23 -6.059 -6.025 8.813 1.00 0.00 O ATOM 336 CB LYS A 23 -4.374 -3.793 10.591 1.00 0.00 C ATOM 337 CG LYS A 23 -4.807 -2.351 10.384 1.00 0.00 C ATOM 338 CD LYS A 23 -6.288 -2.149 10.659 1.00 0.00 C ATOM 339 CE LYS A 23 -6.585 -2.035 12.151 1.00 0.00 C ATOM 340 NZ LYS A 23 -6.302 -3.288 12.901 1.00 0.00 N ATOM 0 H LYS A 23 -3.335 -2.873 8.450 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.722 -5.545 9.554 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.116 -4.296 11.211 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.436 -3.801 11.146 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.226 -1.702 11.039 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.586 -2.051 9.360 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.631 -1.247 10.152 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.851 -2.983 10.241 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.991 -1.224 12.573 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.633 -1.766 12.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.737 -3.234 13.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.697 -4.099 12.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.274 -3.408 13.000 1.00 0.00 H new ATOM 354 N SER A 24 -6.052 -4.000 7.830 1.00 0.00 N ATOM 355 CA SER A 24 -7.344 -4.187 7.167 1.00 0.00 C ATOM 356 C SER A 24 -7.314 -5.381 6.219 1.00 0.00 C ATOM 357 O SER A 24 -8.317 -6.066 6.040 1.00 0.00 O ATOM 358 CB SER A 24 -7.731 -2.921 6.402 1.00 0.00 C ATOM 359 OG SER A 24 -7.905 -1.831 7.296 1.00 0.00 O ATOM 0 H SER A 24 -5.600 -3.109 7.623 1.00 0.00 H new ATOM 0 HA SER A 24 -8.090 -4.386 7.936 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.958 -2.680 5.672 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.652 -3.093 5.846 1.00 0.00 H new ATOM 0 HG SER A 24 -7.031 -1.447 7.518 1.00 0.00 H new ATOM 365 N LEU A 25 -6.155 -5.626 5.625 1.00 0.00 N ATOM 366 CA LEU A 25 -5.971 -6.758 4.731 1.00 0.00 C ATOM 367 C LEU A 25 -6.203 -8.058 5.484 1.00 0.00 C ATOM 368 O LEU A 25 -6.877 -8.968 4.998 1.00 0.00 O ATOM 369 CB LEU A 25 -4.557 -6.737 4.153 1.00 0.00 C ATOM 370 CG LEU A 25 -4.416 -7.413 2.798 1.00 0.00 C ATOM 371 CD1 LEU A 25 -5.417 -6.826 1.816 1.00 0.00 C ATOM 372 CD2 LEU A 25 -2.996 -7.268 2.276 1.00 0.00 C ATOM 0 H LEU A 25 -5.322 -5.050 5.748 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.691 -6.688 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.231 -5.701 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.883 -7.223 4.859 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.626 -8.477 2.911 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.308 -7.316 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.429 -6.982 2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.233 -5.758 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.913 -7.758 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.753 -6.211 2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.302 -7.732 2.977 1.00 0.00 H new ATOM 384 N ILE A 26 -5.684 -8.111 6.701 1.00 0.00 N ATOM 385 CA ILE A 26 -5.768 -9.307 7.516 1.00 0.00 C ATOM 386 C ILE A 26 -7.180 -9.448 8.065 1.00 0.00 C ATOM 387 O ILE A 26 -7.723 -10.551 8.149 1.00 0.00 O ATOM 388 CB ILE A 26 -4.763 -9.249 8.688 1.00 0.00 C ATOM 389 CG1 ILE A 26 -3.373 -8.836 8.188 1.00 0.00 C ATOM 390 CG2 ILE A 26 -4.698 -10.588 9.409 1.00 0.00 C ATOM 391 CD1 ILE A 26 -2.762 -9.783 7.177 1.00 0.00 C ATOM 0 H ILE A 26 -5.198 -7.333 7.146 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.523 -10.167 6.893 1.00 0.00 H new ATOM 0 HB ILE A 26 -5.109 -8.497 9.397 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.441 -7.844 7.742 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.702 -8.756 9.043 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.984 -10.525 10.230 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.683 -10.837 9.803 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.380 -11.362 8.711 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.781 -9.413 6.879 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.657 -10.772 7.622 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.408 -9.846 6.301 1.00 0.00 H new ATOM 403 N ASP A 27 -7.764 -8.308 8.423 1.00 0.00 N ATOM 404 CA ASP A 27 -9.146 -8.245 8.887 1.00 0.00 C ATOM 405 C ASP A 27 -10.092 -8.777 7.823 1.00 0.00 C ATOM 406 O ASP A 27 -10.986 -9.575 8.109 1.00 0.00 O ATOM 407 CB ASP A 27 -9.519 -6.800 9.231 1.00 0.00 C ATOM 408 CG ASP A 27 -11.008 -6.619 9.447 1.00 0.00 C ATOM 409 OD1 ASP A 27 -11.514 -7.030 10.510 1.00 0.00 O ATOM 410 OD2 ASP A 27 -11.679 -6.057 8.557 1.00 0.00 O ATOM 0 H ASP A 27 -7.293 -7.403 8.400 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.237 -8.864 9.780 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.985 -6.495 10.131 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.189 -6.142 8.427 1.00 0.00 H new ATOM 415 N ARG A 28 -9.875 -8.335 6.593 1.00 0.00 N ATOM 416 CA ARG A 28 -10.683 -8.768 5.464 1.00 0.00 C ATOM 417 C ARG A 28 -10.404 -10.230 5.118 1.00 0.00 C ATOM 418 O ARG A 28 -11.239 -10.901 4.515 1.00 0.00 O ATOM 419 CB ARG A 28 -10.426 -7.854 4.265 1.00 0.00 C ATOM 420 CG ARG A 28 -11.036 -6.471 4.433 1.00 0.00 C ATOM 421 CD ARG A 28 -10.506 -5.478 3.409 1.00 0.00 C ATOM 422 NE ARG A 28 -10.766 -5.889 2.030 1.00 0.00 N ATOM 423 CZ ARG A 28 -11.826 -5.504 1.321 1.00 0.00 C ATOM 424 NH1 ARG A 28 -12.778 -4.763 1.879 1.00 0.00 N ATOM 425 NH2 ARG A 28 -11.931 -5.868 0.053 1.00 0.00 N ATOM 0 H ARG A 28 -9.139 -7.671 6.351 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.736 -8.697 5.736 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -9.351 -7.755 4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.833 -8.318 3.367 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.120 -6.541 4.341 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.824 -6.102 5.437 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.963 -4.504 3.585 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.432 -5.357 3.550 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.092 -6.510 1.582 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.700 -4.485 2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.586 -4.472 1.329 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.203 -6.440 -0.375 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.740 -5.577 -0.496 1.00 0.00 H new ATOM 439 N GLY A 29 -9.226 -10.714 5.494 1.00 0.00 N ATOM 440 CA GLY A 29 -8.903 -12.117 5.314 1.00 0.00 C ATOM 441 C GLY A 29 -8.142 -12.353 4.034 1.00 0.00 C ATOM 442 O GLY A 29 -7.682 -13.462 3.755 1.00 0.00 O ATOM 0 H GLY A 29 -8.486 -10.157 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.310 -12.466 6.160 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.821 -12.704 5.305 1.00 0.00 H new ATOM 446 N VAL A 30 -8.007 -11.294 3.262 1.00 0.00 N ATOM 447 CA VAL A 30 -7.293 -11.341 2.004 1.00 0.00 C ATOM 448 C VAL A 30 -5.807 -11.106 2.234 1.00 0.00 C ATOM 449 O VAL A 30 -5.414 -10.103 2.819 1.00 0.00 O ATOM 450 CB VAL A 30 -7.858 -10.305 0.992 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.674 -9.239 1.702 1.00 0.00 C ATOM 452 CG2 VAL A 30 -6.742 -9.647 0.198 1.00 0.00 C ATOM 0 H VAL A 30 -8.390 -10.376 3.490 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.432 -12.333 1.575 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.506 -10.847 0.303 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.057 -8.527 0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.508 -9.707 2.225 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.043 -8.716 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.168 -8.928 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.065 -9.133 0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.191 -10.408 -0.355 1.00 0.00 H new ATOM 462 N ASN A 31 -4.995 -12.059 1.813 1.00 0.00 N ATOM 463 CA ASN A 31 -3.550 -11.912 1.873 1.00 0.00 C ATOM 464 C ASN A 31 -2.870 -13.066 1.148 1.00 0.00 C ATOM 465 O ASN A 31 -3.549 -13.925 0.582 1.00 0.00 O ATOM 466 CB ASN A 31 -3.110 -11.869 3.331 1.00 0.00 C ATOM 467 CG ASN A 31 -1.793 -11.139 3.538 1.00 0.00 C ATOM 468 OD1 ASN A 31 -1.518 -10.152 2.694 1.00 0.00 O flip ATOM 469 ND2 ASN A 31 -1.034 -11.460 4.446 1.00 0.00 N flip ATOM 0 H ASN A 31 -5.312 -12.947 1.424 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.261 -10.983 1.381 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.885 -11.382 3.923 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -3.016 -12.888 3.706 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.284 -12.225 5.073 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -0.153 -10.962 4.574 1.00 0.00 H new ATOM 476 N PHE A 32 -1.534 -13.068 1.168 1.00 0.00 N ATOM 477 CA PHE A 32 -0.712 -14.120 0.552 1.00 0.00 C ATOM 478 C PHE A 32 -0.750 -14.061 -0.973 1.00 0.00 C ATOM 479 O PHE A 32 0.289 -13.924 -1.615 1.00 0.00 O ATOM 480 CB PHE A 32 -1.118 -15.511 1.053 1.00 0.00 C ATOM 481 CG PHE A 32 -0.868 -15.702 2.520 1.00 0.00 C ATOM 482 CD1 PHE A 32 0.407 -15.985 2.983 1.00 0.00 C ATOM 483 CD2 PHE A 32 -1.900 -15.587 3.436 1.00 0.00 C ATOM 484 CE1 PHE A 32 0.646 -16.151 4.332 1.00 0.00 C ATOM 485 CE2 PHE A 32 -1.667 -15.748 4.786 1.00 0.00 C ATOM 486 CZ PHE A 32 -0.392 -16.032 5.234 1.00 0.00 C ATOM 0 H PHE A 32 -0.985 -12.334 1.616 1.00 0.00 H new ATOM 0 HA PHE A 32 0.317 -13.934 0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.176 -15.671 0.847 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.567 -16.267 0.495 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.222 -16.077 2.281 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.899 -15.369 3.089 