USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 949 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 88 MET CE :methyl 156:sc= -1.94 (180deg=-2.85!) USER MOD Set 1.2: A 130 CYS SG : rot 164:sc= -4.24! USER MOD Set 2.1: A 123 SER OG : rot -84:sc= 1.17 USER MOD Set 2.2: A 127 GLN : amide:sc= -0.173 K(o=0.25,f=-0.28) USER MOD Set 2.3: A 163 HIS :FLIP no HE2:sc= -0.385 F(o=-1.4,f=0.25) USER MOD Set 2.4: A 167 MET CE :methyl -143:sc= -0.363 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 164:sc=-0.00908 (180deg=-0.196) USER MOD Single : A 21 GLN : amide:sc= 0.365 X(o=0.37,f=-0.034) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.537 USER MOD Single : A 25 MET CE :methyl 169:sc=-0.00231 (180deg=-0.0874) USER MOD Single : A 34 MET CE :methyl 156:sc= -4.24 (180deg=-6.9!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= 0.0464 K(o=0.046,f=-1.3) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.535 K(o=-0.54,f=-2.2!) USER MOD Single : A 45 MET CE :methyl -146:sc= -6.24! (180deg=-9.29!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -19:sc= -0.335 USER MOD Single : A 48 SER OG : rot -107:sc= 0.475 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.031) USER MOD Single : A 58 MET CE :methyl -126:sc= -1.05 (180deg=-2.23) USER MOD Single : A 59 ASN : amide:sc= -3.84 X(o=-3.8,f=-3.7!) USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.244 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0573 X(o=-0.057,f=-0.057) USER MOD Single : A 80 CYS SG : rot 155:sc= -0.0663 USER MOD Single : A 86 SER OG : rot -52:sc= 0.441 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.58 X(o=-0.58,f=-0.92) USER MOD Single : A 96 THR OG1 : rot -51:sc= 1.21 USER MOD Single : A 101 MET CE :methyl -111:sc= -1.36 (180deg=-3.5!) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0171 USER MOD Single : A 110 CYS SG : rot -110:sc= -1.43 USER MOD Single : A 111 HIS :FLIP no HD1:sc= -4.09! C(o=-4.7!,f=-4.1!) USER MOD Single : A 115 CYS SG : rot 180:sc= -0.368 USER MOD Single : A 118 ASN :FLIP amide:sc= -0.0215 F(o=-0.86,f=-0.022) USER MOD Single : A 121 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.24) USER MOD Single : A 165 SER OG : rot 180:sc= -0.427 USER MOD Single : A 166 LYS NZ :NH3+ -165:sc=-0.00773 (180deg=-0.145) USER MOD Single : A 168 GLN : amide:sc= -1.23 K(o=-1.2,f=-3.2!) USER MOD Single : A 169 GLN : amide:sc= -0.0989 K(o=-0.099,f=-1.5) USER MOD Single : A 170 ASN : amide:sc= -2.28 X(o=-2.3,f=-1.9) USER MOD Single : A 172 TYR OH : rot 180:sc= 0 USER MOD Single : A 174 ASN :FLIP amide:sc= -5.49! C(o=-6.4!,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 178 N VAL A 15 7.265 -0.139 13.924 1.00 0.00 N ATOM 179 CA VAL A 15 6.817 0.319 12.615 1.00 0.00 C ATOM 180 C VAL A 15 7.992 0.485 11.658 1.00 0.00 C ATOM 181 O VAL A 15 9.109 0.786 12.079 1.00 0.00 O ATOM 182 CB VAL A 15 6.060 1.657 12.717 1.00 0.00 C ATOM 183 CG1 VAL A 15 6.947 2.727 13.336 1.00 0.00 C ATOM 184 CG2 VAL A 15 5.563 2.093 11.347 1.00 0.00 C ATOM 0 HA VAL A 15 6.142 -0.444 12.228 1.00 0.00 H new ATOM 0 HB VAL A 15 5.195 1.516 13.365 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.395 3.665 13.400 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.250 2.415 14.336 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.833 2.869 12.717 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.031 3.040 11.437 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.412 2.217 10.674 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.890 1.335 10.946 1.00 0.00 H new ATOM 194 N GLN A 16 7.733 0.285 10.370 1.00 0.00 N ATOM 195 CA GLN A 16 8.770 0.412 9.353 1.00 0.00 C ATOM 196 C GLN A 16 8.444 1.541 8.381 1.00 0.00 C ATOM 197 O GLN A 16 7.398 1.533 7.732 1.00 0.00 O ATOM 198 CB GLN A 16 8.930 -0.904 8.591 1.00 0.00 C ATOM 199 CG GLN A 16 9.581 -2.006 9.410 1.00 0.00 C ATOM 200 CD GLN A 16 9.673 -3.318 8.655 1.00 0.00 C ATOM 201 OE1 GLN A 16 10.744 -3.702 8.184 1.00 0.00 O ATOM 202 NE2 GLN A 16 8.548 -4.013 8.536 1.00 0.00 N ATOM 0 H GLN A 16 6.814 0.034 10.006 1.00 0.00 H new ATOM 0 HA GLN A 16 9.708 0.649 9.854 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.949 -1.242 8.257 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.527 -0.726 7.697 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.582 -1.691 9.706 1.00 0.00 H new ATOM 0 HG3 GLN A 16 9.010 -2.158 10.326 1.00 0.00 H new ATOM 0 HE21 GLN A 16 7.683 -3.657 8.942 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.549 -4.903 8.038 1.00 0.00 H new ATOM 211 N LYS A 17 9.347 2.511 8.284 1.00 0.00 N ATOM 212 CA LYS A 17 9.157 3.647 7.390 1.00 0.00 C ATOM 213 C LYS A 17 9.760 3.366 6.018 1.00 0.00 C ATOM 214 O LYS A 17 10.801 2.719 5.907 1.00 0.00 O ATOM 215 CB LYS A 17 9.790 4.905 7.989 1.00 0.00 C ATOM 216 CG LYS A 17 9.092 5.398 9.245 1.00 0.00 C ATOM 217 CD LYS A 17 9.575 4.654 10.479 1.00 0.00 C ATOM 218 CE LYS A 17 10.932 5.162 10.942 1.00 0.00 C ATOM 219 NZ LYS A 17 10.842 6.529 11.525 1.00 0.00 N ATOM 0 H LYS A 17 10.218 2.533 8.814 1.00 0.00 H new ATOM 0 HA LYS A 17 8.086 3.808 7.271 1.00 0.00 H new ATOM 0 HB2 LYS A 17 10.835 4.701 8.221 1.00 0.00 H new ATOM 0 HB3 LYS A 17 9.778 5.698 7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.274 6.466 9.368 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.015 5.268 9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.848 4.771 11.283 1.00 0.00 H new ATOM 0 HD3 LYS A 17 9.640 3.588 10.260 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.343 4.477 11.684 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.623 5.171 10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.706 6.733 12.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.740 7.226 10.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 10.017 6.584 12.156 1.00 0.00 H new ATOM 233 N PHE A 18 9.100 3.859 4.975 1.00 0.00 N ATOM 234 CA PHE A 18 9.572 3.661 3.609 1.00 0.00 C ATOM 235 C PHE A 18 9.488 4.959 2.811 1.00 0.00 C ATOM 236 O PHE A 18 8.452 5.624 2.794 1.00 0.00 O ATOM 237 CB PHE A 18 8.753 2.570 2.917 1.00 0.00 C ATOM 238 CG PHE A 18 8.872 1.224 3.572 1.00 0.00 C ATOM 239 CD1 PHE A 18 9.863 0.336 3.187 1.00 0.00 C ATOM 240 CD2 PHE A 18 7.992 0.846 4.574 1.00 0.00 C ATOM 241 CE1 PHE A 18 9.976 -0.903 3.789 1.00 0.00 C ATOM 242 CE2 PHE A 18 8.100 -0.392 5.179 1.00 0.00 C ATOM 243 CZ PHE A 18 9.092 -1.268 4.785 1.00 0.00 C ATOM 0 H PHE A 18 8.237 4.398 5.049 1.00 0.00 H new ATOM 0 HA PHE A 18 10.616 3.349 3.653 1.00 0.00 H new ATOM 0 HB2 PHE A 18 7.704 2.867 2.904 1.00 0.00 H new ATOM 0 HB3 PHE A 18 9.074 2.489 1.879 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.556 0.615 2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 18 7.213 1.526 4.885 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.755 -1.585 3.481 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.409 -0.674 5.959 1.00 0.00 H new ATOM 0 HZ PHE A 18 9.176 -2.237 5.255 1.00 0.00 H new ATOM 253 N ARG A 19 10.586 5.313 2.152 1.00 0.00 N ATOM 254 CA ARG A 19 10.639 6.532 1.354 1.00 0.00 C ATOM 255 C ARG A 19 9.854 6.365 0.055 1.00 0.00 C ATOM 256 O ARG A 19 10.152 5.486 -0.754 1.00 0.00 O ATOM 257 CB ARG A 19 12.090 6.901 1.042 1.00 0.00 C ATOM 258 CG ARG A 19 12.232 8.173 0.222 1.00 0.00 C ATOM 259 CD ARG A 19 12.233 7.877 -1.270 1.00 0.00 C ATOM 260 NE ARG A 19 13.580 7.642 -1.781 1.00 0.00 N ATOM 261 CZ ARG A 19 14.475 8.606 -1.964 1.00 0.00 C ATOM 262 NH1 ARG A 19 14.168 9.864 -1.678 1.00 0.00 N ATOM 263 NH2 ARG A 19 15.682 8.313 -2.433 1.00 0.00 N ATOM 0 H ARG A 19 11.451 4.773 2.155 1.00 0.00 H new ATOM 0 HA ARG A 19 10.184 7.336 1.933 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.635 7.020 1.978 1.00 0.00 H new ATOM 0 HB3 ARG A 19 12.558 6.077 0.503 1.00 0.00 H new ATOM 0 HG2 ARG A 19 11.414 8.853 0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 19 13.157 8.681 0.494 1.00 0.00 H new ATOM 0 HD2 ARG A 19 11.613 7.002 -1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.783 8.713 -1.806 1.00 0.00 H new ATOM 0 HE ARG A 19 13.849 6.685 -2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 19 13.242 10.093 -1.316 1.00 0.00 H new ATOM 0 HH12 ARG A 19 14.858 10.602 -1.820 1.00 0.00 H new ATOM 0 HH21 ARG A 19 15.923 7.347 -2.653 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.368 9.054 -2.573 1.00 0.00 H new ATOM 277 N VAL A 20 8.851 7.215 -0.137 1.00 0.00 N ATOM 278 CA VAL A 20 8.024 7.163 -1.337 1.00 0.00 C ATOM 279 C VAL A 20 7.447 8.535 -1.667 1.00 0.00 C ATOM 280 O VAL A 20 7.719 9.516 -0.975 1.00 0.00 O ATOM 281 CB VAL A 20 6.868 6.157 -1.179 1.00 0.00 C ATOM 282 CG1 VAL A 20 7.408 4.744 -1.019 1.00 0.00 C ATOM 283 CG2 VAL A 20 5.989 6.538 0.003 1.00 0.00 C ATOM 0 H VAL A 20 8.591 7.948 0.523 1.00 0.00 H new ATOM 0 HA VAL A 20 8.670 6.838 -2.152 1.00 0.00 H new ATOM 0 HB VAL A 20 6.257 6.187 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.577 4.047 -0.909 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.992 4.476 -1.899 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.042 4.695 -0.134 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.177 5.817 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.586 6.538 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.573 7.533 -0.158 1.00 0.00 H new ATOM 293 N GLN A 21 6.651 8.596 -2.730 1.00 0.00 N ATOM 294 CA GLN A 21 6.036 9.849 -3.152 1.00 0.00 C ATOM 295 C GLN A 21 4.515 9.734 -3.159 1.00 0.00 C ATOM 296 O GLN A 21 3.966 8.639 -3.287 1.00 0.00 O ATOM 297 CB GLN A 21 6.536 10.243 -4.543 1.00 0.00 C ATOM 298 CG GLN A 21 7.927 10.857 -4.538 1.00 0.00 C ATOM 299 CD GLN A 21 8.506 11.001 -5.932 1.00 0.00 C ATOM 300 OE1 GLN A 21 9.431 10.281 -6.309 1.00 0.00 O ATOM 301 NE2 GLN A 21 7.963 11.934 -6.705 1.00 0.00 N ATOM 0 H GLN A 21 6.417 7.793 -3.314 1.00 0.00 H new ATOM 0 HA GLN A 21 6.320 10.623 -2.439 1.00 0.00 H new ATOM 0 HB2 GLN A 21 6.540 9.360 -5.182 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.836 10.953 -4.984 1.00 0.00 H new ATOM 0 HG2 GLN A 21 7.886 11.837 -4.063 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.591 10.238 -3.935 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.198 12.508 -6.351 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.311 12.077 -7.653 1.00 0.00 H new ATOM 310 N TYR A 22 3.841 10.870 -3.020 1.00 0.00 N ATOM 311 CA TYR A 22 2.383 10.896 -3.007 1.00 0.00 C ATOM 312 C TYR A 22 1.837 11.473 -4.310 1.00 0.00 C ATOM 313 O TYR A 22 2.094 12.629 -4.647 1.00 0.00 O ATOM 314 CB TYR A 22 1.877 11.719 -1.821 1.00 0.00 C ATOM 315 CG TYR A 22 0.370 11.813 -1.748 1.00 0.00 C ATOM 316 CD1 TYR A 22 -0.428 10.702 -1.994 1.00 0.00 C ATOM 317 CD2 TYR A 22 -0.257 13.012 -1.431 1.00 0.00 C ATOM 318 CE1 TYR A 22 -1.805 10.784 -1.929 1.00 0.00 C ATOM 319 CE2 TYR A 22 -1.633 13.102 -1.362 1.00 0.00 C ATOM 320 CZ TYR A 22 -2.403 11.986 -1.613 1.00 0.00 C ATOM 321 OH TYR A 22 -3.775 12.070 -1.545 1.00 0.00 O ATOM 0 H TYR A 22 4.280 11.784 -2.915 1.00 0.00 H new ATOM 0 HA TYR A 22 2.028 9.870 -2.907 1.00 0.00 H new ATOM 0 HB2 TYR A 22 2.250 11.277 -0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.293 12.725 -1.884 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.037 9.759 -2.240 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.343 13.889 -1.235 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.411 9.911 -2.125 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.104 14.042 -1.113 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.035 12.985 -1.310 1.00 0.00 H new ATOM 331 N LEU A 23 1.081 10.658 -5.038 1.00 0.00 N ATOM 332 CA LEU A 23 0.497 11.086 -6.305 1.00 0.00 C ATOM 333 C LEU A 23 -0.795 11.863 -6.074 1.00 0.00 C ATOM 334 O LEU A 23 -1.031 12.894 -6.702 1.00 0.00 O ATOM 335 CB LEU A 23 0.223 9.874 -7.197 1.00 0.00 C ATOM 336 CG LEU A 23 1.454 9.181 -7.784 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.049 8.209 -6.778 1.00 0.00 C ATOM 338 CD2 LEU A 23 1.095 8.461 -9.076 1.00 0.00 C ATOM 0 H LEU A 23 0.858 9.698 -4.773 1.00 0.00 H new ATOM 0 HA LEU A 23 1.211 11.743 -6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.340 9.142 -6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.418 10.191 -8.020 1.00 0.00 H new ATOM 0 HG LEU A 23 2.202 9.941 -8.011 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.924 7.725 -7.213 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.343 8.751 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.307 7.453 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.983 7.974 -9.480 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.330 7.712 -8.874 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.715 9.181 -9.801 1.00 0.00 H new ATOM 350 N GLY A 24 -1.627 11.362 -5.166 1.00 0.00 N ATOM 351 CA GLY A 24 -2.883 12.024 -4.866 1.00 0.00 C ATOM 352 C GLY A 24 -3.945 11.058 -4.379 1.00 0.00 C ATOM 353 O GLY A 24 -3.679 9.869 -4.203 1.00 0.00 O ATOM 0 H GLY A 24 -1.454 10.510 -4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.715 12.788 -4.107 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.243 12.535 -5.759 1.00 0.00 H new ATOM 357 N MET A 25 -5.152 11.570 -4.157 1.00 0.00 N ATOM 358 CA MET A 25 -6.257 10.744 -3.687 1.00 0.00 C ATOM 359 C MET A 25 -7.322 10.593 -4.768 1.00 0.00 C ATOM 360 O MET A 25 -7.705 11.567 -5.417 1.00 0.00 O ATOM 361 CB MET A 25 -6.876 11.352 -2.427 1.00 0.00 C ATOM 362 CG MET A 25 -7.666 10.355 -1.595 1.00 0.00 C ATOM 363 SD MET A 25 -8.704 11.152 -0.355 1.00 0.00 S ATOM 364 CE MET A 25 -10.059 11.735 -1.372 1.00 0.00 C ATOM 0 H MET A 25 -5.389 12.552 -4.295 1.00 0.00 H new ATOM 0 HA MET A 25 -5.863 9.756 -3.450 1.00 0.00 H new ATOM 0 HB2 MET A 25 -6.083 11.778 -1.812 1.00 0.00 H new ATOM 0 HB3 MET A 25 -7.532 12.173 -2.715 1.00 0.00 H new ATOM 0 HG2 MET A 25 -8.292 9.753 -2.254 1.00 0.00 H new ATOM 0 HG3 MET A 25 -6.975 9.673 -1.100 1.00 0.00 H new ATOM 0 HE1 MET A 25 -10.874 12.075 -0.733 1.00 0.00 H new ATOM 0 HE2 MET A 25 -9.717 12.562 -1.995 1.00 0.00 H new ATOM 0 HE3 MET A 25 -10.412 10.923 -2.008 1.00 0.00 H new ATOM 374 N LEU A 26 -7.796 9.366 -4.958 1.00 0.00 N ATOM 375 CA LEU A 26 -8.818 9.088 -5.962 1.00 0.00 C ATOM 376 C LEU A 26 -9.838 8.083 -5.437 1.00 0.00 C ATOM 377 O LEU A 26 -9.517 6.933 -5.139 1.00 0.00 O ATOM 378 CB LEU A 26 -8.171 8.554 -7.241 1.00 0.00 C ATOM 379 CG LEU A 26 -8.901 8.872 -8.546 1.00 0.00 C ATOM 380 CD1 LEU A 26 -10.278 8.225 -8.559 1.00 0.00 C ATOM 381 CD2 LEU A 26 -9.016 10.377 -8.740 1.00 0.00 C ATOM 0 H LEU A 26 -7.489 8.549 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.336 10.020 -6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.159 8.955 -7.307 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.080 