USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 557 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 62 SER OG : rot 180:sc= -0.0428 USER MOD Set 1.2: A 63 THR OG1 : rot 145:sc= 1.29 USER MOD Single : A 10 MET CE :methyl 170:sc= -2.63 (180deg=-3.16) USER MOD Single : A 11 SER OG : rot -84:sc= 1.07 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 172:sc= 1.3 (180deg=1.14) USER MOD Single : A 17 GLN : amide:sc= -1.02 K(o=-1,f=-5.5!) USER MOD Single : A 19 SER OG : rot -53:sc= 1.3 USER MOD Single : A 23 ASN : amide:sc= -0.0142 X(o=-0.014,f=-0.014) USER MOD Single : A 24 LYS NZ :NH3+ -161:sc= 1.2 (180deg=1.07) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0524) USER MOD Single : A 35 HIS : no HD1:sc=-0.00109 X(o=-0.0011,f=0) USER MOD Single : A 38 GLN : amide:sc= -4.4! C(o=-4.4!,f=-9.2!) USER MOD Single : A 39 SER OG : rot -86:sc= 1.23 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -141:sc= -0.12 (180deg=-1.54!) USER MOD Single : A 46 ASN : amide:sc= -0.0265 X(o=-0.027,f=-0.49) USER MOD Single : A 47 SER OG : rot -170:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 58 THR OG1 : rot -68:sc= -0.477 USER MOD Single : A 60 LYS NZ :NH3+ 178:sc= -1.37 (180deg=-1.46) USER MOD Single : A 70 TYR OH : rot 180:sc= 1.19 USER MOD Single : A 72 THR OG1 : rot -11:sc= 0.92 USER MOD Single : A 73 SER OG : rot -43:sc= 1.27 USER MOD Single : A 74 CYS SG : rot -18:sc= 0.246 USER MOD ----------------------------------------------------------------- ATOM 126 N PRO A 9 -13.182 6.550 -2.122 1.00 0.00 N ATOM 127 CA PRO A 9 -12.835 5.787 -3.319 1.00 0.00 C ATOM 128 C PRO A 9 -11.553 6.305 -3.965 1.00 0.00 C ATOM 129 O PRO A 9 -11.389 7.509 -4.154 1.00 0.00 O ATOM 130 CB PRO A 9 -14.036 5.997 -4.245 1.00 0.00 C ATOM 131 CG PRO A 9 -14.674 7.260 -3.779 1.00 0.00 C ATOM 132 CD PRO A 9 -14.400 7.353 -2.300 1.00 0.00 C ATOM 0 HA PRO A 9 -12.644 4.737 -3.099 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.722 6.076 -5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -14.731 5.159 -4.184 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.262 8.121 -4.305 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -15.746 7.249 -3.976 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -14.249 8.385 -1.985 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.229 6.958 -1.713 1.00 0.00 H new ATOM 140 N MET A 10 -10.640 5.398 -4.279 1.00 0.00 N ATOM 141 CA MET A 10 -9.352 5.777 -4.841 1.00 0.00 C ATOM 142 C MET A 10 -9.356 5.591 -6.360 1.00 0.00 C ATOM 143 O MET A 10 -9.586 4.484 -6.850 1.00 0.00 O ATOM 144 CB MET A 10 -8.235 4.938 -4.218 1.00 0.00 C ATOM 145 CG MET A 10 -6.843 5.411 -4.591 1.00 0.00 C ATOM 146 SD MET A 10 -6.213 6.687 -3.491 1.00 0.00 S ATOM 147 CE MET A 10 -6.117 5.774 -1.962 1.00 0.00 C ATOM 0 H MET A 10 -10.767 4.394 -4.154 1.00 0.00 H new ATOM 0 HA MET A 10 -9.174 6.829 -4.616 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.338 4.958 -3.133 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.353 3.900 -4.530 1.00 0.00 H new ATOM 0 HG2 MET A 10 -6.161 4.560 -4.579 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.857 5.794 -5.611 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.580 6.364 -1.219 1.00 0.00 H new ATOM 0 HE2 MET A 10 -7.123 5.564 -1.600 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.589 4.836 -2.131 1.00 0.00 H new ATOM 157 N SER A 11 -9.103 6.666 -7.101 1.00 0.00 N ATOM 158 CA SER A 11 -9.100 6.604 -8.563 1.00 0.00 C ATOM 159 C SER A 11 -7.816 5.954 -9.094 1.00 0.00 C ATOM 160 O SER A 11 -6.911 5.638 -8.315 1.00 0.00 O ATOM 161 CB SER A 11 -9.282 8.003 -9.160 1.00 0.00 C ATOM 162 OG SER A 11 -8.284 8.897 -8.697 1.00 0.00 O ATOM 0 H SER A 11 -8.898 7.588 -6.717 1.00 0.00 H new ATOM 0 HA SER A 11 -9.939 5.981 -8.871 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.243 7.944 -10.248 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.267 8.387 -8.897 1.00 0.00 H new ATOM 0 HG SER A 11 -8.554 9.270 -7.832 1.00 0.00 H new ATOM 168 N TYR A 12 -7.723 5.764 -10.411 1.00 0.00 N ATOM 169 CA TYR A 12 -6.624 4.998 -10.991 1.00 0.00 C ATOM 170 C TYR A 12 -5.268 5.704 -10.794 1.00 0.00 C ATOM 171 O TYR A 12 -4.313 5.091 -10.312 1.00 0.00 O ATOM 172 CB TYR A 12 -6.922 4.665 -12.462 1.00 0.00 C ATOM 173 CG TYR A 12 -6.283 5.556 -13.497 1.00 0.00 C ATOM 174 CD1 TYR A 12 -4.969 5.347 -13.872 1.00 0.00 C ATOM 175 CD2 TYR A 12 -6.998 6.567 -14.122 1.00 0.00 C ATOM 176 CE1 TYR A 12 -4.373 6.123 -14.846 1.00 0.00 C ATOM 177 CE2 TYR A 12 -6.410 7.355 -15.092 1.00 0.00 C ATOM 178 CZ TYR A 12 -5.100 7.127 -15.452 1.00 0.00 C ATOM 179 OH TYR A 12 -4.515 7.900 -16.427 1.00 0.00 O ATOM 0 H TYR A 12 -8.391 6.128 -11.090 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.541 4.051 -10.457 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -6.603 3.640 -12.651 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -8.002 4.695 -12.606 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.399 4.563 -13.395 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.028 6.740 -13.847 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -3.347 5.946 -15.131 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.974 8.145 -15.565 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.162 8.561 -16.753 1.00 0.00 H new ATOM 189 N GLU A 13 -5.193 6.989 -11.153 1.00 0.00 N ATOM 190 CA GLU A 13 -3.995 7.811 -10.917 1.00 0.00 C ATOM 191 C GLU A 13 -3.586 7.800 -9.449 1.00 0.00 C ATOM 192 O GLU A 13 -2.401 7.859 -9.126 1.00 0.00 O ATOM 193 CB GLU A 13 -4.264 9.271 -11.365 1.00 0.00 C ATOM 194 CG GLU A 13 -5.516 9.851 -10.746 1.00 0.00 C ATOM 195 CD GLU A 13 -5.861 11.211 -11.307 1.00 0.00 C ATOM 196 OE1 GLU A 13 -6.546 11.267 -12.348 1.00 0.00 O ATOM 197 OE2 GLU A 13 -5.446 12.231 -10.717 1.00 0.00 O ATOM 0 H GLU A 13 -5.954 7.489 -11.613 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.179 7.384 -11.500 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -3.410 9.892 -11.096 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -4.352 9.303 -12.451 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.350 9.170 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.381 9.930 -9.667 1.00 0.00 H new ATOM 204 N GLU A 14 -4.565 7.712 -8.571 1.00 0.00 N ATOM 205 CA GLU A 14 -4.308 7.709 -7.150 1.00 0.00 C ATOM 206 C GLU A 14 -3.694 6.388 -6.724 1.00 0.00 C ATOM 207 O GLU A 14 -2.719 6.361 -5.981 1.00 0.00 O ATOM 208 CB GLU A 14 -5.601 7.956 -6.399 1.00 0.00 C ATOM 209 CG GLU A 14 -6.092 9.391 -6.466 1.00 0.00 C ATOM 210 CD GLU A 14 -7.344 9.602 -5.638 1.00 0.00 C ATOM 211 OE1 GLU A 14 -8.436 9.199 -6.096 1.00 0.00 O ATOM 212 OE2 GLU A 14 -7.243 10.154 -4.522 1.00 0.00 O ATOM 0 H GLU A 14 -5.551 7.641 -8.822 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.601 8.505 -6.916 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.373 7.300 -6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.460 7.680 -5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.307 10.060 -6.113 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.294 9.657 -7.504 1.00 0.00 H new ATOM 219 N LYS A 15 -4.274 5.294 -7.201 1.00 0.00 N ATOM 220 CA LYS A 15 -3.706 3.966 -6.972 1.00 0.00 C ATOM 221 C LYS A 15 -2.288 3.895 -7.535 1.00 0.00 C ATOM 222 O LYS A 15 -1.409 3.255 -6.956 1.00 0.00 O ATOM 223 CB LYS A 15 -4.567 2.878 -7.608 1.00 0.00 C ATOM 224 CG LYS A 15 -5.902 2.677 -6.940 1.00 0.00 C ATOM 225 CD LYS A 15 -6.894 2.112 -7.929 1.00 0.00 C ATOM 226 CE LYS A 15 -7.969 1.308 -7.239 1.00 0.00 C ATOM 227 NZ LYS A 15 -8.896 0.662 -8.210 1.00 0.00 N ATOM 0 H LYS A 15 -5.135 5.297 -7.748 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.678 3.796 -5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.732 3.127 -8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.017 1.937 -7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.796 2.000 -6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.268 3.626 -6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.352 2.926 -8.491 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.372 1.481 -8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.505 0.542 -6.617 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.537 1.958 -6.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.533 0.014 -7.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.458 1.392 -8.