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.643 -16.374 4.681 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.480 -15.652 5.491 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.207 -16.161 6.290 1.00 0.00 H new ATOM 496 N SER A 33 -1.938 -14.167 -1.548 1.00 0.00 N ATOM 497 CA SER A 33 -2.103 -14.086 -2.990 1.00 0.00 C ATOM 498 C SER A 33 -1.705 -12.698 -3.488 1.00 0.00 C ATOM 499 O SER A 33 -2.403 -11.713 -3.239 1.00 0.00 O ATOM 500 CB SER A 33 -3.555 -14.386 -3.359 1.00 0.00 C ATOM 501 OG SER A 33 -3.998 -15.576 -2.725 1.00 0.00 O ATOM 0 H SER A 33 -2.807 -14.310 -1.034 1.00 0.00 H new ATOM 0 HA SER A 33 -1.456 -14.823 -3.466 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.191 -13.552 -3.062 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.647 -14.488 -4.440 1.00 0.00 H new ATOM 0 HG SER A 33 -4.930 -15.751 -2.972 1.00 0.00 H new ATOM 507 N LEU A 34 -0.573 -12.635 -4.186 1.00 0.00 N ATOM 508 CA LEU A 34 -0.015 -11.370 -4.653 1.00 0.00 C ATOM 509 C LEU A 34 -0.974 -10.634 -5.576 1.00 0.00 C ATOM 510 O LEU A 34 -1.080 -9.410 -5.515 1.00 0.00 O ATOM 511 CB LEU A 34 1.327 -11.591 -5.361 1.00 0.00 C ATOM 512 CG LEU A 34 2.545 -11.725 -4.440 1.00 0.00 C ATOM 513 CD1 LEU A 34 2.535 -10.639 -3.386 1.00 0.00 C ATOM 514 CD2 LEU A 34 2.610 -13.092 -3.783 1.00 0.00 C ATOM 0 H LEU A 34 -0.021 -13.454 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 34 0.147 -10.749 -3.772 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.253 -12.492 -5.970 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.499 -10.759 -6.043 1.00 0.00 H new ATOM 0 HG LEU A 34 3.435 -11.613 -5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.407 -10.750 -2.741 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.563 -9.662 -3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.628 -10.722 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.488 -13.145 -3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.712 -13.252 -3.186 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.677 -13.862 -4.551 1.00 0.00 H new ATOM 526 N ASP A 35 -1.681 -11.381 -6.413 1.00 0.00 N ATOM 527 CA ASP A 35 -2.656 -10.794 -7.329 1.00 0.00 C ATOM 528 C ASP A 35 -3.762 -10.104 -6.542 1.00 0.00 C ATOM 529 O ASP A 35 -4.253 -9.041 -6.919 1.00 0.00 O ATOM 530 CB ASP A 35 -3.256 -11.882 -8.227 1.00 0.00 C ATOM 531 CG ASP A 35 -4.174 -11.328 -9.300 1.00 0.00 C ATOM 532 OD1 ASP A 35 -5.376 -11.131 -9.022 1.00 0.00 O ATOM 533 OD2 ASP A 35 -3.701 -11.113 -10.438 1.00 0.00 O ATOM 0 H ASP A 35 -1.599 -12.396 -6.478 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.152 -10.057 -7.954 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.448 -12.440 -8.701 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -3.812 -12.588 -7.610 1.00 0.00 H new ATOM 538 N THR A 36 -4.119 -10.705 -5.420 1.00 0.00 N ATOM 539 CA THR A 36 -5.196 -10.210 -4.587 1.00 0.00 C ATOM 540 C THR A 36 -4.737 -9.050 -3.712 1.00 0.00 C ATOM 541 O THR A 36 -5.472 -8.080 -3.529 1.00 0.00 O ATOM 542 CB THR A 36 -5.761 -11.354 -3.723 1.00 0.00 C ATOM 543 OG1 THR A 36 -6.166 -12.433 -4.577 1.00 0.00 O ATOM 544 CG2 THR A 36 -6.940 -10.898 -2.878 1.00 0.00 C ATOM 0 H THR A 36 -3.670 -11.548 -5.063 1.00 0.00 H new ATOM 0 HA THR A 36 -5.985 -9.834 -5.239 1.00 0.00 H new ATOM 0 HB THR A 36 -4.977 -11.683 -3.042 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.525 -13.164 -4.032 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.308 -11.735 -2.285 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.622 -10.094 -2.214 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.736 -10.537 -3.529 1.00 0.00 H new ATOM 552 N ILE A 37 -3.519 -9.132 -3.196 1.00 0.00 N ATOM 553 CA ILE A 37 -2.956 -8.031 -2.433 1.00 0.00 C ATOM 554 C ILE A 37 -2.824 -6.813 -3.338 1.00 0.00 C ATOM 555 O ILE A 37 -3.024 -5.674 -2.914 1.00 0.00 O ATOM 556 CB ILE A 37 -1.575 -8.397 -1.847 1.00 0.00 C ATOM 557 CG1 ILE A 37 -1.688 -9.649 -0.973 1.00 0.00 C ATOM 558 CG2 ILE A 37 -1.009 -7.236 -1.040 1.00 0.00 C ATOM 559 CD1 ILE A 37 -0.356 -10.159 -0.473 1.00 0.00 C ATOM 0 H ILE A 37 -2.907 -9.943 -3.291 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.624 -7.811 -1.600 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.893 -8.605 -2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -2.328 -9.429 -0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.179 -10.437 -1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -0.036 -7.514 -0.636 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.898 -6.364 -1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.687 -6.997 -0.221 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -0.513 -11.047 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.279 -10.411 -1.322 1.00 0.00 H new ATOM 0 HD13 ILE A 37 0.128 -9.387 0.125 1.00 0.00 H new ATOM 571 N GLU A 38 -2.520 -7.078 -4.601 1.00 0.00 N ATOM 572 CA GLU A 38 -2.360 -6.027 -5.586 1.00 0.00 C ATOM 573 C GLU A 38 -3.714 -5.433 -5.960 1.00 0.00 C ATOM 574 O GLU A 38 -3.850 -4.221 -6.126 1.00 0.00 O ATOM 575 CB GLU A 38 -1.630 -6.579 -6.813 1.00 0.00 C ATOM 576 CG GLU A 38 -0.804 -5.543 -7.553 1.00 0.00 C ATOM 577 CD GLU A 38 0.285 -6.169 -8.401 1.00 0.00 C ATOM 578 OE1 GLU A 38 0.012 -6.509 -9.571 1.00 0.00 O ATOM 579 OE2 GLU A 38 1.419 -6.341 -7.894 1.00 0.00 O ATOM 0 H GLU A 38 -2.379 -8.020 -4.966 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.758 -5.223 -5.162 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.977 -7.394 -6.500 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.363 -7.003 -7.499 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.459 -4.948 -8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.353 -4.861 -6.833 1.00 0.00 H new ATOM 586 N LYS A 39 -4.719 -6.296 -6.060 1.00 0.00 N ATOM 587 CA LYS A 39 -6.089 -5.869 -6.311 1.00 0.00 C ATOM 588 C LYS A 39 -6.537 -4.915 -5.204 1.00 0.00 C ATOM 589 O LYS A 39 -7.073 -3.839 -5.470 1.00 0.00 O ATOM 590 CB LYS A 39 -7.006 -7.107 -6.363 1.00 0.00 C ATOM 591 CG LYS A 39 -8.385 -6.879 -6.987 1.00 0.00 C ATOM 592 CD LYS A 39 -9.311 -6.048 -6.106 1.00 0.00 C ATOM 593 CE LYS A 39 -9.565 -6.704 -4.754 1.00 0.00 C ATOM 594 NZ LYS A 39 -10.293 -7.995 -4.872 1.00 0.00 N ATOM 0 H LYS A 39 -4.607 -7.306 -5.970 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.147 -5.347 -7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.498 -7.891 -6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.143 -7.479 -5.348 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.264 -6.380 -7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.851 -7.844 -7.185 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.874 -5.061 -5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.261 -5.899 -6.620 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.612 -6.873 -4.252 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.140 -6.023 -4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.514 -8.357 -3.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.176 -7.848 -5.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.698 -8.684 -5.375 1.00 0.00 H new ATOM 608 N GLU A 40 -6.285 -5.319 -3.968 1.00 0.00 N ATOM 609 CA GLU A 40 -6.719 -4.565 -2.801 1.00 0.00 C ATOM 610 C GLU A 40 -5.969 -3.252 -2.676 1.00 0.00 C ATOM 611 O GLU A 40 -6.569 -2.236 -2.345 1.00 0.00 O ATOM 612 CB GLU A 40 -6.545 -5.390 -1.527 1.00 0.00 C ATOM 613 CG GLU A 40 -7.437 -6.617 -1.468 1.00 0.00 C ATOM 614 CD GLU A 40 -8.907 -6.283 -1.298 1.00 0.00 C ATOM 615 OE1 GLU A 40 -9.393 -5.337 -1.949 1.00 0.00 O ATOM 616 OE2 GLU A 40 -9.590 -6.984 -0.525 1.00 0.00 O ATOM 0 H GLU A 40 -5.776 -6.175 -3.746 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.777 -4.340 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.504 -5.704 -1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.754 -4.758 -0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.307 -7.197 -2.382 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.117 -7.250 -0.640 1.00 0.00 H new ATOM 623 N LEU A 41 -4.665 -3.272 -2.929 1.00 0.00 N ATOM 624 CA LEU A 41 -3.879 -2.045 -2.926 1.00 0.00 C ATOM 625 C LEU A 41 -4.477 -1.039 -3.896 1.00 0.00 C ATOM 626 O LEU A 41 -4.646 0.128 -3.566 1.00 0.00 O ATOM 627 CB LEU A 41 -2.420 -2.329 -3.288 1.00 0.00 C ATOM 628 CG LEU A 41 -1.516 -2.677 -2.104 1.00 0.00 C ATOM 629 CD1 LEU A 41 -0.148 -3.123 -2.588 1.00 0.00 C ATOM 630 CD2 LEU A 41 -1.380 -1.481 -1.176 1.00 0.00 C ATOM 0 H LEU A 41 -4.134 -4.117 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.903 -1.625 -1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.392 -3.153 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -2.010 -1.455 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.972 -3.500 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.480 -3.366 -1.731 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.255 -4.004 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.315 -2.320 -3.161 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.734 -1.742 -0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.945 -0.644 -1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.364 -1.197 -0.801 1.00 0.00 H new ATOM 642 N ILE A 42 -4.828 -1.515 -5.079 1.00 0.00 N ATOM 643 CA ILE A 42 -5.446 -0.676 -6.092 1.00 0.00 C ATOM 644 C ILE A 42 -6.797 -0.136 -5.613 1.00 0.00 C ATOM 645 O ILE A 42 -7.032 1.078 -5.634 1.00 0.00 O ATOM 646 CB ILE A 42 -5.608 -1.459 -7.413 1.00 0.00 C ATOM 647 CG1 ILE A 42 -4.234 -1.696 -8.050 1.00 0.00 C ATOM 648 CG2 ILE A 42 -6.534 -0.730 -8.373 1.00 0.00 C ATOM 649 CD1 ILE A 42 -4.274 -2.551 -9.296 1.00 0.00 C ATOM 0 H ILE A 42 -4.694 -2.486 -5.363 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.791 