USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 622 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 47 SER OG : rot 41:sc= 0.256! USER MOD Set 1.2: A 48 CYS SG : rot 80:sc= -1.28 USER MOD Set 2.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 28 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 13 SER OG : rot 113:sc= 0.0855 USER MOD Set 3.2: A 83 HIS : no HD1:sc= 1.07 K(o=1.2,f=-5.2!) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot -100:sc= -0.734 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot -140:sc= -0.917 USER MOD Single : A 30 THR OG1 : rot 143:sc= 0.96 USER MOD Single : A 35 LYS NZ :NH3+ -139:sc= 0.547 (180deg=0.0676) USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -165:sc= 0.00981 USER MOD Single : A 49 MET CE :methyl 166:sc= -4.34! (180deg=-5.12!) USER MOD Single : A 54 TYR OH : rot -3:sc= 1.21 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.641 F(o=-1.4,f=-0.64) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 30:sc= 0 USER MOD Single : A 80 CYS SG : rot 110:sc= -0.62 USER MOD Single : A 87 HIS : no HD1:sc= -0.401 X(o=-0.4,f=-0.45) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.308 -8.762 9.661 1.00 0.00 N ATOM 60 CA GLY A 7 0.536 -7.738 8.655 1.00 0.00 C ATOM 61 C GLY A 7 1.087 -6.459 9.290 1.00 0.00 C ATOM 62 O GLY A 7 1.773 -6.513 10.309 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.237 -8.108 7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.397 -7.518 8.137 1.00 0.00 H new ATOM 66 N VAL A 8 0.765 -5.339 8.660 1.00 0.00 N ATOM 67 CA VAL A 8 1.219 -4.049 9.150 1.00 0.00 C ATOM 68 C VAL A 8 0.141 -2.997 8.879 1.00 0.00 C ATOM 69 O VAL A 8 -0.319 -2.852 7.748 1.00 0.00 O ATOM 70 CB VAL A 8 2.569 -3.696 8.522 1.00 0.00 C ATOM 71 CG1 VAL A 8 3.719 -4.014 9.480 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.756 -4.414 7.184 1.00 0.00 C ATOM 0 H VAL A 8 0.195 -5.298 7.815 1.00 0.00 H new ATOM 0 HA VAL A 8 1.376 -4.084 10.228 1.00 0.00 H new ATOM 0 HB VAL A 8 2.579 -2.623 8.331 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.667 -3.754 9.009 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.599 -3.437 10.397 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.711 -5.078 9.717 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.723 -4.146 6.759 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.715 -5.492 7.341 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.963 -4.117 6.498 1.00 0.00 H new ATOM 82 N MET A 9 -0.230 -2.291 9.936 1.00 0.00 N ATOM 83 CA MET A 9 -1.245 -1.257 9.827 1.00 0.00 C ATOM 84 C MET A 9 -0.696 -0.023 9.108 1.00 0.00 C ATOM 85 O MET A 9 0.020 0.780 9.704 1.00 0.00 O ATOM 86 CB MET A 9 -1.725 -0.862 11.225 1.00 0.00 C ATOM 87 CG MET A 9 -3.223 -1.124 11.386 1.00 0.00 C ATOM 88 SD MET A 9 -3.957 0.135 12.416 1.00 0.00 S ATOM 89 CE MET A 9 -5.528 -0.633 12.773 1.00 0.00 C ATOM 0 H MET A 9 0.154 -2.414 10.873 1.00 0.00 H new ATOM 0 HA MET A 9 -2.078 -1.652 9.246 1.00 0.00 H new ATOM 0 HB2 MET A 9 -1.171 -1.425 11.976 1.00 0.00 H new ATOM 0 HB3 MET A 9 -1.516 0.193 11.400 1.00 0.00 H new ATOM 0 HG2 MET A 9 -3.706 -1.133 10.409 1.00 0.00 H new ATOM 0 HG3 MET A 9 -3.383 -2.107 11.829 1.00 0.00 H new ATOM 0 HE1 MET A 9 -6.118 0.025 13.412 1.00 0.00 H new ATOM 0 HE2 MET A 9 -6.065 -0.812 11.842 1.00 0.00 H new ATOM 0 HE3 MET A 9 -5.362 -1.581 13.284 1.00 0.00 H new ATOM 99 N VAL A 10 -1.053 0.089 7.837 1.00 0.00 N ATOM 100 CA VAL A 10 -0.605 1.211 7.030 1.00 0.00 C ATOM 101 C VAL A 10 -1.819 2.028 6.581 1.00 0.00 C ATOM 102 O VAL A 10 -2.876 1.468 6.295 1.00 0.00 O ATOM 103 CB VAL A 10 0.243 0.709 5.860 1.00 0.00 C ATOM 104 CG1 VAL A 10 1.395 -0.168 6.355 1.00 0.00 C ATOM 105 CG2 VAL A 10 -0.617 -0.040 4.841 1.00 0.00 C ATOM 0 H VAL A 10 -1.647 -0.579 7.346 1.00 0.00 H new ATOM 0 HA VAL A 10 0.033 1.872 7.616 1.00 0.00 H new ATOM 0 HB VAL A 10 0.673 1.577 5.361 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.982 -0.512 5.504 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.031 0.411 7.025 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.993 -1.029 6.890 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.011 -0.386 4.020 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -1.089 -0.896 5.323 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.386 0.628 4.453 1.00 0.00 H new ATOM 115 N PHE A 11 -1.626 3.338 6.534 1.00 0.00 N ATOM 116 CA PHE A 11 -2.692 4.237 6.125 1.00 0.00 C ATOM 117 C PHE A 11 -2.629 4.514 4.622 1.00 0.00 C ATOM 118 O PHE A 11 -1.778 5.273 4.162 1.00 0.00 O ATOM 119 CB PHE A 11 -2.485 5.550 6.883 1.00 0.00 C ATOM 120 CG PHE A 11 -3.212 5.614 8.227 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.504 6.037 8.282 1.00 0.00 C ATOM 122 CD2 PHE A 11 -2.568 5.247 9.367 1.00 0.00 C ATOM 123 CE1 PHE A 11 -5.179 6.097 9.530 1.00 0.00 C ATOM 124 CE2 PHE A 11 -3.243 5.307 10.615 1.00 0.00 C ATOM 125 CZ PHE A 11 -4.534 5.730 10.670 1.00 0.00 C ATOM 0 H PHE A 11 -0.748 3.798 6.772 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.661 3.789 6.344 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.418 5.696 7.051 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.825 6.376 6.258 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.016 6.327 7.377 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -1.543 4.910 9.323 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -6.204 6.434 9.574 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.731 5.017 11.520 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.048 5.775 11.619 1.00 0.00 H new ATOM 135 N ILE A 12 -3.541 3.883 3.897 1.00 0.00 N ATOM 136 CA ILE A 12 -3.600 4.051 2.455 1.00 0.00 C ATOM 137 C ILE A 12 -4.409 5.308 2.126 1.00 0.00 C ATOM 138 O ILE A 12 -5.337 5.661 2.852 1.00 0.00 O ATOM 139 CB ILE A 12 -4.135 2.783 1.789 1.00 0.00 C ATOM 140 CG1 ILE A 12 -3.461 1.535 2.363 1.00 0.00 C ATOM 141 CG2 ILE A 12 -3.995 2.861 0.267 1.00 0.00 C ATOM 142 CD1 ILE A 12 -2.023 1.408 1.857 1.00 0.00 C ATOM 0 H ILE A 12 -4.246 3.254 4.282 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.600 4.199 2.047 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.199 2.705 2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -3.464 1.584 3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.029 0.648 2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.383 1.946 -0.181 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.558 3.716 -0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.944 2.976 0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.566 0.513 2.280 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.025 1.335 0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.452 2.285 2.161 1.00 0.00 H new ATOM 154 N SER A 13 -4.028 5.948 1.030 1.00 0.00 N ATOM 155 CA SER A 13 -4.706 7.157 0.596 1.00 0.00 C ATOM 156 C SER A 13 -4.560 7.324 -0.918 1.00 0.00 C ATOM 157 O SER A 13 -3.752 6.642 -1.546 1.00 0.00 O ATOM 158 CB SER A 13 -4.157 8.388 1.321 1.00 0.00 C ATOM 159 OG SER A 13 -2.736 8.461 1.247 1.00 0.00 O ATOM 0 H SER A 13 -3.258 5.652 0.430 1.00 0.00 H new ATOM 0 HA SER A 13 -5.763 7.064 0.845 1.00 0.00 H new ATOM 0 HB2 SER A 13 -4.590 9.289 0.885 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.465 8.360 2.366 1.00 0.00 H new ATOM 0 HG SER A 13 -2.476 9.232 0.701 1.00 0.00 H new ATOM 165 N SER A 14 -5.355 8.235 -1.460 1.00 0.00 N ATOM 166 CA SER A 14 -5.324 8.500 -2.889 1.00 0.00 C ATOM 167 C SER A 14 -5.974 9.853 -3.184 1.00 0.00 C ATOM 168 O SER A 14 -6.751 10.362 -2.377 1.00 0.00 O ATOM 169 CB SER A 14 -6.031 7.390 -3.670 1.00 0.00 C ATOM 170 OG SER A 14 -7.331 7.118 -3.153 1.00 0.00 O ATOM 0 H SER A 14 -6.024 8.799 -0.936 1.00 0.00 H new ATOM 0 HA SER A 14 -4.283 8.527 -3.210 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.111 7.678 -4.718 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.429 6.482 -3.634 1.00 0.00 H new ATOM 0 HG SER A 14 -7.297 6.320 -2.585 1.00 0.00 H new ATOM 176 N SER A 15 -5.632 10.398 -4.342 1.00 0.00 N ATOM 177 CA SER A 15 -6.172 11.682 -4.754 1.00 0.00 C ATOM 178 C SER A 15 -7.642 11.529 -5.150 1.00 0.00 C ATOM 179 O SER A 15 -8.377 12.513 -5.213 1.00 0.00 O ATOM 180 CB SER A 15 -5.368 12.271 -5.914 1.00 0.00 C ATOM 181 OG SER A 15 -5.636 13.659 -6.099 1.00 0.00 O ATOM 0 H SER A 15 -4.987 9.973 -5.008 1.00 0.00 H new ATOM 0 HA SER A 15 -6.099 12.370 -3.911 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.304 12.129 -5.726 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.605 11.731 -6.831 1.00 0.00 H new ATOM 0 HG SER A 15 -5.102 13.998 -6.848 1.00 0.00 H new ATOM 187 N LEU A 16 -8.026 10.287 -5.407 1.00 0.00 N ATOM 188 CA LEU A 16 -9.395 9.993 -5.796 1.00 0.00 C ATOM 189 C LEU A 16 -10.312 10.157 -4.582 1.00 0.00 C ATOM 190 O LEU A 16 -11.295 10.894 -4.638 1.00 0.00 O ATOM 191 CB LEU A 16 -9.481 8.612 -6.449 1.00 0.00 C ATOM 192 CG LEU A 16 -8.574 8.385 -7.660 1.00 0.00 C ATOM 193 CD1 LEU A 16 -7.838 7.048 -7.551 1.00 0.00 C ATOM 194 CD2 LEU A 16 -9.364 8.499 -8.965 1.00 0.00 C ATOM 0 H LEU A 16 -7.413 9.473 -5.353 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.737 10.700 -6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.243 7.861 -5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.513 8.441 -6.756 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.817 9.169 -7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.200 6.911 -8.424 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.225 