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.346 0.128 -8.913 1.00 0.00 H new ATOM 241 N ARG A 16 -2.075 4.564 -8.668 1.00 0.00 N ATOM 242 CA ARG A 16 -0.749 4.656 -9.270 1.00 0.00 C ATOM 243 C ARG A 16 0.210 5.370 -8.328 1.00 0.00 C ATOM 244 O ARG A 16 1.259 4.833 -7.980 1.00 0.00 O ATOM 245 CB ARG A 16 -0.808 5.394 -10.608 1.00 0.00 C ATOM 246 CG ARG A 16 0.504 5.350 -11.368 1.00 0.00 C ATOM 247 CD ARG A 16 0.517 6.291 -12.554 1.00 0.00 C ATOM 248 NE ARG A 16 0.422 7.694 -12.155 1.00 0.00 N ATOM 249 CZ ARG A 16 0.086 8.686 -12.978 1.00 0.00 C ATOM 250 NH1 ARG A 16 -0.224 8.431 -14.242 1.00 0.00 N ATOM 251 NH2 ARG A 16 0.063 9.934 -12.536 1.00 0.00 N ATOM 0 H ARG A 16 -2.806 5.050 -9.187 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.387 3.643 -9.448 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -1.593 4.956 -11.224 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.084 6.433 -10.431 1.00 0.00 H new ATOM 0 HG2 ARG A 16 1.320 5.609 -10.693 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.687 4.332 -11.713 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.434 6.140 -13.124 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.314 6.048 -13.216 1.00 0.00 H new ATOM 0 HE ARG A 16 0.626 7.929 -11.184 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -0.206 7.472 -14.588 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.481 9.194 -14.868 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.303 10.136 -11.565 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.194 10.694 -13.166 1.00 0.00 H new ATOM 265 N GLN A 17 -0.168 6.575 -7.909 1.00 0.00 N ATOM 266 CA GLN A 17 0.634 7.357 -6.976 1.00 0.00 C ATOM 267 C GLN A 17 0.883 6.566 -5.700 1.00 0.00 C ATOM 268 O GLN A 17 1.983 6.565 -5.156 1.00 0.00 O ATOM 269 CB GLN A 17 -0.079 8.671 -6.652 1.00 0.00 C ATOM 270 CG GLN A 17 0.765 9.647 -5.850 1.00 0.00 C ATOM 271 CD GLN A 17 1.901 10.257 -6.656 1.00 0.00 C ATOM 272 OE1 GLN A 17 2.466 9.626 -7.551 1.00 0.00 O ATOM 273 NE2 GLN A 17 2.243 11.493 -6.345 1.00 0.00 N ATOM 0 H GLN A 17 -1.031 7.032 -8.204 1.00 0.00 H new ATOM 0 HA GLN A 17 1.596 7.579 -7.439 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -0.382 9.148 -7.584 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -0.990 8.451 -6.096 1.00 0.00 H new ATOM 0 HG2 GLN A 17 0.126 10.445 -5.473 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.179 9.133 -4.983 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.753 11.985 -5.598 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.997 11.956 -6.852 1.00 0.00 H new ATOM 282 N LEU A 18 -0.155 5.881 -5.256 1.00 0.00 N ATOM 283 CA LEU A 18 -0.095 5.013 -4.089 1.00 0.00 C ATOM 284 C LEU A 18 0.997 3.958 -4.270 1.00 0.00 C ATOM 285 O LEU A 18 1.869 3.800 -3.422 1.00 0.00 O ATOM 286 CB LEU A 18 -1.450 4.328 -3.922 1.00 0.00 C ATOM 287 CG LEU A 18 -1.859 3.920 -2.510 1.00 0.00 C ATOM 288 CD1 LEU A 18 -3.157 3.154 -2.573 1.00 0.00 C ATOM 289 CD2 LEU A 18 -0.793 3.094 -1.817 1.00 0.00 C ATOM 0 H LEU A 18 -1.074 5.910 -5.698 1.00 0.00 H new ATOM 0 HA LEU A 18 0.139 5.605 -3.204 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.216 4.996 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.455 3.434 -4.546 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.987 4.828 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.455 2.859 -1.567 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.931 3.785 -3.010 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.025 2.263 -3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.132 2.829 -0.816 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.607 2.185 -2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.128 3.673 -1.747 1.00 0.00 H new ATOM 301 N SER A 19 0.941 3.251 -5.390 1.00 0.00 N ATOM 302 CA SER A 19 1.869 2.166 -5.670 1.00 0.00 C ATOM 303 C SER A 19 3.305 2.684 -5.762 1.00 0.00 C ATOM 304 O SER A 19 4.261 1.986 -5.416 1.00 0.00 O ATOM 305 CB SER A 19 1.452 1.474 -6.971 1.00 0.00 C ATOM 306 OG SER A 19 1.860 2.212 -8.115 1.00 0.00 O ATOM 0 H SER A 19 0.254 3.413 -6.127 1.00 0.00 H new ATOM 0 HA SER A 19 1.836 1.445 -4.853 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.888 0.476 -7.008 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.369 1.350 -6.986 1.00 0.00 H new ATOM 0 HG SER A 19 1.542 3.136 -8.039 1.00 0.00 H new ATOM 312 N LEU A 20 3.433 3.925 -6.202 1.00 0.00 N ATOM 313 CA LEU A 20 4.727 4.568 -6.364 1.00 0.00 C ATOM 314 C LEU A 20 5.256 5.058 -5.018 1.00 0.00 C ATOM 315 O LEU A 20 6.462 5.069 -4.770 1.00 0.00 O ATOM 316 CB LEU A 20 4.589 5.718 -7.361 1.00 0.00 C ATOM 317 CG LEU A 20 4.184 5.285 -8.764 1.00 0.00 C ATOM 318 CD1 LEU A 20 4.203 6.468 -9.701 1.00 0.00 C ATOM 319 CD2 LEU A 20 5.095 4.182 -9.265 1.00 0.00 C ATOM 0 H LEU A 20 2.642 4.516 -6.457 1.00 0.00 H new ATOM 0 HA LEU A 20 5.449 3.849 -6.752 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.849 6.424 -6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.538 6.251 -7.417 1.00 0.00 H new ATOM 0 HG LEU A 20 3.168 4.892 -8.729 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.912 6.145 -10.701 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.504 7.225 -9.346 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.208 6.890 -9.734 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.790 3.886 -10.269 1.00 0.00 H new ATOM 0 HD22 LEU A 20 6.123 4.543 -9.290 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.028 3.323 -8.597 1.00 0.00 H new ATOM 331 N ASP A 21 4.335 5.438 -4.148 1.00 0.00 N ATOM 332 CA ASP A 21 4.666 5.886 -2.803 1.00 0.00 C ATOM 333 C ASP A 21 4.878 4.697 -1.862 1.00 0.00 C ATOM 334 O ASP A 21 5.683 4.762 -0.935 1.00 0.00 O ATOM 335 CB ASP A 21 3.601 6.854 -2.312 1.00 0.00 C ATOM 336 CG ASP A 21 3.769 8.241 -2.915 1.00 0.00 C ATOM 337 OD1 ASP A 21 4.663 8.423 -3.772 1.00 0.00 O ATOM 338 OD2 ASP A 21 3.027 9.166 -2.518 1.00 0.00 O ATOM 0 H ASP A 21 3.336 5.445 -4.353 1.00 0.00 H new ATOM 0 HA ASP A 21 5.614 6.424 -2.819 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.614 6.466 -2.565 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.647 6.923 -1.225 1.00 0.00 H new ATOM 343 N ILE A 22 4.200 3.591 -2.126 1.00 0.00 N ATOM 344 CA ILE A 22 4.498 2.341 -1.440 1.00 0.00 C ATOM 345 C ILE A 22 5.903 1.877 -1.795 1.00 0.00 C ATOM 346 O ILE A 22 6.631 1.348 -0.956 1.00 0.00 O ATOM 347 CB ILE A 22 3.466 1.254 -1.810 1.00 0.00 C ATOM 348 CG1 ILE A 22 2.327 1.256 -0.793 1.00 0.00 C ATOM 349 CG2 ILE A 22 4.098 -0.126 -1.927 1.00 0.00 C ATOM 350 CD1 ILE A 22 1.190 0.326 -1.151 1.00 0.00 C ATOM 0 H ILE A 22 3.443 3.532 -2.807 1.00 0.00 H new ATOM 0 HA ILE A 22 4.441 2.513 -0.365 1.00 0.00 H new ATOM 0 HB ILE A 22 3.065 1.493 -2.795 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.722 0.973 0.183 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.939 2.270 -0.698 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.332 -0.856 -2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.864 -0.111 -2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.551 -0.401 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.419 0.381 -0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.767 0.621 -2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 22 1.563 -0.696 -1.217 1.00 0.00 H new ATOM 362 N ASN A 23 6.282 2.115 -3.041 1.00 0.00 N ATOM 363 CA ASN A 23 7.599 1.743 -3.532 1.00 0.00 C ATOM 364 C ASN A 23 8.686 2.587 -2.860 1.00 0.00 C ATOM 365 O ASN A 23 9.868 2.238 -2.879 1.00 0.00 O ATOM 366 CB ASN A 23 7.639 1.909 -5.053 1.00 0.00 C ATOM 367 CG ASN A 23 8.967 1.500 -5.666 1.00 0.00 C ATOM 368 OD1 ASN A 23 9.188 0.323 -5.960 1.00 0.00 O ATOM 369 ND2 ASN A 23 9.843 2.465 -5.897 1.00 0.00 N ATOM 0 H ASN A 23 5.689 2.569 -3.736 1.00 0.00 H new ATOM 0 HA ASN A 23 7.793 0.699 -3.284 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.842 1.313 -5.498 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.436 2.950 -5.304 1.00 0.00 H new ATOM 0 HD21 ASN A 23 10.739 2.247 -6.333 1.00 0.00 H new ATOM 0 HD22 ASN A 23 9.622 3.427 -5.639 1.00 0.00 H new ATOM 376 N LYS A 24 8.270 3.703 -2.270 1.00 0.00 N ATOM 377 CA LYS A 24 9.175 4.587 -1.548 1.00 0.00 C ATOM 378 C LYS A 24 9.503 4.036 -0.160 1.00 0.00 C ATOM 379 O LYS A 24 10.550 4.350 0.408 1.00 0.00 O ATOM 380 CB LYS A 24 8.540 5.966 -1.411 1.00 0.00 C ATOM 381 CG LYS A 24 8.612 6.823 -2.668 1.00 0.00 C ATOM 382 CD LYS A 24 7.842 8.132 -2.492 1.00 0.00 C ATOM 383 CE LYS A 24 7.945 9.045 -3.708 1.00 0.00 C ATOM 384 NZ LYS A 24 7.122 8.536 -4.834 1.00 0.00 N ATOM 0 H LYS A 24 7.300 4.018 -2.279 1.00 0.00 H new ATOM 0 HA LYS A 24 10.104 4.658 -2.114 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.494 5.844 -1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.030 6.498 -0.595 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.654 7.040 -2.904 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.203 6.269 -3.513 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.793 7.908 -2.299 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.222 8.657 -1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.618 10.050 -3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.986 9.122 -4.