0.177 -6.272 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.063 -2.424 -7.191 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.788 -0.732 -8.297 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.582 -2.170 -7.317 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.629 -1.305 -9.294 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.516 -0.615 -7.914 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.122 0.253 -8.600 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.264 -2.672 -9.687 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.689 -3.529 -9.053 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.898 -2.069 -10.048 1.00 0.00 H new ATOM 661 N SER A 43 -7.669 -1.032 -5.160 1.00 0.00 N ATOM 662 CA SER A 43 -8.985 -0.638 -4.669 1.00 0.00 C ATOM 663 C SER A 43 -8.869 0.340 -3.499 1.00 0.00 C ATOM 664 O SER A 43 -9.520 1.385 -3.480 1.00 0.00 O ATOM 665 CB SER A 43 -9.776 -1.874 -4.235 1.00 0.00 C ATOM 666 OG SER A 43 -9.980 -2.762 -5.322 1.00 0.00 O ATOM 0 H SER A 43 -7.488 -2.035 -5.123 1.00 0.00 H new ATOM 0 HA SER A 43 -9.511 -0.138 -5.482 1.00 0.00 H new ATOM 0 HB2 SER A 43 -9.241 -2.389 -3.437 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.739 -1.567 -3.827 1.00 0.00 H new ATOM 0 HG SER A 43 -10.486 -3.543 -5.016 1.00 0.00 H new ATOM 672 N PHE A 44 -8.011 0.002 -2.547 1.00 0.00 N ATOM 673 CA PHE A 44 -7.840 0.785 -1.329 1.00 0.00 C ATOM 674 C PHE A 44 -7.256 2.159 -1.647 1.00 0.00 C ATOM 675 O PHE A 44 -7.615 3.158 -1.023 1.00 0.00 O ATOM 676 CB PHE A 44 -6.920 0.029 -0.365 1.00 0.00 C ATOM 677 CG PHE A 44 -6.962 0.521 1.051 1.00 0.00 C ATOM 678 CD1 PHE A 44 -7.875 -0.010 1.948 1.00 0.00 C ATOM 679 CD2 PHE A 44 -6.085 1.498 1.490 1.00 0.00 C ATOM 680 CE1 PHE A 44 -7.914 0.429 3.255 1.00 0.00 C ATOM 681 CE2 PHE A 44 -6.121 1.940 2.797 1.00 0.00 C ATOM 682 CZ PHE A 44 -7.037 1.404 3.681 1.00 0.00 C ATOM 0 H PHE A 44 -7.413 -0.823 -2.596 1.00 0.00 H new ATOM 0 HA PHE A 44 -8.814 0.932 -0.863 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.191 -1.027 -0.377 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.895 0.100 -0.730 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -8.563 -0.775 1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.366 1.918 0.803 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.631 0.009 3.945 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.434 2.704 3.128 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.066 1.748 4.704 1.00 0.00 H new ATOM 692 N CYS A 45 -6.364 2.199 -2.627 1.00 0.00 N ATOM 693 CA CYS A 45 -5.699 3.436 -3.018 1.00 0.00 C ATOM 694 C CYS A 45 -6.643 4.416 -3.687 1.00 0.00 C ATOM 695 O CYS A 45 -6.479 5.626 -3.558 1.00 0.00 O ATOM 696 CB CYS A 45 -4.533 3.140 -3.947 1.00 0.00 C ATOM 697 SG CYS A 45 -3.001 2.736 -3.069 1.00 0.00 S ATOM 0 H CYS A 45 -6.082 1.383 -3.170 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.335 3.900 -2.101 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.800 2.309 -4.600 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.359 4.005 -4.587 1.00 0.00 H new ATOM 702 N LEU A 46 -7.615 3.909 -4.421 1.00 0.00 N ATOM 703 CA LEU A 46 -8.585 4.780 -5.056 1.00 0.00 C ATOM 704 C LEU A 46 -9.710 5.104 -4.080 1.00 0.00 C ATOM 705 O LEU A 46 -10.292 6.191 -4.117 1.00 0.00 O ATOM 706 CB LEU A 46 -9.141 4.132 -6.317 1.00 0.00 C ATOM 707 CG LEU A 46 -8.092 3.698 -7.345 1.00 0.00 C ATOM 708 CD1 LEU A 46 -8.754 2.982 -8.512 1.00 0.00 C ATOM 709 CD2 LEU A 46 -7.297 4.899 -7.839 1.00 0.00 C ATOM 0 H LEU A 46 -7.753 2.913 -4.591 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.090 5.708 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.727 3.259 -6.029 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.826 4.833 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.403 3.006 -6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.994 2.681 -9.233 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.278 2.099 -8.147 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.465 3.653 -8.994 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.557 4.570 -8.569 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.973 5.616 -8.305 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.791 5.372 -6.997 1.00 0.00 H new ATOM 721 N ASP A 47 -10.007 4.154 -3.199 1.00 0.00 N ATOM 722 CA ASP A 47 -11.025 4.344 -2.173 1.00 0.00 C ATOM 723 C ASP A 47 -10.396 4.899 -0.900 1.00 0.00 C ATOM 724 O ASP A 47 -10.273 4.213 0.112 1.00 0.00 O ATOM 725 CB ASP A 47 -11.755 3.029 -1.884 1.00 0.00 C ATOM 726 CG ASP A 47 -12.837 3.179 -0.830 1.00 0.00 C ATOM 727 OD1 ASP A 47 -13.891 3.775 -1.134 1.00 0.00 O ATOM 728 OD2 ASP A 47 -12.641 2.688 0.304 1.00 0.00 O ATOM 0 H ASP A 47 -9.554 3.240 -3.176 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.756 5.064 -2.542 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.201 2.656 -2.806 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.033 2.282 -1.554 1.00 0.00 H new ATOM 733 N THR A 48 -9.974 6.147 -0.978 1.00 0.00 N ATOM 734 CA THR A 48 -9.394 6.853 0.154 1.00 0.00 C ATOM 735 C THR A 48 -9.493 8.354 -0.085 1.00 0.00 C ATOM 736 O THR A 48 -10.279 8.787 -0.935 1.00 0.00 O ATOM 737 CB THR A 48 -7.924 6.450 0.388 1.00 0.00 C ATOM 738 OG1 THR A 48 -7.379 5.865 -0.798 1.00 0.00 O ATOM 739 CG2 THR A 48 -7.804 5.466 1.541 1.00 0.00 C ATOM 0 H THR A 48 -10.023 6.704 -1.831 1.00 0.00 H new ATOM 0 HA THR A 48 -9.953 6.580 1.049 1.00 0.00 H new ATOM 0 HB THR A 48 -7.365 7.351 0.640 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.294 6.552 -1.492 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.757 5.199 1.684 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.189 5.924 2.452 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.380 4.569 1.315 1.00 0.00 H new ATOM 747 N LYS A 49 -8.721 9.152 0.637 1.00 0.00 N ATOM 748 CA LYS A 49 -8.768 10.591 0.441 1.00 0.00 C ATOM 749 C LYS A 49 -7.679 11.049 -0.505 1.00 0.00 C ATOM 750 O LYS A 49 -6.782 10.286 -0.845 1.00 0.00 O ATOM 751 CB LYS A 49 -8.657 11.338 1.773 1.00 0.00 C ATOM 752 CG LYS A 49 -9.655 10.875 2.828 1.00 0.00 C ATOM 753 CD LYS A 49 -11.097 11.094 2.389 1.00 0.00 C ATOM 754 CE LYS A 49 -11.402 12.568 2.173 1.00 0.00 C ATOM 755 NZ LYS A 49 -12.832 12.797 1.836 1.00 0.00 N ATOM 0 H LYS A 49 -8.066 8.834 1.351 1.00 0.00 H new ATOM 0 HA LYS A 49 -9.735 10.825 -0.004 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.647 11.215 2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.801 12.403 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -9.497 9.817 3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -9.474 11.413 3.758 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -11.284 10.545 1.466 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -11.772 10.689 3.143 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -11.148 13.127 3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -10.774 12.954 1.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -12.997 13.814 1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -13.069 12.285 0.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -13.431 12.452 2.613 1.00 0.00 H new ATOM 769 N GLY A 50 -7.765 12.312 -0.899 1.00 0.00 N ATOM 770 CA GLY A 50 -6.945 12.831 -1.970 1.00 0.00 C ATOM 771 C GLY A 50 -5.465 12.600 -1.783 1.00 0.00 C ATOM 772 O GLY A 50 -4.798 12.128 -2.697 1.00 0.00 O ATOM 0 H GLY A 50 -8.400 12.995 -0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.258 12.371 -2.908 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -7.125 13.902 -2.064 1.00 0.00 H new ATOM 776 N LYS A 51 -4.942 12.913 -0.607 1.00 0.00 N ATOM 777 CA LYS A 51 -3.516 12.752 -0.362 1.00 0.00 C ATOM 778 C LYS A 51 -3.112 11.286 -0.356 1.00 0.00 C ATOM 779 O LYS A 51 -1.969 10.955 -0.653 1.00 0.00 O ATOM 780 CB LYS A 51 -3.095 13.434 0.937 1.00 0.00 C ATOM 781 CG LYS A 51 -2.348 14.737 0.706 1.00 0.00 C ATOM 782 CD LYS A 51 -3.146 15.707 -0.149 1.00 0.00 C ATOM 783 CE LYS A 51 -2.292 16.881 -0.598 1.00 0.00 C ATOM 784 NZ LYS A 51 -3.043 17.803 -1.489 1.00 0.00 N ATOM 0 H LYS A 51 -5.475 13.275 0.184 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.992 13.239 -1.184 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.980 13.631 1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.463 12.755 1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.123 15.201 1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.394 14.527 0.222 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.540 15.186 -1.022 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -4.003 16.073 0.417 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.939 17.428 0.276 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.410 16.510 -1.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.426 18.590 -1.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.359 17.288 -2.