7.471 -7.154 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.321 8.462 -9.373 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.783 8.462 -9.496 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.173 7.144 -8.467 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -10.866 8.605 -7.724 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.538 10.585 -9.674 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.573 10.809 -7.909 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.019 10.816 -8.776 1.00 0.00 H new ATOM 393 N PRO A 27 -11.099 8.526 -5.321 1.00 0.00 N ATOM 394 CA PRO A 27 -12.193 7.681 -4.834 1.00 0.00 C ATOM 395 C PRO A 27 -12.565 6.585 -5.827 1.00 0.00 C ATOM 396 O PRO A 27 -12.405 6.749 -7.036 1.00 0.00 O ATOM 397 CB PRO A 27 -13.353 8.665 -4.664 1.00 0.00 C ATOM 398 CG PRO A 27 -13.052 9.772 -5.614 1.00 0.00 C ATOM 399 CD PRO A 27 -11.554 9.886 -5.657 1.00 0.00 C ATOM 0 HA PRO A 27 -11.925 7.155 -3.918 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -14.309 8.194 -4.895 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.416 9.029 -3.639 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.455 9.557 -6.604 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.505 10.706 -5.281 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -11.203 10.196 -6.641 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -11.186 10.621 -4.941 1.00 0.00 H new ATOM 407 N VAL A 28 -13.063 5.467 -5.308 1.00 0.00 N ATOM 408 CA VAL A 28 -13.460 4.344 -6.150 1.00 0.00 C ATOM 409 C VAL A 28 -14.929 3.993 -5.942 1.00 0.00 C ATOM 410 O VAL A 28 -15.565 4.473 -5.004 1.00 0.00 O ATOM 411 CB VAL A 28 -12.600 3.098 -5.865 1.00 0.00 C ATOM 412 CG1 VAL A 28 -11.152 3.348 -6.255 1.00 0.00 C ATOM 413 CG2 VAL A 28 -12.705 2.702 -4.400 1.00 0.00 C ATOM 0 H VAL A 28 -13.201 5.315 -4.309 1.00 0.00 H new ATOM 0 HA VAL A 28 -13.307 4.654 -7.184 1.00 0.00 H new ATOM 0 HB VAL A 28 -12.977 2.272 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.560 2.457 -6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.096 3.580 -7.319 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.760 4.187 -5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.091 1.820 -4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -12.355 3.524 -3.775 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -13.744 2.478 -4.157 1.00 0.00 H new ATOM 423 N ASP A 29 -15.461 3.153 -6.822 1.00 0.00 N ATOM 424 CA ASP A 29 -16.855 2.736 -6.735 1.00 0.00 C ATOM 425 C ASP A 29 -16.975 1.379 -6.047 1.00 0.00 C ATOM 426 O ASP A 29 -17.885 1.155 -5.250 1.00 0.00 O ATOM 427 CB ASP A 29 -17.479 2.671 -8.130 1.00 0.00 C ATOM 428 CG ASP A 29 -18.625 1.682 -8.206 1.00 0.00 C ATOM 429 OD1 ASP A 29 -19.588 1.827 -7.423 1.00 0.00 O ATOM 430 OD2 ASP A 29 -18.561 0.762 -9.049 1.00 0.00 O ATOM 0 H ASP A 29 -14.948 2.747 -7.604 1.00 0.00 H new ATOM 0 HA ASP A 29 -17.392 3.474 -6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -17.838 3.661 -8.411 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -16.714 2.392 -8.855 1.00 0.00 H new ATOM 435 N ARG A 30 -16.050 0.479 -6.362 1.00 0.00 N ATOM 436 CA ARG A 30 -16.053 -0.856 -5.776 1.00 0.00 C ATOM 437 C ARG A 30 -14.883 -1.029 -4.811 1.00 0.00 C ATOM 438 O ARG A 30 -13.787 -0.511 -5.025 1.00 0.00 O ATOM 439 CB ARG A 30 -15.982 -1.919 -6.874 1.00 0.00 C ATOM 440 CG ARG A 30 -17.257 -2.031 -7.695 1.00 0.00 C ATOM 441 CD ARG A 30 -18.368 -2.710 -6.909 1.00 0.00 C ATOM 442 NE ARG A 30 -19.664 -2.576 -7.568 1.00 0.00 N ATOM 443 CZ ARG A 30 -20.044 -3.320 -8.600 1.00 0.00 C ATOM 444 NH1 ARG A 30 -19.231 -4.247 -9.089 1.00 0.00 N ATOM 445 NH2 ARG A 30 -21.241 -3.139 -9.145 1.00 0.00 N ATOM 0 H ARG A 30 -15.289 0.650 -7.019 1.00 0.00 H new ATOM 0 HA ARG A 30 -16.983 -0.979 -5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -15.150 -1.687 -7.539 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -15.766 -2.886 -6.419 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -17.582 -1.037 -8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -17.056 -2.596 -8.605 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -18.131 -3.767 -6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -18.423 -2.277 -5.910 1.00 0.00 H new ATOM 0 HE ARG A 30 -20.313 -1.872 -7.216 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -18.311 -4.390 -8.672 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -19.526 -4.817 -9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -21.869 -2.428 -8.771 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -21.532 -3.711 -9.938 1.00 0.00 H new ATOM 459 N PRO A 31 -15.120 -1.775 -3.721 1.00 0.00 N ATOM 460 CA PRO A 31 -14.099 -2.033 -2.702 1.00 0.00 C ATOM 461 C PRO A 31 -12.992 -2.951 -3.209 1.00 0.00 C ATOM 462 O PRO A 31 -11.867 -2.916 -2.712 1.00 0.00 O ATOM 463 CB PRO A 31 -14.884 -2.713 -1.578 1.00 0.00 C ATOM 464 CG PRO A 31 -16.056 -3.335 -2.256 1.00 0.00 C ATOM 465 CD PRO A 31 -16.403 -2.423 -3.401 1.00 0.00 C ATOM 0 HA PRO A 31 -13.591 -1.119 -2.394 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -14.278 -3.462 -1.069 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.200 -1.992 -0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -15.814 -4.336 -2.614 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -16.896 -3.436 -1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.796 -2.979 -4.252 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -17.162 -1.694 -3.118 1.00 0.00 H new ATOM 473 N VAL A 32 -13.319 -3.771 -4.203 1.00 0.00 N ATOM 474 CA VAL A 32 -12.352 -4.697 -4.779 1.00 0.00 C ATOM 475 C VAL A 32 -12.421 -4.687 -6.302 1.00 0.00 C ATOM 476 O VAL A 32 -13.473 -4.427 -6.884 1.00 0.00 O ATOM 477 CB VAL A 32 -12.582 -6.135 -4.275 1.00 0.00 C ATOM 478 CG1 VAL A 32 -12.418 -6.204 -2.764 1.00 0.00 C ATOM 479 CG2 VAL A 32 -13.957 -6.632 -4.694 1.00 0.00 C ATOM 0 H VAL A 32 -14.246 -3.813 -4.626 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.365 -4.362 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.833 -6.785 -4.727 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -12.584 -7.227 -2.426 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -11.410 -5.892 -2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.143 -5.543 -2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -14.103 -7.649 -4.330 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -14.723 -5.982 -4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -14.032 -6.622 -5.781 1.00 0.00 H new ATOM 489 N GLY A 33 -11.291 -4.973 -6.942 1.00 0.00 N ATOM 490 CA GLY A 33 -11.245 -4.992 -8.393 1.00 0.00 C ATOM 491 C GLY A 33 -10.082 -4.192 -8.946 1.00 0.00 C ATOM 492 O GLY A 33 -10.162 -2.970 -9.067 1.00 0.00 O ATOM 0 H GLY A 33 -10.407 -5.192 -6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.169 -6.023 -8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.178 -4.591 -8.788 1.00 0.00 H new ATOM 496 N MET A 34 -8.997 -4.883 -9.282 1.00 0.00 N ATOM 497 CA MET A 34 -7.812 -4.229 -9.825 1.00 0.00 C ATOM 498 C MET A 34 -8.197 -3.196 -10.879 1.00 0.00 C ATOM 499 O MET A 34 -7.687 -2.076 -10.880 1.00 0.00 O ATOM 500 CB MET A 34 -6.864 -5.265 -10.431 1.00 0.00 C ATOM 501 CG MET A 34 -5.862 -5.828 -9.435 1.00 0.00 C ATOM 502 SD MET A 34 -4.343 -4.860 -9.356 1.00 0.00 S ATOM 503 CE MET A 34 -4.841 -3.537 -8.256 1.00 0.00 C ATOM 0 H MET A 34 -8.914 -5.895 -9.188 1.00 0.00 H new ATOM 0 HA MET A 34 -7.303 -3.717 -9.008 1.00 0.00 H new ATOM 0 HB2 MET A 34 -7.451 -6.084 -10.846 1.00 0.00 H new ATOM 0 HB3 MET A 34 -6.323 -4.809 -11.260 1.00 0.00 H new ATOM 0 HG2 MET A 34 -6.319 -5.862 -8.446 1.00 0.00 H new ATOM 0 HG3 MET A 34 -5.620 -6.855 -9.710 1.00 0.00 H new ATOM 0 HE1 MET A 34 -3.960 -3.114 -7.773 1.00 0.00 H new ATOM 0 HE2 MET A 34 -5.350 -2.761 -8.828 1.00 0.00 H new ATOM 0 HE3 MET A 34 -5.517 -3.930 -7.497 1.00 0.00 H new ATOM 513 N ASP A 35 -9.098 -3.581 -11.776 1.00 0.00 N ATOM 514 CA ASP A 35 -9.552 -2.688 -12.836 1.00 0.00 C ATOM 515 C ASP A 35 -9.965 -1.334 -12.267 1.00 0.00 C ATOM 516 O ASP A 35 -9.646 -0.287 -12.831 1.00 0.00 O ATOM 517 CB ASP A 35 -10.723 -3.315 -13.595 1.00 0.00 C ATOM 518 CG ASP A 35 -10.370 -4.663 -14.193 1.00 0.00 C ATOM 519 OD1 ASP A 35 -10.021 -5.581 -13.422 1.00 0.00 O ATOM 520 OD2 ASP A 35 -10.442 -4.799 -15.433 1.00 0.00 O ATOM 0 H ASP A 35 -9.529 -4.506 -11.790 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.723 -2.534 -13.527 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.570 -3.431 -12.919 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.040 -2.640 -14.390 1.00 0.00 H new ATOM 525 N THR A 36 -10.678 -1.363 -11.145 1.00 0.00 N ATOM 526 CA THR A 36 -11.136 -0.139 -10.500 1.00 0.00 C ATOM 527 C THR A 36 -9.982 0.592 -9.823 1.00 0.00 C ATOM 528 O THR A 36 -9.878 1.817 -9.903 1.00 0.00 O ATOM 529 CB THR A 36 -12.228 -0.431 -9.454 1.00 0.00 C ATOM 530 OG1 THR A 36 -13.304 -1.158 -10.057 1.00 0.00 O ATOM 531 CG2 THR A 36 -12.759 0.861 -8.851 1.00 0.00 C ATOM 0 H THR A 36 -10.950 -2.221 -10.665 1.00 0.00 H new ATOM 0 HA THR A 36 -11.553 0.494 -11.283 1.00 0.00 H new ATOM 0 HB THR A 36 -11.786 -1.031 -8.659 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.993 -1.341 -9.384 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.529 0.630 -8.115 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.944 1.398 -8.366 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.185 1.482 -9.639 1.00 0.00 H new ATOM 539 N LEU A 37 -9.117 -0.165 -9.158 1.00 0.00 N ATOM 540 CA LEU A 37 -7.969 0.411 -8.468 1.00 0.00 C ATOM 541 C LEU A 37 -7.070 1.166 -9.442 1.00 0.00 C ATOM 542 O LEU A 37 -6.643 2.287 -9.166 1.00 0.00 O ATOM 543 CB LEU A 37 -7.168 -0.687 -7.764 1.00 0.00 C ATOM 544 CG LEU A 37 -6.062 -0.211 -6.823 1.00 0.00 C ATOM 545 CD1 LEU A 37 -5.851 -1.213 -5.698 1.00 0.00 C ATOM 546 CD2 LEU A 37 -4.767 0.012 -7.590 1.00 0.00 C ATOM 0 H LEU A 37 -9.189 -1.180 -9.082 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.340 1.116 -7.724 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.861 -1.306 -7.194 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.720 -1.327 -8.524 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.369 0.739 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.060 -0.858 -5.038 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.775 -1.323 -5.131 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.567 -2.178 -6.118 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.991 0.351 -6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.455 -0.922 -8.057 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.925 0.767 -8.360 1.00 0.00 H new ATOM 558 N ASN A 38 -6.790 0.546 -10.583 1.00 0.00 N ATOM 559 CA ASN A 38 -5.943 1.160 -11.599 1.00 0.00 C ATOM 560 C ASN A 38 -6.582 2.435 -12.141 1.00 0.00 C ATOM 561 O ASN A 38 -5.899 3.431 -12.382 1.00 0.00 O ATOM 562 CB ASN A 38 -5.690 0.178 -12.744 1.00 0.00 C ATOM 563 CG ASN A 38 -4.457 -0.674 -12.513 1.00 0.00 C ATOM 564 OD1 ASN A 38 -3.425 -0.481 -13.157 1.00 0.00 O ATOM 565 ND2 ASN A 38 -4.558 -1.623 -11.590 1.00 0.00 N ATOM 0 H ASN A 38 -7.137 -0.381 -10.828 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.992 1.419 -11.135 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.559 -0.470 -12.862 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -5.576 0.732 -13.676 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -3.761 -2.227 -11.391 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.433 -1.748 -11.080 1.00 0.00 H new ATOM 572 N SER A 39 -7.898 2.398 -12.329 1.00 0.00 N ATOM 573 CA SER A 39 -8.629 3.549 -12.845 1.00 0.00 C ATOM 574 C SER A 39 -8.425 4.768 -11.951 1.00 0.00 C ATOM 575 O SER A 39 -8.682 5.900 -12.358 1.00 0.00 O ATOM 576 CB SER A 39 -10.121 3.226 -12.953 1.00 0.00 C ATOM 577 OG SER A 39 -10.764 4.085 -13.877 1.00 0.00 O ATOM 0 H SER A 39 -8.479 1.583 -12.132 1.00 0.00 H new ATOM 0 HA SER A 39 -8.241 3.779 -13.837 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.250 2.190 -13.265 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.589 3.325 -11.974 1.00 0.00 H new ATOM 0 HG SER A 39 -11.716 3.857 -13.928 1.00 0.00 H new ATOM 583 N ALA A 40 -7.961 4.526 -10.729 1.00 0.00 N ATOM 584 CA ALA A 40 -7.720 5.603 -9.777 1.00 0.00 C ATOM 585 C ALA A 40 -6.280 6.099 -9.861 1.00 0.00 C ATOM 586 O ALA A 40 -6.009 7.283 -9.663 1.00 0.00 O ATOM 587 CB ALA A 40 -8.038 5.139 -8.363 1.00 0.00 C ATOM 0 H ALA A 40 -7.745 3.594 -10.376 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.378 6.433 -10.032 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.853 5.954 -7.663 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.085 4.841 -8.305 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.404 4.290 -8.107 1.00 0.00 H new ATOM 593 N ILE A 41 -5.361 5.185 -10.156 1.00 0.00 N ATOM 594 CA ILE A 41 -3.949 5.531 -10.267 1.00 0.00 C ATOM 595 C ILE A 41 -3.719 6.554 -11.374 1.00 0.00 C ATOM 596 O ILE A 41 -3.150 7.619 -11.139 1.00 0.00 O ATOM 597 CB ILE A 41 -3.086 4.286 -10.546 1.00 0.00 C ATOM 598 CG1 ILE A 41 -3.292 3.240 -9.449 1.00 0.00 C ATOM 599 CG2 ILE A 41 -1.618 4.673 -10.648 1.00 0.00 C ATOM 600 CD1 ILE A 41 -2.597 1.925 -9.730 1.00 0.00 C ATOM 0 H ILE A 41 -5.569 4.200 -10.322 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.653 5.962 -9.311 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.395 3.853 -11.497 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.926 3.640 -8.503 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.360 3.059 -9.327 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -1.020 3.783 -10.845 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.486 5.387 -11.461 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.295 5.126 -9.711 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.786 1.231 -8.911 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.980 1.503 -10.659 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.524 2.093 -9.823 1.00 0.00 H new ATOM 612 N GLU A 42 -4.167 6.222 -12.582 1.00 0.00 N ATOM 613 CA GLU A 42 -4.010 7.114 -13.725 1.00 0.00 C ATOM 614 C GLU A 42 -4.666 8.465 -13.455 1.00 0.00 C ATOM 615 O GLU A 42 -4.015 9.507 -13.522 1.00 0.00 O ATOM 616 CB GLU A 42 -4.616 6.482 -14.980 1.00 0.00 C ATOM 617 CG GLU A 42 -3.730 5.424 -15.617 1.00 0.00 C ATOM 618 CD GLU A 42 -4.299 4.895 -16.919 1.00 0.00 C ATOM 619 OE1 GLU A 42 -5.261 4.100 -16.867 1.00 0.00 O ATOM 620 OE2 GLU A 42 -3.782 5.276 -17.990 1.00 0.00 O ATOM 0 H GLU A 42 -4.640 5.344 -12.793 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.944 7.273 -13.886 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.576 6.034 -14.724 