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 7.446 8.967 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.219 7.502 -4.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.124 8.782 -4.673 1.00 0.00 H new ATOM 398 N LEU A 25 8.602 3.224 0.384 1.00 0.00 N ATOM 399 CA LEU A 25 8.776 2.671 1.727 1.00 0.00 C ATOM 400 C LEU A 25 9.915 1.660 1.793 1.00 0.00 C ATOM 401 O LEU A 25 10.054 0.807 0.917 1.00 0.00 O ATOM 402 CB LEU A 25 7.494 1.997 2.211 1.00 0.00 C ATOM 403 CG LEU A 25 6.339 2.932 2.540 1.00 0.00 C ATOM 404 CD1 LEU A 25 5.320 2.187 3.365 1.00 0.00 C ATOM 405 CD2 LEU A 25 6.827 4.141 3.301 1.00 0.00 C ATOM 0 H LEU A 25 7.743 2.933 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 25 9.021 3.513 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 25 7.163 1.296 1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 25 7.727 1.411 3.100 1.00 0.00 H new ATOM 0 HG LEU A 25 5.886 3.275 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.490 2.851 3.604 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.949 1.332 2.800 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.784 1.839 4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.984 4.795 3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.295 3.821 4.232 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.555 4.682 2.696 1.00 0.00 H new ATOM 417 N PRO A 26 10.750 1.749 2.846 1.00 0.00 N ATOM 418 CA PRO A 26 11.782 0.748 3.115 1.00 0.00 C ATOM 419 C PRO A 26 11.164 -0.573 3.570 1.00 0.00 C ATOM 420 O PRO A 26 10.032 -0.590 4.054 1.00 0.00 O ATOM 421 CB PRO A 26 12.614 1.369 4.242 1.00 0.00 C ATOM 422 CG PRO A 26 11.704 2.347 4.906 1.00 0.00 C ATOM 423 CD PRO A 26 10.752 2.837 3.845 1.00 0.00 C ATOM 0 HA PRO A 26 12.373 0.514 2.230 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.955 0.609 4.945 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.503 1.862 3.849 1.00 0.00 H new ATOM 0 HG2 PRO A 26 11.162 1.877 5.726 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.270 3.176 5.332 1.00 0.00 H new ATOM 0 HD2 PRO A 26 9.755 3.010 4.251 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.087 3.779 3.411 1.00 0.00 H new ATOM 431 N GLY A 27 11.923 -1.658 3.442 1.00 0.00 N ATOM 432 CA GLY A 27 11.399 -2.997 3.689 1.00 0.00 C ATOM 433 C GLY A 27 10.632 -3.133 4.996 1.00 0.00 C ATOM 434 O GLY A 27 9.489 -3.591 5.004 1.00 0.00 O ATOM 0 H GLY A 27 12.905 -1.635 3.168 1.00 0.00 H new ATOM 0 HA2 GLY A 27 10.743 -3.277 2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.228 -3.705 3.691 1.00 0.00 H new ATOM 438 N GLU A 28 11.252 -2.728 6.095 1.00 0.00 N ATOM 439 CA GLU A 28 10.627 -2.818 7.412 1.00 0.00 C ATOM 440 C GLU A 28 9.317 -2.027 7.474 1.00 0.00 C ATOM 441 O GLU A 28 8.312 -2.504 8.008 1.00 0.00 O ATOM 442 CB GLU A 28 11.582 -2.350 8.521 1.00 0.00 C ATOM 443 CG GLU A 28 12.693 -1.419 8.070 1.00 0.00 C ATOM 444 CD GLU A 28 13.852 -2.146 7.417 1.00 0.00 C ATOM 445 OE1 GLU A 28 14.742 -2.623 8.148 1.00 0.00 O ATOM 446 OE2 GLU A 28 13.875 -2.247 6.173 1.00 0.00 O ATOM 0 H GLU A 28 12.192 -2.332 6.103 1.00 0.00 H new ATOM 0 HA GLU A 28 10.396 -3.870 7.578 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.998 -1.846 9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.032 -3.228 8.985 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.286 -0.692 7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.061 -0.860 8.930 1.00 0.00 H new ATOM 453 N LYS A 29 9.312 -0.836 6.893 1.00 0.00 N ATOM 454 CA LYS A 29 8.132 0.018 6.948 1.00 0.00 C ATOM 455 C LYS A 29 7.055 -0.505 6.007 1.00 0.00 C ATOM 456 O LYS A 29 5.860 -0.303 6.226 1.00 0.00 O ATOM 457 CB LYS A 29 8.482 1.456 6.556 1.00 0.00 C ATOM 458 CG LYS A 29 8.832 2.378 7.718 1.00 0.00 C ATOM 459 CD LYS A 29 9.992 1.853 8.543 1.00 0.00 C ATOM 460 CE LYS A 29 10.787 2.991 9.159 1.00 0.00 C ATOM 461 NZ LYS A 29 9.939 3.886 9.989 1.00 0.00 N ATOM 0 H LYS A 29 10.102 -0.441 6.383 1.00 0.00 H new ATOM 0 HA LYS A 29 7.760 0.007 7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.325 1.432 5.865 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.638 1.884 6.015 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.082 3.366 7.332 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.959 2.498 8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.615 1.201 9.331 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.645 1.248 7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.588 2.581 9.773 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.259 3.573 8.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.545 4.531 10.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.311 4.440 9.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.366 3.314 10.642 1.00 0.00 H new ATOM 475 N LEU A 30 7.481 -1.200 4.972 1.00 0.00 N ATOM 476 CA LEU A 30 6.554 -1.715 3.988 1.00 0.00 C ATOM 477 C LEU A 30 5.947 -3.041 4.435 1.00 0.00 C ATOM 478 O LEU A 30 4.948 -3.486 3.882 1.00 0.00 O ATOM 479 CB LEU A 30 7.230 -1.790 2.614 1.00 0.00 C ATOM 480 CG LEU A 30 6.984 -3.034 1.771 1.00 0.00 C ATOM 481 CD1 LEU A 30 7.244 -2.684 0.332 1.00 0.00 C ATOM 482 CD2 LEU A 30 7.886 -4.182 2.202 1.00 0.00 C ATOM 0 H LEU A 30 8.460 -1.420 4.792 1.00 0.00 H new ATOM 0 HA LEU A 30 5.715 -1.025 3.893 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.910 -0.924 2.035 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.305 -1.694 2.764 1.00 0.00 H new ATOM 0 HG LEU A 30 5.953 -3.363 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.074 -3.561 -0.292 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.571 -1.884 0.025 1.00 0.00 H new ATOM 0 HD13 LEU A 30 8.276 -2.353 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.686 -5.055 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.929 -3.887 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.690 -4.427 3.246 1.00 0.00 H new ATOM 494 N GLY A 31 6.522 -3.652 5.459 1.00 0.00 N ATOM 495 CA GLY A 31 5.874 -4.800 6.070 1.00 0.00 C ATOM 496 C GLY A 31 4.539 -4.405 6.679 1.00 0.00 C ATOM 497 O GLY A 31 3.672 -5.247 6.905 1.00 0.00 O ATOM 0 H GLY A 31 7.413 -3.381 5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.722 -5.578 5.322 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.520 -5.221 6.840 1.00 0.00 H new ATOM 501 N ARG A 32 4.367 -3.111 6.942 1.00 0.00 N ATOM 502 CA ARG A 32 3.084 -2.607 7.414 1.00 0.00 C ATOM 503 C ARG A 32 2.036 -2.639 6.316 1.00 0.00 C ATOM 504 O ARG A 32 0.901 -3.016 6.576 1.00 0.00 O ATOM 505 CB ARG A 32 3.178 -1.185 7.949 1.00 0.00 C ATOM 506 CG ARG A 32 1.843 -0.647 8.440 1.00 0.00 C ATOM 507 CD ARG A 32 1.826 -0.495 9.952 1.00 0.00 C ATOM 508 NE ARG A 32 1.988 -1.781 10.630 1.00 0.00 N ATOM 509 CZ ARG A 32 1.330 -2.137 11.731 1.00 0.00 C ATOM 510 NH1 ARG A 32 0.451 -1.313 12.286 1.00 0.00 N ATOM 511 NH2 ARG A 32 1.554 -3.326 12.278 1.00 0.00 N ATOM 0 H ARG A 32 5.092 -2.401 6.837 1.00 0.00 H new ATOM 0 HA ARG A 32 2.789 -3.270 8.227 1.00 0.00 H new ATOM 0 HB2 ARG A 32 3.898 -1.157 8.767 1.00 0.00 H new ATOM 0 HB3 ARG A 32 3.561 -0.532 7.165 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.645 0.318 7.974 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.043 -1.320 8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 32 2.625 0.180 10.258 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.886 -0.037 10.261 1.00 0.00 H new ATOM 0 HE ARG A 32 2.649 -2.449 10.233 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.275 -0.399 11.869 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.049 -1.594 13.130 1.00 0.00 H new ATOM 0 HH21 ARG A 32 2.229 -3.963 11.855 1.00 0.00 H new ATOM 0 HH22 ARG A 32 1.052 -3.602 13.122 1.00 0.00 H new ATOM 525 N VAL