USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=24 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 37 CYS SG : rot 150:sc= 0.502 USER MOD Set 1.2: A 40 CYS SG : rot 78:sc= -0.0114 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -173:sc= 1.46 (180deg=0.467) USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0.762 USER MOD Set 3.1: A 13 THR OG1 : rot -42:sc= 0.0892 USER MOD Set 3.2: A 16 SER OG : rot 180:sc= 0.436 USER MOD Single : A 9 THR OG1 : rot -28:sc= 0.0963 USER MOD Single : A 11 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.18) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -161:sc= 0.747 USER MOD Single : A 24 SER OG : rot -96:sc= 1.13 USER MOD Single : A 25 ASN : amide:sc= -0.0293 K(o=-0.029,f=-0.75) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0024 USER MOD Single : A 41 LYS NZ :NH3+ 178:sc= 0.916 (180deg=0.912) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 71:sc= 1.05 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -161:sc= 1.32 (180deg=1.2) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.55 K(o=0.55,f=-3.7!) USER MOD Single : A 71 THR OG1 : rot -160:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.0788 X(o=0.079,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 115:sc= 1.21 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.537 K(o=0.54,f=-0.15) USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 3.18 (180deg=3.06) USER MOD Single : A 99 LYS NZ :NH3+ 176:sc= 0.858 (180deg=0.849) USER MOD Single : A 101 LYS NZ :NH3+ -167:sc= 2.46 (180deg=2.13) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N THR A 9 3.034 -0.033 10.509 1.00 0.00 N ATOM 115 CA THR A 9 1.988 -0.589 9.634 1.00 0.00 C ATOM 116 C THR A 9 0.577 -0.369 10.194 1.00 0.00 C ATOM 117 O THR A 9 0.373 -0.326 11.412 1.00 0.00 O ATOM 118 CB THR A 9 2.191 -2.088 9.356 1.00 0.00 C ATOM 119 OG1 THR A 9 2.304 -2.812 10.563 1.00 0.00 O ATOM 120 CG2 THR A 9 3.447 -2.361 8.529 1.00 0.00 C ATOM 0 HA THR A 9 2.082 -0.042 8.696 1.00 0.00 H new ATOM 0 HB THR A 9 1.315 -2.410 8.793 1.00 0.00 H new ATOM 0 HG1 THR A 9 2.673 -2.230 11.260 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.545 -3.433 8.360 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.370 -1.848 7.570 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.323 -1.997 9.066 1.00 0.00 H new ATOM 128 N ILE A 10 -0.413 -0.280 9.299 1.00 0.00 N ATOM 129 CA ILE A 10 -1.856 -0.281 9.608 1.00 0.00 C ATOM 130 C ILE A 10 -2.627 -1.209 8.651 1.00 0.00 C ATOM 131 O ILE A 10 -2.154 -1.518 7.555 1.00 0.00 O ATOM 132 CB ILE A 10 -2.456 1.151 9.615 1.00 0.00 C ATOM 133 CG1 ILE A 10 -2.397 1.831 8.229 1.00 0.00 C ATOM 134 CG2 ILE A 10 -1.793 2.019 10.699 1.00 0.00 C ATOM 135 CD1 ILE A 10 -3.132 3.176 8.161 1.00 0.00 C ATOM 0 H ILE A 10 -0.229 -0.202 8.299 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.967 -0.673 10.619 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.514 1.050 9.859 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.353 1.985 7.956 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.825 1.157 7.487 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.230 3.017 10.684 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.956 1.567 11.677 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.723 2.089 10.505 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.044 3.588 7.156 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.185 3.028 8.401 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.690 3.869 8.877 1.00 0.00 H new ATOM 147 N LYS A 11 -3.835 -1.632 9.039 1.00 0.00 N ATOM 148 CA LYS A 11 -4.791 -2.320 8.150 1.00 0.00 C ATOM 149 C LYS A 11 -5.964 -1.399 7.805 1.00 0.00 C ATOM 150 O LYS A 11 -6.465 -0.687 8.678 1.00 0.00 O ATOM 151 CB LYS A 11 -5.267 -3.648 8.761 1.00 0.00 C ATOM 152 CG LYS A 11 -4.102 -4.617 9.037 1.00 0.00 C ATOM 153 CD LYS A 11 -4.582 -6.019 9.452 1.00 0.00 C ATOM 154 CE LYS A 11 -5.228 -6.816 8.306 1.00 0.00 C ATOM 155 NZ LYS A 11 -4.234 -7.215 7.279 1.00 0.00 N ATOM 0 H LYS A 11 -4.185 -1.507 9.989 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.277 -2.565 7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.798 -3.447 9.692 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.978 -4.122 8.085 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.483 -4.699 8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -3.471 -4.205 9.825 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.735 -6.583 9.842 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.301 -5.921 10.265 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.710 -7.706 8.710 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.009 -6.214 7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -4.725 -7.645 6.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.709 -6.376 6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.571 -7.904 7.687 1.00 0.00 H new ATOM 169 N VAL A 12 -6.402 -1.421 6.546 1.00 0.00 N ATOM 170 CA VAL A 12 -7.533 -0.621 6.028 1.00 0.00 C ATOM 171 C VAL A 12 -8.472 -1.485 5.182 1.00 0.00 C ATOM 172 O VAL A 12 -8.038 -2.465 4.582 1.00 0.00 O ATOM 173 CB VAL A 12 -7.063 0.623 5.242 1.00 0.00 C ATOM 174 CG1 VAL A 12 -6.261 1.577 6.136 1.00 0.00 C ATOM 175 CG2 VAL A 12 -6.217 0.290 4.007 1.00 0.00 C ATOM 0 H VAL A 12 -5.974 -2.009 5.831 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.087 -0.256 6.893 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.981 1.100 4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.945 2.442 5.553 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.884 1.907 6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.383 1.060 6.524 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.924 1.213 3.507 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.325 -0.255 4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.800 -0.325 3.321 1.00 0.00 H new ATOM 185 N THR A 13 -9.761 -1.140 5.147 1.00 0.00 N ATOM 186 CA THR A 13 -10.830 -1.861 4.422 1.00 0.00 C ATOM 187 C THR A 13 -11.817 -0.883 3.781 1.00 0.00 C ATOM 188 O THR A 13 -11.771 0.316 4.054 1.00 0.00 O ATOM 189 CB THR A 13 -11.615 -2.798 5.361 1.00 0.00 C ATOM 190 OG1 THR A 13 -12.314 -2.058 6.341 1.00 0.00 O ATOM 191 CG2 THR A 13 -10.749 -3.839 6.071 1.00 0.00 C ATOM 0 H THR A 13 -10.111 -0.319 5.640 1.00 0.00 H new ATOM 0 HA THR A 13 -10.339 -2.451 3.648 1.00 0.00 H new ATOM 0 HB THR A 13 -12.305 -3.333 4.709 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.743 -1.335 6.674 1.00 0.00 H new ATOM 0 HG21 THR A 13 -11.376 -4.458 6.712 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.255 -4.468 5.330 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.997 -3.334 6.677 1.00 0.00 H new ATOM 199 N ASP A 14 -12.776 -1.370 2.992 1.00 0.00 N ATOM 200 CA ASP A 14 -13.884 -0.562 2.454 1.00 0.00 C ATOM 201 C ASP A 14 -14.661 0.227 3.539 1.00 0.00 C ATOM 202 O ASP A 14 -15.216 1.291 3.255 1.00 0.00 O ATOM 203 CB ASP A 14 -14.814 -1.498 1.672 1.00 0.00 C ATOM 204 CG ASP A 14 -15.978 -0.745 1.005 1.00 0.00 C ATOM 205 OD1 ASP A 14 -15.734 0.009 0.033 1.00 0.00 O ATOM 206 OD2 ASP A 14 -17.141 -0.928 1.437 1.00 0.00 O ATOM 0 H ASP A 14 -12.810 -2.347 2.702 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.466 0.203 1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.239 -2.022 0.909 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.214 -2.255 2.346 1.00 0.00 H new ATOM 211 N ALA A 15 -14.663 -0.254 4.790 1.00 0.00 N ATOM 212 CA ALA A 15 -15.292 0.401 5.940 1.00 0.00 C ATOM 213 C ALA A 15 -14.421 1.481 6.634 1.00 0.00 C ATOM 214 O ALA A 15 -14.948 2.238 7.456 1.00 0.00 O ATOM 215 CB ALA A 15 -15.717 -0.697 6.923 1.00 0.00 C ATOM 0 H ALA A 15 -14.213 -1.136 5.034 1.00 0.00 H new ATOM 0 HA ALA A 15 -16.151 0.963 5.575 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.190 -0.243 7.793 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.423 -1.369 6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -14.840 -1.261 7.240 1.00 0.00 H new ATOM 221 N SER A 16 -13.113 1.561 6.347 1.00 0.00 N ATOM 222 CA SER A 16 -12.142 2.397 7.090 1.00 0.00 C ATOM 223 C SER A 16 -11.130 3.177 6.234 1.00 0.00 C ATOM 224 O SER A 16 -10.487 4.099 6.739 1.00 0.00 O ATOM 225 CB SER A 16 -11.391 1.521 8.101 1.00 0.00 C ATOM 226 OG SER A 16 -10.688 0.464 7.462 1.00 0.00 O ATOM 0 H SER A 16 -12.687 1.040 5.580 1.00 0.00 H new ATOM 0 HA SER A 16 -12.743 3.165 7.578 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.689 2.136 8.665 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.099 1.106 8.819 1.00 0.00 H new ATOM 0 HG SER A 16 -10.220 -0.072 8.136 1.00 0.00 H new ATOM 232 N PHE A 17 -11.005 2.876 4.938 1.00 0.00 N ATOM 233 CA PHE A 17 -10.016 3.456 4.022 1.00 0.00 C ATOM 234 C PHE A 17 -10.085 4.988 3.964 1.00 0.00 C ATOM 235 O PHE A 17 -9.052 5.655 4.013 1.00 0.00 O ATOM 236 CB PHE A 17 -10.240 2.830 2.637 1.00 0.00 C ATOM 237 CG PHE A 17 -9.305 3.297 1.539 1.00 0.00 C ATOM 238 CD1 PHE A 17 -9.596 4.466 0.808 1.00 0.00 C ATOM 239 CD2 PHE A 17 -8.177 2.525 1.202 1.00 0.00 C ATOM 240 CE1 PHE A 17 -8.762 4.858 -0.251 1.00 0.00 C ATOM 241 CE2 PHE A 17 -7.363 2.902 0.121 1.00 0.00 C ATOM 242 CZ PHE A 17 -7.655 4.069 -0.601 1.00 0.00 C ATOM 0 H PHE A 17 -11.612 2.196 4.480 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.014 3.229 4.387 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -10.148 1.748 2.730 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -11.264 3.037 2.328 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -10.461 5.061 1.063 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.937 1.642 1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -8.972 5.766 -0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.514 2.294 -0.154 1.00 0.00 H new ATOM 0 HZ PHE A 17 -7.026 4.361 -1.429 1.00 0.00 H new ATOM 252 N ALA A 18 -11.284 5.574 3.929 1.00 0.00 N ATOM 253 CA ALA A 18 -11.433 7.028 3.882 1.00 0.00 C ATOM 254 C ALA A 18 -10.926 7.726 5.164 1.00 0.00 C ATOM 255 O ALA A 18 -10.356 8.814 5.097 1.00 0.00 O ATOM 256 CB ALA A 18 -12.897 7.360 3.584 1.00 0.00 C ATOM 0 H ALA A 18 -12.166 5.062 3.932 1.00 0.00 H new ATOM 0 HA ALA A 18 -10.802 7.418 3.083 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -13.024 8.442 3.546 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -13.180 6.927 2.625 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -13.531 6.948 4.369 1.00 0.00 H new ATOM 262 N THR A 19 -11.092 7.085 6.324 1.00 0.00 N ATOM 263 CA THR A 19 -10.692 7.594 7.650 1.00 0.00 C ATOM 264 C THR A 19 -9.193 7.433 7.949 1.00 0.00 C ATOM 265 O THR A 19 -8.687 8.059 8.880 1.00 0.00 O ATOM 266 CB THR A 19 -11.512 6.897 8.759 1.00 0.00 C ATOM 267 OG1 THR A 19 -12.837 6.632 8.330 1.00 0.00 O ATOM 268 CG2 THR A 19 -11.641 7.736 10.033 1.00 0.00 C ATOM 0 H THR A 19 -11.524 6.162 6.373 1.00 0.00 H new ATOM 0 HA THR A 19 -10.898 8.664 7.634 1.00 0.00 H new ATOM 0 HB THR A 19 -10.961 5.981 8.971 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.332 6.189 9.051 1.00 0.00 H new ATOM 0 HG21 THR A 19 -12.228 7.189 10.771 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.649 7.940 10.437 1.00 0.00 H new ATOM 0 HG23 THR A 19 -12.138 8.678 9.800 1.00 0.00 H new ATOM 276 N ASP A 20 -8.464 6.623 7.171 1.00 0.00 N ATOM 277 CA ASP A 20 -7.031 6.340 7.376 1.00 0.00 C ATOM 278 C ASP A 20 -6.123 6.768 6.203 1.00 0.00 C ATOM 279 O ASP A 20 -4.968 7.140 6.427 1.00 0.00 O ATOM 280 CB ASP A 20 -6.854 4.850 7.696 1.00 0.00 C ATOM 281 CG ASP A 20 -7.195 4.545 9.166 1.00 0.00 C ATOM 282 OD1 ASP A 20 -6.384 4.900 10.056 1.00 0.00 O ATOM 283 OD2 ASP A 20 -8.259 3.943 9.443 1.00 0.00 O ATOM 0 H ASP A 20 -8.857 6.135 6.366 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.704 6.952 8.217 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.494 4.258 7.042 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.826 4.552 7.490 1.00 0.00 H new ATOM 288 N VAL A 21 -6.620 6.711 4.963 1.00 0.00 N ATOM 289 CA VAL A 21 -5.866 7.014 3.730 1.00 0.00 C ATOM 290 C VAL A 21 -6.241 8.386 3.168 1.00 0.00 C ATOM 291 O VAL A 21 -5.370 9.228 2.942 1.00 0.00 O ATOM 292 CB VAL A 21 -6.073 5.910 2.669 1.00 0.00 C ATOM 293 CG1 VAL A 21 -5.139 6.104 1.470 1.00 0.00 C ATOM 294 CG2 VAL A 21 -5.823 4.509 3.250 1.00 0.00 