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.871 18.177 -0.983 1.00 0.00 H new ATOM 798 N GLU A 52 -4.056 10.413 -0.039 1.00 0.00 N ATOM 799 CA GLU A 52 -3.807 8.981 -0.078 1.00 0.00 C ATOM 800 C GLU A 52 -3.855 8.490 -1.523 1.00 0.00 C ATOM 801 O GLU A 52 -2.945 7.806 -1.992 1.00 0.00 O ATOM 802 CB GLU A 52 -4.849 8.238 0.757 1.00 0.00 C ATOM 803 CG GLU A 52 -4.912 8.696 2.202 1.00 0.00 C ATOM 804 CD GLU A 52 -6.034 8.036 2.973 1.00 0.00 C ATOM 805 OE1 GLU A 52 -5.806 6.961 3.562 1.00 0.00 O ATOM 806 OE2 GLU A 52 -7.153 8.592 2.999 1.00 0.00 O ATOM 0 H GLU A 52 -5.000 10.671 0.248 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.819 8.783 0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.830 8.371 0.300 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.628 7.171 0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.963 8.477 2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.043 9.778 2.231 1.00 0.00 H new ATOM 813 N ASN A 53 -4.922 8.877 -2.228 1.00 0.00 N ATOM 814 CA ASN A 53 -5.105 8.512 -3.634 1.00 0.00 C ATOM 815 C ASN A 53 -3.917 9.020 -4.451 1.00 0.00 C ATOM 816 O ASN A 53 -3.408 8.332 -5.335 1.00 0.00 O ATOM 817 CB ASN A 53 -6.416 9.102 -4.206 1.00 0.00 C ATOM 818 CG ASN A 53 -7.625 8.942 -3.311 1.00 0.00 C ATOM 819 OD1 ASN A 53 -7.709 7.830 -2.616 1.00 0.00 O flip ATOM 820 ND2 ASN A 53 -8.508 9.801 -3.284 1.00 0.00 N flip ATOM 0 H ASN A 53 -5.676 9.447 -1.844 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.167 7.426 -3.697 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.265 10.163 -4.403 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.625 8.626 -5.164 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.408 10.652 -3.837 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.338 9.661 -2.709 1.00 0.00 H new ATOM 827 N ARG A 54 -3.475 10.234 -4.126 1.00 0.00 N ATOM 828 CA ARG A 54 -2.340 10.867 -4.791 1.00 0.00 C ATOM 829 C ARG A 54 -1.026 10.170 -4.428 1.00 0.00 C ATOM 830 O ARG A 54 -0.159 9.975 -5.284 1.00 0.00 O ATOM 831 CB ARG A 54 -2.273 12.348 -4.399 1.00 0.00 C ATOM 832 CG ARG A 54 -1.124 13.119 -5.032 1.00 0.00 C ATOM 833 CD ARG A 54 -1.230 13.150 -6.548 1.00 0.00 C ATOM 834 NE ARG A 54 -0.185 13.978 -7.148 1.00 0.00 N ATOM 835 CZ ARG A 54 0.825 13.499 -7.873 1.00 0.00 C ATOM 836 NH1 ARG A 54 0.931 12.192 -8.084 1.00 0.00 N ATOM 837 NH2 ARG A 54 1.729 14.328 -8.382 1.00 0.00 N ATOM 0 H ARG A 54 -3.895 10.806 -3.393 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.481 10.780 -5.868 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.212 12.827 -4.677 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.188 12.420 -3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.116 14.139 -4.648 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.177 12.662 -4.743 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.158 12.135 -6.938 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -2.209 13.534 -6.836 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.232 14.986 -7.002 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.239 11.554 -7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.705 11.826 -8.639 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.650 15.332 -8.218 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.502 13.961 -8.937 1.00 0.00 H new ATOM 851 N LEU A 55 -0.891 9.796 -3.160 1.00 0.00 N ATOM 852 CA LEU A 55 0.323 9.151 -2.666 1.00 0.00 C ATOM 853 C LEU A 55 0.573 7.832 -3.383 1.00 0.00 C ATOM 854 O LEU A 55 1.718 7.450 -3.629 1.00 0.00 O ATOM 855 CB LEU A 55 0.218 8.893 -1.160 1.00 0.00 C ATOM 856 CG LEU A 55 1.445 8.238 -0.528 1.00 0.00 C ATOM 857 CD1 LEU A 55 2.618 9.203 -0.521 1.00 0.00 C ATOM 858 CD2 LEU A 55 1.124 7.762 0.879 1.00 0.00 C ATOM 0 H LEU A 55 -1.612 9.929 -2.451 1.00 0.00 H new ATOM 0 HA LEU A 55 1.157 9.824 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.032 9.842 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.649 8.259 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 55 1.725 7.370 -1.125 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.484 8.720 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.858 9.491 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.355 10.091 0.054 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.008 7.298 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.821 8.612 1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.313 7.035 0.841 1.00 0.00 H new ATOM 870 N CYS A 56 -0.500 7.146 -3.730 1.00 0.00 N ATOM 871 CA CYS A 56 -0.401 5.838 -4.352 1.00 0.00 C ATOM 872 C CYS A 56 0.177 5.898 -5.761 1.00 0.00 C ATOM 873 O CYS A 56 0.593 4.877 -6.303 1.00 0.00 O ATOM 874 CB CYS A 56 -1.755 5.151 -4.343 1.00 0.00 C ATOM 875 SG CYS A 56 -2.234 4.568 -2.691 1.00 0.00 S ATOM 0 H CYS A 56 -1.455 7.475 -3.591 1.00 0.00 H new ATOM 0 HA CYS A 56 0.300 5.249 -3.760 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -2.511 5.843 -4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -1.733 4.305 -5.030 1.00 0.00 H new ATOM 880 N TYR A 57 0.230 7.087 -6.350 1.00 0.00 N ATOM 881 CA TYR A 57 0.926 7.255 -7.620 1.00 0.00 C ATOM 882 C TYR A 57 2.422 7.057 -7.409 1.00 0.00 C ATOM 883 O TYR A 57 3.140 6.611 -8.305 1.00 0.00 O ATOM 884 CB TYR A 57 0.652 8.631 -8.228 1.00 0.00 C ATOM 885 CG TYR A 57 -0.734 8.774 -8.815 1.00 0.00 C ATOM 886 CD1 TYR A 57 -1.794 9.217 -8.041 1.00 0.00 C ATOM 887 CD2 TYR A 57 -0.978 8.468 -10.148 1.00 0.00 C ATOM 888 CE1 TYR A 57 -3.061 9.352 -8.574 1.00 0.00 C ATOM 889 CE2 TYR A 57 -2.242 8.601 -10.690 1.00 0.00 C ATOM 890 CZ TYR A 57 -3.280 9.043 -9.899 1.00 0.00 C ATOM 891 OH TYR A 57 -4.542 9.179 -10.433 1.00 0.00 O ATOM 0 H TYR A 57 -0.193 7.936 -5.976 1.00 0.00 H new ATOM 0 HA TYR A 57 0.554 6.506 -8.320 1.00 0.00 H new ATOM 0 HB2 TYR A 57 0.791 9.392 -7.460 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.388 8.827 -9.007 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -1.627 9.461 -7.002 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.167 8.121 -10.771 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.876 9.698 -7.956 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.415 8.360 -11.728 1.00 0.00 H new ATOM 0 HH TYR A 57 -4.527 8.922 -11.378 1.00 0.00 H new ATOM 901 N TYR A 58 2.881 7.380 -6.204 1.00 0.00 N ATOM 902 CA TYR A 58 4.271 7.174 -5.828 1.00 0.00 C ATOM 903 C TYR A 58 4.471 5.749 -5.320 1.00 0.00 C ATOM 904 O TYR A 58 5.480 5.111 -5.613 1.00 0.00 O ATOM 905 CB TYR A 58 4.691 8.180 -4.753 1.00 0.00 C ATOM 906 CG TYR A 58 4.519 9.623 -5.166 1.00 0.00 C ATOM 907 CD1 TYR A 58 5.298 10.170 -6.177 1.00 0.00 C ATOM 908 CD2 TYR A 58 3.575 10.439 -4.550 1.00 0.00 C ATOM 909 CE1 TYR A 58 5.147 11.487 -6.560 1.00 0.00 C ATOM 910 CE2 TYR A 58 3.419 11.759 -4.929 1.00 0.00 C ATOM 911 CZ TYR A 58 4.207 12.277 -5.933 1.00 0.00 C ATOM 912 OH TYR A 58 4.056 13.591 -6.315 1.00 0.00 O ATOM 0 H TYR A 58 2.304 7.788 -5.468 1.00 0.00 H new ATOM 0 HA TYR A 58 4.895 7.327 -6.709 1.00 0.00 H new ATOM 0 HB2 TYR A 58 4.107 7.998 -3.851 1.00 0.00 H new ATOM 0 HB3 TYR A 58 5.736 8.008 -4.496 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.034 9.554 -6.672 1.00 0.00 H new ATOM 0 HD2 TYR A 58 2.955 10.035 -3.764 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.762 11.897 -7.347 1.00 0.00 H new ATOM 0 HE2 TYR A 58 2.683 12.381 -4.441 1.00 0.00 H new ATOM 0 HH TYR A 58 3.352 14.009 -5.777 1.00 0.00 H new ATOM 922 N LEU A 59 3.489 5.260 -4.562 1.00 0.00 N ATOM 923 CA LEU A 59 3.529 3.903 -4.010 1.00 0.00 C ATOM 924 C LEU A 59 3.428 2.853 -5.117 1.00 0.00 C ATOM 925 O LEU A 59 3.974 1.759 -4.995 1.00 0.00 O ATOM 926 CB LEU A 59 2.396 3.703 -2.999 1.00 0.00 C ATOM 927 CG LEU A 59 2.512 4.516 -1.705 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.187 4.524 -0.963 1.00 0.00 C ATOM 929 CD2 LEU A 59 3.602 3.947 -0.806 1.00 0.00 C ATOM 0 H LEU A 59 2.651 5.786 -4.314 1.00 0.00 H new ATOM 0 HA LEU A 59 4.486 3.778 -3.504 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.453 3.956 -3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.347 2.645 -2.739 1.00 0.00 H new ATOM 0 HG LEU A 59 2.777 5.539 -1.972 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.287 5.106 -0.047 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.419 4.971 -1.594 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.903 3.501 -0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.667 4.539 0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 59 3.362 2.914 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.558 3.979 -1.328 1.00 0.00 H new ATOM 941 N GLY A 60 2.707 3.184 -6.182 1.00 0.00 N ATOM 942 CA GLY A 60 2.614 2.295 -7.324 1.00 0.00 C ATOM 943 C GLY A 60 1.246 1.660 -7.466 1.00 0.00 C ATOM 944 O GLY A 60 0.891 1.171 -8.539 1.00 0.00 O ATOM 0 H GLY A 60 2.184 4.055 -6.275 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.847 2.852 -8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.365 1.511 -7.230 1.00 0.00 H new ATOM 948 N ALA A 61 0.468 1.679 -6.393 1.00 0.00 N ATOM 949 CA ALA A 61 -0.847 1.049 -6.390 1.00 0.00 C ATOM 950 C ALA A 61 -1.893 1.942 -7.048 1.00 0.00 C ATOM 951 O ALA A 61 -2.798 2.457 -6.396 1.00 0.00 O ATOM 952 CB ALA A 61 -1.261 0.691 -4.971 1.00 0.00 C ATOM 0 H ALA A 61 0.724 2.124 -5.512 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.781 0.132 -6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -2.245 0.222 -4.986 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.535 -0.001 -4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.300 1.596 -4.364 1.00 0.00 H new ATOM 958 N THR A 62 -1.750 2.134 -8.346 1.00 0.00 N ATOM 959 CA THR A 62 -2.689 2.924 -9.120 1.00 0.00 C ATOM 960 C THR A 62 -2.634 2.470 -10.575 1.00 0.00 C ATOM 961 O THR A 62 -1.574 2.091 -11.067 1.00 0.00 O ATOM 962 CB THR A 62 -2.357 4.433 -9.026 1.00 0.00 C ATOM 963 OG1 THR A 62 -2.218 4.821 -7.655 1.00 0.00 O ATOM 964 CG2 THR A 62 -3.444 5.277 -9.670 1.00 0.00 C ATOM 0 H THR A 62 -0.981 1.747 -8.893 1.00 0.00 H new ATOM 0 HA THR A 62 -3.691 2.776 -8.718 1.00 0.00 H new ATOM 0 HB THR A 62 -1.420 4.600 -9.558 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.007 5.777 -7.605 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.182 6.332 -9.588 1.00 0.00 H new ATOM 0 HG22 THR A 62 -3.539 5.007 -10.722 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.392 5.098 -9.163 1.00 0.00 H new ATOM 972 N LYS A 63 -3.772 2.504 -11.261 1.00 0.00 N ATOM 973 CA LYS A 63 -3.843 2.039 -12.646 1.00 0.00 C ATOM 974 C LYS A 63 -3.237 3.070 -13.598 1.00 0.00 C ATOM 975 O LYS A 63 -3.254 2.901 -14.819 1.00 0.00 O ATOM 976 CB LYS A 63 -5.293 1.732 -13.027 1.00 0.00 C ATOM 977 CG LYS A 63 -5.936 0.667 -12.150 1.00 0.00 C ATOM 978 CD LYS A 63 -5.285 -0.697 -12.342 1.00 0.00 C ATOM 979 CE LYS A 63 -5.579 -1.276 -13.718 1.00 0.00 C ATOM 980 NZ LYS A 63 -4.941 -2.606 -13.903 1.00 0.00 N ATOM 0 H LYS A 63 -4.656 2.847 -10.884 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.261 1.122 -12.733 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.880 2.648 -12.962 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.326 1.405 -14.066 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.858 0.963 -11.104 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.999 0.598 -12.383 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.207 -0.607 -12.209 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.645 -1.383 -11.575 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.657 -1.368 -13.851 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.220 -0.590 -14.