USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 704 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 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl -170:sc=-0.00187 (180deg=-0.063) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc=-0.00292 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -131:sc= 0.356 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS :FLIP no HE2:sc= -3.51! C(o=-6!,f=-3.5!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN :FLIP amide:sc= -1.16 F(o=-1.7!,f=-1.2) USER MOD Single : A 57 THR OG1 : rot -50:sc= -0.159! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 13:sc= 0.972 USER MOD Single : A 69 LYS NZ :NH3+ 177:sc= -1.37 (180deg=-1.58) USER MOD Single : A 72 GLN : amide:sc= -0.387 K(o=-0.39,f=-0.92) USER MOD Single : A 75 HIS :FLIP no HE2:sc= -1.36 F(o=-3.9,f=-1.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS : no HD1:sc= -0.0068 X(o=-0.0068,f=-0.0043) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -93:sc= -0.417! USER MOD Single : A 92 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.15) USER MOD Single : A 99 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.2!) USER MOD Single : A 102 THR OG1 : rot -43:sc= 0.695 USER MOD ----------------------------------------------------------------- ATOM 91 N MET A 10 -6.936 -0.158 5.381 1.00 0.00 N ATOM 92 CA MET A 10 -5.773 0.407 6.043 1.00 0.00 C ATOM 93 C MET A 10 -5.812 1.936 6.011 1.00 0.00 C ATOM 94 O MET A 10 -6.145 2.531 4.986 1.00 0.00 O ATOM 95 CB MET A 10 -4.500 -0.086 5.351 1.00 0.00 C ATOM 96 CG MET A 10 -3.489 -0.612 6.372 1.00 0.00 C ATOM 97 SD MET A 10 -2.897 0.728 7.391 1.00 0.00 S ATOM 98 CE MET A 10 -1.812 -0.172 8.486 1.00 0.00 C ATOM 0 HA MET A 10 -5.779 0.084 7.084 1.00 0.00 H new ATOM 0 HB2 MET A 10 -4.750 -0.875 4.642 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.054 0.728 4.779 1.00 0.00 H new ATOM 0 HG2 MET A 10 -3.953 -1.376 6.995 1.00 0.00 H new ATOM 0 HG3 MET A 10 -2.653 -1.085 5.857 1.00 0.00 H new ATOM 0 HE1 MET A 10 -1.494 0.480 9.300 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.341 -1.032 8.896 1.00 0.00 H new ATOM 0 HE3 MET A 10 -0.938 -0.514 7.932 1.00 0.00 H new ATOM 108 N SER A 11 -5.467 2.530 7.144 1.00 0.00 N ATOM 109 CA SER A 11 -5.459 3.978 7.258 1.00 0.00 C ATOM 110 C SER A 11 -4.388 4.418 8.258 1.00 0.00 C ATOM 111 O SER A 11 -3.808 3.589 8.957 1.00 0.00 O ATOM 112 CB SER A 11 -6.831 4.505 7.684 1.00 0.00 C ATOM 113 OG SER A 11 -7.174 4.094 9.004 1.00 0.00 O ATOM 0 H SER A 11 -5.191 2.034 7.991 1.00 0.00 H new ATOM 0 HA SER A 11 -5.227 4.397 6.279 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.834 5.594 7.631 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.589 4.150 6.985 1.00 0.00 H new ATOM 0 HG SER A 11 -8.055 4.452 9.239 1.00 0.00 H new ATOM 119 N GLY A 12 -4.157 5.722 8.294 1.00 0.00 N ATOM 120 CA GLY A 12 -3.166 6.282 9.197 1.00 0.00 C ATOM 121 C GLY A 12 -2.176 7.171 8.441 1.00 0.00 C ATOM 122 O GLY A 12 -1.808 6.871 7.307 1.00 0.00 O ATOM 0 H GLY A 12 -4.639 6.407 7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.663 6.864 9.973 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.628 5.477 9.697 1.00 0.00 H new ATOM 126 N TYR A 13 -1.773 8.247 9.101 1.00 0.00 N ATOM 127 CA TYR A 13 -0.833 9.182 8.506 1.00 0.00 C ATOM 128 C TYR A 13 0.366 8.445 7.905 1.00 0.00 C ATOM 129 O TYR A 13 0.861 7.480 8.485 1.00 0.00 O ATOM 130 CB TYR A 13 -0.347 10.076 9.648 1.00 0.00 C ATOM 131 CG TYR A 13 -1.180 11.345 9.843 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.220 12.303 8.850 1.00 0.00 C ATOM 133 CD2 TYR A 13 -1.891 11.531 11.010 1.00 0.00 C ATOM 134 CE1 TYR A 13 -2.003 13.497 9.033 1.00 0.00 C ATOM 135 CE2 TYR A 13 -2.675 12.725 11.193 1.00 0.00 C ATOM 136 CZ TYR A 13 -2.693 13.649 10.196 1.00 0.00 C ATOM 137 OH TYR A 13 -3.433 14.777 10.369 1.00 0.00 O ATOM 0 H TYR A 13 -2.080 8.492 10.042 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.309 9.749 7.706 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.356 9.502 10.574 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.688 10.359 9.459 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.664 12.157 7.936 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.860 10.781 11.787 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.042 14.255 8.265 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.236 12.883 12.102 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.872 14.749 11.245 1.00 0.00 H new ATOM 147 N LEU A 14 0.798 8.929 6.749 1.00 0.00 N ATOM 148 CA LEU A 14 1.930 8.328 6.064 1.00 0.00 C ATOM 149 C LEU A 14 2.931 9.422 5.687 1.00 0.00 C ATOM 150 O LEU A 14 2.643 10.609 5.833 1.00 0.00 O ATOM 151 CB LEU A 14 1.453 7.494 4.873 1.00 0.00 C ATOM 152 CG LEU A 14 1.407 5.981 5.089 1.00 0.00 C ATOM 153 CD1 LEU A 14 0.726 5.279 3.913 1.00 0.00 C ATOM 154 CD2 LEU A 14 2.806 5.422 5.357 1.00 0.00 C ATOM 0 H LEU A 14 0.385 9.729 6.270 1.00 0.00 H new ATOM 0 HA LEU A 14 2.450 7.633 6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.455 7.832 4.595 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.107 7.700 4.025 1.00 0.00 H new ATOM 0 HG LEU A 14 0.805 5.782 5.976 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.707 4.204 4.093 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.294 5.648 3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.280 5.484 2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.745 4.344 5.507 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.452 5.633 4.505 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.220 5.890 6.250 1.00 0.00 H new ATOM 166 N TYR A 15 4.087 8.983 5.211 1.00 0.00 N ATOM 167 CA TYR A 15 5.133 9.910 4.813 1.00 0.00 C ATOM 168 C TYR A 15 5.584 9.643 3.375 1.00 0.00 C ATOM 169 O TYR A 15 6.294 8.674 3.113 1.00 0.00 O ATOM 170 CB TYR A 15 6.307 9.653 5.759 1.00 0.00 C ATOM 171 CG TYR A 15 5.966 9.838 7.239 1.00 0.00 C ATOM 172 CD1 TYR A 15 5.213 10.922 7.643 1.00 0.00 C ATOM 173 CD2 TYR A 15 6.412 8.922 8.170 1.00 0.00 C ATOM 174 CE1 TYR A 15 4.892 11.097 9.036 1.00 0.00 C ATOM 175 CE2 TYR A 15 6.091 9.097 9.563 1.00 0.00 C ATOM 176 CZ TYR A 15 5.347 10.176 9.927 1.00 0.00 C ATOM 177 OH TYR A 15 5.044 10.341 11.242 1.00 0.00 O ATOM 0 H TYR A 15 4.322 7.998 5.092 1.00 0.00 H new ATOM 0 HA TYR A 15 4.774 10.938 4.862 1.00 0.00 H new ATOM 0 HB2 TYR A 15 6.669 8.637 5.604 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.124 10.325 5.498 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.865 11.639 6.914 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.002 8.074 7.854 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.303 11.940 9.365 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.433 8.388 10.302 1.00 0.00 H new ATOM 0 HH TYR A 15 5.434 9.607 11.762 1.00 0.00 H new ATOM 187 N ARG A 16 5.152 10.521 2.481 1.00 0.00 N ATOM 188 CA ARG A 16 5.503 10.392 1.077 1.00 0.00 C ATOM 189 C ARG A 16 6.770 11.193 0.771 1.00 0.00 C ATOM 190 O ARG A 16 6.921 12.324 1.230 1.00 0.00 O ATOM 191 CB ARG A 16 4.367 10.886 0.179 1.00 0.00 C ATOM 192 CG ARG A 16 4.668 10.599 -1.294 1.00 0.00 C ATOM 193 CD ARG A 16 3.377 10.491 -2.107 1.00 0.00 C ATOM 194 NE ARG A 16 3.231 11.674 -2.985 1.00 0.00 N ATOM 195 CZ ARG A 16 2.143 11.933 -3.722 1.00 0.00 C ATOM 196 NH1 ARG A 16 1.098 11.094 -3.692 1.00 0.00 N ATOM 197 NH2 ARG A 16 2.099 13.031 -4.489 1.00 0.00 N ATOM 0 H ARG A 16 4.563 11.324 2.702 1.00 0.00 H new ATOM 0 HA ARG A 16 5.679 9.336 0.874 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.435 10.399 0.465 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.224 11.957 0.323 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.294 11.393 -1.702 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.234 9.671 -1.379 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.391 9.582 -2.708 1.00 0.00 H new ATOM 0 HD3 ARG A 16 2.521 10.417 -1.437 1.00 0.00 H new ATOM 0 HE ARG A 16 4.008 12.333 -3.032 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.131 10.258 -3.108 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.269 11.291 -4.253 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.894 13.670 -4.512 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.270 13.228 -5.050 1.00 0.00 H new ATOM 211 N SER A 17 7.650 10.574 -0.004 1.00 0.00 N ATOM 212 CA SER A 17 8.899 11.215 -0.376 1.00 0.00 C ATOM 213 C SER A 17 9.209 10.941 -1.850 1.00 0.00 C ATOM 214 O SER A 17 8.454 10.244 -2.527 1.00 0.00 O ATOM 215 CB SER A 17 10.051 10.731 0.506 1.00 0.00 C ATOM 216 OG SER A 17 11.244 11.480 0.286 1.00 0.00 O ATOM 0 H SER A 17 7.522 9.636 -0.384 1.00 0.00 H new ATOM 0 HA SER A 17 8.789 12.289 -0.227 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.762 10.809 1.554 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.243 9.677 0.306 1.00 0.00 H new ATOM 0 HG SER A 17 11.997 10.866 0.157 1.00 0.00 H new ATOM 222 N LYS A 18 10.319 11.504 -2.303 1.00 0.00 N ATOM 223 CA LYS A 18 10.737 11.329 -3.683 1.00 0.00 C ATOM 224 C LYS A 18 12.120 10.675 -3.714 1.00 0.00 C ATOM 225 O LYS A 18 12.872 10.849 -4.671 1.00 0.00 O ATOM 226 CB LYS A 18 10.670 12.659 -4.436 1.00 0.00 C ATOM 227 CG LYS A 18 9.287 12.869 -5.057 1.00 0.00 C ATOM 228 CD LYS A 18 9.398 13.190 -6.548 1.00 0.00 C ATOM 229 CE LYS A 18 8.439 14.317 -6.939 1.00 0.00 C ATOM 230 NZ LYS A 18 7.935 14.114 -8.316 1.00 0.00 N ATOM 0 H LYS A 18 10.942 12.082 -1.739 1.00 0.00 H new ATOM 0 HA LYS A 18 10.055 10.658 -4.205 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.894 13.479 -3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 18 11.430 12.677 -5.217 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.682 11.973 -4.919 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.774 13.682 -4.544 1.00 0.00 H new ATOM 0 HD2 LYS A 18 10.422 13.480 -6.786 1.00 0.00 H new ATOM 0 HD3 LYS A 18 9.175 12.298 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.603 14.350 -6.240 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.950 15.277 -6.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.286 14.887 -8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.735 14.105 -8.