USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 65 GLN : amide:sc= -0.0105 X(o=-0.13,f=-0.27) USER MOD Set 1.2: A 67 ASN : amide:sc= -0.12 K(o=-0.13,f=-1.1) USER MOD Set 2.1: A 17 THR OG1 : rot 153:sc= 0.433! USER MOD Set 2.2: A 20 SER OG : rot 73:sc= 0.843 USER MOD Single : A 12 CYS SG : rot 150:sc= -6.51! USER MOD Single : A 13 HIS : no HE2:sc= -6.66! C(o=-6.7!,f=-5.7!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= -5.43! C(o=-5.4!,f=-3.7!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 115:sc= 1.28 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= -0.0567 (180deg=-0.39) USER MOD Single : A 29 SER OG : rot 180:sc= -0.0594 USER MOD Single : A 30 SER OG : rot -93:sc= -1.29! USER MOD Single : A 33 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.16) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -116:sc= -0.6 (180deg=-6.53!) USER MOD Single : A 44 GLN : amide:sc=-0.00189 X(o=-0.0019,f=-0.16) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.129! USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= 0.284 K(o=0.28,f=-2!) USER MOD Single : A 82 TYR OH : rot 180:sc= -1.13 USER MOD Single : A 84 TYR OH : rot 30:sc= -1.14 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc=-0.00541 X(o=-0.0054,f=0) USER MOD ----------------------------------------------------------------- ATOM 96 N ILE A 10 -4.961 -15.607 -2.530 1.00 0.00 N ATOM 97 CA ILE A 10 -3.825 -14.704 -2.603 1.00 0.00 C ATOM 98 C ILE A 10 -4.080 -13.495 -1.701 1.00 0.00 C ATOM 99 O ILE A 10 -5.224 -13.208 -1.351 1.00 0.00 O ATOM 100 CB ILE A 10 -3.528 -14.334 -4.058 1.00 0.00 C ATOM 101 CG1 ILE A 10 -2.020 -14.249 -4.306 1.00 0.00 C ATOM 102 CG2 ILE A 10 -4.248 -13.043 -4.453 1.00 0.00 C ATOM 103 CD1 ILE A 10 -1.568 -15.311 -5.309 1.00 0.00 C ATOM 0 HA ILE A 10 -2.925 -15.194 -2.232 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.915 -15.127 -4.698 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.765 -13.258 -4.681 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.485 -14.381 -3.365 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.020 -12.802 -5.491 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.324 -13.177 -4.339 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.914 -12.229 -3.810 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.493 -15.228 -5.467 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.802 -16.302 -4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.086 -15.161 -6.256 1.00 0.00 H new ATOM 115 N PHE A 11 -2.996 -12.819 -1.351 1.00 0.00 N ATOM 116 CA PHE A 11 -3.088 -11.648 -0.496 1.00 0.00 C ATOM 117 C PHE A 11 -2.303 -10.475 -1.087 1.00 0.00 C ATOM 118 O PHE A 11 -1.449 -10.667 -1.951 1.00 0.00 O ATOM 119 CB PHE A 11 -2.474 -12.029 0.853 1.00 0.00 C ATOM 120 CG PHE A 11 -3.493 -12.155 1.987 1.00 0.00 C ATOM 121 CD1 PHE A 11 -4.115 -13.343 2.214 1.00 0.00 C ATOM 122 CD2 PHE A 11 -3.778 -11.079 2.768 1.00 0.00 C ATOM 123 CE1 PHE A 11 -5.061 -13.461 3.266 1.00 0.00 C ATOM 124 CE2 PHE A 11 -4.724 -11.196 3.821 1.00 0.00 C ATOM 125 CZ PHE A 11 -5.345 -12.385 4.048 1.00 0.00 C ATOM 0 H PHE A 11 -2.049 -13.060 -1.644 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.129 -11.341 -0.397 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.946 -12.977 0.746 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.731 -11.280 1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.889 -14.197 1.593 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.285 -10.135 2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.555 -14.405 3.445 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.950 -10.341 4.441 1.00 0.00 H new ATOM 0 HZ PHE A 11 -6.064 -12.475 4.849 1.00 0.00 H new ATOM 135 N CYS A 12 -2.621 -9.285 -0.598 1.00 0.00 N ATOM 136 CA CYS A 12 -1.957 -8.081 -1.066 1.00 0.00 C ATOM 137 C CYS A 12 -1.316 -7.386 0.137 1.00 0.00 C ATOM 138 O CYS A 12 -1.984 -6.650 0.861 1.00 0.00 O ATOM 139 CB CYS A 12 -2.921 -7.157 -1.813 1.00 0.00 C ATOM 140 SG CYS A 12 -2.183 -5.491 -1.987 1.00 0.00 S ATOM 0 H CYS A 12 -3.330 -9.129 0.118 1.00 0.00 H new ATOM 0 HA CYS A 12 -1.182 -8.347 -1.785 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -3.144 -7.569 -2.797 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.866 -7.091 -1.273 1.00 0.00 H new ATOM 0 HG CYS A 12 -2.621 -4.934 -3.077 1.00 0.00 H new ATOM 146 N HIS A 13 -0.029 -7.645 0.313 1.00 0.00 N ATOM 147 CA HIS A 13 0.709 -7.054 1.416 1.00 0.00 C ATOM 148 C HIS A 13 1.193 -5.657 1.020 1.00 0.00 C ATOM 149 O HIS A 13 2.079 -5.519 0.178 1.00 0.00 O ATOM 150 CB HIS A 13 1.849 -7.972 1.861 1.00 0.00 C ATOM 151 CG HIS A 13 1.439 -9.012 2.876 1.00 0.00 C ATOM 152 ND1 HIS A 13 1.539 -10.372 2.638 1.00 0.00 N ATOM 153 CD2 HIS A 13 0.929 -8.878 4.134 1.00 0.00 C ATOM 154 CE1 HIS A 13 1.105 -11.017 3.710 1.00 0.00 C ATOM 155 NE2 HIS A 13 0.727 -10.090 4.636 1.00 0.00 N ATOM 0 H HIS A 13 0.522 -8.256 -0.290 1.00 0.00 H new ATOM 0 HA HIS A 13 0.052 -6.942 2.279 1.00 0.00 H new ATOM 0 HB2 HIS A 13 2.259 -8.475 0.986 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.649 -7.363 2.283 1.00 0.00 H new ATOM 0 HD1 HIS A 13 1.888 -10.804 1.782 1.00 0.00 H new ATOM 0 HD2 HIS A 13 0.724 -7.944 4.636 1.00 0.00 H new ATOM 0 HE1 HIS A 13 1.059 -12.089 3.830 1.00 0.00 H new ATOM 163 N VAL A 14 0.589 -4.657 1.645 1.00 0.00 N ATOM 164 CA VAL A 14 0.947 -3.277 1.368 1.00 0.00 C ATOM 165 C VAL A 14 1.713 -2.704 2.562 1.00 0.00 C ATOM 166 O VAL A 14 1.252 -2.789 3.699 1.00 0.00 O ATOM 167 CB VAL A 14 -0.306 -2.471 1.020 1.00 0.00 C ATOM 168 CG1 VAL A 14 -1.231 -3.267 0.097 1.00 0.00 C ATOM 169 CG2 VAL A 14 -1.043 -2.028 2.286 1.00 0.00 C ATOM 0 H VAL A 14 -0.146 -4.775 2.342 1.00 0.00 H new ATOM 0 HA VAL A 14 1.605 -3.220 0.501 1.00 0.00 H new ATOM 0 HB VAL A 14 0.010 -1.575 0.486 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.114 -2.671 -0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.704 -3.509 -0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.535 -4.189 0.593 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.930 -1.457 2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.341 -2.906 2.860 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.384 -1.405 2.891 1.00 0.00 H new ATOM 179 N TYR A 15 2.871 -2.133 2.263 1.00 0.00 N ATOM 180 CA TYR A 15 3.706 -1.546 3.298 1.00 0.00 C ATOM 181 C TYR A 15 3.489 -0.034 3.385 1.00 0.00 C ATOM 182 O TYR A 15 3.722 0.687 2.416 1.00 0.00 O ATOM 183 CB TYR A 15 5.152 -1.819 2.879 1.00 0.00 C ATOM 184 CG TYR A 15 5.623 -3.247 3.163 1.00 0.00 C ATOM 185 CD1 TYR A 15 4.724 -4.293 3.117 1.00 0.00 C