7.043 -6.650 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.564 6.236 -7.501 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.696 8.334 -9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.157 7.751 -8.977 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.803 9.494 -9.039 1.00 0.00 H new ATOM 206 N ASN A 17 -9.957 9.459 -3.513 1.00 0.00 N ATOM 207 CA ASN A 17 -10.735 9.519 -2.288 1.00 0.00 C ATOM 208 C ASN A 17 -10.300 10.737 -1.471 1.00 0.00 C ATOM 209 O ASN A 17 -11.096 11.305 -0.725 1.00 0.00 O ATOM 210 CB ASN A 17 -10.511 8.270 -1.432 1.00 0.00 C ATOM 211 CG ASN A 17 -11.526 7.179 -1.778 1.00 0.00 C ATOM 212 OD1 ASN A 17 -12.481 6.933 -1.059 1.00 0.00 O ATOM 213 ND2 ASN A 17 -11.267 6.540 -2.915 1.00 0.00 N ATOM 0 H ASN A 17 -9.141 8.849 -3.470 1.00 0.00 H new ATOM 0 HA ASN A 17 -11.788 9.586 -2.560 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -9.500 7.894 -1.589 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.595 8.528 -0.376 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -11.885 5.794 -3.233 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.450 6.796 -3.469 1.00 0.00 H new ATOM 220 N SER A 18 -9.038 11.102 -1.640 1.00 0.00 N ATOM 221 CA SER A 18 -8.487 12.243 -0.927 1.00 0.00 C ATOM 222 C SER A 18 -8.211 11.866 0.530 1.00 0.00 C ATOM 223 O SER A 18 -7.069 11.921 0.983 1.00 0.00 O ATOM 224 CB SER A 18 -9.433 13.443 -0.995 1.00 0.00 C ATOM 225 OG SER A 18 -8.786 14.604 -1.511 1.00 0.00 O ATOM 0 H SER A 18 -8.381 10.628 -2.260 1.00 0.00 H new ATOM 0 HA SER A 18 -7.550 12.526 -1.406 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.289 13.195 -1.623 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.820 13.656 0.001 1.00 0.00 H new ATOM 0 HG SER A 18 -9.423 15.348 -1.540 1.00 0.00 H new ATOM 231 N PHE A 19 -9.276 11.491 1.223 1.00 0.00 N ATOM 232 CA PHE A 19 -9.163 11.105 2.619 1.00 0.00 C ATOM 233 C PHE A 19 -8.276 9.868 2.776 1.00 0.00 C ATOM 234 O PHE A 19 -7.925 9.222 1.789 1.00 0.00 O ATOM 235 CB PHE A 19 -10.574 10.771 3.106 1.00 0.00 C ATOM 236 CG PHE A 19 -11.247 11.902 3.887 1.00 0.00 C ATOM 237 CD1 PHE A 19 -10.707 12.334 5.058 1.00 0.00 C ATOM 238 CD2 PHE A 19 -12.384 12.474 3.410 1.00 0.00 C ATOM 239 CE1 PHE A 19 -11.331 13.384 5.783 1.00 0.00 C ATOM 240 CE2 PHE A 19 -13.009 13.524 4.135 1.00 0.00 C ATOM 241 CZ PHE A 19 -12.469 13.957 5.306 1.00 0.00 C ATOM 0 H PHE A 19 -10.222 11.446 0.843 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.715 11.915 3.194 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -11.194 10.518 2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.529 9.884 3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -9.804 11.879 5.437 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.812 12.130 2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.902 13.727 6.713 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -13.913 13.978 3.756 1.00 0.00 H new ATOM 0 HZ PHE A 19 -12.944 14.756 5.857 1.00 0.00 H new ATOM 251 N ARG A 20 -7.939 9.575 4.023 1.00 0.00 N ATOM 252 CA ARG A 20 -7.099 8.428 4.322 1.00 0.00 C ATOM 253 C ARG A 20 -7.963 7.223 4.700 1.00 0.00 C ATOM 254 O ARG A 20 -9.025 7.380 5.300 1.00 0.00 O ATOM 255 CB ARG A 20 -6.134 8.735 5.468 1.00 0.00 C ATOM 256 CG ARG A 20 -4.963 9.592 4.984 1.00 0.00 C ATOM 257 CD ARG A 20 -5.114 11.041 5.452 1.00 0.00 C ATOM 258 NE ARG A 20 -3.980 11.410 6.329 1.00 0.00 N ATOM 259 CZ ARG A 20 -3.932 11.152 7.643 1.00 0.00 C ATOM 260 NH1 ARG A 20 -4.952 10.522 8.240 1.00 0.00 N ATOM 261 NH2 ARG A 20 -2.863 11.524 8.360 1.00 0.00 N ATOM 0 H ARG A 20 -8.233 10.112 4.839 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.520 8.199 3.428 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.665 9.255 6.266 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.757 7.803 5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.026 9.180 5.360 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.910 9.561 3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.151 11.708 4.591 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.055 11.162 5.989 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.186 11.891 5.907 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.766 10.238 7.694 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.915 10.326 9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.086 12.004 7.906 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.826 11.328 9.360 1.00 0.00 H new ATOM 275 N SER A 21 -7.474 6.047 4.335 1.00 0.00 N ATOM 276 CA SER A 21 -8.188 4.816 4.628 1.00 0.00 C ATOM 277 C SER A 21 -7.389 3.972 5.623 1.00 0.00 C ATOM 278 O SER A 21 -6.220 4.254 5.883 1.00 0.00 O ATOM 279 CB SER A 21 -8.457 4.017 3.351 1.00 0.00 C ATOM 280 OG SER A 21 -9.653 4.437 2.701 1.00 0.00 O ATOM 0 H SER A 21 -6.592 5.921 3.839 1.00 0.00 H new ATOM 0 HA SER A 21 -9.149 5.076 5.071 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.615 4.130 2.669 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.530 2.957 3.595 1.00 0.00 H new ATOM 0 HG SER A 21 -9.789 3.904 1.890 1.00 0.00 H new ATOM 286 N GLU A 22 -8.051 2.954 6.153 1.00 0.00 N ATOM 287 CA GLU A 22 -7.417 2.067 7.114 1.00 0.00 C ATOM 288 C GLU A 22 -7.473 0.621 6.618 1.00 0.00 C ATOM 289 O GLU A 22 -8.499 -0.045 6.747 1.00 0.00 O ATOM 290 CB GLU A 22 -8.066 2.200 8.493 1.00 0.00 C ATOM 291 CG GLU A 22 -7.088 1.800 9.599 1.00 0.00 C ATOM 292 CD GLU A 22 -7.410 2.529 10.906 1.00 0.00 C ATOM 293 OE1 GLU A 22 -6.952 3.685 11.038 1.00 0.00 O ATOM 294 OE2 GLU A 22 -8.107 1.915 11.742 1.00 0.00 O ATOM 0 H GLU A 22 -9.020 2.724 5.935 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.371 2.356 7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.394 3.228 8.647 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.955 1.571 8.543 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.134 0.723 9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.069 2.033 9.290 1.00 0.00 H new ATOM 301 N LYS A 23 -6.355 0.176 6.062 1.00 0.00 N ATOM 302 CA LYS A 23 -6.264 -1.179 5.546 1.00 0.00 C ATOM 303 C LYS A 23 -5.024 -1.860 6.130 1.00 0.00 C ATOM 304 O LYS A 23 -4.223 -1.220 6.810 1.00 0.00 O ATOM 305 CB LYS A 23 -6.299 -1.174 4.017 1.00 0.00 C ATOM 306 CG LYS A 23 -7.734 -1.035 3.502 1.00 0.00 C ATOM 307 CD LYS A 23 -8.211 -2.334 2.850 1.00 0.00 C ATOM 308 CE LYS A 23 -9.167 -2.046 1.691 1.00 0.00 C ATOM 309 NZ LYS A 23 -10.439 -2.781 1.873 1.00 0.00 N ATOM 0 H LYS A 23 -5.505 0.730 5.958 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.128 -1.765 5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.692 -0.352 3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.860 -2.096 3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.396 -0.774 4.327 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.788 -0.220 2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.353 -2.899 2.487 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.711 -2.956 3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.364 -0.976 1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.703 -2.337 0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.076 -2.574 1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.248 -3.803 1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.888 -2.483 2.763 1.00 0.00 H new ATOM 323 N ARG A 24 -4.905 -3.148 5.844 1.00 0.00 N ATOM 324 CA ARG A 24 -3.777 -3.922 6.332 1.00 0.00 C ATOM 325 C ARG A 24 -3.187 -4.771 5.204 1.00 0.00 C ATOM 326 O ARG A 24 -3.892 -5.135 4.264 1.00 0.00 O ATOM 327 CB ARG A 24 -4.194 -4.837 7.485 1.00 0.00 C ATOM 328 CG ARG A 24 -3.506 -4.426 8.788 1.00 0.00 C ATOM 329 CD ARG A 24 -4.533 -4.168 9.892 1.00 0.00 C ATOM 330 NE ARG A 24 -3.886 -4.270 11.220 1.00 0.00 N ATOM 331 CZ ARG A 24 -4.556 -4.355 12.377 1.00 0.00 C ATOM 332 NH1 ARG A 24 -5.895 -4.349 12.378 1.00 0.00 N ATOM 333 NH2 ARG A 24 -3.885 -4.445 13.534 1.00 0.00 N ATOM 0 H ARG A 24 -5.572 -3.675 5.280 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.026 -3.220 6.694 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.276 -4.797 7.613 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.939 -5.869 7.245 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.817 -5.210 9.103 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.912 -3.528 8.622 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.972 -3.178 9.767 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.347 -4.889 9.819 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.867 -4.276 11.256 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.405 -4.280 11.498 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.405 -4.414 13.259 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.865 -4.449 13.533 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.394 -4.510 14.415 1.00 0.00 H new ATOM 347 N TYR A 25 -1.901 -5.060 5.334 1.00 0.00 N ATOM 348 CA TYR A 25 -1.209 -5.859 4.337 1.00 0.00 C ATOM 349 C TYR A 25 0.012 -6.554 4.943 1.00 0.00 C ATOM 350 O TYR A 25 0.609 -6.052 5.894 1.00 0.00 O ATOM 351 CB TYR A 25 -0.741 -4.878 3.261 1.00 0.00 C ATOM 352 CG TYR A 25 -1.835 -3.932 2.764 1.00 0.00 C ATOM 353 CD1 TYR A 25 -2.135 -2.788 3.476 1.00 0.00 C ATOM 354 CD2 TYR A 25 -2.522 -4.221 1.602 1.00 0.00 C ATOM 355 CE1 TYR A 25 -3.165 -1.898 3.008 1.00 0.00 C ATOM 356 CE2 TYR A 25 -3.552 -3.331 1.134 1.00 0.00 C ATOM 357 CZ TYR A 25 -3.823 -2.213 1.860 1.00 0.00 C ATOM 358 OH TYR A 25 -4.796 -1.372 1.417 1.00 0.00 O ATOM 0 H TYR A 25 -1.320 -4.755 6.115 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.867 -6.632 3.940 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.084 -4.286 3.657 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.351 -5.442 2.414 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.597 -2.561 4.384 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.287 -5.115 1.044 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.410 -1.000 3.556 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.097 -3.546 0.227 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.548 -1.896 1.069 1.00 0.00 H new ATOM 368 N SER A 26 0.348 -7.699 4.367 1.00 0.00 N ATOM 369 CA SER A 26 1.487 -8.468 4.838 1.00 0.00 C ATOM 370 C SER A 26 2.780 -7.909 4.240 1.00 0.00 C ATOM 371 O SER A 26 2.919 -7.830 3.020 1.00 0.00 O ATOM 372 CB SER A 26 1.336 -9.949 4.485 1.00 0.00 C ATOM 373 OG SER A 26 2.362 -10.745 5.072 1.00 0.00 O ATOM 0 H SER A 26 -0.149 -8.113 3.578 1.00 0.00 H new ATOM 0 HA SER A 26 1.530 -8.384 5.924 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.363 -10.305 4.823 1.00 0.00 H new ATOM 0 HB3 SER A 26 1.360 -10.068 3.402 1.00 0.00 H new ATOM 0 HG SER A 26 2.229 -11.684 4.825 1.00 0.00 H new ATOM 379 N ARG A 27 3.691 -7.536 5.125 1.00 0.00 N ATOM 380 CA ARG A 27 4.967 -6.987 4.700 1.00 0.00 C ATOM 381 C ARG A 27 5.538 -7.806 3.540 1.00 0.00 C ATOM 382 O ARG A 27 6.311 -7.292 2.734 1.00 0.00 O ATOM 383 CB ARG A 27 5.975 -6.977 5.852 1.00 0.00 C ATOM 384 CG ARG A 27 5.590 -5.938 6.907 1.00 0.00 C ATOM 385 CD ARG A 27 6.799 -5.551 7.761 1.00 0.00 C ATOM 386 NE ARG A 27 6.515 -5.815 9.189 1.00 0.00 N ATOM 387 CZ ARG A 27 7.452 -5.857 10.146 1.00 0.00 C ATOM 388 NH1 ARG A 27 8.739 -5.652 9.834 1.00 0.00 N ATOM 389 NH2 ARG A 27 7.102 -6.103 11.416 1.00 0.00 N ATOM 0 H ARG A 27 3.571 -7.603 6.136 1.00 0.00 H new ATOM 0 HA ARG A 27 4.794 -5.961 4.375 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.020 -7.965 6.309 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.971 -6.758 5.467 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.186 -5.051 6.419 1.00 0.00 H new ATOM 0 HG3 ARG A 27 4.802 -6.337 7.545 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.674 -6.118 7.445 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.034 -4.496 7.617 1.00 0.00 H new ATOM 0 HE ARG A 27 5.545 -5.975 9.462 1.00 0.00 H new ATOM 0 HH11 ARG A 27 9.006 -5.464 8.868 1.00 0.00 H new ATOM 0 HH12 ARG A 27 9.452 -5.684 10.563 1.00 0.00 H new ATOM 0 HH21 ARG A 27 6.122 -6.258 11.654 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.815 -6.135 12.145 1.00 0.00 H new ATOM 403 N SER A 28 5.133 -9.067 3.493 1.00 0.00 N ATOM 404 CA SER A 28 5.594 -9.962 2.445 1.00 0.00 C ATOM 405 C SER A 28 5.096 -9.474 1.083 1.00 0.00 C ATOM 406 O SER A 28 5.832 -9.515 0.098 1.00 0.00 O ATOM 407 CB SER A 28 5.124 -11.395 2.699 1.00 0.00 C ATOM 408 OG SER A 28 5.450 -11.839 4.014 1.00 0.00 O ATOM 0 H SER A 28 4.491 -9.490 4.163 1.00 0.00 H new ATOM 0 HA SER A 28 6.684 -9.959 2.448 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.045 -11.454 2.554 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.581 -12.061 1.968 1.00 0.00 H new ATOM 0 HG SER A 28 5.132 -12.758 4.137 1.00 0.00 H new ATOM 414 N LEU A 29 3.851 -9.022 1.072 1.00 0.00 N ATOM 415 CA LEU A 29 3.246 -8.526 -0.153 1.00 0.00 C ATOM 416 C LEU A 29 4.280 -7.713 -0.934 1.00 0.00 C ATOM 417 O LEU A 29 4.812 -6.727 -0.427 1.00 0.00 O ATOM 418 CB LEU A 29 1.963 -7.753 0.158 1.00 0.00 C ATOM 419 CG LEU A 29 0.673 -8.574 0.175 1.00 0.00 C ATOM 420 CD1 LEU A 29 -0.554 -7.667 0.285 1.00 0.00 C ATOM 421 CD2 LEU A 29 0.595 -9.499 -1.041 1.00 0.00 C ATOM 0 H LEU A 29 3.244 -8.989 1.891 1.00 0.00 H new ATOM 0 HA LEU A 29 2.944 -9.356 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.078 -7.274 1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.854 -6.957 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 29 0.684 -9.208 1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.457 -8.277 0.295 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.497 -7.088 1.207 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.583 -6.989 -0.568 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.332 -10.071 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.617 -8.903 -1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.444 -10.183 -1.033 1.00 0.00 H new ATOM 433 N THR A 30 4.534 -8.156 -2.157 1.00 0.00 N ATOM 434 CA THR A 30 5.495 -7.482 -3.013 1.00 0.00 C ATOM 435 C THR A 30 4.915 -6.164 -3.530 1.00 0.00 C ATOM 436 O THR A 30 3.743 -6.098 -3.896 1.00 0.00 O ATOM 437 CB THR A 30 5.894 -8.450 -4.129 1.00 0.00 C ATOM 438 OG1 THR A 30 4.677 -8.696 -4.828 1.00 0.00 O ATOM 439 CG2 THR A 30 6.302 -9.824 -3.595 1.00 0.00 C ATOM 0 H THR A 30 4.091 -8.974 -2.575 1.00 0.00 H new ATOM 0 HA THR A 30 6.395 -7.211 -2.461 1.00 0.00 H new ATOM 0 HB THR A 30 6.719 -8.024 -4.700 1.00 0.00 H new ATOM 0 HG1 THR A 30 4.860 -8.769 -5.788 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.575 -10.472 -4.428 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.155 -9.715 -2.925 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.467 -10.266 -3.051 1.00 0.00 H new ATOM 447 N ILE A 31 5.764 -5.146 -3.544 1.00 0.00 N ATOM 448 CA ILE A 31 5.351 -3.834 -4.011 1.00 0.00 C ATOM 449 C ILE A 31 4.363 -3.996 -5.167 1.00 0.00 C ATOM 450 O ILE A 31 3.336 -3.320 -5.211 1.00 0.00 O ATOM 451 CB ILE A 31 6.572 -2.980 -4.360 1.00 0.00 C ATOM 452 CG1 ILE A 31 7.509 -2.846 -3.158 1.00 0.00 C ATOM 453 CG2 ILE A 31 6.149 -1.618 -4.912 1.00 0.00 C ATOM 454 CD1 ILE A 31 6.740 -2.409 -1.909 1.00 0.00 C ATOM 0 H ILE A 31 6.736 -5.204 -3.239 1.00 0.00 H new ATOM 0 HA ILE A 31 4.830 -3.295 -3.220 1.00 0.00 H new ATOM 0 HB ILE A 31 7.129 -3.487 -5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.004 -3.799 -2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.291 -2.120 -3.381 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.036 -1.031 -5.152 1.00 0.00 H new ATOM 0 HG22 ILE A 31 5.553 -1.760 -5.814 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.556 -1.091 -4.165 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.429 -2.321 -1.069 1.00 0.00 H new ATOM 0 HD12 ILE A 31 6.267 -1.444 -2.092 1.00 0.00 H new ATOM 0 HD13 ILE A 31 5.975 -3.150 -1.675 1.00 0.00 H new ATOM 466 N ALA A 32 4.707 -4.896 -6.076 1.00 0.00 N ATOM 467 CA ALA A 32 3.864 -5.155 -7.230 1.00 0.00 C ATOM 468 C ALA A 32 2.494 -5.645 -6.755 1.00 0.00 C ATOM 469 O ALA A 32 1.469 -5.054 -7.093 1.00 0.00 O ATOM 470 CB ALA A 32 4.554 -6.162 -8.152 1.00 0.00 C ATOM 0 H ALA A 32 5.559 -5.455 -6.036 1.00 0.00 H new ATOM 0 HA ALA A 32 3.708 -4.241 -7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.921 -6.356 -9.018 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.509 -5.756 -8.485 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.724 -7.093 -7.611 1.00 0.00 H new ATOM 476 N GLU A 33 2.521 -6.718 -5.980 1.00 0.00 N ATOM 477 CA GLU A 33 1.294 -7.293 -5.455 1.00 0.00 C ATOM 478 C GLU A 33 0.553 -6.268 -4.594 1.00 0.00 C ATOM 479 O GLU A 33 -0.651 -6.073 -4.754 1.00 0.00 O ATOM 480 CB GLU A 33 1.582 -8.569 -4.661 1.00 0.00 C ATOM 481 CG GLU A 33 1.925 -9.731 -5.596 1.00 0.00 C ATOM 482 CD GLU A 33 2.414 -9.217 -6.952 1.00 0.00 C ATOM 483 OE1 GLU A 33 1.544 -9.000 -7.823 1.00 0.00 O ATOM 484 OE2 GLU A 33 3.646 -9.054 -7.087 1.00 0.00 O ATOM 0 H GLU A 33 3.373 -7.205 -5.702 1.00 0.00 H new ATOM 0 HA GLU A 33 0.654 -7.563 -6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.409 -8.395 -3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.714 -8.829 -4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.694 -10.354 -5.140 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.047 -10.361 -5.737 1.00 0.00 H new ATOM 491 N PHE A 34 1.303 -5.641 -3.700 1.00 0.00 N ATOM 492 CA PHE A 34 0.732 -4.641 -2.814 1.00 0.00 C ATOM 493 C PHE A 34 -0.219 -3.714 -3.574 1.00 0.00 C ATOM 494 O PHE A 34 -1.339 -3.467 -3.130 1.00 0.00 O ATOM 495 CB PHE A 34 1.896 -3.816 -2.262 1.00 0.00 C ATOM 496 CG PHE A 34 1.478 -2.758 -1.238 1.00 0.00 C ATOM 497 CD1 PHE A 34 0.223 -2.776 -0.714 1.00 0.00 C ATOM 498 CD2 PHE A 34 2.362 -1.799 -0.852 1.00 0.00 C ATOM 499 CE1 PHE A 34 -0.164 -1.794 0.235 1.00 0.00 C ATOM 500 CE2 PHE A 34 1.974 -0.817 0.098 1.00 0.00 C ATOM 501 CZ PHE A 34 0.719 -0.836 0.621 1.00 0.00 C ATOM 0 H PHE A 34 2.301 -5.806 -3.570 1.00 0.00 H new ATOM 0 HA PHE A 34 0.165 -5.127 -2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.618 -4.489 -1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.404 -3.324 -3.091 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.479 -3.537 -1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.359 -1.784 -1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.161 -1.808 0.651 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.676 -0.055 0.405 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.424 -0.089 1.343 1.00 0.00 H new ATOM 511 N LYS A 35 0.263 -3.225 -4.708 1.00 0.00 N ATOM 512 CA LYS A 35 -0.530 -2.330 -5.534 1.00 0.00 C ATOM 513 C LYS A 35 -1.788 -3.061 -6.007 1.00 0.00 C ATOM 514 O LYS A 35 -2.894 -2.533 -5.901 1.00 0.00 O ATOM 515 CB LYS A 35 0.317 -1.762 -6.674 1.00 0.00 C ATOM 516 CG LYS A 35 1.556 -1.047 -6.133 1.00 0.00 C ATOM 517 CD LYS A 35 2.705 -1.102 -7.142 1.00 0.00 C ATOM 518 CE LYS A 35 3.385 0.262 -7.273 1.00 0.00 C ATOM 519 NZ LYS A 35 3.119 0.848 -8.606 1.00 0.00 N ATOM 0 H LYS A 35 1.192 -3.432 -5.074 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.861 -1.468 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.621 -2.568 -7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.280 -1.066 -7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.312 -0.008 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.867 -1.510 -5.196 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.435 -1.848 -6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 35 2.326 -1.418 -8.114 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.021 0.933 -6.495 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.459 0.155 -7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.986 1.295 -8.