USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 822 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 11 LYS NZ :NH3+ -175:sc= 1.65 (180deg=0.944) USER MOD Set 1.2: A 67 THR OG1 : rot 107:sc= 0.611 USER MOD Set 1.3: A 68 ASN :FLIP amide:sc= 0.00196 F(o=1.4,f=2.3) USER MOD Set 2.1: A 37 CYS SG : rot 120:sc= 0.328 USER MOD Set 2.2: A 40 CYS SG : rot 80:sc= 0.362 USER MOD Set 3.1: A 35 THR OG1 : rot 180:sc= 0.775 USER MOD Set 3.2: A 41 LYS NZ :NH3+ 160:sc= 0.904 (180deg=0) USER MOD Set 4.1: A 26 LYS NZ :NH3+ -176:sc= 2.11 (180deg=1.08) USER MOD Set 4.2: A 59 THR OG1 : rot 180:sc= 0.808 USER MOD Set 5.1: A 13 THR OG1 : rot 180:sc= 0.35 USER MOD Set 5.2: A 16 SER OG : rot 95:sc= 0.369 USER MOD Single : A 9 THR OG1 : rot -22:sc= 0.156 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 69:sc= 0.839 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 72:sc= 1.11 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0281 USER MOD Single : A 62 LYS NZ :NH3+ 179:sc= 1.25 (180deg=1.18) USER MOD Single : A 71 THR OG1 : rot -39:sc= 0.756 USER MOD Single : A 74 ASN : amide:sc= 0.127 X(o=0.13,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 94:sc= 1.23 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.793 K(o=0.79,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -172:sc= 3.52 (180deg=3.21) USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= 0.871 (180deg=0.685) USER MOD Single : A 101 LYS NZ :NH3+ 174:sc= 2.44 (180deg=2.36) USER MOD Single : A 109 SER OG : rot 93:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 9 3.005 -0.055 10.234 1.00 0.00 N ATOM 115 CA THR A 9 2.047 -0.821 9.415 1.00 0.00 C ATOM 116 C THR A 9 0.627 -0.815 9.993 1.00 0.00 C ATOM 117 O THR A 9 0.443 -0.939 11.207 1.00 0.00 O ATOM 118 CB THR A 9 2.498 -2.279 9.212 1.00 0.00 C ATOM 119 OG1 THR A 9 2.893 -2.877 10.433 1.00 0.00 O ATOM 120 CG2 THR A 9 3.693 -2.385 8.267 1.00 0.00 C ATOM 0 HA THR A 9 2.027 -0.311 8.452 1.00 0.00 H new ATOM 0 HB THR A 9 1.633 -2.791 8.790 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.134 -2.178 11.077 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.976 -3.432 8.154 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.425 -1.975 7.294 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.533 -1.825 8.678 1.00 0.00 H new ATOM 128 N ILE A 10 -0.382 -0.749 9.117 1.00 0.00 N ATOM 129 CA ILE A 10 -1.820 -0.868 9.437 1.00 0.00 C ATOM 130 C ILE A 10 -2.566 -1.701 8.385 1.00 0.00 C ATOM 131 O ILE A 10 -2.162 -1.748 7.223 1.00 0.00 O ATOM 132 CB ILE A 10 -2.493 0.525 9.596 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.403 1.382 8.309 1.00 0.00 C ATOM 134 CG2 ILE A 10 -1.921 1.274 10.812 1.00 0.00 C ATOM 135 CD1 ILE A 10 -3.187 2.699 8.360 1.00 0.00 C ATOM 0 H ILE A 10 -0.218 -0.605 8.121 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.885 -1.387 10.393 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.554 0.347 9.772 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.355 1.606 8.111 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.767 0.791 7.469 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.407 2.245 10.903 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.102 0.692 11.716 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.848 1.416 10.680 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.066 3.231 7.417 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.244 2.487 8.524 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.810 3.316 9.176 1.00 0.00 H new ATOM 147 N LYS A 11 -3.694 -2.310 8.767 1.00 0.00 N ATOM 148 CA LYS A 11 -4.714 -2.797 7.822 1.00 0.00 C ATOM 149 C LYS A 11 -5.822 -1.752 7.658 1.00 0.00 C ATOM 150 O LYS A 11 -6.246 -1.139 8.639 1.00 0.00 O ATOM 151 CB LYS A 11 -5.244 -4.172 8.268 1.00 0.00 C ATOM 152 CG LYS A 11 -6.341 -4.701 7.327 1.00 0.00 C ATOM 153 CD LYS A 11 -6.691 -6.163 7.622 1.00 0.00 C ATOM 154 CE LYS A 11 -7.860 -6.596 6.723 1.00 0.00 C ATOM 155 NZ LYS A 11 -8.075 -8.066 6.749 1.00 0.00 N ATOM 0 H LYS A 11 -3.929 -2.481 9.745 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.266 -2.940 6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.420 -4.885 8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.641 -4.096 9.281 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -7.235 -4.086 7.430 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.008 -4.609 6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -5.824 -6.800 7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.961 -6.280 8.671 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.771 -6.092 7.046 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.666 -6.277 5.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.816 -8.321 6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.190 -8.551 6.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.370 -8.357 7.703 1.00 0.00 H new ATOM 169 N VAL A 12 -6.304 -1.583 6.429 1.00 0.00 N ATOM 170 CA VAL A 12 -7.482 -0.773 6.079 1.00 0.00 C ATOM 171 C VAL A 12 -8.577 -1.654 5.469 1.00 0.00 C ATOM 172 O VAL A 12 -8.291 -2.693 4.870 1.00 0.00 O ATOM 173 CB VAL A 12 -7.117 0.426 5.178 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.187 1.392 5.923 1.00 0.00 C ATOM 175 CG2 VAL A 12 -6.437 0.041 3.858 1.00 0.00 C ATOM 0 H VAL A 12 -5.873 -2.020 5.615 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.880 -0.342 6.998 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.071 0.893 4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.939 2.232 5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.687 1.761 6.818 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.273 0.871 6.207 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -6.215 0.942 3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.510 -0.493 4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.102 -0.601 3.280 1.00 0.00 H new ATOM 185 N THR A 13 -9.838 -1.260 5.651 1.00 0.00 N ATOM 186 CA THR A 13 -11.034 -2.000 5.204 1.00 0.00 C ATOM 187 C THR A 13 -11.963 -1.110 4.379 1.00 0.00 C ATOM 188 O THR A 13 -11.853 0.116 4.420 1.00 0.00 O ATOM 189 CB THR A 13 -11.807 -2.594 6.395 1.00 0.00 C ATOM 190 OG1 THR A 13 -12.316 -1.567 7.222 1.00 0.00 O ATOM 191 CG2 THR A 13 -10.947 -3.515 7.261 1.00 0.00 C ATOM 0 H THR A 13 -10.070 -0.389 6.129 1.00 0.00 H new ATOM 0 HA THR A 13 -10.683 -2.818 4.575 1.00 0.00 H new ATOM 0 HB THR A 13 -12.617 -3.180 5.961 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.805 -1.964 7.973 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.546 -3.904 8.085 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.580 -4.344 6.657 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.102 -2.954 7.660 1.00 0.00 H new ATOM 199 N ASP A 14 -12.924 -1.697 3.661 1.00 0.00 N ATOM 200 CA ASP A 14 -13.854 -0.944 2.802 1.00 0.00 C ATOM 201 C ASP A 14 -14.706 0.089 3.572 1.00 0.00 C ATOM 202 O ASP A 14 -15.082 1.128 3.025 1.00 0.00 O ATOM 203 CB ASP A 14 -14.751 -1.930 2.039 1.00 0.00 C ATOM 204 CG ASP A 14 -15.476 -1.227 0.880 1.00 0.00 C ATOM 205 OD1 ASP A 14 -14.788 -0.815 -0.084 1.00 0.00 O ATOM 206 OD2 ASP A 14 -16.724 -1.107 0.928 1.00 0.00 O ATOM 0 H ASP A 14 -13.083 -2.705 3.656 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.251 -0.365 2.103 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.148 -2.751 1.652 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.482 -2.365 2.720 1.00 0.00 H new ATOM 211 N ALA A 15 -14.963 -0.165 4.860 1.00 0.00 N ATOM 212 CA ALA A 15 -15.673 0.739 5.768 1.00 0.00 C ATOM 213 C ALA A 15 -14.787 1.855 6.373 1.00 0.00 C ATOM 214 O ALA A 15 -15.322 2.807 6.949 1.00 0.00 O ATOM 215 CB ALA A 15 -16.321 -0.119 6.862 1.00 0.00 C ATOM 0 H ALA A 15 -14.673 -1.032 5.312 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.426 1.279 5.194 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.860 0.524 7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -17.017 -0.824 6.407 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.548 -0.668 7.400 1.00 0.00 H new ATOM 221 N SER A 16 -13.454 1.752 6.260 1.00 0.00 N ATOM 222 CA SER A 16 -12.482 2.597 6.985 1.00 0.00 C ATOM 223 C SER A 16 -11.448 3.298 6.091 1.00 0.00 C ATOM 224 O SER A 16 -10.785 4.229 6.547 1.00 0.00 O ATOM 225 CB SER A 16 -11.737 1.770 8.044 1.00 0.00 C ATOM 226 OG SER A 16 -12.617 0.969 8.818 1.00 0.00 O ATOM 0 H SER A 16 -13.009 1.066 5.651 1.00 0.00 H new ATOM 0 HA SER A 16 -13.083 3.382 7.445 1.00 0.00 H new ATOM 0 HB2 SER A 16 -11.004 1.130 7.553 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.185 2.440 8.703 1.00 0.00 H new ATOM 0 HG SER A 16 -12.669 0.071 8.430 1.00 0.00 H new ATOM 232 N PHE A 17 -11.313 2.900 4.819 1.00 0.00 N ATOM 233 CA PHE A 17 -10.289 3.384 3.884 1.00 0.00 C ATOM 234 C PHE A 17 -10.285 4.913 3.763 1.00 0.00 C ATOM 235 O PHE A 17 -9.225 5.535 3.795 1.00 0.00 O ATOM 236 CB PHE A 17 -10.531 2.725 2.514 1.00 0.00 C ATOM 237 CG PHE A 17 -9.438 2.940 1.480 1.00 0.00 C ATOM 238 CD1 PHE A 17 -9.356 4.148 0.757 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.528 1.902 1.200 1.00 0.00 C ATOM 240 CE1 PHE A 17 -8.363 4.320 -0.225 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.557 2.064 0.197 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.468 3.275 -0.511 1.00 0.00 C ATOM 0 H PHE A 17 -11.935 2.209 4.399 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.307 3.108 4.267 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.659 1.653 2.664 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.469 3.104 2.109 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.058 4.944 0.958 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.577 0.979 1.758 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.289 5.256 -0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.877 1.256 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.713 3.402 -1.273 1.00 0.00 H new ATOM 252 N ALA A 18 -11.459 5.546 3.694 1.00 0.00 N ATOM 253 CA ALA A 18 -11.543 7.000 3.597 1.00 0.00 C ATOM 254 C ALA A 18 -11.086 7.719 4.882 1.00 0.00 C ATOM 255 O ALA A 18 -10.469 8.780 4.805 1.00 0.00 O ATOM 256 CB ALA A 18 -12.964 7.388 3.182 1.00 0.00 C ATOM 0 H ALA A 18 -12.362 5.072 3.704 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.844 7.336 2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.038 8.473 3.107 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.196 6.941 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.672 7.027 3.928 1.00 0.00 H new ATOM 262 N THR A 19 -11.330 7.137 6.058 1.00 0.00 N ATOM 263 CA THR A 19 -10.920 7.689 7.365 1.00 0.00 C ATOM 264 C THR A 19 -9.441 7.432 7.685 1.00 0.00 C ATOM 265 O THR A 19 -8.817 8.223 8.391 1.00 0.00 O ATOM 266 CB THR A 19 -11.807 7.113 8.487 1.00 0.00 C ATOM 267 OG1 THR A 19 -13.172 7.148 8.110 1.00 0.00 O ATOM 268 CG2 THR A 19 -11.699 7.892 9.800 1.00 0.00 C ATOM 0 H THR A 19 -11.828 6.250 6.137 1.00 0.00 H new ATOM 0 HA THR A 19 -11.051 8.769 7.305 1.00 0.00 H new ATOM 0 HB THR A 19 -11.450 6.094 8.640 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.721 6.777 8.833 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.347 7.436 10.548 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.668 7.871 10.152 1.00 0.00 H new ATOM 0 HG23 THR A 19 -12.005 8.925 9.636 1.00 0.00 H new ATOM 276 N ASP A 20 -8.851 6.355 7.159 1.00 0.00 N ATOM 277 CA ASP A 20 -7.442 6.004 7.401 1.00 0.00 C ATOM 278 C ASP A 20 -6.486 6.561 6.333 1.00 0.00 C ATOM 279 O ASP A 20 -5.396 7.034 6.664 1.00 0.00 O ATOM 280 CB ASP A 20 -7.295 4.478 7.501 1.00 0.00 C ATOM 281 CG ASP A 20 -7.939 3.878 8.765 1.00 0.00 C ATOM 282 OD1 ASP A 20 -7.787 4.457 9.868 1.00 0.00 O ATOM 283 OD2 ASP A 20 -8.556 2.791 8.666 1.00 0.00 O ATOM 0 H ASP A 20 -9.337 5.697 6.550 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.157 6.470 8.344 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.746 4.019 6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.236 4.222 7.486 1.00 0.00 H new ATOM 288 N VAL A 21 -6.883 6.510 5.058 1.00 0.00 N ATOM 289 CA VAL A 21 -6.049 6.879 3.903 1.00 0.00 C ATOM 290 C VAL A 21 -6.373 8.293 3.416 1.00 0.00 C ATOM 291 O VAL A 21 -5.500 9.161 3.389 1.00 0.00 O ATOM 292 CB VAL A 21 -6.202 5.849 2.760 1.00 0.00 C ATOM 293 CG1 VAL A 21 -5.166 6.080 1.660 1.00 0.00 C ATOM 294 CG2 VAL A 21 -6.048 4.398 3.242 1.00 0.00 C ATOM 0 H VAL A 21 -7.818 6.203 4.790 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.008 6.870 4.226 