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.815 7.265 -15.711 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.742 5.846 -15.801 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.599 4.597 -14.919 1.00 0.00 H new ATOM 627 N ASN A 43 -5.960 8.438 -13.151 1.00 0.00 N ATOM 628 CA ASN A 43 -6.705 9.660 -12.872 1.00 0.00 C ATOM 629 C ASN A 43 -5.837 10.668 -12.124 1.00 0.00 C ATOM 630 O ASN A 43 -6.020 11.879 -12.255 1.00 0.00 O ATOM 631 CB ASN A 43 -7.958 9.343 -12.054 1.00 0.00 C ATOM 632 CG ASN A 43 -9.145 8.989 -12.929 1.00 0.00 C ATOM 633 OD1 ASN A 43 -9.190 9.343 -14.108 1.00 0.00 O ATOM 634 ND2 ASN A 43 -10.116 8.288 -12.354 1.00 0.00 N ATOM 0 H ASN A 43 -6.514 7.583 -13.092 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.003 10.099 -13.824 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.748 8.514 -11.379 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.211 10.203 -11.434 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.940 8.022 -12.892 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -10.037 8.016 -11.374 1.00 0.00 H new ATOM 641 N LEU A 44 -4.893 10.160 -11.341 1.00 0.00 N ATOM 642 CA LEU A 44 -3.995 11.015 -10.571 1.00 0.00 C ATOM 643 C LEU A 44 -2.741 11.349 -11.373 1.00 0.00 C ATOM 644 O LEU A 44 -2.258 12.480 -11.345 1.00 0.00 O ATOM 645 CB LEU A 44 -3.608 10.331 -9.259 1.00 0.00 C ATOM 646 CG LEU A 44 -4.758 10.020 -8.300 1.00 0.00 C ATOM 647 CD1 LEU A 44 -4.307 9.041 -7.227 1.00 0.00 C ATOM 648 CD2 LEU A 44 -5.288 11.299 -7.669 1.00 0.00 C ATOM 0 H LEU A 44 -4.729 9.160 -11.222 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.520 11.944 -10.348 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.096 9.398 -9.496 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.890 10.965 -8.740 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.565 9.558 -8.869 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.138 8.831 -6.554 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.977 8.114 -7.696 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.483 9.475 -6.662 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.106 11.058 -6.990 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.488 11.790 -7.114 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.650 11.967 -8.450 1.00 0.00 H new ATOM 660 N MET A 45 -2.220 10.357 -12.088 1.00 0.00 N ATOM 661 CA MET A 45 -1.024 10.547 -12.900 1.00 0.00 C ATOM 662 C MET A 45 -1.280 11.553 -14.018 1.00 0.00 C ATOM 663 O MET A 45 -0.456 12.431 -14.278 1.00 0.00 O ATOM 664 CB MET A 45 -0.568 9.213 -13.495 1.00 0.00 C ATOM 665 CG MET A 45 -0.287 8.146 -12.449 1.00 0.00 C ATOM 666 SD MET A 45 0.876 6.895 -13.027 1.00 0.00 S ATOM 667 CE MET A 45 2.121 6.970 -11.742 1.00 0.00 C ATOM 0 H MET A 45 -2.607 9.414 -12.121 1.00 0.00 H new ATOM 0 HA MET A 45 -0.237 10.938 -12.256 1.00 0.00 H new ATOM 0 HB2 MET A 45 -1.335 8.848 -14.178 1.00 0.00 H new ATOM 0 HB3 MET A 45 0.333 9.377 -14.086 1.00 0.00 H new ATOM 0 HG2 MET A 45 0.111 8.619 -11.551 1.00 0.00 H new ATOM 0 HG3 MET A 45 -1.223 7.664 -12.167 1.00 0.00 H new ATOM 0 HE1 MET A 45 3.103 6.778 -12.175 1.00 0.00 H new ATOM 0 HE2 MET A 45 2.113 7.960 -11.285 1.00 0.00 H new ATOM 0 HE3 MET A 45 1.906 6.218 -10.983 1.00 0.00 H new ATOM 677 N THR A 46 -2.428 11.421 -14.676 1.00 0.00 N ATOM 678 CA THR A 46 -2.791 12.318 -15.766 1.00 0.00 C ATOM 679 C THR A 46 -2.890 13.760 -15.282 1.00 0.00 C ATOM 680 O THR A 46 -2.688 14.699 -16.052 1.00 0.00 O ATOM 681 CB THR A 46 -4.132 11.910 -16.405 1.00 0.00 C ATOM 682 OG1 THR A 46 -4.466 12.816 -17.463 1.00 0.00 O ATOM 683 CG2 THR A 46 -5.245 11.901 -15.368 1.00 0.00 C ATOM 0 H THR A 46 -3.122 10.702 -14.473 1.00 0.00 H new ATOM 0 HA THR A 46 -2.002 12.242 -16.514 1.00 0.00 H new ATOM 0 HB THR A 46 -4.026 10.903 -16.809 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.319 12.549 -17.865 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.182 11.610 -15.843 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.001 11.189 -14.579 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.350 12.897 -14.938 1.00 0.00 H new ATOM 691 N SER A 47 -3.201 13.930 -14.000 1.00 0.00 N ATOM 692 CA SER A 47 -3.329 15.259 -13.414 1.00 0.00 C ATOM 693 C SER A 47 -1.975 15.776 -12.940 1.00 0.00 C ATOM 694 O SER A 47 -1.471 16.781 -13.442 1.00 0.00 O ATOM 695 CB SER A 47 -4.315 15.230 -12.245 1.00 0.00 C ATOM 696 OG SER A 47 -3.935 14.264 -11.280 1.00 0.00 O ATOM 0 H SER A 47 -3.369 13.164 -13.348 1.00 0.00 H new ATOM 0 HA SER A 47 -3.707 15.934 -14.182 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.361 16.215 -11.780 1.00 0.00 H new ATOM 0 HB3 SER A 47 -5.315 15.005 -12.615 1.00 0.00 H new ATOM 0 HG SER A 47 -3.317 13.621 -11.686 1.00 0.00 H new ATOM 702 N SER A 48 -1.390 15.082 -11.969 1.00 0.00 N ATOM 703 CA SER A 48 -0.096 15.472 -11.423 1.00 0.00 C ATOM 704 C SER A 48 1.031 14.672 -12.070 1.00 0.00 C ATOM 705 O SER A 48 0.850 13.511 -12.438 1.00 0.00 O ATOM 706 CB SER A 48 -0.076 15.268 -9.907 1.00 0.00 C ATOM 707 OG SER A 48 -1.028 16.100 -9.268 1.00 0.00 O ATOM 0 H SER A 48 -1.792 14.246 -11.544 1.00 0.00 H new ATOM 0 HA SER A 48 0.059 16.528 -11.643 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.287 14.224 -9.675 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.920 15.486 -9.521 1.00 0.00 H new ATOM 0 HG SER A 48 -0.566 16.826 -8.799 1.00 0.00 H new ATOM 713 N SER A 49 2.193 15.301 -12.205 1.00 0.00 N ATOM 714 CA SER A 49 3.349 14.650 -12.811 1.00 0.00 C ATOM 715 C SER A 49 4.212 13.976 -11.749 1.00 0.00 C ATOM 716 O SER A 49 4.008 14.170 -10.550 1.00 0.00 O ATOM 717 CB SER A 49 4.184 15.668 -13.591 1.00 0.00 C ATOM 718 OG SER A 49 3.702 15.815 -14.915 1.00 0.00 O ATOM 0 H SER A 49 2.360 16.261 -11.903 1.00 0.00 H new ATOM 0 HA SER A 49 2.985 13.886 -13.498 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.157 16.631 -13.082 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.226 15.348 -13.613 1.00 0.00 H new ATOM 0 HG SER A 49 4.251 16.472 -15.392 1.00 0.00 H new ATOM 724 N LYS A 50 5.177 13.180 -12.197 1.00 0.00 N ATOM 725 CA LYS A 50 6.073 12.476 -11.288 1.00 0.00 C ATOM 726 C LYS A 50 6.757 13.451 -10.334 1.00 0.00 C ATOM 727 O LYS A 50 6.892 13.176 -9.143 1.00 0.00 O ATOM 728 CB LYS A 50 7.126 11.696 -12.078 1.00 0.00 C ATOM 729 CG LYS A 50 8.147 10.993 -11.201 1.00 0.00 C ATOM 730 CD LYS A 50 8.699 9.748 -11.876 1.00 0.00 C ATOM 731 CE LYS A 50 9.562 8.934 -10.925 1.00 0.00 C ATOM 732 NZ LYS A 50 10.556 8.099 -11.654 1.00 0.00 N ATOM 0 H LYS A 50 5.358 13.006 -13.186 1.00 0.00 H new ATOM 0 HA LYS A 50 5.477 11.777 -10.700 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.625 10.956 -12.703 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.645 12.380 -12.749 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.964 11.677 -10.973 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.686 10.719 -10.252 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.875 9.133 -12.237 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.288 10.036 -12.747 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.083 9.606 -10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.925 8.292 -10.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.124 7.560 -10.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.059 7.440 -12.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.180 8.713 -12.215 1.00 0.00 H new ATOM 746 N GLU A 51 7.185 14.591 -10.868 1.00 0.00 N ATOM 747 CA GLU A 51 7.854 15.606 -10.063 1.00 0.00 C ATOM 748 C GLU A 51 6.864 16.305 -9.135 1.00 0.00 C ATOM 749 O GLU A 51 7.219 16.725 -8.034 1.00 0.00 O ATOM 750 CB GLU A 51 8.538 16.636 -10.965 1.00 0.00 C ATOM 751 CG GLU A 51 7.587 17.329 -11.926 1.00 0.00 C ATOM 752 CD GLU A 51 8.309 18.220 -12.919 1.00 0.00 C ATOM 753 OE1 GLU A 51 8.982 19.175 -12.478 1.00 0.00 O ATOM 754 OE2 GLU A 51 8.199 17.963 -14.136 1.00 0.00 O ATOM 0 H GLU A 51 7.080 14.834 -11.853 1.00 0.00 H new ATOM 0 HA GLU A 51 8.609 15.109 -9.453 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.023 17.387 -10.342 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.323 16.141 -11.537 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.013 16.578 -12.468 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.874 17.927 -11.358 1.00 0.00 H new ATOM 761 N ASP A 52 5.621 16.426 -9.589 1.00 0.00 N ATOM 762 CA ASP A 52 4.579 17.073 -8.801 1.00 0.00 C ATOM 763 C ASP A 52 4.347 16.328 -7.490 1.00 0.00 C ATOM 764 O ASP A 52 3.933 16.919 -6.493 1.00 0.00 O ATOM 765 CB ASP A 52 3.276 17.143 -9.599 1.00 0.00 C ATOM 766 CG ASP A 52 2.253 18.060 -8.958 1.00 0.00 C ATOM 767 OD1 ASP A 52 2.429 19.294 -9.040 1.00 0.00 O ATOM 768 OD2 ASP A 52 1.277 17.545 -8.375 1.00 0.00 O ATOM 0 H ASP A 52 5.311 16.084 -10.499 1.00 0.00 H new ATOM 0 HA ASP A 52 4.909 18.086 -8.569 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.490 17.492 -10.609 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.855 16.142 -9.691 1.00 0.00 H new ATOM 773 N TRP A 53 4.615 15.027 -7.500 1.00 0.00 N ATOM 774 CA TRP A 53 4.434 14.200 -6.312 1.00 0.00 C ATOM 775 C TRP A 53 5.565 14.426 -5.315 1.00 0.00 C ATOM 776 O TRP A 53 6.725 14.104 -5.573 1.00 0.00 O ATOM 777 CB TRP A 53 4.366 12.722 -6.699 1.00 0.00 C ATOM 778 CG TRP A 53 3.640 12.479 -7.988 1.00 0.00 C ATOM 779 CD1 TRP A 53 2.632 13.233 -8.516 1.00 0.00 C ATOM 780 CD2 TRP A 53 3.866 11.406 -8.909 1.00 0.00 C ATOM 781 NE1 TRP A 53 2.217 12.694 -9.710 1.00 0.00 N ATOM 782 CE2 TRP A 53 2.959 11.573 -9.974 1.00 0.00 C ATOM 783 CE3 TRP A 53 4.748 10.322 -8.939 1.00 0.00 C ATOM 784 CZ2 TRP A 53 2.910 10.696 -11.054 1.00 0.00 C ATOM 785 CZ3 TRP A 53 4.697 9.452 -10.012 1.00 0.00 C ATOM 786 CH2 TRP A 53 3.784 9.643 -11.057 1.00 0.00 C ATOM 0 H TRP A 53 4.958 14.522 -8.317 1.00 0.00 H new ATOM 0 HA TRP A 53 3.495 14.487 -5.839 1.00 0.00 H new ATOM 0 HB2 TRP A 53 5.379 12.328 -6.781 1.00 0.00 H new ATOM 0 HB3 TRP A 53 3.872 12.167 -5.902 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.221 14.123 -8.062 1.00 0.00 H new ATOM 0 HE1 TRP A 53 1.477 13.068 -10.304 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.456 10.167 -8.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.207 10.841 -11.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.373 8.610 -10.045 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.770 8.945 -11.881 1.00 0.00 H new ATOM 797 N PRO A 54 5.223 14.992 -4.148 1.00 0.00 N ATOM 798 CA PRO A 54 6.197 15.272 -3.088 1.00 0.00 C ATOM 799 C PRO A 54 6.720 13.999 -2.431 1.00 0.00 C ATOM 800 O PRO A 54 6.186 12.912 -2.649 1.00 0.00 O ATOM 801 CB PRO A 54 5.397 16.104 -2.083 1.00 0.00 C ATOM 802 CG PRO A 54 3.978 15.706 -2.305 1.00 0.00 C ATOM 803 CD PRO A 54 3.859 15.401 -3.773 1.00 0.00 C ATOM 0 HA PRO A 54 7.083 15.778 -3.471 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.711 15.897 -1.060 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.539 17.172 -2.251 1.00 0.00 H new ATOM 0 HG2 PRO A 54 3.718 14.835 -1.703 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.298 16.508 -2.016 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.136 14.608 -3.961 1.00 0.00 H new ATOM 0 HD3 PRO A 54 3.531 16.273 -4.339 1.00 0.00 H new ATOM 811 N SER A 55 7.766 14.143 -1.624 1.00 0.00 N ATOM 812 CA SER A 55 8.364 13.004 -0.937 1.00 0.00 C ATOM 813 C SER A 55 7.798 12.863 0.473 1.00 0.00 C ATOM 814 O SER A 55 7.840 13.801 1.269 1.00 0.00 O ATOM 815 CB SER A 55 9.884 13.159 -0.875 1.00 0.00 C ATOM 816 OG SER A 55 10.479 12.854 -2.125 1.00 0.00 O ATOM 0 H SER A 55 8.217 15.037 -1.430 1.00 0.00 H new ATOM 0 HA SER A 55 8.121 12.103 -1.500 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.137 14.179 -0.587 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.289 12.501 -0.106 1.00 0.00 H new ATOM 0 HG SER A 55 11.451 12.962 -2.060 1.00 0.00 H new ATOM 822 N VAL A 56 7.268 11.681 0.776 1.00 0.00 N ATOM 823 CA VAL A 56 6.694 11.415 2.089 1.00 0.00 C ATOM 824 C VAL A 56 7.173 10.075 2.637 1.00 0.00 C ATOM 825 O VAL A 56 7.578 9.193 1.880 1.00 0.00 O ATOM 826 CB VAL A 56 5.155 11.416 2.040 1.00 0.00 C ATOM 827 CG1 VAL A 56 4.637 12.765 1.565 1.00 0.00 C ATOM 828 CG2 VAL A 56 4.650 10.296 1.143 1.00 0.00 C ATOM 0 H VAL A 56 7.225 10.893 0.129 1.00 0.00 H new ATOM 0 HA VAL A 56 7.029 12.215 2.749 1.00 0.00 H new ATOM 0 HB VAL A 56 4.776 11.242 3.047 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.548 12.747 1.537 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.969 13.544 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.023 12.972 0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.560 10.312 1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.036 10.436 0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.991 9.337 1.532 1.00 0.00 H new ATOM 838 N ASN A 57 7.124 9.930 3.957 1.00 0.00 N ATOM 839 CA ASN A 57 7.553 8.697 4.607 1.00 0.00 C ATOM 840 C ASN A 57 6.356 7.809 4.934 1.00 0.00 C ATOM 841 O ASN A 57 5.461 8.208 5.679 1.00 0.00 O ATOM 842 CB ASN A 57 8.333 9.013 5.884 1.00 0.00 C ATOM 843 CG ASN A 57 9.342 10.128 5.685 1.00 0.00 C ATOM 844 OD1 ASN A 57 10.115 10.116 4.727 1.00 0.00 O ATOM 845 ND2 ASN A 57 9.339 11.098 6.592 1.00 0.00 N ATOM 0 H ASN A 57 6.792 10.651 4.598 1.00 0.00 H new ATOM 0 HA ASN A 57 8.203 8.159 3.917 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.635 9.295 6.672 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.850 8.115 6.222 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.996 11.874 6.511 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.680 11.067 7.370 1.00 0.00 H new ATOM 852 N MET A 58 6.348 6.605 4.374 1.00 0.00 N ATOM 853 CA MET A 58 5.262 5.660 4.608 1.00 0.00 C ATOM 854 C MET A 58 5.531 4.821 5.853 1.00 0.00 C ATOM 855 O MET A 58 6.367 3.919 5.837 1.00 0.00 O ATOM 856 CB MET A 58 5.080 4.748 3.394 1.00 0.00 C ATOM 857 CG MET A 58 4.015 3.681 3.589 1.00 0.00 C ATOM 858 SD MET A 58 3.648 2.780 2.071 1.00 0.00 S ATOM 859 CE MET A 58 2.907 4.075 1.080 1.00 0.00 C ATOM 0 H MET A 58 7.081 6.260 3.755 1.00 0.00 H new ATOM 0 HA MET A 58 4.346 6.229 4.766 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.818 5.357 2.529 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.030 4.264 3.168 1.00 0.00 H new ATOM 0 HG2 MET A 58 4.346 2.978 4.353 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.102 4.148 3.960 1.00 0.00 H new ATOM 0 HE1 MET A 58 1.930 3.747 0.725 1.00 0.00 H new ATOM 0 HE2 MET A 58 2.790 4.974 1.685 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.549 4.293 0.226 1.00 0.00 H new ATOM 869 N ASN A 59 4.816 5.125 6.932 1.00 0.00 N ATOM 870 CA ASN A 59 4.978 4.399 8.186 1.00 0.00 C ATOM 871 C ASN A 59 4.034 