ATOM 186 CD2 TYR A 15 6.948 -3.488 3.466 1.00 0.00 C ATOM 187 CE1 TYR A 15 5.168 -5.636 3.384 1.00 0.00 C ATOM 188 CE2 TYR A 15 7.392 -4.832 3.733 1.00 0.00 C ATOM 189 CZ TYR A 15 6.480 -5.839 3.679 1.00 0.00 C ATOM 190 OH TYR A 15 6.899 -7.108 3.932 1.00 0.00 O ATOM 0 H TYR A 15 3.251 -2.064 1.319 1.00 0.00 H new ATOM 0 HA TYR A 15 3.466 -1.972 4.272 1.00 0.00 H new ATOM 0 HB2 TYR A 15 5.254 -1.619 1.812 1.00 0.00 H new ATOM 0 HB3 TYR A 15 5.808 -1.121 3.399 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.687 -4.104 2.881 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.651 -2.669 3.503 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.475 -6.464 3.351 1.00 0.00 H new ATOM 0 HE2 TYR A 15 8.426 -5.035 3.971 1.00 0.00 H new ATOM 0 HH TYR A 15 7.859 -7.103 4.127 1.00 0.00 H new ATOM 200 N ILE A 16 3.046 0.401 4.555 1.00 0.00 N ATOM 201 CA ILE A 16 2.796 1.815 4.782 1.00 0.00 C ATOM 202 C ILE A 16 4.131 2.556 4.878 1.00 0.00 C ATOM 203 O ILE A 16 4.394 3.472 4.100 1.00 0.00 O ATOM 204 CB ILE A 16 1.894 2.010 6.002 1.00 0.00 C ATOM 205 CG1 ILE A 16 0.678 1.084 5.940 1.00 0.00 C ATOM 206 CG2 ILE A 16 1.491 3.478 6.156 1.00 0.00 C ATOM 207 CD1 ILE A 16 0.162 0.762 7.343 1.00 0.00 C ATOM 0 H ILE A 16 2.854 -0.200 5.356 1.00 0.00 H new ATOM 0 HA ILE A 16 2.253 2.246 3.941 1.00 0.00 H new ATOM 0 HB ILE A 16 2.460 1.736 6.892 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.113 1.555 5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.945 0.161 5.426 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.850 3.590 7.031 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.385 4.089 6.281 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.951 3.802 5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.703 0.102 7.270 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.948 0.269 7.915 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.127 1.685 7.845 1.00 0.00 H new ATOM 219 N THR A 17 4.939 2.132 5.838 1.00 0.00 N ATOM 220 CA THR A 17 6.240 2.744 6.046 1.00 0.00 C ATOM 221 C THR A 17 7.356 1.745 5.730 1.00 0.00 C ATOM 222 O THR A 17 7.275 1.009 4.748 1.00 0.00 O ATOM 223 CB THR A 17 6.289 3.275 7.480 1.00 0.00 C ATOM 224 OG1 THR A 17 6.572 2.122 8.268 1.00 0.00 O ATOM 225 CG2 THR A 17 4.920 3.741 7.979 1.00 0.00 C ATOM 0 H THR A 17 4.718 1.372 6.481 1.00 0.00 H new ATOM 0 HA THR A 17 6.395 3.583 5.368 1.00 0.00 H new ATOM 0 HB THR A 17 6.996 4.102 7.536 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.035 2.392 9.088 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.011 4.108 9.001 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.552 4.542 7.337 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.220 2.906 7.954 1.00 0.00 H new ATOM 233 N GLU A 18 8.371 1.753 6.581 1.00 0.00 N ATOM 234 CA GLU A 18 9.502 0.857 6.404 1.00 0.00 C ATOM 235 C GLU A 18 9.248 -0.467 7.128 1.00 0.00 C ATOM 236 O GLU A 18 9.653 -1.526 6.651 1.00 0.00 O ATOM 237 CB GLU A 18 10.798 1.508 6.891 1.00 0.00 C ATOM 238 CG GLU A 18 10.756 1.753 8.400 1.00 0.00 C ATOM 239 CD GLU A 18 11.480 3.050 8.766 1.00 0.00 C ATOM 240 OE1 GLU A 18 12.335 3.470 7.957 1.00 0.00 O ATOM 241 OE2 GLU A 18 11.162 3.593 9.846 1.00 0.00 O ATOM 0 H GLU A 18 8.434 2.365 7.395 1.00 0.00 H new ATOM 0 HA GLU A 18 9.615 0.651 5.340 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.645 0.867 6.647 1.00 0.00 H new ATOM 0 HB3 GLU A 18 10.953 2.453 6.370 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.720 1.804 8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.219 0.915 8.921 1.00 0.00 H new ATOM 248 N HIS A 19 8.579 -0.364 8.267 1.00 0.00 N ATOM 249 CA HIS A 19 8.266 -1.540 9.060 1.00 0.00 C ATOM 250 C HIS A 19 6.768 -1.566 9.371 1.00 0.00 C ATOM 251 O HIS A 19 6.362 -1.987 10.453 1.00 0.00 O ATOM 252 CB HIS A 19 9.134 -1.592 10.319 1.00 0.00 C ATOM 253 CG HIS A 19 10.584 -1.246 10.081 1.00 0.00 C ATOM 254 ND1 HIS A 19 11.333 -0.498 10.972 1.00 0.00 N ATOM 255 CD2 HIS A 19 11.415 -1.553 9.043 1.00 0.00 C ATOM 256 CE1 HIS A 19 12.557 -0.366 10.483 1.00 0.00 C ATOM 257 NE2 HIS A 19 12.606 -1.021 9.288 1.00 0.00 N ATOM 0 H HIS A 19 8.245 0.516 8.659 1.00 0.00 H new ATOM 0 HA HIS A 19 8.499 -2.440 8.491 1.00 0.00 H new ATOM 0 HB2 HIS A 19 8.724 -0.905 11.059 1.00 0.00 H new ATOM 0 HB3 HIS A 19 9.076 -2.593 10.747 1.00 0.00 H new ATOM 0 HD2 HIS A 19 11.149 -2.131 8.170 1.00 0.00 H new ATOM 0 HE1 HIS A 19 13.373 0.167 10.949 1.00 0.00 H new ATOM 0 HE2 HIS A 19 13.424 -1.091 8.682 1.00 0.00 H new ATOM 265 N SER A 20 5.988 -1.110 8.402 1.00 0.00 N ATOM 266 CA SER A 20 4.543 -1.076 8.559 1.00 0.00 C ATOM 267 C SER A 20 3.866 -1.499 7.254 1.00 0.00 C ATOM 268 O SER A 20 4.244 -1.041 6.177 1.00 0.00 O ATOM 269 CB SER A 20 4.068 0.316 8.977 1.00 0.00 C ATOM 270 OG SER A 20 5.054 1.013 9.734 1.00 0.00 O ATOM 0 H SER A 20 6.328 -0.761 7.506 1.00 0.00 H new ATOM 0 HA SER A 20 4.267 -1.776 9.348 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.817 0.895 8.088 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.156 0.226 9.567 1.00 0.00 H new ATOM 0 HG SER A 20 5.778 1.302 9.140 1.00 0.00 H new ATOM 276 N TYR A 21 2.876 -2.369 7.394 1.00 0.00 N ATOM 277 CA TYR A 21 2.142 -2.859 6.240 1.00 0.00 C ATOM 278 C TYR A 21 0.795 -3.453 6.658 1.00 0.00 C ATOM 279 O TYR A 21 0.519 -3.597 7.848 1.00 0.00 O ATOM 280 CB TYR A 21 3.006 -3.964 5.629 1.00 0.00 C ATOM 281 CG TYR A 21 2.955 -5.288 6.394 1.00 0.00 C ATOM 282 CD1 TYR A 21 3.828 -5.514 7.439 1.00 0.00 C ATOM 283 CD2 TYR A 21 2.038 -6.256 6.040 1.00 0.00 C ATOM 284 CE1 TYR A 21 3.781 -6.760 8.160 1.00 0.00 C ATOM 285 CE2 TYR A 21 1.991 -7.502 6.760 1.00 0.00 C ATOM 286 CZ TYR A 21 2.864 -7.692 7.785 1.00 0.00 C ATOM 287 OH TYR A 21 2.820 -8.869 8.465 1.00 0.00 O ATOM 0 H TYR A 21 2.565 -2.747 8.289 1.00 0.00 H new ATOM 0 HA TYR A 21 1.943 -2.048 5.539 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.684 -4.137 4.602 1.00 0.00 H new ATOM 0 HB3 TYR A 21 4.040 -3.621 5.586 1.00 0.00 H new ATOM 0 HD1 TYR A 21 4.546 -4.757 7.716 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.355 -6.079 5.222 1.00 0.00 H new ATOM 0 HE1 TYR A 21 4.458 -6.950 8.980 1.00 0.00 H new ATOM 0 HE2 TYR A 21 1.279 -8.268 6.492 1.00 0.00 H new ATOM 0 HH TYR A 21 2.116 -9.438 8.089 1.00 0.00 H new ATOM 297 N VAL A 22 -0.007 -3.782 5.656 1.00 0.00 N ATOM 298 CA VAL A 22 -1.318 -4.357 5.905 1.00 0.00 C ATOM 299 C VAL A 22 -1.675 -5.315 4.766 1.00 0.00 C ATOM 300 O VAL A 22 -1.698 -4.918 3.602 1.00 0.00 O ATOM 301 CB VAL A 22 -2.350 -3.244 6.095 1.00 0.00 C ATOM 302 CG1 VAL A 22 -2.248 -2.204 4.978 1.00 0.00 C ATOM 303 