C ATOM 0 H VAL A 21 -7.587 6.445 4.778 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.808 7.041 3.991 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.111 5.991 2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.311 5.310 0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.338 7.070 1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.103 6.070 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.979 3.760 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.798 4.445 3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.515 4.328 4.073 1.00 0.00 H new ATOM 304 N LEU A 22 -7.539 8.650 2.979 1.00 0.00 N ATOM 305 CA LEU A 22 -8.037 9.926 2.435 1.00 0.00 C ATOM 306 C LEU A 22 -8.059 11.061 3.478 1.00 0.00 C ATOM 307 O LEU A 22 -8.172 12.235 3.121 1.00 0.00 O ATOM 308 CB LEU A 22 -9.407 9.728 1.761 1.00 0.00 C ATOM 309 CG LEU A 22 -9.460 8.607 0.704 1.00 0.00 C ATOM 310 CD1 LEU A 22 -10.872 8.502 0.128 1.00 0.00 C ATOM 311 CD2 LEU A 22 -8.491 8.830 -0.457 1.00 0.00 C ATOM 0 H LEU A 22 -8.280 7.984 3.199 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.328 10.249 1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -10.147 9.514 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.701 10.665 1.289 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.169 7.691 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.902 7.708 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -11.576 8.275 0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.146 9.448 -0.338 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.577 8.007 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.733 9.767 -0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.471 8.875 -0.076 1.00 0.00 H new ATOM 323 N SER A 23 -7.910 10.721 4.760 1.00 0.00 N ATOM 324 CA SER A 23 -7.784 11.646 5.894 1.00 0.00 C ATOM 325 C SER A 23 -6.393 12.302 6.017 1.00 0.00 C ATOM 326 O SER A 23 -6.207 13.213 6.829 1.00 0.00 O ATOM 327 CB SER A 23 -8.083 10.879 7.183 1.00 0.00 C ATOM 328 OG SER A 23 -7.135 9.839 7.353 1.00 0.00 O ATOM 0 H SER A 23 -7.872 9.745 5.053 1.00 0.00 H new ATOM 0 HA SER A 23 -8.494 12.455 5.722 1.00 0.00 H new ATOM 0 HB2 SER A 23 -8.050 11.557 8.036 1.00 0.00 H new ATOM 0 HB3 SER A 23 -9.090 10.463 7.145 1.00 0.00 H new ATOM 0 HG SER A 23 -7.485 9.178 7.987 1.00 0.00 H new ATOM 334 N SER A 24 -5.400 11.818 5.259 1.00 0.00 N ATOM 335 CA SER A 24 -3.974 12.070 5.463 1.00 0.00 C ATOM 336 C SER A 24 -3.516 13.520 5.231 1.00 0.00 C ATOM 337 O SER A 24 -4.045 14.241 4.382 1.00 0.00 O ATOM 338 CB SER A 24 -3.177 11.095 4.585 1.00 0.00 C ATOM 339 OG SER A 24 -3.480 11.238 3.207 1.00 0.00 O ATOM 0 H SER A 24 -5.579 11.216 4.455 1.00 0.00 H new ATOM 0 HA SER A 24 -3.780 11.904 6.523 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.111 11.260 4.739 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.390 10.072 4.897 1.00 0.00 H new ATOM 0 HG SER A 24 -4.154 10.575 2.950 1.00 0.00 H new ATOM 345 N ASN A 25 -2.478 13.926 5.975 1.00 0.00 N ATOM 346 CA ASN A 25 -1.737 15.194 5.827 1.00 0.00 C ATOM 347 C ASN A 25 -0.239 14.959 5.478 1.00 0.00 C ATOM 348 O ASN A 25 0.612 15.839 5.626 1.00 0.00 O ATOM 349 CB ASN A 25 -1.953 16.023 7.110 1.00 0.00 C ATOM 350 CG ASN A 25 -1.556 17.491 6.983 1.00 0.00 C ATOM 351 OD1 ASN A 25 -1.525 18.082 5.911 1.00 0.00 O ATOM 352 ND2 ASN A 25 -1.282 18.146 8.090 1.00 0.00 N ATOM 0 H ASN A 25 -2.111 13.353 6.735 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.121 15.761 4.979 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.004 15.966 7.393 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.380 15.573 7.920 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -1.046 19.138 8.051 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.305 17.662 8.988 1.00 0.00 H new ATOM 359 N LYS A 26 0.078 13.730 5.050 1.00 0.00 N ATOM 360 CA LYS A 26 1.387 13.191 4.637 1.00 0.00 C ATOM 361 C LYS A 26 1.176 12.225 3.454 1.00 0.00 C ATOM 362 O LYS A 26 0.034 11.800 3.250 1.00 0.00 O ATOM 363 CB LYS A 26 2.057 12.492 5.845 1.00 0.00 C ATOM 364 CG LYS A 26 1.282 11.257 6.348 1.00 0.00 C ATOM 365 CD LYS A 26 1.859 10.619 7.621 1.00 0.00 C ATOM 366 CE LYS A 26 3.244 9.986 7.420 1.00 0.00 C ATOM 367 NZ LYS A 26 3.575 9.076 8.550 1.00 0.00 N ATOM 0 H LYS A 26 -0.646 13.015 4.976 1.00 0.00 H new ATOM 0 HA LYS A 26 2.051 13.990 4.308 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.066 12.189 5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 26 2.154 13.208 6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.248 11.545 6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.264 10.507 5.557 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.926 11.379 8.400 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.169 9.855 7.979 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.263 9.431 6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.999 10.768 7.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.559 8.751 8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.462 9.585 9.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.936 8.255 8.533 1.00 0.00 H new ATOM 381 N PRO A 27 2.206 11.836 2.683 1.00 0.00 N ATOM 382 CA PRO A 27 2.060 10.720 1.756 1.00 0.00 C ATOM 383 C PRO A 27 1.832 9.394 2.509 1.00 0.00 C ATOM 384 O PRO A 27 2.446 9.138 3.544 1.00 0.00 O ATOM 385 CB PRO A 27 3.304 10.736 0.866 1.00 0.00 C ATOM 386 CG PRO A 27 4.347 11.504 1.682 1.00 0.00 C ATOM 387 CD PRO A 27 3.539 12.414 2.611 1.00 0.00 C ATOM 0 HA PRO A 27 1.174 10.817 1.128 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.643 9.725 0.639 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.105 11.227 -0.087 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.981 10.824 2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.004 12.085 1.035 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.995 12.466 3.600 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.502 13.432 2.224 1.00 0.00 H new ATOM 395 N VAL A 28 0.923 8.553 2.013 1.00 0.00 N ATOM 396 CA VAL A 28 0.512 7.278 2.599 1.00 0.00 C ATOM 397 C VAL A 28 0.400 6.201 1.517 1.00 0.00 C ATOM 398 O VAL A 28 -0.087 6.460 0.415 1.00 0.00 O ATOM 399 CB VAL A 28 -0.810 7.432 3.366 1.00 0.00 C ATOM 400 CG1 VAL A 28 -0.641 8.288 4.627 1.00 0.00 C ATOM 401 CG2 VAL A 28 -1.964 8.017 2.545 1.00 0.00 C ATOM 0 H VAL A 28 0.427 8.755 1.145 1.00 0.00 H new ATOM 0 HA VAL A 28 1.276 6.964 3.311 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.076 6.407 3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.599 8.372 5.140 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.086 7.819 5.290 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.290 9.282 4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.855 8.088 3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.690 9.010 2.189 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.169 7.369 1.693 1.00 0.00 H new ATOM 411 N LEU A 29 0.869 4.991 1.823 1.00 0.00 N ATOM 412 CA LEU A 29 1.097 3.912 0.855 1.00 0.00 C ATOM 413 C LEU A 29 0.215 2.708 1.208 1.00 0.00 C ATOM 414 O LEU A 29 0.411 2.105 2.259 1.00 0.00 O ATOM 415 CB LEU A 29 2.602 3.574 0.906 1.00 0.00 C ATOM 416 CG LEU A 29 3.181 2.793 -0.288 1.00 0.00 C ATOM 417 CD1 LEU A 29 4.605 2.369 0.066 1.00 0.00 C ATOM 418 CD2 LEU A 29 2.412 1.527 -0.672 1.00 0.00 C ATOM 0 H LEU A 29 1.108 4.725 2.778 1.00 0.00 H new ATOM 0 HA LEU A 29 0.828 4.207 -0.159 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.156 4.508 1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.790 2.997 1.812 1.00 0.00 H new ATOM 0 HG LEU A 29 3.120 3.468 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.037 1.813 -0.766 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.210 3.254 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.586 1.737 0.954 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.899 1.050 -1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.400 0.838 0.173 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.389 1.790 -0.940 1.00 0.00 H new ATOM 430 N VAL A 30 -0.733 2.341 0.344 1.00 0.00 N ATOM 431 CA VAL A 30 -1.641 1.200 0.553 1.00 0.00 C ATOM 432 C VAL A 30 -1.289 0.044 -0.381 1.00 0.00 C ATOM 433 O VAL A 30 -1.217 0.218 -1.595 1.00 0.00 O ATOM 434 CB VAL A 30 -3.123 1.582 0.382 1.00 0.00 C ATOM 435 CG1 VAL A 30 -4.011 0.517 1.042 1.00 0.00 C ATOM 436 CG2 VAL A 30 -3.473 2.944 0.991 1.00 0.00 C ATOM 0 H VAL A 30 -0.898 2.832 -0.535 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.503 0.882 1.586 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.301 1.642 -0.692 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.059 0.790 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.830 -0.450 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -3.775 0.453 2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.532 3.151 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.259 2.930 2.060 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.877 3.721 0.512 1.00 0.00 H new ATOM 446 N ASP A 31 -1.094 -1.146 0.180 1.00 0.00 N ATOM 447 CA ASP A 31 -0.805 -2.388 -0.539 1.00 0.00 C ATOM 448 C ASP A 31 -2.020 -3.335 -0.540 1.00 0.00 C ATOM 449 O ASP A 31 -2.427 -3.872 0.495 1.00 0.00 O ATOM 450 CB ASP A 31 0.475 -2.997 0.048 1.00 0.00 C ATOM 451 CG ASP A 31 0.667 -4.475 -0.314 1.00 0.00 C ATOM 452 OD1 ASP A 31 0.610 -4.813 -1.518 1.00 0.00 O ATOM 453 OD2 ASP A 31 0.884 -5.283 0.622 1.00 0.00 O ATOM 0 H ASP A 31 -1.134 -1.279 1.190 1.00 0.00 H new ATOM 0 HA ASP A 31 -0.621 -2.190 -1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.335 -2.429 -0.307 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.452 -2.896 1.133 1.00 0.00 H new ATOM 458 N PHE A 32 -2.605 -3.528 -1.724 1.00 0.00 N ATOM 459 CA PHE A 32 -3.675 -4.483 -2.006 1.00 0.00 C ATOM 460 C PHE A 32 -3.046 -5.860 -2.285 1.00 0.00 C ATOM 461 O PHE A 32 -2.402 -6.055 -3.323 1.00 0.00 O ATOM 462 CB PHE A 32 -4.505 -3.981 -3.207 1.00 0.00 C ATOM 463 CG PHE A 32 -5.138 -2.595 -3.124 1.00 0.00 C ATOM 464 CD1 PHE A 32 -5.389 -1.962 -1.889 1.00 0.00 C ATOM 465 CD2 PHE A 32 -5.520 -1.941 -4.314 1.00 0.00 C ATOM 466 CE1 PHE A 32 -6.040 -0.717 -1.839 1.00 0.00 C ATOM 467 CE2 PHE A 32 -6.155 -0.686 -4.265 1.00 0.00 C ATOM 468 CZ PHE A 32 -6.429 -0.079 -3.028 1.00 0.00 C ATOM 0 H PHE A 32 -2.331 -2.997 -2.551 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.347 -4.577 -1.153 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.861 -4.000 -4.086 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.304 -4.701 -3.382 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.078 -2.439 -0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -5.324 -2.406 -5.269 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.241 -0.251 -0.886 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.433 -0.188 -5.182 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.936 0.874 -2.992 1.00 0.00 H new ATOM 478 N TRP A 33 -3.210 -6.802 -1.351 1.00 0.00 N ATOM 479 CA TRP A 33 -2.441 -8.056 -1.292 1.00 0.00 C ATOM 480 C TRP A 33 -3.314 -9.287 -0.995 1.00 0.00 C ATOM 481 O TRP A 33 -4.440 -9.153 -0.509 1.00 0.00 O ATOM 482 CB TRP A 33 -1.332 -7.909 -0.235 1.00 0.00 C ATOM 483 CG TRP A 33 -1.759 -8.217 1.168 1.00 0.00 C ATOM 484 CD1 TRP A 33 -2.522 -7.425 1.951 1.00 0.00 C ATOM 485 CD2 TRP A 33 -1.555 -9.451 1.923 1.00 0.00 C ATOM 486 NE1 TRP A 33 -2.850 -8.099 3.111 1.00 0.00 N ATOM 487 CE2 TRP A 33 -2.277 -9.352 3.148 1.00 0.00 C ATOM 488 CE3 TRP A 33 -0.860 -10.656 1.684 1.00 0.00 C ATOM 489 CZ2 TRP A 33 -2.325 -10.401 4.077 1.00 0.00 C ATOM 490 CZ3 TRP A 33 -0.889 -11.710 2.616 1.00 0.00 C ATOM 491 CH2 TRP A 33 -1.632 -11.590 3.802 1.00 0.00 C ATOM 0 H TRP A 33 -3.893 -6.716 -0.599 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.008 -8.228 -2.277 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -0.505 -8.568 -0.502 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -0.950 -6.889 -0.268 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -2.829 -6.419 1.708 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.442 -7.717 3.848 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -0.296 -10.771 0.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.888 -10.295 4.