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.816 0.099 -9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.368 1.563 -8.527 1.00 0.00 H new ATOM 533 N CYS A 36 -1.578 -4.265 -6.518 1.00 0.00 N ATOM 534 CA CYS A 36 -2.681 -5.073 -7.008 1.00 0.00 C ATOM 535 C CYS A 36 -3.852 -4.929 -6.034 1.00 0.00 C ATOM 536 O CYS A 36 -5.011 -4.925 -6.447 1.00 0.00 O ATOM 537 CB CYS A 36 -2.271 -6.536 -7.195 1.00 0.00 C ATOM 538 SG CYS A 36 -3.190 -7.268 -8.599 1.00 0.00 S ATOM 0 H CYS A 36 -0.660 -4.701 -6.603 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.984 -4.720 -7.994 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.198 -6.601 -7.378 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.474 -7.099 -6.284 1.00 0.00 H new ATOM 0 HG CYS A 36 -2.834 -8.509 -8.751 1.00 0.00 H new ATOM 544 N LYS A 37 -3.509 -4.814 -4.759 1.00 0.00 N ATOM 545 CA LYS A 37 -4.517 -4.670 -3.723 1.00 0.00 C ATOM 546 C LYS A 37 -5.107 -3.259 -3.784 1.00 0.00 C ATOM 547 O LYS A 37 -6.325 -3.094 -3.825 1.00 0.00 O ATOM 548 CB LYS A 37 -3.936 -5.034 -2.355 1.00 0.00 C ATOM 549 CG LYS A 37 -3.145 -6.342 -2.426 1.00 0.00 C ATOM 550 CD LYS A 37 -3.747 -7.398 -1.498 1.00 0.00 C ATOM 551 CE LYS A 37 -3.420 -8.810 -1.988 1.00 0.00 C ATOM 552 NZ LYS A 37 -4.383 -9.787 -1.432 1.00 0.00 N ATOM 0 H LYS A 37 -2.547 -4.818 -4.420 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.338 -5.367 -3.891 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.287 -4.231 -2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.742 -5.131 -1.628 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.141 -6.713 -3.451 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.107 -6.159 -2.149 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.361 -7.262 -0.488 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.828 -7.268 -1.447 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.451 -8.840 -3.077 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.407 -9.079 -1.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.147 -10.740 -1.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.334 -9.770 -0.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.345 -9.538 -1.737 1.00 0.00 H new ATOM 566 N LEU A 38 -4.216 -2.279 -3.789 1.00 0.00 N ATOM 567 CA LEU A 38 -4.633 -0.889 -3.845 1.00 0.00 C ATOM 568 C LEU A 38 -5.613 -0.701 -5.005 1.00 0.00 C ATOM 569 O LEU A 38 -6.515 0.132 -4.931 1.00 0.00 O ATOM 570 CB LEU A 38 -3.415 0.034 -3.913 1.00 0.00 C ATOM 571 CG LEU A 38 -2.314 -0.230 -2.884 1.00 0.00 C ATOM 572 CD1 LEU A 38 -1.167 0.770 -3.038 1.00 0.00 C ATOM 573 CD2 LEU A 38 -2.883 -0.235 -1.463 1.00 0.00 C ATOM 0 H LEU A 38 -3.206 -2.420 -3.755 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.162 -0.613 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.980 -0.045 -4.909 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.756 1.062 -3.794 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.903 -1.222 -3.071 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.398 0.559 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.739 0.682 -4.037 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.545 1.782 -2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.080 -0.425 -0.750 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.337 0.733 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.638 -1.017 -1.376 1.00 0.00 H new ATOM 585 N GLU A 39 -5.402 -1.489 -6.049 1.00 0.00 N ATOM 586 CA GLU A 39 -6.256 -1.420 -7.223 1.00 0.00 C ATOM 587 C GLU A 39 -7.729 -1.447 -6.811 1.00 0.00 C ATOM 588 O GLU A 39 -8.585 -0.915 -7.516 1.00 0.00 O ATOM 589 CB GLU A 39 -5.938 -2.555 -8.199 1.00 0.00 C ATOM 590 CG GLU A 39 -4.506 -2.441 -8.725 1.00 0.00 C ATOM 591 CD GLU A 39 -4.202 -3.552 -9.731 1.00 0.00 C ATOM 592 OE1 GLU A 39 -5.180 -4.157 -10.222 1.00 0.00 O ATOM 593 OE2 GLU A 39 -2.998 -3.772 -9.987 1.00 0.00 O ATOM 0 H GLU A 39 -4.652 -2.178 -6.107 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.060 -0.478 -7.736 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.071 -3.515 -7.701 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.639 -2.529 -9.033 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.365 -1.469 -9.197 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.804 -2.496 -7.893 1.00 0.00 H new ATOM 600 N LEU A 40 -7.980 -2.073 -5.670 1.00 0.00 N ATOM 601 CA LEU A 40 -9.334 -2.176 -5.155 1.00 0.00 C ATOM 602 C LEU A 40 -9.606 -1.007 -4.207 1.00 0.00 C ATOM 603 O LEU A 40 -10.752 -0.592 -4.039 1.00 0.00 O ATOM 604 CB LEU A 40 -9.563 -3.549 -4.519 1.00 0.00 C ATOM 605 CG LEU A 40 -9.931 -3.548 -3.034 1.00 0.00 C ATOM 606 CD1 LEU A 40 -11.379 -3.097 -2.829 1.00 0.00 C ATOM 607 CD2 LEU A 40 -9.662 -4.915 -2.401 1.00 0.00 C ATOM 0 H LEU A 40 -7.268 -2.514 -5.088 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.056 -2.102 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.357 -4.054 -5.069 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.658 -4.143 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.293 -2.826 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -11.615 -3.105 -1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -11.505 -2.088 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.050 -3.777 -3.355 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.932 -4.887 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.258 -5.674 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.604 -5.159 -2.498 1.00 0.00 H new ATOM 619 N VAL A 41 -8.533 -0.508 -3.611 1.00 0.00 N ATOM 620 CA VAL A 41 -8.641 0.606 -2.684 1.00 0.00 C ATOM 621 C VAL A 41 -8.999 1.876 -3.459 1.00 0.00 C ATOM 622 O VAL A 41 -9.878 2.631 -3.047 1.00 0.00 O ATOM 623 CB VAL A 41 -7.349 0.742 -1.877 1.00 0.00 C ATOM 624 CG1 VAL A 41 -7.456 1.878 -0.858 1.00 0.00 C ATOM 625 CG2 VAL A 41 -6.989 -0.577 -1.191 1.00 0.00 C ATOM 0 H VAL A 41 -7.584 -0.855 -3.752 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.440 0.428 -1.965 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.546 0.989 -2.571 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.524 1.953 -0.298 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.643 2.817 -1.378 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -8.277 1.674 -0.171 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.066 -0.452 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.794 -0.867 -0.515 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.850 -1.353 -1.944 1.00 0.00 H new ATOM 635 N VAL A 42 -8.299 2.072 -4.567 1.00 0.00 N ATOM 636 CA VAL A 42 -8.532 3.237 -5.402 1.00 0.00 C ATOM 637 C VAL A 42 -9.506 2.869 -6.523 1.00 0.00 C ATOM 638 O VAL A 42 -10.299 3.702 -6.960 1.00 0.00 O ATOM 639 CB VAL A 42 -7.200 3.783 -5.923 1.00 0.00 C ATOM 640 CG1 VAL A 42 -6.558 4.726 -4.903 1.00 0.00 C ATOM 641 CG2 VAL A 42 -6.248 2.643 -6.291 1.00 0.00 C ATOM 0 H VAL A 42 -7.571 1.443 -4.905 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.991 4.037 -4.821 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.403 4.356 -6.828 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.613 5.100 -5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -7.228 5.564 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.375 4.187 -3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.309 3.057 -6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.055 2.032 -5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.701 2.027 -7.068 1.00 0.00 H new ATOM 651 N GLY A 43 -9.414 1.621 -6.957 1.00 0.00 N ATOM 652 CA GLY A 43 -10.278 1.133 -8.019 1.00 0.00 C ATOM 653 C GLY A 43 -9.636 1.350 -9.391 1.00 0.00 C ATOM 654 O GLY A 43 -10.331 1.391 -10.405 1.00 0.00 O ATOM 0 H GLY A 43 -8.755 0.933 -6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.478 0.072 -7.871 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.238 1.648 -7.977 1.00 0.00 H new ATOM 658 N SER A 44 -8.318 1.483 -9.378 1.00 0.00 N ATOM 659 CA SER A 44 -7.575 1.695 -10.609 1.00 0.00 C ATOM 660 C SER A 44 -6.480 0.636 -10.748 1.00 0.00 C ATOM 661 O SER A 44 -6.229 -0.129 -9.818 1.00 0.00 O ATOM 662 CB SER A 44 -6.965 3.098 -10.649 1.00 0.00 C ATOM 663 OG SER A 44 -7.248 3.837 -9.465 1.00 0.00 O ATOM 0 H SER A 44 -7.745 1.448 -8.535 1.00 0.00 H new ATOM 0 HA SER A 44 -8.267 1.605 -11.446 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.886 3.020 -10.778 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.352 3.637 -11.514 1.00 0.00 H new ATOM 0 HG SER A 44 -7.050 4.785 -9.616 1.00 0.00 H new ATOM 669 N PRO A 45 -5.841 0.624 -11.949 1.00 0.00 N ATOM 670 CA PRO A 45 -4.779 -0.329 -12.222 1.00 0.00 C ATOM 671 C PRO A 45 -3.489 0.066 -11.500 1.00 0.00 C ATOM 672 O PRO A 45 -3.130 1.242 -11.462 1.00 0.00 O ATOM 673 CB PRO A 45 -4.635 -0.334 -13.735 1.00 0.00 C ATOM 674 CG PRO A 45 -5.292 0.948 -14.221 1.00 0.00 C ATOM 675 CD PRO A 45 -6.112 1.515 -13.073 1.00 0.00 C ATOM 0 HA PRO A 45 -5.006 -1.329 -11.853 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -3.586 -0.370 -14.027 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.117 -1.209 -14.170 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.537 1.666 -14.542 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.929 0.748 -15.083 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -5.819 2.540 -12.845 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.174 1.534 -13.316 1.00 0.00 H new ATOM 683 N ALA A 46 -2.828 -0.939 -10.945 1.00 0.00 N ATOM 684 CA ALA A 46 -1.585 -0.712 -10.227 1.00 0.00 C ATOM 685 C ALA A 46 -0.535 -0.162 -11.194 1.00 0.00 C ATOM 686 O ALA A 46 0.459 0.425 -10.769 1.00 0.00 O ATOM 687 CB ALA A 46 -1.137 -2.012 -9.557 1.00 0.00 C ATOM 0 H ALA A 46 -3.130 -1.913 -10.978 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.727 0.028 -9.439 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.205 -1.841 -9.019 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.904 -2.344 -8.858 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.982 -2.778 -10.317 1.00 0.00 H new ATOM 693 N SER A 47 -0.790 -0.372 -12.477 1.00 0.00 N ATOM 694 CA SER A 47 0.121 0.095 -13.508 1.00 0.00 C ATOM 695 C SER A 47 -0.131 1.576 -13.797 1.00 0.00 C ATOM 696 O SER A 47 0.601 2.195 -14.568 1.00 0.00 O ATOM 697 CB SER A 47 -0.028 -0.729 -14.788 1.00 0.00 C ATOM 698 OG SER A 47 -0.254 0.094 -15.929 1.00 0.00 O ATOM 0 H SER A 47 -1.615 -0.860 -12.826 1.00 0.00 H new ATOM 0 HA SER A 47 1.141 -0.029 -13.145 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.872 -1.324 -14.943 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.857 -1.428 -14.675 1.00 0.00 H new ATOM 0 HG SER A 47 0.316 0.890 -15.877 1.00 0.00 H new ATOM 704 N CYS A 48 -1.170 2.101 -13.164 1.00 0.00 N ATOM 705 CA CYS A 48 -1.527 3.498 -13.344 1.00 0.00 C ATOM 706 C CYS A 48 -1.644 4.146 -11.962 1.00 0.00 C ATOM 707 O CYS A 48 -2.428 5.074 -11.773 1.00 0.00 O ATOM 708 CB CYS A 48 -2.814 3.652 -14.157 1.00 0.00 C ATOM 709 SG CYS A 48 -2.613 2.873 -15.800 1.00 0.00 S ATOM 0 H CYS A 48 -1.776 1.584 -12.526 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.750 4.004 -13.917 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.647 3.191 -13.626 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.056 4.708 -14.273 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.771 1.587 -15.693 1.00 0.00 H new ATOM 715 N MET A 49 -0.852 3.630 -11.034 1.00 0.00 N ATOM 716 CA MET A 49 -0.856 4.147 -9.676 1.00 0.00 C ATOM 717 C MET A 49 0.527 4.017 -9.035 1.00 0.00 C ATOM 718 O MET A 49 1.189 2.990 -9.181 1.00 0.00 O ATOM 719 CB MET A 49 -1.880 3.377 -8.840 1.00 0.00 C ATOM 720 CG MET A 49 -1.187 2.491 -7.803 1.00 0.00 C ATOM 721 SD MET A 49 -2.402 1.728 -6.742 1.00 0.00 S ATOM 722 CE MET A 49 -3.745 1.528 -7.901 1.00 0.00 C ATOM 0 H MET A 49 -0.203 2.860 -11.195 1.00 0.00 H new ATOM 0 HA MET A 49 -1.122 5.204 -9.711 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.546 4.079 -8.337 1.00 0.00 H new ATOM 0 HB3 MET A 49 -2.499 2.762 -9.493 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.597 1.724 -8.304 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.495 3.087 -7.208 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.489 0.850 -7.483 1.00 0.00 H new ATOM 0 HE2 MET A 49 -4.206 2.497 -8.095 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.362 1.115 -8.834 1.00 0.00 H new ATOM 732 N GLU A 50 0.924 5.073 -8.340 1.00 0.00 N ATOM 733 CA GLU A 50 2.216 5.090 -7.676 1.00 0.00 C ATOM 734 C GLU A 50 2.040 4.923 -6.166 1.00 0.00 C ATOM 735 O GLU A 50 0.917 4.926 -5.664 1.00 0.00 O ATOM 736 CB GLU A 50 2.982 6.374 -8.000 1.00 0.00 C ATOM 737 CG GLU A 50 4.399 6.060 -8.484 1.00 0.00 C ATOM 738 CD GLU A 50 4.371 5.124 -9.694 1.00 0.00 C ATOM 739 OE1 GLU A 50 4.138 5.643 -10.808 1.00 0.00 O ATOM 740 OE2 GLU A 50 4.582 3.911 -9.479 1.00 0.00 O ATOM 0 H GLU A 50 0.373 5.923 -8.222 1.00 0.00 H new ATOM 0 HA GLU A 50 2.804 4.251 -8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.448 6.936 -8.766 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.028 7.007 -7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 50 4.910 6.986 -8.748 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.969 5.600 -7.677 1.00 0.00 H new ATOM 747 N LEU A 51 3.167 4.780 -5.483 1.00 0.00 N ATOM 748 CA LEU A 51 3.151 4.612 -4.040 1.00 0.00 C ATOM 749 C LEU A 51 4.026 5.688 -3.396 1.00 0.00 C ATOM 750 O LEU A 51 4.807 6.349 -4.079 1.00 0.00 O ATOM 751 CB LEU A 51 3.553 3.185 -3.662 1.00 0.00 C ATOM 752 CG LEU A 51 2.554 2.086 -4.031 1.00 0.00 C ATOM 753 CD1 LEU A 51 3.149 0.698 -3.785 1.00 0.00 C ATOM 754 CD2 LEU A 51 1.228 2.280 -3.292 1.00 0.00 C ATOM 0 H LEU A 51 4.097 4.777 -5.903 1.00 0.00 H new ATOM 0 HA LEU A 51 2.141 4.747 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.506 2.958 -4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.721 3.149 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 51 2.343 2.161 -5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.418 -0.064 -4.055 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.045 0.573 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.408 0.595 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.536 1.486 -3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.403 2.247 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.800 3.246 -3.560 1.00 0.00 H new ATOM 766 N GLU A 52 3.867 5.831 -2.088 1.00 0.00 N ATOM 767 CA GLU A 52 4.633 6.816 -1.344 1.00 0.00 C ATOM 768 C GLU A 52 4.682 6.441 0.139 1.00 0.00 C ATOM 769 O GLU A 52 3.675 6.029 0.712 1.00 0.00 O ATOM 770 CB GLU A 52 4.055 8.219 -1.536 1.00 0.00 C ATOM 771 CG GLU A 52 4.326 8.735 -2.951 1.00 0.00 C ATOM 772 CD GLU A 52 4.283 10.264 -2.994 1.00 0.00 C ATOM 773 OE1 GLU A 52 3.168 10.805 -2.833 1.00 0.00 O ATOM 774 OE2 GLU A 52 5.366 10.857 -3.188 1.00 0.00 O ATOM 0 H GLU A 52 3.219 5.281 -1.525 1.00 0.00 H new ATOM 0 HA GLU A 52 5.652 6.823 -1.731 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.981 8.202 -1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.494 8.900 -0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.301 8.385 -3.289 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.585 8.327 -3.639 1.00 0.00 H new ATOM 781 N LEU A 53 5.864 6.597 0.717 1.00 0.00 N ATOM 782 CA LEU A 53 6.057 6.280 2.122 1.00 0.00 C ATOM 783 C LEU A 53 6.293 7.573 2.904 1.00 0.00 C ATOM 784 O LEU A 53 7.383 8.142 2.856 1.00 0.00 O ATOM 785 CB LEU A 53 7.174 5.247 2.289 1.00 0.00 C ATOM 786 CG LEU A 53 7.776 5.132 3.691 1.00 0.00 C ATOM 787 CD1 LEU A 53 6.739 4.622 4.693 1.00 0.00 C ATOM 788 CD2 LEU A 53 9.036 4.264 3.677 1.00 0.00 C ATOM 0 H LEU A 53 6.697 6.939 0.238 1.00 0.00 H new ATOM 0 HA LEU A 53 5.161 5.817 2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.785 4.270 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.974 5.490 1.590 1.00 0.00 H new ATOM 0 HG LEU A 53 8.075 6.128 4.017 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.193 4.550 5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.898 5.314 4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.386 3.638 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.444 4.199 4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.785 3.265 3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.778 4.710 3.014 1.00 0.00 H new ATOM 800 N TYR A 54 5.255 8.000 3.607 1.00 0.00 N ATOM 801 CA TYR A 54 5.335 9.216 4.399 1.00 0.00 C ATOM 802 C TYR A 54 5.563 8.893 5.877 1.00 0.00 C ATOM 803 O TYR A 54 4.946 7.978 6.419 1.00 0.00 O ATOM 804 CB TYR A 54 3.981 9.911 4.244 1.00 0.00 C ATOM 805 CG TYR A 54 3.780 10.587 2.886 1.00 0.00 C ATOM 806 CD1 TYR A 54 3.353 9.847 1.803 1.00 0.00 C ATOM 807 CD2 TYR A 54 4.027 11.938 2.746 1.00 0.00 C ATOM 808 CE1 TYR A 54 3.165 10.484 0.525 1.00 0.00 C ATOM 809 CE2 TYR A 54 3.838 12.575 1.468 1.00 0.00 C ATOM 810 CZ TYR A 54 3.416 11.816 0.421 1.00 0.00 C ATOM 811 OH TYR A 54 3.238 12.418 -0.786 1.00 0.00 O ATOM 0 H TYR A 54 4.353 7.525 3.645 1.00 0.00 H new ATOM 0 HA TYR A 54 6.165 9.838 4.064 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.189 9.178 4.394 1.00 0.00 H new ATOM 0 HB3 TYR A 54 3.876 10.659 5.030 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.160 8.790 1.913 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.362 12.517 3.594 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.832 9.916 -0.331 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.027 13.631 1.344 1.00 0.00 H new ATOM 0 HH TYR A 54 2.982 11.746 -1.452 1.00 0.00 H new ATOM 821 N GLY A 55 6.452 9.664 6.487 1.00 0.00 N ATOM 822 CA GLY A 55 6.769 9.471 7.892 1.00 0.00 C ATOM 823 C GLY A 55 5.542 9.721 8.771 1.00 0.00 C ATOM 824 O GLY A 55 4.427 9.348 8.407 1.00 0.00 O ATOM 0 H GLY A 55 6.962 10.423 6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 55 7.133 8.456 8.050 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.573 10.147 8.183 1.00 0.00 H new ATOM 828 N ALA A 56 5.787 10.351 9.910 1.00 0.00 N ATOM 829 CA ALA A 56 4.716 10.655 10.844 1.00 0.00 C ATOM 830 C ALA A 56 3.966 11.900 10.365 1.00 0.00 C ATOM 831 O ALA A 56 2.844 11.801 9.870 1.00 0.00 O ATOM 832 