3.202 8.248 1.00 0.00 C ATOM 872 O ASN A 59 2.861 3.340 8.592 1.00 0.00 O ATOM 873 CB ASN A 59 4.720 5.328 9.374 1.00 0.00 C ATOM 874 CG ASN A 59 5.597 6.564 9.343 1.00 0.00 C ATOM 875 OD1 ASN A 59 6.569 6.669 10.092 1.00 0.00 O ATOM 876 ND2 ASN A 59 5.257 7.509 8.473 1.00 0.00 N ATOM 0 H ASN A 59 4.119 5.869 6.963 1.00 0.00 H new ATOM 0 HA ASN A 59 6.004 4.033 8.235 1.00 0.00 H new ATOM 0 HB2 ASN A 59 3.672 5.629 9.375 1.00 0.00 H new ATOM 0 HB3 ASN A 59 4.896 4.784 10.302 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.810 8.364 8.406 1.00 0.00 H new ATOM 0 HD22 ASN A 59 4.443 7.380 7.872 1.00 0.00 H new ATOM 883 N VAL A 60 4.556 2.026 7.912 1.00 0.00 N ATOM 884 CA VAL A 60 3.761 0.804 7.930 1.00 0.00 C ATOM 885 C VAL A 60 3.969 0.033 9.229 1.00 0.00 C ATOM 886 O VAL A 60 4.953 -0.690 9.382 1.00 0.00 O ATOM 887 CB VAL A 60 4.111 -0.111 6.741 1.00 0.00 C ATOM 888 CG1 VAL A 60 3.306 -1.400 6.805 1.00 0.00 C ATOM 889 CG2 VAL A 60 3.871 0.613 5.425 1.00 0.00 C ATOM 0 H VAL A 60 5.526 1.894 7.624 1.00 0.00 H new ATOM 0 HA VAL A 60 2.716 1.105 7.852 1.00 0.00 H new ATOM 0 HB VAL A 60 5.169 -0.368 6.800 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.566 -2.034 5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.532 -1.924 7.733 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.242 -1.167 6.770 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.123 -0.047 4.595 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.822 0.901 5.354 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.496 1.505 5.381 1.00 0.00 H new ATOM 899 N ALA A 61 3.036 0.192 10.161 1.00 0.00 N ATOM 900 CA ALA A 61 3.115 -0.491 11.447 1.00 0.00 C ATOM 901 C ALA A 61 2.662 -1.942 11.326 1.00 0.00 C ATOM 902 O ALA A 61 2.296 -2.400 10.243 1.00 0.00 O ATOM 903 CB ALA A 61 2.279 0.241 12.486 1.00 0.00 C ATOM 0 H ALA A 61 2.216 0.788 10.050 1.00 0.00 H new ATOM 0 HA ALA A 61 4.156 -0.489 11.769 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.347 -0.280 13.441 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.651 1.259 12.601 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.239 0.269 12.162 1.00 0.00 H new ATOM 909 N ASP A 62 2.689 -2.660 12.443 1.00 0.00 N ATOM 910 CA ASP A 62 2.281 -4.060 12.462 1.00 0.00 C ATOM 911 C ASP A 62 0.931 -4.241 11.775 1.00 0.00 C ATOM 912 O ASP A 62 0.830 -4.921 10.754 1.00 0.00 O ATOM 913 CB ASP A 62 2.207 -4.572 13.902 1.00 0.00 C ATOM 914 CG ASP A 62 1.714 -6.003 13.982 1.00 0.00 C ATOM 915 OD1 ASP A 62 2.536 -6.926 13.801 1.00 0.00 O ATOM 916 OD2 ASP A 62 0.505 -6.201 14.228 1.00 0.00 O ATOM 0 H ASP A 62 2.989 -2.296 13.347 1.00 0.00 H new ATOM 0 HA ASP A 62 3.027 -4.638 11.917 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.194 -4.504 14.360 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.543 -3.929 14.480 1.00 0.00 H new ATOM 921 N ALA A 63 -0.103 -3.630 12.343 1.00 0.00 N ATOM 922 CA ALA A 63 -1.447 -3.723 11.785 1.00 0.00 C ATOM 923 C ALA A 63 -2.018 -2.340 11.496 1.00 0.00 C ATOM 924 O ALA A 63 -3.214 -2.102 11.667 1.00 0.00 O ATOM 925 CB ALA A 63 -2.360 -4.486 12.733 1.00 0.00 C ATOM 0 H ALA A 63 -0.036 -3.065 13.190 1.00 0.00 H new ATOM 0 HA ALA A 63 -1.386 -4.266 10.842 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.360 -4.548 12.304 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.968 -5.491 12.885 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.407 -3.966 13.690 1.00 0.00 H new ATOM 931 N THR A 64 -1.156 -1.428 11.056 1.00 0.00 N ATOM 932 CA THR A 64 -1.575 -0.067 10.745 1.00 0.00 C ATOM 933 C THR A 64 -0.647 0.572 9.718 1.00 0.00 C ATOM 934 O THR A 64 0.535 0.238 9.642 1.00 0.00 O ATOM 935 CB THR A 64 -1.609 0.813 12.008 1.00 0.00 C ATOM 936 OG1 THR A 64 -2.230 0.102 13.084 1.00 0.00 O ATOM 937 CG2 THR A 64 -2.364 2.107 11.746 1.00 0.00 C ATOM 0 H THR A 64 -0.163 -1.608 10.907 1.00 0.00 H new ATOM 0 HA THR A 64 -2.581 -0.133 10.331 1.00 0.00 H new ATOM 0 HB THR A 64 -0.583 1.059 12.280 1.00 0.00 H new ATOM 0 HG1 THR A 64 -2.246 0.668 13.884 1.00 0.00 H new ATOM 0 HG21 THR A 64 -2.375 2.712 12.653 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.871 2.660 10.946 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.388 1.877 11.451 1.00 0.00 H new ATOM 945 N VAL A 65 -1.190 1.495 8.930 1.00 0.00 N ATOM 946 CA VAL A 65 -0.410 2.183 7.909 1.00 0.00 C ATOM 947 C VAL A 65 -0.675 3.684 7.933 1.00 0.00 C ATOM 948 O VAL A 65 -1.669 4.160 7.384 1.00 0.00 O ATOM 949 CB VAL A 65 -0.724 1.641 6.502 1.00 0.00 C ATOM 950 CG1 VAL A 65 0.001 2.455 5.441 1.00 0.00 C ATOM 951 CG2 VAL A 65 -0.351 0.169 6.403 1.00 0.00 C ATOM 0 H VAL A 65 -2.167 1.783 8.980 1.00 0.00 H new ATOM 0 HA VAL A 65 0.640 1.998 8.136 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.796 1.734 6.327 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.233 2.057 4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.320 3.495 5.498 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.076 2.397 5.610 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.580 -0.198 5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.715 0.050 6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.921 -0.401 7.137 1.00 0.00 H new ATOM 961 N THR A 66 0.222 4.428 8.574 1.00 0.00 N ATOM 962 CA THR A 66 0.085 5.875 8.672 1.00 0.00 C ATOM 963 C THR A 66 1.023 6.583 7.700 1.00 0.00 C ATOM 964 O THR A 66 2.116 6.095 7.411 1.00 0.00 O ATOM 965 CB THR A 66 0.375 6.372 10.101 1.00 0.00 C ATOM 966 OG1 THR A 66 -0.332 5.568 11.052 1.00 0.00 O ATOM 967 CG2 THR A 66 -0.032 7.829 10.260 1.00 0.00 C ATOM 0 H THR A 66 1.051 4.051 9.033 1.00 0.00 H new ATOM 0 HA THR A 66 -0.947 6.113 8.415 1.00 0.00 H new ATOM 0 HB THR A 66 1.447 6.289 10.280 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.141 5.889 11.958 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.182 8.158 11.277 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.529 8.442 9.555 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.099 7.932 10.062 1.00 0.00 H new ATOM 975 N VAL A 67 0.590 7.735 7.200 1.00 0.00 N ATOM 976 CA VAL A 67 1.393 8.511 6.262 1.00 0.00 C ATOM 977 C VAL A 67 1.858 9.821 6.889 1.00 0.00 C ATOM 978 O VAL A 67 1.044 10.675 7.242 1.00 0.00 O ATOM 979 CB VAL A 67 0.607 8.822 4.974 1.00 0.00 C ATOM 980 CG1 VAL A 67 1.359 9.831 4.119 1.00 0.00 C ATOM 981 CG2 VAL A 67 0.338 7.544 4.193 1.00 0.00 C ATOM 0 H VAL A 67 -0.312 8.152 7.428 1.00 0.00 H new ATOM 0 HA VAL A 67 2.262 7.903 6.011 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.352 9.260 5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.788 10.038 3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.495 10.755 4.681 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.333 9.424 3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.218 7.782 3.286 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.285 7.075 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.246 6.858 4.807 1.00 0.00 H new ATOM 991 N ILE A 68 3.171 9.973 7.022 1.00 0.00 N ATOM 992 CA ILE A 68 3.744 11.180 7.605 1.00 0.00 C ATOM 993 C ILE A 68 4.502 11.989 6.558 1.00 0.00 C ATOM 994 O ILE A 68 5.366 11.462 5.857 1.00 0.00 O ATOM 995 CB ILE A 68 4.697 10.845 8.768 1.00 0.00 C ATOM 996 CG1 ILE A 68 3.939 10.128 9.887 1.00 0.00 C ATOM 997 CG2 ILE A 68 5.355 12.112 9.294 1.00 0.00 C ATOM 998 CD1 ILE A 68 4.840 9.577 10.970 1.00 0.00 C ATOM 0 H ILE A 68 3.858 9.276 6.734 1.00 0.00 H new ATOM 0 HA ILE A 68 2.912 11.772 7.987 1.00 0.00 H new ATOM 0 HB ILE A 68 5.477 10.179 8.399 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.228 10.822 10.335 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.360 9.311 9.457 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.026 11.860 10.115 1.00 0.00 H new ATOM 0 HG22 ILE A 68 5.924 12.586 8.494 1.00 0.00 H new ATOM 0 HG23 ILE A 68 4.588 12.800 9.650 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.235 9.082 11.730 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.535 8.859 10.535 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.400 10.393 11.427 1.00 0.00 H new ATOM 1010 N SER A 69 4.174 13.273 6.460 1.00 0.00 N ATOM 1011 CA SER A 69 4.822 14.156 5.497 1.00 0.00 C ATOM 1012 C SER A 69 6.292 14.359 5.850 1.00 0.00 C ATOM 1013 O SER A 69 6.625 14.738 6.972 1.00 0.00 O ATOM 1014 CB SER A 69 4.106 15.507 5.450 1.00 0.00 C ATOM 1015 OG SER A 69 4.261 16.122 4.183 1.00 0.00 O ATOM 0 H SER A 69 3.464 13.725 7.035 1.00 0.00 H new ATOM 0 HA SER A 69 4.763 13.687 4.515 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.046 15.368 5.663 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.504 16.160 6.226 1.00 0.00 H new ATOM 0 HG SER A 69 3.793 16.983 4.178 1.00 0.00 H new ATOM 1021 N GLU A 70 7.167 14.102 4.883 1.00 0.00 N ATOM 1022 CA GLU A 70 8.602 14.255 5.091 1.00 0.00 C ATOM 1023 C GLU A 70 8.909 15.550 5.837 1.00 0.00 C ATOM 1024 O GLU A 70 9.909 15.650 6.548 1.00 0.00 O ATOM 1025 CB GLU A 70 9.340 14.239 3.751 1.00 0.00 C ATOM 1026 CG GLU A 70 10.852 14.286 3.888 1.00 0.00 C ATOM 1027 CD GLU A 70 11.524 14.962 2.708 1.00 0.00 C ATOM 1028 OE1 GLU A 70 11.765 14.278 1.692 1.00 0.00 O ATOM 1029 OE2 GLU A 70 11.808 16.175 2.801 1.00 0.00 O ATOM 0 H GLU A 70 6.907 13.787 3.948 1.00 0.00 H new ATOM 0 HA GLU A 70 8.946 13.416 5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.061 13.339 3.203 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.011 15.090 3.155 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.114 14.817 4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 70 11.236 13.271 3.987 1.00 0.00 H new ATOM 1036 N LYS A 71 8.040 16.542 5.670 1.00 0.00 N ATOM 1037 CA LYS A 71 8.215 17.832 6.326 1.00 0.00 C ATOM 1038 C LYS A 71 8.343 17.661 7.836 1.00 0.00 C ATOM 1039 O LYS A 71 9.373 17.989 8.422 1.00 0.00 O ATOM 1040 CB LYS A 71 7.037 18.755 6.004 1.00 0.00 C ATOM 1041 CG LYS A 71 7.120 19.388 4.626 1.00 0.00 C ATOM 1042 CD LYS A 71 7.928 20.674 4.651 1.00 0.00 C ATOM 1043 CE LYS A 71 7.517 21.613 3.526 1.00 0.00 C ATOM 1044 NZ LYS A 71 8.488 22.729 3.353 1.00 0.00 N ATOM 0 H LYS A 71 7.207 16.477 5.085 1.00 0.00 H new ATOM 0 HA LYS A 71 9.134 18.282 5.950 1.00 0.00 H new ATOM 0 HB2 LYS A 71 6.110 18.187 6.078 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.988 19.544 6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.575 18.685 3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.115 19.596 4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 71 7.791 21.172 5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 71 8.989 20.440 4.562 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.439 21.052 2.595 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.528 22.021 3.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.173 23.346 2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.544 23.280 4.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.426 22.341 3.127 1.00 0.00 H new ATOM 1058 N ASN A 72 7.289 17.144 8.460 1.00 0.00 N ATOM 1059 CA ASN A 72 7.284 16.929 9.902 1.00 0.00 C ATOM 1060 C ASN A 72 6.804 15.520 10.241 1.00 0.00 C ATOM 1061 O ASN A 72 6.200 14.844 9.409 1.00 0.00 O ATOM 1062 CB ASN A 72 6.391 17.963 10.591 1.00 0.00 C ATOM 1063 CG ASN A 72 6.527 19.343 9.977 1.00 0.00 C ATOM 1064 OD1 ASN A 72 7.594 19.955 10.028 1.00 0.00 O ATOM 1065 ND2 ASN A 72 5.443 19.840 9.393 1.00 0.00 N ATOM 0 H ASN A 72 6.428 16.866 7.989 1.00 0.00 H new ATOM 0 HA ASN A 72 8.306 17.043 10.264 1.00 0.00 H new ATOM 0 HB2 ASN A 72 5.352 17.641 10.528 1.00 0.00 H new ATOM 0 HB3 ASN A 72 6.646 18.012 11.650 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.474 20.764 8.963 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.580 19.297 9.374 1.00 0.00 H new ATOM 1072 N GLU A 73 7.078 15.086 11.467 1.00 0.00 N ATOM 1073 CA GLU A 73 6.673 13.759 11.914 1.00 0.00 C ATOM 1074 C GLU A 73 5.239 13.773 12.434 1.00 0.00 C ATOM 1075 O GLU A 73 4.543 12.759 12.392 1.00 0.00 O ATOM 1076 CB GLU A 73 7.618 13.255 13.008 1.00 0.00 C ATOM 1077 CG GLU A 73 7.167 11.955 13.651 1.00 0.00 C ATOM 1078 CD GLU A 73 7.892 11.664 14.950 1.00 0.00 C ATOM 1079 OE1 GLU A 73 9.113 11.916 15.018 1.00 0.00 O ATOM 1080 OE2 GLU A 73 7.238 11.184 15.900 1.00 0.00 O ATOM 0 H GLU A 73 7.578 15.633 12.167 1.00 0.00 H new ATOM 0 HA GLU A 73 6.724 13.085 11.059 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.611 13.114 12.582 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.708 14.020 13.779 1.00 0.00 H new ATOM 0 HG2 GLU A 73 6.095 12.001 13.840 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.333 11.133 12.955 1.00 0.00 H new ATOM 1087 N GLU A 74 4.804 14.930 12.923 1.00 0.00 N ATOM 1088 CA GLU A 74 3.453 15.076 13.452 1.00 0.00 C ATOM 1089 C GLU A 74 2.457 15.353 12.330 1.00 0.00 C ATOM 1090 O GLU A 74 1.251 15.430 12.562 1.00 0.00 O ATOM 1091 CB GLU A 74 3.404 16.206 14.483 1.00 0.00 C ATOM 1092 CG GLU A 74 3.700 17.576 13.898 1.00 0.00 C ATOM 1093 CD GLU A 74 4.197 18.560 14.939 1.00 0.00 C ATOM 1094 OE1 GLU A 74 5.426 18.626 15.152 1.00 0.00 O ATOM 1095 OE2 GLU A 74 3.359 19.262 15.541 1.00 0.00 O ATOM 0 H GLU A 74 5.367 15.779 12.964 1.00 0.00 H new ATOM 0 HA GLU A 74 3.177 14.140 13.937 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.417 16.223 14.945 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.123 15.995 15.275 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.448 17.477 13.111 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.797 17.971 13.432 1.00 0.00 H new ATOM 1102 N GLU A 75 2.971 15.502 11.113 1.00 0.00 N ATOM 1103 CA GLU A 75 2.126 15.772 9.955 1.00 0.00 C ATOM 1104 C GLU A 75 1.625 14.472 9.333 1.00 0.00 C ATOM 1105 O GLU A 75 2.323 13.842 8.538 1.00 0.00 O ATOM 1106 CB GLU A 75 2.896 16.586 8.913 1.00 0.00 C ATOM 1107 CG GLU A 75 2.157 16.742 7.595 1.00 0.00 C ATOM 1108 CD GLU A 75 0.899 17.578 7.727 1.00 0.00 C ATOM 1109 OE1 GLU A 75 1.006 18.822 7.700 1.00 0.00 O ATOM 1110 OE2 GLU A 75 -0.194 16.988 7.857 1.00 0.00 O ATOM 0 H GLU A 75 3.967 15.440 10.903 1.00 0.00 H new ATOM 0 HA GLU A 75 1.265 16.349 10.292 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.108 17.575 9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 75 3.857 16.106 8.727 1.00 0.00 H new ATOM 0 HG2 GLU A 75 2.820 17.203 6.863 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.895 15.756 7.211 1.00 0.00 H new ATOM 1117 N VAL A 76 0.410 14.077 9.700 1.00 0.00 N ATOM 1118 CA VAL A 76 -0.185 12.853 9.178 1.00 0.00 C ATOM 1119 C VAL A 76 -1.093 13.147 7.989 1.00 0.00 C ATOM 1120 O VAL A 76 -2.263 13.493 8.158 1.00 0.00 O ATOM 1121 CB VAL A 76 -0.998 12.118 10.261 1.00 0.00 C ATOM 1122 CG1 VAL A 76 -1.629 10.857 9.692 1.00 0.00 C