A 33 2.389 -2.229 5.097 1.00 0.00 N ATOM 526 CA VAL A 33 1.410 -2.252 4.008 1.00 0.00 C ATOM 527 C VAL A 33 0.919 -3.667 3.782 1.00 0.00 C ATOM 528 O VAL A 33 -0.279 -3.899 3.692 1.00 0.00 O ATOM 529 CB VAL A 33 1.921 -1.658 2.672 1.00 0.00 C ATOM 530 CG1 VAL A 33 1.209 -0.358 2.377 1.00 0.00 C ATOM 531 CG2 VAL A 33 3.410 -1.408 2.673 1.00 0.00 C ATOM 0 H VAL A 33 3.316 -1.887 4.842 1.00 0.00 H new ATOM 0 HA VAL A 33 0.595 -1.605 4.332 1.00 0.00 H new ATOM 0 HB VAL A 33 1.707 -2.399 1.901 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.575 0.052 1.436 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.137 -0.539 2.301 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.401 0.352 3.181 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.710 -0.992 1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.660 -0.704 3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.937 -2.347 2.842 1.00 0.00 H new ATOM 541 N VAL A 34 1.853 -4.604 3.715 1.00 0.00 N ATOM 542 CA VAL A 34 1.518 -6.032 3.684 1.00 0.00 C ATOM 543 C VAL A 34 0.572 -6.381 4.843 1.00 0.00 C ATOM 544 O VAL A 34 -0.413 -7.083 4.651 1.00 0.00 O ATOM 545 CB VAL A 34 2.789 -6.942 3.748 1.00 0.00 C ATOM 546 CG1 VAL A 34 4.042 -6.176 3.371 1.00 0.00 C ATOM 547 CG2 VAL A 34 2.954 -7.617 5.103 1.00 0.00 C ATOM 0 H VAL A 34 2.853 -4.407 3.681 1.00 0.00 H new ATOM 0 HA VAL A 34 1.023 -6.224 2.732 1.00 0.00 H new ATOM 0 HB VAL A 34 2.639 -7.732 3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.905 -6.840 3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.943 -5.794 2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.180 -5.343 4.060 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.851 -8.237 5.094 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.046 -6.857 5.879 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.084 -8.241 5.307 1.00 0.00 H new ATOM 557 N HIS A 35 0.861 -5.854 6.036 1.00 0.00 N ATOM 558 CA HIS A 35 0.048 -6.126 7.217 1.00 0.00 C ATOM 559 C HIS A 35 -1.346 -5.542 7.048 1.00 0.00 C ATOM 560 O HIS A 35 -2.340 -6.229 7.261 1.00 0.00 O ATOM 561 CB HIS A 35 0.718 -5.554 8.474 1.00 0.00 C ATOM 562 CG HIS A 35 -0.051 -5.794 9.742 1.00 0.00 C ATOM 563 ND1 HIS A 35 0.142 -6.898 10.541 1.00 0.00 N ATOM 564 CD2 HIS A 35 -1.018 -5.061 10.348 1.00 0.00 C ATOM 565 CE1 HIS A 35 -0.671 -6.837 11.578 1.00 0.00 C ATOM 566 NE2 HIS A 35 -1.384 -5.732 11.487 1.00 0.00 N ATOM 0 H HIS A 35 1.654 -5.236 6.206 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.040 -7.206 7.333 1.00 0.00 H new ATOM 0 HB2 HIS A 35 1.711 -5.993 8.575 1.00 0.00 H new ATOM 0 HB3 HIS A 35 0.856 -4.481 8.343 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.424 -4.123 9.999 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.741 -7.569 12.369 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -2.092 -5.426 12.154 1.00 0.00 H new ATOM 575 N ILE A 36 -1.407 -4.272 6.666 1.00 0.00 N ATOM 576 CA ILE A 36 -2.677 -3.597 6.438 1.00 0.00 C ATOM 577 C ILE A 36 -3.463 -4.325 5.362 1.00 0.00 C ATOM 578 O ILE A 36 -4.648 -4.597 5.512 1.00 0.00 O ATOM 579 CB ILE A 36 -2.464 -2.136 5.995 1.00 0.00 C ATOM 580 CG1 ILE A 36 -1.681 -1.381 7.071 1.00 0.00 C ATOM 581 CG2 ILE A 36 -3.810 -1.469 5.728 1.00 0.00 C ATOM 582 CD1 ILE A 36 -1.154 -0.037 6.628 1.00 0.00 C ATOM 0 H ILE A 36 -0.587 -3.687 6.507 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.229 -3.602 7.378 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.887 -2.117 5.070 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.325 -1.238 7.939 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -0.843 -1.998 7.394 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.649 -0.437 5.416 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.334 -2.009 4.940 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.410 -1.483 6.638 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.612 0.430 7.450 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.482 -0.171 5.780 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.987 0.601 6.333 1.00 0.00 H new ATOM 594 N ILE A 37 -2.770 -4.651 4.293 1.00 0.00 N ATOM 595 CA ILE A 37 -3.354 -5.345 3.169 1.00 0.00 C ATOM 596 C ILE A 37 -3.855 -6.737 3.568 1.00 0.00 C ATOM 597 O ILE A 37 -5.037 -6.988 3.504 1.00 0.00 O ATOM 598 CB ILE A 37 -2.336 -5.406 2.022 1.00 0.00 C ATOM 599 CG1 ILE A 37 -2.260 -4.047 1.335 1.00 0.00 C ATOM 600 CG2 ILE A 37 -2.685 -6.494 1.033 1.00 0.00 C ATOM 601 CD1 ILE A 37 -1.006 -3.848 0.538 1.00 0.00 C ATOM 0 H ILE A 37 -1.779 -4.440 4.180 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.229 -4.793 2.825 1.00 0.00 H new ATOM 0 HB ILE A 37 -1.358 -5.651 2.436 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -3.121 -3.933 0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -2.330 -3.263 2.089 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -1.944 -6.510 0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -2.692 -7.459 1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.671 -6.299 0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.020 -2.860 0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -0.140 -3.929 1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.944 -4.610 -0.239 1.00 0.00 H new ATOM 613 N GLN A 38 -2.969 -7.620 4.014 1.00 0.00 N ATOM 614 CA GLN A 38 -3.365 -8.982 4.415 1.00 0.00 C ATOM 615 C GLN A 38 -4.497 -8.976 5.453 1.00 0.00 C ATOM 616 O GLN A 38 -5.327 -9.887 5.485 1.00 0.00 O ATOM 617 CB GLN A 38 -2.175 -9.749 5.002 1.00 0.00 C ATOM 618 CG GLN A 38 -1.044 -10.009 4.026 1.00 0.00 C ATOM 619 CD GLN A 38 0.130 -10.709 4.680 1.00 0.00 C ATOM 620 OE1 GLN A 38 1.280 -10.486 4.320 1.00 0.00 O ATOM 621 NE2 GLN A 38 -0.157 -11.586 5.629 1.00 0.00 N ATOM 0 H GLN A 38 -1.972 -7.426 4.110 1.00 0.00 H new ATOM 0 HA GLN A 38 -3.720 -9.474 3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.783 -9.189 5.851 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.531 -10.704 5.388 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -1.413 -10.617 3.200 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.709 -9.063 3.601 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.127 -11.744 5.901 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.592 -12.104 6.088 1.00 0.00 H new ATOM 630 N SER A 39 -4.517 -7.963 6.315 1.00 0.00 N ATOM 631 CA SER A 39 -5.525 -7.883 7.366 1.00 0.00 C ATOM 632 C SER A 39 -6.854 -7.365 6.818 1.00 0.00 C ATOM 633 O SER A 39 -7.915 -7.922 7.104 1.00 0.00 O ATOM 634 CB SER A 39 -5.035 -6.991 8.510 1.00 0.00 C ATOM 635 OG SER A 39 -4.780 -5.669 8.069 1.00 0.00 O ATOM 0 H SER A 39 -3.851 -7.191 6.306 1.00 0.00 H new ATOM 0 HA SER A 39 -5.689 -8.889 7.752 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.782 -6.973 9.303 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.126 -7.414 8.938 1.00 0.00 H new ATOM 0 HG SER A 39 -3.867 -5.612 7.717 1.00 0.00 H new ATOM 641 N ARG A 40 -6.790 -6.299 6.030 1.00 0.00 N ATOM 642 CA ARG A 40 -7.989 -5.707 5.449 1.00 0.00 C ATOM 643 C ARG A 40 -8.457 -6.506 4.239 1.00 0.00 C ATOM 644 O ARG A 40 -9.613 -6.415 3.833 1.00 0.00 O ATOM 645 CB ARG A 40 -7.736 -4.238 5.090 1.00 0.00 C ATOM 646 CG ARG A 40 -7.436 -3.407 6.313 1.00 0.00 C ATOM 647 CD ARG A 40 -7.145 -1.959 5.989 1.00 0.00 C ATOM 648 NE ARG A 40 -8.369 -1.162 5.973 1.00 0.00 N ATOM 649 CZ ARG A 40 -8.480 0.054 6.513 1.00 0.00 C ATOM 650 NH1 ARG A 40 -7.414 0.679 6.997 1.00 0.00 N ATOM 651 NH2 ARG A 40 -9.666 0.642 6.571 1.00 0.00 N ATOM 0 H ARG A 40 -5.922 -5.827 5.779 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.788 -5.739 6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.901 -4.173 4.392 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.610 -3.832 4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.284 -3.457 6.996 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.580 -3.835 6.835 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.453 -1.551 6.726 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.653 -1.893 5.019 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.192 -1.560 5.520 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.499 0.231 6.959 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.510 1.608 7.407 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.490 0.166 6.204 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.755 1.571 6.983 1.00 0.00 H new ATOM 665 N GLU A 41 -7.550 -7.296 3.687 