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.337 -12.617 2.418 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -1.670 -12.412 4.502 1.00 0.00 H new ATOM 502 N ALA A 34 -2.790 -10.494 -1.244 1.00 0.00 N ATOM 503 CA ALA A 34 -3.498 -11.751 -0.985 1.00 0.00 C ATOM 504 C ALA A 34 -2.646 -12.833 -0.301 1.00 0.00 C ATOM 505 O ALA A 34 -1.453 -13.008 -0.576 1.00 0.00 O ATOM 506 CB ALA A 34 -4.104 -12.254 -2.300 1.00 0.00 C ATOM 0 H ALA A 34 -1.856 -10.625 -1.633 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.285 -11.537 -0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.634 -13.190 -2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.800 -11.510 -2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.309 -12.420 -3.027 1.00 0.00 H new ATOM 512 N THR A 35 -3.309 -13.618 0.550 1.00 0.00 N ATOM 513 CA THR A 35 -2.743 -14.731 1.335 1.00 0.00 C ATOM 514 C THR A 35 -2.133 -15.831 0.467 1.00 0.00 C ATOM 515 O THR A 35 -1.132 -16.433 0.856 1.00 0.00 O ATOM 516 CB THR A 35 -3.834 -15.355 2.223 1.00 0.00 C ATOM 517 OG1 THR A 35 -4.975 -15.643 1.442 1.00 0.00 O ATOM 518 CG2 THR A 35 -4.267 -14.411 3.345 1.00 0.00 C ATOM 0 H THR A 35 -4.306 -13.493 0.723 1.00 0.00 H new ATOM 0 HA THR A 35 -1.943 -14.303 1.939 1.00 0.00 H new ATOM 0 HB THR A 35 -3.412 -16.260 2.661 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.668 -16.042 2.009 1.00 0.00 H new ATOM 0 HG21 THR A 35 -5.038 -14.891 3.947 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.409 -14.176 3.974 1.00 0.00 H new ATOM 0 HG23 THR A 35 -4.663 -13.492 2.914 1.00 0.00 H new ATOM 526 N TRP A 36 -2.648 -16.042 -0.746 1.00 0.00 N ATOM 527 CA TRP A 36 -2.166 -17.055 -1.695 1.00 0.00 C ATOM 528 C TRP A 36 -1.009 -16.587 -2.603 1.00 0.00 C ATOM 529 O TRP A 36 -0.385 -17.413 -3.273 1.00 0.00 O ATOM 530 CB TRP A 36 -3.366 -17.549 -2.517 1.00 0.00 C ATOM 531 CG TRP A 36 -4.120 -16.499 -3.285 1.00 0.00 C ATOM 532 CD1 TRP A 36 -5.275 -15.914 -2.887 1.00 0.00 C ATOM 533 CD2 TRP A 36 -3.802 -15.905 -4.585 1.00 0.00 C ATOM 534 NE1 TRP A 36 -5.698 -15.018 -3.847 1.00 0.00 N ATOM 535 CE2 TRP A 36 -4.822 -14.960 -4.909 1.00 0.00 C ATOM 536 CE3 TRP A 36 -2.763 -16.068 -5.529 1.00 0.00 C ATOM 537 CZ2 TRP A 36 -4.811 -14.214 -6.096 1.00 0.00 C ATOM 538 CZ3 TRP A 36 -2.731 -15.312 -6.718 1.00 0.00 C ATOM 539 CH2 TRP A 36 -3.750 -14.384 -7.002 1.00 0.00 C ATOM 0 H TRP A 36 -3.433 -15.500 -1.108 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.730 -17.869 -1.116 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.012 -18.302 -3.222 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -4.062 -18.047 -1.842 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.787 -16.118 -1.958 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.553 -14.467 -3.779 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.979 -16.785 -5.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -5.608 -13.517 -6.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.918 -15.446 -7.416 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.717 -13.805 -7.913 1.00 0.00 H new ATOM 550 N CYS A 37 -0.709 -15.284 -2.651 1.00 0.00 N ATOM 551 CA CYS A 37 0.131 -14.687 -3.697 1.00 0.00 C ATOM 552 C CYS A 37 1.638 -14.651 -3.346 1.00 0.00 C ATOM 553 O CYS A 37 2.070 -13.998 -2.384 1.00 0.00 O ATOM 554 CB CYS A 37 -0.469 -13.315 -4.029 1.00 0.00 C ATOM 555 SG CYS A 37 0.426 -12.514 -5.389 1.00 0.00 S ATOM 0 H CYS A 37 -1.044 -14.610 -1.962 1.00 0.00 H new ATOM 0 HA CYS A 37 0.118 -15.316 -4.587 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -1.518 -13.431 -4.300 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -0.437 -12.678 -3.145 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.389 -11.751 -6.055 1.00 0.00 H new ATOM 561 N GLY A 38 2.453 -15.326 -4.164 1.00 0.00 N ATOM 562 CA GLY A 38 3.920 -15.354 -4.055 1.00 0.00 C ATOM 563 C GLY A 38 4.569 -13.974 -4.230 1.00 0.00 C ATOM 564 O GLY A 38 5.319 -13.554 -3.350 1.00 0.00 O ATOM 0 H GLY A 38 2.103 -15.884 -4.943 1.00 0.00 H new ATOM 0 HA2 GLY A 38 4.197 -15.757 -3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.320 -16.034 -4.807 1.00 0.00 H new ATOM 568 N PRO A 39 4.227 -13.200 -5.278 1.00 0.00 N ATOM 569 CA PRO A 39 4.638 -11.800 -5.401 1.00 0.00 C ATOM 570 C PRO A 39 4.200 -10.900 -4.232 1.00 0.00 C ATOM 571 O PRO A 39 4.936 -9.978 -3.876 1.00 0.00 O ATOM 572 CB PRO A 39 4.069 -11.333 -6.740 1.00 0.00 C ATOM 573 CG PRO A 39 4.061 -12.614 -7.573 1.00 0.00 C ATOM 574 CD PRO A 39 3.688 -13.678 -6.544 1.00 0.00 C ATOM 0 HA PRO A 39 5.725 -11.724 -5.363 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.068 -10.916 -6.630 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.688 -10.560 -7.194 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.336 -12.564 -8.386 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.034 -12.810 -8.025 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.607 -13.807 -6.487 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.111 -14.647 -6.810 1.00 0.00 H new ATOM 582 N CYS A 40 3.077 -11.186 -3.555 1.00 0.00 N ATOM 583 CA CYS A 40 2.766 -10.520 -2.281 1.00 0.00 C ATOM 584 C CYS A 40 3.790 -10.887 -1.199 1.00 0.00 C ATOM 585 O CYS A 40 4.298 -9.987 -0.530 1.00 0.00 O ATOM 586 CB CYS A 40 1.341 -10.817 -1.804 1.00 0.00 C ATOM 587 SG CYS A 40 0.138 -10.021 -2.896 1.00 0.00 S ATOM 0 H CYS A 40 2.379 -11.863 -3.862 1.00 0.00 H new ATOM 0 HA CYS A 40 2.828 -9.447 -2.463 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.172 -11.894 -1.788 1.00 0.00 H new ATOM 0 HB3 CYS A 40 1.209 -10.459 -0.783 1.00 0.00 H new ATOM 0 HG CYS A 40 0.017 -10.716 -3.988 1.00 0.00 H new ATOM 593 N LYS A 41 4.171 -12.171 -1.066 1.00 0.00 N ATOM 594 CA LYS A 41 5.282 -12.560 -0.158 1.00 0.00 C ATOM 595 C LYS A 41 6.627 -11.916 -0.522 1.00 0.00 C ATOM 596 O LYS A 41 7.435 -11.668 0.372 1.00 0.00 O ATOM 597 CB LYS A 41 5.465 -14.088 -0.059 1.00 0.00 C ATOM 598 CG LYS A 41 4.194 -14.899 0.212 1.00 0.00 C ATOM 599 CD LYS A 41 3.353 -14.387 1.394 1.00 0.00 C ATOM 600 CE LYS A 41 2.031 -15.152 1.477 1.00 0.00 C ATOM 601 NZ LYS A 41 1.128 -14.811 0.346 1.00 0.00 N ATOM 0 H LYS A 41 3.739 -12.950 -1.563 1.00 0.00 H new ATOM 0 HA LYS A 41 4.975 -12.176 0.815 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.907 -14.442 -0.990 1.00 0.00 H new ATOM 0 HB3 LYS A 41 6.182 -14.298 0.734 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.577 -14.895 -0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.473 -15.935 0.402 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.909 -14.507 2.324 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.157 -13.321 1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.230 -16.224 1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.536 -14.922 2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.256 -15.373 0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.892 -13.799 0.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.604 -15.022 -0.554 1.00 0.00 H new ATOM 615 N MET A 42 6.870 -11.616 -1.801 1.00 0.00 N ATOM 616 CA MET A 42 8.087 -10.925 -2.260 1.00 0.00 C ATOM 617 C MET A 42 8.116 -9.437 -1.863 1.00 0.00 C ATOM 618 O MET A 42 9.156 -8.959 -1.411 1.00 0.00 O ATOM 619 CB MET A 42 8.256 -11.068 -3.782 1.00 0.00 C ATOM 620 CG MET A 42 8.485 -12.516 -4.226 1.00 0.00 C ATOM 621 SD MET A 42 8.473 -12.731 -6.027 1.00 0.00 S ATOM 622 CE MET A 42 8.566 -14.540 -6.110 1.00 0.00 C ATOM 0 H MET A 42 6.225 -11.846 -2.556 1.00 0.00 H new ATOM 0 HA MET A 42 8.923 -11.409 -1.756 1.00 0.00 H new ATOM 0 HB2 MET A 42 7.368 -10.678 -4.279 1.00 0.00 H new ATOM 0 HB3 MET A 42 9.098 -10.457 -4.107 1.00 0.00 H new ATOM 0 HG2 MET A 42 9.441 -12.861 -3.833 1.00 0.00 H new ATOM 0 HG3 MET A 42 7.713 -13.149 -3.787 1.00 0.00 H new ATOM 0 HE1 MET A 42 8.569 -14.857 -7.153 1.00 0.00 H new ATOM 0 HE2 MET A 42 9.481 -14.880 -5.625 1.00 0.00 H new ATOM 0 HE3 MET A 42 7.704 -14.972 -5.602 1.00 0.00 H new ATOM 632 N VAL A 43 7.002 -8.702 -2.002 1.00 0.00 N ATOM 633 CA VAL A 43 6.954 -7.246 -1.716 1.00 0.00 C ATOM 634 C VAL A 43 6.618 -6.896 -0.258 1.00 0.00 C ATOM 635 O VAL A 43 7.060 -5.857 0.232 1.00 0.00 O ATOM 636 CB VAL A 43 6.045 -6.526 -2.734 1.00 0.00 C ATOM 637 CG1 VAL A 43 4.550 -6.747 -2.487 1.00 0.00 C ATOM 638 CG2 VAL A 43 6.321 -5.020 -2.798 1.00 0.00 C ATOM 0 H VAL A 43 6.111 -9.090 -2.313 1.00 0.00 H new ATOM 0 HA VAL A 43 7.970 -6.871 -1.842 1.00 0.00 H new ATOM 0 HB VAL A 43 6.299 -6.982 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.974 -6.211 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.325 -7.812 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.286 -6.376 -1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.656 -4.559 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.147 -4.576 -1.818 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.357 -4.852 -3.093 1.00 0.00 H new ATOM 648 N ALA A 44 5.914 -7.765 0.477 1.00 0.00 N ATOM 649 CA ALA A 44 5.569 -7.564 1.891 1.00 0.00 C ATOM 650 C ALA A 44 6.763 -7.239 2.821 1.00 0.00 C ATOM 651 O ALA A 44 6.656 -6.254 3.552 1.00 0.00 O ATOM 652 CB ALA A 44 4.772 -8.776 2.389 1.00 0.00 C ATOM 0 H ALA A 44 5.561 -8.644 0.099 1.00 0.00 H new ATOM 0 HA ALA A 44 4.958 -6.663 1.937 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.512 -8.634 3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.861 -8.879 1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.376 -9.677 2.283 1.00 0.00 H new ATOM 658 N PRO A 45 7.910 -7.956 2.807 1.00 0.00 N ATOM 659 CA PRO A 45 9.053 -7.602 3.655 1.00 0.00 C ATOM 660 C PRO A 45 9.708 -6.273 3.243 1.00 0.00 C ATOM 661 O PRO A 45 10.243 -5.564 4.095 1.00 0.00 O ATOM 662 CB PRO A 45 10.027 -8.781 3.545 1.00 0.00 C ATOM 663 CG PRO A 45 9.711 -9.382 2.178 1.00 0.00 C ATOM 664 CD PRO A 45 8.203 -9.177 2.067 1.00 0.00 C ATOM 0 HA PRO A 45 8.737 -7.438 4.685 1.00 0.00 H new ATOM 0 HB2 PRO A 45 11.064 -8.451 3.608 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.873 -9.504 4.346 1.00 0.00 H new ATOM 0 HG2 PRO A 45 10.249 -8.875 1.378 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.982 -10.436 2.126 1.00 0.00 H new ATOM 0 HD2 PRO A 45 7.897 -9.085 1.025 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.662 -10.026 2.484 1.00 0.00 H new ATOM 672 N VAL A 46 9.623 -5.888 1.963 1.00 0.00 N ATOM 673 CA VAL A 46 10.142 -4.599 1.472 1.00 0.00 C ATOM 674 C VAL A 46 9.261 -3.448 1.968 1.00 0.00 C ATOM 675 O VAL A 46 9.766 -2.469 2.516 1.00 0.00 O ATOM 676 CB VAL A 46 10.276 -4.565 -0.064 1.00 0.00 C ATOM 677 CG1 VAL A 46 11.166 -3.396 -0.463 1.00 0.00 C ATOM 678 CG2 VAL A 46 10.907 -5.843 -0.634 1.00 0.00 C ATOM 0 H VAL A 46 9.193 -6.460 1.236 1.00 0.00 H new ATOM 0 HA VAL A 46 11.147 -4.478 1.877 1.00 0.00 H new ATOM 0 HB VAL A 46 9.268 -4.469 -0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.264 -3.367 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.721 -2.464 -0.114 1.00 0.00 H new ATOM 0 HG13 VAL A 46 12.151 -3.518 -0.013 1.00 0.00 H new ATOM 0 HG21 VAL A 46 10.976 -5.762 -1.719 1.00 0.00 H new ATOM 0 HG22 VAL A 46 11.905 -5.974 -0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 46 10.289 -6.702 -0.373 1.00 0.00 H new ATOM 688 N LEU A 47 7.937 -3.596 1.860 1.00 0.00 N ATOM 689 CA LEU A 47 6.957 -2.674 2.443 1.00 0.00 C ATOM 690 C LEU A 47 7.070 -2.592 3.972 1.00 0.00 C ATOM 691 O LEU A 47 6.907 -1.512 4.530 1.00 0.00 O ATOM 692 CB LEU A 47 5.545 -3.135 2.046 1.00 0.00 C ATOM 693 CG LEU A 47 5.119 -2.742 0.625 1.00 0.00 C ATOM 694 CD1 LEU A 47 3.904 -3.570 0.229 1.00 0.00 C ATOM 695 CD2 LEU A 47 4.750 -1.258 0.547 1.00 0.00 C ATOM 0 H LEU A 47 7.509 -4.373 1.357 1.00 0.00 H new ATOM 0 HA LEU A 47 7.158 -1.675 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.492 -4.220 2.140 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.829 -2.718 2.754 1.00 0.00 H new ATOM 0 HG LEU A 47 5.955 -2.928 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.592 -3.299 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.160 -4.629 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.088 -3.375 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.453 -1.010 -0.472 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.923 -1.053 1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.611 -0.653 0.831 1.00 0.00 