ATOM 1123 CG2 VAL A 76 -0.117 11.790 11.457 1.00 0.00 C ATOM 0 H VAL A 76 -0.181 14.587 10.357 1.00 0.00 H new ATOM 0 HA VAL A 76 0.637 12.214 8.855 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.799 12.776 10.598 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.199 10.352 10.472 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.294 11.122 8.870 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.847 10.192 9.326 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.707 11.271 12.212 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.707 11.151 11.138 1.00 0.00 H new ATOM 0 HG23 VAL A 76 0.282 12.712 11.879 1.00 0.00 H new ATOM 1133 N LEU A 77 -0.547 13.007 6.787 1.00 0.00 N ATOM 1134 CA LEU A 77 -1.308 13.257 5.567 1.00 0.00 C ATOM 1135 C LEU A 77 -2.496 12.306 5.461 1.00 0.00 C ATOM 1136 O LEU A 77 -3.586 12.701 5.049 1.00 0.00 O ATOM 1137 CB LEU A 77 -0.407 13.104 4.340 1.00 0.00 C ATOM 1138 CG LEU A 77 0.798 14.043 4.271 1.00 0.00 C ATOM 1139 CD1 LEU A 77 1.811 13.538 3.256 1.00 0.00 C ATOM 1140 CD2 LEU A 77 0.353 15.457 3.926 1.00 0.00 C ATOM 0 H LEU A 77 0.420 12.722 6.630 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.686 14.278 5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.044 12.077 4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.013 13.257 3.447 1.00 0.00 H new ATOM 0 HG LEU A 77 1.276 14.063 5.251 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.661 14.219 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.153 12.545 3.547 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.346 13.488 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.223 16.112 3.881 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.149 15.455 2.959 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.334 15.819 4.691 1.00 0.00 H new ATOM 1152 N VAL A 78 -2.277 11.050 5.839 1.00 0.00 N ATOM 1153 CA VAL A 78 -3.330 10.043 5.790 1.00 0.00 C ATOM 1154 C VAL A 78 -3.125 8.980 6.864 1.00 0.00 C ATOM 1155 O VAL A 78 -1.993 8.620 7.185 1.00 0.00 O ATOM 1156 CB VAL A 78 -3.390 9.360 4.411 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -4.436 8.255 4.407 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -3.677 10.382 3.322 1.00 0.00 C ATOM 0 H VAL A 78 -1.380 10.706 6.182 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.272 10.561 5.971 1.00 0.00 H new ATOM 0 HB VAL A 78 -2.419 8.909 4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.464 7.784 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.180 7.509 5.160 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.414 8.679 4.634 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.716 9.882 2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.634 10.865 3.519 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.887 11.133 3.311 1.00 0.00 H new ATOM 1168 N GLU A 79 -4.227 8.482 7.415 1.00 0.00 N ATOM 1169 CA GLU A 79 -4.167 7.460 8.453 1.00 0.00 C ATOM 1170 C GLU A 79 -4.985 6.234 8.057 1.00 0.00 C ATOM 1171 O GLU A 79 -6.210 6.226 8.180 1.00 0.00 O ATOM 1172 CB GLU A 79 -4.679 8.021 9.782 1.00 0.00 C ATOM 1173 CG GLU A 79 -4.496 7.071 10.954 1.00 0.00 C ATOM 1174 CD GLU A 79 -4.534 7.782 12.292 1.00 0.00 C ATOM 1175 OE1 GLU A 79 -3.845 8.814 12.435 1.00 0.00 O ATOM 1176 OE2 GLU A 79 -5.252 7.308 13.197 1.00 0.00 O ATOM 0 H GLU A 79 -5.172 8.770 7.160 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.126 7.158 8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.159 8.955 9.997 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.737 8.261 9.682 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.278 6.312 10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.544 6.551 10.850 1.00 0.00 H new ATOM 1183 N CYS A 80 -4.298 5.201 7.582 1.00 0.00 N ATOM 1184 CA CYS A 80 -4.959 3.969 7.167 1.00 0.00 C ATOM 1185 C CYS A 80 -4.707 2.851 8.173 1.00 0.00 C ATOM 1186 O CYS A 80 -3.654 2.799 8.808 1.00 0.00 O ATOM 1187 CB CYS A 80 -4.470 3.545 5.782 1.00 0.00 C ATOM 1188 SG CYS A 80 -5.161 1.978 5.202 1.00 0.00 S ATOM 0 H CYS A 80 -3.284 5.192 7.475 1.00 0.00 H new ATOM 0 HA CYS A 80 -6.032 4.158 7.123 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -4.720 4.327 5.065 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -3.383 3.465 5.801 1.00 0.00 H new ATOM 0 HG CYS A 80 -5.151 1.954 3.902 1.00 0.00 H new ATOM 1194 N ARG A 81 -5.682 1.958 8.315 1.00 0.00 N ATOM 1195 CA ARG A 81 -5.567 0.843 9.246 1.00 0.00 C ATOM 1196 C ARG A 81 -5.880 -0.480 8.551 1.00 0.00 C ATOM 1197 O ARG A 81 -6.973 -0.668 8.016 1.00 0.00 O ATOM 1198 CB ARG A 81 -6.510 1.043 10.434 1.00 0.00 C ATOM 1199 CG ARG A 81 -5.892 1.835 11.575 1.00 0.00 C ATOM 1200 CD ARG A 81 -6.957 2.407 12.497 1.00 0.00 C ATOM 1201 NE ARG A 81 -7.341 1.462 13.542 1.00 0.00 N ATOM 1202 CZ ARG A 81 -6.584 1.189 14.600 1.00 0.00 C ATOM 1203 NH1 ARG A 81 -5.410 1.786 14.751 1.00 0.00 N ATOM 1204 NH2 ARG A 81 -7.002 0.317 15.509 1.00 0.00 N ATOM 0 H ARG A 81 -6.560 1.986 7.797 1.00 0.00 H new ATOM 0 HA ARG A 81 -4.540 0.809 9.608 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -7.409 1.556 10.091 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -6.823 0.068 10.807 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.223 1.191 12.146 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.286 2.646 11.170 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.585 3.323 12.956 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.836 2.677 11.912 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.239 0.986 13.455 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.086 2.457 14.054 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -4.831 1.575 15.564 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.905 -0.144 15.396 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.421 0.108 16.321 1.00 0.00 H new ATOM 1218 N VAL A 82 -4.914 -1.392 8.564 1.00 0.00 N ATOM 1219 CA VAL A 82 -5.087 -2.697 7.936 1.00 0.00 C ATOM 1220 C VAL A 82 -6.502 -3.225 8.145 1.00 0.00 C ATOM 1221 O VAL A 82 -7.086 -3.836 7.250 1.00 0.00 O ATOM 1222 CB VAL A 82 -4.081 -3.724 8.489 1.00 0.00 C ATOM 1223 CG1 VAL A 82 -4.302 -5.086 7.851 1.00 0.00 C ATOM 1224 CG2 VAL A 82 -2.654 -3.246 8.264 1.00 0.00 C ATOM 0 H VAL A 82 -4.004 -1.252 9.002 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.907 -2.561 6.870 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.242 -3.822 9.562 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.582 -5.798 8.254 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.313 -5.430 8.069 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.170 -5.008 6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.956 -3.984 8.661 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.478 -3.117 7.196 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -2.504 -2.294 8.774 1.00 0.00 H new ATOM 1234 N ARG A 83 -7.047 -2.984 9.333 1.00 0.00 N ATOM 1235 CA ARG A 83 -8.394 -3.436 9.660 1.00 0.00 C ATOM 1236 C ARG A 83 -9.428 -2.755 8.768 1.00 0.00 C ATOM 1237 O ARG A 83 -10.352 -3.397 8.269 1.00 0.00 O ATOM 1238 CB ARG A 83 -8.707 -3.151 11.130 1.00 0.00 C ATOM 1239 CG ARG A 83 -7.763 -3.845 12.099 1.00 0.00 C ATOM 1240 CD ARG A 83 -8.018 -3.408 13.533 1.00 0.00 C ATOM 1241 NE ARG A 83 -6.913 -3.766 14.419 1.00 0.00 N ATOM 1242 CZ ARG A 83 -6.979 -3.693 15.743 1.00 0.00 C ATOM 1243 NH1 ARG A 83 -8.092 -3.278 16.333 1.00 0.00 N ATOM 1244 NH2 ARG A 83 -5.931 -4.035 16.481 1.00 0.00 N ATOM 0 H ARG A 83 -6.577 -2.479 10.084 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.442 -4.511 9.487 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -8.663 -2.075 11.300 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.729 -3.466 11.343 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -7.887 -4.925 12.019 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.731 -3.621 11.827 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.171 -2.329 13.561 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.937 -3.870 13.895 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.043 -4.090 13.997 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.900 -3.014 15.769 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.140 -3.223 17.350 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.073 -4.355 16.031 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.983 -3.978 17.498 1.00 0.00 H new ATOM 1258 N PHE A 84 -9.265 -1.450 8.572 1.00 0.00 N ATOM 1259 CA PHE A 84 -10.185 -0.682 7.741 1.00 0.00 C ATOM 1260 C PHE A 84 -9.985 -1.007 6.264 1.00 0.00 C ATOM 1261 O PHE A 84 -10.945 -1.068 5.494 1.00 0.00 O ATOM 1262 CB PHE A 84 -9.986 0.817 7.976 1.00 0.00 C ATOM 1263 CG PHE A 84 -10.643 1.319 9.230 1.00 0.00 C ATOM 1264 CD1 PHE A 84 -10.086 1.058 10.472 1.00 0.00 C ATOM 1265 CD2 PHE A 84 -11.817 2.053 9.167 1.00 0.00 C ATOM 1266 CE1 PHE A 84 -10.688 1.519 11.628 1.00 0.00 C ATOM 1267 CE2 PHE A 84 -12.423 2.517 10.320 1.00 0.00 C ATOM 1268 CZ PHE A 84 -11.858 2.248 11.551 1.00 0.00 C ATOM 0 H PHE A 84 -8.505 -0.903 8.977 1.00 0.00 H new ATOM 0 HA PHE A 84 -11.202 -0.956 8.020 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -8.918 1.031 8.024 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -10.383 1.366 7.122 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.171 0.488 10.537 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -12.263 2.265 8.207 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -10.244 1.309 12.590 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -13.337 3.089 10.258 1.00 0.00 H new ATOM 0 HZ PHE A 84 -12.331 2.608 12.453 1.00 0.00 H new ATOM 1278 N LEU A 85 -8.732 -1.215 5.874 1.00 0.00 N ATOM 1279 CA LEU A 85 -8.404 -1.534 4.489 1.00 0.00 C ATOM 1280 C LEU A 85 -9.394 -2.541 3.913 1.00 0.00 C ATOM 1281 O LEU A 85 -9.772 -3.505 4.579 1.00 0.00 O ATOM 1282 CB LEU A 85 -6.982 -2.089 4.396 1.00 0.00 C ATOM 1283 CG LEU A 85 -6.236 -1.807 3.091 1.00 0.00 C ATOM 1284 CD1 LEU A 85 -4.739 -1.718 3.340 1.00 0.00 C ATOM 1285 CD2 LEU A 85 -6.543 -2.882 2.058 1.00 0.00 C ATOM 0 H LEU A 85 -7.926 -1.168 6.498 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.468 -0.616 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -6.399 -1.679 5.221 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -7.024 -3.168 4.541 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.576 -0.848 2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.225 -1.517 2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.535 -0.912 4.045 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.382 -2.661 3.754 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.004 -2.665 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.231 -3.854 2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.614 -2.898 1.857 1.00 0.00 H new ATOM 1297 N SER A 86 -9.808 -2.313 2.671 1.00 0.00 N ATOM 1298 CA SER A 86 -10.756 -3.200 2.006 1.00 0.00 C ATOM 1299 C SER A 86 -10.051 -4.066 0.967 1.00 0.00 C ATOM 1300 O SER A 86 -10.292 -5.270 0.879 1.00 0.00 O ATOM 1301 CB SER A 86 -11.867 -2.386 1.340 1.00 0.00 C ATOM 1302 OG SER A 86 -11.357 -1.603 0.274 1.00 0.00 O ATOM 0 H SER A 86 -9.502 -1.522 2.105 1.00 0.00 H new ATOM 0 HA SER A 86 -11.196 -3.853 2.760 1.00 0.00 H new ATOM 0 HB2 SER A 86 -12.639 -3.058 0.965 1.00 0.00 H new ATOM 0 HB3 SER A 86 -12.339 -1.738 2.078 1.00 0.00 H new ATOM 0 HG SER A 86 -10.596 -1.074 0.592 1.00 0.00 H new ATOM 1308 N PHE A 87 -9.178 -3.444 0.181 1.00 0.00 N ATOM 1309 CA PHE A 87 -8.438 -4.157 -0.854 1.00 0.00 C ATOM 1310 C PHE A 87 -7.194 -3.376 -1.268 1.00 0.00 C ATOM 1311 O PHE A 87 -7.201 -2.146 -1.296 1.00 0.00 O ATOM 1312 CB PHE A 87 -9.330 -4.400 -2.073 1.00 0.00 C ATOM 1313 CG PHE A 87 -8.598 -4.994 -3.242 1.00 0.00 C ATOM 1314 CD1 PHE A 87 -7.936 -4.181 -4.148 1.00 0.00 C ATOM 1315 CD2 PHE A 87 -8.572 -6.366 -3.436 1.00 0.00 C ATOM 1316 CE1 PHE A 87 -7.262 -4.725 -5.225 1.00 0.00 C ATOM 1317 CE2 PHE A 87 -7.900 -6.915 -4.512 1.00 0.00 C ATOM 1318 CZ PHE A 87 -7.243 -6.094 -5.406 1.00 0.00 C ATOM 0 H PHE A 87 -8.966 -2.448 0.241 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.124 -5.117 -0.445 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.146 -5.065 -1.790 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -9.780 -3.455 -2.378 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -7.947 -3.110 -4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -9.083 -7.014 -2.739 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.751 -4.080 -5.924 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -7.889 -7.986 -4.653 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.715 -6.521 -6.246 1.00 0.00 H new ATOM 1328 N MET A 88 -6.127 -4.102 -1.588 1.00 0.00 N ATOM 1329 CA MET A 88 -4.875 -3.478 -2.001 1.00 0.00 C ATOM 1330 C MET A 88 -4.285 -4.193 -3.212 1.00 0.00 C ATOM 1331 O MET A 88 -4.432 -5.405 -3.362 1.00 0.00 O ATOM 1332 CB MET A 88 -3.870 -3.489 -0.848 1.00 0.00 C ATOM 1333 CG MET A 88 -3.329 -4.873 -0.527 1.00 0.00 C ATOM 1334 SD MET A 88 -2.014 -4.836 0.706 1.00 0.00 S ATOM 1335 CE MET A 88 -2.948 -5.126 2.206 1.00 0.00 C ATOM 0 H MET A 88 -6.104 -5.122 -1.569 1.00 0.00 H new ATOM 0 HA MET A 88 -5.087 -2.445 -2.278 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.037 -2.831 -1.096 1.00 0.00 H new ATOM 0 HB3 MET A 88 -4.346 -3.078 0.042 1.00 0.00 H new ATOM 0 HG2 MET A 88 -4.143 -5.502 -0.166 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.952 -5.332 -1.441 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.292 -5.548 2.967 1.00 0.00 H new ATOM 0 HE2 MET A 88 -3.362 -4.184 2.565 1.00 0.00 H new ATOM 0 HE3 MET A 88 -3.760 -5.823 2.000 1.00 0.00 H new ATOM 1345 N GLY A 89 -3.617 -3.433 -4.075 1.00 0.00 N ATOM 1346 CA GLY A 89 -3.016 -4.012 -5.262 1.00 0.00 C ATOM 1347 C GLY A 89 -1.979 -3.101 -5.890 1.00 0.00 C ATOM 1348 O GLY A 89 -1.698 -2.020 -5.374 1.00 0.00 O ATOM 0 H GLY A 89 -3.482 -2.427 -3.973 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.551 -4.963 -5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.796 -4.227 -5.992 1.00 0.00 H new ATOM 1352 N VAL A 90 -1.408 -3.539 -7.008 1.00 0.00 N ATOM 1353 CA VAL A 90 -0.396 -2.756 -7.707 1.00 0.00 C ATOM 1354 C VAL A 90 -0.843 -2.423 -9.126 1.00 0.00 C ATOM 1355 O VAL A 90 -1.447 -3.249 -9.808 1.00 0.00 O ATOM 1356 CB VAL A 90 0.949 -3.503 -7.767 1.00 0.00 C ATOM 1357 CG1 VAL A 90 1.937 -2.754 -8.648 1.00 0.00 C ATOM 1358 CG2 VAL A 90 1.512 -3.698 -6.367 1.00 0.00 C ATOM 0 H VAL A 90 -1.629 -4.432 -7.449 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.265 -1.832 -7.143 1.00 0.00 H new ATOM 0 HB VAL A 90 0.780 -4.486 -8.207 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.882 -3.297 -8.678 1.00 0.00 H new ATOM 0 HG12 VAL A 90 1.534 -2.671 -9.657 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.105 -1.757 -8.241 1.00 0.00 H new ATOM 0 HG21 VAL A 90 2.463 -4.228 -6.428 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.667 -2.726 -5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.810 -4.280 -5.770 1.00 0.00 H new ATOM 1368 N GLY A 91 -0.541 -1.205 -9.565 1.00 0.00 N ATOM 1369 CA GLY A 91 -0.918 -0.783 -10.901 1.00 0.00 C ATOM 1370 C GLY A 91 -0.052 -1.412 -11.974 1.00 0.00 C ATOM 1371 O GLY A 91 0.849 -2.195 -11.675 1.00 0.00 O ATOM 0 H GLY A 91 -0.042 -0.503 -9.019 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.961 -1.045 -11.081 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -0.845 0.302 -10.970 1.00 0.00 H new ATOM 1375 N LYS A 92 -0.327 -1.071 -13.229 1.00 0.00 N ATOM 1376 CA LYS A 92 0.433 -1.608 -14.352 1.00 0.00 C ATOM 1377 C LYS A 92 1.924 -1.647 -14.031 1.00 0.00 C ATOM 1378 O LYS A 92 2.595 -2.650 -14.277 1.00 0.00 O ATOM 1379 CB LYS A 92 0.193 -0.765 -15.606 1.00 0.00 C ATOM 1380 CG LYS A 92 0.590 -1.465 -16.894 1.00 0.00 C ATOM 1381 CD LYS A 92 0.680 -0.488 -18.055 1.00 0.00 C ATOM 1382 CE LYS A 92 -0.668 -0.306 -18.735 1.00 0.00 C ATOM 1383 NZ LYS A 92 -0.966 -1.416 -19.683 1.00 0.00 N ATOM 0 H LYS A 92 -1.071 -0.425 -13.494 1.00 0.00 H new ATOM 0 HA LYS A 92 0.092 -2.627 -14.535 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.863 -0.498 -15.658 1.00 0.00 H new ATOM 0 HB3 LYS A 92 0.753 0.166 -15.521 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.552 -1.960 -16.759 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.139 -2.242 -17.127 1.00 0.00 H new ATOM 0 HD2 LYS A 92 1.040 0.476 -17.694 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.409 -0.849 -18.780 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.452 -0.254 -17.979 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -0.679 0.643 -19.