CB ALA A 56 5.296 10.828 12.249 1.00 0.00 C ATOM 0 H ALA A 56 6.712 10.660 10.208 1.00 0.00 H new ATOM 0 HA ALA A 56 4.000 9.834 10.887 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.492 11.056 12.949 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.792 9.907 12.554 1.00 0.00 H new ATOM 0 HB3 ALA A 56 6.018 11.645 12.247 1.00 0.00 H new ATOM 838 N ASP A 57 4.616 13.043 10.529 1.00 0.00 N ATOM 839 CA ASP A 57 4.025 14.305 10.119 1.00 0.00 C ATOM 840 C ASP A 57 4.073 14.415 8.594 1.00 0.00 C ATOM 841 O ASP A 57 4.650 15.357 8.053 1.00 0.00 O ATOM 842 CB ASP A 57 4.797 15.490 10.703 1.00 0.00 C ATOM 843 CG ASP A 57 3.965 16.752 10.938 1.00 0.00 C ATOM 844 OD1 ASP A 57 3.050 16.989 10.121 1.00 0.00 O ATOM 845 OD2 ASP A 57 4.263 17.451 11.931 1.00 0.00 O ATOM 0 H ASP A 57 5.546 13.121 10.940 1.00 0.00 H new ATOM 0 HA ASP A 57 2.997 14.329 10.482 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.240 15.184 11.651 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.619 15.735 10.031 1.00 0.00 H new ATOM 850 N ASP A 58 3.459 13.438 7.943 1.00 0.00 N ATOM 851 CA ASP A 58 3.424 13.413 6.490 1.00 0.00 C ATOM 852 C ASP A 58 4.779 13.870 5.944 1.00 0.00 C ATOM 853 O ASP A 58 4.915 15.000 5.478 1.00 0.00 O ATOM 854 CB ASP A 58 2.352 14.361 5.948 1.00 0.00 C ATOM 855 CG ASP A 58 1.963 14.129 4.487 1.00 0.00 C ATOM 856 OD1 ASP A 58 1.921 12.944 4.092 1.00 0.00 O ATOM 857 OD2 ASP A 58 1.716 15.142 3.798 1.00 0.00 O ATOM 0 H ASP A 58 2.982 12.658 8.395 1.00 0.00 H new ATOM 0 HA ASP A 58 3.197 12.394 6.176 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.459 14.266 6.566 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.707 15.386 6.056 1.00 0.00 H new ATOM 862 N LYS A 59 5.746 12.967 6.019 1.00 0.00 N ATOM 863 CA LYS A 59 7.084 13.263 5.538 1.00 0.00 C ATOM 864 C LYS A 59 7.537 12.153 4.587 1.00 0.00 C ATOM 865 O LYS A 59 7.992 11.099 5.029 1.00 0.00 O ATOM 866 CB LYS A 59 8.037 13.492 6.713 1.00 0.00 C ATOM 867 CG LYS A 59 8.199 14.985 7.005 1.00 0.00 C ATOM 868 CD LYS A 59 8.092 15.265 8.506 1.00 0.00 C ATOM 869 CE LYS A 59 9.472 15.251 9.166 1.00 0.00 C ATOM 870 NZ LYS A 59 9.401 15.829 10.527 1.00 0.00 N ATOM 0 H LYS A 59 5.629 12.030 6.406 1.00 0.00 H new ATOM 0 HA LYS A 59 7.087 14.192 4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.656 12.984 7.599 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.009 13.054 6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 59 9.165 15.329 6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.434 15.549 6.471 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.618 16.234 8.666 1.00 0.00 H new ATOM 0 HD3 LYS A 59 7.453 14.516 8.975 1.00 0.00 H new ATOM 0 HE2 LYS A 59 9.847 14.229 9.218 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.178 15.819 8.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 10.346 15.812 10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.064 16.811 10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.743 15.270 11.108 1.00 0.00 H new ATOM 884 N PHE A 60 7.396 12.428 3.299 1.00 0.00 N ATOM 885 CA PHE A 60 7.784 11.466 2.281 1.00 0.00 C ATOM 886 C PHE A 60 9.200 10.944 2.533 1.00 0.00 C ATOM 887 O PHE A 60 10.095 11.711 2.883 1.00 0.00 O ATOM 888 CB PHE A 60 7.754 12.199 0.938 1.00 0.00 C ATOM 889 CG PHE A 60 8.278 11.368 -0.235 1.00 0.00 C ATOM 890 CD1 PHE A 60 9.602 11.391 -0.547 1.00 0.00 C ATOM 891 CD2 PHE A 60 7.420 10.608 -0.967 1.00 0.00 C ATOM 892 CE1 PHE A 60 10.088 10.621 -1.636 1.00 0.00 C ATOM 893 CE2 PHE A 60 7.906 9.838 -2.056 1.00 0.00 C ATOM 894 CZ PHE A 60 9.230 9.860 -2.368 1.00 0.00 C ATOM 0 H PHE A 60 7.018 13.303 2.937 1.00 0.00 H new ATOM 0 HA PHE A 60 7.104 10.614 2.294 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.730 12.504 0.725 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.348 13.110 1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 60 10.283 11.995 0.034 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.369 10.590 -0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 60 11.139 10.639 -1.884 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.224 9.234 -2.637 1.00 0.00 H new ATOM 0 HZ PHE A 60 9.600 9.274 -3.196 1.00 0.00 H new ATOM 904 N TYR A 61 9.358 9.642 2.344 1.00 0.00 N ATOM 905 CA TYR A 61 10.649 9.008 2.546 1.00 0.00 C ATOM 906 C TYR A 61 11.184 8.423 1.237 1.00 0.00 C ATOM 907 O TYR A 61 12.129 8.953 0.656 1.00 0.00 O ATOM 908 CB TYR A 61 10.410 7.869 3.539 1.00 0.00 C ATOM 909 CG TYR A 61 10.580 8.275 5.004 1.00 0.00 C ATOM 910 CD1 TYR A 61 10.589 9.610 5.354 1.00 0.00 C ATOM 911 CD2 TYR A 61 10.725 7.306 5.976 1.00 0.00 C ATOM 912 CE1 TYR A 61 10.749 9.992 6.733 1.00 0.00 C ATOM 913 CE2 TYR A 61 10.886 7.688 7.355 1.00 0.00 C ATOM 914 CZ TYR A 61 10.890 9.012 7.666 1.00 0.00 C ATOM 915 OH TYR A 61 11.041 9.373 8.968 1.00 0.00 O ATOM 0 H TYR A 61 8.613 9.009 2.053 1.00 0.00 H new ATOM 0 HA TYR A 61 11.379 9.732 2.908 1.00 0.00 H new ATOM 0 HB2 TYR A 61 9.402 7.481 3.395 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.100 7.055 3.316 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.476 10.368 4.593 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.718 6.261 5.702 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.757 11.033 7.020 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.001 6.940 8.125 1.00 0.00 H new ATOM 0 HH TYR A 61 11.129 8.570 9.522 1.00 0.00 H new ATOM 925 N SER A 62 10.554 7.337 0.811 1.00 0.00 N ATOM 926 CA SER A 62 10.955 6.675 -0.419 1.00 0.00 C ATOM 927 C SER A 62 9.719 6.321 -1.249 1.00 0.00 C ATOM 928 O SER A 62 8.590 6.497 -0.794 1.00 0.00 O ATOM 929 CB SER A 62 11.774 5.416 -0.125 1.00 0.00 C ATOM 930 OG SER A 62 13.114 5.726 0.247 1.00 0.00 O ATOM 0 H SER A 62 9.770 6.900 1.295 1.00 0.00 H new ATOM 0 HA SER A 62 11.583 7.361 -0.987 1.00 0.00 H new ATOM 0 HB2 SER A 62 11.297 4.852 0.676 1.00 0.00 H new ATOM 0 HB3 SER A 62 11.781 4.774 -1.006 1.00 0.00 H new ATOM 0 HG SER A 62 13.603 4.897 0.428 1.00 0.00 H new ATOM 936 N LYS A 63 9.975 5.830 -2.453 1.00 0.00 N ATOM 937 CA LYS A 63 8.897 5.451 -3.351 1.00 0.00 C ATOM 938 C LYS A 63 8.834 3.925 -3.449 1.00 0.00 C ATOM 939 O LYS A 63 9.842 3.275 -3.721 1.00 0.00 O ATOM 940 CB LYS A 63 9.057 6.148 -4.703 1.00 0.00 C ATOM 941 CG LYS A 63 8.551 7.590 -4.640 1.00 0.00 C ATOM 942 CD LYS A 63 7.342 7.789 -5.556 1.00 0.00 C ATOM 943 CE LYS A 63 7.223 9.249 -5.998 1.00 0.00 C ATOM 944 NZ LYS A 63 7.318 9.353 -7.471 1.00 0.00 N ATOM 0 H LYS A 63 10.913 5.686 -2.827 1.00 0.00 H new ATOM 0 HA LYS A 63 7.937 5.786 -2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.106 6.140 -4.998 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.506 5.599 -5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.279 7.839 -3.614 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.349 8.272 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.435 7.147 -6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.433 7.488 -5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.273 9.662 -5.659 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.012 9.841 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.235 10.350 -7.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.235 8.978 -7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 6.550 8.804 -7.908 1.00 0.00 H new ATOM 958 N LEU A 64 7.640 3.398 -3.221 1.00 0.00 N ATOM 959 CA LEU A 64 7.432 1.962 -3.280 1.00 0.00 C ATOM 960 C LEU A 64 7.184 1.546 -4.732 1.00 0.00 C ATOM 961 O LEU A 64 6.076 1.146 -5.086 1.00 0.00 O ATOM 962 CB LEU A 64 6.316 1.542 -2.321 1.00 0.00 C ATOM 963 CG LEU A 64 6.556 1.843 -0.840 1.00 0.00 C ATOM 964 CD1 LEU A 64 8.033 2.140 -0.573 1.00 0.00 C ATOM 965 CD2 LEU A 64 5.647 2.975 -0.357 1.00 0.00 C ATOM 0 H LEU A 64 6.806 3.941 -2.995 1.00 0.00 H new ATOM 0 HA LEU A 64 8.325 1.434 -2.944 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.395 2.038 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.153 0.470 -2.432 1.00 0.00 H new ATOM 0 HG LEU A 64 6.298 0.954 -0.264 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.176 2.351 0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.635 1.276 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.342 3.005 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.837 3.169 0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.851 3.877 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.604 2.687 -0.491 1.00 0.00 H new ATOM 977 N ASP A 65 8.234 1.655 -5.532 1.00 0.00 N ATOM 978 CA ASP A 65 8.144 1.296 -6.938 1.00 0.00 C ATOM 979 C ASP A 65 8.771 -0.084 -7.148 1.00 0.00 C ATOM 980 O ASP A 65 8.191 -0.938 -7.817 1.00 0.00 O ATOM 981 CB ASP A 65 8.901 2.297 -7.812 1.00 0.00 C ATOM 982 CG ASP A 65 9.492 1.716 -9.097 1.00 0.00 C ATOM 983 OD1 ASP A 65 8.708 1.109 -9.859 1.00 0.00 O ATOM 984 OD2 ASP A 65 10.715 1.890 -9.290 1.00 0.00 O ATOM 0 H ASP A 65 9.151 1.987 -5.234 1.00 0.00 H new ATOM 0 HA ASP A 65 7.091 1.296 -7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.225 3.110 -8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.708 2.733 -7.223 1.00 0.00 H new ATOM 989 N GLN A 66 9.946 -0.260 -6.563 1.00 0.00 N ATOM 990 CA GLN A 66 10.658 -1.521 -6.677 1.00 0.00 C ATOM 991 C GLN A 66 9.695 -2.694 -6.484 1.00 0.00 C ATOM 992 O GLN A 66 9.222 -2.938 -5.375 1.00 0.00 O ATOM 993 CB GLN A 66 11.814 -1.591 -5.678 1.00 0.00 C ATOM 994 CG GLN A 66 12.787 -2.715 -6.042 1.00 0.00 C ATOM 995 CD GLN