H new ATOM 707 N GLU A 48 7.386 -3.693 4.658 1.00 0.00 N ATOM 708 CA GLU A 48 7.599 -3.716 6.112 1.00 0.00 C ATOM 709 C GLU A 48 8.868 -2.945 6.523 1.00 0.00 C ATOM 710 O GLU A 48 8.853 -2.196 7.504 1.00 0.00 O ATOM 711 CB GLU A 48 7.638 -5.176 6.588 1.00 0.00 C ATOM 712 CG GLU A 48 7.481 -5.298 8.104 1.00 0.00 C ATOM 713 CD GLU A 48 7.544 -6.775 8.541 1.00 0.00 C ATOM 714 OE1 GLU A 48 8.656 -7.284 8.821 1.00 0.00 O ATOM 715 OE2 GLU A 48 6.480 -7.439 8.608 1.00 0.00 O ATOM 0 H GLU A 48 7.503 -4.605 4.217 1.00 0.00 H new ATOM 0 HA GLU A 48 6.769 -3.204 6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.843 -5.737 6.097 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.582 -5.629 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.268 -4.732 8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.531 -4.862 8.412 1.00 0.00 H new ATOM 722 N GLU A 49 9.951 -3.037 5.742 1.00 0.00 N ATOM 723 CA GLU A 49 11.121 -2.170 5.916 1.00 0.00 C ATOM 724 C GLU A 49 10.768 -0.694 5.685 1.00 0.00 C ATOM 725 O GLU A 49 11.115 0.139 6.517 1.00 0.00 O ATOM 726 CB GLU A 49 12.275 -2.582 4.992 1.00 0.00 C ATOM 727 CG GLU A 49 13.023 -3.821 5.499 1.00 0.00 C ATOM 728 CD GLU A 49 14.221 -4.173 4.593 1.00 0.00 C ATOM 729 OE1 GLU A 49 14.949 -3.246 4.161 1.00 0.00 O ATOM 730 OE2 GLU A 49 14.455 -5.377 4.327 1.00 0.00 O ATOM 0 H GLU A 49 10.041 -3.708 4.979 1.00 0.00 H new ATOM 0 HA GLU A 49 11.448 -2.291 6.949 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.883 -2.782 3.995 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.975 -1.752 4.899 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.375 -3.643 6.515 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.338 -4.668 5.542 1.00 0.00 H new ATOM 737 N ILE A 50 10.021 -0.349 4.629 1.00 0.00 N ATOM 738 CA ILE A 50 9.542 1.031 4.424 1.00 0.00 C ATOM 739 C ILE A 50 8.675 1.494 5.611 1.00 0.00 C ATOM 740 O ILE A 50 8.871 2.600 6.116 1.00 0.00 O ATOM 741 CB ILE A 50 8.796 1.150 3.072 1.00 0.00 C ATOM 742 CG1 ILE A 50 9.715 0.897 1.849 1.00 0.00 C ATOM 743 CG2 ILE A 50 8.087 2.505 2.915 1.00 0.00 C ATOM 744 CD1 ILE A 50 10.858 1.899 1.622 1.00 0.00 C ATOM 0 H ILE A 50 9.733 -1.003 3.901 1.00 0.00 H new ATOM 0 HA ILE A 50 10.403 1.699 4.381 1.00 0.00 H new ATOM 0 HB ILE A 50 8.043 0.362 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.150 -0.097 1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 50 9.093 0.883 0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.578 2.540 1.952 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.357 2.629 3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.822 3.308 2.967 1.00 0.00 H new ATOM 0 HD11 ILE A 50 11.425 1.610 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 50 10.444 2.897 1.478 1.00 0.00 H new ATOM 0 HD13 ILE A 50 11.517 1.902 2.490 1.00 0.00 H new ATOM 756 N ALA A 51 7.776 0.646 6.116 1.00 0.00 N ATOM 757 CA ALA A 51 6.932 0.937 7.275 1.00 0.00 C ATOM 758 C ALA A 51 7.742 1.180 8.556 1.00 0.00 C ATOM 759 O ALA A 51 7.360 1.990 9.397 1.00 0.00 O ATOM 760 CB ALA A 51 5.979 -0.244 7.489 1.00 0.00 C ATOM 0 H ALA A 51 7.612 -0.280 5.722 1.00 0.00 H new ATOM 0 HA ALA A 51 6.385 1.857 7.069 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.341 -0.045 8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.360 -0.378 6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.557 -1.150 7.668 1.00 0.00 H new ATOM 766 N THR A 52 8.855 0.468 8.727 1.00 0.00 N ATOM 767 CA THR A 52 9.736 0.610 9.897 1.00 0.00 C ATOM 768 C THR A 52 10.636 1.844 9.788 1.00 0.00 C ATOM 769 O THR A 52 10.742 2.631 10.727 1.00 0.00 O ATOM 770 CB THR A 52 10.598 -0.650 10.091 1.00 0.00 C ATOM 771 OG1 THR A 52 9.787 -1.801 10.124 1.00 0.00 O ATOM 772 CG2 THR A 52 11.359 -0.633 11.415 1.00 0.00 C ATOM 0 H THR A 52 9.177 -0.229 8.056 1.00 0.00 H new ATOM 0 HA THR A 52 9.091 0.738 10.766 1.00 0.00 H new ATOM 0 HB THR A 52 11.296 -0.664 9.254 1.00 0.00 H new ATOM 0 HG1 THR A 52 9.435 -1.979 9.227 1.00 0.00 H new ATOM 0 HG21 THR A 52 11.952 -1.543 11.505 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.018 0.235 11.445 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.650 -0.579 12.241 1.00 0.00 H new ATOM 780 N GLU A 53 11.298 2.015 8.643 1.00 0.00 N ATOM 781 CA GLU A 53 12.363 3.003 8.439 1.00 0.00 C ATOM 782 C GLU A 53 11.856 4.400 8.053 1.00 0.00 C ATOM 783 O GLU A 53 12.480 5.404 8.404 1.00 0.00 O ATOM 784 CB GLU A 53 13.305 2.501 7.337 1.00 0.00 C ATOM 785 CG GLU A 53 13.990 1.164 7.651 1.00 0.00 C ATOM 786 CD GLU A 53 15.045 0.806 6.587 1.00 0.00 C ATOM 787 OE1 GLU A 53 14.911 1.228 5.408 1.00 0.00 O ATOM 788 OE2 GLU A 53 16.021 0.090 6.912 1.00 0.00 O ATOM 0 H GLU A 53 11.105 1.458 7.811 1.00 0.00 H new ATOM 0 HA GLU A 53 12.873 3.108 9.397 1.00 0.00 H new ATOM 0 HB2 GLU A 53 12.739 2.397 6.411 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.071 3.255 7.159 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.464 1.218 8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.241 0.374 7.703 1.00 0.00 H new ATOM 795 N ARG A 54 10.740 4.472 7.314 1.00 0.00 N ATOM 796 CA ARG A 54 10.206 5.700 6.692 1.00 0.00 C ATOM 797 C ARG A 54 8.942 6.214 7.383 1.00 0.00 C ATOM 798 O ARG A 54 8.254 7.055 6.818 1.00 0.00 O ATOM 799 CB ARG A 54 10.034 5.522 5.163 1.00 0.00 C ATOM 800 CG ARG A 54 11.203 4.811 4.450 1.00 0.00 C ATOM 801 CD ARG A 54 12.558 5.523 4.606 1.00 0.00 C ATOM 802 NE ARG A 54 13.683 4.565 4.577 1.00 0.00 N ATOM 803 CZ ARG A 54 14.926 4.810 4.949 1.00 0.00 C ATOM 804 NH1 ARG A 54 15.339 6.009 5.246 1.00 0.00 N ATOM 805 NH2 ARG A 54 15.782 3.836 5.050 1.00 0.00 N ATOM 0 H ARG A 54 10.163 3.653 7.124 1.00 0.00 H new ATOM 0 HA ARG A 54 10.947 6.486 6.839 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.120 4.957 4.979 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.898 6.505 4.712 1.00 0.00 H new ATOM 0 HG2 ARG A 54 11.290 3.797 4.840 1.00 0.00 H new ATOM 0 HG3 ARG A 54 10.969 4.725 3.389 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.680 6.253 3.806 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.574 6.075 5.546 1.00 0.00 H new ATOM 0 HE ARG A 54 13.480 3.625 4.237 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.694 6.798 5.195 1.00 0.00 H new ATOM 0 HH12 ARG A 54 16.307 6.159 5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.494 2.880 4.842 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.742 4.028 5.338 1.00 0.00 H new ATOM 819 N ALA A 55 8.653 5.760 8.607 1.00 0.00 N ATOM 820 CA ALA A 55 7.464 6.124 9.391 1.00 0.00 C ATOM 821 C ALA A 55 7.230 7.649 9.526 1.00 0.00 C ATOM 822 O ALA A 55 6.087 8.114 9.545 1.00 0.00 O ATOM 823 CB ALA A 55 7.617 5.483 10.775 1.00 0.00 C ATOM 0 H ALA A 55 9.261 5.105 9.098 1.00 0.00 H new ATOM 0 HA ALA A 55 6.586 5.754 8.862 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.751 5.731 11.389 1.00 0.00 H new ATOM 0 HB2 ALA A 55 7.688 4.401 10.669 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.521 5.861 11.253 1.00 0.00 H new ATOM 829 N THR A 56 8.305 8.442 9.578 1.00 0.00 N ATOM 830 CA THR A 56 8.265 9.916 9.646 1.00 0.00 C ATOM 831 C THR A 56 7.736 10.548 8.348 1.00 0.00 C ATOM 832 O THR A 56 7.112 11.608 8.380 1.00 0.00 O ATOM 833 CB THR A 56 9.675 10.464 9.946 1.00 0.00 C ATOM 834 OG1 THR A 56 10.257 9.748 11.019 1.00 0.00 O ATOM 835 CG2 THR A 56 9.677 11.940 10.349 1.00 0.00 C ATOM 0 H THR A 56 9.255 8.071 9.574 1.00 0.00 H new ATOM 0 HA THR A 56 7.577 10.184 10.448 1.00 0.00 H new ATOM 0 HB THR A 56 10.237 10.348 9.019 1.00 0.00 H new ATOM 0 HG1 THR A 56 11.153 10.102 11.201 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.700 12.262 10.546 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.258 12.539 9.540 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.075 12.072 11.248 1.00 0.00 H new ATOM 843 N ASP A 57 7.951 9.891 7.206 1.00 0.00 N ATOM 844 CA ASP A 57 7.613 10.379 5.864 1.00 0.00 C ATOM 845 C ASP A 57 6.339 9.729 5.301 1.00 0.00 C ATOM 846 O ASP A 57 5.508 10.412 4.707 1.00 0.00 O ATOM 847 CB ASP A 57 8.794 10.095 4.926 1.00 0.00 C ATOM 848 CG ASP A 57 10.094 10.747 5.419 1.00 0.00 C ATOM 849 OD1 ASP A 57 10.245 11.981 5.271 1.00 0.00 O ATOM 850 OD2 ASP A 57 10.968 10.020 5.947 1.00 0.00 O ATOM 0 H ASP A 57 8.383 8.967 7.189 1.00 0.00 H new ATOM 0 HA ASP A 57 7.418 11.449 5.936 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.939 9.018 4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.560 10.464 3.927 1.00 0.00 H new ATOM 855 N LEU A 58 6.164 8.425 5.534 1.00 0.00 N ATOM 856 CA LEU A 58 5.085 7.577 5.023 1.00 0.00 C ATOM 857 C LEU A 58 4.365 6.867 6.173 1.00 0.00 C ATOM 858 O LEU A 58 4.981 6.504 7.173 1.00 0.00 O ATOM 859 CB LEU A 58 5.642 6.514 4.048 1.00 0.00 C ATOM 860 CG LEU A 58 6.300 7.037 2.767 1.00 0.00 C ATOM 861 CD1 LEU A 58 6.948 5.885 1.999 1.00 0.00 C ATOM 862 CD2 LEU A 58 5.289 7.705 1.840 1.00 0.00 C ATOM 0 H LEU A 58 6.813 7.901 6.121 1.00 0.00 H new ATOM 0 HA LEU A 58 4.380 8.220 4.495 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.373 5.909 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.825 5.850 3.765 1.00 0.00 H new ATOM 0 HG LEU A 58 7.046 7.771 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.412 6.269 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.707 5.413 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.187 5.150 1.735 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.797 8.062 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.521 6.984 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.825 8.547 2.354 1.00 0.00 H new ATOM 874 N THR A 59 3.070 6.608 6.003 1.00 0.00 N ATOM 875 CA THR A 59 2.373 5.542 6.745 1.00 0.00 C ATOM 876 C THR A 59 2.057 4.421 5.760 1.00 0.00 C ATOM 877 O THR A 59 1.489 4.680 4.696 1.00 0.00 O ATOM 878 CB THR A 59 1.109 6.043 7.460 1.00 0.00 C ATOM 879 OG1 THR A 59 1.441 7.128 8.302 1.00 0.00 O ATOM 880 CG2 THR A 59 0.485 4.967 8.351 1.00 0.00 C ATOM 0 H THR A 59 2.473 7.122 5.355 1.00 0.00 H new ATOM 0 HA THR A 59 3.022 5.176 7.541 1.00 0.00 H new ATOM 0 HB THR A 59 0.400 6.328 6.683 1.00 0.00 H new ATOM 0 HG1 THR A 59 0.634 7.448 8.756 1.00 0.00 H new ATOM 0 HG21 THR A 59 -0.406 5.367 8.836 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.211 4.105 7.743 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.205 4.661 9.110 1.00 0.00 H new ATOM 888 N VAL A 60 2.453 3.191 6.091 1.00 0.00 N ATOM 889 CA VAL A 60 2.276 2.018 5.222 1.00 0.00 C ATOM 890 C VAL A 60 1.048 1.223 5.679 1.00 0.00 C ATOM 891 O VAL A 60 0.909 0.892 6.856 1.00 0.00 O ATOM 892 CB VAL A 60 3.557 1.160 5.167 1.00 0.00 C ATOM 893 CG1 VAL A 60 3.351 -0.126 4.356 1.00 0.00 C ATOM 894 CG2 VAL A 60 4.696 1.943 4.503 1.00 0.00 C ATOM 0 H VAL A 60 2.910 2.975 6.977 1.00 0.00 H new ATOM 0 HA VAL A 60 2.097 2.350 4.199 1.00 0.00 H new ATOM 0 HB VAL A 60 3.804 0.906 6.198 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.277 -0.700 4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.561 -0.722 4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.068 0.129 3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.593 1.324 4.472 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.407 2.215 3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.899 2.847 5.077 1.00 0.00 H new ATOM 904 N ALA A 61 0.150 0.915 4.749 1.00 0.00 N ATOM 905 CA ALA A 61 -1.143 0.281 4.985 1.00 0.00 C ATOM 906 C ALA A 61 -1.326 -0.980 4.123 1.00 0.00 C ATOM 907 O ALA A 61 -0.803 -1.056 3.011 1.00 0.00 O ATOM 908 CB ALA A 61 -2.239 1.319 4.711 1.00 0.00 C ATOM 0 H ALA A 61 0.312 1.110 3.761 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.204 -0.054 6.020 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.217 0.869 4.881 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.110 2.170 5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.170 1.657 3.677 1.00 0.00 H new ATOM 914 N LYS A 62 -2.103 -1.956 4.608 1.00 0.00 N ATOM 915 CA LYS A 62 -2.436 -3.197 3.881 1.00 0.00 C ATOM 916 C LYS A 62 -3.943 -3.469 3.845 1.00 0.00 C ATOM 917 O LYS A 62 -4.646 -3.222 4.828 1.00 0.00 O ATOM 918 CB LYS A 62 -1.667 -4.394 4.469 1.00 0.00 C ATOM 919 CG LYS A 62 -0.153 -4.309 4.201 1.00 0.00 C ATOM 920 CD LYS A 62 0.622 -5.508 4.775 1.00 0.00 C ATOM 921 CE LYS A 62 0.311 -6.847 4.087 1.00 0.00 C ATOM 922 NZ LYS A 62 0.965 -6.973 2.758 1.00 0.00 N ATOM 0 H LYS A 62 -2.528 -1.909 5.534 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.121 -3.058 2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.841 -4.441 5.544 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.057 -5.318 4.042 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.019 -4.252 3.126 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.237 -3.388 4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.690 -5.309 4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.396 -5.597 5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.639 -7.665 4.728 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.768 -6.948 3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 0.488 -7.714 2.