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.430 13.207 -8.371 1.00 0.00 H new ATOM 244 N GLY A 19 12.413 9.935 -2.654 1.00 0.00 N ATOM 245 CA GLY A 19 13.692 9.254 -2.548 1.00 0.00 C ATOM 246 C GLY A 19 14.130 9.135 -1.087 1.00 0.00 C ATOM 247 O GLY A 19 13.337 9.370 -0.176 1.00 0.00 O ATOM 0 H GLY A 19 11.787 9.792 -1.862 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.617 8.261 -2.991 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.447 9.800 -3.114 1.00 0.00 H new ATOM 251 N SER A 20 15.391 8.771 -0.908 1.00 0.00 N ATOM 252 CA SER A 20 15.945 8.619 0.427 1.00 0.00 C ATOM 253 C SER A 20 16.461 9.966 0.936 1.00 0.00 C ATOM 254 O SER A 20 16.174 10.357 2.067 1.00 0.00 O ATOM 255 CB SER A 20 17.068 7.580 0.442 1.00 0.00 C ATOM 256 OG SER A 20 16.578 6.268 0.710 1.00 0.00 O ATOM 0 H SER A 20 16.046 8.577 -1.666 1.00 0.00 H new ATOM 0 HA SER A 20 15.153 8.268 1.088 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.581 7.586 -0.520 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.805 7.853 1.197 1.00 0.00 H new ATOM 0 HG SER A 20 17.325 5.633 0.709 1.00 0.00 H new ATOM 262 N LYS A 21 17.212 10.639 0.078 1.00 0.00 N ATOM 263 CA LYS A 21 17.771 11.934 0.427 1.00 0.00 C ATOM 264 C LYS A 21 16.744 13.026 0.121 1.00 0.00 C ATOM 265 O LYS A 21 17.098 14.094 -0.377 1.00 0.00 O ATOM 266 CB LYS A 21 19.117 12.142 -0.270 1.00 0.00 C ATOM 267 CG LYS A 21 20.202 11.268 0.361 1.00 0.00 C ATOM 268 CD LYS A 21 21.513 12.043 0.510 1.00 0.00 C ATOM 269 CE LYS A 21 22.371 11.458 1.634 1.00 0.00 C ATOM 270 NZ LYS A 21 23.131 10.285 1.148 1.00 0.00 N ATOM 0 H LYS A 21 17.447 10.312 -0.859 1.00 0.00 H new ATOM 0 HA LYS A 21 17.981 11.984 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 21 19.023 11.903 -1.329 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.406 13.191 -0.205 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.869 10.918 1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 21 20.366 10.384 -0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 21 22.066 12.012 -0.429 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.298 13.091 0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 21 23.060 12.216 2.006 1.00 0.00 H new ATOM 0 HE3 LYS A 21 21.736 11.166 2.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 23.708 9.900 1.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 22.468 9.556 0.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 23.751 10.574 0.365 1.00 0.00 H new ATOM 284 N LYS A 22 15.493 12.722 0.431 1.00 0.00 N ATOM 285 CA LYS A 22 14.413 13.664 0.196 1.00 0.00 C ATOM 286 C LYS A 22 13.609 13.845 1.486 1.00 0.00 C ATOM 287 O LYS A 22 13.603 12.966 2.346 1.00 0.00 O ATOM 288 CB LYS A 22 13.566 13.222 -0.999 1.00 0.00 C ATOM 289 CG LYS A 22 14.295 13.492 -2.317 1.00 0.00 C ATOM 290 CD LYS A 22 13.653 14.659 -3.069 1.00 0.00 C ATOM 291 CE LYS A 22 14.076 14.664 -4.539 1.00 0.00 C ATOM 292 NZ LYS A 22 14.187 16.051 -5.043 1.00 0.00 N ATOM 0 H LYS A 22 15.203 11.835 0.843 1.00 0.00 H new ATOM 0 HA LYS A 22 14.813 14.642 -0.071 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.340 12.159 -0.916 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.614 13.752 -0.991 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.343 13.716 -2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 22 14.272 12.597 -2.939 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.568 14.588 -3.000 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.941 15.600 -2.601 1.00 0.00 H new ATOM 0 HE2 LYS A 22 15.033 14.153 -4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.349 14.112 -5.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.475 16.035 -6.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 13.266 16.527 -4.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 14.898 16.567 -4.486 1.00 0.00 H new ATOM 306 N PRO A 23 12.933 15.021 1.581 1.00 0.00 N ATOM 307 CA PRO A 23 12.128 15.328 2.751 1.00 0.00 C ATOM 308 C PRO A 23 10.819 14.536 2.739 1.00 0.00 C ATOM 309 O PRO A 23 10.242 14.300 1.679 1.00 0.00 O ATOM 310 CB PRO A 23 11.913 16.832 2.697 1.00 0.00 C ATOM 311 CG PRO A 23 12.206 17.243 1.264 1.00 0.00 C ATOM 312 CD PRO A 23 12.916 16.085 0.582 1.00 0.00 C ATOM 0 HA PRO A 23 12.615 15.042 3.683 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.892 17.091 2.977 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.575 17.346 3.394 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.282 17.486 0.740 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.828 18.138 1.243 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.389 15.773 -0.320 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.926 16.362 0.281 1.00 0.00 H new ATOM 320 N TRP A 24 10.388 14.148 3.931 1.00 0.00 N ATOM 321 CA TRP A 24 9.158 13.387 4.071 1.00 0.00 C ATOM 322 C TRP A 24 7.997 14.380 4.164 1.00 0.00 C ATOM 323 O TRP A 24 8.097 15.394 4.852 1.00 0.00 O ATOM 324 CB TRP A 24 9.232 12.440 5.270 1.00 0.00 C ATOM 325 CG TRP A 24 10.299 11.351 5.137 1.00 0.00 C ATOM 326 CD1 TRP A 24 11.533 11.337 5.658 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.175 10.110 4.411 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.211 10.182 5.323 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.358 9.412 4.540 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.097 9.593 3.669 1.00 0.00 C ATOM 331 CZ2 TRP A 24 11.578 8.159 3.956 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.333 8.340 3.091 1.00 0.00 C ATOM 333 CH2 TRP A 24 10.519 7.625 3.212 1.00 0.00 C ATOM 0 H TRP A 24 10.869 14.347 4.808 1.00 0.00 H new ATOM 0 HA TRP A 24 9.000 12.746 3.204 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.432 13.023 6.169 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.260 11.967 5.407 1.00 0.00 H new ATOM 0 HD1 TRP A 24 11.946 12.130 6.264 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.162 9.938 5.599 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.162 10.121 3.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.514 7.633 4.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 8.537 7.898 2.510 1.00 0.00 H new ATOM 0 HH2 TRP A 24 10.623 6.662 2.734 1.00 0.00 H new ATOM 344 N LYS A 25 6.922 14.052 3.463 1.00 0.00 N ATOM 345 CA LYS A 25 5.743 14.901 3.458 1.00 0.00 C ATOM 346 C LYS A 25 4.631 14.228 4.265 1.00 0.00 C ATOM 347 O LYS A 25 3.985 13.300 3.782 1.00 0.00 O ATOM 348 CB LYS A 25 5.339 15.248 2.024 1.00 0.00 C ATOM 349 CG LYS A 25 6.217 16.368 1.462 1.00 0.00 C ATOM 350 CD LYS A 25 5.598 16.970 0.199 1.00 0.00 C ATOM 351 CE LYS A 25 4.834 18.255 0.523 1.00 0.00 C ATOM 352 NZ LYS A 25 5.770 19.393 0.667 1.00 0.00 N ATOM 0 H LYS A 25 6.843 13.209 2.894 1.00 0.00 H new ATOM 0 HA LYS A 25 5.957 15.853 3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.425 14.363 1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.293 15.555 2.001 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.346 17.146 2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.209 15.978 1.234 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.381 17.182 -0.529 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.923 16.247 -0.260 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.114 18.466 -0.268 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.266 18.125 1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.235 20.257 0.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.440 19.196 1.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.293 19.527 -0.222 1.00 0.00 H new ATOM 366 N HIS A 26 4.443 14.722 5.480 1.00 0.00 N ATOM 367 CA HIS A 26 3.421 14.180 6.358 1.00 0.00 C ATOM 368 C HIS A 26 2.040 14.400 5.736 1.00 0.00 C ATOM 369 O HIS A 26 1.503 15.505 5.783 1.00 0.00 O ATOM 370 CB HIS A 26 3.540 14.775 7.762 1.00 0.00 C ATOM 371 CG HIS A 26 4.819 14.411 8.477 1.00 0.00 C ATOM 372 ND1 HIS A 26 5.901 13.694 8.058 1.00 0.00 N flip ATOM 373 CD2 HIS A 26 5.085 14.795 9.780 1.00 0.00 C flip ATOM 374 CE1 HIS A 26 6.781 13.644 9.050 1.00 0.00 C flip ATOM 375 NE2 HIS A 26 6.277 14.326 10.119 1.00 0.00 N flip ATOM 0 H HIS A 26 4.982 15.492 5.877 1.00 0.00 H new ATOM 0 HA HIS A 26 3.564 13.105 6.468 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.471 15.861 7.692 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.693 14.440 8.361 1.00 0.00 H new ATOM 0 HD1 HIS A 26 6.015 13.268 7.138 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.432 15.378 10.413 1.00 0.00 H new ATOM 0 HE1 HIS A 26 7.739 13.146 9.017 1.00 0.00 H new ATOM 383 N LEU A 27 1.506 13.329 5.167 1.00 0.00 N ATOM 384 CA LEU A 27 0.198 13.391 4.536 1.00 0.00 C ATOM 385 C LEU A 27 -0.665 12.235 5.046 1.00 0.00 C ATOM 386 O LEU A 27 -0.169 11.339 5.727 1.00 0.00 O ATOM 387 CB LEU A 27 0.339 13.429 3.013 1.00 0.00 C ATOM 388 CG LEU A 27 0.382 14.820 2.377 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.435 14.884 1.270 1.00 0.00 C ATOM 390 CD2 LEU A 27 -1.003 15.236 1.876 1.00 0.00 C ATOM 0 H LEU A 27 1.955 12.414 5.130 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.313 14.314 4.808 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.251 12.898 2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.494 12.878 2.577 1.00 0.00 H new ATOM 0 HG LEU A 27 0.677 15.537 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.445 15.883 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.417 14.661 1.688 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.195 14.154 0.497 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.945 16.228 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.350 14.521 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.702 15.255 2.712 1.00 0.00 H new ATOM 402 N TRP A 28 -1.941 12.293 4.696 1.00 0.00 N ATOM 403 CA TRP A 28 -2.878 11.262 5.109 1.00 0.00 C ATOM 404 C TRP A 28 -3.268 10.453 3.870 1.00 0.00 C ATOM 405 O TRP A 28 -3.453 11.015 2.791 1.00 0.00 O ATOM 406 CB TRP A 28 -4.082 11.871 5.829 1.00 0.00 C ATOM 407 CG TRP A 28 -5.054 10.837 6.402 1.00 0.00 C ATOM 408 CD1 TRP A 28 -6.103 10.266 5.795 1.00 0.00 C ATOM 409 CD2 TRP A 28 -5.023 10.271 7.729 1.00 0.00 C ATOM 410 NE1 TRP A 28 -6.748 9.377 6.630 1.00 0.00 N ATOM 411 CE2 TRP A 28 -6.070 9.381 7.844 1.00 0.00 C ATOM 412 CE3 TRP A 28 -4.139 10.505 8.797 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -6.332 8.651 9.010 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.414 9.768 9.956 1.00 0.00 C ATOM 415 CH2 TRP A 28 -5.465 8.868 10.087 1.00 0.00 C ATOM 0 H TRP A 28 -2.348 13.038 4.131 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.417 10.590 5.832 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.724 12.506 6.639 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.621 12.514 5.133 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.406 10.475 4.780 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.571 8.820 6.399 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.313 11.198 8.