A 66 13.620 -2.342 -7.271 1.00 0.00 C ATOM 996 OE1 GLN A 66 13.026 -2.615 -8.429 1.00 0.00 O flip ATOM 997 NE2 GLN A 66 14.727 -1.840 -7.173 1.00 0.00 N flip ATOM 0 H GLN A 66 10.423 0.450 -6.008 1.00 0.00 H new ATOM 0 HA GLN A 66 11.083 -1.586 -7.679 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.343 -0.638 -5.662 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.422 -1.755 -4.674 1.00 0.00 H new ATOM 0 HG2 GLN A 66 13.447 -2.917 -5.198 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.232 -3.632 -6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.124 -1.657 -6.252 1.00 0.00 H new ATOM 0 HE22 GLN A 66 15.256 -1.603 -8.013 1.00 0.00 H new ATOM 1006 N GLU A 67 9.432 -3.389 -7.581 1.00 0.00 N ATOM 1007 CA GLU A 67 8.533 -4.530 -7.546 1.00 0.00 C ATOM 1008 C GLU A 67 9.215 -5.722 -6.871 1.00 0.00 C ATOM 1009 O GLU A 67 8.567 -6.495 -6.167 1.00 0.00 O ATOM 1010 CB GLU A 67 8.057 -4.896 -8.954 1.00 0.00 C ATOM 1011 CG GLU A 67 7.561 -3.658 -9.704 1.00 0.00 C ATOM 1012 CD GLU A 67 8.217 -3.553 -11.082 1.00 0.00 C ATOM 1013 OE1 GLU A 67 8.160 -4.563 -11.816 1.00 0.00 O ATOM 1014 OE2 GLU A 67 8.760 -2.465 -11.371 1.00 0.00 O ATOM 0 H GLU A 67 9.826 -3.184 -8.499 1.00 0.00 H new ATOM 0 HA GLU A 67 7.655 -4.259 -6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.873 -5.359 -9.509 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.256 -5.633 -8.891 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.478 -3.706 -9.816 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.783 -2.763 -9.123 1.00 0.00 H new ATOM 1021 N ASP A 68 10.513 -5.834 -7.111 1.00 0.00 N ATOM 1022 CA ASP A 68 11.289 -6.919 -6.535 1.00 0.00 C ATOM 1023 C ASP A 68 11.464 -6.675 -5.035 1.00 0.00 C ATOM 1024 O ASP A 68 11.898 -7.564 -4.304 1.00 0.00 O ATOM 1025 CB ASP A 68 12.681 -6.997 -7.167 1.00 0.00 C ATOM 1026 CG ASP A 68 12.968 -8.285 -7.941 1.00 0.00 C ATOM 1027 OD1 ASP A 68 11.995 -8.851 -8.483 1.00 0.00 O ATOM 1028 OD2 ASP A 68 14.156 -8.674 -7.973 1.00 0.00 O ATOM 0 H ASP A 68 11.047 -5.191 -7.696 1.00 0.00 H new ATOM 0 HA ASP A 68 10.755 -7.851 -6.722 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.805 -6.150 -7.842 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.427 -6.890 -6.380 1.00 0.00 H new ATOM 1033 N ALA A 69 11.118 -5.465 -4.620 1.00 0.00 N ATOM 1034 CA ALA A 69 11.231 -5.092 -3.220 1.00 0.00 C ATOM 1035 C ALA A 69 10.024 -5.636 -2.453 1.00 0.00 C ATOM 1036 O ALA A 69 8.941 -5.786 -3.018 1.00 0.00 O ATOM 1037 CB ALA A 69 11.359 -3.572 -3.105 1.00 0.00 C ATOM 0 H ALA A 69 10.759 -4.730 -5.229 1.00 0.00 H new ATOM 0 HA ALA A 69 12.127 -5.528 -2.777 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.444 -3.292 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.248 -3.240 -3.642 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.477 -3.099 -3.536 1.00 0.00 H new ATOM 1043 N LEU A 70 10.251 -5.916 -1.178 1.00 0.00 N ATOM 1044 CA LEU A 70 9.196 -6.440 -0.328 1.00 0.00 C ATOM 1045 C LEU A 70 8.780 -5.368 0.681 1.00 0.00 C ATOM 1046 O LEU A 70 9.630 -4.743 1.314 1.00 0.00 O ATOM 1047 CB LEU A 70 9.632 -7.756 0.319 1.00 0.00 C ATOM 1048 CG LEU A 70 10.046 -8.871 -0.644 1.00 0.00 C ATOM 1049 CD1 LEU A 70 10.686 -10.038 0.112 1.00 0.00 C ATOM 1050 CD2 LEU A 70 8.863 -9.324 -1.501 1.00 0.00 C ATOM 0 H LEU A 70 11.150 -5.790 -0.713 1.00 0.00 H new ATOM 0 HA LEU A 70 8.314 -6.680 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.469 -7.550 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 70 8.813 -8.123 0.938 1.00 0.00 H new ATOM 0 HG LEU A 70 10.801 -8.473 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.971 -10.817 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.572 -9.687 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.972 -10.443 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.185 -10.117 -2.176 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.068 -9.698 -0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.491 -8.481 -2.083 1.00 0.00 H new ATOM 1062 N LEU A 71 7.473 -5.186 0.799 1.00 0.00 N ATOM 1063 CA LEU A 71 6.934 -4.200 1.720 1.00 0.00 C ATOM 1064 C LEU A 71 7.513 -4.442 3.115 1.00 0.00 C ATOM 1065 O LEU A 71 7.064 -5.336 3.831 1.00 0.00 O ATOM 1066 CB LEU A 71 5.405 -4.208 1.679 1.00 0.00 C ATOM 1067 CG LEU A 71 4.724 -2.840 1.769 1.00 0.00 C ATOM 1068 CD1 LEU A 71 3.230 -2.989 2.063 1.00 0.00 C ATOM 1069 CD2 LEU A 71 5.424 -1.946 2.795 1.00 0.00 C ATOM 0 H LEU A 71 6.771 -5.705 0.272 1.00 0.00 H new ATOM 0 HA LEU A 71 7.232 -3.195 1.420 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.089 -4.689 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.043 -4.827 2.500 1.00 0.00 H new ATOM 0 HG LEU A 71 4.814 -2.349 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.771 -2.002 2.122 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.758 -3.562 1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.096 -3.509 3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.921 -0.980 2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.387 -2.420 3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.464 -1.800 2.501 1.00 0.00 H new ATOM 1081 N GLY A 72 8.501 -3.629 3.461 1.00 0.00 N ATOM 1082 CA GLY A 72 9.145 -3.744 4.758 1.00 0.00 C ATOM 1083 C GLY A 72 10.579 -3.212 4.706 1.00 0.00 C ATOM 1084 O GLY A 72 10.967 -2.383 5.527 1.00 0.00 O ATOM 0 H GLY A 72 8.871 -2.888 2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.574 -3.189 5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.151 -4.787 5.074 1.00 0.00 H new ATOM 1088 N SER A 73 11.327 -3.712 3.733 1.00 0.00 N ATOM 1089 CA SER A 73 12.709 -3.298 3.564 1.00 0.00 C ATOM 1090 C SER A 73 12.816 -1.776 3.668 1.00 0.00 C ATOM 1091 O SER A 73 13.854 -1.249 4.066 1.00 0.00 O ATOM 1092 CB SER A 73 13.268 -3.779 2.223 1.00 0.00 C ATOM 1093 OG SER A 73 13.214 -2.761 1.227 1.00 0.00 O ATOM 0 H SER A 73 11.002 -4.400 3.054 1.00 0.00 H new ATOM 0 HA SER A 73 13.301 -3.752 4.358 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.300 -4.102 2.355 1.00 0.00 H new ATOM 0 HB3 SER A 73 12.703 -4.648 1.885 1.00 0.00 H new ATOM 0 HG SER A 73 13.581 -3.106 0.386 1.00 0.00 H new ATOM 1099 N TYR A 74 11.729 -1.112 3.304 1.00 0.00 N ATOM 1100 CA TYR A 74 11.687 0.340 3.352 1.00 0.00 C ATOM 1101 C TYR A 74 11.448 0.835 4.780 1.00 0.00 C ATOM 1102 O TYR A 74 11.060 0.060 5.653 1.00 0.00 O ATOM 1103 CB TYR A 74 10.505 0.757 2.476 1.00 0.00 C ATOM 1104 CG TYR A 74 10.777 0.655 0.974 1.00 0.00 C ATOM 1105 CD1 TYR A 74 11.671 1.519 0.374 1.00 0.00 C ATOM 1106 CD2 TYR A 74 10.129 -0.301 0.218 1.00 0.00 C ATOM 1107 CE1 TYR A 74 11.927 1.423 -1.040 1.00 0.00 C ATOM 1108 CE2 TYR A 74 10.385 -0.397 -1.195 1.00 0.00 C ATOM 1109 CZ TYR A 74 11.271 0.470 -1.755 1.00 0.00 C ATOM 1110 OH TYR A 74 11.513 0.379 -3.090 1.00 0.00 O ATOM 0 H TYR A 74 10.870 -1.553 2.974 1.00 0.00 H new ATOM 0 HA TYR A 74 12.631 0.763 3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.646 0.133 2.722 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.232 1.785 2.717 1.00 0.00 H new ATOM 0 HD1 TYR A 74 12.178 2.267 0.965 1.00 0.00 H new ATOM 0 HD2 TYR A 74 9.430 -0.977 0.687 1.00 0.00 H new ATOM 0 HE1 TYR A 74 12.624 2.093 -1.522 1.00 0.00 H new ATOM 0 HE2 TYR A 74 9.885 -1.141 -1.797 1.00 0.00 H new ATOM 0 HH TYR A 74 12.430 0.669 -3.277 1.00 0.00 H new ATOM 1120 N PRO A 75 11.697 2.157 4.979 1.00 0.00 N ATOM 1121 CA PRO A 75 11.512 2.764 6.286 1.00 0.00 C ATOM 1122 C PRO A 75 10.027 2.961 6.595 1.00 0.00 C ATOM 1123 O PRO A 75 9.591 4.076 6.878 1.00 0.00 O ATOM 1124 CB PRO A 75 12.285 4.072 6.225 1.00 0.00 C ATOM 1125 CG PRO A 75 12.484 4.369 4.747 1.00 0.00 C ATOM 1126 CD PRO A 75 12.158 3.105 3.969 1.00 0.00 C ATOM 0 HA PRO A 75 11.881 2.136 7.097 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.733 4.875 6.714 1.00 0.00 H new ATOM 0 HB3 PRO A 75 13.243 3.984 6.738 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.838 5.188 4.432 1.00 0.00 H new ATOM 0 HG3 PRO A 75 13.511 4.681 4.555 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.389 3.289 3.218 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.034 2.727 3.442 1.00 0.00 H new ATOM 1134 N VAL A 76 9.291 1.862 6.529 1.00 0.00 N ATOM 1135 CA VAL A 76 7.863 1.900 6.798 1.00 0.00 C ATOM 1136 C VAL A 76 7.543 0.960 7.962 1.00 0.00 C ATOM 1137 O VAL A 76 8.355 0.108 8.318 1.00 0.00 O ATOM 1138 CB VAL A 76 7.082 1.564 5.526 1.00 0.00 C ATOM 1139 CG1 VAL A 76 7.264 0.094 5.143 1.00 0.00 C ATOM 1140 CG2 VAL A 76 5.600 1.910 5.686 1.00 0.00 C ATOM 0 H VAL A 76 9.656 0.939 6.293 1.00 0.00 H new ATOM 0 HA VAL A 76 7.557 2.903 7.096 1.00 0.00 H new ATOM 0 HB VAL A 76 7.483 2.173 4.716 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.699 -0.118 4.236 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.321 -0.108 4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.903 -0.540 5.952 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.067 1.662 4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.181 1.340 6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.495 2.976 5.889 1.00 0.00 H new ATOM 1150 N ASP A 77 6.357 1.147 8.523 1.00 0.00 N ATOM 1151 CA ASP A 77 5.919 0.326 9.639 1.00 0.00 C ATOM 1152 C ASP A 77 4.448 0.624 9.939 1.00 0.00 C ATOM 1153 O ASP A 77 3.886 1.583 9.414 1.00 0.00 O ATOM 1154 CB ASP A 77 6.730 0.633 10.899 1.00 0.00 C ATOM 1155 CG ASP A 77 7.325 -0.591 11.599 1.00 0.00 C ATOM 1156 OD1 ASP A 77 7.963 -1.397 