CG2 VAL A 22 -3.766 -3.818 6.183 1.00 0.00 C ATOM 0 H VAL A 22 0.226 -3.661 4.670 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.311 -4.937 6.828 1.00 0.00 H new ATOM 0 HB VAL A 22 -2.132 -2.744 7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.993 -1.424 5.138 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -1.252 -1.761 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.426 -2.685 4.016 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.480 -3.006 6.318 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.998 -4.356 5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.830 -4.501 7.030 1.00 0.00 H new ATOM 313 N SER A 23 -1.943 -6.556 5.142 1.00 0.00 N ATOM 314 CA SER A 23 -2.297 -7.573 4.167 1.00 0.00 C ATOM 315 C SER A 23 -3.787 -7.481 3.832 1.00 0.00 C ATOM 316 O SER A 23 -4.593 -7.084 4.673 1.00 0.00 O ATOM 317 CB SER A 23 -1.955 -8.973 4.682 1.00 0.00 C ATOM 318 OG SER A 23 -3.056 -9.579 5.353 1.00 0.00 O ATOM 0 H SER A 23 -1.922 -6.881 6.109 1.00 0.00 H new ATOM 0 HA SER A 23 -1.716 -7.396 3.262 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.649 -9.602 3.846 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.105 -8.912 5.362 1.00 0.00 H new ATOM 0 HG SER A 23 -3.354 -10.365 4.849 1.00 0.00 H new ATOM 324 N VAL A 24 -4.109 -7.853 2.601 1.00 0.00 N ATOM 325 CA VAL A 24 -5.488 -7.816 2.145 1.00 0.00 C ATOM 326 C VAL A 24 -5.768 -9.050 1.284 1.00 0.00 C ATOM 327 O VAL A 24 -5.027 -9.338 0.346 1.00 0.00 O ATOM 328 CB VAL A 24 -5.762 -6.501 1.412 1.00 0.00 C ATOM 329 CG1 VAL A 24 -7.175 -6.484 0.827 1.00 0.00 C ATOM 330 CG2 VAL A 24 -5.536 -5.302 2.335 1.00 0.00 C ATOM 0 H VAL A 24 -3.438 -8.181 1.906 1.00 0.00 H new ATOM 0 HA VAL A 24 -6.172 -7.848 2.993 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.056 -6.425 0.585 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.344 -5.539 0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.287 -7.307 0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.903 -6.594 1.631 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -5.737 -4.380 1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -6.206 -5.371 3.192 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.503 -5.300 2.682 1.00 0.00 H new ATOM 340 N LYS A 25 -6.840 -9.745 1.635 1.00 0.00 N ATOM 341 CA LYS A 25 -7.227 -10.941 0.906 1.00 0.00 C ATOM 342 C LYS A 25 -8.042 -10.541 -0.326 1.00 0.00 C ATOM 343 O LYS A 25 -9.238 -10.274 -0.223 1.00 0.00 O ATOM 344 CB LYS A 25 -7.952 -11.921 1.831 1.00 0.00 C ATOM 345 CG LYS A 25 -8.423 -13.156 1.060 1.00 0.00 C ATOM 346 CD LYS A 25 -7.270 -14.137 0.839 1.00 0.00 C ATOM 347 CE LYS A 25 -7.573 -15.493 1.478 1.00 0.00 C ATOM 348 NZ LYS A 25 -6.756 -16.556 0.852 1.00 0.00 N ATOM 0 H LYS A 25 -7.452 -9.503 2.414 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.345 -11.470 0.547 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.286 -12.224 2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.808 -11.427 2.291 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.224 -13.649 1.610 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -8.837 -12.853 0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.097 -14.265 -0.229 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.353 -13.728 1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.368 -15.451 2.548 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.632 -15.726 1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.975 -17.470 1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.971 -16.606 -0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.747 -16.340 0.982 1.00 0.00 H new ATOM 362 N ALA A 26 -7.361 -10.513 -1.462 1.00 0.00 N ATOM 363 CA ALA A 26 -8.007 -10.150 -2.712 1.00 0.00 C ATOM 364 C ALA A 26 -7.985 -11.351 -3.660 1.00 0.00 C ATOM 365 O ALA A 26 -7.476 -12.415 -3.309 1.00 0.00 O ATOM 366 CB ALA A 26 -7.312 -8.925 -3.309 1.00 0.00 C ATOM 0 H ALA A 26 -6.369 -10.736 -1.543 1.00 0.00 H new ATOM 0 HA ALA A 26 -9.050 -9.883 -2.541 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.797 -8.653 -4.247 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.380 -8.091 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.264 -9.157 -3.496 1.00 0.00 H new ATOM 372 N LYS A 27 -8.545 -11.142 -4.843 1.00 0.00 N ATOM 373 CA LYS A 27 -8.596 -12.194 -5.843 1.00 0.00 C ATOM 374 C LYS A 27 -7.303 -12.177 -6.662 1.00 0.00 C ATOM 375 O LYS A 27 -6.459 -11.302 -6.477 1.00 0.00 O ATOM 376 CB LYS A 27 -9.863 -12.066 -6.691 1.00 0.00 C ATOM 377 CG LYS A 27 -11.100 -11.902 -5.807 1.00 0.00 C ATOM 378 CD LYS A 27 -11.909 -13.200 -5.749 1.00 0.00 C ATOM 379 CE LYS A 27 -13.154 -13.110 -6.635 1.00 0.00 C ATOM 380 NZ LYS A 27 -14.112 -12.126 -6.083 1.00 0.00 N ATOM 0 H LYS A 27 -8.967 -10.259 -5.131 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.658 -13.172 -5.365 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.773 -11.209 -7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.975 -12.950 -7.319 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.796 -11.613 -4.801 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.724 -11.097 -6.195 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.287 -14.035 -6.073 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.205 -13.403 -4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.868 -12.820 -7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.629 -14.089 -6.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.075 -12.370 -6.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.065 -12.141 -5.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.869 -11.175 -6.427 1.00 0.00 H new ATOM 394 N VAL A 28 -7.190 -13.153 -7.550 1.00 0.00 N ATOM 395 CA VAL A 28 -6.015 -13.261 -8.398 1.00 0.00 C ATOM 396 C VAL A 28 -6.088 -12.203 -9.501 1.00 0.00 C ATOM 397 O VAL A 28 -5.104 -11.957 -10.196 1.00 0.00 O ATOM 398 CB VAL A 28 -5.892 -14.686 -8.943 1.00 0.00 C ATOM 399 CG1 VAL A 28 -5.901 -15.710 -7.806 1.00 0.00 C ATOM 400 CG2 VAL A 28 -6.998 -14.982 -9.957 1.00 0.00 C ATOM 0 H VAL A 28 -7.893 -13.877 -7.701 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.110 -13.068 -7.822 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.935 -14.767 -9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -5.812 -16.714 -8.220 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -5.062 -15.518 -7.137 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.835 -15.628 -7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.888 -16.001 -10.329 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -7.970 -14.874 -9.477 