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.164 -2.969 -14.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.910 -2.514 -13.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.302 -3.267 -13.186 1.00 0.00 H new ATOM 994 N ASP A 64 -2.713 4.141 -13.021 1.00 0.00 N ATOM 995 CA ASP A 64 -1.941 5.130 -13.761 1.00 0.00 C ATOM 996 C ASP A 64 -0.583 5.308 -13.098 1.00 0.00 C ATOM 997 O ASP A 64 0.017 6.386 -13.144 1.00 0.00 O ATOM 998 CB ASP A 64 -2.673 6.474 -13.828 1.00 0.00 C ATOM 999 CG ASP A 64 -3.832 6.463 -14.803 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -3.584 6.398 -16.023 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -4.997 6.527 -14.353 1.00 0.00 O ATOM 0 H ASP A 64 -2.810 4.350 -12.027 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.810 4.772 -14.782 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.042 6.732 -12.835 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.968 7.253 -14.118 1.00 0.00 H new ATOM 1006 N ALA A 65 -0.112 4.241 -12.466 1.00 0.00 N ATOM 1007 CA ALA A 65 1.159 4.257 -11.763 1.00 0.00 C ATOM 1008 C ALA A 65 1.981 3.026 -12.121 1.00 0.00 C ATOM 1009 O ALA A 65 1.487 2.109 -12.781 1.00 0.00 O ATOM 1010 CB ALA A 65 0.928 4.323 -10.260 1.00 0.00 C ATOM 0 H ALA A 65 -0.599 3.346 -12.428 1.00 0.00 H new ATOM 0 HA ALA A 65 1.715 5.143 -12.069 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.888 4.334 -9.744 1.00 0.00 H new ATOM 0 HB2 ALA A 65 0.375 5.230 -10.016 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.355 3.452 -9.941 1.00 0.00 H new ATOM 1016 N ALA A 66 3.235 3.018 -11.692 1.00 0.00 N ATOM 1017 CA ALA A 66 4.141 1.916 -11.980 1.00 0.00 C ATOM 1018 C ALA A 66 3.855 0.722 -11.077 1.00 0.00 C ATOM 1019 O ALA A 66 3.991 0.804 -9.857 1.00 0.00 O ATOM 1020 CB ALA A 66 5.583 2.366 -11.822 1.00 0.00 C ATOM 0 H ALA A 66 3.650 3.768 -11.139 1.00 0.00 H new ATOM 0 HA ALA A 66 3.980 1.604 -13.012 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.250 1.532 -12.040 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.787 3.184 -12.513 1.00 0.00 H new ATOM 0 HB3 ALA A 66 5.748 2.705 -10.799 1.00 0.00 H new ATOM 1026 N THR A 67 3.469 -0.387 -11.688 1.00 0.00 N ATOM 1027 CA THR A 67 3.139 -1.598 -10.952 1.00 0.00 C ATOM 1028 C THR A 67 4.389 -2.283 -10.401 1.00 0.00 C ATOM 1029 O THR A 67 4.294 -3.168 -9.554 1.00 0.00 O ATOM 1030 CB THR A 67 2.351 -2.594 -11.826 1.00 0.00 C ATOM 1031 OG1 THR A 67 3.056 -2.856 -13.050 1.00 0.00 O ATOM 1032 CG2 THR A 67 0.963 -2.055 -12.140 1.00 0.00 C ATOM 0 H THR A 67 3.376 -0.474 -12.700 1.00 0.00 H new ATOM 0 HA THR A 67 2.512 -1.290 -10.115 1.00 0.00 H new ATOM 0 HB THR A 67 2.249 -3.524 -11.267 1.00 0.00 H new ATOM 0 HG1 THR A 67 2.544 -3.491 -13.593 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.425 -2.774 -12.758 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.416 -1.894 -11.211 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.052 -1.111 -12.677 1.00 0.00 H new ATOM 1040 N LYS A 68 5.557 -1.880 -10.890 1.00 0.00 N ATOM 1041 CA LYS A 68 6.817 -2.447 -10.420 1.00 0.00 C ATOM 1042 C LYS A 68 6.976 -2.238 -8.914 1.00 0.00 C ATOM 1043 O LYS A 68 7.128 -3.202 -8.158 1.00 0.00 O ATOM 1044 CB LYS A 68 7.994 -1.816 -11.169 1.00 0.00 C ATOM 1045 CG LYS A 68 9.351 -2.345 -10.736 1.00 0.00 C ATOM 1046 CD LYS A 68 10.479 -1.670 -11.496 1.00 0.00 C ATOM 1047 CE LYS A 68 11.838 -2.166 -11.029 1.00 0.00 C ATOM 1048 NZ LYS A 68 12.949 -1.538 -11.790 1.00 0.00 N ATOM 0 H LYS A 68 5.658 -1.165 -11.610 1.00 0.00 H new ATOM 0 HA LYS A 68 6.806 -3.519 -10.619 1.00 0.00 H new ATOM 0 HB2 LYS A 68 7.870 -1.993 -12.237 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.971 -0.737 -11.020 1.00 0.00 H new ATOM 0 HG2 LYS A 68 9.482 -2.181 -9.666 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.393 -3.422 -10.901 1.00 0.00 H new ATOM 0 HD2 LYS A 68 10.367 -1.862 -12.563 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.417 -0.590 -11.359 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.958 -1.950 -9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.887 -3.249 -11.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.858 -1.903 -11.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.850 -1.765 -12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 12.918 -0.506 -11.662 1.00 0.00 H new ATOM 1062 N ILE A 69 6.907 -0.986 -8.477 1.00 0.00 N ATOM 1063 CA ILE A 69 7.001 -0.674 -7.057 1.00 0.00 C ATOM 1064 C ILE A 69 5.754 -1.168 -6.319 1.00 0.00 C ATOM 1065 O ILE A 69 5.802 -1.478 -5.130 1.00 0.00 O ATOM 1066 CB ILE A 69 7.215 0.843 -6.823 1.00 0.00 C ATOM 1067 CG1 ILE A 69 7.352 1.150 -5.328 1.00 0.00 C ATOM 1068 CG2 ILE A 69 6.082 1.653 -7.441 1.00 0.00 C ATOM 1069 CD1 ILE A 69 7.672 2.600 -5.030 1.00 0.00 C ATOM 0 H ILE A 69 6.787 -0.174 -9.083 1.00 0.00 H new ATOM 0 HA ILE A 69 7.871 -1.193 -6.656 1.00 0.00 H new ATOM 0 HB ILE A 69 8.144 1.132 -7.314 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.423 0.881 -4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 69 8.136 0.520 -4.907 1.00 0.00 H new ATOM 0 HG21 ILE A 69 6.255 2.714 -7.264 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.044 1.466 -8.514 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.135 1.359 -6.988 1.00 0.00 H new ATOM 0 HD11 ILE A 69 7.754 2.740 -3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 69 8.616 2.869 -5.504 1.00 0.00 H new ATOM 0 HD13 ILE A 69 6.877 3.236 -5.419 1.00 0.00 H new ATOM 1081 N LEU A 70 4.648 -1.275 -7.048 1.00 0.00 N ATOM 1082 CA LEU A 70 3.416 -1.835 -6.509 1.00 0.00 C ATOM 1083 C LEU A 70 3.633 -3.280 -6.053 1.00 0.00 C ATOM 1084 O LEU A 70 3.268 -3.652 -4.936 1.00 0.00 O ATOM 1085 CB LEU A 70 2.310 -1.760 -7.566 1.00 0.00 C ATOM 1086 CG LEU A 70 1.017 -2.513 -7.246 1.00 0.00 C ATOM 1087 CD1 LEU A 70 0.477 -2.109 -5.886 1.00 0.00 C ATOM 1088 CD2 LEU A 70 -0.019 -2.248 -8.325 1.00 0.00 C ATOM 0 H LEU A 70 4.581 -0.978 -8.022 1.00 0.00 H new ATOM 0 HA LEU A 70 3.113 -1.252 -5.639 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.064 -0.711 -7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.707 -2.145 -8.505 1.00 0.00 H new ATOM 0 HG LEU A 70 1.237 -3.580 -7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.442 -2.658 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.216 -2.340 -5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.269 -1.039 -5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.936 -2.788 -8.089 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.229 -1.180 -8.373 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.364 -2.586 -9.288 1.00 0.00 H new ATOM 1100 N SER A 71 4.244 -4.084 -6.913 1.00 0.00 N ATOM 1101 CA SER A 71 4.552 -5.465 -6.575 1.00 0.00 C ATOM 1102 C SER A 71 5.588 -5.523 -5.451 1.00 0.00 C ATOM 1103 O SER A 71 5.603 -6.462 -4.647 1.00 0.00 O ATOM 1104 CB SER A 71 5.055 -6.206 -7.810 1.00 0.00 C ATOM 1105 OG SER A 71 4.127 -6.097 -8.880 1.00 0.00 O ATOM 0 H SER A 71 4.536 -3.803 -7.849 1.00 0.00 H new ATOM 0 HA SER A 71 3.642 -5.952 -6.224 1.00 0.00 H new ATOM 0 HB2 SER A 71 6.018 -5.798 -8.116 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.216 -7.257 -7.568 1.00 0.00 H new ATOM 0 HG SER A 71 3.215 -6.183 -8.532 1.00 0.00 H new ATOM 1111 N GLU A 72 6.442 -4.507 -5.388 1.00 0.00 N ATOM 1112 CA GLU A 72 7.416 -4.397 -4.308 1.00 0.00 C ATOM 1113 C GLU A 72 6.721 -4.185 -2.965 1.00 0.00 C ATOM 1114 O GLU A 72 7.310 -4.418 -1.916 1.00 0.00 O ATOM 1115 CB GLU A 72 8.397 -3.251 -4.573 1.00 0.00 C ATOM 1116 CG GLU A 72 9.292 -3.481 -5.778 1.00 0.00 C ATOM 1117 CD GLU A 72 10.124 -4.738 -5.647 1.00 0.00 C ATOM 1118 OE1 GLU A 72 11.164 -4.701 -4.952 1.00 0.00 O ATOM 1119 OE2 GLU A 72 9.742 -5.774 -6.230 1.00 0.00 O ATOM 0 H GLU A 72 6.480 -3.750 -6.070 1.00 0.00 H new ATOM 0 HA GLU A 72 7.973 -5.333 -4.269 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.834 -2.329 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 72 9.020 -3.107 -3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.678 -3.547 -6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.952 -2.623 -5.906 1.00 0.00 H new ATOM 1126 N VAL A 73 5.483 -3.703 -3.004 1.00 0.00 N ATOM 1127 CA VAL A 73 4.676 -3.558 -1.795 1.00 0.00 C ATOM 1128 C VAL A 73 3.903 -4.845 -1.482 1.00 0.00 C ATOM 1129 O VAL A 73 3.876 -5.304 -0.335 1.00 0.00 O ATOM 1130 CB VAL A 73 3.684 -2.378 -1.909 1.00 0.00 C ATOM 1131 CG1 VAL A 73 2.885 -2.214 -0.624 1.00 0.00 C ATOM 1132 CG2 VAL A 73 4.420 -1.089 -2.246 1.00 0.00 C ATOM 0 H VAL A 73 5.015 -3.406 -3.860 1.00 0.00 H new ATOM 0 HA VAL A 73 5.370 -3.353 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 