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.158 7.958 9.075 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.764 9.909 10.807 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.612 8.338 11.016 1.00 0.00 H new ATOM 426 N PHE A 29 -3.382 9.148 4.066 1.00 0.00 N ATOM 427 CA PHE A 29 -3.747 8.257 2.978 1.00 0.00 C ATOM 428 C PHE A 29 -4.697 7.159 3.463 1.00 0.00 C ATOM 429 O PHE A 29 -4.566 6.672 4.585 1.00 0.00 O ATOM 430 CB PHE A 29 -2.454 7.611 2.476 1.00 0.00 C ATOM 431 CG PHE A 29 -1.497 8.587 1.790 1.00 0.00 C ATOM 432 CD1 PHE A 29 -0.630 9.325 2.533 1.00 0.00 C ATOM 433 CD2 PHE A 29 -1.513 8.717 0.436 1.00 0.00 C ATOM 434 CE1 PHE A 29 0.259 10.231 1.896 1.00 0.00 C ATOM 435 CE2 PHE A 29 -0.624 9.623 -0.201 1.00 0.00 C ATOM 436 CZ PHE A 29 0.243 10.361 0.543 1.00 0.00 C ATOM 0 H PHE A 29 -3.228 8.686 4.962 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.254 8.817 2.192 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.941 7.147 3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.706 6.813 1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.617 9.222 3.608 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.202 8.131 -0.155 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.948 10.817 2.487 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.636 9.726 -1.276 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.919 11.050 0.059 1.00 0.00 H new ATOM 446 N VAL A 30 -5.631 6.803 2.594 1.00 0.00 N ATOM 447 CA VAL A 30 -6.602 5.772 2.920 1.00 0.00 C ATOM 448 C VAL A 30 -6.736 4.811 1.737 1.00 0.00 C ATOM 449 O VAL A 30 -6.721 5.237 0.582 1.00 0.00 O ATOM 450 CB VAL A 30 -7.931 6.414 3.322 1.00 0.00 C ATOM 451 CG1 VAL A 30 -9.074 5.399 3.249 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.840 7.037 4.717 1.00 0.00 C ATOM 0 H VAL A 30 -5.736 7.210 1.665 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.266 5.188 3.777 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.145 7.213 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -10.008 5.881 3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.162 5.023 2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.868 4.570 3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.798 7.486 4.978 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.591 6.265 5.445 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.066 7.804 4.723 1.00 0.00 H new ATOM 462 N ILE A 31 -6.864 3.534 2.064 1.00 0.00 N ATOM 463 CA ILE A 31 -7.000 2.510 1.043 1.00 0.00 C ATOM 464 C ILE A 31 -8.463 2.071 0.959 1.00 0.00 C ATOM 465 O ILE A 31 -8.875 1.136 1.643 1.00 0.00 O ATOM 466 CB ILE A 31 -6.027 1.358 1.305 1.00 0.00 C ATOM 467 CG1 ILE A 31 -4.584 1.786 1.029 1.00 0.00 C ATOM 468 CG2 ILE A 31 -6.420 0.115 0.505 1.00 0.00 C ATOM 469 CD1 ILE A 31 -3.603 0.670 1.393 1.00 0.00 C ATOM 0 H ILE A 31 -6.876 3.185 3.022 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.729 2.909 0.066 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.088 1.093 2.361 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.472 2.044 -0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.350 2.682 1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.712 -0.688 0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.422 -0.202 0.794 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.406 0.348 -0.560 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.585 0.999 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.700 0.431 2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.824 -0.217 0.799 1.00 0.00 H new ATOM 481 N LYS A 32 -9.209 2.767 0.113 1.00 0.00 N ATOM 482 CA LYS A 32 -10.618 2.462 -0.069 1.00 0.00 C ATOM 483 C LYS A 32 -10.756 1.226 -0.960 1.00 0.00 C ATOM 484 O LYS A 32 -10.638 1.320 -2.181 1.00 0.00 O ATOM 485 CB LYS A 32 -11.368 3.686 -0.596 1.00 0.00 C ATOM 486 CG LYS A 32 -12.731 3.290 -1.169 1.00 0.00 C ATOM 487 CD LYS A 32 -13.847 4.147 -0.569 1.00 0.00 C ATOM 488 CE LYS A 32 -14.076 5.410 -1.402 1.00 0.00 C ATOM 489 NZ LYS A 32 -15.501 5.529 -1.783 1.00 0.00 N ATOM 0 H LYS A 32 -8.864 3.541 -0.454 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.082 2.221 0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.504 4.408 0.209 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -10.774 4.177 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.721 3.406 -2.253 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.925 2.237 -0.962 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.769 3.567 -0.520 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.589 4.423 0.453 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.771 6.288 -0.833 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -13.455 5.379 -2.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.639 6.391 -2.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -15.781 4.699 -2.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.087 5.580 -0.925 1.00 0.00 H new ATOM 503 N ASN A 33 -11.003 0.095 -0.315 1.00 0.00 N ATOM 504 CA ASN A 33 -11.158 -1.158 -1.034 1.00 0.00 C ATOM 505 C ASN A 33 -9.846 -1.501 -1.742 1.00 0.00 C ATOM 506 O ASN A 33 -9.070 -2.322 -1.256 1.00 0.00 O ATOM 507 CB ASN A 33 -12.255 -1.052 -2.096 1.00 0.00 C ATOM 508 CG ASN A 33 -13.465 -1.910 -1.721 1.00 0.00 C ATOM 509 OD1 ASN A 33 -14.290 -1.541 -0.902 1.00 0.00 O ATOM 510 ND2 ASN A 33 -13.524 -3.072 -2.365 1.00 0.00 N ATOM 0 H ASN A 33 -11.100 0.020 0.698 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.428 -1.929 -0.313 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.562 -0.012 -2.205 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.863 -1.371 -3.062 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -14.294 -3.716 -2.185 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.799 -3.319 -3.039 1.00 0.00 H new ATOM 517 N LYS A 34 -9.638 -0.854 -2.880 1.00 0.00 N ATOM 518 CA LYS A 34 -8.433 -1.079 -3.660 1.00 0.00 C ATOM 519 C LYS A 34 -7.982 0.242 -4.287 1.00 0.00 C ATOM 520 O LYS A 34 -7.191 0.248 -5.228 1.00 0.00 O ATOM 521 CB LYS A 34 -8.657 -2.198 -4.679 1.00 0.00 C ATOM 522 CG LYS A 34 -8.461 -3.573 -4.035 1.00 0.00 C ATOM 523 CD LYS A 34 -8.611 -4.689 -5.071 1.00 0.00 C ATOM 524 CE LYS A 34 -7.911 -5.967 -4.604 1.00 0.00 C ATOM 525 NZ LYS A 34 -8.691 -7.160 -5.001 1.00 0.00 N ATOM 0 H LYS A 34 -10.284 -0.174 -3.280 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.621 -1.421 -3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.664 -2.125 -5.089 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.964 -2.080 -5.512 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.473 -3.627 -3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.190 -3.712 -3.237 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.668 -4.891 -5.243 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.189 -4.366 -6.023 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -6.911 -6.019 -5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.791 -5.948 -3.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.202 -8.018 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.636 -7.116 -4.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.784 -7.185 -6.037 1.00 0.00 H new ATOM 539 N VAL A 35 -8.505 1.329 -3.739 1.00 0.00 N ATOM 540 CA VAL A 35 -8.165 2.653 -4.232 1.00 0.00 C ATOM 541 C VAL A 35 -7.419 3.423 -3.141 1.00 0.00 C ATOM 542 O VAL A 35 -7.936 3.603 -2.039 1.00 0.00 O ATOM 543 CB VAL A 35 -9.427 3.371 -4.714 1.00 0.00 C ATOM 544 CG1 VAL A 35 -9.113 4.808 -5.136 1.00 0.00 C ATOM 545 CG2 VAL A 35 -10.096 2.599 -5.853 1.00 0.00 C ATOM 0 H VAL A 35 -9.162 1.320 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.499 2.581 -5.092 1.00 0.00 H new ATOM 0 HB VAL A 35 -10.128 3.412 -3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.027 5.296 -5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.703 5.355 -4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.385 4.798 -5.947 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.991 3.131 -6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.403 2.512 -6.690 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.372 1.604 -5.505 1.00 0.00 H new ATOM 555 N LEU A 36 -6.215 3.857 -3.486 1.00 0.00 N ATOM 556 CA LEU A 36 -5.393 4.604 -2.549 1.00 0.00 C ATOM 557 C LEU A 36 -5.674 6.099 -2.710 1.00 0.00 C ATOM 558 O LEU A 36 -5.088 6.756 -3.570 1.00 0.00 O ATOM 559 CB LEU A 36 -3.918 4.234 -2.718 1.00 0.00 C ATOM 560 CG LEU A 36 -2.927 5.013 -1.850 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.710 6.424 -2.398 1.00 0.00 C ATOM 562 CD2 LEU A 36 -3.375 5.029 -0.387 1.00 0.00 C ATOM 0 H LEU A 36 -5.790 3.706 -4.401 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.649 4.340 -1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.803 3.172 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.645 4.377 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.965 4.502 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.002 6.956 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.314 6.364 -3.412 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.659 6.959 -2.411 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.654 5.589 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.354 5.503 -0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.437 4.007 -0.014 1.00 0.00 H new ATOM 574 N TYR A 37 -6.570 6.595 -1.870 1.00 0.00 N ATOM 575 CA TYR A 37 -6.936 8.000 -1.908 1.00 0.00 C ATOM 576 C TYR A 37 -5.929 8.850 -1.131 1.00 0.00 C ATOM 577 O TYR A 37 -5.204 8.337 -0.280 1.00 0.00 O ATOM 578 CB TYR A 37 -8.302 8.099 -1.227 1.00 0.00 C ATOM 579 CG TYR A 37 -9.477 7.713 -2.128 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.898 6.400 -2.188 1.00 0.00 C ATOM 581 CD2 TYR A 37 -10.114 8.677 -2.882 1.00 0.00 C ATOM 582 CE1 TYR A 37 -11.003 6.037 -3.036 1.00 0.00 C ATOM 583 CE2 TYR A 37 -11.220 8.314 -3.731 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.609 7.011 -3.766 1.00 0.00 C ATOM 585 OH TYR A 37 -12.653 6.668 -4.567 1.00 0.00 O ATOM 0 H TYR A 37 -7.054 6.048 -1.158 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.954 8.364 -2.935 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.305 7.455 -0.347 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.448 9.120 -0.875 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.399 5.645 -1.599 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.783 9.704 -2.836 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.343 5.013 -3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.728 9.059 -4.326 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.988 7.466 -5.027 1.00 0.00 H new ATOM 595 N THR A 38 -5.916 10.136 -1.451 1.00 0.00 N ATOM 596 CA THR A 38 -5.010 11.062 -0.793 1.00 0.00 C ATOM 597 C THR A 38 -5.778 11.959 0.180 1.00 0.00 C ATOM 598 O THR A 38 -6.988 12.136 0.044 1.00 0.00 O ATOM 599 CB THR A 38 -4.262 11.841 -1.876 1.00 0.00 C ATOM 600 OG1 THR A 38 -3.320 10.904 -2.390 1.00 0.00 O ATOM 601 CG2 THR A 38 -3.396 12.962 -1.299 1.00 0.00 C ATOM 0 H THR A 38 -6.519 10.558 -2.157 1.00 0.00 H new ATOM 0 HA THR A 38 -4.275 10.533 -0.187 1.00 0.00 H new ATOM 0 HB THR A 38 -4.979 12.263 -2.580 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.792 11.326 -3.100 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.887 13.483 -2.110 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.026 13.665 -0.755 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.656 12.538 -0.620 1.00 0.00 H new ATOM 609 N TYR A 39 -5.044 12.501 1.140 1.00 0.00 N ATOM 610 CA TYR A 39 -5.640 13.375 2.135 1.00 0.00 C ATOM 611 C TYR A 39 -4.587 14.291 2.763 1.00 0.00 C ATOM 612 O TYR A 39 -3.415 14.238 2.395 1.00 0.00 O ATOM 613 CB TYR A 39 -6.209 12.456 3.218 1.00 0.00 C ATOM 614 CG TYR A 39 -7.515 11.764 2.823 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.718 12.424 2.970 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.491 10.479 2.320 1.00 0.00 C ATOM 617 CE1 TYR A 39 -9.947 11.773 2.598 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.720 9.827 1.948 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.888 10.507 2.106 1.00 0.00 C ATOM 620 OH TYR A 39 -11.049 9.892 1.755 1.00 0.00 O ATOM 0 H TYR A 39 -4.041 12.352 1.250 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.402 14.008 1.681 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.467 11.696 3.462 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.378 13.039 4.123 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.738 13.429 3.364 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.550 9.962 2.205 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.895 12.279 2.707 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.715 8.822 1.553 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.854 8.992 1.419 1.00 0.00 H new ATOM 630 N ALA A 40 -5.044 15.110 3.699 1.00 0.00 N ATOM 631 CA ALA A 40 -4.156 16.036 4.381 1.00 0.00 C ATOM 632 C ALA A 40 -4.259 15.816 5.892 1.00 0.00 C ATOM 633 O ALA A 40 -3.246 15.782 6.589 1.00 0.00 O ATOM 634 CB ALA A 40 -4.503 17.470 3.975 1.00 0.00 C ATOM 0 H ALA A 40 -6.017 15.152 4.001 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.120 15.857 4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.837 18.164 4.487 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.385 17.582 2.897 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.535 17.687 4.251 1.00 0.00 H new ATOM 640 N ALA A 41 -5.493 15.673 6.354 1.00 0.00 N ATOM 641 CA ALA A 41 -5.742 15.457 7.769 1.00 0.00 C ATOM 642 C ALA A 41 -6.404 14.092 7.964 1.00 0.00 C ATOM 643 O ALA A 41 -6.702 13.399 6.992 1.00 0.00 O ATOM 644 CB ALA A 41 -6.595 16.603 8.317 1.00 0.00 C ATOM 0 H ALA A 41 -6.331 15.703 5.773 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.806 15.451 8.327 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.782 16.442 9.379 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.067 17.547 8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.544 16.638 7.782 1.00 0.00 H new ATOM 688 N VAL A 45 -12.248 17.032 5.108 1.00 0.00 N ATOM 689 CA VAL A 45 -13.570 17.221 4.537 1.00 0.00 C ATOM 690 C VAL A 45 -13.704 16.363 3.277 1.00 0.00 C ATOM 691 O VAL A 45 -14.800 15.922 2.935 1.00 0.00 O ATOM 692 CB VAL A 45 -13.821 18.708 4.278 1.00 0.00 C ATOM 693 CG1 VAL A 45 -14.338 19.405 5.538 1.00 0.00 C ATOM 694 CG2 VAL A 45 -12.559 19.393 3.750 1.00 0.00 C ATOM 0 HA VAL A 45 -14.339 16.893 5.237 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.592 18.789 3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -14.508 20.461 5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -15.274 18.942 5.852 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -13.601 19.309 6.335 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -12.765 20.449 3.574 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -11.759 19.296 4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.253 18.922 2.816 1.00 0.00 H new ATOM 704 N ALA A 46 -12.573 16.153 2.620 1.00 0.00 N ATOM 705 CA ALA A 46 -12.550 15.356 1.406 1.00 0.00 C ATOM 706 C ALA A 46 -11.102 15.001 1.061 1.00 0.00 C ATOM 707 O ALA A 46 -10.169 15.602 1.592 1.00 0.00 O ATOM 708 CB ALA A 46 -13.247 16.121 0.279 1.00 0.00 C ATOM 0 H ALA A 46 -11.666 16.521 2.906 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.093 14.422 1.550 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.230 15.523 -0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.280 16.323 0.561 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.728 17.064 0.104 1.00 0.00 H new ATOM 714 N ALA A 47 -10.960 14.028 0.173 1.00 0.00 N ATOM 715 CA ALA A 47 -9.642 13.587 -0.249 1.00 0.00 C ATOM 716 C ALA A 47 -9.047 14.618 -1.211 1.00 0.00 C ATOM 717 O ALA A 47 -9.777 15.274 -1.952 1.00 0.00 O ATOM 718 CB ALA A 47 -9.746 12.196 -0.878 1.00 0.00 C ATOM 0 H ALA A 47 -11.736 13.533 -0.266 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.972 13.509 0.607 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.757 11.865 -1.195 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -10.146 11.495 -0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.409 12.236 -1.742 1.00 0.00 H new ATOM 724 N LEU A 48 -7.728 14.728 -1.168 1.00 0.00 N ATOM 725 CA LEU A 48 -7.027 15.668 -2.026 1.00 0.00 C ATOM 726 C LEU A 48 -6.960 15.103 -3.446 1.00 0.00 C ATOM 727 O LEU A 48 -7.094 15.843 -4.420 1.00 0.00 O ATOM 728 CB LEU A 48 -5.658 16.014 -1.437 1.00 0.00 C ATOM 729 CG LEU A 48 -5.659 16.537 0.001 1.00 0.00 C ATOM 730 CD1 LEU A 48 -4.239 16.594 0.565 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.367 17.891 0.091 1.00 0.00 C ATOM 0 H LEU A 48 -7.126 14.182 -0.552 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.571 16.611 -2.082 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.031 15.123 -1.478 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.189 16.763 -2.075 1.00 0.00 H new ATOM 0 HG LEU A 48 -6.222 15.837 0.619 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.269 16.969 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.804 15.595 0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.631 17.259 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.354 18.241 1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.853 18.613 -0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.399 17.785 -0.243 1.00 0.00 H new ATOM 743 N GLU A 49 -6.753 13.796 -3.520 1.00 0.00 N ATOM 744 CA GLU A 49 -6.666 13.124 -4.805 1.00 0.00 C ATOM 745 C GLU A 49 -7.098 11.662 -4.669 1.00 0.00 C ATOM 746 O GLU A 49 -7.286 11.167 -3.559 1.00 0.00 O ATOM 747 CB GLU A 49 -5.254 13.226 -5.384 1.00 0.00 C ATOM 748 CG GLU A 49 -5.009 14.609 -5.992 1.00 0.00 C ATOM 749 CD GLU A 49 -6.029 14.913 -7.091 1.00 0.00 C ATOM 750 OE1 GLU A 49 -5.893 14.305 -8.174 1.00 0.00 O ATOM 751 OE2 GLU A 49 -6.921 15.747 -6.823 1.00 0.00 O ATOM 0 H GLU A 49 -6.643 13.185 -2.711 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.344 13.621 -5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.521 13.034 -4.600 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -5.113 12.460 -6.146 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.071 15.369 -5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.001 14.656 -6.404 1.00 0.00 H new ATOM 758 N SER A 50 -7.244 11.012 -5.815 1.00 0.00 N ATOM 759 CA SER A 50 -7.650 9.618 -5.838 1.00 0.00 C ATOM 760 C SER A 50 -6.850 8.857 -6.897 1.00 0.00 C ATOM 761 O SER A 50 -6.754 9.297 -8.042 1.00 0.00 O ATOM 762 CB SER A 50 -9.150 9.485 -6.108 1.00 0.00 C ATOM 763 OG SER A 50 -9.672 10.623 -6.789 1.00 0.00 O ATOM 0 H SER A 50 -7.088 11.426 -6.734 1.00 0.00 H new ATOM 0 HA SER A 50 -7.446 9.186 -4.858 1.00 0.00 H new ATOM 0 HB2 SER A 50 -9.333 8.590 -6.703 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.678 9.354 -5.164 1.00 0.00 H new ATOM 0 HG SER A 50 -10.632 10.499 -6.945 1.00 0.00 H new ATOM 769 N GLN A 51 -6.298 7.728 -6.478 1.00 0.00 N ATOM 770 CA GLN A 51 -5.510 6.902 -7.377 1.00 0.00 C ATOM 771 C GLN A 51 -5.614 5.430 -6.973 1.00 0.00 C ATOM 772 O GLN A 51 -5.307 5.071 -5.838 1.00 0.00 O ATOM 773 CB GLN A 51 -4.051 7.361 -7.406 1.00 0.00 C ATOM 774 CG GLN A 51 -3.320 6.789 -8.623 1.00 0.00 C ATOM 775 CD GLN A 51 -3.774 7.481 -9.910 1.00 0.00 C ATOM 776 OE1 GLN A 51 -4.005 6.648 -10.920 1.00 0.00 O flip ATOM 777 NE2 GLN A 51 -3.905 8.692 -9.981 1.00 0.00 N flip ATOM 0 H GLN A 51 -6.381 7.366 -5.528 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.911 7.011 -8.385 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.009 8.450 -7.431 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.548 7.043 -6.493 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.245 6.915 -8.498 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -3.509 5.718 -8.695 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.711 9.275 -9.167 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.209 9.122 -10.855 1.00 0.00 H new ATOM 786 N PRO A 52 -6.059 4.595 -7.951 1.00 0.00 N ATOM 787 CA PRO A 52 -6.207 3.170 -7.708 1.00 0.00 C ATOM 788 C PRO A 52 -4.845 2.474 -7.686 1.00 0.00 C ATOM 789 O PRO A 52 -3.880 2.971 -8.264 1.00 0.00 O ATOM 790 CB PRO A 52 -7.111 2.673 -8.825 1.00 0.00 C ATOM 791 CG PRO A 52 -7.057 3.737 -9.909 1.00 0.00 C ATOM 792 CD PRO A 52 -6.432 4.985 -9.307 1.00 0.00 C ATOM 0 HA PRO A 52 -6.644 2.952 -6.733 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.769 1.710 -9.205 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.131 2.531 -8.468 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.469 3.387 -10.758 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.058 3.953 -10.282 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.563 5.308 -9.879 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.136 5.817 -9.300 1.00 0.00 H new ATOM 800 N LEU A 53 -4.811 1.333 -7.013 1.00 0.00 N ATOM 801 CA LEU A 53 -3.583 0.563 -6.908 1.00 0.00 C ATOM 802 C LEU A 53 -3.588 -0.542 -7.966 1.00 0.00 C ATOM 803 O LEU A 53 -3.011 -1.609 -7.757 1.00 0.00 O ATOM 804 CB LEU A 53 -3.396 0.046 -5.480 1.00 0.00 C ATOM 805 CG LEU A 53 -3.567 1.080 -4.365 1.00 0.00 C ATOM 806 CD1 LEU A 53 -4.128 0.431 -3.098 1.00 0.00 C ATOM 807 CD2 LEU A 53 -2.255 1.821 -4.097 1.00 0.00 C ATOM 0 H LEU A 53 -5.614 0.923 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.718 1.195 -7.110 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.108 -0.762 -5.311 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.398 -0.385 -5.399 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.293 1.822 -4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.240 1.187 -2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.100 -0.012 -3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.444 -0.345 -2.753 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.405 2.550 -3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.489 1.107 -3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.936 2.335 -5.004 1.00 0.00 H new ATOM 819 N LEU A 54 -4.244 -0.250 -9.078 1.00 0.00 N ATOM 820 CA LEU A 54 -4.331 -1.205 -10.169 1.00 0.00 C ATOM 821 C LEU A 54 -3.132 -1.019 -11.101 1.00 0.00 C ATOM 822 O LEU A 54 -2.905 0.075 -11.616 1.00 0.00 O ATOM 823 CB LEU A 54 -5.683 -1.090 -10.877 1.00 0.00 C ATOM 824 CG LEU A 54 -6.021 -2.208 -11.865 1.00 0.00 C ATOM 825 CD1 LEU A 54 -7.520 -2.237 -12.169 1.00 0.00 C ATOM 826 CD2 LEU A 54 -5.180 -2.088 -13.137 1.00 0.00 C ATOM 0 H LEU A 54 -4.721 0.635 -9.248 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.283 -2.224 -9.786 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.465 -1.053 -10.119 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.711 -0.140 -11.411 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.769 -3.162 -11.401 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.733 -3.041 -12.874 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -8.075 -2.407 -11.246 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -7.822 -1.284 -12.604 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.440 -2.895 -13.822 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.377 -1.128 -13.615 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.122 -2.155 -12.882 1.00 0.00 H new ATOM 838 N GLY A 55 -2.396 -2.105 -11.290 1.00 0.00 N ATOM 839 CA GLY A 55 -1.226 -2.075 -12.151 1.00 0.00 C ATOM 840 C GLY A 55 0.026 -1.688 -11.361 1.00 0.00 C ATOM 841 O GLY A 55 1.136 -2.080 -11.719 1.00 0.00 O ATOM 0 H GLY A 55 -2.587 -3.011 -10.862 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.083 -3.053 -12.610 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.384 -1.363 -12.961 1.00 0.00 H new ATOM 845 N PHE A 56 -0.194 -0.924 -10.301 1.00 0.00 N ATOM 846 CA PHE A 56 0.903 -0.480 -9.458 1.00 0.00 C ATOM 847 C PHE A 56 1.547 -1.661 -8.729 1.00 0.00 C ATOM 848 O PHE A 56 1.151 -2.809 -8.928 1.00 0.00 O ATOM 849 CB PHE A 56 0.311 0.481 -8.424 1.00 0.00 C ATOM 850 CG PHE A 56 0.120 1.908 -8.940 1.00 0.00 C ATOM 851 CD1 PHE A 56 -1.009 2.239 -9.623 1.00 0.00 C ATOM 852 CD2 PHE A 56 1.078 2.847 -8.716 1.00 0.00 C ATOM 853 CE1 PHE A 56 -1.187 3.564 -10.101 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.901 4.172 -9.194 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.228 4.502 -9.877 1.00 0.00 C ATOM 0 H PHE A 56 -1.116 -0.601 -10.007 1.00 0.00 H new ATOM 0 HA PHE A 56 1.670 -0.001 -10.067 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.652 0.093 -8.092 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.963 0.505 -7.551 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.770 1.494 -9.802 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.974 2.584 -8.174 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.084 3.827 -10.642 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.662 4.917 -9.015 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.363 5.510 -10.242 1.00 0.00 H new ATOM 865 N THR A 57 2.528 -1.339 -7.899 1.00 0.00 N ATOM 866 CA THR A 57 3.231 -2.359 -7.139 1.00 0.00 C ATOM 867 C THR A 57 3.823 -1.760 -5.862 1.00 0.00 C ATOM 868 O THR A 57 3.811 -0.543 -5.680 1.00 0.00 O ATOM 869 CB THR A 57 4.278 -2.994 -8.056 1.00 0.00 C ATOM 870 OG1 THR A 57 3.593 -3.176 -9.292 1.00 0.00 O ATOM 871 CG2 THR A 57 4.651 -4.414 -7.624 1.00 0.00 C ATOM 0 H THR A 57 2.853 -0.386 -7.736 1.00 0.00 H new ATOM 0 HA THR A 57 2.551 -3.144 -6.806 1.00 0.00 H new ATOM 0 HB THR A 57 5.173 -2.372 -8.070 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.738 -3.626 -9.129 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.397 -4.818 -8.308 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.059 -4.391 -6.614 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.762 -5.045 -7.642 1.00 0.00 H new ATOM 879 N VAL A 58 4.328 -2.641 -5.012 1.00 0.00 N ATOM 880 CA VAL A 58 4.925 -2.214 -3.757 1.00 0.00 C ATOM 881 C VAL A 58 6.071 -3.161 -3.395 1.00 0.00 C ATOM 882 O VAL A 58 6.072 -4.323 -3.797 1.00 0.00 O ATOM 883 CB VAL A 58 3.852 -2.130 -2.670 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.305 -2.846 -1.396 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.480 -0.675 -2.378 1.00 0.00 C ATOM 0 H VAL A 58 4.336 -3.649 -5.167 1.00 0.00 H new ATOM 0 HA VAL A 58 5.348 -1.214 -3.855 1.00 0.00 H new ATOM 0 HB VAL A 58 2.960 -2.636 -3.040 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.524 -2.771 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.497 -3.896 -1.617 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.218 -2.382 -1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.715 -0.644 -1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.364 -0.135 -2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.095 -0.209 -3.285 1.00 0.00 H new ATOM 895 N THR A 59 7.019 -2.628 -2.638 1.00 0.00 N ATOM 896 CA THR A 59 8.168 -3.410 -2.217 1.00 0.00 C ATOM 897 C THR A 59 8.830 -2.770 -0.995 1.00 0.00 C ATOM 898 O THR A 59 8.812 -1.549 -0.843 1.00 0.00 O ATOM 899 CB THR A 59 9.110 -3.550 -3.414 1.00 0.00 C ATOM 900 OG1 THR A 59 9.883 -4.710 -3.114 1.00 0.00 O ATOM 901 CG2 THR A 59 10.141 -2.422 -3.483 1.00 0.00 C ATOM 0 H THR A 59 7.014 -1.664 -2.306 1.00 0.00 H new ATOM 0 HA THR A 59 7.871 -4.410 -1.901 1.00 0.00 H new ATOM 0 HB THR A 59 8.527 -3.565 -4.335 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.520 -4.875 -3.840 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.784 -2.570 -4.351 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.627 -1.465 -3.571 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.747 -2.427 -2.577 1.00 0.00 H new ATOM 909 N LEU A 60 9.399 -3.622 -0.155 1.00 0.00 N ATOM 910 CA LEU A 60 10.066 -3.155 1.048 1.00 0.00 C ATOM 911 C LEU A 60 11.532 -2.853 0.730 1.00 0.00 C ATOM 912 O LEU A 60 12.186 -3.615 0.020 1.00 0.00 O ATOM 913 CB LEU A 60 9.878 -4.158 2.189 1.00 0.00 C ATOM 914 CG LEU A 60 10.802 -3.982 3.395 1.00 0.00 C ATOM 915 CD1 LEU A 60 12.145 -4.677 3.163 1.00 0.00 C ATOM 916 CD2 LEU A 60 10.975 -2.502 3.743 1.00 0.00 C ATOM 0 H LEU A 60 9.412 -4.634 -0.284 1.00 0.00 H new ATOM 0 HA LEU A 60 9.617 -2.224 1.395 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.846 -4.096 2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.021 -5.162 1.791 1.00 0.00 H new ATOM 0 HG LEU A 60 10.335 -4.462 4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.783 -4.536 4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 60 11.980 -5.742 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.630 -4.248 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.637 -2.406 4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.408 -1.976 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.004 -2.068 3.981 1.00 0.00 H new ATOM 928 N VAL A 61 12.004 -1.740 1.270 1.00 0.00 N ATOM 929 CA VAL A 61 13.381 -1.328 1.053 1.00 0.00 C ATOM 930 C VAL A 61 14.102 -1.242 2.399 1.00 0.00 C ATOM 931 O VAL A 61 13.600 -0.625 3.338 1.00 0.00 O ATOM 932 CB VAL A 61 13.416 -0.013 0.271 1.00 0.00 C ATOM 933 CG1 VAL A 61 12.192 0.848 0.589 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.712 0.753 0.544 1.00 0.00 C ATOM 0 H VAL A 61 11.458 -1.110 1.858 1.00 0.00 H new ATOM 0 HA VAL A 61 13.909 -2.065 0.448 1.00 0.00 H new ATOM 0 HB VAL A 61 13.387 -0.255 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.242 1.776 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.286 0.306 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 61 12.175 1.076 1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.711 1.683 -0.024 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.785 0.977 1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.565 0.145 0.242 1.00 0.00 H new ATOM 1033 N SER A 68 13.973 -2.240 7.845 1.00 0.00 N ATOM 1034 CA SER A 68 12.671 -2.710 7.403 1.00 0.00 C ATOM 1035 C SER A 68 11.564 -1.922 8.106 1.00 0.00 C ATOM 1036 O SER A 68 11.353 -2.078 9.308 1.00 0.00 O ATOM 1037 CB SER A 68 12.507 -4.208 7.669 1.00 0.00 C ATOM 1038 OG SER A 68 12.340 -4.489 9.056 1.00 0.00 O ATOM 0 HA SER A 68 12.596 -2.549 6.328 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.645 -4.582 7.117 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.381 -4.741 7.294 1.00 0.00 H new ATOM 0 HG SER A 68 12.165 -3.655 9.540 1.00 0.00 H new ATOM 1044 N LYS A 69 10.885 -1.093 7.327 1.00 0.00 N ATOM 1045 CA LYS A 69 9.805 -0.280 7.860 1.00 0.00 C ATOM 1046 C LYS A 69 9.291 0.658 6.766 1.00 0.00 C ATOM 1047 O LYS A 69 8.095 0.937 6.695 1.00 0.00 O ATOM 1048 CB LYS A 69 10.256 0.445 9.130 1.00 0.00 C ATOM 1049 CG LYS A 69 9.566 1.804 9.260 1.00 0.00 C ATOM 1050 CD LYS A 69 9.911 2.469 10.594 1.00 0.00 C ATOM 1051 CE LYS A 69 10.592 3.821 10.372 1.00 0.00 C ATOM 1052 NZ LYS A 69 10.230 4.767 11.451 1.00 0.00 N ATOM 0 H LYS A 69 11.062 -0.967 6.330 1.00 0.00 H new ATOM 0 HA LYS A 69 8.967 -0.909 8.161 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.029 -0.167 10.003 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.337 0.583 9.110 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.871 2.451 8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 69 8.486 1.677 9.182 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.003 2.607 11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.568 1.817 11.170 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.674 3.690 10.343 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.295 4.230 9.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.740 5.663 11.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.206 4.945 11.