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.925 -14.282 -10.789 1.00 0.00 H new ATOM 410 N SER A 29 -7.264 -11.606 -9.627 1.00 0.00 N ATOM 411 CA SER A 29 -7.479 -10.581 -10.634 1.00 0.00 C ATOM 412 C SER A 29 -8.113 -9.344 -9.994 1.00 0.00 C ATOM 413 O SER A 29 -8.813 -8.585 -10.662 1.00 0.00 O ATOM 414 CB SER A 29 -8.360 -11.101 -11.771 1.00 0.00 C ATOM 415 OG SER A 29 -8.216 -12.506 -11.958 1.00 0.00 O ATOM 0 H SER A 29 -8.078 -11.813 -9.048 1.00 0.00 H new ATOM 0 HA SER A 29 -6.512 -10.309 -11.056 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.403 -10.869 -11.557 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.102 -10.584 -12.695 1.00 0.00 H new ATOM 0 HG SER A 29 -8.796 -12.800 -12.691 1.00 0.00 H new ATOM 421 N SER A 30 -7.845 -9.179 -8.707 1.00 0.00 N ATOM 422 CA SER A 30 -8.380 -8.048 -7.969 1.00 0.00 C ATOM 423 C SER A 30 -7.547 -6.796 -8.253 1.00 0.00 C ATOM 424 O SER A 30 -6.348 -6.890 -8.512 1.00 0.00 O ATOM 425 CB SER A 30 -8.412 -8.335 -6.467 1.00 0.00 C ATOM 426 OG SER A 30 -8.107 -7.176 -5.696 1.00 0.00 O ATOM 0 H SER A 30 -7.264 -9.811 -8.156 1.00 0.00 H new ATOM 0 HA SER A 30 -9.404 -7.878 -8.300 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.399 -8.706 -6.190 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.698 -9.124 -6.233 1.00 0.00 H new ATOM 0 HG SER A 30 -7.147 -7.157 -5.500 1.00 0.00 H new ATOM 432 N ILE A 31 -8.215 -5.654 -8.196 1.00 0.00 N ATOM 433 CA ILE A 31 -7.551 -4.385 -8.444 1.00 0.00 C ATOM 434 C ILE A 31 -7.000 -3.837 -7.126 1.00 0.00 C ATOM 435 O ILE A 31 -7.371 -4.306 -6.051 1.00 0.00 O ATOM 436 CB ILE A 31 -8.493 -3.420 -9.166 1.00 0.00 C ATOM 437 CG1 ILE A 31 -9.843 -3.333 -8.451 1.00 0.00 C ATOM 438 CG2 ILE A 31 -8.648 -3.803 -10.639 1.00 0.00 C ATOM 439 CD1 ILE A 31 -10.632 -2.108 -8.917 1.00 0.00 C ATOM 0 H ILE A 31 -9.210 -5.580 -7.982 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.701 -4.523 -9.112 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.049 -2.425 -9.138 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -10.420 -4.237 -8.645 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -9.685 -3.280 -7.374 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -9.323 -3.101 -11.128 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.674 -3.771 -11.128 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -9.058 -4.810 -10.712 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -11.587 -2.070 -8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -10.063 -1.204 -8.700 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -10.809 -2.176 -9.990 1.00 0.00 H new ATOM 451 N ALA A 32 -6.123 -2.852 -7.252 1.00 0.00 N ATOM 452 CA ALA A 32 -5.517 -2.235 -6.085 1.00 0.00 C ATOM 453 C ALA A 32 -6.610 -1.593 -5.227 1.00 0.00 C ATOM 454 O ALA A 32 -6.596 -1.715 -4.003 1.00 0.00 O ATOM 455 CB ALA A 32 -4.459 -1.224 -6.532 1.00 0.00 C ATOM 0 H ALA A 32 -5.818 -2.466 -8.145 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.014 -2.984 -5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.005 -0.761 -5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.690 -1.734 -7.113 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.927 -0.455 -7.147 1.00 0.00 H new ATOM 461 N GLN A 33 -7.532 -0.924 -5.904 1.00 0.00 N ATOM 462 CA GLN A 33 -8.630 -0.263 -5.220 1.00 0.00 C ATOM 463 C GLN A 33 -9.282 -1.217 -4.217 1.00 0.00 C ATOM 464 O GLN A 33 -9.597 -0.824 -3.095 1.00 0.00 O ATOM 465 CB GLN A 33 -9.659 0.268 -6.220 1.00 0.00 C ATOM 466 CG GLN A 33 -10.899 0.802 -5.499 1.00 0.00 C ATOM 467 CD GLN A 33 -10.784 2.307 -5.252 1.00 0.00 C ATOM 468 OE1 GLN A 33 -11.474 3.115 -5.852 1.00 0.00 O ATOM 469 NE2 GLN A 33 -9.877 2.637 -4.337 1.00 0.00 N ATOM 0 H GLN A 33 -7.541 -0.826 -6.919 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.230 0.591 -4.673 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.213 1.061 -6.820 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.948 -0.527 -6.907 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.788 0.595 -6.095 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.024 0.282 -4.549 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.333 1.910 -3.872 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.725 3.617 -4.100 1.00 0.00 H new ATOM 478 N GLU A 34 -9.465 -2.453 -4.658 1.00 0.00 N ATOM 479 CA GLU A 34 -10.073 -3.467 -3.813 1.00 0.00 C ATOM 480 C GLU A 34 -9.246 -3.665 -2.542 1.00 0.00 C ATOM 481 O GLU A 34 -9.720 -4.258 -1.574 1.00 0.00 O ATOM 482 CB GLU A 34 -10.238 -4.786 -4.571 1.00 0.00 C ATOM 483 CG GLU A 34 -11.351 -4.683 -5.615 1.00 0.00 C ATOM 484 CD GLU A 34 -12.537 -5.575 -5.243 1.00 0.00 C ATOM 485 OE1 GLU A 34 -13.186 -5.260 -4.222 1.00 0.00 O ATOM 486 OE2 GLU A 34 -12.767 -6.552 -5.987 1.00 0.00 O ATOM 0 H GLU A 34 -9.203 -2.775 -5.590 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.067 -3.124 -3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.300 -5.049 -5.059 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.467 -5.587 -3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -11.682 -3.648 -5.698 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.966 -4.973 -6.592 1.00 0.00 H new ATOM 493 N ILE A 35 -8.023 -3.157 -2.585 1.00 0.00 N ATOM 494 CA ILE A 35 -7.125 -3.271 -1.448 1.00 0.00 C ATOM 495 C ILE A 35 -7.111 -1.948 -0.680 1.00 0.00 C ATOM 496 O ILE A 35 -7.349 -1.924 0.527 1.00 0.00 O ATOM 497 CB ILE A 35 -5.739 -3.731 -1.904 1.00 0.00 C ATOM 498 CG1 ILE A 35 -5.846 -4.747 -3.043 1.00 0.00 C ATOM 499 CG2 ILE A 35 -4.926 -4.274 -0.727 1.00 0.00 C ATOM 500 CD1 ILE A 35 -6.625 -5.987 -2.601 1.00 0.00 C ATOM 0 H ILE A 35 -7.633 -2.666 -3.389 1.00 0.00 H new ATOM 0 HA ILE A 35 -7.479 -4.037 -0.758 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.203 -2.865 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.341 -4.288 -3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.848 -5.038 -3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.945 -4.594 -1.079 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.805 -3.492 0.023 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.448 -5.123 -0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.686 -6.693 -3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.114 -6.457 -1.761 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.631 -5.696 -2.297 1.00 0.00 H new ATOM 512 N LEU A 36 -6.830 -0.879 -1.411 1.00 0.00 N ATOM 513 CA LEU A 36 -6.782 0.445 -0.813 1.00 0.00 C ATOM 514 C LEU A 36 -8.062 0.683 -0.010 1.00 0.00 C ATOM 515 O LEU A 36 -8.015 1.230 1.091 1.00 0.00 O ATOM 516 CB LEU A 36 -6.522 1.507 -1.884 1.00 0.00 C ATOM 