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.212 5.995 2.376 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.301 5.339 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.293 7.080 1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.164 5.986 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.165 3.720 2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.059 4.263 3.681 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.810 4.180 3.990 1.00 0.00 H new ATOM 304 N LEU A 22 -7.637 8.554 3.062 1.00 0.00 N ATOM 305 CA LEU A 22 -8.047 9.805 2.402 1.00 0.00 C ATOM 306 C LEU A 22 -8.212 10.990 3.371 1.00 0.00 C ATOM 307 O LEU A 22 -8.168 12.145 2.945 1.00 0.00 O ATOM 308 CB LEU A 22 -9.309 9.580 1.549 1.00 0.00 C ATOM 309 CG LEU A 22 -9.225 8.395 0.569 1.00 0.00 C ATOM 310 CD1 LEU A 22 -10.545 8.249 -0.187 1.00 0.00 C ATOM 311 CD2 LEU A 22 -8.102 8.526 -0.459 1.00 0.00 C ATOM 0 H LEU A 22 -8.407 7.905 3.224 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.229 10.090 1.741 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.157 9.422 2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.514 10.488 0.982 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.013 7.519 1.182 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.477 7.409 -0.878 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.353 8.071 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.747 9.163 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.105 7.655 -1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.255 9.427 -1.053 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.143 8.589 0.056 1.00 0.00 H new ATOM 323 N SER A 23 -8.355 10.721 4.672 1.00 0.00 N ATOM 324 CA SER A 23 -8.406 11.747 5.727 1.00 0.00 C ATOM 325 C SER A 23 -7.012 12.172 6.222 1.00 0.00 C ATOM 326 O SER A 23 -6.897 13.147 6.968 1.00 0.00 O ATOM 327 CB SER A 23 -9.281 11.290 6.893 1.00 0.00 C ATOM 328 OG SER A 23 -10.618 11.107 6.455 1.00 0.00 O ATOM 0 H SER A 23 -8.440 9.770 5.031 1.00 0.00 H new ATOM 0 HA SER A 23 -8.857 12.630 5.275 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.894 10.358 7.305 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.250 12.030 7.693 1.00 0.00 H new ATOM 0 HG SER A 23 -10.664 10.330 5.860 1.00 0.00 H new ATOM 334 N SER A 24 -5.948 11.454 5.834 1.00 0.00 N ATOM 335 CA SER A 24 -4.574 11.728 6.273 1.00 0.00 C ATOM 336 C SER A 24 -3.927 12.881 5.496 1.00 0.00 C ATOM 337 O SER A 24 -3.913 12.888 4.263 1.00 0.00 O ATOM 338 CB SER A 24 -3.707 10.472 6.172 1.00 0.00 C ATOM 339 OG SER A 24 -2.483 10.713 6.846 1.00 0.00 O ATOM 0 H SER A 24 -6.019 10.658 5.200 1.00 0.00 H new ATOM 0 HA SER A 24 -4.637 12.035 7.317 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.222 9.620 6.616 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.521 10.223 5.127 1.00 0.00 H new ATOM 0 HG SER A 24 -1.917 9.915 6.791 1.00 0.00 H new ATOM 345 N ASN A 25 -3.339 13.839 6.221 1.00 0.00 N ATOM 346 CA ASN A 25 -2.507 14.906 5.650 1.00 0.00 C ATOM 347 C ASN A 25 -1.070 14.430 5.333 1.00 0.00 C ATOM 348 O ASN A 25 -0.391 15.013 4.485 1.00 0.00 O ATOM 349 CB ASN A 25 -2.544 16.103 6.617 1.00 0.00 C ATOM 350 CG ASN A 25 -1.720 17.289 6.135 1.00 0.00 C ATOM 351 OD1 ASN A 25 -0.719 17.661 6.733 1.00 0.00 O ATOM 352 ND2 ASN A 25 -2.109 17.930 5.056 1.00 0.00 N ATOM 0 H ASN A 25 -3.428 13.896 7.235 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.910 15.211 4.684 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.578 16.419 6.754 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.176 15.785 7.592 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.577 18.733 4.721 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.942 17.624 4.554 1.00 0.00 H new ATOM 359 N LYS A 26 -0.622 13.343 5.974 1.00 0.00 N ATOM 360 CA LYS A 26 0.690 12.706 5.777 1.00 0.00 C ATOM 361 C LYS A 26 0.677 11.821 4.514 1.00 0.00 C ATOM 362 O LYS A 26 -0.369 11.239 4.207 1.00 0.00 O ATOM 363 CB LYS A 26 0.999 11.889 7.046 1.00 0.00 C ATOM 364 CG LYS A 26 2.396 11.253 7.079 1.00 0.00 C ATOM 365 CD LYS A 26 2.524 10.329 8.295 1.00 0.00 C ATOM 366 CE LYS A 26 3.883 9.624 8.289 1.00 0.00 C ATOM 367 NZ LYS A 26 3.900 8.500 9.256 1.00 0.00 N ATOM 0 H LYS A 26 -1.186 12.862 6.674 1.00 0.00 H new ATOM 0 HA LYS A 26 1.468 13.453 5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.891 12.539 7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.254 11.100 7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 26 2.569 10.688 6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.158 12.031 7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.411 10.907 9.212 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.723 9.589 8.284 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.099 9.251 7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.668 10.337 8.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.851 8.080 9.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.649 8.852 10.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.212 7.778 8.961 1.00 0.00 H new ATOM 381 N PRO A 27 1.801 11.665 3.785 1.00 0.00 N ATOM 382 CA PRO A 27 1.895 10.684 2.705 1.00 0.00 C ATOM 383 C PRO A 27 1.626 9.255 3.210 1.00 0.00 C ATOM 384 O PRO A 27 2.167 8.828 4.235 1.00 0.00 O ATOM 385 CB PRO A 27 3.300 10.842 2.115 1.00 0.00 C ATOM 386 CG PRO A 27 3.701 12.262 2.507 1.00 0.00 C ATOM 387 CD PRO A 27 3.026 12.447 3.862 1.00 0.00 C ATOM 0 HA PRO A 27 1.136 10.857 1.942 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.991 10.104 2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.297 10.711 1.033 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.783 12.371 2.577 1.00 0.00 H new ATOM 0 HG3 PRO A 27 3.353 12.995 1.779 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.666 12.098 4.672 1.00 0.00 H new ATOM 0 HD3 PRO A 27 2.811 13.498 4.055 1.00 0.00 H new ATOM 395 N VAL A 28 0.778 8.511 2.498 1.00 0.00 N ATOM 396 CA VAL A 28 0.297 7.182 2.903 1.00 0.00 C ATOM 397 C VAL A 28 0.305 6.221 1.715 1.00 0.00 C ATOM 398 O VAL A 28 -0.181 6.539 0.628 1.00 0.00 O ATOM 399 CB VAL A 28 -1.064 7.279 3.629 1.00 0.00 C ATOM 400 CG1 VAL A 28 -2.161 7.950 2.797 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.565 5.905 4.093 1.00 0.00 C ATOM 0 H VAL A 28 0.396 8.819 1.604 1.00 0.00 H new ATOM 0 HA VAL A 28 0.985 6.758 3.635 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.867 7.912 4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.086 7.982 3.373 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.856 8.965 2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.323 7.381 1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.524 6.019 4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.685 5.251 3.229 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.842 5.468 4.781 1.00 0.00 H new ATOM 411 N LEU A 29 0.895 5.045 1.923 1.00 0.00 N ATOM 412 CA LEU A 29 1.161 4.029 0.907 1.00 0.00 C ATOM 413 C LEU A 29 0.300 2.797 1.208 1.00 0.00 C ATOM 414 O LEU A 29 0.517 2.145 2.226 1.00 0.00 O ATOM 415 CB LEU A 29 2.673 3.725 0.962 1.00 0.00 C ATOM 416 CG LEU A 29 3.276 2.987 -0.246 1.00 0.00 C ATOM 417 CD1 LEU A 29 4.694 2.552 0.122 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.528 1.723 -0.678 1.00 0.00 C ATOM 0 H LEU A 29 1.216 4.762 2.849 1.00 0.00 H new ATOM 0 HA LEU A 29 0.905 4.360 -0.099 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.205 4.668 1.084 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.868 3.131 1.855 1.00 0.00 H new ATOM 0 HG LEU A 29 3.223 3.691 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.143 2.026 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.293 3.430 0.362 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.658 1.889 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.032 1.277 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.514 1.009 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.505 1.981 -0.952 1.00 0.00 H new ATOM 430 N VAL A 30 -0.660 2.464 0.345 1.00 0.00 N ATOM 431 CA VAL A 30 -1.548 1.303 0.512 1.00 0.00 C ATOM 432 C VAL A 30 -1.182 0.196 -0.475 1.00 0.00 C ATOM 433 O VAL A 30 -1.175 0.417 -1.685 1.00 0.00 O ATOM 434 CB VAL A 30 -3.039 1.668 0.367 1.00 0.00 C ATOM 435 CG1 VAL A 30 -3.894 0.542 0.967 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.434 2.986 1.042 1.00 0.00 C ATOM 0 H VAL A 30 -0.849 2.998 -0.503 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.400 0.944 1.530 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.215 1.795 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -4.950 0.794 0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.692 -0.389 0.438 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.648 0.421 2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.498 3.167 0.892 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.223 2.925 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.862 3.804 0.605 1.00 0.00 H new ATOM 446 N ASP A 31 -0.915 -1.008 0.025 1.00 0.00 N ATOM 447 CA ASP A 31 -0.679 -2.206 -0.783 1.00 0.00 C ATOM 448 C ASP A 31 -1.898 -3.143 -0.768 1.00 0.00 C ATOM 449 O ASP A 31 -2.292 -3.674 0.274 1.00 0.00 O ATOM 450 CB ASP A 31 0.615 -2.885 -0.322 1.00 0.00 C ATOM 451 CG ASP A 31 0.857 -4.228 -1.027 1.00 0.00 C ATOM 452 OD1 ASP A 31 0.656 -4.311 -2.259 1.00 0.00 O ATOM 453 OD2 ASP A 31 1.255 -5.190 -0.328 1.00 0.00 O ATOM 0 H ASP A 31 -0.855 -1.184 1.028 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.546 -1.922 -1.827 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.458 -2.221 -0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.573 -3.046 0.755 1.00 0.00 H new ATOM 458 N PHE A 32 -2.497 -3.332 -1.942 1.00 0.00 N ATOM 459 CA PHE A 32 -3.602 -4.247 -2.205 1.00 0.00 C ATOM 460 C PHE A 32 -3.022 -5.638 -2.481 1.00 0.00 C ATOM 461 O PHE A 32 -2.349 -5.849 -3.495 1.00 0.00 O ATOM 462 CB PHE A 32 -4.453 -3.729 -3.374 1.00 0.00 C ATOM 463 CG PHE A 32 -5.235 -2.457 -3.085 1.00 0.00 C ATOM 464 CD1 PHE A 32 -4.571 -1.222 -2.940 1.00 0.00 C ATOM 465 CD2 PHE A 32 -6.640 -2.496 -2.997 1.00 0.00 C ATOM 466 CE1 PHE A 32 -5.305 -0.048 -2.705 1.00 0.00 C ATOM 467 CE2 PHE A 32 -7.373 -1.311 -2.802 1.00 0.00 C ATOM 468 CZ PHE A 32 -6.704 -0.083 -2.662 1.00 0.00 C ATOM 0 H PHE A 32 -2.208 -2.824 -2.778 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.263 -4.311 -1.341 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.800 -3.550 -4.228 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.154 -4.510 -3.667 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -3.494 -1.179 -3.010 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.157 -3.440 -3.080 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -4.787 0.888 -2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.452 -1.345 -2.760 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.266 0.829 -2.522 1.00 0.00 H new ATOM 478 N TRP A 33 -3.245 -6.567 -1.549 1.00 0.00 N ATOM 479 CA TRP A 33 -2.529 -7.844 -1.459 1.00 0.00 C ATOM 480 C TRP A 33 -3.432 -9.000 -0.998 1.00 0.00 C ATOM 481 O TRP A 33 -4.551 -8.782 -0.526 1.00 0.00 O ATOM 482 CB TRP A 33 -1.350 -7.679 -0.479 1.00 0.00 C ATOM 483 CG TRP A 33 -1.701 -7.903 0.963 1.00 0.00 C ATOM 484 CD1 TRP A 33 -2.563 -7.150 1.678 1.00 0.00 C ATOM 485 CD2 TRP A 33 -1.309 -9.004 1.845 1.00 0.00 C ATOM 486 NE1 TRP A 33 -2.764 -7.723 2.916 1.00 0.00 N ATOM 487 CE2 TRP A 33 -2.019 -8.867 3.076 1.00 0.00 C ATOM 488 CE3 TRP A 33 -0.448 -10.119 1.729 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -1.893 -9.787 4.128 1.00 0.00 C ATOM 490 CZ3 TRP A 33 -0.300 -11.040 2.785 1.00 0.00 C ATOM 491 CH2 TRP A 33 -1.024 -10.881 3.980 1.00 0.00 C ATOM 0 H TRP A 33 -3.946 -6.450 -0.817 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.174 -8.102 -2.457 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.561 -8.376 -0.760 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.942 -6.674 -0.588 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.025 -6.237 1.333 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.390 -7.344 3.627 1.00 0.00 H new ATOM 0 HE3 TRP A 33 0.107 -10.268 0.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.457 -9.656 5.