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.489 4.359 12.372 1.00 0.00 H new ATOM 1066 N VAL A 70 10.219 1.119 5.941 1.00 0.00 N ATOM 1067 CA VAL A 70 9.875 2.019 4.854 1.00 0.00 C ATOM 1068 C VAL A 70 9.794 1.228 3.548 1.00 0.00 C ATOM 1069 O VAL A 70 10.575 0.303 3.329 1.00 0.00 O ATOM 1070 CB VAL A 70 10.877 3.174 4.794 1.00 0.00 C ATOM 1071 CG1 VAL A 70 12.313 2.660 4.921 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.698 3.988 3.511 1.00 0.00 C ATOM 0 H VAL A 70 11.210 0.886 6.004 1.00 0.00 H new ATOM 0 HA VAL A 70 8.895 2.465 5.023 1.00 0.00 H new ATOM 0 HB VAL A 70 10.681 3.833 5.640 1.00 0.00 H new ATOM 0 HG11 VAL A 70 13.006 3.500 4.875 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.432 2.143 5.873 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.526 1.970 4.105 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.422 4.803 3.493 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.855 3.343 2.646 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.689 4.399 3.478 1.00 0.00 H new ATOM 1082 N PHE A 71 8.843 1.620 2.713 1.00 0.00 N ATOM 1083 CA PHE A 71 8.651 0.958 1.434 1.00 0.00 C ATOM 1084 C PHE A 71 8.537 1.979 0.300 1.00 0.00 C ATOM 1085 O PHE A 71 8.570 3.185 0.540 1.00 0.00 O ATOM 1086 CB PHE A 71 7.342 0.172 1.529 1.00 0.00 C ATOM 1087 CG PHE A 71 6.209 0.931 2.222 1.00 0.00 C ATOM 1088 CD1 PHE A 71 6.295 1.219 3.548 1.00 0.00 C ATOM 1089 CD2 PHE A 71 5.115 1.318 1.512 1.00 0.00 C ATOM 1090 CE1 PHE A 71 5.244 1.924 4.192 1.00 0.00 C ATOM 1091 CE2 PHE A 71 4.064 2.022 2.156 1.00 0.00 C ATOM 1092 CZ PHE A 71 4.150 2.311 3.482 1.00 0.00 C ATOM 0 H PHE A 71 8.197 2.388 2.897 1.00 0.00 H new ATOM 0 HA PHE A 71 9.501 0.310 1.220 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.021 -0.101 0.524 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.526 -0.757 2.069 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.163 0.911 4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 71 5.046 1.090 0.459 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.313 2.153 5.245 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.195 2.328 1.592 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.350 2.847 3.971 1.00 0.00 H new ATOM 1102 N GLN A 72 8.406 1.459 -0.911 1.00 0.00 N ATOM 1103 CA GLN A 72 8.287 2.310 -2.083 1.00 0.00 C ATOM 1104 C GLN A 72 7.087 1.882 -2.931 1.00 0.00 C ATOM 1105 O GLN A 72 6.760 0.698 -2.996 1.00 0.00 O ATOM 1106 CB GLN A 72 9.575 2.291 -2.907 1.00 0.00 C ATOM 1107 CG GLN A 72 10.667 3.129 -2.238 1.00 0.00 C ATOM 1108 CD GLN A 72 11.959 3.102 -3.058 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.533 4.125 -3.392 1.00 0.00 O ATOM 1110 NE2 GLN A 72 12.381 1.879 -3.363 1.00 0.00 N ATOM 0 H GLN A 72 8.380 0.458 -1.106 1.00 0.00 H new ATOM 0 HA GLN A 72 8.123 3.334 -1.749 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.921 1.264 -3.024 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.377 2.677 -3.907 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.324 4.158 -2.127 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.860 2.747 -1.235 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.852 1.064 -3.051 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.234 1.755 -3.909 1.00 0.00 H new ATOM 1119 N LEU A 73 6.464 2.869 -3.558 1.00 0.00 N ATOM 1120 CA LEU A 73 5.308 2.609 -4.399 1.00 0.00 C ATOM 1121 C LEU A 73 5.765 2.438 -5.849 1.00 0.00 C ATOM 1122 O LEU A 73 5.998 3.421 -6.551 1.00 0.00 O ATOM 1123 CB LEU A 73 4.254 3.702 -4.212 1.00 0.00 C ATOM 1124 CG LEU A 73 3.015 3.598 -5.103 1.00 0.00 C ATOM 1125 CD1 LEU A 73 2.345 2.230 -4.954 1.00 0.00 C ATOM 1126 CD2 LEU A 73 2.042 4.746 -4.826 1.00 0.00 C ATOM 0 H LEU A 73 6.738 3.850 -3.500 1.00 0.00 H new ATOM 0 HA LEU A 73 4.825 1.677 -4.105 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.930 3.693 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.726 4.668 -4.391 1.00 0.00 H new ATOM 0 HG LEU A 73 3.333 3.689 -6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.467 2.183 -5.598 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.048 1.448 -5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 73 2.042 2.084 -3.917 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.170 4.648 -5.473 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.726 4.712 -3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.536 5.697 -5.024 1.00 0.00 H new ATOM 1138 N LEU A 74 5.881 1.182 -6.255 1.00 0.00 N ATOM 1139 CA LEU A 74 6.306 0.869 -7.608 1.00 0.00 C ATOM 1140 C LEU A 74 5.104 0.962 -8.550 1.00 0.00 C ATOM 1141 O LEU A 74 3.976 0.679 -8.152 1.00 0.00 O ATOM 1142 CB LEU A 74 7.015 -0.486 -7.648 1.00 0.00 C ATOM 1143 CG LEU A 74 8.482 -0.489 -7.211 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.736 -1.561 -6.150 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.413 -0.642 -8.415 1.00 0.00 C ATOM 0 H LEU A 74 5.688 0.369 -5.670 1.00 0.00 H new ATOM 0 HA LEU A 74 7.040 1.597 -7.954 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.466 -1.180 -7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.959 -0.873 -8.665 1.00 0.00 H new ATOM 0 HG LEU A 74 8.704 0.475 -6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.786 -1.542 -5.857 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.112 -1.365 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.491 -2.542 -6.558 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.449 -0.641 -8.076 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.198 -1.582 -8.924 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.256 0.188 -9.104 1.00 0.00 H new ATOM 1157 N HIS A 75 5.387 1.359 -9.782 1.00 0.00 N ATOM 1158 CA HIS A 75 4.343 1.492 -10.784 1.00 0.00 C ATOM 1159 C HIS A 75 4.833 0.919 -12.115 1.00 0.00 C ATOM 1160 O HIS A 75 5.683 1.514 -12.776 1.00 0.00 O ATOM 1161 CB HIS A 75 3.883 2.947 -10.898 1.00 0.00 C ATOM 1162 CG HIS A 75 3.053 3.233 -12.127 1.00 0.00 C ATOM 1163 ND1 HIS A 75 1.703 3.348 -12.284 1.00 0.00 N flip ATOM 1164 CD2 HIS A 75 3.610 3.436 -13.378 1.00 0.00 C flip ATOM 1165 CE1 HIS A 75 1.450 3.608 -13.561 1.00 0.00 C flip ATOM 1166 NE2 HIS A 75 2.631 3.663 -14.240 1.00 0.00 N flip ATOM 0 H HIS A 75 6.324 1.593 -10.109 1.00 0.00 H new ATOM 0 HA HIS A 75 3.468 0.917 -10.482 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.303 3.205 -10.012 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.759 3.595 -10.905 1.00 0.00 H new ATOM 0 HD1 HIS A 75 1.006 3.251 -11.546 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.664 3.413 -13.611 1.00 0.00 H new ATOM 0 HE1 HIS A 75 0.470 3.752 -13.991 1.00 0.00 H new ATOM 1174 N LYS A 76 4.277 -0.230 -12.469 1.00 0.00 N ATOM 1175 CA LYS A 76 4.646 -0.890 -13.709 1.00 0.00 C ATOM 1176 C LYS A 76 6.090 -1.387 -13.607 1.00 0.00 C ATOM 1177 O LYS A 76 6.673 -1.818 -14.601 1.00 0.00 O ATOM 1178 CB LYS A 76 4.397 0.034 -14.903 1.00 0.00 C ATOM 1179 CG LYS A 76 2.956 -0.091 -15.402 1.00 0.00 C ATOM 1180 CD LYS A 76 2.535 1.157 -16.180 1.00 0.00 C ATOM 1181 CE LYS A 76 2.563 0.899 -17.688 1.00 0.00 C ATOM 1182 NZ LYS A 76 3.029 2.103 -18.412 1.00 0.00 N ATOM 0 H LYS A 76 3.573 -0.721 -11.918 1.00 0.00 H new ATOM 0 HA LYS A 76 4.018 -1.765 -13.876 1.00 0.00 H new ATOM 0 HB2 LYS A 76 4.598 1.066 -14.617 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.088 -0.214 -15.709 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.863 -0.970 -16.040 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.286 -0.239 -14.555 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.532 1.457 -15.877 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.202 1.984 -15.937 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.222 0.058 -17.907 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.567 0.622 -18.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.042 1.910 -19.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.385 2.896 -18.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.988 2.350 -18.094 1.00 0.00 H new ATOM 1196 N GLY A 77 6.624 -1.311 -12.397 1.00 0.00 N ATOM 1197 CA GLY A 77 7.988 -1.748 -12.152 1.00 0.00 C ATOM 1198 C GLY A 77 8.876 -0.570 -11.745 1.00 0.00 C ATOM 1199 O GLY A 77 9.895 -0.757 -11.082 1.00 0.00 O ATOM 0 H GLY A 77 6.137 -0.953 -11.575 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.996 -2.503 -11.366 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.390 -2.218 -13.050 1.00 0.00 H new ATOM 1203 N MET A 78 8.456 0.617 -12.158 1.00 0.00 N ATOM 1204 CA MET A 78 9.201 1.824 -11.845 1.00 0.00 C ATOM 1205 C MET A 78 8.679 2.472 -10.560 1.00 0.00 C ATOM 1206 O MET A 78 7.470 2.597 -10.370 1.00 0.00 O ATOM 1207 CB MET A 78 9.077 2.816 -13.003 1.00 0.00 C ATOM 1208 CG MET A 78 10.237 2.656 -13.988 1.00 0.00 C ATOM 1209 SD MET A 78 11.058 4.224 -14.223 1.00 0.00 S ATOM 1210 CE MET A 78 10.793 4.454 -15.973 1.00 0.00 C ATOM 0 H MET A 78 7.609 0.768 -12.707 1.00 0.00 H new ATOM 0 HA MET A 78 10.247 1.555 -11.696 1.00 0.00 H new ATOM 0 HB2 MET A 78 8.131 2.659 -13.521 1.00 0.00 H new ATOM 0 HB3 MET A 78 9.063 3.834 -12.614 1.00 0.00 H new ATOM 0 HG2 MET A 78 10.945 1.918 -13.612 1.00 0.00 H new ATOM 0 HG3 MET A 78 9.866 2.284 -14.943 1.00 0.00 H new ATOM 0 HE1 MET A 78 11.246 5.394 -16.289 1.00 0.00 H new ATOM 0 HE2 MET A 78 11.248 3.629 -16.521 1.00 0.00 H new ATOM 0 HE3 MET A 78 9.723 4.480 -16.179 1.00 0.00 H new ATOM 1220 N VAL A 79 9.617 2.866 -9.711 1.00 0.00 N ATOM 1221 CA VAL A 79 9.267 3.498 -8.450 1.00 0.00 C ATOM 1222 C VAL A 79 8.500 4.792 -8.729 1.00 0.00 C ATOM 1223 O VAL A 79 8.887 5.573 -9.597 1.00 0.00 O ATOM 1224 CB VAL A 79 10.526 3.719 -7.609 1.00 0.00 C ATOM 1225 CG1 VAL A 79 10.226 4.600 -6.395 1.00 0.00 C ATOM 1226 CG2 VAL A 79 11.140 2.384 -7.180 1.00 0.00 C ATOM 0 H VAL A 79 10.619 2.760 -9.872 1.00 0.00 H new ATOM 0 HA VAL A 79 8.612 2.851 -7.867 1.00 0.00 H new ATOM 0 HB VAL A 79 11.256 4.240 -8.229 1.00 0.00 H new ATOM 0 HG11 VAL A 79 11.137 4.742 -5.814 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.856 5.569 -6.731 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.471 4.118 -5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 79 12.033 2.569 -6.584 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.417 1.825 -6.586 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.408 1.806 -8.064 1.00 0.00 H new ATOM 1236 N PHE A 80 7.426 4.979 -7.976 1.00 0.00 N ATOM 1237 CA PHE A 80 6.600 6.164 -8.130 1.00 0.00 C ATOM 1238 C PHE A 80 6.771 7.110 -6.940 1.00 0.00 C ATOM 1239 O PHE A 80 6.771 8.329 -7.106 1.00 0.00 O ATOM 1240 CB PHE A 80 5.146 5.693 -8.187 1.00 0.00 C ATOM 1241 CG PHE A 80 4.134 6.820 -8.401 1.00 0.00 C ATOM 1242 CD1 PHE A 80 4.208 7.599 -9.514 1.00 0.00 C ATOM 1243 CD2 PHE A 80 3.160 7.044 -7.478 1.00 0.00 C ATOM 1244 CE1 PHE A 80 3.269 8.645 -9.712 1.00 0.00 C ATOM 1245 CE2 PHE A 80 2.221 8.091 -7.677 1.00 0.00 C ATOM 1246 CZ PHE A 80 2.296 8.869 -8.790 1.00 0.00 C ATOM 0 H PHE A 80 7.109 4.329 -7.257 1.00 0.00 H new ATOM 0 HA PHE A 80 6.888 6.703 -9.033 1.00 0.00 H new ATOM 0 HB2 PHE A 80 5.042 4.967 -8.993 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.906 5.175 -7.259 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.981 7.422 -10.247 1.00 0.00 H new ATOM 0 HD2 PHE A 80 3.101 6.426 -6.594 1.00 0.00 H new ATOM 0 HE1 PHE A 80 3.328 9.263 -10.596 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.448 8.269 -6.945 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.582 9.665 -8.941 1.00 0.00 H new ATOM 1256 N TYR A 81 6.912 6.513 -5.766 1.00 0.00 N ATOM 1257 CA TYR A 81 7.083 7.287 -4.548 1.00 0.00 C ATOM 1258 C TYR A 81 7.544 6.396 -3.392 1.00 0.00 C ATOM 1259 O TYR A 81 7.596 5.175 -3.528 1.00 0.00 O ATOM 1260 CB TYR A 81 5.704 7.860 -4.216 1.00 0.00 C ATOM 1261 CG TYR A 81 5.405 9.196 -4.900 1.00 0.00 C ATOM 1262 CD1 TYR A 81 6.349 10.203 -4.891 1.00 