517 CG LEU A 36 -6.254 2.923 -1.372 1.00 0.00 C ATOM 518 CD1 LEU A 36 -4.847 3.037 -0.783 1.00 0.00 C ATOM 519 CD2 LEU A 36 -6.500 3.959 -2.471 1.00 0.00 C ATOM 0 H LEU A 36 -6.633 -0.903 -2.412 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.948 0.518 -0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.667 1.190 -2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.383 1.540 -2.551 1.00 0.00 H new ATOM 0 HG LEU A 36 -6.958 3.133 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.683 4.054 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.743 2.340 0.048 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.111 2.798 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.302 4.957 -2.081 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.837 3.761 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.536 3.898 -2.803 1.00 0.00 H new ATOM 531 N LYS A 37 -9.175 0.261 -0.591 1.00 0.00 N ATOM 532 CA LYS A 37 -10.466 0.422 0.058 1.00 0.00 C ATOM 533 C LYS A 37 -10.471 -0.360 1.373 1.00 0.00 C ATOM 534 O LYS A 37 -11.152 0.023 2.323 1.00 0.00 O ATOM 535 CB LYS A 37 -11.597 0.031 -0.895 1.00 0.00 C ATOM 536 CG LYS A 37 -11.495 -1.443 -1.291 1.00 0.00 C ATOM 537 CD LYS A 37 -12.624 -2.260 -0.658 1.00 0.00 C ATOM 538 CE LYS A 37 -12.640 -3.688 -1.206 1.00 0.00 C ATOM 539 NZ LYS A 37 -13.924 -4.352 -0.884 1.00 0.00 N ATOM 0 H LYS A 37 -9.210 -0.192 -1.504 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.639 1.469 0.308 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.560 0.218 -0.419 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.557 0.655 -1.788 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -11.538 -1.536 -2.376 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.531 -1.842 -0.975 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -12.498 -2.283 0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -13.582 -1.779 -0.857 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.493 -3.671 -2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.813 -4.256 -0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.919 -5.320 -1.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.049 -4.385 0.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -14.708 -3.818 -1.311 1.00 0.00 H new ATOM 553 N VAL A 38 -9.705 -1.441 1.385 1.00 0.00 N ATOM 554 CA VAL A 38 -9.614 -2.280 2.568 1.00 0.00 C ATOM 555 C VAL A 38 -8.562 -1.702 3.517 1.00 0.00 C ATOM 556 O VAL A 38 -8.827 -1.516 4.704 1.00 0.00 O ATOM 557 CB VAL A 38 -9.323 -3.726 2.162 1.00 0.00 C ATOM 558 CG1 VAL A 38 -9.489 -4.673 3.352 1.00 0.00 C ATOM 559 CG2 VAL A 38 -10.210 -4.156 0.991 1.00 0.00 C ATOM 0 H VAL A 38 -9.142 -1.755 0.595 1.00 0.00 H new ATOM 0 HA VAL A 38 -10.564 -2.292 3.103 1.00 0.00 H new ATOM 0 HB VAL A 38 -8.285 -3.779 1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.276 -5.694 3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.797 -4.387 4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.512 -4.614 3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -9.983 -5.188 0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.258 -4.079 1.281 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.022 -3.508 0.135 1.00 0.00 H new ATOM 569 N VAL A 39 -7.391 -1.434 2.959 1.00 0.00 N ATOM 570 CA VAL A 39 -6.298 -0.882 3.741 1.00 0.00 C ATOM 571 C VAL A 39 -6.772 0.393 4.442 1.00 0.00 C ATOM 572 O VAL A 39 -6.616 0.534 5.654 1.00 0.00 O ATOM 573 CB VAL A 39 -5.077 -0.654 2.847 1.00 0.00 C ATOM 574 CG1 VAL A 39 -3.927 -0.030 3.639 1.00 0.00 C ATOM 575 CG2 VAL A 39 -4.639 -1.957 2.176 1.00 0.00 C ATOM 0 H VAL A 39 -7.175 -1.589 1.974 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.990 -1.584 4.516 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.361 0.047 2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.072 0.122 2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.245 0.929 4.047 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.644 -0.696 4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.770 -1.768 1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.381 -2.691 2.940 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.454 -2.342 1.563 1.00 0.00 H new ATOM 585 N ALA A 40 -7.341 1.289 3.649 1.00 0.00 N ATOM 586 CA ALA A 40 -7.839 2.548 4.178 1.00 0.00 C ATOM 587 C ALA A 40 -8.507 2.298 5.532 1.00 0.00 C ATOM 588 O ALA A 40 -8.274 3.036 6.488 1.00 0.00 O ATOM 589 CB ALA A 40 -8.793 3.186 3.166 1.00 0.00 C ATOM 0 H ALA A 40 -7.468 1.168 2.644 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.019 3.248 4.339 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.166 4.130 3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.263 3.370 2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.631 2.513 2.982 1.00 0.00 H new ATOM 595 N GLU A 41 -9.324 1.256 5.569 1.00 0.00 N ATOM 596 CA GLU A 41 -10.028 0.900 6.790 1.00 0.00 C ATOM 597 C GLU A 41 -9.051 0.324 7.817 1.00 0.00 C ATOM 598 O GLU A 41 -9.155 0.612 9.008 1.00 0.00 O ATOM 599 CB GLU A 41 -11.163 -0.084 6.501 1.00 0.00 C ATOM 600 CG GLU A 41 -11.918 0.308 5.230 1.00 0.00 C ATOM 601 CD GLU A 41 -13.427 0.360 5.482 1.00 0.00 C ATOM 602 OE1 GLU A 41 -13.802 0.805 6.588 1.00 0.00 O ATOM 603 OE2 GLU A 41 -14.170 -0.047 4.563 1.00 0.00 O ATOM 0 H GLU A 41 -9.515 0.647 4.774 1.00 0.00 H new ATOM 0 HA GLU A 41 -10.472 1.804 7.207 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.758 -1.090 6.392 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -11.852 -0.108 7.345 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.570 1.280 4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.702 -0.410 4.439 1.00 0.00 H new ATOM 610 N LYS A 42 -8.123 -0.480 7.318 1.00 0.00 N ATOM 611 CA LYS A 42 -7.129 -1.099 8.177 1.00 0.00 C ATOM 612 C LYS A 42 -6.256 -0.011 8.805 1.00 0.00 C ATOM 613 O LYS A 42 -5.591 -0.249 9.813 1.00 0.00 O ATOM 614 CB LYS A 42 -6.335 -2.155 7.404 1.00 0.00 C ATOM 615 CG LYS A 42 -6.708 -3.566 7.863 1.00 0.00 C ATOM 616 CD LYS A 42 -8.212 -3.809 7.723 1.00 0.00 C ATOM 617 CE LYS A 42 -8.609 -3.958 6.253 1.00 0.00 C ATOM 618 NZ LYS A 42 -10.031 -3.597 6.061 1.00 0.00 N ATOM 0 H LYS A 42 -8.039 -0.717 6.329 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.612 -1.633 8.995 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.530 -2.053 6.336 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -5.267 -1.992 7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.161 -4.301 7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.409 -3.705 8.902 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.491 -4.708 8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.761 -2.980 8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.979 -3.320 5.634 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.441 -4.984 5.