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 0.376 -11.876 2.676 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -0.912 -11.597 4.781 1.00 0.00 H new ATOM 502 N ALA A 34 -2.915 -10.229 -1.059 1.00 0.00 N ATOM 503 CA ALA A 34 -3.469 -11.380 -0.349 1.00 0.00 C ATOM 504 C ALA A 34 -2.380 -12.395 0.030 1.00 0.00 C ATOM 505 O ALA A 34 -1.357 -12.521 -0.649 1.00 0.00 O ATOM 506 CB ALA A 34 -4.546 -12.049 -1.207 1.00 0.00 C ATOM 0 H ALA A 34 -2.088 -10.454 -1.612 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.915 -11.020 0.578 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.956 -12.906 -0.673 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.343 -11.335 -1.412 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.107 -12.383 -2.147 1.00 0.00 H new ATOM 512 N THR A 35 -2.641 -13.179 1.081 1.00 0.00 N ATOM 513 CA THR A 35 -1.732 -14.234 1.568 1.00 0.00 C ATOM 514 C THR A 35 -1.536 -15.380 0.557 1.00 0.00 C ATOM 515 O THR A 35 -0.519 -16.073 0.587 1.00 0.00 O ATOM 516 CB THR A 35 -2.212 -14.741 2.941 1.00 0.00 C ATOM 517 OG1 THR A 35 -1.184 -15.447 3.601 1.00 0.00 O ATOM 518 CG2 THR A 35 -3.445 -15.646 2.874 1.00 0.00 C ATOM 0 H THR A 35 -3.499 -13.102 1.627 1.00 0.00 H new ATOM 0 HA THR A 35 -0.743 -13.792 1.685 1.00 0.00 H new ATOM 0 HB THR A 35 -2.489 -13.842 3.492 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.508 -15.759 4.471 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.720 -15.961 3.881 1.00 0.00 H new ATOM 0 HG22 THR A 35 -4.274 -15.099 2.426 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.220 -16.524 2.268 1.00 0.00 H new ATOM 526 N TRP A 36 -2.467 -15.542 -0.394 1.00 0.00 N ATOM 527 CA TRP A 36 -2.410 -16.546 -1.466 1.00 0.00 C ATOM 528 C TRP A 36 -1.508 -16.176 -2.663 1.00 0.00 C ATOM 529 O TRP A 36 -1.369 -16.979 -3.588 1.00 0.00 O ATOM 530 CB TRP A 36 -3.842 -16.931 -1.885 1.00 0.00 C ATOM 531 CG TRP A 36 -4.843 -15.846 -2.196 1.00 0.00 C ATOM 532 CD1 TRP A 36 -5.920 -15.558 -1.427 1.00 0.00 C ATOM 533 CD2 TRP A 36 -4.956 -14.958 -3.361 1.00 0.00 C ATOM 534 NE1 TRP A 36 -6.718 -14.624 -2.048 1.00 0.00 N ATOM 535 CE2 TRP A 36 -6.168 -14.203 -3.237 1.00 0.00 C ATOM 536 CE3 TRP A 36 -4.170 -14.700 -4.509 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -6.581 -13.266 -4.194 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -4.558 -13.732 -5.459 1.00 0.00 C ATOM 539 CH2 TRP A 36 -5.766 -13.026 -5.311 1.00 0.00 C ATOM 0 H TRP A 36 -3.304 -14.961 -0.440 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.910 -17.422 -1.052 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.764 -17.566 -2.767 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.262 -17.544 -1.087 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -6.124 -15.999 -0.462 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.605 -14.287 -1.674 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.256 -15.255 -4.661 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -7.514 -12.736 -4.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.922 -13.531 -6.308 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.065 -12.302 -6.054 1.00 0.00 H new ATOM 550 N CYS A 37 -0.881 -14.992 -2.667 1.00 0.00 N ATOM 551 CA CYS A 37 -0.074 -14.489 -3.785 1.00 0.00 C ATOM 552 C CYS A 37 1.438 -14.457 -3.464 1.00 0.00 C ATOM 553 O CYS A 37 1.895 -13.705 -2.598 1.00 0.00 O ATOM 554 CB CYS A 37 -0.645 -13.120 -4.171 1.00 0.00 C ATOM 555 SG CYS A 37 0.243 -12.419 -5.590 1.00 0.00 S ATOM 0 H CYS A 37 -0.922 -14.346 -1.879 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.140 -15.167 -4.636 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.703 -13.219 -4.413 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.574 -12.440 -3.322 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.588 -12.229 -6.571 1.00 0.00 H new ATOM 561 N GLY A 38 2.235 -15.232 -4.208 1.00 0.00 N ATOM 562 CA GLY A 38 3.701 -15.285 -4.077 1.00 0.00 C ATOM 563 C GLY A 38 4.396 -13.930 -4.296 1.00 0.00 C ATOM 564 O GLY A 38 5.181 -13.513 -3.444 1.00 0.00 O ATOM 0 H GLY A 38 1.875 -15.853 -4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.954 -15.656 -3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.094 -16.004 -4.795 1.00 0.00 H new ATOM 568 N PRO A 39 4.070 -13.173 -5.362 1.00 0.00 N ATOM 569 CA PRO A 39 4.539 -11.796 -5.534 1.00 0.00 C ATOM 570 C PRO A 39 4.143 -10.834 -4.396 1.00 0.00 C ATOM 571 O PRO A 39 4.925 -9.943 -4.062 1.00 0.00 O ATOM 572 CB PRO A 39 3.967 -11.354 -6.881 1.00 0.00 C ATOM 573 CG PRO A 39 3.893 -12.656 -7.675 1.00 0.00 C ATOM 574 CD PRO A 39 3.503 -13.675 -6.607 1.00 0.00 C ATOM 0 HA PRO A 39 5.628 -11.765 -5.505 1.00 0.00 H new ATOM 0 HB2 PRO A 39 2.985 -10.894 -6.770 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.609 -10.621 -7.370 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.153 -12.602 -8.474 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.847 -12.902 -8.141 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.420 -13.771 -6.534 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.895 -14.663 -6.846 1.00 0.00 H new ATOM 582 N CYS A 40 2.989 -11.027 -3.740 1.00 0.00 N ATOM 583 CA CYS A 40 2.649 -10.273 -2.523 1.00 0.00 C ATOM 584 C CYS A 40 3.589 -10.637 -1.363 1.00 0.00 C ATOM 585 O CYS A 40 4.126 -9.740 -0.710 1.00 0.00 O ATOM 586 CB CYS A 40 1.185 -10.484 -2.114 1.00 0.00 C ATOM 587 SG CYS A 40 0.044 -9.747 -3.315 1.00 0.00 S ATOM 0 H CYS A 40 2.277 -11.697 -4.030 1.00 0.00 H new ATOM 0 HA CYS A 40 2.782 -9.216 -2.755 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.982 -11.551 -2.025 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.014 -10.044 -1.131 1.00 0.00 H new ATOM 0 HG CYS A 40 -0.076 -10.537 -4.341 1.00 0.00 H new ATOM 593 N LYS A 41 3.862 -11.933 -1.146 1.00 0.00 N ATOM 594 CA LYS A 41 4.857 -12.405 -0.157 1.00 0.00 C ATOM 595 C LYS A 41 6.275 -11.894 -0.455 1.00 0.00 C ATOM 596 O LYS A 41 7.049 -11.680 0.476 1.00 0.00 O ATOM 597 CB LYS A 41 4.859 -13.945 -0.082 1.00 0.00 C ATOM 598 CG LYS A 41 3.545 -14.578 0.402 1.00 0.00 C ATOM 599 CD LYS A 41 3.289 -14.371 1.900 1.00 0.00 C ATOM 600 CE LYS A 41 1.976 -15.069 2.265 1.00 0.00 C ATOM 601 NZ LYS A 41 1.667 -14.972 3.714 1.00 0.00 N ATOM 0 H LYS A 41 3.400 -12.689 -1.651 1.00 0.00 H new ATOM 0 HA LYS A 41 4.558 -11.993 0.807 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.092 -14.341 -1.071 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.662 -14.259 0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.715 -14.154 -0.164 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.564 -15.647 0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.112 -14.780 2.486 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.231 -13.308 2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.161 -14.627 1.692 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.034 -16.119 1.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.652 -15.143 3.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.219 -15.683 4.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.913 -14.022 4.059 1.00 0.00 H new ATOM 615 N MET A 42 6.607 -11.661 -1.728 1.00 0.00 N ATOM 616 CA MET A 42 7.899 -11.121 -2.171 1.00 0.00 C ATOM 617 C MET A 42 8.058 -9.618 -1.873 1.00 0.00 C ATOM 618 O MET A 42 9.118 -9.205 -1.402 1.00 0.00 O ATOM 619 CB MET A 42 8.081 -11.429 -3.668 1.00 0.00 C ATOM 620 CG MET A 42 9.454 -11.022 -4.215 1.00 0.00 C ATOM 621 SD MET A 42 10.868 -11.876 -3.464 1.00 0.00 S ATOM 622 CE MET A 42 12.217 -11.049 -4.350 1.00 0.00 C ATOM 0 H MET A 42 5.968 -11.847 -2.501 1.00 0.00 H new ATOM 0 HA MET A 42 8.688 -11.610 -1.599 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.936 -12.497 -3.831 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.306 -10.912 -4.234 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.468 -11.205 -5.289 1.00 0.00 H new ATOM 0 HG3 MET A 42 9.581 -9.949 -4.073 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.173 -11.451 -4.014 1.00 0.00 H new ATOM 0 HE2 MET A 42 12.108 -11.220 -5.421 1.00 0.00 H new ATOM 0 HE3 MET A 42 12.182 -9.978 -4.148 1.00 0.00 H new ATOM 632 N VAL A 43 7.023 -8.793 -2.101 1.00 0.00 N ATOM 633 CA VAL A 43 7.086 -7.337 -1.821 1.00 0.00 C ATOM 634 C VAL A 43 6.773 -6.966 -0.361 1.00 0.00 C ATOM 635 O VAL A 43 7.220 -5.922 0.112 1.00 0.00 O ATOM 636 CB VAL A 43 6.240 -6.549 -2.843 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.734 -6.634 -2.582 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.652 -5.075 -2.928 1.00 0.00 C ATOM 0 H VAL A 43 6.128 -9.104 -2.479 1.00 0.00 H new ATOM 0 HA VAL A 43 8.126 -7.037 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 43 6.445 -7.034 -3.797 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.201 -6.057 -3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.415 -7.675 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.513 -6.230 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.027 -4.564 -3.661 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.526 -4.605 -1.953 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.697 -5.006 -3.231 1.00 0.00 H new ATOM 648 N ALA A 44 6.079 -7.827 0.392 1.00 0.00 N ATOM 649 CA ALA A 44 5.775 -7.628 1.815 1.00 0.00 C ATOM 650 C ALA A 44 6.993 -7.286 2.708 1.00 0.00 C ATOM 651 O ALA A 44 6.904 -6.285 3.422 1.00 0.00 O ATOM 652 CB ALA A 44 5.002 -8.847 2.337 1.00 0.00 C ATOM 0 H ALA A 44 5.705 -8.701 0.022 1.00 0.00 H new ATOM 0 HA ALA A 44 5.156 -6.733 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.772 -8.707 3.393 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.074 -8.957 1.775 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.610 -9.743 2.213 1.00 0.00 H new ATOM 658 N PRO A 45 8.137 -8.007 2.681 1.00 0.00 N ATOM 659 CA PRO A 45 9.308 -7.635 3.483 1.00 0.00 C ATOM 660 C PRO A 45 9.931 -6.297 3.052 1.00 0.00 C ATOM 661 O PRO A 45 10.447 -5.569 3.899 1.00 0.00 O ATOM 662 CB PRO A 45 10.295 -8.800 3.339 1.00 0.00 C ATOM 663 CG PRO A 45 9.913 -9.434 2.004 1.00 0.00 C ATOM 664 CD PRO A 45 8.398 -9.255 1.979 1.00 0.00 C ATOM 0 HA PRO A 45 9.025 -7.474 4.523 1.00 0.00 H new ATOM 0 HB2 PRO A 45 11.328 -8.452 3.336 1.00 0.00 H new ATOM 0 HB3 PRO A 45 10.200 -9.509 4.161 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.395 -8.934 1.164 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.199 -10.485 1.956 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.026 -9.214 0.955 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.897 -10.091 2.467 1.00 0.00 H new ATOM 672 N VAL A 46 9.836 -5.926 1.767 1.00 0.00 N ATOM 673 CA VAL A 46 10.318 -4.622 1.272 1.00 0.00 C ATOM 674 C VAL A 46 9.448 -3.491 1.832 1.00 0.00 C ATOM 675 O VAL A 46 9.967 -2.544 2.424 1.00 0.00 O ATOM 676 CB VAL A 46 10.392 -4.574 -0.271 1.00 0.00 C ATOM 677 CG1 VAL A 46 10.990 -3.258 -0.733 1.00 0.00 C ATOM 678 CG2 VAL A 46 11.263 -5.710 -0.821 1.00 0.00 C ATOM 0 H VAL A 46 9.426 -6.515 1.043 1.00 0.00 H new ATOM 0 HA VAL A 46 11.338 -4.484 1.631 1.00 0.00 H new ATOM 0 HB VAL A 46 9.374 -4.680 -0.645 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.035 -3.241 -1.822 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.369 -2.433 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.996 -3.153 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.296 -5.649 -1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 46 12.273 -5.620 -0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.840 -6.670 -0.524 1.00 0.00 H new ATOM 688 N LEU A 47 8.122 -3.622 1.721 1.00 0.00 N ATOM 689 CA LEU A 47 7.151 -2.691 2.306 1.00 0.00 C ATOM 690 C LEU A 47 7.249 -2.613 3.838 1.00 0.00 C ATOM 691 O LEU A 47 7.064 -1.537 4.397 1.00 0.00 O ATOM 692 CB LEU A 47 5.734 -3.127 1.899 1.00 0.00 C ATOM 693 CG LEU A 47 5.291 -2.649 0.510 1.00 0.00 C ATOM 694 CD1 LEU A 47 4.018 -3.391 0.120 1.00 0.00 C ATOM 695 CD2 LEU A 47 4.998 -1.146 0.502 1.00 0.00 C ATOM 0 H LEU A 47 7.686 -4.391 1.213 1.00 0.00 H new ATOM 0 HA LEU A 47 7.376 -1.695 1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.681 -4.215 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.027 -2.754 2.640 1.00 0.00 H new ATOM 0 HG LEU A 47 6.098 -2.849 -0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.692 -3.060 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.214 -4.463 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.236 -3.181 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.687 -0.841 -0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.201 -0.927 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.897 -0.599 0.785 1.00 0.00 H new ATOM 707 N GLU A 48 7.559 -3.713 4.528 1.00 0.00 N ATOM 708 CA GLU A 48 7.723 -3.739 5.988 1.00 0.00 C ATOM 709 C GLU A 48 9.002 -3.012 6.442 