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -1.893 -1.255 -20.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.232 -1.450 -20.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.981 -2.319 -19.167 1.00 0.00 H new ATOM 1397 N ASP A 93 2.434 -0.552 -13.479 1.00 0.00 N ATOM 1398 CA ASP A 93 3.845 -0.463 -13.122 1.00 0.00 C ATOM 1399 C ASP A 93 4.068 -0.895 -11.676 1.00 0.00 C ATOM 1400 O ASP A 93 3.469 -0.345 -10.753 1.00 0.00 O ATOM 1401 CB ASP A 93 4.355 0.965 -13.324 1.00 0.00 C ATOM 1402 CG ASP A 93 4.730 1.247 -14.766 1.00 0.00 C ATOM 1403 OD1 ASP A 93 5.419 0.402 -15.376 1.00 0.00 O ATOM 1404 OD2 ASP A 93 4.334 2.311 -15.284 1.00 0.00 O ATOM 0 H ASP A 93 1.892 0.286 -13.269 1.00 0.00 H new ATOM 0 HA ASP A 93 4.402 -1.136 -13.774 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.587 1.670 -13.007 1.00 0.00 H new ATOM 0 HB3 ASP A 93 5.223 1.131 -12.687 1.00 0.00 H new ATOM 1409 N VAL A 94 4.934 -1.886 -11.487 1.00 0.00 N ATOM 1410 CA VAL A 94 5.237 -2.393 -10.154 1.00 0.00 C ATOM 1411 C VAL A 94 5.831 -1.301 -9.272 1.00 0.00 C ATOM 1412 O VAL A 94 5.822 -1.405 -8.045 1.00 0.00 O ATOM 1413 CB VAL A 94 6.217 -3.580 -10.214 1.00 0.00 C ATOM 1414 CG1 VAL A 94 5.700 -4.653 -11.160 1.00 0.00 C ATOM 1415 CG2 VAL A 94 7.600 -3.107 -10.635 1.00 0.00 C ATOM 0 H VAL A 94 5.438 -2.354 -12.241 1.00 0.00 H new ATOM 0 HA VAL A 94 4.295 -2.731 -9.723 1.00 0.00 H new ATOM 0 HB VAL A 94 6.294 -4.016 -9.218 1.00 0.00 H new ATOM 0 HG11 VAL A 94 6.406 -5.483 -11.189 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.732 -5.012 -10.809 1.00 0.00 H new ATOM 0 HG13 VAL A 94 5.591 -4.234 -12.160 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.280 -3.958 -10.672 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.542 -2.645 -11.621 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.970 -2.378 -9.914 1.00 0.00 H new ATOM 1425 N HIS A 95 6.347 -0.252 -9.906 1.00 0.00 N ATOM 1426 CA HIS A 95 6.946 0.862 -9.178 1.00 0.00 C ATOM 1427 C HIS A 95 5.890 1.616 -8.376 1.00 0.00 C ATOM 1428 O HIS A 95 6.212 2.343 -7.435 1.00 0.00 O ATOM 1429 CB HIS A 95 7.644 1.815 -10.148 1.00 0.00 C ATOM 1430 CG HIS A 95 8.698 1.155 -10.983 1.00 0.00 C ATOM 1431 ND1 HIS A 95 8.407 0.350 -12.064 1.00 0.00 N ATOM 1432 CD2 HIS A 95 10.048 1.185 -10.891 1.00 0.00 C ATOM 1433 CE1 HIS A 95 9.533 -0.087 -12.600 1.00 0.00 C ATOM 1434 NE2 HIS A 95 10.543 0.405 -11.906 1.00 0.00 N ATOM 0 H HIS A 95 6.362 -0.150 -10.921 1.00 0.00 H new ATOM 0 HA HIS A 95 7.683 0.458 -8.485 1.00 0.00 H new ATOM 0 HB2 HIS A 95 6.898 2.261 -10.806 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.097 2.629 -9.582 1.00 0.00 H new ATOM 0 HD2 HIS A 95 10.628 1.723 -10.156 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.614 -0.736 -13.459 1.00 0.00 H new ATOM 0 HE2 HIS A 95 11.531 0.233 -12.094 1.00 0.00 H new ATOM 1443 N THR A 96 4.628 1.439 -8.754 1.00 0.00 N ATOM 1444 CA THR A 96 3.525 2.104 -8.071 1.00 0.00 C ATOM 1445 C THR A 96 2.852 1.169 -7.073 1.00 0.00 C ATOM 1446 O THR A 96 2.994 -0.051 -7.157 1.00 0.00 O ATOM 1447 CB THR A 96 2.471 2.615 -9.072 1.00 0.00 C ATOM 1448 OG1 THR A 96 1.770 1.508 -9.651 1.00 0.00 O ATOM 1449 CG2 THR A 96 3.122 3.440 -10.170 1.00 0.00 C ATOM 0 H THR A 96 4.344 0.841 -9.530 1.00 0.00 H new ATOM 0 HA THR A 96 3.950 2.954 -7.537 1.00 0.00 H new ATOM 0 HB THR A 96 1.767 3.249 -8.533 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.416 0.853 -9.989 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.358 3.789 -10.864 1.00 0.00 H new ATOM 0 HG22 THR A 96 3.630 4.297 -9.728 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.846 2.826 -10.706 1.00 0.00 H new ATOM 1457 N PHE A 97 2.118 1.748 -6.129 1.00 0.00 N ATOM 1458 CA PHE A 97 1.422 0.966 -5.114 1.00 0.00 C ATOM 1459 C PHE A 97 0.207 1.721 -4.583 1.00 0.00 C ATOM 1460 O PHE A 97 0.341 2.782 -3.974 1.00 0.00 O ATOM 1461 CB PHE A 97 2.370 0.627 -3.962 1.00 0.00 C ATOM 1462 CG PHE A 97 1.661 0.220 -2.702 1.00 0.00 C ATOM 1463 CD1 PHE A 97 0.918 -0.948 -2.656 1.00 0.00 C ATOM 1464 CD2 PHE A 97 1.739 1.005 -1.563 1.00 0.00 C ATOM 1465 CE1 PHE A 97 0.264 -1.325 -1.498 1.00 0.00 C ATOM 1466 CE2 PHE A 97 1.087 0.634 -0.402 1.00 0.00 C ATOM 1467 CZ PHE A 97 0.349 -0.533 -0.370 1.00 0.00 C ATOM 0 H PHE A 97 1.990 2.756 -6.046 1.00 0.00 H new ATOM 0 HA PHE A 97 1.078 0.041 -5.577 1.00 0.00 H new ATOM 0 HB2 PHE A 97 3.033 -0.180 -4.273 1.00 0.00 H new ATOM 0 HB3 PHE A 97 2.998 1.493 -3.752 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.849 -1.571 -3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 97 2.316 1.918 -1.583 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.313 -2.238 -1.475 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.155 1.256 0.479 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.161 -0.826 0.536 1.00 0.00 H new ATOM 1477 N ALA A 98 -0.977 1.166 -4.819 1.00 0.00 N ATOM 1478 CA ALA A 98 -2.215 1.786 -4.363 1.00 0.00 C ATOM 1479 C ALA A 98 -3.008 0.837 -3.471 1.00 0.00 C ATOM 1480 O ALA A 98 -2.838 -0.381 -3.537 1.00 0.00 O ATOM 1481 CB ALA A 98 -3.057 2.220 -5.554 1.00 0.00 C ATOM 0 H ALA A 98 -1.105 0.289 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 98 -1.956 2.666 -3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -3.979 2.681 -5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -2.498 2.940 -6.152 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -3.299 1.350 -6.165 1.00 0.00 H new ATOM 1487 N PHE A 99 -3.874 1.402 -2.636 1.00 0.00 N ATOM 1488 CA PHE A 99 -4.692 0.605 -1.729 1.00 0.00 C ATOM 1489 C PHE A 99 -5.990 1.331 -1.388 1.00 0.00 C ATOM 1490 O PHE A 99 -5.996 2.541 -1.160 1.00 0.00 O ATOM 1491 CB PHE A 99 -3.916 0.296 -0.447 1.00 0.00 C ATOM 1492 CG PHE A 99 -3.652 1.507 0.401 1.00 0.00 C ATOM 1493 CD1 PHE A 99 -4.691 2.158 1.046 1.00 0.00 C ATOM 1494 CD2 PHE A 99 -2.364 1.996 0.552 1.00 0.00 C ATOM 1495 CE1 PHE A 99 -4.452 3.273 1.827 1.00 0.00 C ATOM 1496 CE2 PHE A 99 -2.118 3.110 1.332 1.00 0.00 C ATOM 1497 CZ PHE A 99 -3.163 3.750 1.970 1.00 0.00 C ATOM 0 H PHE A 99 -4.027 2.408 -2.569 1.00 0.00 H new ATOM 0 HA PHE A 99 -4.940 -0.331 -2.230 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.475 -0.433 0.139 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -2.965 -0.168 -0.710 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.700 1.790 0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.543 1.501 0.054 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -5.271 3.771 2.325 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.109 3.480 1.443 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.973 4.621 2.579 1.00 0.00 H new ATOM 1507 N ILE A 100 -7.088 0.583 -1.357 1.00 0.00 N ATOM 1508 CA ILE A 100 -8.392 1.155 -1.045 1.00 0.00 C ATOM 1509 C ILE A 100 -8.739 0.961 0.428 1.00 0.00 C ATOM 1510 O ILE A 100 -8.847 -0.167 0.907 1.00 0.00 O ATOM 1511 CB ILE A 100 -9.503 0.529 -1.909 1.00 0.00 C ATOM 1512 CG1 ILE A 100 -9.111 0.565 -3.387 1.00 0.00 C ATOM 1513 CG2 ILE A 100 -10.821 1.256 -1.686 1.00 0.00 C ATOM 1514 CD1 ILE A 100 -9.905 -0.394 -4.246 1.00 0.00 C ATOM 0 H ILE A 100 -7.101 -0.420 -1.544 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.330 2.221 -1.264 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.631 -0.512 -1.612 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.247 1.578 -3.766 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -8.051 0.330 -3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -11.596 0.802 -2.303 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -11.104 1.182 -0.636 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -10.708 2.305 -1.959 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -9.574 -0.315 -5.281 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -9.750 -1.413 -3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -10.965 -0.146 -4.184 1.00 0.00 H new ATOM 1526 N MET A 101 -8.913 2.069 1.140 1.00 0.00 N ATOM 1527 CA MET A 101 -9.250 2.021 2.558 1.00 0.00 C ATOM 1528 C MET A 101 -10.698 2.445 2.787 1.00 0.00 C ATOM 1529 O MET A 101 -11.299 3.114 1.946 1.00 0.00 O ATOM 1530 CB MET A 101 -8.309 2.923 3.359 1.00 0.00 C ATOM 1531 CG MET A 101 -8.478 4.402 3.052 1.00 0.00 C ATOM 1532 SD MET A 101 -7.297 5.435 3.940 1.00 0.00 S ATOM 1533 CE MET A 101 -8.117 5.604 5.523 1.00 0.00 C ATOM 0 H MET A 101 -8.826 3.011 0.759 1.00 0.00 H new ATOM 0 HA MET A 101 -9.133 0.992 2.899 1.00 0.00 H new ATOM 0 HB2 MET A 101 -8.480 2.759 4.423 1.00 0.00 H new ATOM 0 HB3 MET A 101 -7.279 2.633 3.154 1.00 0.00 H new ATOM 0 HG2 MET A 101 -8.361 4.562 1.980 1.00 0.00 H new ATOM 0 HG3 MET A 101 -9.491 4.710 3.312 1.00 0.00 H new ATOM 0 HE1 MET A 101 -8.455 6.633 5.650 1.00 0.00 H new ATOM 0 HE2 MET A 101 -8.975 4.933 5.562 1.00 0.00 H new ATOM 0 HE3 MET A 101 -7.421 5.350 6.322 1.00 0.00 H new ATOM 1543 N ASP A 102 -11.251 2.052 3.929 1.00 0.00 N ATOM 1544 CA ASP A 102 -12.628 2.392 4.268 1.00 0.00 C ATOM 1545 C ASP A 102 -12.674 3.585 5.218 1.00 0.00 C ATOM 1546 O ASP A 102 -12.167 3.521 6.338 1.00 0.00 O ATOM 1547 CB ASP A 102 -13.331 1.191 4.903 1.00 0.00 C ATOM 1548 CG ASP A 102 -13.987 0.293 3.873 1.00 0.00 C ATOM 1549 OD1 ASP A 102 -13.406 0.118 2.781 1.00 0.00 O ATOM 1550 OD2 ASP A 102 -15.082 -0.235 4.158 1.00 0.00 O ATOM 0 H ASP A 102 -10.767 1.498 4.636 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.147 2.662 3.348 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -12.608 0.612 5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -14.086 1.545 5.605 1.00 0.00 H new ATOM 1555 N THR A 103 -13.286 4.674 4.762 1.00 0.00 N ATOM 1556 CA THR A 103 -13.397 5.882 5.570 1.00 0.00 C ATOM 1557 C THR A 103 -14.854 6.204 5.880 1.00 0.00 C ATOM 1558 O THR A 103 -15.260 7.365 5.866 1.00 0.00 O ATOM 1559 CB THR A 103 -12.755 7.091 4.863 1.00 0.00 C ATOM 1560 OG1 THR A 103 -13.555 7.484 3.741 1.00 0.00 O ATOM 1561 CG2 THR A 103 -11.346 6.760 4.396 1.00 0.00 C ATOM 0 H THR A 103 -13.712 4.744 3.838 1.00 0.00 H new ATOM 0 HA THR A 103 -12.864 5.690 6.501 1.00 0.00 H new ATOM 0 HB THR A 103 -12.700 7.914 5.576 1.00 0.00 H new ATOM 0 HG1 THR A 103 -13.141 8.254 3.298 1.00 0.00 H new ATOM 0 HG21 THR A 103 -10.914 7.629 3.900 1.00 0.00 H new ATOM 0 HG22 THR A 103 -10.732 6.490 5.255 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.381 5.924 3.698 1.00 0.00 H new ATOM 1607 N ARG A 107 -18.305 4.549 0.587 1.00 0.00 N ATOM 1608 CA ARG A 107 -17.291 5.441 0.037 1.00 0.00 C ATOM 1609 C ARG A 107 -15.894 5.012 0.477 1.00 0.00 C ATOM 1610 O ARG A 107 -15.568 5.044 1.664 1.00 0.00 O ATOM 1611 CB ARG A 107 -17.556 6.882 0.477 1.00 0.00 C ATOM 1612 CG ARG A 107 -17.009 7.208 1.857 1.00 0.00 C ATOM 1613 CD ARG A 107 -17.714 8.410 2.466 1.00 0.00 C ATOM 1614 NE ARG A 107 -17.289 9.664 1.850 1.00 0.00 N ATOM 1615 CZ ARG A 107 -17.504 10.858 2.391 1.00 0.00 C ATOM 1616 NH1 ARG A 107 -18.136 10.960 3.552 1.00 0.00 N ATOM 1617 NH2 ARG A 107 -17.087 11.954 1.769 1.00 0.00 N ATOM 0 HA ARG A 107 -17.344 5.385 -1.050 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -17.113 7.562 -0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -18.631 7.063 0.469 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -17.130 6.344 2.511 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -15.940 7.408 1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -18.792 8.296 2.349 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -17.511 8.445 3.536 1.00 0.00 H new ATOM 0 HE ARG A 107 -16.800 9.621 0.956 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -18.459 10.120 4.033 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -18.299 11.878 3.965 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -16.601 11.880 0.875 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -17.252 12.871 2.185 1.00 0.00 H new ATOM 1631 N PHE A 108 -15.073 4.610 -0.488 1.00 0.00 N ATOM 1632 CA PHE A 108 -13.712 4.173 -0.200 1.00 0.00 C ATOM 1633 C PHE A 108 -12.695 5.046 -0.931 1.00 0.00 C ATOM 1634 O PHE A 108 -12.920 5.458 -2.068 1.00 0.00 O ATOM 1635 CB PHE A 108 -13.528 2.709 -0.604 1.00 0.00 C ATOM 1636 CG PHE A 108 -14.678 1.828 -0.206 1.00 0.00 C ATOM 1637 CD1 PHE A 108 -15.197 1.882 1.078 1.00 0.00 C ATOM 1638 CD2 PHE A 108 -15.239 0.947 -1.115 1.00 0.00 C ATOM 1639 CE1 PHE A 108 -16.255 1.074 1.447 1.00 0.00 C ATOM 1640 CE2 PHE A 108 -16.298 0.136 -0.752 1.00 0.00 C ATOM 1641 CZ PHE A 108 -16.806 0.198 0.531 1.00 0.00 C ATOM 0 H PHE A 108 -15.326 4.578 -1.475 1.00 0.00 H new ATOM 0 HA PHE A 108 -13.544 4.270 0.873 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -13.394 2.653 -1.684 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -12.614 2.327 -0.149 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -14.769 2.564 1.798 