73 2.987 -2.600 -2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.194 -1.377 -0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.322 -3.126 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.565 -2.020 0.205 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.704 -0.270 -2.322 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.143 -0.867 -1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.940 -1.205 -3.197 1.00 0.00 H new ATOM 1142 N THR A 74 3.291 -5.432 -2.512 1.00 0.00 N ATOM 1143 CA THR A 74 2.432 -6.606 -2.343 1.00 0.00 C ATOM 1144 C THR A 74 3.164 -7.775 -1.688 1.00 0.00 C ATOM 1145 O THR A 74 2.604 -8.448 -0.821 1.00 0.00 O ATOM 1146 CB THR A 74 1.831 -7.062 -3.689 1.00 0.00 C ATOM 1147 OG1 THR A 74 2.854 -7.207 -4.682 1.00 0.00 O ATOM 1148 CG2 THR A 74 0.798 -6.067 -4.178 1.00 0.00 C ATOM 0 H THR A 74 3.375 -5.112 -3.477 1.00 0.00 H new ATOM 0 HA THR A 74 1.626 -6.297 -1.677 1.00 0.00 H new ATOM 0 HB THR A 74 1.352 -8.028 -3.526 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.723 -6.973 -4.293 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.386 -6.407 -5.128 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.004 -5.985 -3.444 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.267 -5.093 -4.314 1.00 0.00 H new ATOM 1156 N ARG A 75 4.412 -8.012 -2.089 1.00 0.00 N ATOM 1157 CA ARG A 75 5.190 -9.117 -1.523 1.00 0.00 C ATOM 1158 C ARG A 75 5.344 -8.979 0.001 1.00 0.00 C ATOM 1159 O ARG A 75 4.998 -9.904 0.731 1.00 0.00 O ATOM 1160 CB ARG A 75 6.559 -9.257 -2.211 1.00 0.00 C ATOM 1161 CG ARG A 75 6.532 -10.112 -3.470 1.00 0.00 C ATOM 1162 CD ARG A 75 5.642 -9.505 -4.543 1.00 0.00 C ATOM 1163 NE ARG A 75 5.566 -10.341 -5.736 1.00 0.00 N ATOM 1164 CZ ARG A 75 4.686 -10.158 -6.718 1.00 0.00 C ATOM 1165 NH1 ARG A 75 3.785 -9.189 -6.634 1.00 0.00 N ATOM 1166 NH2 ARG A 75 4.697 -10.959 -7.775 1.00 0.00 N ATOM 0 H ARG A 75 4.903 -7.463 -2.794 1.00 0.00 H new ATOM 0 HA ARG A 75 4.632 -10.033 -1.715 1.00 0.00 H new ATOM 0 HB2 ARG A 75 6.930 -8.264 -2.466 1.00 0.00 H new ATOM 0 HB3 ARG A 75 7.267 -9.690 -1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 75 7.545 -10.222 -3.857 1.00 0.00 H new ATOM 0 HG3 ARG A 75 6.175 -11.112 -3.223 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.640 -9.358 -4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 75 6.024 -8.521 -4.815 1.00 0.00 H new ATOM 0 HE ARG A 75 6.227 -11.113 -5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.765 -8.581 -5.815 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.112 -9.051 -7.388 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.379 -11.715 -7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.023 -10.819 -8.528 1.00 0.00 H new ATOM 1180 N PRO A 76 5.863 -7.840 0.517 1.00 0.00 N ATOM 1181 CA PRO A 76 5.942 -7.608 1.967 1.00 0.00 C ATOM 1182 C PRO A 76 4.591 -7.709 2.667 1.00 0.00 C ATOM 1183 O PRO A 76 4.485 -8.316 3.729 1.00 0.00 O ATOM 1184 CB PRO A 76 6.475 -6.181 2.079 1.00 0.00 C ATOM 1185 CG PRO A 76 7.206 -5.949 0.810 1.00 0.00 C ATOM 1186 CD PRO A 76 6.474 -6.732 -0.239 1.00 0.00 C ATOM 0 HA PRO A 76 6.568 -8.360 2.447 1.00 0.00 H new ATOM 0 HB2 PRO A 76 5.663 -5.464 2.205 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.134 -6.071 2.941 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.228 -4.888 0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.242 -6.279 0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.720 -6.124 -0.739 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.151 -7.099 -1.011 1.00 0.00 H new ATOM 1194 N MET A 77 3.563 -7.127 2.058 1.00 0.00 N ATOM 1195 CA MET A 77 2.221 -7.107 2.648 1.00 0.00 C ATOM 1196 C MET A 77 1.649 -8.512 2.807 1.00 0.00 C ATOM 1197 O MET A 77 0.653 -8.711 3.500 1.00 0.00 O ATOM 1198 CB MET A 77 1.276 -6.251 1.805 1.00 0.00 C ATOM 1199 CG MET A 77 1.485 -4.759 1.992 1.00 0.00 C ATOM 1200 SD MET A 77 1.197 -4.236 3.694 1.00 0.00 S ATOM 1201 CE MET A 77 1.499 -2.478 3.567 1.00 0.00 C ATOM 0 H MET A 77 3.630 -6.661 1.153 1.00 0.00 H new ATOM 0 HA MET A 77 2.312 -6.669 3.642 1.00 0.00 H new ATOM 0 HB2 MET A 77 1.413 -6.500 0.753 1.00 0.00 H new ATOM 0 HB3 MET A 77 0.246 -6.501 2.060 1.00 0.00 H new ATOM 0 HG2 MET A 77 2.502 -4.498 1.701 1.00 0.00 H new ATOM 0 HG3 MET A 77 0.814 -4.214 1.328 1.00 0.00 H new ATOM 0 HE1 MET A 77 2.045 -2.138 4.447 1.00 0.00 H new ATOM 0 HE2 MET A 77 2.089 -2.274 2.673 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.548 -1.949 3.503 1.00 0.00 H new ATOM 1211 N SER A 78 2.281 -9.476 2.158 1.00 0.00 N ATOM 1212 CA SER A 78 1.866 -10.866 2.238 1.00 0.00 C ATOM 1213 C SER A 78 2.141 -11.458 3.627 1.00 0.00 C ATOM 1214 O SER A 78 1.689 -12.564 3.937 1.00 0.00 O ATOM 1215 CB SER A 78 2.583 -11.676 1.162 1.00 0.00 C ATOM 1216 OG SER A 78 2.181 -13.034 1.186 1.00 0.00 O ATOM 0 H SER A 78 3.094 -9.317 1.563 1.00 0.00 H new ATOM 0 HA SER A 78 0.790 -10.912 2.071 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.372 -11.249 0.181 1.00 0.00 H new ATOM 0 HB3 SER A 78 3.661 -11.611 1.312 1.00 0.00 H new ATOM 0 HG SER A 78 1.889 -13.273 2.090 1.00 0.00 H new ATOM 1222 N VAL A 79 2.916 -10.747 4.439 1.00 0.00 N ATOM 1223 CA VAL A 79 3.216 -11.186 5.793 1.00 0.00 C ATOM 1224 C VAL A 79 3.532 -9.957 6.667 1.00 0.00 C ATOM 1225 O VAL A 79 3.248 -8.833 6.259 1.00 0.00 O ATOM 1226 CB VAL A 79 4.378 -12.219 5.787 1.00 0.00 C ATOM 1227 CG1 VAL A 79 5.720 -11.557 5.538 1.00 0.00 C ATOM 1228 CG2 VAL A 79 4.399 -13.047 7.065 1.00 0.00 C ATOM 0 H VAL A 79 3.349 -9.860 4.179 1.00 0.00 H new ATOM 0 HA VAL A 79 2.349 -11.691 6.220 1.00 0.00 H new ATOM 0 HB VAL A 79 4.193 -12.900 4.957 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.505 -12.313 5.542 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.704 -11.055 4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.916 -10.826 6.323 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.224 -13.758 7.024 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.529 -12.388 7.923 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.458 -13.589 7.163 1.00 0.00 H new ATOM 1238 N HIS A 80 4.090 -10.167 7.861 1.00 0.00 N ATOM 1239 CA HIS A 80 4.365 -9.074 8.801 1.00 0.00 C ATOM 1240 C HIS A 80 5.336 -8.054 8.187 1.00 0.00 C ATOM 1241 O HIS A 80 4.942 -6.937 7.861 1.00 0.00 O ATOM 1242 CB HIS A 80 4.935 -9.656 10.103 1.00 0.00 C ATOM 1243 CG HIS A 80 4.944 -8.710 11.264 1.00 0.00 C ATOM 1244 ND1 HIS A 80 3.966 -8.380 12.139 1.00 0.00 N flip ATOM 1245 CD2 HIS A 80 6.062 -8.009 11.662 1.00 0.00 C flip ATOM 1246 CE1 HIS A 80 4.504 -7.496 13.039 1.00 0.00 C flip ATOM 1247 NE2 HIS A 80 5.769 -7.290 12.730 1.00 0.00 N flip ATOM 0 H HIS A 80 4.362 -11.089 8.203 1.00 0.00 H new ATOM 0 HA HIS A 80 3.435 -8.550 9.020 1.00 0.00 H new ATOM 0 HB2 HIS A 80 4.354 -10.537 10.375 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.955 -9.992 9.918 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.026 -8.043 11.177 1.00 0.00 H new ATOM 0 HE1 HIS A 80 3.977 -7.043 13.866 1.00 0.00 H new ATOM 0 HE2 HIS A 80 6.413 -6.678 13.232 1.00 0.00 H new ATOM 1256 N MET A 81 6.600 -8.446 8.059 1.00 0.00 N ATOM 1257 CA MET A 81 7.609 -7.679 7.314 1.00 0.00 C ATOM 1258 C MET A 81 7.951 -6.290 7.889 1.00 0.00 C ATOM 1259 O MET A 81 7.209 -5.682 8.661 1.00 0.00 O ATOM 1260 CB MET A 81 7.196 -7.537 5.841 1.00 0.00 C ATOM 1261 CG MET A 81 7.572 -8.742 4.993 1.00 0.00 C ATOM 1262 SD MET A 81 9.312 -8.813 4.536 1.00 0.00 S ATOM 1263 CE MET A 81 9.410 -7.419 3.431 1.00 0.00 C ATOM 0 H MET A 81 6.961 -9.308 8.469 1.00 0.00 H new ATOM 0 HA MET A 81 8.522 -8.266 7.412 1.00 0.00 H new ATOM 0 HB2 MET A 81 6.118 -7.385 5.786 1.00 0.00 H new ATOM 0 HB3 MET A 81 7.666 -6.646 5.423 1.00 0.00 H new ATOM 0 HG2 MET A 81 7.314 -9.650 5.538 1.00 0.00 H new ATOM 0 HG3 MET A 81 6.970 -8.734 4.084 1.00 0.00 H new ATOM 0 HE1 MET A 81 10.440 -7.290 3.098 1.00 0.00 H new ATOM 0 HE2 MET A 81 8.769 -7.594 2.567 1.00 0.00 H new ATOM 0 HE3 MET A 81 9.081 -6.519 3.951 1.00 0.00 H new ATOM 1273 N PRO A 82 9.154 -5.840 7.492 1.00 0.00 N ATOM 1274 CA PRO A 82 9.753 -4.500 7.706 1.00 0.00 C ATOM 1275 C PRO A 82 8.861 -3.249 7.547 1.00 0.00 C ATOM 1276 O PRO A 82 9.388 -2.147 7.642 1.00 0.00 O ATOM 1277 CB PRO A 82 10.850 -4.454 6.650 1.00 0.00 C ATOM 1278 CG PRO A 82 11.324 -5.854 6.543 1.00 0.00 C ATOM 1279 CD PRO A 82 10.128 -6.726 6.816 1.00 0.00 C ATOM 0 HA PRO A 82 10.044 -4.429 8.754 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.467 -4.091 5.696 1.00 0.00 H new ATOM 0 HB3 PRO A 82 11.657 -3.784 6.946 1.00 0.00 H new ATOM 0 HG2 PRO A 82 11.732 -6.052 5.552 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.121 -6.051 7.260 1.00 0.00 H new ATOM 0 HD2 PRO A 82 9.717 -7.132 5.892 1.00 0.00 H new ATOM 0 HD3 PRO A 82 10.394 -7.574 7.447 1.00 0.00 H new ATOM 1287 N ALA A 83 7.561 -3.419 7.239 1.00 0.00 N ATOM 1288 CA ALA A 83 6.666 -2.352 6.703 1.00 0.00 C ATOM 1289 C ALA A 83 6.861 -0.945 7.289 1.00 0.00 C ATOM 1290 O ALA A 83 6.526 0.029 6.620 1.00 0.00 O ATOM 1291 CB ALA A 83 5.207 -2.761 6.887 1.00 0.00 C ATOM 0 H ALA A 83 7.086 -4.314 7.354 1.00 0.00 H new ATOM 0 HA ALA A 83 6.946 -2.270 5.653 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.558 -1.979 6.494 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.020 -3.691 6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.001 -2.905 7.947 1.00 0.00 H new ATOM 1297 N MET A 84 7.387 -0.810 8.498 1.00 0.00 N ATOM 1298 CA MET A 84 7.718 0.519 9.015 1.00 0.00 C ATOM 1299 C MET A 84 8.881 1.113 8.221 1.00 0.00 C ATOM 1300 O MET A 84 8.747 2.139 7.552 1.00 0.00 O ATOM 1301 CB MET A 84 8.117 0.446 10.489 1.00 0.00 C ATOM 1302 CG MET A 84 