1.00 0.00 C ATOM 710 O GLU A 48 8.969 -2.234 7.400 1.00 0.00 O ATOM 711 CB GLU A 48 7.686 -5.198 6.469 1.00 0.00 C ATOM 712 CG GLU A 48 7.574 -5.304 7.992 1.00 0.00 C ATOM 713 CD GLU A 48 7.478 -6.777 8.435 1.00 0.00 C ATOM 714 OE1 GLU A 48 8.532 -7.440 8.595 1.00 0.00 O ATOM 715 OE2 GLU A 48 6.346 -7.287 8.627 1.00 0.00 O ATOM 0 H GLU A 48 7.705 -4.621 4.087 1.00 0.00 H new ATOM 0 HA GLU A 48 6.898 -3.193 6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.841 -5.709 6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.588 -5.711 6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.441 -4.836 8.458 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.695 -4.759 8.335 1.00 0.00 H new ATOM 722 N GLU A 49 10.117 -3.172 5.720 1.00 0.00 N ATOM 723 CA GLU A 49 11.316 -2.353 5.939 1.00 0.00 C ATOM 724 C GLU A 49 11.038 -0.866 5.676 1.00 0.00 C ATOM 725 O GLU A 49 11.427 -0.026 6.482 1.00 0.00 O ATOM 726 CB GLU A 49 12.480 -2.830 5.060 1.00 0.00 C ATOM 727 CG GLU A 49 13.163 -4.080 5.627 1.00 0.00 C ATOM 728 CD GLU A 49 14.391 -4.479 4.785 1.00 0.00 C ATOM 729 OE1 GLU A 49 15.271 -3.613 4.555 1.00 0.00 O ATOM 730 OE2 GLU A 49 14.496 -5.657 4.365 1.00 0.00 O ATOM 0 H GLU A 49 10.214 -3.863 4.976 1.00 0.00 H new ATOM 0 HA GLU A 49 11.596 -2.470 6.986 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.111 -3.044 4.057 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.213 -2.029 4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.470 -3.894 6.656 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.452 -4.906 5.651 1.00 0.00 H new ATOM 737 N ILE A 50 10.306 -0.527 4.610 1.00 0.00 N ATOM 738 CA ILE A 50 9.881 0.855 4.324 1.00 0.00 C ATOM 739 C ILE A 50 8.985 1.398 5.450 1.00 0.00 C ATOM 740 O ILE A 50 9.206 2.511 5.922 1.00 0.00 O ATOM 741 CB ILE A 50 9.191 0.892 2.939 1.00 0.00 C ATOM 742 CG1 ILE A 50 10.252 0.714 1.827 1.00 0.00 C ATOM 743 CG2 ILE A 50 8.373 2.175 2.686 1.00 0.00 C ATOM 744 CD1 ILE A 50 9.652 0.223 0.507 1.00 0.00 C ATOM 0 H ILE A 50 9.988 -1.203 3.916 1.00 0.00 H new ATOM 0 HA ILE A 50 10.749 1.513 4.287 1.00 0.00 H new ATOM 0 HB ILE A 50 8.477 0.069 2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.759 1.664 1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 50 11.008 0.005 2.163 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.920 2.128 1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.590 2.262 3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.030 3.043 2.743 1.00 0.00 H new ATOM 0 HD11 ILE A 50 10.443 0.117 -0.235 1.00 0.00 H new ATOM 0 HD12 ILE A 50 9.169 -0.742 0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.916 0.944 0.152 1.00 0.00 H new ATOM 756 N ALA A 51 8.031 0.608 5.945 1.00 0.00 N ATOM 757 CA ALA A 51 7.165 0.975 7.066 1.00 0.00 C ATOM 758 C ALA A 51 7.958 1.254 8.350 1.00 0.00 C ATOM 759 O ALA A 51 7.610 2.138 9.128 1.00 0.00 O ATOM 760 CB ALA A 51 6.187 -0.176 7.315 1.00 0.00 C ATOM 0 H ALA A 51 7.835 -0.321 5.572 1.00 0.00 H new ATOM 0 HA ALA A 51 6.639 1.894 6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.531 0.077 8.148 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.588 -0.345 6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.744 -1.082 7.555 1.00 0.00 H new ATOM 766 N THR A 52 9.015 0.483 8.588 1.00 0.00 N ATOM 767 CA THR A 52 9.886 0.629 9.766 1.00 0.00 C ATOM 768 C THR A 52 10.834 1.828 9.640 1.00 0.00 C ATOM 769 O THR A 52 10.970 2.622 10.570 1.00 0.00 O ATOM 770 CB THR A 52 10.692 -0.662 9.999 1.00 0.00 C ATOM 771 OG1 THR A 52 9.836 -1.784 10.017 1.00 0.00 O ATOM 772 CG2 THR A 52 11.425 -0.659 11.338 1.00 0.00 C ATOM 0 H THR A 52 9.300 -0.272 7.965 1.00 0.00 H new ATOM 0 HA THR A 52 9.240 0.812 10.625 1.00 0.00 H new ATOM 0 HB THR A 52 11.411 -0.712 9.182 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.514 -1.965 9.109 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.978 -1.592 11.452 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.119 0.181 11.371 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.702 -0.564 12.148 1.00 0.00 H new ATOM 780 N GLU A 53 11.498 1.971 8.491 1.00 0.00 N ATOM 781 CA GLU A 53 12.627 2.891 8.289 1.00 0.00 C ATOM 782 C GLU A 53 12.248 4.257 7.702 1.00 0.00 C ATOM 783 O GLU A 53 13.011 5.218 7.830 1.00 0.00 O ATOM 784 CB GLU A 53 13.672 2.209 7.397 1.00 0.00 C ATOM 785 CG GLU A 53 14.260 0.955 8.063 1.00 0.00 C ATOM 786 CD GLU A 53 15.583 0.544 7.398 1.00 0.00 C ATOM 787 OE1 GLU A 53 15.608 0.384 6.155 1.00 0.00 O ATOM 788 OE2 GLU A 53 16.603 0.375 8.110 1.00 0.00 O ATOM 0 H GLU A 53 11.262 1.439 7.653 1.00 0.00 H new ATOM 0 HA GLU A 53 13.027 3.107 9.280 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.215 1.935 6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.474 2.912 7.174 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.426 1.147 9.123 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.545 0.135 7.996 1.00 0.00 H new ATOM 795 N ARG A 54 11.098 4.365 7.026 1.00 0.00 N ATOM 796 CA ARG A 54 10.565 5.608 6.427 1.00 0.00 C ATOM 797 C ARG A 54 9.363 6.150 7.215 1.00 0.00 C ATOM 798 O ARG A 54 8.629 6.993 6.708 1.00 0.00 O ATOM 799 CB ARG A 54 10.251 5.410 4.923 1.00 0.00 C ATOM 800 CG ARG A 54 11.291 4.637 4.080 1.00 0.00 C ATOM 801 CD ARG A 54 12.619 5.349 3.782 1.00 0.00 C ATOM 802 NE ARG A 54 13.349 5.746 4.995 1.00 0.00 N ATOM 803 CZ ARG A 54 14.352 6.594 5.087 1.00 0.00 C ATOM 804 NH1 ARG A 54 14.934 7.120 4.050 1.00 0.00 N ATOM 805 NH2 ARG A 54 14.792 6.942 6.257 1.00 0.00 N ATOM 0 H ARG A 54 10.486 3.564 6.872 1.00 0.00 H new ATOM 0 HA ARG A 54 11.340 6.371 6.493 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.297 4.889 4.843 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.116 6.394 4.474 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.516 3.703 4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.827 4.374 3.129 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.250 4.691 3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.421 6.235 3.179 1.00 0.00 H new ATOM 0 HE ARG A 54 13.043 5.314 5.867 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.617 6.880 3.111 1.00 0.00 H new ATOM 0 HH12 ARG A 54 15.708 7.773 4.176 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.361 6.559 7.099 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.569 7.599 6.335 1.00 0.00 H new ATOM 819 N ALA A 55 9.167 5.689 8.454 1.00 0.00 N ATOM 820 CA ALA A 55 8.008 5.975 9.311 1.00 0.00 C ATOM 821 C ALA A 55 7.719 7.475 9.536 1.00 0.00 C ATOM 822 O ALA A 55 6.570 7.859 9.759 1.00 0.00 O ATOM 823 CB ALA A 55 8.246 5.277 10.657 1.00 0.00 C ATOM 0 H ALA A 55 9.843 5.077 8.910 1.00 0.00 H new ATOM 0 HA ALA A 55 7.124 5.599 8.797 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.403 5.469 11.320 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.346 4.203 10.497 1.00 0.00 H new ATOM 0 HB3 ALA A 55 9.159 5.663 11.110 1.00 0.00 H new ATOM 829 N THR A 56 8.740 8.334 9.474 1.00 0.00 N ATOM 830 CA THR A 56 8.621 9.800 9.589 1.00 0.00 C ATOM 831 C THR A 56 8.128 10.486 8.305 1.00 0.00 C ATOM 832 O THR A 56 7.619 11.605 8.369 1.00 0.00 O ATOM 833 CB THR A 56 9.968 10.411 10.012 1.00 0.00 C ATOM 834 OG1 THR A 56 11.015 9.879 9.224 1.00 0.00 O ATOM 835 CG2 THR A 56 10.292 10.095 11.473 1.00 0.00 C ATOM 0 H THR A 56 9.703 8.025 9.339 1.00 0.00 H new ATOM 0 HA THR A 56 7.862 9.979 10.351 1.00 0.00 H new ATOM 0 HB THR A 56 9.884 11.489 9.877 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.867 10.276 9.501 1.00 0.00 H new ATOM 0 HG21 THR A 56 11.250 10.542 11.738 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.511 10.503 12.115 1.00 0.00 H new ATOM 0 HG23 THR A 56 10.346 9.015 11.608 1.00 0.00 H new ATOM 843 N ASP A 57 8.236 9.824 7.148 1.00 0.00 N ATOM 844 CA ASP A 57 7.848 10.336 5.823 1.00 0.00 C ATOM 845 C ASP A 57 6.622 9.623 5.222 1.00 0.00 C ATOM 846 O ASP A 57 5.868 10.232 4.465 1.00 0.00 O ATOM 847 CB ASP A 57 9.046 10.199 4.873 1.00 0.00 C ATOM 848 CG ASP A 57 10.161 11.207 5.197 1.00 0.00 C ATOM 849 OD1 ASP A 57 9.940 12.428 5.014 1.00 0.00 O ATOM 850 OD2 ASP A 57 11.269 10.784 5.602 1.00 0.00 O ATOM 0 H ASP A 57 8.612 8.877 7.104 1.00 0.00 H new ATOM 0 HA ASP A 57 7.560 11.380 5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.444 9.186 4.936 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.712 10.347 3.846 1.00 0.00 H new ATOM 855 N LEU A 58 6.406 8.352 5.574 1.00 0.00 N ATOM 856 CA LEU A 58 5.330 7.481 5.091 1.00 0.00 C ATOM 857 C LEU A 58 4.597 6.810 6.261 1.00 0.00 C ATOM 858 O LEU A 58 5.203 6.465 7.277 1.00 0.00 O ATOM 859 CB LEU A 58 5.916 6.381 4.175 1.00 0.00 C ATOM 860 CG LEU A 58 6.512 6.845 2.837 1.00 0.00 C ATOM 861 CD1 LEU A 58 7.224 5.675 2.157 1.00 0.00 C ATOM 862 CD2 LEU A 58 5.437 7.344 1.876 1.00 0.00 C ATOM 0 H LEU A 58 7.012 7.876 6.242 1.00 0.00 H new ATOM 0 HA LEU A 58 4.623 8.098 4.535 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.693 5.854 4.729 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.128 5.658 3.964 1.00 0.00 H new ATOM 0 HG LEU A 58 7.201 7.659 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.646 6.007 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 58 8.024 5.311 2.802 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.511 4.871 1.975 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.902 7.662 0.943 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.729 6.540 1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.911 8.186 2.325 1.00 0.00 H new ATOM 874 N THR A 59 3.306 6.544 6.077 1.00 0.00 N ATOM 875 CA THR A 59 2.592 5.461 6.777 1.00 0.00 C ATOM 876 C THR A 59 2.297 4.359 5.764 1.00 0.00 C ATOM 877 O THR A 59 1.833 4.651 4.659 1.00 0.00 O ATOM 878 CB THR A 59 1.305 5.964 7.448 1.00 0.00 C ATOM 879 OG1 THR A 59 1.646 6.894 8.454 1.00 0.00 O ATOM 880 CG2 THR A 59 0.513 4.851 8.138 1.00 0.00 C ATOM 0 H THR A 59 2.716 7.073 5.435 1.00 0.00 H new ATOM 0 HA THR A 59 3.218 5.072 7.580 1.00 0.00 H new ATOM 0 HB THR A 59 0.693 6.396 6.656 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.830 7.222 8.887 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.384 5.271 8.592 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.229 4.097 7.403 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.129 4.391 8.910 1.00 0.00 H new ATOM 888 N VAL A 60 2.571 3.099 6.114 1.00 0.00 N ATOM 889 CA VAL A 60 2.359 1.946 5.226 1.00 0.00 C ATOM 890 C VAL A 60 1.093 1.193 5.646 1.00 0.00 C ATOM 891 O VAL A 60 0.893 0.880 6.818 1.00 0.00 O ATOM 892 CB VAL A 60 3.614 1.051 5.162 1.00 0.00 C ATOM 893 CG1 VAL A 60 3.371 -0.237 4.363 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.761 1.806 4.474 1.00 0.00 C ATOM 0 H VAL A 60 2.949 2.846 7.027 1.00 0.00 H new ATOM 0 HA VAL A 60 2.199 2.297 4.206 1.00 0.00 H new ATOM 0 HB VAL A 60 3.864 0.793 6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.284 -0.833 4.347 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.571 -0.811 4.832 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.085 0.017 3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.644 1.168 4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.462 2.078 3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.993 2.709 5.039 1.00 0.00 H new ATOM 904 N ALA A 61 0.226 0.903 4.683 1.00 0.00 N ATOM 905 CA ALA A 61 -1.085 0.300 4.872 1.00 0.00 C ATOM 906 C ALA A 61 -1.297 -0.918 3.956 1.00 0.00 C ATOM 907 O ALA A 61 -0.700 -1.027 2.883 1.00 0.00 O ATOM 908 CB ALA A 61 -2.146 1.383 4.644 1.00 0.00 C ATOM 0 H ALA A 61 0.430 1.092 3.702 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.168 -0.083 5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.139 0.954 4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.999 2.193 5.359 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.056 1.773 3.630 1.00 0.00 H new ATOM 914 N LYS A 62 -2.182 -1.824 4.374 1.00 0.00 N ATOM 915 CA LYS A 62 -2.554 -3.054 3.665 1.00 0.00 C ATOM 916 C LYS A 62 -4.063 -3.100 3.426 1.00 0.00 C ATOM 917 O LYS A 62 -4.830 -2.961 4.379 1.00 0.00 O ATOM 918 CB LYS A 62 -2.096 -4.265 4.501 1.00 0.00 C ATOM 919 CG LYS A 62 -0.572 -4.481 4.507 1.00 0.00 C ATOM 920 CD LYS A 62 -0.095 -5.173 3.224 1.00 0.00 C ATOM 921 CE LYS A 62 1.414 -5.418 3.240 1.00 0.00 C ATOM 922 NZ LYS A 62 1.810 -6.299 2.111 1.00 0.00 N ATOM 0 H LYS A 62 -2.683 -1.718 5.256 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.065 -3.079 2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.438 -4.135 5.528 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.578 -5.163 4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.068 -3.520 4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.293 -5.083 5.371 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -0.617 -6.123 3.108 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.355 -4.559 2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.943 -4.468 3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.704 -5.876 4.