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.900 -6.067 2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.965 -7.227 2.886 1.00 0.00 H new ATOM 936 N LEU A 63 -4.413 -4.008 2.719 1.00 0.00 N ATOM 937 CA LEU A 63 -5.787 -4.478 2.498 1.00 0.00 C ATOM 938 C LEU A 63 -5.769 -5.860 1.835 1.00 0.00 C ATOM 939 O LEU A 63 -5.193 -6.058 0.763 1.00 0.00 O ATOM 940 CB LEU A 63 -6.546 -3.408 1.695 1.00 0.00 C ATOM 941 CG LEU A 63 -7.975 -3.700 1.180 1.00 0.00 C ATOM 942 CD1 LEU A 63 -7.966 -4.333 -0.214 1.00 0.00 C ATOM 943 CD2 LEU A 63 -8.859 -4.558 2.085 1.00 0.00 C ATOM 0 H LEU A 63 -3.822 -4.136 1.898 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.319 -4.612 3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.601 -2.514 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.934 -3.157 0.829 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.420 -2.705 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.991 -4.521 -0.535 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.483 -3.655 -0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.418 -5.274 -0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.835 -4.694 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.390 -5.531 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.983 -4.063 3.048 1.00 0.00 H new ATOM 955 N ASP A 64 -6.405 -6.812 2.508 1.00 0.00 N ATOM 956 CA ASP A 64 -6.478 -8.223 2.143 1.00 0.00 C ATOM 957 C ASP A 64 -7.577 -8.433 1.081 1.00 0.00 C ATOM 958 O ASP A 64 -8.754 -8.581 1.417 1.00 0.00 O ATOM 959 CB ASP A 64 -6.793 -9.045 3.411 1.00 0.00 C ATOM 960 CG ASP A 64 -5.724 -9.032 4.519 1.00 0.00 C ATOM 961 OD1 ASP A 64 -5.102 -7.977 4.791 1.00 0.00 O ATOM 962 OD2 ASP A 64 -5.550 -10.074 5.191 1.00 0.00 O ATOM 0 H ASP A 64 -6.911 -6.610 3.370 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.527 -8.550 1.723 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.728 -8.676 3.834 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.964 -10.080 3.114 1.00 0.00 H new ATOM 967 N VAL A 65 -7.228 -8.481 -0.211 1.00 0.00 N ATOM 968 CA VAL A 65 -8.225 -8.692 -1.286 1.00 0.00 C ATOM 969 C VAL A 65 -8.818 -10.108 -1.291 1.00 0.00 C ATOM 970 O VAL A 65 -9.844 -10.346 -1.925 1.00 0.00 O ATOM 971 CB VAL A 65 -7.729 -8.293 -2.690 1.00 0.00 C ATOM 972 CG1 VAL A 65 -7.293 -6.825 -2.742 1.00 0.00 C ATOM 973 CG2 VAL A 65 -6.590 -9.159 -3.227 1.00 0.00 C ATOM 0 H VAL A 65 -6.269 -8.378 -0.543 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.031 -8.002 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.595 -8.455 -3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.950 -6.583 -3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -8.137 -6.185 -2.482 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -6.482 -6.661 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.303 -8.809 -4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.734 -9.091 -2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.920 -10.196 -3.290 1.00 0.00 H new ATOM 983 N ASP A 66 -8.213 -11.047 -0.558 1.00 0.00 N ATOM 984 CA ASP A 66 -8.768 -12.386 -0.329 1.00 0.00 C ATOM 985 C ASP A 66 -10.046 -12.363 0.540 1.00 0.00 C ATOM 986 O ASP A 66 -10.902 -13.237 0.386 1.00 0.00 O ATOM 987 CB ASP A 66 -7.684 -13.271 0.306 1.00 0.00 C ATOM 988 CG ASP A 66 -8.148 -14.733 0.435 1.00 0.00 C ATOM 989 OD1 ASP A 66 -8.251 -15.424 -0.607 1.00 0.00 O ATOM 990 OD2 ASP A 66 -8.409 -15.192 1.573 1.00 0.00 O ATOM 0 H ASP A 66 -7.313 -10.898 -0.101 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.070 -12.799 -1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.778 -13.228 -0.299 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.427 -12.882 1.291 1.00 0.00 H new ATOM 995 N THR A 67 -10.206 -11.360 1.420 1.00 0.00 N ATOM 996 CA THR A 67 -11.367 -11.231 2.329 1.00 0.00 C ATOM 997 C THR A 67 -12.192 -9.955 2.126 1.00 0.00 C ATOM 998 O THR A 67 -13.408 -9.988 2.333 1.00 0.00 O ATOM 999 CB THR A 67 -10.943 -11.331 3.804 1.00 0.00 C ATOM 1000 OG1 THR A 67 -10.011 -10.320 4.124 1.00 0.00 O ATOM 1001 CG2 THR A 67 -10.303 -12.679 4.140 1.00 0.00 C ATOM 0 H THR A 67 -9.527 -10.606 1.524 1.00 0.00 H new ATOM 0 HA THR A 67 -12.011 -12.070 2.067 1.00 0.00 H new ATOM 0 HB THR A 67 -11.857 -11.217 4.387 1.00 0.00 H new ATOM 0 HG1 THR A 67 -9.754 -10.398 5.066 1.00 0.00 H new ATOM 0 HG21 THR A 67 -10.022 -12.696 5.193 1.00 0.00 H new ATOM 0 HG22 THR A 67 -11.015 -13.480 3.941 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.414 -12.823 3.525 1.00 0.00 H new ATOM 1009 N ASN A 68 -11.587 -8.847 1.680 1.00 0.00 N ATOM 1010 CA ASN A 68 -12.280 -7.606 1.321 1.00 0.00 C ATOM 1011 C ASN A 68 -11.713 -7.010 0.008 1.00 0.00 C ATOM 1012 O ASN A 68 -10.982 -6.020 0.041 1.00 0.00 O ATOM 1013 CB ASN A 68 -12.225 -6.649 2.534 1.00 0.00 C ATOM 1014 CG ASN A 68 -13.097 -5.414 2.361 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -12.642 -4.280 2.347 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -14.396 -5.585 2.253 1.00 0.00 N ATOM 0 H ASN A 68 -10.576 -8.789 1.556 1.00 0.00 H new ATOM 0 HA ASN A 68 -13.331 -7.795 1.102 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.541 -7.187 3.428 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -11.193 -6.338 2.697 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -15.011 -4.777 2.159 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.789 -6.526 2.263 1.00 0.00 H new ATOM 1023 N PRO A 69 -12.051 -7.571 -1.172 1.00 0.00 N ATOM 1024 CA PRO A 69 -11.606 -7.044 -2.471 1.00 0.00 C ATOM 1025 C PRO A 69 -12.221 -5.681 -2.829 1.00 0.00 C ATOM 1026 O PRO A 69 -11.742 -5.013 -3.745 1.00 0.00 O ATOM 1027 CB PRO A 69 -12.003 -8.112 -3.497 1.00 0.00 C ATOM 1028 CG PRO A 69 -13.213 -8.790 -2.853 1.00 0.00 C ATOM 1029 CD PRO A 69 -12.880 -8.754 -1.364 1.00 0.00 C ATOM 0 HA PRO A 69 -10.533 -6.856 -2.450 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -12.256 -7.669 -4.460 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.193 -8.820 -3.674 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -14.138 -8.256 -3.072 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -13.341 -9.811 -3.213 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -13.787 -8.698 -0.762 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -12.350 -9.657 -1.060 1.00 0.00 H new ATOM 1037 N GLU A 70 -13.269 -5.250 -2.119 1.00 0.00 N ATOM 1038 CA GLU A 70 -14.059 -4.055 -2.438 1.00 0.00 C ATOM 1039 C GLU A 70 -13.234 -2.759 -2.476 1.00 0.00 C ATOM 1040 O GLU A 70 -13.505 -1.905 -3.319 1.00 0.00 O ATOM 1041 CB GLU A 70 -15.220 -3.922 -1.438 1.00 0.00 C ATOM 1042 CG GLU A 70 -16.255 -5.054 -1.537 1.00 0.00 C ATOM 1043 CD GLU A 70 -17.009 -5.039 -2.881 1.00 0.00 C ATOM 1044 OE1 GLU A 70 -18.067 -4.373 -2.983 1.00 0.00 O ATOM 1045 OE2 GLU A 70 -16.547 -5.700 -3.843 1.00 0.00 O ATOM 0 H GLU A 70 -13.600 -5.735 -1.285 1.00 0.00 H new ATOM 0 HA GLU A 70 -14.443 -4.194 -3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.815 -3.900 -0.426 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -15.721 -2.968 -1.602 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -15.753 -6.014 -1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -16.971 -4.962 -0.720 1.00 0.00 H new ATOM 1052 N THR A 71 -12.187 -2.616 -1.653 1.00 0.00 N ATOM 1053 CA THR A 71 -11.292 -1.441 -1.694 1.00 0.00 C ATOM 1054 C THR A 71 -10.532 -1.349 -3.021 1.00 0.00 C ATOM 1055 O THR A 71 -10.486 -0.288 -3.640 1.00 0.00 O ATOM 1056 CB THR A 71 -10.279 -1.467 -0.547 1.00 0.00 C ATOM 1057 OG1 THR A 71 -10.905 -1.817 0.665 1.00 0.00 O ATOM 1058 CG2 THR A 71 -9.588 -0.124 -0.322 1.00 0.00 C ATOM 0 H THR A 71 -11.934 -3.303 -0.943 1.00 0.00 H new ATOM 0 HA THR A 71 -11.934 -0.566 -1.590 1.00 0.00 H new ATOM 0 HB THR A 71 -9.534 -2.206 -0.842 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.346 -1.529 1.417 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.883 -0.212 0.505 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.053 0.166 -1.226 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.334 0.634 -0.084 1.00 0.00 H new ATOM 1066 N ALA A 72 -9.980 -2.469 -3.498 1.00 0.00 N ATOM 1067 CA ALA A 72 -9.268 -2.545 -4.774 1.00 0.00 C ATOM 1068 C ALA A 72 -10.217 -2.479 -5.981 1.00 0.00 C ATOM 1069 O ALA A 72 -9.881 -1.892 -7.013 1.00 0.00 O ATOM 1070 CB ALA A 72 -8.403 -3.809 -4.755 1.00 0.00 C ATOM 0 H ALA A 72 -10.017 -3.359 -3.001 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.624 -1.673 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.859 -3.892 -5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.693 -3.752 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.040 -4.684 -4.626 1.00 0.00 H new ATOM 1076 N ARG A 73 -11.434 -3.016 -5.835 1.00 0.00 N ATOM 1077 CA ARG A 73 -12.488 -2.979 -6.857 1.00 0.00 C ATOM 1078 C ARG A 73 -13.125 -1.590 -7.013 1.00 0.00 C ATOM 1079 O ARG A 73 -13.455 -1.209 -8.135 1.00 0.00 O ATOM 1080 CB ARG A 73 -13.513 -4.077 -6.527 1.00 0.00 C ATOM 1081 CG ARG A 73 -14.599 -4.249 -7.601 1.00 0.00 C ATOM 1082 CD ARG A 73 -15.551 -5.402 -7.256 1.00 0.00 C ATOM 1083 NE ARG A 73 -14.903 -6.721 -7.405 1.00 0.00 N ATOM 1084 CZ ARG A 73 -15.007 -7.770 -6.606 1.00 0.00 C ATOM 1085 NH1 ARG A 73 -15.630 -7.746 -5.463 1.00 0.00 N ATOM 1086 NH2 ARG A 73 -14.468 -8.904 -6.956 1.00 0.00 N ATOM 0 H ARG A 73 -11.720 -3.499 -4.984 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.049 -3.179 -7.834 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.989 -5.024 -6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.989 -3.843 -5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -15.166 -3.323 -7.698 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.131 -4.439 -8.567 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.904 -5.286 -6.231 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -16.427 -5.354 -7.903 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.303 -6.837 -8.222 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.071 -6.885 -5.141 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -15.677 -8.588 -4.890 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.969 -8.979 -7.842 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.545 -9.716 -6.344 1.00 0.00 H new ATOM 1100 N ASN A 74 -13.222 -0.798 -5.942 1.00 0.00 N ATOM 1101 CA ASN A 74 -13.726 0.585 -5.970 1.00 0.00 C ATOM 1102 C ASN A 74 -12.915 1.492 -6.917 1.00 0.00 C ATOM 1103 O ASN A 74 -13.485 2.326 -7.622 1.00 0.00 O ATOM 1104 CB ASN A 74 -13.716 1.131 -4.530 1.00 0.00 C ATOM 1105 CG ASN A 74 -14.179 2.577 -4.453 1.00 0.00 C ATOM 1106 OD1 ASN A 74 -15.364 2.877 -4.504 1.00 0.00 O ATOM 1107 ND2 ASN A 74 -13.270 3.522 -4.349 1.00 0.00 N ATOM 0 H ASN A 74 -12.947 -1.104 -5.009 1.00 0.00 H new ATOM 0 HA ASN A 74 -14.742 0.581 -6.365 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.361 0.513 -3.906 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.708 1.053 -4.122 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.554 4.501 -4.311 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.281 3.276 -4.306 1.00 0.00 H new ATOM 1114 N PHE A 75 -11.594 1.288 -6.973 1.00 0.00 N ATOM 1115 CA PHE A 75 -10.671 1.978 -7.885 1.00 0.00 C ATOM 1116 C PHE A 75 -10.359 1.165 -9.163 1.00 0.00 C ATOM 1117 O PHE A 75 -9.437 1.510 -9.898 1.00 0.00 O ATOM 1118 CB PHE A 75 -9.406 2.373 -7.102 1.00 0.00 C ATOM 1119 CG PHE A 75 -9.678 3.229 -5.875 1.00 0.00 C ATOM 1120 CD1 PHE A 75 -10.135 4.553 -6.023 1.00 0.00 C ATOM 1121 CD2 PHE A 75 -9.493 