1.00 0.00 N ATOM 666 CA GLU A 41 -7.845 -8.202 2.582 1.00 0.00 C ATOM 667 C GLU A 41 -7.586 -9.642 3.019 1.00 0.00 C ATOM 668 O GLU A 41 -6.589 -10.241 2.610 1.00 0.00 O ATOM 669 CB GLU A 41 -6.920 -7.926 1.400 1.00 0.00 C ATOM 670 CG GLU A 41 -6.742 -6.468 1.056 1.00 0.00 C ATOM 671 CD GLU A 41 -7.973 -5.862 0.424 1.00 0.00 C ATOM 672 OE1 GLU A 41 -8.638 -6.553 -0.375 1.00 0.00 O ATOM 673 OE2 GLU A 41 -8.306 -4.705 0.755 1.00 0.00 O ATOM 0 H GLU A 41 -6.578 -7.329 3.995 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.886 -8.052 2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.941 -8.355 1.616 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.309 -8.445 0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.493 -5.914 1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.898 -6.360 0.374 1.00 0.00 H new ATOM 680 N PRO A 42 -8.456 -10.232 3.847 1.00 0.00 N ATOM 681 CA PRO A 42 -8.229 -11.582 4.368 1.00 0.00 C ATOM 682 C PRO A 42 -8.193 -12.636 3.263 1.00 0.00 C ATOM 683 O PRO A 42 -7.763 -13.767 3.485 1.00 0.00 O ATOM 684 CB PRO A 42 -9.421 -11.823 5.301 1.00 0.00 C ATOM 685 CG PRO A 42 -9.986 -10.470 5.575 1.00 0.00 C ATOM 686 CD PRO A 42 -9.710 -9.653 4.346 1.00 0.00 C ATOM 0 HA PRO A 42 -7.263 -11.661 4.868 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -10.162 -12.471 4.833 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.106 -12.312 6.223 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.056 -10.527 5.774 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.521 -10.023 6.454 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.514 -9.738 3.615 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.602 -8.594 4.580 1.00 0.00 H new ATOM 694 N SER A 43 -8.633 -12.257 2.069 1.00 0.00 N ATOM 695 CA SER A 43 -8.602 -13.149 0.922 1.00 0.00 C ATOM 696 C SER A 43 -7.161 -13.451 0.506 1.00 0.00 C ATOM 697 O SER A 43 -6.892 -14.456 -0.152 1.00 0.00 O ATOM 698 CB SER A 43 -9.369 -12.525 -0.242 1.00 0.00 C ATOM 699 OG SER A 43 -10.691 -12.182 0.150 1.00 0.00 O ATOM 0 H SER A 43 -9.017 -11.333 1.872 1.00 0.00 H new ATOM 0 HA SER A 43 -9.079 -14.089 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.846 -11.635 -0.592 1.00 0.00 H new ATOM 0 HB3 SER A 43 -9.403 -13.224 -1.078 1.00 0.00 H new ATOM 0 HG SER A 43 -11.164 -11.782 -0.610 1.00 0.00 H new ATOM 705 N LEU A 44 -6.235 -12.580 0.895 1.00 0.00 N ATOM 706 CA LEU A 44 -4.827 -12.799 0.606 1.00 0.00 C ATOM 707 C LEU A 44 -4.044 -13.029 1.898 1.00 0.00 C ATOM 708 O LEU A 44 -2.831 -12.842 1.949 1.00 0.00 O ATOM 709 CB LEU A 44 -4.251 -11.631 -0.220 1.00 0.00 C ATOM 710 CG LEU A 44 -4.365 -10.235 0.374 1.00 0.00 C ATOM 711 CD1 LEU A 44 -3.075 -9.841 1.060 1.00 0.00 C ATOM 712 CD2 LEU A 44 -4.711 -9.234 -0.717 1.00 0.00 C ATOM 0 H LEU A 44 -6.435 -11.721 1.408 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.729 -13.700 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.196 -11.835 -0.403 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.748 -11.627 -1.190 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.161 -10.236 1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.177 -8.840 1.478 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.858 -10.548 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.260 -9.851 0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.791 -8.237 -0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.929 -9.238 -1.476 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.662 -9.508 -1.174 1.00 0.00 H new ATOM 724 N LYS A 45 -4.759 -13.464 2.936 1.00 0.00 N ATOM 725 CA LYS A 45 -4.122 -13.794 4.239 1.00 0.00 C ATOM 726 C LYS A 45 -3.042 -14.861 4.059 1.00 0.00 C ATOM 727 O LYS A 45 -2.067 -14.906 4.808 1.00 0.00 O ATOM 728 CB LYS A 45 -5.132 -14.307 5.305 1.00 0.00 C ATOM 729 CG LYS A 45 -4.700 -14.044 6.745 1.00 0.00 C ATOM 730 CD LYS A 45 -5.795 -14.385 7.745 1.00 0.00 C ATOM 731 CE LYS A 45 -5.868 -15.881 8.013 1.00 0.00 C ATOM 732 NZ LYS A 45 -6.665 -16.615 6.997 1.00 0.00 N ATOM 0 H LYS A 45 -5.770 -13.599 2.915 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.691 -12.859 4.597 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.098 -13.832 5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.275 -15.379 5.169 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.810 -14.632 6.969 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.425 -12.995 6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.611 -13.857 8.680 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.755 -14.036 7.366 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.858 -16.290 8.039 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.304 -16.047 8.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.227 -17.355 7.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.302 -15.952 6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.025 -17.052 6.303 1.00 0.00 H new ATOM 746 N ASN A 46 -3.227 -15.719 3.061 1.00 0.00 N ATOM 747 CA ASN A 46 -2.316 -16.836 2.813 1.00 0.00 C ATOM 748 C ASN A 46 -1.023 -16.372 2.142 1.00 0.00 C ATOM 749 O ASN A 46 -0.105 -17.166 1.930 1.00 0.00 O ATOM 750 CB ASN A 46 -3.006 -17.890 1.926 1.00 0.00 C ATOM 751 CG ASN A 46 -3.427 -17.325 0.582 1.00 0.00 C ATOM 752 OD1 ASN A 46 -4.510 -16.756 0.446 1.00 0.00 O ATOM 753 ND2 ASN A 46 -2.584 -17.488 -0.423 1.00 0.00 N ATOM 0 H ASN A 46 -4.006 -15.663 2.405 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.059 -17.273 3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -2.328 -18.729 1.769 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.882 -18.280 2.444 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -2.822 -17.137 -1.351 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -1.695 -17.965 -0.271 1.00 0.00 H new ATOM 760 N SER A 47 -0.960 -15.095 1.801 1.00 0.00 N ATOM 761 CA SER A 47 0.216 -14.536 1.152 1.00 0.00 C ATOM 762 C SER A 47 1.320 -14.272 2.177 1.00 0.00 C ATOM 763 O SER A 47 1.043 -14.001 3.349 1.00 0.00 O ATOM 764 CB SER A 47 -0.165 -13.248 0.421 1.00 0.00 C ATOM 765 OG SER A 47 -1.137 -13.504 -0.581 1.00 0.00 O ATOM 0 H SER A 47 -1.711 -14.424 1.963 1.00 0.00 H new ATOM 0 HA SER A 47 0.598 -15.254 0.426 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.555 -12.522 1.134 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.722 -12.806 -0.032 1.00 0.00 H new ATOM 0 HG SER A 47 -1.250 -12.706 -1.138 1.00 0.00 H new ATOM 771 N ASN A 48 2.567 -14.371 1.732 1.00 0.00 N ATOM 772 CA ASN A 48 3.719 -14.197 2.611 1.00 0.00 C ATOM 773 C ASN A 48 3.921 -12.723 2.926 1.00 0.00 C ATOM 774 O ASN A 48 3.924 -11.886 2.028 1.00 0.00 O ATOM 775 CB ASN A 48 4.985 -14.748 1.959 1.00 0.00 C ATOM 776 CG ASN A 48 4.848 -16.192 1.512 1.00 0.00 C ATOM 777 OD1 ASN A 48 4.439 -16.467 0.384 1.00 0.00 O ATOM 778 ND2 ASN A 48 5.201 -17.123 2.382 1.00 0.00 N ATOM 0 H ASN A 48 2.808 -14.572 0.761 1.00 0.00 H new ATOM 0 HA ASN A 48 3.525 -14.745 3.533 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.241 -14.131 1.098 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.813 -14.670 2.664 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.139 -18.109 2.127 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.535 -16.855 3.308 1.00 0.00 H new ATOM 785 N PRO A 49 4.121 -12.396 4.211 1.00 0.00 N ATOM 786 CA PRO A 49 4.206 -11.005 4.673 1.00 0.00 C ATOM 787 C PRO A 49 5.436 -10.265 4.156 1.00 0.00 C ATOM 788 O PRO A 49 5.440 -9.043 4.069 1.00 0.00 O ATOM 789 CB PRO A 49 4.264 -11.138 6.194 1.00 0.00 C ATOM 790 CG PRO A 49 4.781 -12.507 6.446 1.00 0.00 C ATOM 791 CD PRO A 49 4.267 -13.355 5.321 1.00 0.00 C ATOM 0 HA PRO A 49 3.364 -10.417 4.307 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.918 -10.383 6.631 1.00 0.00 H new ATOM 0 HB3 PRO A 49 3.278 -11.001 6.639 1.00 0.00 H new ATOM 0 HG2 PRO A 49 5.871 -12.514 6.474 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.435 -12.884 7.409 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.963 -14.156 5.071 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.317 -13.825 5.574 1.00 0.00 H new ATOM 799 N ASP A 50 6.481 -10.997 3.813 1.00 0.00 N ATOM 800 CA ASP A 50 7.695 -10.366 3.314 1.00 0.00 C ATOM 801 C ASP A 50 7.800 -10.516 1.803 1.00 0.00 C ATOM 802 O ASP A 50 8.789 -10.100 1.196 1.00 0.00 O ATOM 803 CB ASP A 50 8.935 -10.948 3.995 1.00 0.00 C ATOM 804 CG ASP A 50 9.010 -10.607 5.470 1.00 0.00 C ATOM 805 OD1 ASP A 