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.840 -6.442 2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.332 -7.218 2.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.536 -5.855 1.211 1.00 0.00 H new ATOM 936 N LEU A 63 -4.482 -3.332 2.181 1.00 0.00 N ATOM 937 CA LEU A 63 -5.855 -3.720 1.842 1.00 0.00 C ATOM 938 C LEU A 63 -5.839 -5.191 1.427 1.00 0.00 C ATOM 939 O LEU A 63 -5.259 -5.573 0.410 1.00 0.00 O ATOM 940 CB LEU A 63 -6.437 -2.761 0.776 1.00 0.00 C ATOM 941 CG LEU A 63 -7.932 -2.925 0.401 1.00 0.00 C ATOM 942 CD1 LEU A 63 -8.236 -4.243 -0.314 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.851 -2.802 1.616 1.00 0.00 C ATOM 0 H LEU A 63 -3.871 -3.255 1.368 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.524 -3.628 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.289 -1.740 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.848 -2.874 -0.134 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.132 -2.106 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.299 -4.293 -0.548 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.659 -4.298 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.967 -5.078 0.333 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.888 -2.924 1.302 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.599 -3.574 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.723 -1.820 2.071 1.00 0.00 H new ATOM 955 N ASP A 64 -6.485 -6.018 2.238 1.00 0.00 N ATOM 956 CA ASP A 64 -6.557 -7.461 2.046 1.00 0.00 C ATOM 957 C ASP A 64 -7.659 -7.768 1.020 1.00 0.00 C ATOM 958 O ASP A 64 -8.843 -7.749 1.361 1.00 0.00 O ATOM 959 CB ASP A 64 -6.885 -8.123 3.393 1.00 0.00 C ATOM 960 CG ASP A 64 -5.782 -8.099 4.463 1.00 0.00 C ATOM 961 OD1 ASP A 64 -4.956 -7.160 4.506 1.00 0.00 O ATOM 962 OD2 ASP A 64 -5.822 -8.988 5.346 1.00 0.00 O ATOM 0 H ASP A 64 -6.985 -5.697 3.067 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.607 -7.848 1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.769 -7.636 3.805 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.153 -9.163 3.204 1.00 0.00 H new ATOM 967 N VAL A 65 -7.311 -8.066 -0.237 1.00 0.00 N ATOM 968 CA VAL A 65 -8.323 -8.304 -1.291 1.00 0.00 C ATOM 969 C VAL A 65 -9.164 -9.560 -1.034 1.00 0.00 C ATOM 970 O VAL A 65 -10.250 -9.709 -1.592 1.00 0.00 O ATOM 971 CB VAL A 65 -7.731 -8.322 -2.715 1.00 0.00 C ATOM 972 CG1 VAL A 65 -6.861 -7.085 -2.976 1.00 0.00 C ATOM 973 CG2 VAL A 65 -6.912 -9.562 -3.076 1.00 0.00 C ATOM 0 H VAL A 65 -6.345 -8.149 -0.555 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.990 -7.443 -1.235 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.616 -8.330 -3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.460 -7.130 -3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.466 -6.185 -2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.039 -7.061 -2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.544 -9.470 -4.098 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.067 -9.652 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -7.540 -10.449 -2.995 1.00 0.00 H new ATOM 983 N ASP A 66 -8.687 -10.445 -0.155 1.00 0.00 N ATOM 984 CA ASP A 66 -9.384 -11.657 0.276 1.00 0.00 C ATOM 985 C ASP A 66 -10.489 -11.397 1.326 1.00 0.00 C ATOM 986 O ASP A 66 -11.397 -12.219 1.463 1.00 0.00 O ATOM 987 CB ASP A 66 -8.336 -12.654 0.789 1.00 0.00 C ATOM 988 CG ASP A 66 -8.878 -14.091 0.786 1.00 0.00 C ATOM 989 OD1 ASP A 66 -9.102 -14.630 -0.324 1.00 0.00 O ATOM 990 OD2 ASP A 66 -9.038 -14.691 1.876 1.00 0.00 O ATOM 0 H ASP A 66 -7.776 -10.333 0.290 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.915 -12.071 -0.581 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.444 -12.599 0.165 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.035 -12.379 1.800 1.00 0.00 H new ATOM 995 N THR A 67 -10.455 -10.255 2.036 1.00 0.00 N ATOM 996 CA THR A 67 -11.511 -9.835 2.989 1.00 0.00 C ATOM 997 C THR A 67 -12.245 -8.555 2.574 1.00 0.00 C ATOM 998 O THR A 67 -13.389 -8.351 2.985 1.00 0.00 O ATOM 999 CB THR A 67 -10.990 -9.693 4.434 1.00 0.00 C ATOM 1000 OG1 THR A 67 -10.012 -8.681 4.579 1.00 0.00 O ATOM 1001 CG2 THR A 67 -10.359 -10.985 4.951 1.00 0.00 C ATOM 0 H THR A 67 -9.687 -9.587 1.967 1.00 0.00 H new ATOM 0 HA THR A 67 -12.234 -10.650 2.959 1.00 0.00 H new ATOM 0 HB THR A 67 -11.879 -9.435 5.009 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.403 -7.913 5.046 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.007 -10.835 5.972 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.101 -11.783 4.936 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.518 -11.259 4.314 1.00 0.00 H new ATOM 1009 N ASN A 68 -11.636 -7.711 1.733 1.00 0.00 N ATOM 1010 CA ASN A 68 -12.219 -6.483 1.184 1.00 0.00 C ATOM 1011 C ASN A 68 -12.075 -6.409 -0.357 1.00 0.00 C ATOM 1012 O ASN A 68 -11.450 -5.479 -0.880 1.00 0.00 O ATOM 1013 CB ASN A 68 -11.597 -5.283 1.925 1.00 0.00 C ATOM 1014 CG ASN A 68 -11.913 -5.290 3.409 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -13.121 -4.930 3.786 1.00 0.00 O flip ATOM 1016 ND2 ASN A 68 -11.093 -5.631 4.247 1.00 0.00 N flip ATOM 0 H ASN A 68 -10.684 -7.872 1.403 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.296 -6.469 1.352 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -10.516 -5.295 1.787 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.964 -4.357 1.483 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.155 -5.911 3.959 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.346 -5.636 5.235 1.00 0.00 H new ATOM 1023 N PRO A 69 -12.682 -7.344 -1.120 1.00 0.00 N ATOM 1024 CA PRO A 69 -12.680 -7.297 -2.588 1.00 0.00 C ATOM 1025 C PRO A 69 -13.438 -6.080 -3.145 1.00 0.00 C ATOM 1026 O PRO A 69 -13.179 -5.653 -4.270 1.00 0.00 O ATOM 1027 CB PRO A 69 -13.327 -8.614 -3.034 1.00 0.00 C ATOM 1028 CG PRO A 69 -14.260 -8.962 -1.876 1.00 0.00 C ATOM 1029 CD PRO A 69 -13.477 -8.476 -0.658 1.00 0.00 C ATOM 0 HA PRO A 69 -11.666 -7.187 -2.972 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -13.874 -8.496 -3.969 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -12.582 -9.392 -3.197 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -15.223 -8.459 -1.966 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -14.463 -10.032 -1.827 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -14.150 -8.178 0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.839 -9.266 -0.263 1.00 0.00 H new ATOM 1037 N GLU A 70 -14.332 -5.473 -2.356 1.00 0.00 N ATOM 1038 CA GLU A 70 -15.058 -4.254 -2.729 1.00 0.00 C ATOM 1039 C GLU A 70 -14.104 -3.069 -2.951 1.00 0.00 C ATOM 1040 O GLU A 70 -14.255 -2.332 -3.925 1.00 0.00 O ATOM 1041 CB GLU A 70 -16.092 -3.911 -1.639 1.00 0.00 C ATOM 1042 CG GLU A 70 -17.097 -5.033 -1.329 1.00 0.00 C ATOM 1043 CD GLU A 70 -17.860 -5.486 -2.583 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -18.787 -4.777 -3.037 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -17.502 -6.529 -3.178 1.00 0.00 O ATOM 0 H GLU A 70 -14.575 -5.820 -1.428 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.571 -4.441 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.561 -3.654 -0.722 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.644 -3.023 -1.948 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -16.569 -5.884 -0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.807 -4.686 -0.578 1.00 0.00 H new ATOM 1052 N THR A 71 -13.069 -2.929 -2.114 1.00 0.00 N ATOM 1053 CA THR A 71 -12.062 -1.857 -2.225 1.00 0.00 C ATOM 1054 C THR A 71 -11.109 -2.103 -3.394 1.00 0.00 C ATOM 1055 O THR A 71 -10.763 -1.169 -4.117 1.00 0.00 O ATOM 1056 CB THR A 71 -11.276 -1.689 -0.920 1.00 0.00 C ATOM 1057 OG1 THR A 71 -12.112 -1.888 0.193 1.00 0.00 O ATOM 1058 CG2 THR A 71 -10.673 -0.294 -0.769 1.00 0.00 C ATOM 0 H THR A 71 -12.902 -3.561 -1.331 1.00 0.00 H new ATOM 0 HA THR A 71 -12.602 -0.930 -2.418 1.00 0.00 H new ATOM 0 HB THR A 71 -10.478 -2.430 -0.964 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.992 -1.495 0.016 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.128 -0.233 0.173 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.990 -0.101 -1.596 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.470 0.450 -0.776 1.00 0.00 H new ATOM 1066 N ALA A 72 -10.745 -3.367 -3.642 1.00 0.00 N ATOM 1067 CA ALA A 72 -9.987 -3.772 -4.828 1.00 0.00 C ATOM 1068 C ALA A 72 -10.739 -3.436 -6.124 1.00 0.00 C ATOM 1069 O ALA A 72 -10.152 -2.877 -7.053 1.00 0.00 O ATOM 1070 CB ALA A 72 -9.667 -5.266 -4.714 1.00 0.00 C ATOM 0 H ALA A 72 -10.971 -4.142 -3.019 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.054 -3.211 -4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.102 -5.585 -5.590 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.075 -5.444 -3.816 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -10.596 -5.834 -4.655 1.00 0.00 H new ATOM 1076 N ARG A 73 -12.050 -3.706 -6.172 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.894 -3.414 -7.339 1.00 0.00 C ATOM 1078 C ARG A 73 -13.197 -1.920 -7.503 1.00 0.00 C ATOM 1079 O ARG A 73 -13.235 -1.441 -8.634 1.00 0.00 O ATOM 1080 CB ARG A 73 -14.169 -4.271 -7.261 1.00 0.00 C ATOM 1081 CG ARG A 73 -14.946 -4.283 -8.590 1.00 0.00 C ATOM 1082 CD ARG A 73 -16.172 -5.207 -8.551 1.00 0.00 C ATOM 1083 NE ARG A 73 -17.237 -4.679 -7.673 1.00 0.00 N ATOM 1084 CZ ARG A 73 -17.524 -5.047 -6.435 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -16.874 -5.987 -5.814 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -18.481 -4.457 -5.784 1.00 0.00 N ATOM 0 H ARG A 73 -12.558 -4.135 -5.399 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.342 -3.681 -8.240 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -13.902 -5.292 -6.989 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -14.813 -3.889 -6.469 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.268 -3.269 -8.827 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.281 -4.602 -9.392 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -16.564 -5.332 -9.561 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.871 -6.194 -8.201 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.821 -3.942 -8.069 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.109 -6.473 -6.282 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.129 -6.238 -4.859 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.013 -3.708 -6.227 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.700 -4.743 -4.830 1.00 0.00 H new ATOM 1100 N ASN A 74 -13.333 -1.165 -6.408 1.00 0.00 N ATOM 1101 CA ASN A 74 -13.612 0.279 -6.421 1.00 0.00 C ATOM 1102 C ASN A 74 -12.570 1.086 -7.222 1.00 0.00 C ATOM 1103 O ASN A 74 -12.937 1.966 -8.002 1.00 0.00 O ATOM 1104 CB ASN A 74 -13.700 0.775 -4.965 1.00 0.00 C ATOM 1105 CG ASN A 74 -14.018 2.259 -4.883 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -15.156 2.681 -5.035 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -13.034 3.103 -4.663 1.00 0.00 N ATOM 0 H ASN A 74 -13.251 -1.547 -5.466 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.562 0.440 -6.932 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.468 0.211 -4.436 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.755 0.579 -4.458 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.221 4.105 -4.620 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.083 2.756 -4.536 1.00 0.00 H new ATOM 1114 N PHE A 75 -11.283 0.758 -7.062 1.00 0.00 N ATOM 1115 CA PHE A 75 -10.173 1.345 -7.830 1.00 0.00 C ATOM 1116 C PHE A 75 -9.716 0.464 -9.018 1.00 0.00 C ATOM 1117 O PHE A 75 -8.708 0.763 -9.656 1.00 0.00 O ATOM 1118 CB PHE A 75 -9.022 1.686 -6.867 1.00 0.00 C ATOM 1119 CG PHE A 75 -9.410 2.542 -5.672 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -9.696 3.910 -5.844 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -9.473 1.976 -4.383 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -10.037 4.707 -4.735 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -9.816 