10.888 1.00 0.00 O ATOM 1157 OD2 ASP A 77 7.128 -0.693 12.830 1.00 0.00 O ATOM 0 H ASP A 77 5.686 1.855 8.225 1.00 0.00 H new ATOM 0 HA ASP A 77 6.060 -0.720 9.365 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.541 1.312 10.635 1.00 0.00 H new ATOM 0 HB3 ASP A 77 6.090 1.161 11.605 1.00 0.00 H new ATOM 1162 N ASP A 78 3.868 -0.217 10.783 1.00 0.00 N ATOM 1163 CA ASP A 78 2.474 -0.056 11.159 1.00 0.00 C ATOM 1164 C ASP A 78 2.267 1.341 11.747 1.00 0.00 C ATOM 1165 O ASP A 78 2.658 1.605 12.883 1.00 0.00 O ATOM 1166 CB ASP A 78 2.068 -1.080 12.220 1.00 0.00 C ATOM 1167 CG ASP A 78 3.015 -1.180 13.418 1.00 0.00 C ATOM 1168 OD1 ASP A 78 4.163 -1.622 13.199 1.00 0.00 O ATOM 1169 OD2 ASP A 78 2.569 -0.812 14.526 1.00 0.00 O ATOM 0 H ASP A 78 4.338 -1.012 11.217 1.00 0.00 H new ATOM 0 HA ASP A 78 1.865 -0.201 10.266 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.072 -0.829 12.584 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.997 -2.060 11.749 1.00 0.00 H new ATOM 1174 N GLY A 79 1.652 2.200 10.947 1.00 0.00 N ATOM 1175 CA GLY A 79 1.388 3.564 11.374 1.00 0.00 C ATOM 1176 C GLY A 79 1.763 4.563 10.279 1.00 0.00 C ATOM 1177 O GLY A 79 1.290 5.699 10.281 1.00 0.00 O ATOM 0 H GLY A 79 1.329 1.978 10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 79 0.333 3.673 11.625 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.955 3.782 12.279 1.00 0.00 H new ATOM 1181 N CYS A 80 2.611 4.105 9.369 1.00 0.00 N ATOM 1182 CA CYS A 80 3.055 4.946 8.270 1.00 0.00 C ATOM 1183 C CYS A 80 1.844 5.269 7.393 1.00 0.00 C ATOM 1184 O CYS A 80 0.710 4.964 7.757 1.00 0.00 O ATOM 1185 CB CYS A 80 4.179 4.283 7.470 1.00 0.00 C ATOM 1186 SG CYS A 80 5.806 4.822 8.112 1.00 0.00 S ATOM 0 H CYS A 80 3.002 3.163 9.370 1.00 0.00 H new ATOM 0 HA CYS A 80 3.475 5.872 8.663 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.093 3.198 7.537 1.00 0.00 H new ATOM 0 HB3 CYS A 80 4.090 4.545 6.416 1.00 0.00 H new ATOM 0 HG CYS A 80 6.385 3.827 8.716 1.00 0.00 H new ATOM 1192 N ARG A 81 2.127 5.883 6.253 1.00 0.00 N ATOM 1193 CA ARG A 81 1.075 6.251 5.321 1.00 0.00 C ATOM 1194 C ARG A 81 1.484 5.895 3.890 1.00 0.00 C ATOM 1195 O ARG A 81 2.634 6.096 3.502 1.00 0.00 O ATOM 1196 CB ARG A 81 0.769 7.748 5.398 1.00 0.00 C ATOM 1197 CG ARG A 81 -0.078 8.198 4.206 1.00 0.00 C ATOM 1198 CD ARG A 81 -0.881 9.454 4.547 1.00 0.00 C ATOM 1199 NE ARG A 81 -0.789 10.430 3.438 1.00 0.00 N ATOM 1200 CZ ARG A 81 -0.978 11.749 3.580 1.00 0.00 C ATOM 1201 NH1 ARG A 81 -1.270 12.258 4.785 1.00 0.00 N ATOM 1202 NH2 ARG A 81 -0.874 12.559 2.518 1.00 0.00 N ATOM 0 H ARG A 81 3.069 6.135 5.954 1.00 0.00 H new ATOM 0 HA ARG A 81 0.180 5.694 5.596 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.242 7.967 6.326 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.701 8.312 5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.568 8.396 3.351 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.756 7.396 3.914 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -1.924 9.192 4.726 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -0.502 9.899 5.467 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.568 10.076 2.507 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -1.348 11.641 5.594 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.414 13.262 4.893 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -0.651 12.172 1.601 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -1.018 13.563 2.626 1.00 0.00 H new ATOM 1216 N ILE A 82 0.521 5.372 3.146 1.00 0.00 N ATOM 1217 CA ILE A 82 0.768 4.986 1.767 1.00 0.00 C ATOM 1218 C ILE A 82 -0.154 5.787 0.845 1.00 0.00 C ATOM 1219 O ILE A 82 -1.327 5.452 0.690 1.00 0.00 O ATOM 1220 CB ILE A 82 0.635 3.471 1.603 1.00 0.00 C ATOM 1221 CG1 ILE A 82 1.570 2.731 2.562 1.00 0.00 C ATOM 1222 CG2 ILE A 82 0.861 3.055 0.148 1.00 0.00 C ATOM 1223 CD1 ILE A 82 3.030 2.885 2.133 1.00 0.00 C ATOM 0 H ILE A 82 -0.431 5.206 3.472 1.00 0.00 H new ATOM 0 HA ILE A 82 1.792 5.226 1.482 1.00 0.00 H new ATOM 0 HB ILE A 82 -0.385 3.188 1.865 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.441 3.119 3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.305 1.674 2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.761 1.973 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.122 3.541 -0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.862 3.354 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.673 2.350 2.832 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.160 2.474 1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.299 3.941 2.129 1.00 0.00 H new ATOM 1235 N HIS A 83 0.412 6.831 0.257 1.00 0.00 N ATOM 1236 CA HIS A 83 -0.344 7.683 -0.646 1.00 0.00 C ATOM 1237 C HIS A 83 -0.300 7.100 -2.059 1.00 0.00 C ATOM 1238 O HIS A 83 0.775 6.943 -2.637 1.00 0.00 O ATOM 1239 CB HIS A 83 0.162 9.125 -0.583 1.00 0.00 C ATOM 1240 CG HIS A 83 -0.772 10.131 -1.212 1.00 0.00 C ATOM 1241 ND1 HIS A 83 -2.007 10.447 -0.672 1.00 0.00 N ATOM 1242 CD2 HIS A 83 -0.639 10.889 -2.338 1.00 0.00 C ATOM 1243 CE1 HIS A 83 -2.583 11.354 -1.448 1.00 0.00 C ATOM 1244 NE2 HIS A 83 -1.733 11.626 -2.480 1.00 0.00 N ATOM 0 H HIS A 83 1.385 7.106 0.388 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.388 7.712 -0.335 1.00 0.00 H new ATOM 0 HB2 HIS A 83 0.324 9.397 0.460 1.00 0.00 H new ATOM 0 HB3 HIS A 83 1.130 9.182 -1.081 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.213 10.889 -3.002 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -3.554 11.799 -1.291 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.910 12.287 -3.236 1.00 0.00 H new ATOM 1252 N VAL A 84 -1.481 6.794 -2.576 1.00 0.00 N ATOM 1253 CA VAL A 84 -1.591 6.232 -3.912 1.00 0.00 C ATOM 1254 C VAL A 84 -1.868 7.356 -4.912 1.00 0.00 C ATOM 1255 O VAL A 84 -2.966 7.910 -4.940 1.00 0.00 O ATOM 1256 CB VAL A 84 -2.658 5.136 -3.932 1.00 0.00 C ATOM 1257 CG1 VAL A 84 -2.820 4.555 -5.338 1.00 0.00 C ATOM 1258 CG2 VAL A 84 -2.335 4.037 -2.918 1.00 0.00 C ATOM 0 H VAL A 84 -2.370 6.925 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.654 5.759 -4.206 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.608 5.587 -3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -3.584 3.778 -5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.118 5.346 -6.026 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.873 4.127 -5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.109 3.271 -2.953 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.371 3.590 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.294 4.466 -1.917 1.00 0.00 H new ATOM 1268 N ILE A 85 -0.854 7.659 -5.709 1.00 0.00 N ATOM 1269 CA ILE A 85 -0.975 8.707 -6.709 1.00 0.00 C ATOM 1270 C ILE A 85 -1.722 8.160 -7.927 1.00 0.00 C ATOM 1271 O ILE A 85 -1.148 7.435 -8.738 1.00 0.00 O ATOM 1272 CB ILE A 85 0.400 9.291 -7.042 1.00 0.00 C ATOM 1273 CG1 ILE A 85 1.095 9.811 -5.782 1.00 0.00 C ATOM 1274 CG2 ILE A 85 0.290 10.368 -8.122 1.00 0.00 C ATOM 1275 CD1 ILE A 85 2.596 9.990 -6.018 1.00 0.00 C ATOM 0 H ILE A 85 0.055 7.197 -5.683 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.563 9.538 -6.321 1.00 0.00 H new ATOM 0 HB ILE A 85 1.022 8.492 -7.446 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.654 10.763 -5.486 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.933 9.115 -4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.281 10.767 -8.340 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -0.134 9.933 -9.027 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -0.355 11.172 -7.769 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.066 10.360 -5.107 1.00 0.00 H new ATOM 0 HD12 ILE A 85 3.038 9.032 -6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.755 10.705 -6.825 1.00 0.00 H new ATOM 1287 N ASP A 86 -2.992 8.528 -8.016 1.00 0.00 N ATOM 1288 CA ASP A 86 -3.824 8.083 -9.121 1.00 0.00 C ATOM 1289 C ASP A 86 -3.147 8.451 -10.443 1.00 0.00 C ATOM 1290 O ASP A 86 -3.159 9.611 -10.849 1.00 0.00 O ATOM 1291 CB ASP A 86 -5.194 8.762 -9.087 1.00 0.00 C ATOM 1292 CG ASP A 86 -6.214 8.211 -10.085 1.00 0.00 C ATOM 1293 OD1 ASP A 86 -6.371 6.971 -10.111 1.00 0.00 O ATOM 1294 OD2 ASP A 86 -6.815 9.042 -10.800 1.00 0.00 O ATOM 0 H ASP A 86 -3.465 9.129 -7.341 1.00 0.00 H new ATOM 0 HA ASP A 86 -3.954 7.004 -9.033 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.605 8.668 -8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.060 9.827 -9.278 1.00 0.00 H new ATOM 1299 N HIS A 87 -2.573 7.439 -11.078 1.00 0.00 N ATOM 1300 CA HIS A 87 -1.893 7.641 -12.346 1.00 0.00 C ATOM 1301 C HIS A 87 -2.790 7.167 -13.491 1.00 0.00 C ATOM 1302 O HIS A 87 -2.297 6.752 -14.539 1.00 0.00 O ATOM 1303 CB HIS A 87 -0.524 6.957 -12.343 1.00 0.00 C ATOM 1304 CG HIS A 87 0.636 7.906 -12.157 1.00 0.00 C ATOM 1305 ND1 HIS A 87 0.721 9.124 -12.810 1.00 0.00 N ATOM 1306 CD2 HIS A 87 1.756 7.804 -11.386 1.00 0.00 C ATOM 1307 CE1 HIS A 87 1.846 9.718 -12.441 1.00 0.00 C ATOM 1308 NE2 HIS A 87 2.487 8.899 -11.559 1.00 0.00 N ATOM 0 H HIS A 87 -2.565 6.477 -10.738 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.703 8.704 -12.496 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.503 6.213 -11.547 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -0.395 6.421 -13.283 1.00 0.00 H new ATOM 0 HD2 HIS A 87 2.006 6.973 -10.743 1.00 0.00 H new ATOM 0 HE1 HIS A 87 2.195 10.682 -12.780 1.00 0.00 H new ATOM 0 HE2 HIS A 87 3.380 9.095 -11.107 1.00 0.00 H new