50 9.298 -9.436 5.802 1.00 0.00 O ATOM 806 OD2 ASP A 50 8.785 -11.505 6.310 1.00 0.00 O ATOM 0 H ASP A 50 6.517 -12.015 3.869 1.00 0.00 H new ATOM 0 HA ASP A 50 7.641 -9.304 3.553 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.934 -12.032 3.877 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.828 -10.574 3.494 1.00 0.00 H new ATOM 811 N GLU A 51 6.765 -11.086 1.196 1.00 0.00 N ATOM 812 CA GLU A 51 6.744 -11.308 -0.246 1.00 0.00 C ATOM 813 C GLU A 51 5.357 -10.985 -0.773 1.00 0.00 C ATOM 814 O GLU A 51 4.887 -11.581 -1.745 1.00 0.00 O ATOM 815 CB GLU A 51 7.121 -12.754 -0.626 1.00 0.00 C ATOM 816 CG GLU A 51 8.495 -13.224 -0.158 1.00 0.00 C ATOM 817 CD GLU A 51 8.440 -14.051 1.111 1.00 0.00 C ATOM 818 OE1 GLU A 51 8.133 -15.258 1.023 1.00 0.00 O ATOM 819 OE2 GLU A 51 8.726 -13.512 2.196 1.00 0.00 O ATOM 0 H GLU A 51 5.926 -11.404 1.682 1.00 0.00 H new ATOM 0 HA GLU A 51 7.491 -10.654 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.368 -13.426 -0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.075 -12.849 -1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.960 -13.813 -0.949 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.132 -12.355 0.009 1.00 0.00 H new ATOM 826 N ILE A 52 4.699 -10.060 -0.092 1.00 0.00 N ATOM 827 CA ILE A 52 3.319 -9.723 -0.381 1.00 0.00 C ATOM 828 C ILE A 52 3.155 -9.178 -1.789 1.00 0.00 C ATOM 829 O ILE A 52 4.092 -8.678 -2.408 1.00 0.00 O ATOM 830 CB ILE A 52 2.760 -8.720 0.656 1.00 0.00 C ATOM 831 CG1 ILE A 52 1.249 -8.884 0.797 1.00 0.00 C ATOM 832 CG2 ILE A 52 3.083 -7.294 0.261 1.00 0.00 C ATOM 833 CD1 ILE A 52 0.834 -10.264 1.205 1.00 0.00 C ATOM 0 H ILE A 52 5.107 -9.525 0.674 1.00 0.00 H new ATOM 0 HA ILE A 52 2.744 -10.646 -0.312 1.00 0.00 H new ATOM 0 HB ILE A 52 3.234 -8.932 1.614 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.881 -8.170 1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.774 -8.636 -0.152 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.679 -6.609 1.007 1.00 0.00 H new ATOM 0 HG22 ILE A 52 4.164 -7.169 0.202 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.639 -7.076 -0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.252 -10.308 1.286 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.172 -10.982 0.457 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.280 -10.508 2.169 1.00 0.00 H new ATOM 845 N GLU A 53 1.955 -9.321 -2.291 1.00 0.00 N ATOM 846 CA GLU A 53 1.607 -8.827 -3.606 1.00 0.00 C ATOM 847 C GLU A 53 0.496 -7.797 -3.432 1.00 0.00 C ATOM 848 O GLU A 53 -0.671 -8.149 -3.256 1.00 0.00 O ATOM 849 CB GLU A 53 1.180 -10.022 -4.490 1.00 0.00 C ATOM 850 CG GLU A 53 0.969 -9.726 -5.973 1.00 0.00 C ATOM 851 CD GLU A 53 -0.353 -9.055 -6.261 1.00 0.00 C ATOM 852 OE1 GLU A 53 -1.396 -9.747 -6.197 1.00 0.00 O ATOM 853 OE2 GLU A 53 -0.359 -7.855 -6.567 1.00 0.00 O ATOM 0 H GLU A 53 1.188 -9.783 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 53 2.448 -8.344 -4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.937 -10.801 -4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.253 -10.431 -4.088 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.778 -9.088 -6.329 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.027 -10.658 -6.535 1.00 0.00 H new ATOM 860 N ILE A 54 0.878 -6.522 -3.404 1.00 0.00 N ATOM 861 CA ILE A 54 -0.075 -5.449 -3.260 1.00 0.00 C ATOM 862 C ILE A 54 -0.819 -5.231 -4.574 1.00 0.00 C ATOM 863 O ILE A 54 -0.286 -4.617 -5.504 1.00 0.00 O ATOM 864 CB ILE A 54 0.625 -4.135 -2.874 1.00 0.00 C ATOM 865 CG1 ILE A 54 1.505 -4.303 -1.631 1.00 0.00 C ATOM 866 CG2 ILE A 54 -0.400 -3.048 -2.649 1.00 0.00 C ATOM 867 CD1 ILE A 54 2.108 -2.994 -1.164 1.00 0.00 C ATOM 0 H ILE A 54 1.848 -6.216 -3.480 1.00 0.00 H new ATOM 0 HA ILE A 54 -0.773 -5.730 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 54 1.276 -3.850 -3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.911 -4.733 -0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.305 -5.010 -1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.106 -2.122 -2.376 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.973 -2.893 -3.563 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.074 -3.344 -1.845 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.722 -3.171 -0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.726 -2.575 -1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.310 -2.294 -0.917 1.00 0.00 H new ATOM 879 N ASP A 55 -2.040 -5.731 -4.651 1.00 0.00 N ATOM 880 CA ASP A 55 -2.847 -5.570 -5.853 1.00 0.00 C ATOM 881 C ASP A 55 -3.885 -4.486 -5.625 1.00 0.00 C ATOM 882 O ASP A 55 -4.905 -4.710 -4.976 1.00 0.00 O ATOM 883 CB ASP A 55 -3.532 -6.882 -6.243 1.00 0.00 C ATOM 884 CG ASP A 55 -4.334 -6.745 -7.522 1.00 0.00 C ATOM 885 OD1 ASP A 55 -5.528 -6.391 -7.444 1.00 0.00 O ATOM 886 OD2 ASP A 55 -3.773 -6.989 -8.610 1.00 0.00 O ATOM 0 H ASP A 55 -2.495 -6.250 -3.900 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.190 -5.281 -6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -2.780 -7.661 -6.368 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.190 -7.202 -5.435 1.00 0.00 H new ATOM 891 N PHE A 56 -3.617 -3.316 -6.175 1.00 0.00 N ATOM 892 CA PHE A 56 -4.402 -2.123 -5.882 1.00 0.00 C ATOM 893 C PHE A 56 -5.805 -2.172 -6.481 1.00 0.00 C ATOM 894 O PHE A 56 -6.639 -1.319 -6.190 1.00 0.00 O ATOM 895 CB PHE A 56 -3.649 -0.893 -6.368 1.00 0.00 C ATOM 896 CG PHE A 56 -2.342 -0.709 -5.659 1.00 0.00 C ATOM 897 CD1 PHE A 56 -2.309 -0.164 -4.391 1.00 0.00 C ATOM 898 CD2 PHE A 56 -1.151 -1.092 -6.245 1.00 0.00 C ATOM 899 CE1 PHE A 56 -1.131 0.002 -3.719 1.00 0.00 C ATOM 900 CE2 PHE A 56 0.041 -0.927 -5.573 1.00 0.00 C ATOM 901 CZ PHE A 56 0.048 -0.375 -4.306 1.00 0.00 C ATOM 0 H PHE A 56 -2.854 -3.162 -6.834 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.537 -2.073 -4.802 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.469 -0.980 -7.440 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.268 -0.008 -6.219 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.233 0.137 -3.921 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.154 -1.523 -7.235 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.129 0.429 -2.727 1.00 0.00 H new ATOM 0 HE2 PHE A 56 0.969 -1.229 -6.036 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.981 -0.241 -3.780 1.00 0.00 H new ATOM 911 N GLU A 57 -6.065 -3.174 -7.304 1.00 0.00 N ATOM 912 CA GLU A 57 -7.386 -3.354 -7.882 1.00 0.00 C ATOM 913 C GLU A 57 -8.282 -4.146 -6.941 1.00 0.00 C ATOM 914 O GLU A 57 -9.486 -3.900 -6.859 1.00 0.00 O ATOM 915 CB GLU A 57 -7.284 -4.055 -9.233 1.00 0.00 C ATOM 916 CG GLU A 57 -6.817 -3.139 -10.348 1.00 0.00 C ATOM 917 CD GLU A 57 -7.784 -1.999 -10.596 1.00 0.00 C ATOM 918 OE1 GLU A 57 -7.638 -0.934 -9.961 1.00 0.00 O ATOM 919 OE2 GLU A 57 -8.699 -2.165 -11.427 1.00 0.00 O ATOM 0 H GLU A 57 -5.380 -3.875 -7.587 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.831 -2.370 -8.032 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.594 -4.894 -9.148 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.258 -4.468 -9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.837 -2.733 -10.096 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.697 -3.717 -11.264 1.00 0.00 H new ATOM 926 N THR A 58 -7.692 -5.092 -6.230 1.00 0.00 N ATOM 927 CA THR A 58 -8.439 -5.915 -5.298 1.00 0.00 C ATOM 928 C THR A 58 -8.467 -5.289 -3.910 1.00 0.00 C ATOM 929 O THR A 58 -9.390 -5.537 -3.134 1.00 0.00 O ATOM 930 CB THR A 58 -7.859 -7.337 -5.224 1.00 0.00 C ATOM 931 OG1 THR A 58 -6.440 -7.277 -5.062 1.00 0.00 O ATOM 932 CG2 THR A 58 -8.195 -8.115 -6.485 1.00 0.00 C ATOM 0 H THR A 58 -6.697 -5.308 -6.282 1.00 0.00 H new ATOM 0 HA THR A 58 -9.462 -5.978 -5.669 1.00 0.00 H new ATOM 0 HB THR A 58 -8.301 -7.846 -4.367 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.033 -6.916 -5.877 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.777 -9.119 -6.415 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.278 -8.180 -6.595 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.772 -7.605 -7.351 1.00 0.00 H new ATOM 940 N LEU A 59 -7.457 -4.473 -3.606 1.00 0.00 N ATOM 941 CA LEU A 59 -7.421 -3.742 -2.349 1.00 0.00 C ATOM 942 C LEU A 59 -8.661 -2.874 -2.207 1.00 0.00 C ATOM 943 O LEU A 59 -8.999 -2.103 -3.110 1.00 0.00 O ATOM 944 CB LEU A 59 -6.171 -2.890 -2.253 1.00 0.00 C ATOM 945 CG LEU A 59 -4.887 -3.696 -2.209 1.00 