0.00 C ATOM 1263 CD2 TYR A 81 4.191 9.394 -5.525 1.00 0.00 C ATOM 1264 CE1 TYR A 81 6.067 11.460 -5.534 1.00 0.00 C ATOM 1265 CE2 TYR A 81 3.909 10.651 -6.169 1.00 0.00 C ATOM 1266 CZ TYR A 81 4.861 11.622 -6.142 1.00 0.00 C ATOM 1267 OH TYR A 81 4.594 12.809 -6.750 1.00 0.00 O ATOM 0 H TYR A 81 6.911 5.502 -5.632 1.00 0.00 H new ATOM 0 HA TYR A 81 7.836 8.063 -4.689 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.942 7.137 -4.505 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.626 7.990 -3.137 1.00 0.00 H new ATOM 0 HD1 TYR A 81 7.299 10.048 -4.402 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.452 8.606 -5.531 1.00 0.00 H new ATOM 0 HE1 TYR A 81 6.797 12.256 -5.534 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.963 10.819 -6.662 1.00 0.00 H new ATOM 0 HH TYR A 81 3.697 12.781 -7.143 1.00 0.00 H new ATOM 1277 N VAL A 82 7.866 7.042 -2.281 1.00 0.00 N ATOM 1278 CA VAL A 82 8.320 6.324 -1.103 1.00 0.00 C ATOM 1279 C VAL A 82 7.296 6.496 0.020 1.00 0.00 C ATOM 1280 O VAL A 82 6.533 7.461 0.027 1.00 0.00 O ATOM 1281 CB VAL A 82 9.722 6.795 -0.711 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.321 5.893 0.370 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.638 6.868 -1.934 1.00 0.00 C ATOM 0 H VAL A 82 7.821 8.055 -2.172 1.00 0.00 H new ATOM 0 HA VAL A 82 8.397 5.257 -1.312 1.00 0.00 H new ATOM 0 HB VAL A 82 9.634 7.800 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.318 6.250 0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.685 5.914 1.255 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.388 4.871 -0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.628 7.205 -1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.716 5.881 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.224 7.570 -2.658 1.00 0.00 H new ATOM 1293 N PHE A 83 7.312 5.545 0.943 1.00 0.00 N ATOM 1294 CA PHE A 83 6.394 5.580 2.069 1.00 0.00 C ATOM 1295 C PHE A 83 7.030 4.959 3.315 1.00 0.00 C ATOM 1296 O PHE A 83 7.641 3.895 3.239 1.00 0.00 O ATOM 1297 CB PHE A 83 5.168 4.755 1.672 1.00 0.00 C ATOM 1298 CG PHE A 83 4.218 5.474 0.713 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.400 6.457 1.175 1.00 0.00 C ATOM 1300 CD2 PHE A 83 4.191 5.130 -0.603 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.518 7.124 0.285 1.00 0.00 C ATOM 1302 CE2 PHE A 83 3.309 5.798 -1.493 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.491 6.781 -1.031 1.00 0.00 C ATOM 0 H PHE A 83 7.946 4.746 0.934 1.00 0.00 H new ATOM 0 HA PHE A 83 6.132 6.612 2.303 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.502 3.827 1.208 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.620 4.482 2.573 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.421 6.730 2.220 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.840 4.349 -0.971 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.868 7.904 0.653 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.288 5.525 -2.538 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.820 7.289 -1.708 1.00 0.00 H new ATOM 1313 N LYS A 84 6.864 5.652 4.432 1.00 0.00 N ATOM 1314 CA LYS A 84 7.415 5.183 5.692 1.00 0.00 C ATOM 1315 C LYS A 84 6.290 5.066 6.723 1.00 0.00 C ATOM 1316 O LYS A 84 5.376 5.889 6.745 1.00 0.00 O ATOM 1317 CB LYS A 84 8.569 6.081 6.140 1.00 0.00 C ATOM 1318 CG LYS A 84 8.951 5.799 7.595 1.00 0.00 C ATOM 1319 CD LYS A 84 9.926 6.854 8.120 1.00 0.00 C ATOM 1320 CE LYS A 84 9.478 7.383 9.485 1.00 0.00 C ATOM 1321 NZ LYS A 84 10.412 8.424 9.969 1.00 0.00 N ATOM 0 H LYS A 84 6.356 6.534 4.491 1.00 0.00 H new ATOM 0 HA LYS A 84 7.844 4.188 5.573 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.433 5.918 5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.283 7.127 6.032 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.054 5.787 8.214 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.404 4.810 7.671 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.924 6.423 8.202 1.00 0.00 H new ATOM 0 HD3 LYS A 84 9.992 7.679 7.410 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.472 7.795 9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.434 6.564 10.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.094 8.772 10.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 11.366 8.019 10.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.434 9.213 9.292 1.00 0.00 H new ATOM 1335 N ALA A 85 6.394 4.038 7.551 1.00 0.00 N ATOM 1336 CA ALA A 85 5.398 3.803 8.582 1.00 0.00 C ATOM 1337 C ALA A 85 6.035 4.010 9.958 1.00 0.00 C ATOM 1338 O ALA A 85 7.227 3.767 10.137 1.00 0.00 O ATOM 1339 CB ALA A 85 4.812 2.399 8.416 1.00 0.00 C ATOM 0 H ALA A 85 7.153 3.357 7.529 1.00 0.00 H new ATOM 0 HA ALA A 85 4.576 4.512 8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.065 2.223 9.190 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.345 2.313 7.435 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.608 1.660 8.505 1.00 0.00 H new ATOM 1345 N ASP A 86 5.211 4.455 10.895 1.00 0.00 N ATOM 1346 CA ASP A 86 5.679 4.697 12.249 1.00 0.00 C ATOM 1347 C ASP A 86 6.521 3.508 12.714 1.00 0.00 C ATOM 1348 O ASP A 86 7.706 3.658 13.006 1.00 0.00 O ATOM 1349 CB ASP A 86 4.505 4.852 13.218 1.00 0.00 C ATOM 1350 CG ASP A 86 4.095 6.297 13.512 1.00 0.00 C ATOM 1351 OD1 ASP A 86 3.366 6.863 12.669 1.00 0.00 O ATOM 1352 OD2 ASP A 86 4.521 6.802 14.573 1.00 0.00 O ATOM 0 H ASP A 86 4.222 4.654 10.743 1.00 0.00 H new ATOM 0 HA ASP A 86 6.266 5.615 12.243 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.644 4.322 12.810 1.00 0.00 H new ATOM 0 HB3 ASP A 86 4.763 4.365 14.158 1.00 0.00 H new ATOM 1357 N ASP A 87 5.876 2.351 12.766 1.00 0.00 N ATOM 1358 CA ASP A 87 6.551 1.136 13.190 1.00 0.00 C ATOM 1359 C ASP A 87 6.782 0.236 11.975 1.00 0.00 C ATOM 1360 O ASP A 87 6.381 0.575 10.862 1.00 0.00 O ATOM 1361 CB ASP A 87 5.704 0.360 14.200 1.00 0.00 C ATOM 1362 CG ASP A 87 6.133 0.517 15.660 1.00 0.00 C ATOM 1363 OD1 ASP A 87 7.361 0.523 15.894 1.00 0.00 O ATOM 1364 OD2 ASP A 87 5.223 0.629 16.510 1.00 0.00 O ATOM 0 H ASP A 87 4.893 2.230 12.521 1.00 0.00 H new ATOM 0 HA ASP A 87 7.496 1.419 13.654 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.667 0.682 14.105 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.734 -0.698 13.940 1.00 0.00 H new ATOM 1369 N ALA A 88 7.426 -0.893 12.229 1.00 0.00 N ATOM 1370 CA ALA A 88 7.715 -1.845 11.169 1.00 0.00 C ATOM 1371 C ALA A 88 6.504 -2.757 10.965 1.00 0.00 C ATOM 1372 O ALA A 88 6.094 -3.007 9.833 1.00 0.00 O ATOM 1373 CB ALA A 88 8.983 -2.627 11.517 1.00 0.00 C ATOM 0 H ALA A 88 7.756 -1.171 13.153 1.00 0.00 H new ATOM 0 HA ALA A 88 7.900 -1.328 10.228 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.200 -3.341 10.722 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.819 -1.936 11.622 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.835 -3.162 12.455 1.00 0.00 H new ATOM 1379 N HIS A 89 5.965 -3.230 12.079 1.00 0.00 N ATOM 1380 CA HIS A 89 4.809 -4.110 12.037 1.00 0.00 C ATOM 1381 C HIS A 89 3.738 -3.506 11.126 1.00 0.00 C ATOM 1382 O HIS A 89 2.967 -4.233 10.503 1.00 0.00 O ATOM 1383 CB HIS A 89 4.294 -4.398 13.448 1.00 0.00 C ATOM 1384 CG HIS A 89 5.285 -5.121 14.329 1.00 0.00 C ATOM 1385 ND1 HIS A 89 5.161 -5.181 15.706 1.00 0.00 N ATOM 1386 CD2 HIS A 89 6.418 -5.812 14.014 1.00 0.00 C ATOM 1387 CE1 HIS A 89 6.178 -5.880 16.188 1.00 0.00 C ATOM 1388 NE2 HIS A 89 6.957 -6.270 15.138 1.00 0.00 N ATOM 0 H HIS A 89 6.307 -3.020 13.017 1.00 0.00 H new ATOM 0 HA HIS A 89 5.095 -5.073 11.614 1.00 0.00 H new ATOM 0 HB2 HIS A 89 4.021 -3.456 13.923 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.384 -4.994 13.377 1.00 0.00 H new ATOM 0 HD2 HIS A 89 6.810 -5.961 13.019 1.00 0.00 H new ATOM 0 HE1 HIS A 89 6.359 -6.102 17.229 1.00 0.00 H new ATOM 0 HE2 HIS A 89 7.812 -6.822 15.205 1.00 0.00 H new ATOM 1396 N SER A 90 3.725 -2.182 11.079 1.00 0.00 N ATOM 1397 CA SER A 90 2.761 -1.472 10.255 1.00 0.00 C ATOM 1398 C SER A 90 3.133 -1.611 8.778 1.00 0.00 C ATOM 1399 O SER A 90 2.263 -1.804 7.930 1.00 0.00 O ATOM 1400 CB SER A 90 2.684 0.005 10.647 1.00 0.00 C ATOM 1401 OG SER A 90 2.198 0.180 11.975 1.00 0.00 O ATOM 0 H SER A 90 4.366 -1.582 11.598 1.00 0.00 H new ATOM 0 HA SER A 90 1.779 -1.915 10.419 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.673 0.455 10.561 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.032 0.532 9.950 1.00 0.00 H new ATOM 0 HG SER A 90 2.165 1.136 12.188 1.00 0.00 H new ATOM 1407 N THR A 91 4.428 -1.506 8.514 1.00 0.00 N ATOM 1408 CA THR A 91 4.926 -1.618 7.153 1.00 0.00 C ATOM 1409 C THR A 91 4.272 -2.803 6.442 1.00 0.00 C ATOM 1410 O THR A 91 3.520 -2.620 5.485 1.00 0.00 O ATOM 1411 CB THR A 91 6.451 -1.712 7.215 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.835 -0.607 8.029 1.00 0.00 O ATOM 1413 CG2 THR A 91 7.110 -1.425 5.864 1.00 0.00 C ATOM 0 H THR A 91 5.147 -1.345 9.219 1.00 0.00 H new ATOM 0 HA THR A 91 4.664 -0.741 6.562 1.00 0.00 H new ATOM 0 HB THR A 91 6.739 -2.706 7.557 1.00 0.00 H new ATOM 0 HG1 THR A 91 7.029 0.167 7.460 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.193 -1.505 5.963 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.759 -2.147 5.127 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.849 -0.418 5.538 1.00 0.00 H new ATOM 1421 N GLN A 92 4.582 -3.993 6.935 1.00 0.00 N ATOM 1422 CA GLN A 92 4.034 -5.209 6.358 1.00 0.00 C ATOM 1423 C GLN A 92 2.574 -4.993 5.954 1.00 0.00 C ATOM 1424 O GLN A 92 2.197 -5.254 4.813 1.00 0.00 O ATOM 1425 CB GLN A 92 4.166 -6.384 7.328 1.00 0.00 C ATOM 1426 CG GLN A 92 5.620 -6.848 7.432 1.00 0.00 C ATOM 1427 CD GLN A 92 6.035 -7.635 6.187 1.00 0.00 C ATOM 1428 OE1 GLN A 92 5.752 -8.813 6.043 1.00 0.00 O ATOM 1429 NE2 GLN A 92 6.720 -6.920 5.299 1.00 0.00 N ATOM 0 H GLN A 92 5.206 -4.141 7.728 1.00 0.00 H new ATOM 0 HA GLN A 92 4.606 -5.453 5.463 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.803 -6.090 8.313 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.540 -7.210 6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.273 -5.984 7.555 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.744 -7.470 8.318 1.00 0.00 H new ATOM 0 HE21 GLN A 92 6.923 -5.937 5.483 1.00 0.00 H new ATOM 0 HE22 GLN A 92 7.043 -7.354 4.434 1.00 0.00 H new ATOM 1438 N ARG A 93 1.792 -4.519 6.913 1.00 0.00 N ATOM 1439 CA ARG A 93 0.382 -4.265 6.671 1.00 0.00 C ATOM 1440 C ARG A 93 0.203 -3.420 5.409 1.00 0.00 C ATOM 1441 O ARG A 93 -0.383 -3.878 4.429 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.259 -3.540 7.857 1.00 0.00 C ATOM 1443 CG ARG A 93 -0.090 -4.344 9.147 1.00 0.00 C ATOM 1444 CD ARG A 93 -1.267 -4.110 10.097 1.00 0.00 C ATOM 1445 NE ARG A 93 -0.816 -3.347 11.282 1.00 0.00 N ATOM 