2.772 -3.275 1.00 0.00 C ATOM 1124 CZ PHE A 75 -10.095 4.138 -3.450 1.00 0.00 C ATOM 0 H PHE A 75 -10.975 0.063 -6.382 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.529 2.263 -8.298 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.588 0.755 -6.501 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.243 2.203 -7.427 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.654 4.349 -6.830 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.257 0.927 -4.245 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -10.254 5.756 -4.871 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.865 2.333 -2.289 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.354 4.750 -2.599 1.00 0.00 H new ATOM 1134 N GLN A 76 -10.422 -0.646 -9.285 1.00 0.00 N ATOM 1135 CA GLN A 76 -10.074 -1.755 -10.196 1.00 0.00 C ATOM 1136 C GLN A 76 -8.633 -2.306 -10.075 1.00 0.00 C ATOM 1137 O GLN A 76 -8.103 -2.923 -11.000 1.00 0.00 O ATOM 1138 CB GLN A 76 -10.597 -1.531 -11.625 1.00 0.00 C ATOM 1139 CG GLN A 76 -9.773 -0.514 -12.413 1.00 0.00 C ATOM 1140 CD GLN A 76 -10.208 -0.346 -13.871 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -11.160 -0.941 -14.363 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -9.524 0.487 -14.629 1.00 0.00 N ATOM 0 H GLN A 76 -11.323 -0.807 -8.835 1.00 0.00 H new ATOM 0 HA GLN A 76 -10.637 -2.611 -9.825 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.597 -2.481 -12.159 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.632 -1.192 -11.578 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -9.836 0.453 -11.913 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.726 -0.817 -12.391 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.728 0.993 -14.241 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -9.791 0.626 -15.604 1.00 0.00 H new ATOM 1151 N VAL A 77 -8.016 -2.157 -8.900 1.00 0.00 N ATOM 1152 CA VAL A 77 -6.691 -2.690 -8.524 1.00 0.00 C ATOM 1153 C VAL A 77 -6.763 -4.174 -8.124 1.00 0.00 C ATOM 1154 O VAL A 77 -6.148 -4.627 -7.159 1.00 0.00 O ATOM 1155 CB VAL A 77 -6.019 -1.806 -7.453 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -5.753 -0.396 -7.993 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -6.843 -1.682 -6.170 1.00 0.00 C ATOM 0 H VAL A 77 -8.446 -1.633 -8.138 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.051 -2.651 -9.405 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.082 -2.307 -7.210 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.279 0.207 -7.218 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.095 -0.456 -8.860 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.696 0.066 -8.285 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -6.315 -1.048 -5.458 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.812 -1.239 -6.401 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.990 -2.671 -5.735 1.00 0.00 H new ATOM 1167 N VAL A 78 -7.574 -4.939 -8.860 1.00 0.00 N ATOM 1168 CA VAL A 78 -7.921 -6.335 -8.556 1.00 0.00 C ATOM 1169 C VAL A 78 -6.786 -7.325 -8.865 1.00 0.00 C ATOM 1170 O VAL A 78 -6.740 -8.409 -8.282 1.00 0.00 O ATOM 1171 CB VAL A 78 -9.224 -6.746 -9.268 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -10.421 -5.939 -8.751 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -9.163 -6.612 -10.796 1.00 0.00 C ATOM 0 H VAL A 78 -8.022 -4.596 -9.710 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.080 -6.383 -7.479 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.350 -7.803 -9.033 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.325 -6.253 -9.274 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.542 -6.112 -7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.249 -4.878 -8.930 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.116 -6.919 -11.227 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.962 -5.574 -11.063 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.367 -7.247 -11.185 1.00 0.00 H new ATOM 1183 N SER A 79 -5.846 -6.946 -9.739 1.00 0.00 N ATOM 1184 CA SER A 79 -4.560 -7.634 -9.940 1.00 0.00 C ATOM 1185 C SER A 79 -3.559 -7.213 -8.858 1.00 0.00 C ATOM 1186 O SER A 79 -3.482 -6.031 -8.515 1.00 0.00 O ATOM 1187 CB SER A 79 -3.984 -7.324 -11.327 1.00 0.00 C ATOM 1188 OG SER A 79 -4.877 -7.754 -12.345 1.00 0.00 O ATOM 0 H SER A 79 -5.959 -6.132 -10.343 1.00 0.00 H new ATOM 0 HA SER A 79 -4.736 -8.707 -9.869 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.804 -6.253 -11.421 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.021 -7.820 -11.446 1.00 0.00 H new ATOM 0 HG SER A 79 -4.495 -7.547 -13.224 1.00 0.00 H new ATOM 1194 N ILE A 80 -2.791 -8.163 -8.312 1.00 0.00 N ATOM 1195 CA ILE A 80 -1.988 -7.958 -7.092 1.00 0.00 C ATOM 1196 C ILE A 80 -0.553 -8.527 -7.186 1.00 0.00 C ATOM 1197 O ILE A 80 -0.324 -9.460 -7.963 1.00 0.00 O ATOM 1198 CB ILE A 80 -2.734 -8.517 -5.853 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -2.970 -10.038 -5.913 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -4.042 -7.745 -5.600 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -3.495 -10.571 -4.578 1.00 0.00 C ATOM 0 H ILE A 80 -2.706 -9.101 -8.703 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.867 -6.880 -6.982 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.074 -8.358 -5.000 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.684 -10.267 -6.705 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -2.038 -10.543 -6.168 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.545 -8.158 -4.725 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.816 -6.693 -5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.693 -7.837 -6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.652 -11.647 -4.652 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -2.769 -10.363 -3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.439 -10.083 -4.337 1.00 0.00 H new ATOM 1213 N PRO A 81 0.419 -7.999 -6.407 1.00 0.00 N ATOM 1214 CA PRO A 81 0.306 -6.827 -5.533 1.00 0.00 C ATOM 1215 C PRO A 81 0.137 -5.540 -6.345 1.00 0.00 C ATOM 1216 O PRO A 81 0.787 -5.371 -7.378 1.00 0.00 O ATOM 1217 CB PRO A 81 1.606 -6.783 -4.721 1.00 0.00 C ATOM 1218 CG PRO A 81 2.617 -7.456 -5.645 1.00 0.00 C ATOM 1219 CD PRO A 81 1.775 -8.519 -6.347 1.00 0.00 C ATOM 0 HA PRO A 81 -0.571 -6.902 -4.890 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.897 -5.760 -4.482 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.508 -7.316 -3.775 1.00 0.00 H new ATOM 0 HG2 PRO A 81 3.051 -6.750 -6.353 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.444 -7.897 -5.088 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.158 -8.719 -7.348 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.805 -9.461 -5.800 1.00 0.00 H new ATOM 1227 N THR A 82 -0.702 -4.624 -5.860 1.00 0.00 N ATOM 1228 CA THR A 82 -0.799 -3.257 -6.392 1.00 0.00 C ATOM 1229 C THR A 82 -0.639 -2.260 -5.255 1.00 0.00 C ATOM 1230 O THR A 82 -1.425 -2.234 -4.311 1.00 0.00 O ATOM 1231 CB THR A 82 -2.097 -3.010 -7.175 1.00 0.00 C ATOM 1232 OG1 THR A 82 -2.051 -3.691 -8.407 1.00 0.00 O ATOM 1233 CG2 THR A 82 -2.274 -1.538 -7.554 1.00 0.00 C ATOM 0 H THR A 82 -1.338 -4.807 -5.084 1.00 0.00 H new ATOM 0 HA THR A 82 0.009 -3.121 -7.111 1.00 0.00 H new ATOM 0 HB THR A 82 -2.905 -3.347 -6.526 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.478 -4.568 -8.312 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.206 -1.414 -8.106 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.304 -0.931 -6.649 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.438 -1.220 -8.177 1.00 0.00 H new ATOM 1241 N LEU A 83 0.375 -1.412 -5.374 1.00 0.00 N ATOM 1242 CA LEU A 83 0.748 -0.389 -4.413 1.00 0.00 C ATOM 1243 C LEU A 83 0.255 0.959 -4.947 1.00 0.00 C ATOM 1244 O LEU A 83 0.595 1.335 -6.068 1.00 0.00 O ATOM 1245 CB LEU A 83 2.277 -0.379 -4.225 1.00 0.00 C ATOM 1246 CG LEU A 83 2.932 -1.625 -3.592 1.00 0.00 C ATOM 1247 CD1 LEU A 83 2.918 -2.887 -4.463 1.00 0.00 C ATOM 1248 CD2 LEU A 83 4.407 -1.311 -3.345 1.00 0.00 C ATOM 0 H LEU A 83 0.990 -1.422 -6.188 1.00 0.00 H new ATOM 0 HA LEU A 83 0.296 -0.588 -3.442 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.734 -0.220 -5.202 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.533 0.483 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 83 2.348 -1.833 -2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.401 -3.704 -3.928 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.888 -3.161 -4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.455 -2.694 -5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.893 -2.178 -2.897 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.892 -1.072 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.490 -0.459 -2.670 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.512 1.701 -4.156 1.00 0.00 N ATOM 1261 CA ILE A 84 -0.911 3.082 -4.452 1.00 0.00 C ATOM 1262 C ILE A 84 -0.368 4.019 -3.370 1.00 0.00 C ATOM 1263 O ILE A 84 -0.388 3.696 -2.182 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.439 3.197 -4.666 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -2.794 4.582 -5.251 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -3.205 2.912 -3.370 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -4.239 4.698 -5.747 1.00 0.00 C ATOM 0 H ILE A 84 -0.884 1.357 -3.271 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.468 3.395 -5.398 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.746 2.439 -5.387 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.620 5.342 -4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.118 4.799 -6.078 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.276 3.001 -3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.978 1.902 -3.028 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.907 3.630 -2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.409 5.699 -6.142 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.414 3.963 -6.533 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -4.924 4.514 -4.919 1.00 0.00 H new ATOM 1279 N LEU A 85 0.120 5.186 -3.778 1.00 0.00 N ATOM 1280 CA LEU A 85 0.602 6.234 -2.887 1.00 0.00 C ATOM 1281 C LEU A 85 -0.321 7.453 -2.978 1.00 0.00 C ATOM 1282 O LEU A 85 -0.590 7.947 -4.075 1.00 0.00 O ATOM 1283 CB LEU A 85 2.062 6.555 -3.260 1.00 0.00 C ATOM 1284 CG LEU A 85 2.769 7.506 -2.280 1.00 0.00 C ATOM 1285 CD1 LEU A 85 3.115 6.838 -0.954 1.00 0.00 C ATOM 1286 CD2 LEU A 85 4.069 8.011 -2.901 1.00 0.00 C ATOM 0 H LEU A 85 0.193 5.435 -4.764 1.00 0.00 H new ATOM 0 HA LEU A 85 0.586 5.909 -1.847 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.625 5.623 -3.314 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.082 6.997 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 85 2.073 8.322 -2.084 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.612 7.557 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.202 6.486 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.779 5.993 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.568 8.685 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.721 7.165 -3.118 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.848 8.544 -3.825 1.00 0.00 H new ATOM 1298 N PHE A 86 -0.766 7.955 -1.828 1.00 0.00 N ATOM 1299 CA PHE A 86 -1.502 9.212 -1.685 1.00 0.00 C ATOM 1300 C PHE A 86 -0.668 10.234 -0.901 1.00 0.00 C ATOM 1301 O PHE A 86 0.110 9.865 -0.017 1.00 0.00 O ATOM 1302 CB PHE A 86 -2.848 8.984 -0.976 1.00 0.00 C ATOM 1303 CG PHE A 86 -3.810 8.006 -1.627 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -3.729 6.632 -1.329 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -4.843 8.473 -2.462 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -4.685 5.740 -1.848 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -5.780 7.576 -3.005 1.00 0.00 C ATOM 1308 CZ PHE A 86 -5.707 6.208 -2.690 1.00 0.00 C ATOM 0 H PHE A 86 -0.619 7.481 -0.937 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.698 9.602 -2.684 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.643 8.636 0.036 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.352 9.947 -0.886 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.932 6.263 -0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.916 9.527 -2.687 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.633 4.691 -1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.555 7.938 -3.664 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.434 5.519 -3.094 1.00 0.00 H new ATOM 1318 N LYS A 87 -0.880 11.525 -1.175 1.00 0.00 N ATOM 1319 CA LYS A 87 -0.370 12.656 -0.386 1.00 0.00 C ATOM 1320 C LYS A 87 -1.512 13.645 -0.138 1.00 0.00 C ATOM 1321 O LYS A 87 -2.230 13.998 -1.071 1.00 0.00 O ATOM 1322 CB LYS A 87 0.855 13.262 -1.088 1.00 0.00 C ATOM 1323 CG LYS A 87 1.546 14.389 -0.306 1.00 0.00 C ATOM 1324 CD LYS A 87 3.028 14.551 -0.707 1.00 0.00 C ATOM 1325 CE LYS A 87 3.300 14.761 -2.207 1.00 0.00 C ATOM 1326 NZ LYS A 87 2.823 16.085 -2.689 1.00 0.00 N ATOM 0 H LYS A 87 -1.430 11.824 -1.980 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.021 12.336 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.580 12.469 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.547 13.648 -2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.019 15.327 -0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.481 14.181 0.762 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.441 15.399 -0.161 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.572 13.665 -0.380 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.370 14.672 -2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.810 13.972 -2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 3.028 16.180 -3.