0.00 C ATOM 946 CD1 LEU A 59 -3.690 -2.789 -2.082 1.00 0.00 C ATOM 947 CD2 LEU A 59 -4.938 -4.689 -1.063 1.00 0.00 C ATOM 0 H LEU A 59 -6.656 -4.305 -4.215 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.403 -4.467 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.136 -2.214 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.232 -2.271 -1.358 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.788 -4.248 -3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.780 -3.389 -2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.652 -2.115 -2.937 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.771 -2.207 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.012 -5.264 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.057 -4.152 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.781 -5.365 -1.205 1.00 0.00 H new ATOM 959 N LYS A 60 -9.358 -3.036 -1.095 1.00 0.00 N ATOM 960 CA LYS A 60 -10.535 -2.234 -0.809 1.00 0.00 C ATOM 961 C LYS A 60 -10.121 -0.772 -0.659 1.00 0.00 C ATOM 962 O LYS A 60 -9.028 -0.498 -0.155 1.00 0.00 O ATOM 963 CB LYS A 60 -11.218 -2.741 0.474 1.00 0.00 C ATOM 964 CG LYS A 60 -11.743 -4.166 0.365 1.00 0.00 C ATOM 965 CD LYS A 60 -12.171 -4.738 1.714 1.00 0.00 C ATOM 966 CE LYS A 60 -12.036 -6.258 1.735 1.00 0.00 C ATOM 967 NZ LYS A 60 -10.650 -6.704 1.458 1.00 0.00 N ATOM 0 H LYS A 60 -9.128 -3.719 -0.373 1.00 0.00 H new ATOM 0 HA LYS A 60 -11.247 -2.319 -1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.508 -2.687 1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -12.045 -2.076 0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.591 -4.186 -0.319 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.970 -4.802 -0.067 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -11.560 -4.305 2.506 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.204 -4.459 1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.349 -6.635 2.709 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.709 -6.690 0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.601 -7.741 1.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.371 -6.397 0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.005 -6.287 2.159 1.00 0.00 H new ATOM 981 N PRO A 61 -10.949 0.183 -1.135 1.00 0.00 N ATOM 982 CA PRO A 61 -10.686 1.616 -0.973 1.00 0.00 C ATOM 983 C PRO A 61 -10.196 1.966 0.429 1.00 0.00 C ATOM 984 O PRO A 61 -9.350 2.846 0.608 1.00 0.00 O ATOM 985 CB PRO A 61 -12.050 2.248 -1.225 1.00 0.00 C ATOM 986 CG PRO A 61 -12.728 1.327 -2.172 1.00 0.00 C ATOM 987 CD PRO A 61 -12.179 -0.058 -1.912 1.00 0.00 C ATOM 0 HA PRO A 61 -9.900 1.964 -1.644 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -12.616 2.349 -0.299 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.950 3.247 -1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -13.808 1.348 -2.024 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -12.542 1.628 -3.203 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -12.889 -0.670 -1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -11.966 -0.584 -2.843 1.00 0.00 H new ATOM 995 N SER A 62 -10.728 1.251 1.408 1.00 0.00 N ATOM 996 CA SER A 62 -10.355 1.424 2.800 1.00 0.00 C ATOM 997 C SER A 62 -8.859 1.159 2.997 1.00 0.00 C ATOM 998 O SER A 62 -8.146 1.983 3.577 1.00 0.00 O ATOM 999 CB SER A 62 -11.198 0.461 3.663 1.00 0.00 C ATOM 1000 OG SER A 62 -11.029 -0.879 3.231 1.00 0.00 O ATOM 0 H SER A 62 -11.434 0.531 1.257 1.00 0.00 H new ATOM 0 HA SER A 62 -10.550 2.452 3.105 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.904 0.551 4.709 1.00 0.00 H new ATOM 0 HB3 SER A 62 -12.251 0.738 3.603 1.00 0.00 H new ATOM 0 HG SER A 62 -11.570 -1.474 3.791 1.00 0.00 H new ATOM 1006 N THR A 63 -8.388 0.020 2.498 1.00 0.00 N ATOM 1007 CA THR A 63 -6.979 -0.331 2.590 1.00 0.00 C ATOM 1008 C THR A 63 -6.139 0.688 1.844 1.00 0.00 C ATOM 1009 O THR A 63 -5.168 1.199 2.379 1.00 0.00 O ATOM 1010 CB THR A 63 -6.704 -1.738 2.009 1.00 0.00 C ATOM 1011 OG1 THR A 63 -7.818 -2.596 2.296 1.00 0.00 O ATOM 1012 CG2 THR A 63 -5.433 -2.348 2.596 1.00 0.00 C ATOM 0 H THR A 63 -8.965 -0.676 2.025 1.00 0.00 H new ATOM 0 HA THR A 63 -6.710 -0.335 3.646 1.00 0.00 H new ATOM 0 HB THR A 63 -6.567 -1.640 0.932 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.951 -3.220 1.552 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.271 -3.336 2.165 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.582 -1.708 2.365 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.538 -2.436 3.677 1.00 0.00 H new ATOM 1020 N LEU A 64 -6.552 1.009 0.625 1.00 0.00 N ATOM 1021 CA LEU A 64 -5.803 1.920 -0.228 1.00 0.00 C ATOM 1022 C LEU A 64 -5.614 3.280 0.434 1.00 0.00 C ATOM 1023 O LEU A 64 -4.511 3.827 0.429 1.00 0.00 O ATOM 1024 CB LEU A 64 -6.515 2.081 -1.567 1.00 0.00 C ATOM 1025 CG LEU A 64 -6.614 0.812 -2.400 1.00 0.00 C ATOM 1026 CD1 LEU A 64 -7.526 1.035 -3.587 1.00 0.00 C ATOM 1027 CD2 LEU A 64 -5.236 0.376 -2.855 1.00 0.00 C ATOM 0 H LEU A 64 -7.408 0.649 0.203 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.814 1.491 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.522 2.456 -1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.993 2.840 -2.150 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.039 0.018 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.588 0.119 -4.175 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.521 1.309 -3.235 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.127 1.838 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.320 -0.533 -3.450 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.786 1.164 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.609 0.183 -1.984 1.00 0.00 H new ATOM 1039 N ARG A 65 -6.684 3.822 1.011 1.00 0.00 N ATOM 1040 CA ARG A 65 -6.603 5.106 1.695 1.00 0.00 C ATOM 1041 C ARG A 65 -5.713 5.003 2.928 1.00 0.00 C ATOM 1042 O ARG A 65 -5.125 5.992 3.362 1.00 0.00 O ATOM 1043 CB ARG A 65 -7.994 5.608 2.080 1.00 0.00 C ATOM 1044 CG ARG A 65 -8.843 6.045 0.892 1.00 0.00 C ATOM 1045 CD ARG A 65 -8.275 7.285 0.215 1.00 0.00 C ATOM 1046 NE ARG A 65 -9.009 7.643 -1.002 1.00 0.00 N ATOM 1047 CZ ARG A 65 -8.570 8.536 -1.898 1.00 0.00 C ATOM 1048 NH1 ARG A 65 -7.433 9.186 -1.692 1.00 0.00 N ATOM 1049 NH2 ARG A 65 -9.265 8.784 -3.001 1.00 0.00 N ATOM 0 H ARG A 65 -7.610 3.394 1.018 1.00 0.00 H new ATOM 0 HA ARG A 65 -6.159 5.827 1.008 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -8.519 4.818 2.618 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -7.889 6.447 2.768 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -8.902 5.231 0.169 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.860 6.248 1.227 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -8.304 8.122 0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -7.228 7.113 -0.033 1.00 0.00 H new ATOM 0 HE ARG A 65 -9.904 7.186 -1.176 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.889 9.007 -0.848 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -7.103 9.865 -2.377 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -10.142 8.293 -3.172 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.922 9.466 -3.677 1.00 0.00 H new ATOM 1063 N GLU A 66 -5.610 3.805 3.485 1.00 0.00 N ATOM 1064 CA GLU A 66 -4.716 3.560 4.600 1.00 0.00 C ATOM 1065 C GLU A 66 -3.270 3.465 4.112 1.00 0.00 C ATOM 1066 O GLU A 66 -2.416 4.205 4.577 1.00 0.00 O ATOM 1067 CB GLU A 66 -5.125 2.275 5.320 1.00 0.00 C ATOM 1068 CG GLU A 66 -4.196 1.883 6.450 1.00 0.00 C ATOM 1069 CD GLU A 66 -4.214 2.875 7.593 1.00 0.00 C ATOM 1070 OE1 GLU A 66 -5.194 2.867 8.370 1.00 0.00 O ATOM 1071 OE2 GLU A 66 -3.261 3.667 7.725 1.00 0.00 O ATOM 0 H GLU A 66 -6.138 2.987 3.180 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.786 4.392 5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.133 2.397 5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.164 1.461 4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.480 0.899 6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.180 1.796 6.066 1.00 0.00 H new ATOM 1078 N LEU A 67 -3.018 2.554 3.167 1.00 0.00 N ATOM 1079 CA LEU A 67 -1.692 2.367 2.569 1.00 0.00 C ATOM 1080 C LEU A 67 -1.089 3.712 2.166 1.00 0.00 C ATOM 1081 O LEU A 67 0.039 4.027 2.537 1.00 0.00 O ATOM 1082 CB LEU A 67 -1.805 1.455 1.338 1.00 0.00 C ATOM 1083 CG LEU A 67 -2.686 0.226 1.530 1.00 0.00 C ATOM 1084 CD1 LEU A 67 -2.890 -0.486 0.218 