2.697 -4.585 1.00 0.00 C ATOM 1122 CE1 PHE A 75 -10.411 5.336 -4.889 1.00 0.00 C ATOM 1123 CE2 PHE A 75 -9.782 3.476 -3.450 1.00 0.00 C ATOM 1124 CZ PHE A 75 -10.239 4.797 -3.601 1.00 0.00 C ATOM 0 H PHE A 75 -11.122 0.617 -6.366 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.155 2.882 -8.256 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.886 1.467 -6.792 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.734 2.914 -7.768 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.274 4.968 -7.011 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.128 1.687 -4.466 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -10.756 6.353 -5.007 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.653 3.059 -2.462 1.00 0.00 H new ATOM 0 HZ PHE A 75 -10.458 5.397 -2.730 1.00 0.00 H new ATOM 1134 N GLN A 76 -11.087 0.064 -9.401 1.00 0.00 N ATOM 1135 CA GLN A 76 -10.937 -0.970 -10.446 1.00 0.00 C ATOM 1136 C GLN A 76 -9.567 -1.673 -10.576 1.00 0.00 C ATOM 1137 O GLN A 76 -9.461 -2.681 -11.279 1.00 0.00 O ATOM 1138 CB GLN A 76 -11.551 -0.510 -11.784 1.00 0.00 C ATOM 1139 CG GLN A 76 -10.553 0.145 -12.746 1.00 0.00 C ATOM 1140 CD GLN A 76 -11.231 0.644 -14.019 1.00 0.00 C ATOM 1141 OE1 GLN A 76 -11.547 1.818 -14.174 1.00 0.00 O ATOM 1142 NE2 GLN A 76 -11.496 -0.220 -14.979 1.00 0.00 N ATOM 0 H GLN A 76 -11.884 -0.151 -8.802 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.531 -1.803 -10.071 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -12.002 -1.371 -12.278 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.355 0.196 -11.577 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.061 0.979 -12.246 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.776 -0.573 -13.007 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.240 -1.201 -14.867 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.957 0.093 -15.834 1.00 0.00 H new ATOM 1151 N VAL A 77 -8.528 -1.203 -9.881 1.00 0.00 N ATOM 1152 CA VAL A 77 -7.157 -1.746 -9.876 1.00 0.00 C ATOM 1153 C VAL A 77 -7.032 -2.969 -8.956 1.00 0.00 C ATOM 1154 O VAL A 77 -6.252 -3.011 -8.005 1.00 0.00 O ATOM 1155 CB VAL A 77 -6.114 -0.643 -9.600 1.00 0.00 C ATOM 1156 CG1 VAL A 77 -6.072 0.322 -10.793 1.00 0.00 C ATOM 1157 CG2 VAL A 77 -6.380 0.173 -8.328 1.00 0.00 C ATOM 0 H VAL A 77 -8.620 -0.390 -9.272 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.934 -2.116 -10.877 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.164 -1.158 -9.453 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.336 1.104 -10.603 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.795 -0.225 -11.694 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.054 0.774 -10.930 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.601 0.926 -8.209 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.350 0.664 -8.407 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.379 -0.490 -7.463 1.00 0.00 H new ATOM 1167 N VAL A 78 -7.846 -3.983 -9.254 1.00 0.00 N ATOM 1168 CA VAL A 78 -8.012 -5.220 -8.470 1.00 0.00 C ATOM 1169 C VAL A 78 -6.888 -6.251 -8.692 1.00 0.00 C ATOM 1170 O VAL A 78 -6.843 -7.286 -8.027 1.00 0.00 O ATOM 1171 CB VAL A 78 -9.430 -5.767 -8.726 1.00 0.00 C ATOM 1172 CG1 VAL A 78 -9.558 -6.508 -10.063 1.00 0.00 C ATOM 1173 CG2 VAL A 78 -9.951 -6.649 -7.587 1.00 0.00 C ATOM 0 H VAL A 78 -8.437 -3.969 -10.085 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.914 -4.988 -7.410 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.058 -4.877 -8.774 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.580 -6.868 -10.183 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.314 -5.829 -10.880 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -8.871 -7.354 -10.077 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.953 -7.002 -7.829 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.287 -7.504 -7.456 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.983 -6.070 -6.664 1.00 0.00 H new ATOM 1183 N SER A 79 -5.963 -5.955 -9.610 1.00 0.00 N ATOM 1184 CA SER A 79 -4.707 -6.686 -9.860 1.00 0.00 C ATOM 1185 C SER A 79 -3.815 -6.785 -8.609 1.00 0.00 C ATOM 1186 O SER A 79 -3.938 -5.979 -7.684 1.00 0.00 O ATOM 1187 CB SER A 79 -3.922 -5.992 -10.981 1.00 0.00 C ATOM 1188 OG SER A 79 -4.731 -5.798 -12.134 1.00 0.00 O ATOM 0 H SER A 79 -6.072 -5.156 -10.235 1.00 0.00 H new ATOM 0 HA SER A 79 -4.982 -7.701 -10.149 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.552 -5.030 -10.627 1.00 0.00 H new ATOM 0 HB3 SER A 79 -3.050 -6.592 -11.242 1.00 0.00 H new ATOM 0 HG SER A 79 -4.206 -5.353 -12.831 1.00 0.00 H new ATOM 1194 N ILE A 80 -2.913 -7.777 -8.555 1.00 0.00 N ATOM 1195 CA ILE A 80 -2.233 -8.179 -7.307 1.00 0.00 C ATOM 1196 C ILE A 80 -0.740 -8.512 -7.533 1.00 0.00 C ATOM 1197 O ILE A 80 -0.429 -9.232 -8.488 1.00 0.00 O ATOM 1198 CB ILE A 80 -2.952 -9.410 -6.677 1.00 0.00 C ATOM 1199 CG1 ILE A 80 -4.492 -9.271 -6.609 1.00 0.00 C ATOM 1200 CG2 ILE A 80 -2.398 -9.695 -5.269 1.00 0.00 C ATOM 1201 CD1 ILE A 80 -5.230 -10.547 -6.190 1.00 0.00 C ATOM 0 H ILE A 80 -2.633 -8.323 -9.370 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.284 -7.329 -6.626 1.00 0.00 H new ATOM 0 HB ILE A 80 -2.743 -10.246 -7.344 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.741 -8.476 -5.907 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.859 -8.959 -7.587 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.911 -10.558 -4.844 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -1.330 -9.904 -5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -2.560 -8.826 -4.631 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.303 -10.357 -6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.016 -11.342 -6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -4.896 -10.851 -5.198 1.00 0.00 H new ATOM 1213 N PRO A 81 0.182 -8.074 -6.645 1.00 0.00 N ATOM 1214 CA PRO A 81 0.008 -7.003 -5.658 1.00 0.00 C ATOM 1215 C PRO A 81 -0.152 -5.647 -6.355 1.00 0.00 C ATOM 1216 O PRO A 81 0.530 -5.392 -7.350 1.00 0.00 O ATOM 1217 CB PRO A 81 1.282 -7.009 -4.804 1.00 0.00 C ATOM 1218 CG PRO A 81 2.343 -7.576 -5.747 1.00 0.00 C ATOM 1219 CD PRO A 81 1.547 -8.572 -6.590 1.00 0.00 C ATOM 0 HA PRO A 81 -0.886 -7.162 -5.054 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.542 -6.006 -4.464 1.00 0.00 H new ATOM 0 HB3 PRO A 81 1.165 -7.627 -3.914 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.796 -6.798 -6.361 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.151 -8.063 -5.201 1.00 0.00 H new ATOM 0 HD2 PRO A 81 1.969 -8.656 -7.591 1.00 0.00 H new ATOM 0 HD3 PRO A 81 1.579 -9.567 -6.146 1.00 0.00 H new ATOM 1227 N THR A 82 -0.994 -4.764 -5.815 1.00 0.00 N ATOM 1228 CA THR A 82 -1.084 -3.356 -6.248 1.00 0.00 C ATOM 1229 C THR A 82 -0.766 -2.429 -5.082 1.00 0.00 C ATOM 1230 O THR A 82 -1.448 -2.442 -4.060 1.00 0.00 O ATOM 1231 CB THR A 82 -2.449 -3.008 -6.866 1.00 0.00 C ATOM 1232 OG1 THR A 82 -2.590 -3.685 -8.091 1.00 0.00 O ATOM 1233 CG2 THR A 82 -2.603 -1.520 -7.194 1.00 0.00 C ATOM 0 H THR A 82 -1.639 -5.000 -5.061 1.00 0.00 H new ATOM 0 HA THR A 82 -0.344 -3.213 -7.035 1.00 0.00 H new ATOM 0 HB THR A 82 -3.194 -3.295 -6.124 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.324 -4.331 -8.025 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.588 -1.343 -7.627 1.00 0.00 H new ATOM 0 HG22 THR A 82 -2.497 -0.933 -6.281 1.00 0.00 H new ATOM 0 HG23 THR A 82 -1.834 -1.223 -7.908 1.00 0.00 H new ATOM 1241 N LEU A 83 0.255 -1.593 -5.254 1.00 0.00 N ATOM 1242 CA LEU A 83 0.641 -0.528 -4.337 1.00 0.00 C ATOM 1243 C LEU A 83 0.084 0.790 -4.890 1.00 0.00 C ATOM 1244 O LEU A 83 0.443 1.200 -5.994 1.00 0.00 O ATOM 1245 CB LEU A 83 2.175 -0.477 -4.204 1.00 0.00 C ATOM 1246 CG LEU A 83 2.845 -1.575 -3.352 1.00 0.00 C ATOM 1247 CD1 LEU A 83 2.659 -3.001 -3.877 1.00 0.00 C ATOM 1248 CD2 LEU A 83 4.351 -1.307 -3.315 1.00 0.00 C ATOM 0 H LEU A 83 0.861 -1.643 -6.073 1.00 0.00 H new ATOM 0 HA LEU A 83 0.236 -0.706 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.603 -0.518 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.446 0.491 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 83 2.364 -1.525 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.165 -3.702 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.596 -3.239 -3.915 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.084 -3.079 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 83 4.842 -2.074 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 83 4.749 -1.328 -4.329 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.536 -0.328 -2.873 1.00 0.00 H new ATOM 1260 N ILE A 84 -0.778 1.463 -4.132 1.00 0.00 N ATOM 1261 CA ILE A 84 -1.349 2.774 -4.464 1.00 0.00 C ATOM 1262 C ILE A 84 -0.921 3.792 -3.398 1.00 0.00 C ATOM 1263 O ILE A 84 -1.107 3.593 -2.196 1.00 0.00 O ATOM 1264 CB ILE A 84 -2.878 2.667 -4.697 1.00 0.00 C ATOM 1265 CG1 ILE A 84 -3.518 4.001 -5.142 1.00 0.00 C ATOM 1266 CG2 ILE A 84 -3.635 2.123 -3.475 1.00 0.00 C ATOM 1267 CD1 ILE A 84 -3.201 4.375 -6.592 1.00 0.00 C ATOM 0 H ILE A 84 -1.112 1.102 -3.238 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.957 3.142 -5.412 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.977 1.950 -5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.599 3.935 -5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.171 4.799 -4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.700 2.072 -3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.267 1.126 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.476 2.785 -2.624 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -3.682 5.322 -6.837 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.122 4.473 -6.715 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -3.573 3.596 -7.258 1.00 0.00 H new ATOM 1279 N LEU A 85 -0.295 4.874 -3.848 1.00 0.00 N ATOM 1280 CA LEU A 85 0.271 5.933 -3.022 1.00 0.00 C ATOM 1281 C LEU A 85 -0.611 7.182 -3.142 1.00 0.00 C ATOM 1282 O LEU A 85 -0.866 7.663 -4.250 1.00 0.00 O ATOM 1283 CB LEU A 85 1.722 6.163 -3.490 1.00 0.00 C ATOM 1284 CG LEU A 85 2.568 7.109 -2.619 1.00 0.00 C ATOM 1285 CD1 LEU A 85 3.000 6.484 -1.298 1.00 0.00 C ATOM 1286 CD2 LEU A 85 3.850 7.470 -3.366 1.00 0.00 C ATOM 0 H LEU A 85 -0.163 5.044 -4.845 1.00 0.00 H new ATOM 0 HA LEU A 85 0.296 5.669 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.225 5.197 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.697 6.560 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 85 1.938 7.975 -2.412 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.593 7.203 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.118 6.207 -0.721 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.599 5.595 -1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.452 8.140 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.417 6.563 -3.576 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.598 7.965 -4.304 1.00 0.00 H new ATOM 1298 N PHE A 86 -1.058 7.711 -2.006 1.00 0.00 N ATOM 1299 CA PHE A 86 -1.814 8.962 -1.891 1.00 0.00 C ATOM 1300 C PHE A 86 -0.970 10.020 -1.171 1.00 0.00 C ATOM 1301 O PHE A 86 -0.085 9.679 -0.390 1.00 0.00 O ATOM 1302 CB PHE A 86 -3.145 8.734 -1.154 1.00 0.00 C ATOM 1303 CG PHE A 86 -4.155 7.855 -1.872 1.00 0.00 C ATOM 1304 CD1 PHE A 86 -4.004 6.454 -1.870 1.00 0.00 C ATOM 1305 CD2 PHE A 86 -5.272 8.431 -2.507 1.00 0.00 C ATOM 1306 CE1 PHE A 86 -4.949 5.646 -2.523 1.00 0.00 C ATOM 1307 CE2 PHE A 86 -6.210 7.620 -3.171 1.00 0.00 C ATOM 1308 CZ PHE A 86 -6.043 6.225 -3.188 1.00 0.00 C ATOM 0 H PHE A 86 -0.899 7.265 -1.103 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.046 9.321 -2.894 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.929 8.289 -0.183 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.605 9.704 -0.965 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.162 6.002 -1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -5.409 9.502 -2.484 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -4.834 4.572 -2.514 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.058 8.069 -3.667 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.753 5.600 -3.710 1.00 0.00 H new ATOM 1318 N LYS A 87 -1.255 11.302 -1.410 1.00 0.00 N ATOM 1319 CA LYS A 87 -0.645 12.461 -0.744 1.00 0.00 C ATOM 1320 C LYS A 87 -1.722 13.524 -0.518 1.00 0.00 C ATOM 1321 O LYS A 87 -2.447 13.864 -1.453 1.00 0.00 O ATOM 1322 CB LYS A 87 0.533 12.955 -1.602 1.00 0.00 C ATOM 1323 CG LYS A 87 1.560 13.811 -0.844 1.00 0.00 C ATOM 1324 CD LYS A 87 2.826 13.977 -1.709 1.00 0.00 C ATOM 1325 CE LYS A 87 4.006 14.628 -0.973 1.00 0.00 C ATOM 1326 NZ LYS A 87 3.775 16.072 -0.694 1.00 0.00 N ATOM 0 H LYS A 87 -1.949 11.576 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 87 -0.244 12.203 0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 87 1.043 12.091 -2.028 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.140 13.536 -2.436 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.135 14.787 -0.611 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.814 13.339 0.105 1.00 0.00 H new ATOM 0 HD2 LYS A 87 3.135 12.997 -2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 87 2.580 14.580 -2.583 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.179 14.103 -0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.910 14.517 -1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.599 16.466 -0.