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.797 16.162 -2.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 3.309 16.841 -2.166 1.00 0.00 H new ATOM 1340 N ASP A 88 -1.736 14.023 1.122 1.00 0.00 N ATOM 1341 CA ASP A 88 -2.927 14.775 1.566 1.00 0.00 C ATOM 1342 C ASP A 88 -4.263 14.167 1.062 1.00 0.00 C ATOM 1343 O ASP A 88 -5.147 14.871 0.565 1.00 0.00 O ATOM 1344 CB ASP A 88 -2.739 16.274 1.264 1.00 0.00 C ATOM 1345 CG ASP A 88 -3.780 17.170 1.961 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -3.998 17.002 3.186 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -4.330 18.087 1.305 1.00 0.00 O ATOM 0 H ASP A 88 -1.087 13.815 1.881 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.016 14.680 2.648 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.740 16.578 1.577 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.797 16.431 0.187 1.00 0.00 H new ATOM 1352 N GLY A 89 -4.370 12.830 1.098 1.00 0.00 N ATOM 1353 CA GLY A 89 -5.532 12.051 0.644 1.00 0.00 C ATOM 1354 C GLY A 89 -5.803 12.077 -0.867 1.00 0.00 C ATOM 1355 O GLY A 89 -6.855 11.609 -1.301 1.00 0.00 O ATOM 0 H GLY A 89 -3.621 12.239 1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.394 11.015 0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.418 12.421 1.160 1.00 0.00 H new ATOM 1359 N GLN A 90 -4.886 12.618 -1.673 1.00 0.00 N ATOM 1360 CA GLN A 90 -4.992 12.723 -3.134 1.00 0.00 C ATOM 1361 C GLN A 90 -3.941 11.816 -3.801 1.00 0.00 C ATOM 1362 O GLN A 90 -2.820 11.724 -3.291 1.00 0.00 O ATOM 1363 CB GLN A 90 -4.832 14.197 -3.540 1.00 0.00 C ATOM 1364 CG GLN A 90 -6.028 15.055 -3.087 1.00 0.00 C ATOM 1365 CD GLN A 90 -5.625 16.503 -2.823 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -5.638 17.358 -3.701 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -5.244 16.831 -1.606 1.00 0.00 N ATOM 0 H GLN A 90 -4.016 13.010 -1.314 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.970 12.383 -3.473 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.915 14.595 -3.105 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.727 14.265 -4.623 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -6.804 15.028 -3.852 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.459 14.628 -2.181 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.230 16.126 -0.869 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.963 17.790 -1.401 1.00 0.00 H new ATOM 1376 N PRO A 91 -4.266 11.102 -4.896 1.00 0.00 N ATOM 1377 CA PRO A 91 -3.376 10.093 -5.470 1.00 0.00 C ATOM 1378 C PRO A 91 -2.124 10.715 -6.108 1.00 0.00 C ATOM 1379 O PRO A 91 -2.189 11.750 -6.777 1.00 0.00 O ATOM 1380 CB PRO A 91 -4.229 9.316 -6.478 1.00 0.00 C ATOM 1381 CG PRO A 91 -5.290 10.333 -6.901 1.00 0.00 C ATOM 1382 CD PRO A 91 -5.529 11.132 -5.620 1.00 0.00 C ATOM 0 HA PRO A 91 -2.980 9.429 -4.701 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.637 8.976 -7.328 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.678 8.431 -6.027 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.939 10.969 -7.714 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.201 9.845 -7.249 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.826 12.156 -5.847 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.331 10.691 -5.027 1.00 0.00 H new ATOM 1390 N VAL A 92 -0.982 10.054 -5.908 1.00 0.00 N ATOM 1391 CA VAL A 92 0.355 10.490 -6.354 1.00 0.00 C ATOM 1392 C VAL A 92 0.966 9.497 -7.348 1.00 0.00 C ATOM 1393 O VAL A 92 1.480 9.916 -8.388 1.00 0.00 O ATOM 1394 CB VAL A 92 1.282 10.708 -5.135 1.00 0.00 C ATOM 1395 CG1 VAL A 92 2.715 11.078 -5.543 1.00 0.00 C ATOM 1396 CG2 VAL A 92 0.765 11.843 -4.256 1.00 0.00 C ATOM 0 H VAL A 92 -0.956 9.163 -5.411 1.00 0.00 H new ATOM 0 HA VAL A 92 0.246 11.440 -6.877 1.00 0.00 H new ATOM 0 HB VAL A 92 1.287 9.759 -4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.323 11.220 -4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.140 10.276 -6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.701 12.001 -6.122 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.433 11.978 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.727 12.765 -4.837 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.235 11.599 -3.897 1.00 0.00 H new ATOM 1406 N LYS A 93 0.911 8.190 -7.050 1.00 0.00 N ATOM 1407 CA LYS A 93 1.542 7.125 -7.856 1.00 0.00 C ATOM 1408 C LYS A 93 0.848 5.772 -7.666 1.00 0.00 C ATOM 1409 O LYS A 93 0.348 5.494 -6.579 1.00 0.00 O ATOM 1410 CB LYS A 93 3.029 7.048 -7.458 1.00 0.00 C ATOM 1411 CG LYS A 93 3.869 6.153 -8.386 1.00 0.00 C ATOM 1412 CD LYS A 93 5.377 6.283 -8.124 1.00 0.00 C ATOM 1413 CE LYS A 93 5.888 7.685 -8.484 1.00 0.00 C ATOM 1414 NZ LYS A 93 7.348 7.795 -8.292 1.00 0.00 N ATOM 0 H LYS A 93 0.420 7.834 -6.230 1.00 0.00 H new ATOM 0 HA LYS A 93 1.445 7.367 -8.914 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.449 8.054 -7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.105 6.672 -6.438 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.569 5.114 -8.252 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.660 6.414 -9.423 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.585 6.077 -7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.915 5.537 -8.708 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.639 7.909 -9.521 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.382 8.427 -7.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.640 8.786 -8.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.597 7.474 -7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.836 7.202 -8.994 1.00 0.00 H new ATOM 1428 N ARG A 94 0.868 4.916 -8.694 1.00 0.00 N ATOM 1429 CA ARG A 94 0.496 3.489 -8.617 1.00 0.00 C ATOM 1430 C ARG A 94 1.572 2.590 -9.244 1.00 0.00 C ATOM 1431 O ARG A 94 2.132 2.924 -10.288 1.00 0.00 O ATOM 1432 CB ARG A 94 -0.896 3.275 -9.238 1.00 0.00 C ATOM 1433 CG ARG A 94 -1.476 1.892 -8.891 1.00 0.00 C ATOM 1434 CD ARG A 94 -2.878 1.687 -9.480 1.00 0.00 C ATOM 1435 NE ARG A 94 -2.868 1.619 -10.956 1.00 0.00 N ATOM 1436 CZ ARG A 94 -2.618 0.566 -11.717 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -2.308 -0.601 -11.225 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -2.674 0.670 -13.013 1.00 0.00 N ATOM 0 H ARG A 94 1.151 5.200 -9.632 1.00 0.00 H new ATOM 0 HA ARG A 94 0.438 3.195 -7.569 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.574 4.052 -8.884 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.830 3.379 -10.321 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.809 1.116 -9.266 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.519 1.779 -7.808 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.305 0.767 -9.080 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.525 2.504 -9.162 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.079 2.488 -11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -2.250 -0.730 -10.215 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -2.123 -1.385 -11.850 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.911 1.564 -13.443 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -2.481 -0.143 -13.599 1.00 0.00 H new ATOM 1452 N ILE A 95 1.850 1.458 -8.599 1.00 0.00 N ATOM 1453 CA ILE A 95 2.842 0.435 -8.974 1.00 0.00 C ATOM 1454 C ILE A 95 2.168 -0.949 -8.889 1.00 0.00 C ATOM 1455 O ILE A 95 1.370 -1.179 -7.984 1.00 0.00 O ATOM 1456 CB ILE A 95 4.083 0.522 -8.042 1.00 0.00 C ATOM 1457 CG1 ILE A 95 4.633 1.964 -7.884 1.00 0.00 C ATOM 1458 CG2 ILE A 95 5.194 -0.418 -8.539 1.00 0.00 C ATOM 1459 CD1 ILE A 95 5.771 2.103 -6.863 1.00 0.00 C ATOM 0 H ILE A 95 1.358 1.208 -7.741 1.00 0.00 H new ATOM 0 HA ILE A 95 3.192 0.600 -9.993 1.00 0.00 H new ATOM 0 HB ILE A 95 3.748 0.206 -7.054 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.988 2.312 -8.854 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.815 2.621 -7.589 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.056 -0.345 -7.876 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.827 -1.444 -8.545 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.488 -0.132 -9.549 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.094 3.143 -6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.419 1.789 -5.880 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.610 1.476 -7.165 1.00 0.00 H new ATOM 1471 N VAL A 96 2.473 -1.883 -9.795 1.00 0.00 N ATOM 1472 CA VAL A 96 1.932 -3.264 -9.786 1.00 0.00 C ATOM 1473 C VAL A 96 3.029 -4.313 -10.009 1.00 0.00 C ATOM 1474 O VAL A 96 4.033 -4.055 -10.683 1.00 0.00 O ATOM 1475 CB VAL A 96 0.719 -3.411 -10.737 1.00 0.00 C ATOM 1476 CG1 VAL A 96 1.012 -2.921 -12.162 1.00 0.00 C ATOM 1477 CG2 VAL A 96 0.158 -4.836 -10.835 1.00 0.00 C ATOM 0 H VAL A 96 3.112 -1.708 -10.571 1.00 0.00 H new ATOM 0 HA VAL A 96 1.545 -3.463 -8.787 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.033 -2.775 -10.270 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.124 -3.050 -12.781 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.286 -1.866 -12.135 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.835 -3.499 -12.583 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -0.688 -4.847 -11.522 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.933 -5.508 -11.204 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.170 -5.167 -9.849 1.00 0.00 H new ATOM 1487 N GLY A 97 2.857 -5.488 -9.399 1.00 0.00 N ATOM 1488 CA GLY A 97 3.822 -6.592 -9.388 1.00 0.00 C ATOM 1489 C GLY A 97 4.946 -6.393 -8.365 1.00 0.00 C ATOM 1490 O GLY A 97 5.189 -5.277 -7.898 1.00 0.00 O ATOM 0 H GLY A 97 2.008 -5.706 -8.878 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.299 -7.523 -9.169 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.257 -6.697 -10.382 1.00 0.00 H new ATOM 1494 N ALA A 98 5.647 -7.474 -8.014 1.00 0.00 N ATOM 1495 CA ALA A 98 6.706 -7.447 -7.001 1.00 0.00 C ATOM 1496 C ALA A 98 7.872 -6.502 -7.363 1.00 0.00 C ATOM 1497 O ALA A 98 8.156 -6.249 -8.540 1.00 0.00 O ATOM 1498 CB ALA A 98 7.197 -8.876 -6.738 1.00 0.00 C ATOM 0 H ALA A 98 5.496 -8.395 -8.425 1.00 0.00 H new ATOM 0 HA ALA A 98 6.278 -7.037 -6.086 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.985 -8.857 -5.985 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.367 -9.486 -6.380 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.588 -9.302 -7.662 1.00 0.00 H new ATOM 1504 N LYS A 99 8.537 -5.973 -6.331 1.00 0.00 N ATOM 1505 CA LYS A 99 9.702 -5.073 -6.411 1.00 0.00 C ATOM 1506 C LYS A 99 10.764 -5.483 -5.386 1.00 0.00 C ATOM 1507 O LYS A 99 10.423 -6.020 -4.332 1.00 0.00 O ATOM 1508 CB LYS A 99 9.263 -3.613 -6.156 1.00 0.00 C ATOM 1509 CG LYS A 99 8.224 -3.039 -7.132 1.00 0.00 C ATOM 1510 CD LYS A 99 8.791 -2.845 -8.546 1.00 0.00 C ATOM 1511 CE LYS A 99 7.700 -2.657 -9.607 1.00 0.00 C ATOM 1512 NZ LYS A 99 6.850 -3.867 -9.767 1.00 0.00 N ATOM 0 H LYS A 99 8.267 -6.168 -5.367 1.00 0.00 H new ATOM 0 HA LYS A 99 10.131 -5.148 -7.410 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.858 -3.548 -5.146 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.149 -2.978 -6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.364 -3.707 -7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.864 -2.082 -6.754 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.449 -1.976 -8.552 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.401 -3.709 -8.809 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.072 -1.809 -9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.164 -2.414 -10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.304 -3.794 -10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.454 -4.713 -9.