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.562 -4.433 5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.427 -3.256 6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.105 -2.847 5.344 1.00 0.00 H new ATOM 632 N ILE A 43 -6.285 1.159 8.185 1.00 0.00 N ATOM 633 CA ILE A 43 -5.505 2.284 8.670 1.00 0.00 C ATOM 634 C ILE A 43 -6.449 3.418 9.072 1.00 0.00 C ATOM 635 O ILE A 43 -6.002 4.482 9.499 1.00 0.00 O ATOM 636 CB ILE A 43 -4.456 2.695 7.636 1.00 0.00 C ATOM 637 CG1 ILE A 43 -4.962 3.849 6.769 1.00 0.00 C ATOM 638 CG2 ILE A 43 -4.017 1.495 6.793 1.00 0.00 C ATOM 639 CD1 ILE A 43 -3.870 4.342 5.818 1.00 0.00 C ATOM 0 H ILE A 43 -6.837 1.352 7.350 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.946 2.003 9.562 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.575 3.055 8.168 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.829 3.523 6.195 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.292 4.670 7.406 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.271 1.815 6.066 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.587 0.732 7.442 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.880 1.083 6.270 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.257 5.162 5.214 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.014 4.690 6.396 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.560 3.526 5.166 1.00 0.00 H new ATOM 651 N GLN A 44 -7.739 3.154 8.921 1.00 0.00 N ATOM 652 CA GLN A 44 -8.750 4.139 9.263 1.00 0.00 C ATOM 653 C GLN A 44 -8.486 5.451 8.520 1.00 0.00 C ATOM 654 O GLN A 44 -8.201 6.474 9.141 1.00 0.00 O ATOM 655 CB GLN A 44 -8.805 4.367 10.775 1.00 0.00 C ATOM 656 CG GLN A 44 -8.716 3.041 11.532 1.00 0.00 C ATOM 657 CD GLN A 44 -9.039 3.234 13.015 1.00 0.00 C ATOM 658 OE1 GLN A 44 -10.042 3.821 13.387 1.00 0.00 O ATOM 659 NE2 GLN A 44 -8.137 2.708 13.839 1.00 0.00 N ATOM 0 H GLN A 44 -8.107 2.271 8.566 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.722 3.756 8.951 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.986 5.019 11.078 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -9.732 4.878 11.036 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.409 2.322 11.096 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.715 2.624 11.425 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.319 2.229 13.461 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.263 2.783 14.848 1.00 0.00 H new ATOM 668 N TYR A 45 -8.589 5.378 7.201 1.00 0.00 N ATOM 669 CA TYR A 45 -8.364 6.547 6.368 1.00 0.00 C ATOM 670 C TYR A 45 -9.320 6.560 5.173 1.00 0.00 C ATOM 671 O TYR A 45 -10.333 5.862 5.176 1.00 0.00 O ATOM 672 CB TYR A 45 -6.928 6.429 5.855 1.00 0.00 C ATOM 673 CG TYR A 45 -5.988 7.516 6.380 1.00 0.00 C ATOM 674 CD1 TYR A 45 -5.366 7.358 7.602 1.00 0.00 C ATOM 675 CD2 TYR A 45 -5.763 8.654 5.633 1.00 0.00 C ATOM 676 CE1 TYR A 45 -4.481 8.381 8.097 1.00 0.00 C ATOM 677 CE2 TYR A 45 -4.878 9.677 6.128 1.00 0.00 C ATOM 678 CZ TYR A 45 -4.281 9.490 7.335 1.00 0.00 C ATOM 679 OH TYR A 45 -3.446 10.456 7.802 1.00 0.00 O ATOM 0 H TYR A 45 -8.825 4.528 6.689 1.00 0.00 H new ATOM 0 HA TYR A 45 -8.531 7.462 6.937 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.532 5.453 6.136 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.938 6.467 4.766 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -5.543 6.467 8.187 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.250 8.778 4.677 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.988 8.270 9.051 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -4.693 10.572 5.553 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.398 11.189 7.153 1.00 0.00 H new ATOM 689 N ALA A 46 -8.965 7.362 4.180 1.00 0.00 N ATOM 690 CA ALA A 46 -9.778 7.476 2.982 1.00 0.00 C ATOM 691 C ALA A 46 -8.990 6.945 1.783 1.00 0.00 C ATOM 692 O ALA A 46 -8.048 7.587 1.321 1.00 0.00 O ATOM 693 CB ALA A 46 -10.213 8.931 2.796 1.00 0.00 C ATOM 0 H ALA A 46 -8.124 7.940 4.181 1.00 0.00 H new ATOM 0 HA ALA A 46 -10.683 6.875 3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.823 9.016 1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -10.795 9.250 3.661 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -9.332 9.565 2.698 1.00 0.00 H new ATOM 699 N GLU A 47 -9.404 5.777 1.314 1.00 0.00 N ATOM 700 CA GLU A 47 -8.748 5.152 0.177 1.00 0.00 C ATOM 701 C GLU A 47 -8.532 6.176 -0.939 1.00 0.00 C ATOM 702 O GLU A 47 -7.476 6.198 -1.570 1.00 0.00 O ATOM 703 CB GLU A 47 -9.551 3.952 -0.327 1.00 0.00 C ATOM 704 CG GLU A 47 -11.015 4.329 -0.558 1.00 0.00 C ATOM 705 CD GLU A 47 -11.800 3.151 -1.139 1.00 0.00 C ATOM 706 OE1 GLU A 47 -11.661 2.923 -2.360 1.00 0.00 O ATOM 707 OE2 GLU A 47 -12.522 2.505 -0.349 1.00 0.00 O ATOM 0 H GLU A 47 -10.185 5.247 1.700 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.774 4.785 0.500 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.116 3.583 -1.256 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.491 3.140 0.397 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.466 4.642 0.383 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.072 5.179 -1.238 1.00 0.00 H new ATOM 714 N GLU A 48 -9.549 6.998 -1.149 1.00 0.00 N ATOM 715 CA GLU A 48 -9.483 8.021 -2.179 1.00 0.00 C ATOM 716 C GLU A 48 -8.325 8.981 -1.901 1.00 0.00 C ATOM 717 O GLU A 48 -7.798 9.607 -2.819 1.00 0.00 O ATOM 718 CB GLU A 48 -10.809 8.778 -2.285 1.00 0.00 C ATOM 719 CG GLU A 48 -11.099 9.558 -1.001 1.00 0.00 C ATOM 720 CD GLU A 48 -12.583 9.918 -0.902 1.00 0.00 C ATOM 721 OE1 GLU A 48 -13.397 8.969 -0.882 1.00 0.00 O ATOM 722 OE2 GLU A 48 -12.870 11.133 -0.849 1.00 0.00 O ATOM 0 H GLU A 48 -10.423 6.977 -0.624 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.303 7.533 -3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.774 9.464 -3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.619 8.075 -2.478 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.807 8.963 -0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -10.498 10.467 -0.980 1.00 0.00 H new ATOM 729 N ASP A 49 -7.962 9.067 -0.629 1.00 0.00 N ATOM 730 CA ASP A 49 -6.875 9.940 -0.218 1.00 0.00 C ATOM 731 C ASP A 49 -5.569 9.144 -0.193 1.00 0.00 C ATOM 732 O ASP A 49 -4.496 9.711 0.008 1.00 0.00 O ATOM 733 CB ASP A 49 -7.117 10.497 1.186 1.00 0.00 C ATOM 734 CG ASP A 49 -8.349 11.394 1.323 1.00 0.00 C ATOM 735 OD1 ASP A 49 -8.842 11.846 0.267 1.00 0.00 O ATOM 