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -14.845 0.893 -2.119 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -16.651 1.127 2.450 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -16.728 -0.546 -1.471 1.00 0.00 H new ATOM 0 HZ PHE A 108 -17.632 -0.436 0.818 1.00 0.00 H new ATOM 1651 N GLU A 109 -11.577 5.323 -0.268 1.00 0.00 N ATOM 1652 CA GLU A 109 -10.526 6.147 -0.853 1.00 0.00 C ATOM 1653 C GLU A 109 -9.295 5.308 -1.180 1.00 0.00 C ATOM 1654 O GLU A 109 -8.825 4.526 -0.352 1.00 0.00 O ATOM 1655 CB GLU A 109 -10.145 7.281 0.101 1.00 0.00 C ATOM 1656 CG GLU A 109 -11.319 8.160 0.501 1.00 0.00 C ATOM 1657 CD GLU A 109 -10.907 9.307 1.403 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -10.121 9.071 2.344 1.00 0.00 O ATOM 1659 OE2 GLU A 109 -11.372 10.442 1.167 1.00 0.00 O ATOM 0 H GLU A 109 -11.376 4.989 0.674 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.909 6.575 -1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -9.699 6.854 0.999 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -9.382 7.900 -0.371 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -11.791 8.560 -0.396 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -12.066 7.552 1.011 1.00 0.00 H new ATOM 1666 N CYS A 110 -8.778 5.474 -2.392 1.00 0.00 N ATOM 1667 CA CYS A 110 -7.601 4.731 -2.831 1.00 0.00 C ATOM 1668 C CYS A 110 -6.379 5.640 -2.900 1.00 0.00 C ATOM 1669 O CYS A 110 -6.299 6.527 -3.751 1.00 0.00 O ATOM 1670 CB CYS A 110 -7.855 4.092 -4.197 1.00 0.00 C ATOM 1671 SG CYS A 110 -6.575 2.926 -4.716 1.00 0.00 S ATOM 0 H CYS A 110 -9.155 6.116 -3.089 1.00 0.00 H new ATOM 0 HA CYS A 110 -7.405 3.945 -2.102 1.00 0.00 H new ATOM 0 HB2 CYS A 110 -8.814 3.574 -4.171 1.00 0.00 H new ATOM 0 HB3 CYS A 110 -7.938 4.880 -4.945 1.00 0.00 H new ATOM 0 HG CYS A 110 -5.903 3.432 -5.707 1.00 0.00 H new ATOM 1677 N HIS A 111 -5.428 5.416 -1.999 1.00 0.00 N ATOM 1678 CA HIS A 111 -4.209 6.216 -1.957 1.00 0.00 C ATOM 1679 C HIS A 111 -3.110 5.575 -2.800 1.00 0.00 C ATOM 1680 O HIS A 111 -2.878 4.369 -2.723 1.00 0.00 O ATOM 1681 CB HIS A 111 -3.731 6.381 -0.514 1.00 0.00 C ATOM 1682 CG HIS A 111 -4.632 7.237 0.321 1.00 0.00 C ATOM 1683 ND1 HIS A 111 -5.446 6.920 1.355 1.00 0.00 N flip ATOM 1684 CD2 HIS A 111 -4.770 8.595 0.130 1.00 0.00 C flip ATOM 1685 CE1 HIS A 111 -6.053 8.081 1.767 1.00 0.00 C flip ATOM 1686 NE2 HIS A 111 -5.628 9.077 1.011 1.00 0.00 N flip ATOM 0 H HIS A 111 -5.478 4.687 -1.288 1.00 0.00 H new ATOM 0 HA HIS A 111 -4.434 7.199 -2.371 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -3.648 5.397 -0.053 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.732 6.816 -0.518 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -4.257 9.175 -0.623 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -6.762 8.166 2.577 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -5.914 10.053 1.093 1.00 0.00 H new ATOM 1694 N VAL A 112 -2.437 6.391 -3.605 1.00 0.00 N ATOM 1695 CA VAL A 112 -1.362 5.905 -4.461 1.00 0.00 C ATOM 1696 C VAL A 112 -0.009 6.438 -4.002 1.00 0.00 C ATOM 1697 O VAL A 112 0.133 7.623 -3.700 1.00 0.00 O ATOM 1698 CB VAL A 112 -1.589 6.309 -5.930 1.00 0.00 C ATOM 1699 CG1 VAL A 112 -0.655 5.534 -6.847 1.00 0.00 C ATOM 1700 CG2 VAL A 112 -3.041 6.088 -6.325 1.00 0.00 C ATOM 0 H VAL A 112 -2.618 7.392 -3.682 1.00 0.00 H new ATOM 0 HA VAL A 112 -1.365 4.818 -4.386 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.365 7.371 -6.035 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -0.830 5.832 -7.881 1.00 0.00 H new ATOM 0 HG12 VAL A 112 0.379 5.747 -6.577 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -0.845 4.466 -6.741 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -3.183 6.379 -7.366 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.295 5.035 -6.204 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -3.687 6.692 -5.688 1.00 0.00 H new ATOM 1710 N PHE A 113 0.982 5.554 -3.953 1.00 0.00 N ATOM 1711 CA PHE A 113 2.325 5.935 -3.530 1.00 0.00 C ATOM 1712 C PHE A 113 3.380 5.302 -4.432 1.00 0.00 C ATOM 1713 O PHE A 113 3.314 4.112 -4.741 1.00 0.00 O ATOM 1714 CB PHE A 113 2.563 5.518 -2.077 1.00 0.00 C ATOM 1715 CG PHE A 113 1.495 5.994 -1.134 1.00 0.00 C ATOM 1716 CD1 PHE A 113 0.331 5.263 -0.958 1.00 0.00 C ATOM 1717 CD2 PHE A 113 1.655 7.173 -0.424 1.00 0.00 C ATOM 1718 CE1 PHE A 113 -0.653 5.698 -0.090 1.00 0.00 C ATOM 1719 CE2 PHE A 113 0.675 7.613 0.445 1.00 0.00 C ATOM 1720 CZ PHE A 113 -0.481 6.875 0.611 1.00 0.00 C ATOM 0 H PHE A 113 0.881 4.570 -4.201 1.00 0.00 H new ATOM 0 HA PHE A 113 2.409 7.019 -3.608 1.00 0.00 H new ATOM 0 HB2 PHE A 113 2.624 4.431 -2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.526 5.908 -1.749 1.00 0.00 H new ATOM 0 HD1 PHE A 113 0.191 4.343 -1.505 1.00 0.00 H new ATOM 0 HD2 PHE A 113 2.556 7.755 -0.551 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.555 5.118 0.040 1.00 0.00 H new ATOM 0 HE2 PHE A 113 0.813 8.533 0.994 1.00 0.00 H new ATOM 0 HZ PHE A 113 -1.249 7.218 1.288 1.00 0.00 H new ATOM 1730 N TRP A 114 4.350 6.105 -4.852 1.00 0.00 N ATOM 1731 CA TRP A 114 5.419 5.624 -5.719 1.00 0.00 C ATOM 1732 C TRP A 114 6.552 5.014 -4.901 1.00 0.00 C ATOM 1733 O TRP A 114 7.157 5.685 -4.064 1.00 0.00 O ATOM 1734 CB TRP A 114 5.956 6.766 -6.584 1.00 0.00 C ATOM 1735 CG TRP A 114 6.926 6.312 -7.632 1.00 0.00 C ATOM 1736 CD1 TRP A 114 8.281 6.200 -7.501 1.00 0.00 C ATOM 1737 CD2 TRP A 114 6.616 5.912 -8.971 1.00 0.00 C ATOM 1738 NE1 TRP A 114 8.832 5.754 -8.678 1.00 0.00 N ATOM 1739 CE2 TRP A 114 7.832 5.570 -9.595 1.00 0.00 C ATOM 1740 CE3 TRP A 114 5.431 5.808 -9.703 1.00 0.00 C ATOM 1741 CZ2 TRP A 114 7.893 5.132 -10.916 1.00 0.00 C ATOM 1742 CZ3 TRP A 114 5.493 5.375 -11.014 1.00 0.00 C ATOM 1743 CH2 TRP A 114 6.716 5.040 -11.609 1.00 0.00 C ATOM 0 H TRP A 114 4.419 7.093 -4.606 1.00 0.00 H new ATOM 0 HA TRP A 114 5.006 4.850 -6.366 1.00 0.00 H new ATOM 0 HB2 TRP A 114 5.119 7.270 -7.068 1.00 0.00 H new ATOM 0 HB3 TRP A 114 6.443 7.500 -5.942 1.00 0.00 H new ATOM 0 HD1 TRP A 114 8.837 6.428 -6.604 1.00 0.00 H new ATOM 0 HE1 TRP A 114 9.825 5.587 -8.842 1.00 0.00 H new ATOM 0 HE3 TRP A 114 4.483 6.062 -9.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 8.835 4.874 -11.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 4.583 5.294 -11.590 1.00 0.00 H new ATOM 0 HH2 TRP A 114 6.731 4.702 -12.635 1.00 0.00 H new ATOM 1754 N CYS A 115 6.834 3.739 -5.147 1.00 0.00 N ATOM 1755 CA CYS A 115 7.894 3.039 -4.432 1.00 0.00 C ATOM 1756 C CYS A 115 9.148 2.924 -5.293 1.00 0.00 C ATOM 1757 O CYS A 115 9.073 2.957 -6.521 1.00 0.00 O ATOM 1758 CB CYS A 115 7.421 1.647 -4.010 1.00 0.00 C ATOM 1759 SG CYS A 115 5.942 1.654 -2.970 1.00 0.00 S ATOM 0 H CYS A 115 6.343 3.170 -5.836 1.00 0.00 H new ATOM 0 HA CYS A 115 8.139 3.617 -3.541 1.00 0.00 H new ATOM 0 HB2 CYS A 115 7.221 1.057 -4.904 1.00 0.00 H new ATOM 0 HB3 CYS A 115 8.228 1.148 -3.473 1.00 0.00 H new ATOM 0 HG CYS A 115 5.619 0.432 -2.667 1.00 0.00 H new ATOM 1765 N GLU A 116 10.298 2.790 -4.641 1.00 0.00 N ATOM 1766 CA GLU A 116 11.568 2.673 -5.348 1.00 0.00 C ATOM 1767 C GLU A 116 12.481 1.661 -4.663 1.00 0.00 C ATOM 1768 O GLU A 116 12.677 1.686 -3.448 1.00 0.00 O ATOM 1769 CB GLU A 116 12.263 4.035 -5.423 1.00 0.00 C ATOM 1770 CG GLU A 116 11.556 5.030 -6.329 1.00 0.00 C ATOM 1771 CD GLU A 116 12.052 4.969 -7.761 1.00 0.00 C ATOM 1772 OE1 GLU A 116 11.764 3.964 -8.445 1.00 0.00 O ATOM 1773 OE2 GLU A 116 12.726 5.925 -8.197 1.00 0.00 O ATOM 0 H GLU A 116 10.377 2.760 -3.624 1.00 0.00 H new ATOM 0 HA GLU A 116 11.361 2.323 -6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 116 12.331 4.455 -4.419 1.00 0.00 H new ATOM 0 HB3 GLU A 116 13.284 3.894 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.484 4.834 -6.311 1.00 0.00 H new ATOM 0 HG3 GLU A 116 11.702 6.038 -5.940 1.00 0.00 H new ATOM 1780 N PRO A 117 13.054 0.747 -5.461 1.00 0.00 N ATOM 1781 CA PRO A 117 12.827 0.707 -6.909 1.00 0.00 C ATOM 1782 C PRO A 117 11.410 0.270 -7.262 1.00 0.00 C ATOM 1783 O PRO A 117 10.755 0.880 -8.107 1.00 0.00 O ATOM 1784 CB PRO A 117 13.843 -0.329 -7.398 1.00 0.00 C ATOM 1785 CG PRO A 117 14.089 -1.205 -6.218 1.00 0.00 C ATOM 1786 CD PRO A 117 13.965 -0.318 -5.010 1.00 0.00 C ATOM 0 HA PRO A 117 12.944 1.689 -7.367 1.00 0.00 H new ATOM 0 HB2 PRO A 117 13.452 -0.900 -8.240 1.00 0.00 H new ATOM 0 HB3 PRO A 117 14.763 0.148 -7.736 1.00 0.00 H new ATOM 0 HG2 PRO A 117 13.366 -2.020 -6.180 1.00 0.00 H new ATOM 0 HG3 PRO A 117 15.079 -1.659 -6.269 1.00 0.00 H new ATOM 0 HD2 PRO A 117 13.559 -0.858 -4.155 1.00 0.00 H new ATOM 0 HD3 PRO A 117 14.932 0.083 -4.705 1.00 0.00 H new ATOM 1794 N ASN A 118 10.941 -0.789 -6.610 1.00 0.00 N ATOM 1795 CA ASN A 118 9.601 -1.306 -6.856 1.00 0.00 C ATOM 1796 C ASN A 118 8.796 -1.370 -5.561 1.00 0.00 C ATOM 1797 O ASN A 118 9.302 -1.046 -4.487 1.00 0.00 O ATOM 1798 CB ASN A 118 9.677 -2.696 -7.491 1.00 0.00 C ATOM 1799 CG ASN A 118 10.878 -3.487 -7.010 1.00 0.00 C ATOM 1800 OD1 ASN A 118 10.796 -4.003 -5.789 1.00 0.00 O flip ATOM 1801 ND2 ASN A 118 11.868 -3.631 -7.727 1.00 0.00 N flip ATOM 0 H ASN A 118 11.470 -1.306 -5.907 1.00 0.00 H new ATOM 0 HA ASN A 118 9.097 -0.626 -7.543 1.00 0.00 H new ATOM 0 HB2 ASN A 118 8.766 -3.248 -7.260 1.00 0.00 H new ATOM 0 HB3 ASN A 118 9.723 -2.595 -8.575 1.00 0.00 H new ATOM 0 HD21 ASN A 118 11.887 -3.217 -8.659 1.00 0.00 H new ATOM 0 HD22 ASN A 118 12.669 -4.165 -7.389 1.00 0.00 H new ATOM 1808 N ALA A 119 7.540 -1.791 -5.671 1.00 0.00 N ATOM 1809 CA ALA A 119 6.666 -1.899 -4.510 1.00 0.00 C ATOM 1810 C ALA A 119 6.666 -3.319 -3.954 1.00 0.00 C ATOM 1811 O ALA A 119 5.612 -3.881 -3.659 1.00 0.00 O ATOM 1812 CB ALA A 119 5.251 -1.473 -4.872 1.00 0.00 C ATOM 0 H ALA A 119 7.105 -2.063 -6.553 1.00 0.00 H new ATOM 0 HA ALA A 119 7.047 -1.233 -3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 119 4.610 -1.559 -3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 119 5.259 -0.439 -5.216 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.869 -2.116 -5.665 1.00 0.00 H new ATOM 1818 N ALA A 120 7.856 -3.895 -3.814 1.00 0.00 N ATOM 1819 CA ALA A 120 7.993 -5.249 -3.292 1.00 0.00 C ATOM 1820 C ALA A 120 7.974 -5.254 -1.767 1.00 0.00 C ATOM 1821 O ALA A 120 7.062 -5.804 -1.151 1.00 0.00 O ATOM 1822 CB ALA A 120 9.275 -5.886 -3.808 1.00 0.00 C ATOM 0 H ALA A 120 8.739 -3.445 -4.055 1.00 0.00 H new ATOM 0 HA ALA A 120 7.143 -5.835 -3.642 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.365 -6.897 -3.410 1.00 0.00 H new ATOM 0 HB2 ALA A 120 9.249 -5.925 -4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 120 10.131 -5.293 -3.487 1.00 0.00 H new ATOM 1828 N ASN A 121 8.986 -4.639 -1.165 1.00 0.00 N ATOM 1829 CA ASN A 121 9.086 -4.574 0.288 1.00 0.00 C ATOM 1830 C ASN A 121 7.862 -3.887 0.887 1.00 0.00 C ATOM 1831 O ASN A 121 7.233 -4.408 1.809 1.00 0.00 O ATOM 1832 CB ASN A 121 10.356 -3.827 0.700 1.00 0.00 C ATOM 1833 CG ASN A 121 11.567 -4.260 -0.103 1.00 0.00 C ATOM 1834 OD1 ASN A 121 11.970 -3.586 -1.052 1.00 0.00 O ATOM 1835 ND2 ASN A 121 12.154 -5.389 0.274 1.00 0.00 N ATOM 0 H ASN A 121 9.749 -4.178 -1.661 1.00 0.00 H new ATOM 0 HA ASN A 121 9.132 -5.594 0.670 1.00 0.00 H new ATOM 0 HB2 ASN A 121 10.202 -2.756 0.571 1.00 0.00 H new ATOM 0 HB3 ASN A 121 10.546 -3.997 1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 121 12.973 -5.730 -0.229 1.00 0.00 H new ATOM 0 HD22 ASN A 121 11.786 -5.915 1.066 1.00 0.00 H new ATOM 1842 N VAL A 122 7.529 -2.715 0.357 1.00 0.00 N ATOM 1843 CA VAL A 122 6.380 -1.957 0.837 1.00 0.00 C ATOM 1844 C VAL A 122 5.113 -2.804 0.809 1.00 0.00 C ATOM 1845 O VAL A 122 4.437 -2.963 1.825 1.00 0.00 O ATOM 1846 CB VAL A 122 6.154 -0.686 -0.004 1.00 0.00 C ATOM 1847 CG1 VAL A 122 4.923 0.064 0.482 1.00 0.00 C ATOM 1848 CG2 VAL A 122 7.385 0.207 0.041 1.00 0.00 C ATOM 0 H VAL A 122 8.039 -2.269 -0.406 1.00 0.00 H new ATOM 0 HA VAL A 122 6.598 -1.669 1.865 1.00 0.00 H new ATOM 0 HB VAL A 122 5.984 -0.981 -1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 122 4.779 0.959 -0.124 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.047 -0.579 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 122 5.059 0.350 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 122 7.209 1.100 -0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 122 7.587 0.496 1.072 1.00 0.00 H new ATOM 0 HG23 VAL A 122 8.242 -0.335 -0.359 1.00 0.00 H new ATOM 1858 N SER A 123 4.796 -3.345 -0.363 1.00 0.00 N ATOM 1859 CA SER A 123 3.607 -4.174 -0.526 1.00 0.00 C ATOM 1860 C SER A 123 3.672 -5.401 0.379 1.00 0.00 C ATOM 1861 O SER A 123 2.670 -5.803 0.969 1.00 0.00 O ATOM 1862 CB SER A 123 3.458 -4.609 -1.985 1.00 0.00 C ATOM 1863 OG SER A 123 4.389 -5.627 -2.310 1.00 0.00 O ATOM 0 H SER A 123 5.346 -3.224 -1.214 1.00 0.00 H new ATOM 0 HA SER A 123 2.738 -3.580 -0.242 1.00 0.00 H new ATOM 0 HB2 SER A 123 2.444 -4.970 -2.159 1.00 0.00 H new ATOM 0 HB3 SER A 123 3.608 -3.751 -2.641 1.00 0.00 H new ATOM 0 HG SER A 123 5.249 -5.221 -2.547 1.00 0.00 H new ATOM 1869 N GLU A 124 4.859 -5.990 0.482 1.00 0.00 N ATOM 1870 CA GLU A 124 5.055 -7.172 1.313 1.00 0.00 C ATOM 1871 C GLU A 124 4.752 -6.863 2.777 1.00 0.00 C ATOM 1872 O GLU A 124 4.132 -7.665 3.475 1.00 0.00 O ATOM 1873 CB GLU A 124 6.489 -7.687 1.176 1.00 0.00 C ATOM 1874 CG GLU A 124 6.829 -8.807 2.145 1.00 0.00 C ATOM 1875 CD GLU A 124 8.323 -9.000 2.313 1.00 0.00 C ATOM 1876 OE1 GLU A 124 9.005 -8.031 2.711 1.00 0.00 O ATOM 1877 OE2 GLU A 124 8.812 -10.118 2.048 1.00 0.00 O ATOM 0 H GLU A 124 5.699 -5.668 0.001 1.00 0.00 H new ATOM 0 HA GLU A 124 4.365 -7.944 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.643 -8.041 0.157 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.180 -6.859 1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 124 6.383 -8.590 3.116 1.00 0.00 H new ATOM 0 HG3 GLU A 124 6.384 -9.737 1.790 1.00 0.00 H new ATOM 1884 N ALA A 125 5.194 -5.696 3.233 1.00 0.00 N ATOM 1885 CA ALA A 125 4.970 -5.281 4.612 1.00 0.00 C ATOM 1886 C ALA A 125 3.482 -5.107 4.898 1.00 0.00 C ATOM 1887 O ALA A 125 2.948 -5.694 5.839 1.00 0.00 O ATOM 1888 CB ALA A 125 5.719 -3.989 4.903 1.00 0.00 C ATOM 0 H ALA A 125 5.709 -5.021 2.668 1.00 0.00 H new ATOM 0 HA ALA A 125 5.351 -6.064 5.267 1.00 0.00 H new ATOM 0 HB1 ALA A 125 5.542 -3.691 5.937 1.00 0.00 H new ATOM 0 HB2 ALA A 125 6.787 -4.144 4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 125 5.365 -3.205 4.234 1.00 0.00 H new ATOM 1894 N VAL A 126 2.817 -4.297 4.080 1.00 0.00 N ATOM 1895 CA VAL A 126 1.390 -4.047 4.245 1.00 0.00 C ATOM 1896 C VAL A 126 0.588 -5.337 4.119 1.00 0.00 C ATOM 1897 O VAL A 126 -0.282 -5.620 