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 6.197 -3.941 -8.961 1.00 0.00 H new ATOM 1526 N GLY A 100 12.032 -5.175 -5.664 1.00 0.00 N ATOM 1527 CA GLY A 100 13.088 -5.121 -4.654 1.00 0.00 C ATOM 1528 C GLY A 100 13.143 -3.732 -4.017 1.00 0.00 C ATOM 1529 O GLY A 100 12.637 -2.758 -4.586 1.00 0.00 O ATOM 0 H GLY A 100 12.357 -4.954 -6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.905 -5.873 -3.887 1.00 0.00 H new ATOM 0 HA3 GLY A 100 14.049 -5.358 -5.110 1.00 0.00 H new ATOM 1533 N LYS A 101 13.780 -3.616 -2.848 1.00 0.00 N ATOM 1534 CA LYS A 101 13.893 -2.348 -2.102 1.00 0.00 C ATOM 1535 C LYS A 101 14.508 -1.213 -2.895 1.00 0.00 C ATOM 1536 O LYS A 101 14.085 -0.077 -2.732 1.00 0.00 O ATOM 1537 CB LYS A 101 14.690 -2.572 -0.812 1.00 0.00 C ATOM 1538 CG LYS A 101 14.390 -1.464 0.213 1.00 0.00 C ATOM 1539 CD LYS A 101 15.165 -1.715 1.502 1.00 0.00 C ATOM 1540 CE LYS A 101 14.765 -0.708 2.583 1.00 0.00 C ATOM 1541 NZ LYS A 101 15.590 -0.950 3.790 1.00 0.00 N ATOM 0 H LYS A 101 14.237 -4.402 -2.385 1.00 0.00 H new ATOM 0 HA LYS A 101 12.872 -2.040 -1.877 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.439 -3.544 -0.388 1.00 0.00 H new ATOM 0 HB3 LYS A 101 15.757 -2.588 -1.036 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.662 -0.493 -0.200 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.321 -1.433 0.423 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.974 -2.729 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 101 16.235 -1.641 1.308 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.912 0.310 2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.707 -0.812 2.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 15.400 -0.209 4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 15.353 -1.879 4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 16.597 -0.931 3.532 1.00 0.00 H new ATOM 1555 N ALA A 102 15.453 -1.508 -3.777 1.00 0.00 N ATOM 1556 CA ALA A 102 16.086 -0.465 -4.581 1.00 0.00 C ATOM 1557 C ALA A 102 15.072 0.196 -5.533 1.00 0.00 C ATOM 1558 O ALA A 102 14.950 1.419 -5.551 1.00 0.00 O ATOM 1559 CB ALA A 102 17.294 -1.058 -5.315 1.00 0.00 C ATOM 0 H ALA A 102 15.798 -2.451 -3.955 1.00 0.00 H new ATOM 0 HA ALA A 102 16.447 0.333 -3.931 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.770 -0.284 -5.917 1.00 0.00 H new ATOM 0 HB2 ALA A 102 18.009 -1.443 -4.588 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.963 -1.869 -5.963 1.00 0.00 H new ATOM 1565 N ALA A 103 14.275 -0.596 -6.257 1.00 0.00 N ATOM 1566 CA ALA A 103 13.256 -0.069 -7.162 1.00 0.00 C ATOM 1567 C ALA A 103 12.059 0.536 -6.406 1.00 0.00 C ATOM 1568 O ALA A 103 11.652 1.661 -6.724 1.00 0.00 O ATOM 1569 CB ALA A 103 12.824 -1.188 -8.119 1.00 0.00 C ATOM 0 H ALA A 103 14.320 -1.615 -6.231 1.00 0.00 H new ATOM 0 HA ALA A 103 13.683 0.753 -7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.063 -0.810 -8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.686 -1.531 -8.691 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.416 -2.020 -7.545 1.00 0.00 H new ATOM 1575 N LEU A 104 11.524 -0.151 -5.379 1.00 0.00 N ATOM 1576 CA LEU A 104 10.385 0.386 -4.635 1.00 0.00 C ATOM 1577 C LEU A 104 10.784 1.660 -3.878 1.00 0.00 C ATOM 1578 O LEU A 104 10.086 2.667 -3.978 1.00 0.00 O ATOM 1579 CB LEU A 104 9.775 -0.689 -3.715 1.00 0.00 C ATOM 1580 CG LEU A 104 8.506 -0.236 -2.960 1.00 0.00 C ATOM 1581 CD1 LEU A 104 7.446 0.389 -3.871 1.00 0.00 C ATOM 1582 CD2 LEU A 104 7.856 -1.426 -2.258 1.00 0.00 C ATOM 0 H LEU A 104 11.858 -1.059 -5.056 1.00 0.00 H new ATOM 0 HA LEU A 104 9.605 0.671 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.533 -1.567 -4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.526 -0.996 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 104 8.843 0.520 -2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.582 0.684 -3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 104 7.863 1.267 -4.365 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.137 -0.338 -4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.963 -1.093 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.581 -2.179 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.560 -1.857 -1.546 1.00 0.00 H new ATOM 1594 N LEU A 105 11.939 1.673 -3.200 1.00 0.00 N ATOM 1595 CA LEU A 105 12.413 2.887 -2.541 1.00 0.00 C ATOM 1596 C LEU A 105 12.855 3.961 -3.530 1.00 0.00 C ATOM 1597 O LEU A 105 12.754 5.106 -3.146 1.00 0.00 O ATOM 1598 CB LEU A 105 13.484 2.640 -1.462 1.00 0.00 C ATOM 1599 CG LEU A 105 13.742 3.871 -0.545 1.00 0.00 C ATOM 1600 CD1 LEU A 105 12.490 4.465 0.112 1.00 0.00 C ATOM 1601 CD2 LEU A 105 14.676 3.455 0.589 1.00 0.00 C ATOM 0 H LEU A 105 12.553 0.865 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 105 11.539 3.268 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.177 1.796 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 105 14.418 2.357 -1.947 1.00 0.00 H new ATOM 0 HG LEU A 105 14.160 4.634 -1.202 1.00 0.00 H new ATOM 0 HD11 LEU A 105 12.773 5.317 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.794 4.793 -0.661 1.00 0.00 H new ATOM 0 HD13 LEU A 105 12.012 3.708 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 105 14.864 4.310 1.238 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.213 2.655 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 105 15.619 3.102 0.172 1.00 0.00 H new ATOM 1613 N ARG A 106 13.275 3.706 -4.776 1.00 0.00 N ATOM 1614 CA ARG A 106 13.456 4.803 -5.759 1.00 0.00 C ATOM 1615 C ARG A 106 12.122 5.476 -6.108 1.00 0.00 C ATOM 1616 O ARG A 106 11.969 6.701 -5.975 1.00 0.00 O ATOM 1617 CB ARG A 106 14.191 4.286 -7.011 1.00 0.00 C ATOM 1618 CG ARG A 106 15.707 4.171 -6.774 1.00 0.00 C ATOM 1619 CD ARG A 106 16.394 5.537 -6.879 1.00 0.00 C ATOM 1620 NE ARG A 106 17.726 5.525 -6.242 1.00 0.00 N ATOM 1621 CZ ARG A 106 18.336 6.552 -5.673 1.00 0.00 C ATOM 1622 NH1 ARG A 106 17.853 7.759 -5.711 1.00 0.00 N ATOM 1623 NH2 ARG A 106 19.458 6.390 -5.040 1.00 0.00 N ATOM 0 H ARG A 106 13.494 2.775 -5.130 1.00 0.00 H new ATOM 0 HA ARG A 106 14.078 5.573 -5.302 1.00 0.00 H new ATOM 0 HB2 ARG A 106 13.791 3.311 -7.291 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.003 4.960 -7.847 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.891 3.744 -5.788 1.00 0.00 H new ATOM 0 HG3 ARG A 106 16.140 3.487 -7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 106 16.494 5.815 -7.928 1.00 0.00 H new ATOM 0 HD3 ARG A 106 15.771 6.296 -6.406 1.00 0.00 H new ATOM 0 HE ARG A 106 18.226 4.636 -6.240 1.00 0.00 H new ATOM 0 HH11 ARG A 106 16.972 7.941 -6.192 1.00 0.00 H new ATOM 0 HH12 ARG A 106 18.355 8.524 -5.259 1.00 0.00 H new ATOM 0 HH21 ARG A 106 19.879 5.463 -4.977 1.00 0.00 H new ATOM 0 HH22 ARG A 106 19.919 7.190 -4.606 1.00 0.00 H new ATOM 1637 N GLU A 107 11.127 4.660 -6.459 1.00 0.00 N ATOM 1638 CA GLU A 107 9.783 5.156 -6.785 1.00 0.00 C ATOM 1639 C GLU A 107 9.093 5.860 -5.604 1.00 0.00 C ATOM 1640 O GLU A 107 8.298 6.775 -5.828 1.00 0.00 O ATOM 1641 CB GLU A 107 8.908 4.028 -7.345 1.00 0.00 C ATOM 1642 CG GLU A 107 9.338 3.582 -8.753 1.00 0.00 C ATOM 1643 CD GLU A 107 9.283 4.692 -9.828 1.00 0.00 C ATOM 1644 OE1 GLU A 107 8.573 5.712 -9.643 1.00 0.00 O ATOM 1645 OE2 GLU A 107 9.957 4.546 -10.876 1.00 0.00 O ATOM 0 H GLU A 107 11.225 3.647 -6.526 1.00 0.00 H new ATOM 0 HA GLU A 107 9.912 5.916 -7.556 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.949 3.173 -6.670 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.870 4.360 -7.375 1.00 0.00 H new ATOM 0 HG2 GLU A 107 10.356 3.195 -8.702 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.699 2.757 -9.069 1.00 0.00 H new ATOM 1652 N LEU A 108 9.437 5.502 -4.362 1.00 0.00 N ATOM 1653 CA LEU A 108 9.032 6.227 -3.152 1.00 0.00 C ATOM 1654 C LEU A 108 9.989 7.364 -2.773 1.00 0.00 C ATOM 1655 O LEU A 108 9.530 8.347 -2.207 1.00 0.00 O ATOM 1656 CB LEU A 108 8.902 5.244 -1.983 1.00 0.00 C ATOM 1657 CG LEU A 108 7.824 4.168 -2.184 1.00 0.00 C ATOM 1658 CD1 LEU A 108 7.980 3.130 -1.080 1.00 0.00 C ATOM 1659 CD2 LEU A 108 6.407 4.738 -2.151 1.00 0.00 C ATOM 0 H LEU A 108 10.015 4.685 -4.166 1.00 0.00 H new ATOM 0 HA LEU A 108 8.071 6.692 -3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.863 4.755 -1.825 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.676 5.804 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 108 7.963 3.727 -3.171 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.224 2.354 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.972 2.683 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.855 3.610 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.687 3.933 -2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.228 5.213 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.293 5.476 -2.945 1.00 0.00 H new ATOM 1671 N SER A 109 11.281 7.292 -3.101 1.00 0.00 N ATOM 1672 CA SER A 109 12.287 8.348 -2.851 1.00 0.00 C ATOM 1673 C SER A 109 11.927 9.625 -3.611 1.00 0.00 C ATOM 1674 O SER A 109 12.227 10.731 -3.166 1.00 0.00 O ATOM 1675 CB SER A 109 13.713 7.991 -3.289 1.00 0.00 C ATOM 1676 OG SER A 109 14.295 7.060 -2.410 1.00 0.00 O ATOM 0 H SER A 109 11.677 6.474 -3.563 1.00 0.00 H new ATOM 0 HA SER A 109 12.271 8.475 -1.768 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.694 7.580 -4.298 1.00 0.00 H new ATOM 0 HB3 SER A 109 14.323 8.894 -3.323 1.00 0.00 H new ATOM 0 HG SER A 109 14.134 6.152 -2.742 1.00 0.00 H new ATOM 1682 N ASP A 110 11.220 9.466 -4.737 1.00 0.00 N ATOM 1683 CA ASP A 110 10.519 10.559 -5.432 1.00 0.00 C ATOM 1684 C ASP A 110 9.619 11.431 -4.503 1.00 0.00 C ATOM 1685 O ASP A 110 9.422 12.620 -4.761 1.00 0.00 O ATOM 1686 CB ASP A 110 9.694 9.899 -6.547 1.00 0.00 C ATOM 1687 CG ASP A 110 9.120 10.862 -7.598 1.00 0.00 C ATOM 1688 OD1 ASP A 110 9.744 11.904 -7.909 1.00 0.00 O ATOM 1689 OD2 ASP A 110 8.064 10.510 -8.174 1.00 0.00 O ATOM 0 H ASP A 110 11.116 8.563 -5.199 1.00 0.00 H new ATOM 0 HA ASP A 110 11.252 11.263 -5.825 1.00 0.00 H new ATOM 0 HB2 ASP A 110 10.321 9.166 -7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 110 8.869 9.352 -6.091 1.00 0.00 H new ATOM 1694 N VAL A 111 9.120 10.864 -3.393 1.00 0.00 N ATOM 1695 CA VAL A 111 8.386 11.513 -2.284 1.00 0.00 C ATOM 1696 C VAL A 111 9.193 11.535 -0.963 1.00 0.00 C ATOM 1697 O VAL A 111 8.953 12.395 -0.115 1.00 0.00 O ATOM 1698 CB VAL A 111 7.024 10.797 -2.123 1.00 0.00 C ATOM 1699 CG1 VAL A 111 6.239 11.183 -0.863 1.00 0.00 C ATOM 1700 CG2 VAL A 111 6.133 11.122 -3.332 1.00 0.00 C ATOM 0 H VAL A 111 9.225 9.862 -3.231 1.00 0.00 H new ATOM 0 HA VAL A 111 8.224 12.562 -2.530 1.00 0.00 H new ATOM 0 HB VAL A 111 7.266 9.737 -2.044 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.299 10.631 -0.836 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.828 10.940 0.021 1.00 0.00 H new ATOM 0 HG13 VAL A 111 6.031 12.253 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.172 10.619 -3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.974 12.199 -3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 111 6.619 10.779 -4.245 1.00 0.00 H new ATOM 1710 N VAL A 112 10.174 10.639 -0.795 1.00 0.00 N ATOM 1711 CA VAL A 112 11.060 10.479 0.379 1.00 0.00 C ATOM 1712 C VAL A 112 12.512 10.863 0.022 1.00 0.00 C ATOM 1713 O VAL A 112 13.369 9.987 -0.120 1.00 0.00 O ATOM 1714 CB VAL A 112 10.940 9.051 0.987 1.00 0.00 C ATOM 1715 CG1 VAL A 112 11.658 8.993 2.342 1.00 0.00 C ATOM 1716 CG2 VAL A 112 9.476 8.657 1.238 1.00 0.00 C ATOM 0 H VAL A 112 10.389 9.957 -1.522 1.00 0.00 H new ATOM 0 HA VAL A 112 10.735 11.168 1.159 1.00 0.00 H new ATOM 0 HB VAL A 112 11.388 8.366 0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.568 7.990 2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.712 9.236 2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 112 11.205 9.712 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 112 9.437 7.654 1.662 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.023 9.363 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.928 8.674 0.296 1.00 0.00 H new