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 3.636 16.581 -1.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 2.928 16.180 -0.100 1.00 0.00 H new ATOM 1340 N ASP A 88 -1.883 13.996 0.720 1.00 0.00 N ATOM 1341 CA ASP A 88 -3.017 14.852 1.135 1.00 0.00 C ATOM 1342 C ASP A 88 -4.410 14.231 0.828 1.00 0.00 C ATOM 1343 O ASP A 88 -5.399 14.934 0.625 1.00 0.00 O ATOM 1344 CB ASP A 88 -2.801 16.278 0.584 1.00 0.00 C ATOM 1345 CG ASP A 88 -3.828 17.309 1.083 1.00 0.00 C ATOM 1346 OD1 ASP A 88 -3.871 17.583 2.305 1.00 0.00 O ATOM 1347 OD2 ASP A 88 -4.555 17.892 0.239 1.00 0.00 O ATOM 0 H ASP A 88 -1.228 13.798 1.476 1.00 0.00 H new ATOM 0 HA ASP A 88 -3.031 14.922 2.223 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -1.802 16.615 0.860 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -2.837 16.244 -0.505 1.00 0.00 H new ATOM 1352 N GLY A 89 -4.494 12.895 0.741 1.00 0.00 N ATOM 1353 CA GLY A 89 -5.685 12.150 0.312 1.00 0.00 C ATOM 1354 C GLY A 89 -6.007 12.196 -1.194 1.00 0.00 C ATOM 1355 O GLY A 89 -7.023 11.636 -1.602 1.00 0.00 O ATOM 0 H GLY A 89 -3.710 12.285 0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -5.561 11.107 0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.546 12.535 0.859 1.00 0.00 H new ATOM 1359 N GLN A 90 -5.159 12.797 -2.038 1.00 0.00 N ATOM 1360 CA GLN A 90 -5.225 12.666 -3.505 1.00 0.00 C ATOM 1361 C GLN A 90 -4.270 11.551 -3.980 1.00 0.00 C ATOM 1362 O GLN A 90 -3.162 11.456 -3.448 1.00 0.00 O ATOM 1363 CB GLN A 90 -4.860 13.993 -4.195 1.00 0.00 C ATOM 1364 CG GLN A 90 -5.925 15.099 -4.089 1.00 0.00 C ATOM 1365 CD GLN A 90 -6.057 15.725 -2.699 1.00 0.00 C ATOM 1366 OE1 GLN A 90 -7.080 15.613 -2.036 1.00 0.00 O ATOM 1367 NE2 GLN A 90 -5.051 16.439 -2.236 1.00 0.00 N ATOM 0 H GLN A 90 -4.397 13.396 -1.721 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.248 12.407 -3.777 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.929 14.364 -3.765 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.668 13.795 -5.250 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.686 15.885 -4.806 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -6.890 14.685 -4.380 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.197 16.534 -2.786 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -5.126 16.897 -1.327 1.00 0.00 H new ATOM 1376 N PRO A 91 -4.624 10.707 -4.968 1.00 0.00 N ATOM 1377 CA PRO A 91 -3.705 9.695 -5.495 1.00 0.00 C ATOM 1378 C PRO A 91 -2.532 10.349 -6.246 1.00 0.00 C ATOM 1379 O PRO A 91 -2.725 11.315 -6.992 1.00 0.00 O ATOM 1380 CB PRO A 91 -4.558 8.800 -6.400 1.00 0.00 C ATOM 1381 CG PRO A 91 -5.677 9.732 -6.868 1.00 0.00 C ATOM 1382 CD PRO A 91 -5.897 10.659 -5.671 1.00 0.00 C ATOM 0 HA PRO A 91 -3.240 9.109 -4.702 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.981 8.412 -7.239 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.952 7.940 -5.858 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -5.388 10.289 -7.759 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -6.582 9.178 -7.118 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.201 11.654 -5.997 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -6.688 10.280 -5.023 1.00 0.00 H new ATOM 1390 N VAL A 92 -1.317 9.816 -6.068 1.00 0.00 N ATOM 1391 CA VAL A 92 -0.074 10.360 -6.658 1.00 0.00 C ATOM 1392 C VAL A 92 0.768 9.341 -7.440 1.00 0.00 C ATOM 1393 O VAL A 92 1.461 9.745 -8.376 1.00 0.00 O ATOM 1394 CB VAL A 92 0.801 11.089 -5.611 1.00 0.00 C ATOM 1395 CG1 VAL A 92 0.132 12.378 -5.131 1.00 0.00 C ATOM 1396 CG2 VAL A 92 1.175 10.229 -4.399 1.00 0.00 C ATOM 0 H VAL A 92 -1.161 8.982 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.428 11.085 -7.391 1.00 0.00 H new ATOM 0 HB VAL A 92 1.729 11.321 -6.134 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.771 12.868 -4.396 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.023 13.045 -5.979 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.829 12.141 -4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.788 10.814 -3.713 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.268 9.905 -3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.735 9.355 -4.732 1.00 0.00 H new ATOM 1406 N LYS A 93 0.708 8.038 -7.116 1.00 0.00 N ATOM 1407 CA LYS A 93 1.411 6.971 -7.860 1.00 0.00 C ATOM 1408 C LYS A 93 0.734 5.612 -7.669 1.00 0.00 C ATOM 1409 O LYS A 93 0.235 5.327 -6.583 1.00 0.00 O ATOM 1410 CB LYS A 93 2.889 6.924 -7.416 1.00 0.00 C ATOM 1411 CG LYS A 93 3.703 5.829 -8.129 1.00 0.00 C ATOM 1412 CD LYS A 93 5.199 5.878 -7.810 1.00 0.00 C ATOM 1413 CE LYS A 93 5.858 7.118 -8.420 1.00 0.00 C ATOM 1414 NZ LYS A 93 7.329 7.049 -8.295 1.00 0.00 N ATOM 0 H LYS A 93 0.167 7.690 -6.325 1.00 0.00 H new ATOM 0 HA LYS A 93 1.365 7.200 -8.925 1.00 0.00 H new ATOM 0 HB2 LYS A 93 3.350 7.893 -7.608 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.933 6.757 -6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.311 4.852 -7.846 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.565 5.928 -9.206 1.00 0.00 H new ATOM 0 HD2 LYS A 93 5.343 5.882 -6.730 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.684 4.980 -8.193 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.582 7.202 -9.471 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.488 8.014 -7.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.746 7.949 -8.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 7.585 6.873 -7.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.692 6.276 -8.888 1.00 0.00 H new ATOM 1428 N ARG A 94 0.787 4.750 -8.689 1.00 0.00 N ATOM 1429 CA ARG A 94 0.433 3.322 -8.608 1.00 0.00 C ATOM 1430 C ARG A 94 1.551 2.434 -9.162 1.00 0.00 C ATOM 1431 O ARG A 94 2.162 2.764 -10.179 1.00 0.00 O ATOM 1432 CB ARG A 94 -0.900 3.073 -9.333 1.00 0.00 C ATOM 1433 CG ARG A 94 -1.487 1.692 -8.997 1.00 0.00 C ATOM 1434 CD ARG A 94 -2.811 1.434 -9.719 1.00 0.00 C ATOM 1435 NE ARG A 94 -2.627 1.284 -11.180 1.00 0.00 N ATOM 1436 CZ ARG A 94 -2.956 2.140 -12.133 1.00 0.00 C ATOM 1437 NH1 ARG A 94 -3.500 3.297 -11.883 1.00 0.00 N ATOM 1438 NH2 ARG A 94 -2.736 1.844 -13.381 1.00 0.00 N ATOM 0 H ARG A 94 1.086 5.031 -9.623 1.00 0.00 H new ATOM 0 HA ARG A 94 0.311 3.053 -7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.614 3.848 -9.056 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.748 3.150 -10.410 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.770 0.918 -9.270 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.642 1.617 -7.921 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -3.273 0.532 -9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -3.497 2.258 -9.523 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.193 0.414 -11.490 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.689 3.574 -10.920 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -3.737 3.926 -12.651 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.309 0.950 -13.626 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -2.990 2.505 -14.115 1.00 0.00 H new ATOM 1452 N ILE A 95 1.776 1.296 -8.511 1.00 0.00 N ATOM 1453 CA ILE A 95 2.665 0.206 -8.933 1.00 0.00 C ATOM 1454 C ILE A 95 1.879 -1.114 -8.858 1.00 0.00 C ATOM 1455 O ILE A 95 1.118 -1.321 -7.914 1.00 0.00 O ATOM 1456 CB ILE A 95 3.947 0.141 -8.057 1.00 0.00 C ATOM 1457 CG1 ILE A 95 4.647 1.501 -7.803 1.00 0.00 C ATOM 1458 CG2 ILE A 95 4.963 -0.808 -8.711 1.00 0.00 C ATOM 1459 CD1 ILE A 95 4.160 2.223 -6.536 1.00 0.00 C ATOM 0 H ILE A 95 1.318 1.094 -7.622 1.00 0.00 H new ATOM 0 HA ILE A 95 2.996 0.385 -9.956 1.00 0.00 H new ATOM 0 HB ILE A 95 3.608 -0.214 -7.084 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.722 1.337 -7.726 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.485 2.149 -8.664 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.863 -0.855 -8.098 1.00 0.00 H new ATOM 0 HG22 ILE A 95 4.529 -1.804 -8.795 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.219 -0.439 -9.704 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.696 3.166 -6.426 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.091 2.420 -6.618 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.348 1.595 -5.665 1.00 0.00 H new ATOM 1471 N VAL A 96 2.066 -2.025 -9.814 1.00 0.00 N ATOM 1472 CA VAL A 96 1.556 -3.411 -9.751 1.00 0.00 C ATOM 1473 C VAL A 96 2.662 -4.401 -10.125 1.00 0.00 C ATOM 1474 O VAL A 96 3.479 -4.133 -11.010 1.00 0.00 O ATOM 1475 CB VAL A 96 0.236 -3.609 -10.537 1.00 0.00 C ATOM 1476 CG1 VAL A 96 0.242 -2.927 -11.914 1.00 0.00 C ATOM 1477 CG2 VAL A 96 -0.153 -5.078 -10.754 1.00 0.00 C ATOM 0 H VAL A 96 2.583 -1.826 -10.670 1.00 0.00 H new ATOM 0 HA VAL A 96 1.276 -3.623 -8.719 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.502 -3.137 -9.888 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.711 -3.104 -12.412 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.392 -1.855 -11.788 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.050 -3.338 -12.520 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.088 -5.128 -11.312 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.632 -5.583 -11.316 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.280 -5.567 -9.788 1.00 0.00 H new ATOM 1487 N GLY A 97 2.707 -5.532 -9.417 1.00 0.00 N ATOM 1488 CA GLY A 97 3.846 -6.457 -9.407 1.00 0.00 C ATOM 1489 C GLY A 97 4.877 -6.112 -8.323 1.00 0.00 C ATOM 1490 O GLY A 97 4.967 -4.972 -7.860 1.00 0.00 O ATOM 0 H GLY A 97 1.937 -5.838 -8.822 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.483 -7.473 -9.248 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.331 -6.441 -10.383 1.00 0.00 H new ATOM 1494 N ALA A 98 5.642 -7.115 -7.888 1.00 0.00 N ATOM 1495 CA ALA A 98 6.613 -6.978 -6.801 1.00 0.00 C ATOM 1496 C ALA A 98 7.889 -6.226 -7.231 1.00 0.00 C ATOM 1497 O ALA A 98 8.400 -6.427 -8.340 1.00 0.00 O ATOM 1498 CB ALA A 98 6.935 -8.370 -6.247 1.00 0.00 C ATOM 0 H ALA A 98 5.604 -8.054 -8.284 1.00 0.00 H new ATOM 0 HA ALA A 98 6.168 -6.366 -6.016 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.658 -8.281 -5.436 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.022 -8.832 -5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.354 -8.989 -7.040 1.00 0.00 H new ATOM 1504 N LYS A 99 8.428 -5.397 -6.326 1.00 0.00 N ATOM 1505 CA LYS A 99 9.722 -4.700 -6.457 1.00 0.00 C ATOM 1506 C LYS A 99 10.568 -4.892 -5.191 1.00 0.00 C ATOM 1507 O LYS A 99 10.020 -4.940 -4.088 1.00 0.00 O ATOM 1508 CB LYS A 99 9.499 -3.208 -6.788 1.00 0.00 C ATOM 1509 CG LYS A 99 8.803 -3.017 -8.148 1.00 0.00 C ATOM 1510 CD LYS A 99 8.847 -1.568 -8.658 1.00 0.00 C ATOM 1511 CE LYS A 99 8.134 -1.496 -10.018 1.00 0.00 C ATOM 1512 NZ LYS A 99 8.375 -0.206 -10.725 1.00 0.00 N ATOM 0 H LYS A 99 7.958 -5.183 -5.446 1.00 0.00 H new ATOM 0 HA LYS A 99 10.279 -5.137 -7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 99 8.896 -2.749 -6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 99 10.459 -2.691 -6.796 1.00 0.00 H new ATOM 0 HG2 LYS A 99 9.275 -3.668 -8.884 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.763 -3.333 -8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.363 -0.902 -7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.880 -1.234 -8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.474 -2.319 -10.646 1.00 0.00 H new ATOM 0 HE3 LYS A 99 7.062 -1.630 -9.