1.00 0.00 C ATOM 1085 CD2 LEU A 67 -2.065 -0.723 2.533 1.00 0.00 C ATOM 0 H LEU A 67 -3.729 1.924 2.794 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.038 1.902 3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.197 2.039 0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.805 1.127 1.054 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.653 0.558 1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.521 -1.361 0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.372 0.188 -0.491 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.925 -0.801 -0.179 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.709 -1.594 2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.087 -1.043 2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.952 -0.216 3.492 1.00 0.00 H new ATOM 1097 N GLU A 68 -1.865 4.511 1.435 1.00 0.00 N ATOM 1098 CA GLU A 68 -1.433 5.843 1.012 1.00 0.00 C ATOM 1099 C GLU A 68 -1.073 6.703 2.222 1.00 0.00 C ATOM 1100 O GLU A 68 0.076 7.095 2.402 1.00 0.00 O ATOM 1101 CB GLU A 68 -2.548 6.535 0.228 1.00 0.00 C ATOM 1102 CG GLU A 68 -2.155 7.897 -0.313 1.00 0.00 C ATOM 1103 CD GLU A 68 -3.354 8.746 -0.682 1.00 0.00 C ATOM 1104 OE1 GLU A 68 -3.901 8.566 -1.786 1.00 0.00 O ATOM 1105 OE2 GLU A 68 -3.752 9.603 0.139 1.00 0.00 O ATOM 0 H GLU A 68 -2.802 4.257 1.122 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.554 5.726 0.379 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.847 5.896 -0.603 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.419 6.647 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.559 8.422 0.433 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.523 7.766 -1.191 1.00 0.00 H new ATOM 1112 N ARG A 69 -2.067 6.972 3.058 1.00 0.00 N ATOM 1113 CA ARG A 69 -1.896 7.809 4.244 1.00 0.00 C ATOM 1114 C ARG A 69 -0.784 7.291 5.145 1.00 0.00 C ATOM 1115 O ARG A 69 -0.127 8.060 5.852 1.00 0.00 O ATOM 1116 CB ARG A 69 -3.206 7.849 5.015 1.00 0.00 C ATOM 1117 CG ARG A 69 -4.177 8.920 4.546 1.00 0.00 C ATOM 1118 CD ARG A 69 -3.994 10.217 5.315 1.00 0.00 C ATOM 1119 NE ARG A 69 -2.675 10.816 5.099 1.00 0.00 N ATOM 1120 CZ ARG A 69 -2.095 11.668 5.947 1.00 0.00 C ATOM 1121 NH1 ARG A 69 -2.728 12.048 7.047 1.00 0.00 N ATOM 1122 NH2 ARG A 69 -0.886 12.145 5.687 1.00 0.00 N ATOM 0 H ARG A 69 -3.015 6.617 2.935 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.616 8.811 3.919 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.691 6.876 4.935 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.988 8.011 6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.030 9.104 3.482 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.200 8.564 4.670 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -4.765 10.926 5.014 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -4.133 10.027 6.379 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.169 10.567 4.249 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.661 11.689 7.248 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.282 12.699 7.693 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -0.397 11.861 4.838 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -0.444 12.796 6.336 1.00 0.00 H new ATOM 1136 N TYR A 70 -0.561 5.998 5.100 1.00 0.00 N ATOM 1137 CA TYR A 70 0.459 5.386 5.912 1.00 0.00 C ATOM 1138 C TYR A 70 1.829 5.760 5.381 1.00 0.00 C ATOM 1139 O TYR A 70 2.679 6.265 6.118 1.00 0.00 O ATOM 1140 CB TYR A 70 0.304 3.874 5.929 1.00 0.00 C ATOM 1141 CG TYR A 70 1.507 3.195 6.506 1.00 0.00 C ATOM 1142 CD1 TYR A 70 1.898 3.419 7.820 1.00 0.00 C ATOM 1143 CD2 TYR A 70 2.269 2.360 5.722 1.00 0.00 C ATOM 1144 CE1 TYR A 70 3.024 2.817 8.335 1.00 0.00 C ATOM 1145 CE2 TYR A 70 3.397 1.756 6.223 1.00 0.00 C ATOM 1146 CZ TYR A 70 3.773 1.988 7.533 1.00 0.00 C ATOM 1147 OH TYR A 70 4.905 1.393 8.041 1.00 0.00 O ATOM 0 H TYR A 70 -1.076 5.349 4.506 1.00 0.00 H new ATOM 0 HA TYR A 70 0.353 5.752 6.933 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.578 3.606 6.511 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.137 3.515 4.914 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.311 4.074 8.446 1.00 0.00 H new ATOM 0 HD2 TYR A 70 1.977 2.177 4.699 1.00 0.00 H new ATOM 0 HE1 TYR A 70 3.316 2.994 9.359 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.987 1.103 5.597 1.00 0.00 H new ATOM 0 HH TYR A 70 5.321 0.837 7.349 1.00 0.00 H new ATOM 1157 N VAL A 71 2.039 5.543 4.093 1.00 0.00 N ATOM 1158 CA VAL A 71 3.315 5.864 3.496 1.00 0.00 C ATOM 1159 C VAL A 71 3.564 7.356 3.612 1.00 0.00 C ATOM 1160 O VAL A 71 4.690 7.783 3.795 1.00 0.00 O ATOM 1161 CB VAL A 71 3.415 5.456 2.010 1.00 0.00 C ATOM 1162 CG1 VAL A 71 2.928 4.046 1.782 1.00 0.00 C ATOM 1163 CG2 VAL A 71 2.667 6.406 1.113 1.00 0.00 C ATOM 0 H VAL A 71 1.349 5.151 3.452 1.00 0.00 H new ATOM 0 HA VAL A 71 4.067 5.292 4.039 1.00 0.00 H new ATOM 0 HB VAL A 71 4.473 5.503 1.752 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.015 3.798 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.532 3.353 2.368 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.885 3.967 2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.764 6.081 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.614 6.417 1.393 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.081 7.409 1.219 1.00 0.00 H new ATOM 1173 N THR A 72 2.496 8.150 3.549 1.00 0.00 N ATOM 1174 CA THR A 72 2.643 9.593 3.570 1.00 0.00 C ATOM 1175 C THR A 72 3.194 10.066 4.906 1.00 0.00 C ATOM 1176 O THR A 72 3.789 11.136 4.994 1.00 0.00 O ATOM 1177 CB THR A 72 1.331 10.331 3.248 1.00 0.00 C ATOM 1178 OG1 THR A 72 0.322 10.047 4.220 1.00 0.00 O ATOM 1179 CG2 THR A 72 0.853 9.920 1.878 1.00 0.00 C ATOM 0 H THR A 72 1.534 7.818 3.484 1.00 0.00 H new ATOM 0 HA THR A 72 3.355 9.839 2.782 1.00 0.00 H new ATOM 0 HB THR A 72 1.523 11.404 3.270 1.00 0.00 H new ATOM 0 HG1 THR A 72 0.614 9.303 4.787 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.076 10.440 1.646 1.00 0.00 H new ATOM 0 HG22 THR A 72 1.609 10.178 1.136 1.00 0.00 H new ATOM 0 HG23 THR A 72 0.680 8.844 1.861 1.00 0.00 H new ATOM 1187 N SER A 73 3.014 9.250 5.939 1.00 0.00 N ATOM 1188 CA SER A 73 3.568 9.558 7.245 1.00 0.00 C ATOM 1189 C SER A 73 5.086 9.365 7.215 1.00 0.00 C ATOM 1190 O SER A 73 5.823 9.986 7.981 1.00 0.00 O ATOM 1191 CB SER A 73 2.922 8.673 8.319 1.00 0.00 C ATOM 1192 OG SER A 73 3.453 7.357 8.314 1.00 0.00 O ATOM 0 H SER A 73 2.491 8.375 5.894 1.00 0.00 H new ATOM 0 HA SER A 73 3.353 10.597 7.494 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.076 9.122 9.300 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.845 8.630 8.154 1.00 0.00 H new ATOM 0 HG SER A 73 3.540 7.043 7.390 1.00 0.00 H new ATOM 1198 N CYS A 74 5.538 8.511 6.301 1.00 0.00 N ATOM 1199 CA CYS A 74 6.963 8.227 6.139 1.00 0.00 C ATOM 1200 C CYS A 74 7.569 9.042 4.996 1.00 0.00 C ATOM 1201 O CYS A 74 8.764 9.328 4.990 1.00 0.00 O ATOM 1202 CB CYS A 74 7.185 6.727 5.891 1.00 0.00 C ATOM 1203 SG CYS A 74 8.890 6.286 5.488 1.00 0.00 S ATOM 0 H CYS A 74 4.934 8.000 5.657 1.00 0.00 H new ATOM 0 HA CYS A 74 7.465 8.515 7.063 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.879 6.174 6.779 1.00 0.00 H new ATOM 0 HB3 CYS A 74 6.536 6.405 5.076 1.00 0.00 H new ATOM 0 HG CYS A 74 9.537 7.350 5.117 1.00 0.00 H new ATOM 1209 N LEU A 75 6.738 9.401 4.028 1.00 0.00 N ATOM 1210 CA LEU A 75 7.200 10.055 2.814 1.00 0.00 C ATOM 1211 C LEU A 75 6.947 11.554 2.843 1.00 0.00 C ATOM 1212 O LEU A 75 7.864 12.357 2.698 1.00 0.00 O ATOM 1213 CB LEU A 75 6.475 9.443 1.617 1.00 0.00 C ATOM 1214 CG LEU A 75 6.513 7.924 1.547 1.00 0.00 C ATOM 1215 CD1 LEU A 75 5.985 7.458 0.212 1.00 0.00 C ATOM 1216 CD2 LEU A 75 7.925 7.408 1.775 1.00 0.00 C ATOM 0 H LEU A 75 5.730 9.248 4.062 1.00 0.00 H new ATOM 0 HA LEU A 75 8.276 9.903 2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.434 9.764 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.913 9.844 0.703 1.00 0.00 H new ATOM 0 HG LEU A 75 5.878 7.522 2.336 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.015 6.369 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 75 4.957 7.798 0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.601 7.870 -0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.928 6.319 1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.588 7.811 1.009 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.273 7.723 2.759 1.00 0.00 H new