7.187 -0.398 11.335 1.00 0.00 C ATOM 1303 SD MET A 84 8.090 -1.614 12.310 1.00 0.00 S ATOM 1304 CE MET A 84 9.054 -2.412 11.024 1.00 0.00 C ATOM 0 H MET A 84 7.592 -1.583 9.131 1.00 0.00 H new ATOM 0 HA MET A 84 6.834 1.149 8.913 1.00 0.00 H new ATOM 0 HB2 MET A 84 9.127 0.042 10.562 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.148 1.456 10.897 1.00 0.00 H new ATOM 0 HG2 MET A 84 6.614 0.248 12.000 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.471 -0.908 10.690 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.533 -3.303 11.429 1.00 0.00 H new ATOM 0 HE2 MET A 84 8.398 -2.695 10.200 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.817 -1.723 10.661 1.00 0.00 H new ATOM 1314 N LYS A 85 10.007 0.416 8.223 1.00 0.00 N ATOM 1315 CA LYS A 85 11.198 0.915 7.562 1.00 0.00 C ATOM 1316 C LYS A 85 11.092 0.744 6.056 1.00 0.00 C ATOM 1317 O LYS A 85 11.897 1.290 5.308 1.00 0.00 O ATOM 1318 CB LYS A 85 12.471 0.258 8.104 1.00 0.00 C ATOM 1319 CG LYS A 85 12.561 -1.243 7.898 1.00 0.00 C ATOM 1320 CD LYS A 85 13.857 -1.778 8.479 1.00 0.00 C ATOM 1321 CE LYS A 85 13.982 -3.282 8.320 1.00 0.00 C ATOM 1322 NZ LYS A 85 15.211 -3.798 8.973 1.00 0.00 N ATOM 0 H LYS A 85 10.119 -0.492 8.673 1.00 0.00 H new ATOM 0 HA LYS A 85 11.270 1.980 7.781 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.333 0.726 7.629 1.00 0.00 H new ATOM 0 HB3 LYS A 85 12.543 0.467 9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 85 11.712 -1.734 8.373 1.00 0.00 H new ATOM 0 HG3 LYS A 85 12.509 -1.475 6.834 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.700 -1.292 7.989 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.912 -1.521 9.537 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.108 -3.768 8.752 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.997 -3.537 7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.265 -4.829 8.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.046 -3.351 8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.184 -3.576 9.989 1.00 0.00 H new ATOM 1336 N ILE A 86 10.102 -0.028 5.609 1.00 0.00 N ATOM 1337 CA ILE A 86 9.822 -0.143 4.183 1.00 0.00 C ATOM 1338 C ILE A 86 9.610 1.241 3.575 1.00 0.00 C ATOM 1339 O ILE A 86 10.031 1.498 2.451 1.00 0.00 O ATOM 1340 CB ILE A 86 8.592 -1.038 3.889 1.00 0.00 C ATOM 1341 CG1 ILE A 86 8.926 -2.501 4.186 1.00 0.00 C ATOM 1342 CG2 ILE A 86 8.127 -0.878 2.445 1.00 0.00 C ATOM 1343 CD1 ILE A 86 7.850 -3.478 3.759 1.00 0.00 C ATOM 0 H ILE A 86 9.487 -0.577 6.209 1.00 0.00 H new ATOM 0 HA ILE A 86 10.689 -0.620 3.726 1.00 0.00 H new ATOM 0 HB ILE A 86 7.776 -0.722 4.538 1.00 0.00 H new ATOM 0 HG12 ILE A 86 9.858 -2.760 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 86 9.100 -2.613 5.256 1.00 0.00 H new ATOM 0 HG21 ILE A 86 7.263 -1.518 2.268 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.852 0.161 2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 86 8.934 -1.163 1.769 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.162 -4.493 4.004 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.922 -3.248 4.282 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.691 -3.397 2.684 1.00 0.00 H new ATOM 1355 N CYS A 87 9.006 2.147 4.338 1.00 0.00 N ATOM 1356 CA CYS A 87 8.762 3.494 3.842 1.00 0.00 C ATOM 1357 C CYS A 87 10.070 4.267 3.746 1.00 0.00 C ATOM 1358 O CYS A 87 10.235 5.132 2.892 1.00 0.00 O ATOM 1359 CB CYS A 87 7.755 4.226 4.727 1.00 0.00 C ATOM 1360 SG CYS A 87 7.257 5.860 4.098 1.00 0.00 S ATOM 0 H CYS A 87 8.681 1.975 5.289 1.00 0.00 H new ATOM 0 HA CYS A 87 8.333 3.422 2.842 1.00 0.00 H new ATOM 0 HB2 CYS A 87 6.866 3.605 4.837 1.00 0.00 H new ATOM 0 HB3 CYS A 87 8.184 4.347 5.722 1.00 0.00 H new ATOM 1365 N GLU A 88 11.011 3.918 4.605 1.00 0.00 N ATOM 1366 CA GLU A 88 12.348 4.482 4.553 1.00 0.00 C ATOM 1367 C GLU A 88 13.075 3.936 3.324 1.00 0.00 C ATOM 1368 O GLU A 88 13.800 4.653 2.632 1.00 0.00 O ATOM 1369 CB GLU A 88 13.089 4.103 5.831 1.00 0.00 C ATOM 1370 CG GLU A 88 14.534 4.578 5.898 1.00 0.00 C ATOM 1371 CD GLU A 88 14.658 6.077 6.094 1.00 0.00 C ATOM 1372 OE1 GLU A 88 14.506 6.546 7.243 1.00 0.00 O ATOM 1373 OE2 GLU A 88 14.921 6.795 5.111 1.00 0.00 O ATOM 0 H GLU A 88 10.871 3.240 5.354 1.00 0.00 H new ATOM 0 HA GLU A 88 12.304 5.568 4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.547 4.513 6.683 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.073 3.018 5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 88 15.041 4.067 6.717 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.047 4.294 4.979 1.00 0.00 H new ATOM 1380 N LYS A 89 12.845 2.659 3.043 1.00 0.00 N ATOM 1381 CA LYS A 89 13.414 2.016 1.866 1.00 0.00 C ATOM 1382 C LYS A 89 12.769 2.575 0.598 1.00 0.00 C ATOM 1383 O LYS A 89 13.329 2.478 -0.492 1.00 0.00 O ATOM 1384 CB LYS A 89 13.234 0.495 1.942 1.00 0.00 C ATOM 1385 CG LYS A 89 13.802 -0.114 3.216 1.00 0.00 C ATOM 1386 CD LYS A 89 13.853 -1.641 3.182 1.00 0.00 C ATOM 1387 CE LYS A 89 12.471 -2.289 3.166 1.00 0.00 C ATOM 1388 NZ LYS A 89 11.845 -2.257 1.816 1.00 0.00 N ATOM 0 H LYS A 89 12.266 2.047 3.617 1.00 0.00 H new ATOM 0 HA LYS A 89 14.483 2.228 1.834 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.172 0.258 1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.718 0.035 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.808 0.273 3.379 1.00 0.00 H new ATOM 0 HG3 LYS A 89 13.196 0.204 4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.407 -1.960 2.299 1.00 0.00 H new ATOM 0 HD3 LYS A 89 14.405 -1.999 4.051 1.00 0.00 H new ATOM 0 HE2 LYS A 89 12.554 -3.323 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.823 -1.775 3.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.056 -1.580 1.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 12.553 -1.965 1.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 11.489 -3.204 1.576 1.00 0.00 H new ATOM 1402 N LEU A 90 11.587 3.159 0.756 1.00 0.00 N ATOM 1403 CA LEU A 90 10.926 3.865 -0.333 1.00 0.00 C ATOM 1404 C LEU A 90 11.540 5.245 -0.505 1.00 0.00 C ATOM 1405 O LEU A 90 11.648 5.754 -1.621 1.00 0.00 O ATOM 1406 CB LEU A 90 9.425 3.986 -0.069 1.00 0.00 C ATOM 1407 CG LEU A 90 8.652 2.670 -0.116 1.00 0.00 C ATOM 1408 CD1 LEU A 90 7.180 2.903 0.184 1.00 0.00 C ATOM 1409 CD2 LEU A 90 8.826 2.011 -1.474 1.00 0.00 C ATOM 0 H LEU A 90 11.065 3.157 1.632 1.00 0.00 H new ATOM 0 HA LEU A 90 11.067 3.294 -1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.279 4.440 0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.996 4.668 -0.803 1.00 0.00 H new ATOM 0 HG LEU A 90 9.051 2.003 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.646 1.953 0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.076 3.338 1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.761 3.585 -0.556 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.271 1.073 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.449 2.675 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 90 9.883 1.811 -1.649 1.00 0.00 H new ATOM 1421 N LYS A 91 11.951 5.839 0.613 1.00 0.00 N ATOM 1422 CA LYS A 91 12.633 7.131 0.603 1.00 0.00 C ATOM 1423 C LYS A 91 13.954 7.029 -0.145 1.00 0.00 C ATOM 1424 O LYS A 91 14.460 8.017 -0.684 1.00 0.00 O ATOM 1425 CB LYS A 91 12.904 7.612 2.027 1.00 0.00 C ATOM 1426 CG LYS A 91 11.656 7.903 2.838 1.00 0.00 C ATOM 1427 CD LYS A 91 11.999 8.125 4.301 1.00 0.00 C ATOM 1428 CE LYS A 91 12.984 9.268 4.478 1.00 0.00 C ATOM 1429 NZ LYS A 91 13.533 9.313 5.856 1.00 0.00 N ATOM 0 H LYS A 91 11.822 5.443 1.544 1.00 0.00 H new ATOM 0 HA LYS A 91 11.982 7.846 0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 91 13.492 6.856 2.547 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.513 8.515 1.983 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.156 8.786 2.440 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.956 7.072 2.747 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.088 8.339 4.860 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.422 7.211 4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 91 13.801 9.158 3.765 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.489 10.213 4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.902 10.265 6.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.780 9.087 6.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.302 8.618 5.946 1.00 0.00 H new ATOM 1443 N LYS A 92 14.515 5.825 -0.141 1.00 0.00 N ATOM 1444 CA LYS A 92 15.735 5.530 -0.880 1.00 0.00 C ATOM 1445 C LYS A 92 15.532 5.779 -2.379 1.00 0.00 C ATOM 1446 O LYS A 92 16.473 6.121 -3.097 1.00 0.00 O ATOM 1447 CB LYS A 92 16.145 4.075 -0.626 1.00 0.00 C ATOM 1448 CG LYS A 92 17.487 3.690 -1.224 1.00 0.00 C ATOM 1449 CD LYS A 92 18.624 4.501 -0.623 1.00 0.00 C ATOM 1450 CE LYS A 92 19.969 4.069 -1.183 1.00 0.00 C ATOM 1451 NZ LYS A 92 20.030 4.213 -2.661 1.00 0.00 N ATOM 0 H LYS A 92 14.138 5.029 0.373 1.00 0.00 H new ATOM 0 HA LYS A 92 16.530 6.191 -0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 92 16.177 3.901 0.450 1.00 0.00 H new ATOM 0 HB3 LYS A 92 15.377 3.417 -1.033 1.00 0.00 H new ATOM 0 HG2 LYS A 92 17.669 2.628 -1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 92 17.462 3.843 -2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 92 18.466 5.560 -0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 92 18.624 4.383 0.461 1.00 0.00 H new ATOM 0 HE2 LYS A 92 20.760 4.666 -0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 92 20.158 3.030 -0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 21.014 4.105 -2.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 19.440 3.481 -3.