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 7.929 -0.236 -11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.966 0.574 -10.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.398 -0.055 -10.833 1.00 0.00 H new ATOM 1526 N GLY A 100 11.889 -5.004 -5.343 1.00 0.00 N ATOM 1527 CA GLY A 100 12.844 -5.105 -4.236 1.00 0.00 C ATOM 1528 C GLY A 100 13.131 -3.738 -3.617 1.00 0.00 C ATOM 1529 O GLY A 100 12.747 -2.710 -4.173 1.00 0.00 O ATOM 0 H GLY A 100 12.335 -5.028 -6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 100 12.448 -5.775 -3.473 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.774 -5.545 -4.596 1.00 0.00 H new ATOM 1533 N LYS A 101 13.834 -3.707 -2.481 1.00 0.00 N ATOM 1534 CA LYS A 101 14.120 -2.473 -1.711 1.00 0.00 C ATOM 1535 C LYS A 101 14.741 -1.353 -2.531 1.00 0.00 C ATOM 1536 O LYS A 101 14.394 -0.193 -2.335 1.00 0.00 O ATOM 1537 CB LYS A 101 15.028 -2.826 -0.521 1.00 0.00 C ATOM 1538 CG LYS A 101 15.165 -1.717 0.536 1.00 0.00 C ATOM 1539 CD LYS A 101 13.855 -1.427 1.285 1.00 0.00 C ATOM 1540 CE LYS A 101 13.993 -0.305 2.321 1.00 0.00 C ATOM 1541 NZ LYS A 101 15.043 -0.596 3.332 1.00 0.00 N ATOM 0 H LYS A 101 14.230 -4.546 -2.057 1.00 0.00 H new ATOM 0 HA LYS A 101 13.160 -2.085 -1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.639 -3.723 -0.038 1.00 0.00 H new ATOM 0 HB3 LYS A 101 16.020 -3.073 -0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 101 15.931 -2.003 1.256 1.00 0.00 H new ATOM 0 HG3 LYS A 101 15.509 -0.803 0.051 1.00 0.00 H new ATOM 0 HD2 LYS A 101 13.083 -1.156 0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.520 -2.336 1.784 1.00 0.00 H new ATOM 0 HE2 LYS A 101 14.231 0.629 1.812 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.037 -0.159 2.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.954 0.069 4.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 14.929 -1.569 3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 15.982 -0.492 2.897 1.00 0.00 H new ATOM 1555 N ALA A 102 15.603 -1.701 -3.478 1.00 0.00 N ATOM 1556 CA ALA A 102 16.252 -0.724 -4.355 1.00 0.00 C ATOM 1557 C ALA A 102 15.226 -0.013 -5.258 1.00 0.00 C ATOM 1558 O ALA A 102 15.160 1.220 -5.281 1.00 0.00 O ATOM 1559 CB ALA A 102 17.350 -1.433 -5.158 1.00 0.00 C ATOM 0 H ALA A 102 15.874 -2.667 -3.663 1.00 0.00 H new ATOM 0 HA ALA A 102 16.714 0.060 -3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 102 17.841 -0.715 -5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 102 18.084 -1.859 -4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 102 16.907 -2.229 -5.756 1.00 0.00 H new ATOM 1565 N ALA A 103 14.385 -0.790 -5.945 1.00 0.00 N ATOM 1566 CA ALA A 103 13.372 -0.304 -6.880 1.00 0.00 C ATOM 1567 C ALA A 103 12.146 0.309 -6.179 1.00 0.00 C ATOM 1568 O ALA A 103 11.673 1.367 -6.599 1.00 0.00 O ATOM 1569 CB ALA A 103 13.009 -1.462 -7.816 1.00 0.00 C ATOM 0 H ALA A 103 14.392 -1.807 -5.862 1.00 0.00 H new ATOM 0 HA ALA A 103 13.780 0.523 -7.461 1.00 0.00 H new ATOM 0 HB1 ALA A 103 12.253 -1.131 -8.528 1.00 0.00 H new ATOM 0 HB2 ALA A 103 13.899 -1.786 -8.356 1.00 0.00 H new ATOM 0 HB3 ALA A 103 12.617 -2.294 -7.231 1.00 0.00 H new ATOM 1575 N LEU A 104 11.668 -0.275 -5.071 1.00 0.00 N ATOM 1576 CA LEU A 104 10.603 0.327 -4.265 1.00 0.00 C ATOM 1577 C LEU A 104 11.088 1.628 -3.607 1.00 0.00 C ATOM 1578 O LEU A 104 10.339 2.603 -3.588 1.00 0.00 O ATOM 1579 CB LEU A 104 10.033 -0.700 -3.260 1.00 0.00 C ATOM 1580 CG LEU A 104 8.792 -0.212 -2.472 1.00 0.00 C ATOM 1581 CD1 LEU A 104 7.654 0.264 -3.380 1.00 0.00 C ATOM 1582 CD2 LEU A 104 8.229 -1.325 -1.590 1.00 0.00 C ATOM 0 H LEU A 104 12.006 -1.168 -4.713 1.00 0.00 H new ATOM 0 HA LEU A 104 9.774 0.608 -4.915 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.769 -1.609 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.816 -0.967 -2.550 1.00 0.00 H new ATOM 0 HG LEU A 104 9.147 0.626 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.814 0.593 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.002 1.094 -3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.335 -0.556 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.359 -0.955 -1.048 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.936 -2.170 -2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.990 -1.645 -0.878 1.00 0.00 H new ATOM 1594 N LEU A 105 12.354 1.720 -3.172 1.00 0.00 N ATOM 1595 CA LEU A 105 12.912 3.005 -2.744 1.00 0.00 C ATOM 1596 C LEU A 105 13.197 3.953 -3.915 1.00 0.00 C ATOM 1597 O LEU A 105 13.113 5.142 -3.674 1.00 0.00 O ATOM 1598 CB LEU A 105 14.105 2.857 -1.783 1.00 0.00 C ATOM 1599 CG LEU A 105 14.559 4.188 -1.122 1.00 0.00 C ATOM 1600 CD1 LEU A 105 13.466 4.872 -0.294 1.00 0.00 C ATOM 1601 CD2 LEU A 105 15.731 3.902 -0.183 1.00 0.00 C ATOM 0 H LEU A 105 12.999 0.932 -3.109 1.00 0.00 H new ATOM 0 HA LEU A 105 12.127 3.486 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 105 13.840 2.147 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 105 14.946 2.430 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 105 14.827 4.858 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 105 13.858 5.794 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 105 12.615 5.103 -0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.146 4.206 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 105 16.057 4.831 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 105 15.417 3.198 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 105 16.556 3.474 -0.751 1.00 0.00 H new ATOM 1613 N ARG A 106 13.432 3.543 -5.173 1.00 0.00 N ATOM 1614 CA ARG A 106 13.364 4.525 -6.291 1.00 0.00 C ATOM 1615 C ARG A 106 11.969 5.165 -6.335 1.00 0.00 C ATOM 1616 O ARG A 106 11.812 6.389 -6.242 1.00 0.00 O ATOM 1617 CB ARG A 106 13.695 3.922 -7.677 1.00 0.00 C ATOM 1618 CG ARG A 106 15.084 3.307 -7.921 1.00 0.00 C ATOM 1619 CD ARG A 106 16.265 4.101 -7.355 1.00 0.00 C ATOM 1620 NE ARG A 106 16.495 3.781 -5.934 1.00 0.00 N ATOM 1621 CZ ARG A 106 17.216 4.479 -5.079 1.00 0.00 C ATOM 1622 NH1 ARG A 106 17.831 5.577 -5.401 1.00 0.00 N ATOM 1623 NH2 ARG A 106 17.366 4.102 -3.848 1.00 0.00 N ATOM 0 H ARG A 106 13.661 2.587 -5.444 1.00 0.00 H new ATOM 0 HA ARG A 106 14.131 5.272 -6.086 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.954 3.149 -7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 106 13.550 4.708 -8.419 1.00 0.00 H new ATOM 0 HG2 ARG A 106 15.100 2.307 -7.488 1.00 0.00 H new ATOM 0 HG3 ARG A 106 15.228 3.192 -8.995 1.00 0.00 H new ATOM 0 HD2 ARG A 106 17.164 3.879 -7.930 1.00 0.00 H new ATOM 0 HD3 ARG A 106 16.073 5.169 -7.463 1.00 0.00 H new ATOM 0 HE ARG A 106 16.052 2.935 -5.577 1.00 0.00 H new ATOM 0 HH11 ARG A 106 17.768 5.936 -6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 106 18.377 6.080 -4.701 1.00 0.00 H new ATOM 0 HH21 ARG A 106 16.920 3.245 -3.519 1.00 0.00 H new ATOM 0 HH22 ARG A 106 17.930 4.662 -3.208 1.00 0.00 H new ATOM 1637 N GLU A 107 10.954 4.300 -6.391 1.00 0.00 N ATOM 1638 CA GLU A 107 9.544 4.673 -6.542 1.00 0.00 C ATOM 1639 C GLU A 107 9.019 5.546 -5.395 1.00 0.00 C ATOM 1640 O GLU A 107 8.172 6.410 -5.634 1.00 0.00 O ATOM 1641 CB GLU A 107 8.682 3.412 -6.677 1.00 0.00 C ATOM 1642 CG GLU A 107 8.928 2.671 -7.996 1.00 0.00 C ATOM 1643 CD GLU A 107 8.167 3.258 -9.197 1.00 0.00 C ATOM 1644 OE1 GLU A 107 8.049 4.503 -9.315 1.00 0.00 O ATOM 1645 OE2 GLU A 107 7.710 2.444 -10.037 1.00 0.00 O ATOM 0 H GLU A 107 11.093 3.291 -6.331 1.00 0.00 H new ATOM 0 HA GLU A 107 9.476 5.276 -7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.891 2.742 -5.843 1.00 0.00 H new ATOM 0 HB3 GLU A 107 7.629 3.686 -6.609 1.00 0.00 H new ATOM 0 HG2 GLU A 107 9.996 2.684 -8.214 1.00 0.00 H new ATOM 0 HG3 GLU A 107 8.641 1.627 -7.873 1.00 0.00 H new ATOM 1652 N LEU A 108 9.537 5.353 -4.178 1.00 0.00 N ATOM 1653 CA LEU A 108 9.170 6.121 -2.986 1.00 0.00 C ATOM 1654 C LEU A 108 10.136 7.264 -2.668 1.00 0.00 C ATOM 1655 O LEU A 108 9.683 8.284 -2.167 1.00 0.00 O ATOM 1656 CB LEU A 108 9.043 5.175 -1.787 1.00 0.00 C ATOM 1657 CG LEU A 108 7.953 4.106 -1.957 1.00 0.00 C ATOM 1658 CD1 LEU A 108 8.038 3.153 -0.772 1.00 0.00 C ATOM 1659 CD2 LEU A 108 6.542 4.693 -2.022 1.00 0.00 C ATOM 0 H LEU A 108 10.241 4.639 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 108 8.211 6.594 -3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 108 10.001 4.682 -1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.828 5.762 -0.894 1.00 0.00 H new ATOM 0 HG LEU A 108 8.129 3.598 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.273 2.383 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 108 9.023 2.686 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.880 3.707 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.818 3.887 -2.142 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.331 5.236 -1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.470 5.375 -2.869 1.00 0.00 H new ATOM 1671 N SER A 109 11.426 7.165 -3.000 1.00 0.00 N ATOM 1672 CA SER A 109 12.386 8.284 -2.899 1.00 0.00 C ATOM 1673 C SER A 109 11.958 9.448 -3.806 1.00 0.00 C ATOM 1674 O SER A 109 12.120 10.618 -3.456 1.00 0.00 O ATOM 1675 CB SER A 109 13.814 7.858 -3.257 1.00 0.00 C ATOM 1676 OG SER A 109 14.730 8.921 -3.089 1.00 0.00 O ATOM 0 H SER A 109 11.843 6.303 -3.350 1.00 0.00 H new ATOM 0 HA SER A 109 12.382 8.608 -1.858 1.00 0.00 H new ATOM 0 HB2 SER A 109 14.112 7.017 -2.630 1.00 0.00 H new ATOM 0 HB3 SER A 109 13.843 7.511 -4.290 1.00 0.00 H new ATOM 0 HG SER A 109 15.631 8.616 -3.324 1.00 0.00 H new ATOM 1682 N ASP A 110 11.289 9.132 -4.924 1.00 0.00 N ATOM 1683 CA ASP A 110 10.565 10.100 -5.767 1.00 0.00 C ATOM 1684 C ASP A 110 9.503 10.955 -5.010 1.00 0.00 C ATOM 1685 O ASP A 110 9.113 12.022 -5.489 1.00 0.00 O ATOM 1686 CB ASP A 110 9.932 9.286 -6.906 1.00 0.00 C ATOM 1687 CG ASP A 110 9.337 10.112 -8.056 1.00 0.00 C ATOM 1688 OD1 ASP A 110 9.947 11.119 -8.488 1.00 0.00 O ATOM 1689 OD2 ASP A 110 8.289 9.675 -8.590 1.00 0.00 O ATOM 0 H ASP A 110 11.234 8.177 -5.277 1.00 0.00 H new ATOM 0 HA ASP A 110 11.268 10.846 -6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 110 10.689 8.617 -7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.145 8.659 -6.487 1.00 0.00 H new ATOM 1694 N VAL A 111 9.062 10.527 -3.816 1.00 0.00 N ATOM 1695 CA VAL A 111 8.155 11.228 -2.880 1.00 0.00 C ATOM 1696 C VAL A 111 8.827 11.537 -1.521 1.00 0.00 C ATOM 1697 O VAL A 111 8.376 12.428 -0.798 1.00 0.00 O ATOM 1698 CB VAL A 111 6.868 10.378 -2.727 1.00 0.00 C ATOM 1699 CG1 VAL A 111 5.923 10.847 -1.618 1.00 0.00 C ATOM 1700 CG2 VAL A 111 6.083 10.427 -4.049 1.00 0.00 C ATOM 0 H VAL A 111 9.347 9.619 -3.450 1.00 0.00 H new ATOM 0 HA VAL A 111 7.897 12.205 -3.289 1.00 0.00 H new ATOM 0 HB VAL A 111 7.204 9.375 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.050 10.195 -1.584 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.441 10.811 -0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.604 11.869 -1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 111 5.174 9.832 -3.955 1.00 0.00 H new ATOM 0 HG22 VAL A 111 5.819 11.460 -4.277 1.00 0.00 H new ATOM 0 HG23 VAL A 111 6.699 10.024 -4.853 1.00 0.00 H new ATOM 1710 N VAL A 112 9.925 10.851 -1.184 1.00 0.00 N ATOM 1711 CA VAL A 112 10.643 10.883 0.104 1.00 0.00 C ATOM 1712 C VAL A 112 12.121 11.265 -0.113 1.00 0.00 C ATOM 1713 O VAL A 112 12.972 10.386 -0.250 1.00 0.00 O ATOM 1714 CB VAL A 112 10.494 9.522 0.837 1.00 0.00 C ATOM 1715 CG1 VAL A 112 11.183 9.541 2.209 1.00 0.00 C ATOM 1716 CG2 VAL A 112 9.017 9.172 1.076 1.00 0.00 C ATOM 0 H VAL A 112 10.369 10.214 -1.846 1.00 0.00 H new ATOM 0 HA VAL A 112 10.201 11.648 0.742 1.00 0.00 H new ATOM 0 HB VAL A 112 10.961 8.780 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.058 8.572 2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.245 9.748 2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.736 10.317 2.830 1.00 0.00 H new ATOM 0 HG21 VAL A 112 8.949 8.214 1.591 1.00 0.00 H new ATOM 0 HG22 VAL A 112 8.554 9.946 1.688 1.00 0.00 H new ATOM 0 HG23 VAL A 112 8.499 9.107 0.119 1.00 0.00 H new