4.942 1.00 0.00 O ATOM 1898 CB VAL A 126 0.876 -3.031 3.208 1.00 0.00 C ATOM 1899 CG1 VAL A 126 1.204 -3.495 1.797 1.00 0.00 C ATOM 1900 CG2 VAL A 126 -0.621 -2.815 3.372 1.00 0.00 C ATOM 0 H VAL A 126 3.244 -3.803 3.296 1.00 0.00 H new ATOM 0 HA VAL A 126 1.253 -3.635 5.245 1.00 0.00 H new ATOM 0 HB VAL A 126 1.379 -2.079 3.377 1.00 0.00 H new ATOM 0 HG11 VAL A 126 0.833 -2.764 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 126 2.284 -3.595 1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 126 0.730 -4.459 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 126 -0.968 -2.094 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 126 -1.143 -3.761 3.230 1.00 0.00 H new ATOM 0 HG23 VAL A 126 -0.826 -2.434 4.373 1.00 0.00 H new ATOM 1910 N GLN A 127 0.887 -6.114 3.083 1.00 0.00 N ATOM 1911 CA GLN A 127 0.193 -7.375 2.849 1.00 0.00 C ATOM 1912 C GLN A 127 0.197 -8.240 4.105 1.00 0.00 C ATOM 1913 O GLN A 127 -0.858 -8.591 4.632 1.00 0.00 O ATOM 1914 CB GLN A 127 0.844 -8.133 1.691 1.00 0.00 C ATOM 1915 CG GLN A 127 0.344 -9.561 1.541 1.00 0.00 C ATOM 1916 CD GLN A 127 0.814 -10.211 0.255 1.00 0.00 C ATOM 1917 OE1 GLN A 127 0.088 -10.245 -0.739 1.00 0.00 O ATOM 1918 NE2 GLN A 127 2.035 -10.733 0.267 1.00 0.00 N ATOM 0 H GLN A 127 1.605 -5.893 2.393 1.00 0.00 H new ATOM 0 HA GLN A 127 -0.841 -7.148 2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 127 0.657 -7.592 0.763 1.00 0.00 H new ATOM 0 HB3 GLN A 127 1.924 -8.149 1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 127 0.687 -10.153 2.389 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -0.746 -9.565 1.569 1.00 0.00 H new ATOM 0 HE21 GLN A 127 2.603 -10.683 1.113 1.00 0.00 H new ATOM 0 HE22 GLN A 127 2.405 -11.184 -0.570 1.00 0.00 H new ATOM 1927 N ALA A 128 1.391 -8.580 4.579 1.00 0.00 N ATOM 1928 CA ALA A 128 1.533 -9.403 5.774 1.00 0.00 C ATOM 1929 C ALA A 128 0.808 -8.777 6.961 1.00 0.00 C ATOM 1930 O ALA A 128 0.153 -9.472 7.737 1.00 0.00 O ATOM 1931 CB ALA A 128 3.004 -9.609 6.101 1.00 0.00 C ATOM 0 H ALA A 128 2.274 -8.298 4.154 1.00 0.00 H new ATOM 0 HA ALA A 128 1.077 -10.373 5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.095 -10.225 6.995 1.00 0.00 H new ATOM 0 HB2 ALA A 128 3.496 -10.107 5.266 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.477 -8.643 6.277 1.00 0.00 H new ATOM 1937 N ALA A 129 0.929 -7.460 7.095 1.00 0.00 N ATOM 1938 CA ALA A 129 0.284 -6.741 8.186 1.00 0.00 C ATOM 1939 C ALA A 129 -1.104 -7.304 8.470 1.00 0.00 C ATOM 1940 O ALA A 129 -1.522 -7.398 9.624 1.00 0.00 O ATOM 1941 CB ALA A 129 0.198 -5.257 7.861 1.00 0.00 C ATOM 0 H ALA A 129 1.468 -6.870 6.461 1.00 0.00 H new ATOM 0 HA ALA A 129 0.890 -6.871 9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -0.286 -4.732 8.684 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.202 -4.858 7.716 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -0.383 -5.117 6.950 1.00 0.00 H new ATOM 1947 N CYS A 130 -1.814 -7.675 7.410 1.00 0.00 N ATOM 1948 CA CYS A 130 -3.158 -8.228 7.546 1.00 0.00 C ATOM 1949 C CYS A 130 -3.119 -9.589 8.233 1.00 0.00 C ATOM 1950 O CYS A 130 -3.659 -9.760 9.325 1.00 0.00 O ATOM 1951 CB CYS A 130 -3.820 -8.354 6.174 1.00 0.00 C ATOM 1952 SG CYS A 130 -3.947 -6.794 5.269 1.00 0.00 S ATOM 0 H CYS A 130 -1.482 -7.603 6.448 1.00 0.00 H new ATOM 0 HA CYS A 130 -3.744 -7.547 8.163 1.00 0.00 H new ATOM 0 HB2 CYS A 130 -3.253 -9.065 5.573 1.00 0.00 H new ATOM 0 HB3 CYS A 130 -4.819 -8.770 6.302 1.00 0.00 H new ATOM 0 HG CYS A 130 -4.189 -7.038 4.015 1.00 0.00 H new ATOM 2337 N HIS A 163 6.046 -12.086 -6.583 1.00 0.00 N ATOM 2338 CA HIS A 163 5.065 -11.609 -5.615 1.00 0.00 C ATOM 2339 C HIS A 163 4.355 -10.361 -6.131 1.00 0.00 C ATOM 2340 O HIS A 163 3.151 -10.193 -5.935 1.00 0.00 O ATOM 2341 CB HIS A 163 5.741 -11.309 -4.277 1.00 0.00 C ATOM 2342 CG HIS A 163 4.934 -10.417 -3.385 1.00 0.00 C ATOM 2343 ND1 HIS A 163 5.252 -9.249 -2.779 1.00 0.00 N flip ATOM 2344 CD2 HIS A 163 3.632 -10.692 -3.023 1.00 0.00 C flip ATOM 2345 CE1 HIS A 163 4.148 -8.843 -2.071 1.00 0.00 C flip ATOM 2346 NE2 HIS A 163 3.184 -9.731 -2.235 1.00 0.00 N flip ATOM 0 HA HIS A 163 4.323 -12.394 -5.470 1.00 0.00 H new ATOM 0 HB2 HIS A 163 5.935 -12.248 -3.759 1.00 0.00 H new ATOM 0 HB3 HIS A 163 6.708 -10.843 -4.464 1.00 0.00 H new ATOM 0 HD1 HIS A 163 6.146 -8.761 -2.838 1.00 0.00 H new ATOM 0 HD2 HIS A 163 3.067 -11.558 -3.335 1.00 0.00 H new ATOM 0 HE1 HIS A 163 4.079 -7.944 -1.477 1.00 0.00 H new ATOM 2354 N LEU A 164 5.109 -9.487 -6.790 1.00 0.00 N ATOM 2355 CA LEU A 164 4.552 -8.253 -7.333 1.00 0.00 C ATOM 2356 C LEU A 164 3.438 -8.552 -8.331 1.00 0.00 C ATOM 2357 O LEU A 164 2.431 -7.845 -8.382 1.00 0.00 O ATOM 2358 CB LEU A 164 5.650 -7.430 -8.009 1.00 0.00 C ATOM 2359 CG LEU A 164 6.540 -6.606 -7.078 1.00 0.00 C ATOM 2360 CD1 LEU A 164 7.817 -6.188 -7.791 1.00 0.00 C ATOM 2361 CD2 LEU A 164 5.790 -5.385 -6.566 1.00 0.00 C ATOM 0 H LEU A 164 6.107 -9.610 -6.961 1.00 0.00 H new ATOM 0 HA LEU A 164 4.131 -7.679 -6.508 1.00 0.00 H new ATOM 0 HB2 LEU A 164 6.285 -8.108 -8.580 1.00 0.00 H new ATOM 0 HB3 LEU A 164 5.181 -6.754 -8.724 1.00 0.00 H new ATOM 0 HG LEU A 164 6.811 -7.226 -6.224 1.00 0.00 H new ATOM 0 HD11 LEU A 164 8.438 -5.603 -7.113 1.00 0.00 H new ATOM 0 HD12 LEU A 164 8.364 -7.076 -8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 164 7.566 -5.586 -8.664 1.00 0.00 H new ATOM 0 HD21 LEU A 164 6.439 -4.810 -5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 164 5.489 -4.763 -7.409 1.00 0.00 H new ATOM 0 HD23 LEU A 164 4.905 -5.706 -6.017 1.00 0.00 H new ATOM 2373 N SER A 165 3.624 -9.604 -9.121 1.00 0.00 N ATOM 2374 CA SER A 165 2.635 -9.995 -10.119 1.00 0.00 C ATOM 2375 C SER A 165 1.331 -10.422 -9.452 1.00 0.00 C ATOM 2376 O SER A 165 0.271 -9.850 -9.711 1.00 0.00 O ATOM 2377 CB SER A 165 3.176 -11.136 -10.983 1.00 0.00 C ATOM 2378 OG SER A 165 3.325 -12.324 -10.226 1.00 0.00 O ATOM 0 H SER A 165 4.450 -10.201 -9.090 1.00 0.00 H new ATOM 0 HA SER A 165 2.433 -9.132 -10.753 1.00 0.00 H new ATOM 0 HB2 SER A 165 2.499 -11.316 -11.818 1.00 0.00 H new ATOM 0 HB3 SER A 165 4.138 -10.849 -11.408 1.00 0.00 H new ATOM 0 HG SER A 165 3.670 -13.038 -10.802 1.00 0.00 H new ATOM 2384 N LYS A 166 1.415 -11.431 -8.592 1.00 0.00 N ATOM 2385 CA LYS A 166 0.244 -11.935 -7.886 1.00 0.00 C ATOM 2386 C LYS A 166 -0.676 -10.791 -7.471 1.00 0.00 C ATOM 2387 O LYS A 166 -1.898 -10.903 -7.559 1.00 0.00 O ATOM 2388 CB LYS A 166 0.671 -12.734 -6.652 1.00 0.00 C ATOM 2389 CG LYS A 166 1.354 -14.049 -6.985 1.00 0.00 C ATOM 2390 CD LYS A 166 1.345 -14.998 -5.798 1.00 0.00 C ATOM 2391 CE LYS A 166 1.739 -16.408 -6.209 1.00 0.00 C ATOM 2392 NZ LYS A 166 0.671 -17.071 -7.008 1.00 0.00 N ATOM 0 H LYS A 166 2.283 -11.916 -8.367 1.00 0.00 H new ATOM 0 HA LYS A 166 -0.303 -12.590 -8.564 1.00 0.00 H new ATOM 0 HB2 LYS A 166 1.347 -12.125 -6.051 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -0.207 -12.936 -6.038 1.00 0.00 H new ATOM 0 HG2 LYS A 166 0.851 -14.518 -7.831 1.00 0.00 H new ATOM 0 HG3 LYS A 166 2.382 -13.858 -7.292 1.00 0.00 H new ATOM 0 HD2 LYS A 166 2.033 -14.635 -5.035 1.00 0.00 H new ATOM 0 HD3 LYS A 166 0.351 -15.013 -5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 166 2.660 -16.373 -6.792 1.00 0.00 H new ATOM 0 HE3 LYS A 166 1.948 -17.001 -5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 0.855 -18.094 -7.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -0.252 -16.905 -6.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 0.663 -16.678 -7.971 1.00 0.00 H new ATOM 2406 N MET A 167 -0.080 -9.693 -7.020 1.00 0.00 N ATOM 2407 CA MET A 167 -0.846 -8.528 -6.594 1.00 0.00 C ATOM 2408 C MET A 167 -1.540 -7.870 -7.783 1.00 0.00 C ATOM 2409 O MET A 167 -2.740 -7.598 -7.739 1.00 0.00 O ATOM 2410 CB MET A 167 0.067 -7.516 -5.898 1.00 0.00 C ATOM 2411 CG MET A 167 0.772 -8.077 -4.674 1.00 0.00 C ATOM 2412 SD MET A 167 1.110 -6.817 -3.429 1.00 0.00 S ATOM 2413 CE MET A 167 -0.065 -7.274 -2.157 1.00 0.00 C ATOM 0 H MET A 167 0.931 -9.585 -6.940 1.00 0.00 H new ATOM 0 HA MET A 167 -1.608 -8.863 -5.890 1.00 0.00 H new ATOM 0 HB2 MET A 167 0.815 -7.164 -6.609 1.00 0.00 H new ATOM 0 HB3 MET A 167 -0.524 -6.649 -5.602 1.00 0.00 H new ATOM 0 HG2 MET A 167 0.157 -8.862 -4.233 1.00 0.00 H new ATOM 0 HG3 MET A 167 1.710 -8.541 -4.980 1.00 0.00 H new ATOM 0 HE1 MET A 167 -0.467 -6.374 -1.692 1.00 0.00 H new ATOM 0 HE2 MET A 167 -0.879 -7.847 -2.602 1.00 0.00 H new ATOM 0 HE3 MET A 167 0.434 -7.880 -1.401 1.00 0.00 H new ATOM 2423 N GLN A 168 -0.778 -7.617 -8.842 1.00 0.00 N ATOM 2424 CA GLN A 168 -1.321 -6.990 -10.041 1.00 0.00 C ATOM 2425 C GLN A 168 -2.308 -7.918 -10.742 1.00 0.00 C ATOM 2426 O GLN A 168 -3.096 -7.482 -11.579 1.00 0.00 O ATOM 2427 CB GLN A 168 -0.191 -6.610 -10.999 1.00 0.00 C ATOM 2428 CG GLN A 168 0.900 -5.773 -10.352 1.00 0.00 C ATOM 2429 CD GLN A 168 2.169 -5.727 -11.180 1.00 0.00 C ATOM 2430 OE1 GLN A 168 3.110 -6.483 -10.938 1.00 0.00 O ATOM 2431 NE2 GLN A 168 2.201 -4.837 -12.165 1.00 0.00 N ATOM 0 H GLN A 168 0.217 -7.836 -8.894 1.00 0.00 H new ATOM 0 HA GLN A 168 -1.852 -6.087 -9.740 1.00 0.00 H new ATOM 0 HB2 GLN A 168 0.252 -7.520 -11.403 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -0.610 -6.058 -11.841 1.00 0.00 H new ATOM 0 HG2 GLN A 168 0.532 -4.758 -10.201 1.00 0.00 H new ATOM 0 HG3 GLN A 168 1.128 -6.179 -9.367 1.00 0.00 H new ATOM 0 HE21 GLN A 168 1.398 -4.230 -12.330 1.00 0.00 H new ATOM 0 HE22 GLN A 168 3.028 -4.760 -12.756 1.00 0.00 H new ATOM 2440 N GLN A 169 -2.256 -9.200 -10.393 1.00 0.00 N ATOM 2441 CA GLN A 169 -3.145 -10.189 -10.990 1.00 0.00 C ATOM 2442 C GLN A 169 -4.501 -10.196 -10.291 1.00 0.00 C ATOM 2443 O GLN A 169 -5.495 -9.721 -10.838 1.00 0.00 O ATOM 2444 CB GLN A 169 -2.515 -11.581 -10.918 1.00 0.00 C ATOM 2445 CG GLN A 169 -1.322 -11.757 -11.844 1.00 0.00 C ATOM 2446 CD GLN A 169 -1.715 -11.770 -13.308 1.00 0.00 C ATOM 2447 OE1 GLN A 169 -2.899 -11.820 -13.644 1.00 0.00 O ATOM 2448 NE2 GLN A 169 -0.723 -11.724 -14.188 1.00 0.00 N ATOM 0 H GLN A 169 -1.609 -9.577 -9.701 1.00 0.00 H new ATOM 0 HA GLN A 169 -3.297 -9.919 -12.035 1.00 0.00 H new ATOM 0 HB2 GLN A 169 -2.201 -11.776 -9.893 1.00 0.00 H new ATOM 0 HB3 GLN A 169 -3.271 -12.326 -11.167 1.00 0.00 H new ATOM 0 HG2 GLN A 169 -0.610 -10.950 -11.670 1.00 0.00 H new ATOM 0 HG3 GLN A 169 -0.813 -12.689 -11.600 1.00 0.00 H new ATOM 0 HE21 GLN A 169 0.244 -11.683 -13.865 1.00 0.00 H new ATOM 0 HE22 GLN A 169 -0.927 -11.729 -15.187 1.00 0.00 H new ATOM 2457 N ASN A 170 -4.533 -10.738 -9.077 1.00 0.00 N ATOM 2458 CA ASN A 170 -5.767 -10.807 -8.303 1.00 0.00 C ATOM 2459 C ASN A 170 -5.762 -9.775 -7.179 1.00 0.00 C ATOM 2460 O ASN A 170 -6.731 -9.041 -6.993 1.00 0.00 O ATOM 2461 CB ASN A 170 -5.951 -12.210 -7.722 1.00 0.00 C ATOM 2462 CG ASN A 170 -4.842 -12.587 -6.759 1.00 0.00 C ATOM 2463 OD1 ASN A 170 -5.009 -12.511 -5.542 1.00 0.00 O ATOM 2464 ND2 ASN A 170 -3.701 -12.997 -7.301 1.00 0.00 N ATOM 0 H ASN A 170 -3.719 -11.135 -8.609 1.00 0.00 H new ATOM 0 HA ASN A 170 -6.599 -10.586 -8.971 1.00 0.00 H new ATOM 0 HB2 ASN A 170 -6.910 -12.264 -7.207 1.00 0.00 H new ATOM 0 HB3 ASN A 170 -5.985 -12.935 -8.535 1.00 0.00 H new ATOM 0 HD21 ASN A 170 -2.919 -13.264 -6.703 1.00 0.00 H new ATOM 0 HD22 ASN A 170 -3.606 -13.045 -8.315 1.00 0.00 H new ATOM 2471 N GLY A 171 -4.663 -9.726 -6.433 1.00 0.00 N ATOM 2472 CA GLY A 171 -4.553 -8.782 -5.336 1.00 0.00 C ATOM 2473 C GLY A 171 -5.040 -9.359 -4.022 1.00 0.00 C ATOM 2474 O GLY A 171 -5.533 -10.486 -3.976 1.00 0.00 O ATOM 0 H GLY A 171 -3.847 -10.323 -6.568 1.00 0.00 H new ATOM 0 HA2 GLY A 171 -3.513 -8.473 -5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 171 -5.129 -7.887 -5.572 1.00 0.00 H new ATOM 2478 N TYR A 172 -4.899 -8.586 -2.951 1.00 0.00 N ATOM 2479 CA TYR A 172 -5.325 -9.029 -1.628 1.00 0.00 C ATOM 2480 C TYR A 172 -6.631 -8.354 -1.222 1.00 0.00 C ATOM 2481 O TYR A 172 -6.720 -7.127 -1.177 1.00 0.00 O ATOM 2482 CB TYR A 172 -4.239 -8.729 -0.593 1.00 0.00 C ATOM 2483 CG TYR A 172 -4.438 -9.453 0.719 1.00 0.00 C ATOM 2484 CD1 TYR A 172 -4.423 -10.841 0.779 1.00 0.00 C ATOM 2485 CD2 TYR A 172 -4.641 -8.749 1.900 1.00 0.00 C ATOM 2486 CE1 TYR A 172 -4.604 -11.507 1.976 1.00 0.00 C ATOM 2487 CE2 TYR A 172 -4.822 -9.406 3.101 1.00 0.00 C ATOM 2488 CZ TYR A 172 -4.803 -10.785 3.134 1.00 0.00 C ATOM 2489 OH TYR A 172 -4.984 -11.443 4.329 1.00 0.00 O ATOM 0 H TYR A 172 -4.493 -7.650 -2.973 1.00 0.00 H new ATOM 0 HA TYR A 172 -5.491 -10.105 -1.669 1.00 0.00 H new ATOM 0 HB2 TYR A 172 -3.269 -9.004 -1.007 1.00 0.00 H new ATOM 0 HB3 TYR A 172 -4.213 -7.655 -0.406 1.00 0.00 H new ATOM 0 HD1 TYR A 172 -4.267 -11.409 -0.126 1.00 0.00 H new ATOM 0 HD2 TYR A 172 -4.657 -7.669 1.878 1.00 0.00 H new ATOM 0 HE1 TYR A 172 -4.590 -12.587 2.005 1.00 0.00 H new ATOM 0 HE2 TYR A 172 -4.978 -8.843 4.010 1.00 0.00 H new ATOM 0 HH TYR A 172 -5.110 -10.788 5.047 1.00 0.00 H new ATOM 2499 N GLU A 173 -7.642 -9.165 -0.926 1.00 0.00 N ATOM 2500 CA GLU A 173 -8.944 -8.646 -0.523 1.00 0.00 C ATOM 2501 C GLU A 173 -9.113 -8.717 0.992 1.00 0.00 C ATOM 2502 O GLU A 173 -9.520 -9.743 1.534 1.00 0.00 O ATOM 2503 CB GLU A 173 -10.065 -9.431 -1.209 1.00 0.00 C ATOM 2504 CG GLU A 173 -9.961 -9.440 -2.725 1.00 0.00 C ATOM 2505 CD GLU A 173 -10.575 -10.681 -3.344 1.00 0.00 C ATOM 2506 OE1 GLU A 173 -11.808 -10.700 -3.538 1.00 0.00 O ATOM 2507 OE2 GLU A 173 -9.821 -11.634 -3.634 1.00 0.00 O ATOM 0 H GLU A 173 -7.585 -10.183 -0.958 1.00 0.00 H new ATOM 0 HA GLU A 173 -9.001 -7.601 -0.829 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -10.052 -10.459 -0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -11.025 -9.003 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -10.457 -8.556 -3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -8.912 -9.375 -3.014 1.00 0.00 H new ATOM 2514 N ASN A 174 -8.796 -7.617 1.668 1.00 0.00 N ATOM 2515 CA ASN A 174 -8.912 -7.554 3.121 1.00 0.00 C ATOM 2516 C ASN A 174 -10.154 -8.297 3.601 1.00 0.00 C ATOM 2517 O ASN A 174 -11.273 -7.785 3.550 1.00 0.00 O ATOM 2518 CB ASN A 174 -8.964 -6.097 3.586 1.00 0.00 C ATOM 2519 CG ASN A 174 -9.335 -5.971 5.051 1.00 0.00 C ATOM 2520 OD1 ASN A 174 -8.424 -5.422 5.847 1.00 0.00 O flip ATOM 2521 ND2 ASN A 174 -10.428 -6.361 5.461 1.00 0.00 N flip ATOM 0 H ASN A 174 -8.457 -6.758 1.234 1.00 0.00 H new ATOM 0 HA ASN A 174 -8.034 -8.035 3.552 1.00 0.00 H new ATOM 0 HB2 ASN A 174 -7.993 -5.630 3.418 1.00 0.00 H new ATOM 0 HB3 ASN A 174 -9.689 -5.551 2.982 1.00 0.00 H new ATOM 0 HD21 ASN A 174 -11.097 -6.777 4.813 1.00 0.00 H new ATOM 0 HD22 ASN A 174 -10.665 -6.268 6.449 1.00 0.00 H new