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 19.679 5.153 -2.933 1.00 0.00 H new ATOM 1465 N LEU A 93 14.298 5.612 -2.839 1.00 0.00 N ATOM 1466 CA LEU A 93 13.955 5.867 -4.235 1.00 0.00 C ATOM 1467 C LEU A 93 13.377 7.270 -4.389 1.00 0.00 C ATOM 1468 O LEU A 93 13.820 8.051 -5.231 1.00 0.00 O ATOM 1469 CB LEU A 93 12.953 4.830 -4.756 1.00 0.00 C ATOM 1470 CG LEU A 93 13.519 3.428 -5.007 1.00 0.00 C ATOM 1471 CD1 LEU A 93 13.763 2.687 -3.701 1.00 0.00 C ATOM 1472 CD2 LEU A 93 12.585 2.637 -5.903 1.00 0.00 C ATOM 0 H LEU A 93 13.515 5.300 -2.264 1.00 0.00 H new ATOM 0 HA LEU A 93 14.868 5.788 -4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.136 4.749 -4.039 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.525 5.201 -5.687 1.00 0.00 H new ATOM 0 HG LEU A 93 14.480 3.537 -5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.164 1.696 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 93 14.476 3.245 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.823 2.589 -3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.999 1.643 -6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.610 2.547 -5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.473 3.152 -6.857 1.00 0.00 H new ATOM 1484 N ASP A 94 12.391 7.584 -3.561 1.00 0.00 N ATOM 1485 CA ASP A 94 11.765 8.900 -3.564 1.00 0.00 C ATOM 1486 C ASP A 94 11.617 9.392 -2.132 1.00 0.00 C ATOM 1487 O ASP A 94 11.021 8.716 -1.301 1.00 0.00 O ATOM 1488 CB ASP A 94 10.394 8.847 -4.243 1.00 0.00 C ATOM 1489 CG ASP A 94 9.758 10.217 -4.369 1.00 0.00 C ATOM 1490 OD1 ASP A 94 9.215 10.718 -3.365 1.00 0.00 O ATOM 1491 OD2 ASP A 94 9.790 10.796 -5.478 1.00 0.00 O ATOM 0 H ASP A 94 12.004 6.939 -2.872 1.00 0.00 H new ATOM 0 HA ASP A 94 12.397 9.589 -4.125 1.00 0.00 H new ATOM 0 HB2 ASP A 94 10.499 8.406 -5.234 1.00 0.00 H new ATOM 0 HB3 ASP A 94 9.734 8.194 -3.672 1.00 0.00 H new ATOM 1496 N SER A 95 12.169 10.553 -1.837 1.00 0.00 N ATOM 1497 CA SER A 95 12.182 11.059 -0.473 1.00 0.00 C ATOM 1498 C SER A 95 10.904 11.828 -0.134 1.00 0.00 C ATOM 1499 O SER A 95 10.608 12.071 1.038 1.00 0.00 O ATOM 1500 CB SER A 95 13.411 11.941 -0.274 1.00 0.00 C ATOM 1501 OG SER A 95 14.588 11.233 -0.628 1.00 0.00 O ATOM 0 H SER A 95 12.615 11.165 -2.521 1.00 0.00 H new ATOM 0 HA SER A 95 12.227 10.208 0.207 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.323 12.841 -0.882 1.00 0.00 H new ATOM 0 HB3 SER A 95 13.471 12.263 0.766 1.00 0.00 H new ATOM 0 HG SER A 95 14.410 10.270 -0.604 1.00 0.00 H new ATOM 1507 N GLN A 96 10.141 12.196 -1.155 1.00 0.00 N ATOM 1508 CA GLN A 96 8.946 13.007 -0.958 1.00 0.00 C ATOM 1509 C GLN A 96 7.735 12.135 -0.633 1.00 0.00 C ATOM 1510 O GLN A 96 6.791 12.592 0.008 1.00 0.00 O ATOM 1511 CB GLN A 96 8.677 13.862 -2.198 1.00 0.00 C ATOM 1512 CG GLN A 96 7.469 14.774 -2.067 1.00 0.00 C ATOM 1513 CD GLN A 96 7.298 15.682 -3.265 1.00 0.00 C ATOM 1514 OE1 GLN A 96 8.275 16.072 -3.906 1.00 0.00 O ATOM 1515 NE2 GLN A 96 6.060 16.031 -3.574 1.00 0.00 N ATOM 0 H GLN A 96 10.328 11.947 -2.126 1.00 0.00 H new ATOM 0 HA GLN A 96 9.119 13.667 -0.108 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.558 14.470 -2.406 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.533 13.205 -3.056 1.00 0.00 H new ATOM 0 HG2 GLN A 96 6.572 14.168 -1.943 1.00 0.00 H new ATOM 0 HG3 GLN A 96 7.571 15.380 -1.167 1.00 0.00 H new ATOM 0 HE21 GLN A 96 5.279 15.686 -3.017 1.00 0.00 H new ATOM 0 HE22 GLN A 96 5.887 16.646 -4.369 1.00 0.00 H new ATOM 1524 N ILE A 97 7.771 10.881 -1.077 1.00 0.00 N ATOM 1525 CA ILE A 97 6.689 9.929 -0.814 1.00 0.00 C ATOM 1526 C ILE A 97 6.420 9.809 0.691 1.00 0.00 C ATOM 1527 O ILE A 97 5.287 9.593 1.121 1.00 0.00 O ATOM 1528 CB ILE A 97 7.013 8.532 -1.408 1.00 0.00 C ATOM 1529 CG1 ILE A 97 5.803 7.603 -1.306 1.00 0.00 C ATOM 1530 CG2 ILE A 97 8.214 7.906 -0.710 1.00 0.00 C ATOM 1531 CD1 ILE A 97 6.034 6.243 -1.929 1.00 0.00 C ATOM 0 H ILE A 97 8.541 10.497 -1.624 1.00 0.00 H new ATOM 0 HA ILE A 97 5.792 10.311 -1.301 1.00 0.00 H new ATOM 0 HB ILE A 97 7.259 8.669 -2.461 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.541 7.473 -0.256 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.949 8.076 -1.791 1.00 0.00 H new ATOM 0 HG21 ILE A 97 8.419 6.928 -1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.085 8.549 -0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 97 7.999 7.792 0.352 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.135 5.636 -1.821 1.00 0.00 H new ATOM 0 HD12 ILE A 97 6.266 6.362 -2.987 1.00 0.00 H new ATOM 0 HD13 ILE A 97 6.867 5.750 -1.428 1.00 0.00 H new ATOM 1543 N CYS A 98 7.466 9.977 1.482 1.00 0.00 N ATOM 1544 CA CYS A 98 7.350 9.923 2.926 1.00 0.00 C ATOM 1545 C CYS A 98 6.715 11.217 3.436 1.00 0.00 C ATOM 1546 O CYS A 98 5.666 11.205 4.086 1.00 0.00 O ATOM 1547 CB CYS A 98 8.742 9.722 3.537 1.00 0.00 C ATOM 1548 SG CYS A 98 8.769 9.075 5.246 1.00 0.00 S ATOM 0 H CYS A 98 8.412 10.153 1.143 1.00 0.00 H new ATOM 0 HA CYS A 98 6.714 9.087 3.219 1.00 0.00 H new ATOM 0 HB2 CYS A 98 9.303 9.038 2.900 1.00 0.00 H new ATOM 0 HB3 CYS A 98 9.267 10.677 3.521 1.00 0.00 H new ATOM 1553 N GLU A 99 7.327 12.339 3.086 1.00 0.00 N ATOM 1554 CA GLU A 99 6.874 13.640 3.559 1.00 0.00 C ATOM 1555 C GLU A 99 5.868 14.258 2.595 1.00 0.00 C ATOM 1556 O GLU A 99 5.999 15.416 2.196 1.00 0.00 O ATOM 1557 CB GLU A 99 8.069 14.569 3.746 1.00 0.00 C ATOM 1558 CG GLU A 99 9.044 14.084 4.800 1.00 0.00 C ATOM 1559 CD GLU A 99 10.237 14.997 4.950 1.00 0.00 C ATOM 1560 OE1 GLU A 99 10.079 16.098 5.520 1.00 0.00 O ATOM 1561 OE2 GLU A 99 11.338 14.617 4.508 1.00 0.00 O ATOM 0 H GLU A 99 8.142 12.375 2.474 1.00 0.00 H new ATOM 0 HA GLU A 99 6.375 13.501 4.518 1.00 0.00 H new ATOM 0 HB2 GLU A 99 8.593 14.672 2.796 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.710 15.561 4.021 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.529 14.005 5.757 1.00 0.00 H new ATOM 0 HG3 GLU A 99 9.388 13.083 4.539 1.00 0.00 H new ATOM 1568 N LEU A 100 4.868 13.475 2.218 1.00 0.00 N ATOM 1569 CA LEU A 100 3.801 13.962 1.355 1.00 0.00 C ATOM 1570 C LEU A 100 2.852 14.831 2.177 1.00 0.00 C ATOM 1571 O LEU A 100 2.523 15.949 1.776 1.00 0.00 O ATOM 1572 CB LEU A 100 3.056 12.771 0.731 1.00 0.00 C ATOM 1573 CG LEU A 100 2.445 13.006 -0.658 1.00 0.00 C ATOM 1574 CD1 LEU A 100 1.227 13.913 -0.584 1.00 0.00 C ATOM 1575 CD2 LEU A 100 3.486 13.588 -1.607 1.00 0.00 C ATOM 0 H LEU A 100 4.773 12.498 2.496 1.00 0.00 H new ATOM 0 HA LEU A 100 4.217 14.564 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 100 3.748 11.931 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.258 12.472 1.410 1.00 0.00 H new ATOM 0 HG LEU A 100 2.118 12.041 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 100 0.820 14.058 -1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 100 0.470 13.455 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 100 1.516 14.878 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 100 3.036 13.748 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 100 3.846 14.538 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.321 12.894 -1.701 1.00 0.00 H new ATOM 1587 N LYS A 101 2.456 14.311 3.346 1.00 0.00 N ATOM 1588 CA LYS A 101 1.558 15.004 4.280 1.00 0.00 C ATOM 1589 C LYS A 101 0.157 15.174 3.695 1.00 0.00 C ATOM 1590 O LYS A 101 -0.010 15.415 2.503 1.00 0.00 O ATOM 1591 CB LYS A 101 2.115 16.379 4.669 1.00 0.00 C ATOM 1592 CG LYS A 101 3.495 16.340 5.309 1.00 0.00 C ATOM 1593 CD LYS A 101 3.442 15.840 6.743 1.00 0.00 C ATOM 1594 CE LYS A 101 4.804 15.957 7.412 1.00 0.00 C ATOM 1595 NZ LYS A 101 4.741 15.680 8.872 1.00 0.00 N ATOM 0 H LYS A 101 2.752 13.391 3.673 1.00 0.00 H new ATOM 0 HA LYS A 101 1.491 14.380 5.171 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.159 17.005 3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.421 16.856 5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.148 15.693 4.723 1.00 0.00 H new ATOM 0 HG3 LYS A 101 3.933 17.338 5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.706 16.415 7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.114 14.801 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.498 15.261 6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 101 5.200 16.960 7.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 5.691 15.772 9.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.099 16.360 9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.388 14.714 9.027 1.00 0.00 H new ATOM 1609 N TYR A 102 -0.856 15.063 4.545 1.00 0.00 N ATOM 1610 CA TYR A 102 -2.238 15.275 4.121 1.00 0.00 C ATOM 1611 C TYR A 102 -2.548 16.765 4.030 1.00 0.00 C ATOM 1612 O TYR A 102 -3.630 17.190 4.435 1.00 0.00 O ATOM 1613 CB TYR A 102 -3.214 14.627 5.110 1.00 0.00 C ATOM 1614 CG TYR A 102 -3.079 13.130 5.239 1.00 0.00 C ATOM 1615 CD1 TYR A 102 -3.763 12.275 4.386 1.00 0.00 C ATOM 1616 CD2 TYR A 102 -2.277 12.570 6.224 1.00 0.00 C ATOM 1617 CE1 TYR A 102 -3.649 10.905 4.509 1.00 0.00 C ATOM 1618 CE2 TYR A 102 -2.159 11.202 6.354 1.00 0.00 C ATOM 1619 CZ TYR A 102 -2.846 10.374 5.495 1.00 0.00 C ATOM 1620 OH TYR A 102 -2.732 9.012 5.624 1.00 0.00 O ATOM 0 H TYR A 102 -0.749 14.828 5.532 1.00 0.00 H new ATOM 0 HA TYR A 102 -2.357 14.816 3.140 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -3.068 15.077 6.092 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -4.233 14.861 4.801 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -4.395 12.688 3.614 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.736 13.216 6.900 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.186 10.253 3.836 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.531 10.782 7.126 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.988 8.692 5.072 1.00 0.00 H new