1446 CZ ARG A 93 -0.052 -3.857 12.258 1.00 0.00 C ATOM 1447 NH1 ARG A 93 0.351 -5.133 12.196 1.00 0.00 N ATOM 1448 NH2 ARG A 93 0.308 -3.090 13.296 1.00 0.00 N ATOM 0 H ARG A 93 2.108 -4.304 7.859 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.110 -5.229 6.540 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.195 -2.556 7.975 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.319 -3.380 7.660 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -0.014 -5.405 8.911 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.841 -4.059 9.638 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.058 -3.564 9.582 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.689 -5.065 10.408 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.105 -2.372 11.361 1.00 0.00 H new ATOM 0 HH11 ARG A 93 0.076 -5.717 11.406 1.00 0.00 H new ATOM 0 HH12 ARG A 93 0.932 -5.521 12.939 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.001 -2.119 13.343 1.00 0.00 H new ATOM 0 HH22 ARG A 93 0.889 -3.478 14.039 1.00 0.00 H new ATOM 1462 N TRP A 94 0.719 -2.201 5.473 1.00 0.00 N ATOM 1463 CA TRP A 94 0.624 -1.288 4.347 1.00 0.00 C ATOM 1464 C TRP A 94 1.086 -2.034 3.093 1.00 0.00 C ATOM 1465 O TRP A 94 0.381 -2.057 2.085 1.00 0.00 O ATOM 1466 CB TRP A 94 1.422 -0.009 4.609 1.00 0.00 C ATOM 1467 CG TRP A 94 0.658 1.047 5.410 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.848 1.413 6.685 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.433 1.865 4.935 1.00 0.00 C ATOM 1470 NE1 TRP A 94 -0.036 2.402 7.065 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.839 2.686 5.967 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -1.055 1.909 3.675 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -1.883 3.610 5.844 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -2.096 2.838 3.569 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.518 3.672 4.598 1.00 0.00 C ATOM 0 H TRP A 94 1.204 -1.825 6.287 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.406 -0.963 4.200 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.336 -0.266 5.145 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.723 0.421 3.654 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.599 0.987 7.334 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -0.090 2.843 7.983 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.753 1.276 2.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.183 4.242 6.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.608 2.912 2.621 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.331 4.364 4.437 1.00 0.00 H new ATOM 1486 N ILE A 95 2.267 -2.625 3.196 1.00 0.00 N ATOM 1487 CA ILE A 95 2.831 -3.370 2.083 1.00 0.00 C ATOM 1488 C ILE A 95 1.779 -4.339 1.538 1.00 0.00 C ATOM 1489 O ILE A 95 1.371 -4.233 0.383 1.00 0.00 O ATOM 1490 CB ILE A 95 4.136 -4.050 2.500 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.228 -3.015 2.781 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.576 -5.078 1.456 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.497 -3.687 3.309 1.00 0.00 C ATOM 0 H ILE A 95 2.849 -2.603 4.033 1.00 0.00 H new ATOM 0 HA ILE A 95 3.096 -2.696 1.269 1.00 0.00 H new ATOM 0 HB ILE A 95 3.958 -4.591 3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.456 -2.465 1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.867 -2.289 3.509 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.506 -5.547 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.804 -5.840 1.348 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.732 -4.581 0.499 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.257 -2.930 3.501 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.270 -4.216 4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.869 -4.395 2.568 1.00 0.00 H new ATOM 1505 N ASP A 96 1.370 -5.262 2.396 1.00 0.00 N ATOM 1506 CA ASP A 96 0.374 -6.249 2.016 1.00 0.00 C ATOM 1507 C ASP A 96 -0.859 -5.534 1.459 1.00 0.00 C ATOM 1508 O ASP A 96 -1.400 -5.934 0.429 1.00 0.00 O ATOM 1509 CB ASP A 96 -0.066 -7.081 3.222 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.239 -8.576 2.948 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.582 -9.109 2.172 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -1.190 -9.151 3.520 1.00 0.00 O ATOM 0 H ASP A 96 1.711 -5.347 3.354 1.00 0.00 H new ATOM 0 HA ASP A 96 0.818 -6.906 1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.668 -6.955 4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -1.010 -6.683 3.594 1.00 0.00 H new ATOM 1517 N ALA A 97 -1.267 -4.489 2.165 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.426 -3.716 1.754 1.00 0.00 C ATOM 1519 C ALA A 97 -2.211 -3.201 0.329 1.00 0.00 C ATOM 1520 O ALA A 97 -3.097 -3.316 -0.517 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.663 -2.582 2.754 1.00 0.00 C ATOM 0 H ALA A 97 -0.815 -4.160 3.018 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.321 -4.339 1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.533 -2.001 2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.839 -3.001 3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.787 -1.935 2.784 1.00 0.00 H new ATOM 1527 N PHE A 98 -1.030 -2.643 0.107 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.687 -2.111 -1.201 1.00 0.00 C ATOM 1529 C PHE A 98 -0.410 -3.238 -2.197 1.00 0.00 C ATOM 1530 O PHE A 98 -0.362 -3.007 -3.404 1.00 0.00 O ATOM 1531 CB PHE A 98 0.584 -1.277 -1.025 1.00 0.00 C ATOM 1532 CG PHE A 98 0.323 0.210 -0.777 1.00 0.00 C ATOM 1533 CD1 PHE A 98 -0.044 1.017 -1.809 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.458 0.725 0.474 1.00 0.00 C ATOM 1535 CE1 PHE A 98 -0.286 2.398 -1.579 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.216 2.105 0.704 1.00 0.00 C ATOM 1537 CZ PHE A 98 -0.151 2.912 -0.327 1.00 0.00 C ATOM 0 H PHE A 98 -0.298 -2.548 0.811 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.514 -1.516 -1.589 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.157 -1.679 -0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.202 -1.383 -1.916 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.151 0.608 -2.803 1.00 0.00 H new ATOM 0 HD2 PHE A 98 0.749 0.084 1.293 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.577 3.039 -2.398 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.323 2.514 1.698 1.00 0.00 H new ATOM 0 HZ PHE A 98 -0.335 3.962 -0.152 1.00 0.00 H new ATOM 1547 N GLN A 99 -0.234 -4.434 -1.654 1.00 0.00 N ATOM 1548 CA GLN A 99 0.038 -5.598 -2.480 1.00 0.00 C ATOM 1549 C GLN A 99 -1.272 -6.275 -2.890 1.00 0.00 C ATOM 1550 O GLN A 99 -1.587 -6.357 -4.076 1.00 0.00 O ATOM 1551 CB GLN A 99 0.960 -6.581 -1.756 1.00 0.00 C ATOM 1552 CG GLN A 99 2.429 -6.201 -1.952 1.00 0.00 C ATOM 1553 CD GLN A 99 3.353 -7.332 -1.496 1.00 0.00 C ATOM 1554 OE1 GLN A 99 3.001 -8.500 -1.509 1.00 0.00 O ATOM 1555 NE2 GLN A 99 4.552 -6.921 -1.093 1.00 0.00 N ATOM 0 H GLN A 99 -0.274 -4.622 -0.652 1.00 0.00 H new ATOM 0 HA GLN A 99 0.552 -5.267 -3.383 1.00 0.00 H new ATOM 0 HB2 GLN A 99 0.722 -6.592 -0.692 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.788 -7.590 -2.131 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.613 -5.977 -3.003 1.00 0.00 H new ATOM 0 HG3 GLN A 99 2.652 -5.295 -1.389 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.782 -5.927 -1.108 1.00 0.00 H new ATOM 0 HE22 GLN A 99 5.241 -7.599 -0.769 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.999 -6.743 -1.886 1.00 0.00 N ATOM 1565 CA GLU A 100 -3.267 -7.410 -2.127 1.00 0.00 C ATOM 1566 C GLU A 100 -4.094 -6.625 -3.148 1.00 0.00 C ATOM 1567 O GLU A 100 -4.826 -7.213 -3.942 1.00 0.00 O ATOM 1568 CB GLU A 100 -4.043 -7.600 -0.823 1.00 0.00 C ATOM 1569 CG GLU A 100 -3.766 -8.977 -0.216 1.00 0.00 C ATOM 1570 CD GLU A 100 -5.066 -9.653 0.226 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -6.011 -9.657 -0.592 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -5.086 -10.150 1.373 1.00 0.00 O ATOM 0 H GLU A 100 -1.734 -6.673 -0.904 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.063 -8.399 -2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.763 -6.822 -0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -5.111 -7.490 -1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -3.256 -9.605 -0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -3.097 -8.874 0.638 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.948 -5.309 -3.093 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.673 -4.438 -4.003 1.00 0.00 C ATOM 1581 C GLY A 101 -4.287 -4.721 -5.456 1.00 0.00 C ATOM 1582 O GLY A 101 -5.085 -5.262 -6.220 1.00 0.00 O ATOM 0 H GLY A 101 -3.339 -4.825 -2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.746 -4.582 -3.873 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.460 -3.396 -3.763 1.00 0.00 H new ATOM 1586 N THR A 102 -3.063 -4.341 -5.795 1.00 0.00 N ATOM 1587 CA THR A 102 -2.562 -4.547 -7.143 1.00 0.00 C ATOM 1588 C THR A 102 -2.925 -5.948 -7.639 1.00 0.00 C ATOM 1589 O THR A 102 -3.308 -6.122 -8.795 1.00 0.00 O ATOM 1590 CB THR A 102 -1.056 -4.278 -7.134 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.532 -5.263 -6.247 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.703 -2.948 -6.464 1.00 0.00 C ATOM 0 H THR A 102 -2.404 -3.892 -5.159 1.00 0.00 H new ATOM 0 HA THR A 102 -3.026 -3.856 -7.847 1.00 0.00 H new ATOM 0 HB THR A 102 -0.681 -4.280 -8.158 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.107 -5.330 -5.456 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.378 -2.806 -6.484 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.187 -2.131 -7.000 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.048 -2.959 -5.430 1.00 0.00 H new ATOM 1600 N VAL A 103 -2.792 -6.912 -6.740 1.00 0.00 N ATOM 1601 CA VAL A 103 -3.102 -8.293 -7.072 1.00 0.00 C ATOM 1602 C VAL A 103 -4.588 -8.552 -6.819 1.00 0.00 C ATOM 1603 O VAL A 103 -5.372 -7.614 -6.684 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.188 -9.237 -6.287 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -0.716 -8.950 -6.587 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.470 -9.150 -4.786 1.00 0.00 C ATOM 0 H VAL A 103 -2.474 -6.765 -5.782 1.00 0.00 H new ATOM 0 HA VAL A 103 -2.914 -8.484 -8.129 1.00 0.00 H new ATOM 0 HB VAL A 103 -2.402 -10.256 -6.609 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -0.088 -9.635 -6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.528 -9.087 -7.652 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -0.481 -7.923 -6.307 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.807 -9.830 -4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -2.297 -8.130 -4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -3.506 -9.427 -4.594 1.00 0.00 H new