736 OD2 ASP A 49 -8.770 11.607 2.480 1.00 0.00 O ATOM 0 H ASP A 49 -8.401 8.547 0.130 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.818 10.765 -0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.215 9.662 1.880 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.238 11.064 1.492 1.00 0.00 H new ATOM 741 N LEU A 50 -5.703 7.842 -0.399 1.00 0.00 N ATOM 742 CA LEU A 50 -4.546 6.962 -0.402 1.00 0.00 C ATOM 743 C LEU A 50 -4.256 6.515 -1.836 1.00 0.00 C ATOM 744 O LEU A 50 -4.955 6.909 -2.768 1.00 0.00 O ATOM 745 CB LEU A 50 -4.753 5.802 0.574 1.00 0.00 C ATOM 746 CG LEU A 50 -4.944 6.188 2.042 1.00 0.00 C ATOM 747 CD1 LEU A 50 -5.068 4.944 2.924 1.00 0.00 C ATOM 748 CD2 LEU A 50 -3.824 7.116 2.516 1.00 0.00 C ATOM 0 H LEU A 50 -6.595 7.375 -0.565 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.662 7.492 -0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.625 5.233 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.894 5.135 0.503 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.879 6.741 2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.203 5.246 3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.927 4.355 2.603 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.163 4.344 2.836 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.984 7.375 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.864 6.611 2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.825 8.024 1.913 1.00 0.00 H new ATOM 760 N ALA A 51 -3.222 5.697 -1.969 1.00 0.00 N ATOM 761 CA ALA A 51 -2.830 5.191 -3.273 1.00 0.00 C ATOM 762 C ALA A 51 -1.786 4.086 -3.095 1.00 0.00 C ATOM 763 O ALA A 51 -0.944 4.162 -2.202 1.00 0.00 O ATOM 764 CB ALA A 51 -2.314 6.346 -4.135 1.00 0.00 C ATOM 0 H ALA A 51 -2.644 5.372 -1.194 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.686 4.756 -3.788 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.020 5.966 -5.114 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.102 7.090 -4.256 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.453 6.805 -3.650 1.00 0.00 H new ATOM 770 N LEU A 52 -1.877 3.086 -3.959 1.00 0.00 N ATOM 771 CA LEU A 52 -0.951 1.967 -3.908 1.00 0.00 C ATOM 772 C LEU A 52 0.326 2.332 -4.668 1.00 0.00 C ATOM 773 O LEU A 52 0.297 2.520 -5.883 1.00 0.00 O ATOM 774 CB LEU A 52 -1.625 0.691 -4.416 1.00 0.00 C ATOM 775 CG LEU A 52 -2.885 0.254 -3.667 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.802 0.633 -2.186 1.00 0.00 C ATOM 777 CD2 LEU A 52 -4.142 0.818 -4.333 1.00 0.00 C ATOM 0 H LEU A 52 -2.577 3.027 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.661 1.759 -2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.881 0.833 -5.466 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.900 -0.122 -4.372 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.953 -0.833 -3.718 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.710 0.311 -1.677 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.939 0.144 -1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.697 1.714 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.024 0.492 -3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.096 1.907 -4.334 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.203 0.457 -5.360 1.00 0.00 H new ATOM 789 N VAL A 53 1.416 2.422 -3.920 1.00 0.00 N ATOM 790 CA VAL A 53 2.701 2.762 -4.508 1.00 0.00 C ATOM 791 C VAL A 53 3.672 1.597 -4.307 1.00 0.00 C ATOM 792 O VAL A 53 3.922 1.180 -3.177 1.00 0.00 O ATOM 793 CB VAL A 53 3.214 4.077 -3.919 1.00 0.00 C ATOM 794 CG1 VAL A 53 2.083 5.098 -3.788 1.00 0.00 C ATOM 795 CG2 VAL A 53 3.901 3.844 -2.572 1.00 0.00 C ATOM 0 H VAL A 53 1.436 2.265 -2.912 1.00 0.00 H new ATOM 0 HA VAL A 53 2.601 2.920 -5.582 1.00 0.00 H new ATOM 0 HB VAL A 53 3.955 4.485 -4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.475 6.024 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.658 5.298 -4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.308 4.701 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.256 4.795 -2.175 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.191 3.402 -1.873 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.746 3.169 -2.707 1.00 0.00 H new ATOM 805 N ALA A 54 4.194 1.104 -5.420 1.00 0.00 N ATOM 806 CA ALA A 54 5.133 -0.004 -5.381 1.00 0.00 C ATOM 807 C ALA A 54 6.559 0.537 -5.499 1.00 0.00 C ATOM 808 O ALA A 54 6.775 1.611 -6.058 1.00 0.00 O ATOM 809 CB ALA A 54 4.793 -1.001 -6.491 1.00 0.00 C ATOM 0 H ALA A 54 3.984 1.452 -6.356 1.00 0.00 H new ATOM 0 HA ALA A 54 5.060 -0.536 -4.432 1.00 0.00 H new ATOM 0 HB1 ALA A 54 5.497 -1.832 -6.462 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.781 -1.378 -6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.858 -0.504 -7.459 1.00 0.00 H new ATOM 815 N ILE A 55 7.496 -0.232 -4.964 1.00 0.00 N ATOM 816 CA ILE A 55 8.895 0.156 -5.002 1.00 0.00 C ATOM 817 C ILE A 55 9.711 -0.956 -5.665 1.00 0.00 C ATOM 818 O ILE A 55 9.296 -2.114 -5.674 1.00 0.00 O ATOM 819 CB ILE A 55 9.387 0.528 -3.602 1.00 0.00 C ATOM 820 CG1 ILE A 55 8.353 1.382 -2.867 1.00 0.00 C ATOM 821 CG2 ILE A 55 10.755 1.210 -3.665 1.00 0.00 C ATOM 822 CD1 ILE A 55 9.008 2.194 -1.748 1.00 0.00 C ATOM 0 H ILE A 55 7.313 -1.123 -4.502 1.00 0.00 H new ATOM 0 HA ILE A 55 9.025 1.052 -5.609 1.00 0.00 H new ATOM 0 HB ILE A 55 9.512 -0.390 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.865 2.055 -3.572 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.577 0.741 -2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.082 1.464 -2.657 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.478 0.534 -4.121 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.681 2.119 -4.262 1.00 0.00 H new ATOM 0 HD11 ILE A 55 8.251 2.792 -1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.474 1.517 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.766 2.852 -2.172 1.00 0.00 H new ATOM 834 N THR A 56 10.856 -0.565 -6.205 1.00 0.00 N ATOM 835 CA THR A 56 11.733 -1.515 -6.869 1.00 0.00 C ATOM 836 C THR A 56 12.994 -1.749 -6.035 1.00 0.00 C ATOM 837 O THR A 56 13.103 -1.253 -4.914 1.00 0.00 O ATOM 838 CB THR A 56 12.024 -0.987 -8.275 1.00 0.00 C ATOM 839 OG1 THR A 56 12.905 -1.957 -8.835 1.00 0.00 O ATOM 840 CG2 THR A 56 12.850 0.301 -8.257 1.00 0.00 C ATOM 0 H THR A 56 11.197 0.396 -6.196 1.00 0.00 H new ATOM 0 HA THR A 56 11.258 -2.492 -6.965 1.00 0.00 H new ATOM 0 HB THR A 56 11.084 -0.808 -8.797 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.143 -1.694 -9.748 1.00 0.00 H new ATOM 0 HG21 THR A 56 13.028 0.633 -9.280 1.00 0.00 H new ATOM 0 HG22 THR A 56 12.307 1.074 -7.714 1.00 0.00 H new ATOM 0 HG23 THR A 56 13.804 0.114 -7.764 1.00 0.00 H new ATOM 848 N PHE A 57 13.916 -2.505 -6.613 1.00 0.00 N ATOM 849 CA PHE A 57 15.165 -2.811 -5.937 1.00 0.00 C ATOM 850 C PHE A 57 16.026 -1.556 -5.783 1.00 0.00 C ATOM 851 O PHE A 57 16.432 -1.210 -4.674 1.00 0.00 O ATOM 852 CB PHE A 57 15.910 -3.823 -6.811 1.00 0.00 C ATOM 853 CG PHE A 57 17.415 -3.888 -6.541 1.00 0.00 C ATOM 854 CD1 PHE A 57 17.878 -4.497 -5.417 1.00 0.00 C ATOM 855 CD2 PHE A 57 18.288 -3.338 -7.426 1.00 0.00 C ATOM 856 CE1 PHE A 57 19.275 -4.558 -5.167 1.00 0.00 C ATOM 857 CE2 PHE A 57 19.685 -3.398 -7.176 1.00 0.00 C ATOM 858 CZ PHE A 57 20.148 -4.007 -6.052 1.00 0.00 C ATOM 0 H PHE A 57 13.823 -2.915 -7.542 1.00 0.00 H new ATOM 0 HA PHE A 57 14.963 -3.205 -4.941 1.00 0.00 H new ATOM 0 HB2 PHE A 57 15.479 -4.812 -6.652 1.00 0.00 H new ATOM 0 HB3 PHE A 57 15.750 -3.570 -7.859 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.184 -4.934 -4.715 1.00 0.00 H new ATOM 0 HD2 PHE A 57 17.919 -2.855 -8.319 1.00 0.00 H new ATOM 0 HE1 PHE A 57 19.644 -5.042 -4.274 1.00 0.00 H new ATOM 0 HE2 PHE A 57 20.379 -2.960 -7.878 1.00 0.00 H new ATOM 0 HZ PHE A 57 21.210 -4.053 -5.862 1.00 0.00 H new ATOM 868 N SER A 58 16.281 -0.909 -6.911 1.00 0.00 N ATOM 869 CA SER A 58 17.087 0.299 -6.915 1.00 0.00 C ATOM 870 C SER A 58 16.611 1.250 -5.814 1.00 0.00 C ATOM 871 O SER A 58 17.415 1.956 -5.208 1.00 0.00 O ATOM 872 CB SER A 58 17.031 0.994 -8.277 1.00 0.00 C ATOM 873 OG SER A 58 18.304 1.018 -8.917 1.00 0.00 O ATOM 0 H SER A 58 15.943 -1.199 -7.829 1.00 0.00 H new ATOM 0 HA SER A 58 18.123 0.019 -6.722 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.313 0.480 -8.917 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.670 2.015 -8.149 1.00 0.00 H new ATOM 0 HG SER A 58 18.226 1.468 -9.784 1.00 0.00 H new ATOM 879 N GLY A 59 15.305 1.236 -5.589 1.00 0.00 N ATOM 880 CA GLY A 59 14.713 2.088 -4.572 1.00 0.00 C ATOM 881 C GLY A 59 14.026 3.300 -5.204 1.00 0.00 C ATOM 882 O GLY A 59 14.627 4.367 -5.322 1.00 0.00 O ATOM 0 H GLY A 59 14.641 0.649 -6.093 1.00 0.00 H new ATOM 0 HA2 GLY A 59 13.989 1.517 -3.991 1.00 0.00 H new ATOM 0 HA3 GLY A 59 15.485 2.423 -3.879 1.00 0.00 H new ATOM 886 N GLU A 60 12.776 3.096 -5.594 1.00 0.00 N ATOM 887 CA GLU A 60 12.002 4.159 -6.211 1.00 0.00 C ATOM 888 C GLU A 60 10.505 3.888 -6.050 1.00 0.00 C ATOM 889 O GLU A 60 10.028 2.804 -6.383 1.00 0.00 O ATOM 890 CB GLU A 60 12.374 4.323 -7.687 1.00 0.00 C ATOM 891 CG GLU A 60 13.734 5.007 -7.836 1.00 0.00 C ATOM 892 CD GLU A 60 13.977 5.434 -9.286 1.00 0.00 C ATOM 893 OE1 GLU A 60 13.761 4.579 -10.172 1.00 0.00 O ATOM 894 OE2 GLU A 60 14.373 6.604 -9.474 1.00 0.00 O ATOM 0 H GLU A 60 12.280 2.210 -5.494 1.00 0.00 H new ATOM 0 HA GLU A 60 12.239 5.095 -5.704 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.399 3.346 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.610 4.911 -8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 60 13.780 5.879 -7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.524 4.328 -7.516 1.00 0.00 H new ATOM 901 N LYS A 61 9.806 4.891 -5.540 1.00 0.00 N ATOM 902 CA LYS A 61 8.372 4.773 -5.330 1.00 0.00 C ATOM 903 C LYS A 61 7.650 4.944 -6.668 1.00 0.00 C ATOM 904 O LYS A 61 8.119 5.671 -7.543 1.00 0.00 O ATOM 905 CB LYS A 61 7.907 5.753 -4.251 1.00 0.00 C ATOM 906 CG LYS A 61 8.220 5.217 -2.853 1.00 0.00 C ATOM 907 CD LYS A 61 8.648 6.349 -1.915 1.00 0.00 C ATOM 908 CE LYS A 61 9.970 6.016 -1.222 1.00 0.00 C ATOM 909 NZ LYS A 61 10.793 7.236 -1.063 1.00 0.00 N ATOM 0 H LYS A 61 10.205 5.789 -5.266 1.00 0.00 H new ATOM 0 HA LYS A 61 8.121 3.780 -4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.397 6.716 -4.393 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.835 5.924 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.342 4.716 -2.447 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.013 4.471 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.753 7.275 -2.481 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.874 6.519 -1.167 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.774 5.572 -0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.517 5.275 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.687 6.993 -0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.995 7.643 -1.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.276 7.931 -0.488 1.00 0.00 H new ATOM 923 N HIS A 62 6.521 4.261 -6.786 1.00 0.00 N ATOM 924 CA HIS A 62 5.730 4.327 -8.003 1.00 0.00 C ATOM 925 C HIS A 62 4.254 4.101 -7.668 1.00 0.00 C ATOM 926 O HIS A 62 3.858 2.993 -7.309 1.00 0.00 O ATOM 927 CB HIS A 62 6.258 3.344 -9.049 1.00 0.00 C ATOM 928 CG HIS A 62 6.960 4.004 -10.212 1.00 0.00 C ATOM 929 ND1 HIS A 62 8.174 4.656 -10.083 1.00 0.00 N ATOM 930 CD2 HIS A 62 6.607 4.104 -11.526 1.00 0.00 C ATOM 931 CE1 HIS A 62 8.525 5.124 -11.272 1.00 0.00 C ATOM 932 NE2 HIS A 62 7.553 4.781 -12.164 1.00 0.00 N ATOM 0 H HIS A 62 6.135 3.659 -6.059 1.00 0.00 H new ATOM 0 HA HIS A 62 5.819 5.319 -8.445 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.948 2.652 -8.567 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.426 2.752 -9.429 1.00 0.00 H new ATOM 0 HD1 HIS A 62 8.708 4.759 -9.220 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.710 3.700 -11.971 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.424 5.680 -11.495 1.00 0.00 H new ATOM 940 N GLU A 63 3.480 5.168 -7.798 1.00 0.00 N ATOM 941 CA GLU A 63 2.057 5.100 -7.514 1.00 0.00 C ATOM 942 C GLU A 63 1.311 4.462 -8.688 1.00 0.00 C ATOM 943 O GLU A 63 1.290 5.013 -9.787 1.00 0.00 O ATOM 944 CB GLU A 63 1.494 6.486 -7.195 1.00 0.00 C ATOM 945 CG GLU A 63 0.190 6.380 -6.402 1.00 0.00 C ATOM 946 CD GLU A 63 -0.912 7.227 -7.041 1.00 0.00 C ATOM 947 OE1 GLU A 63 -0.645 8.426 -7.270 1.00 0.00 O ATOM 948 OE2 GLU A 63 -1.996 6.655 -7.287 1.00 0.00 O ATOM 0 H GLU A 63 3.812 6.085 -8.096 1.00 0.00 H new ATOM 0 HA GLU A 63 1.912 4.474 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.226 7.057 -6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.317 7.032 -8.121 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.128 5.338 -6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.357 6.708 -5.376 1.00 0.00 H new ATOM 955 N LEU A 64 0.718 3.309 -8.414 1.00 0.00 N ATOM 956 CA LEU A 64 -0.026 2.590 -9.434 1.00 0.00 C ATOM 957 C LEU A 64 -1.362 3.296 -9.677 1.00 0.00 C ATOM 958 O LEU A 64 -1.391 4.480 -10.007 1.00 0.00 O ATOM 959 CB LEU A 64 -0.170 1.115 -9.053 1.00 0.00 C ATOM 960 CG LEU A 64 1.129 0.309 -8.990 1.00 0.00 C ATOM 961 CD1 LEU A 64 2.050 0.661 -10.160 1.00 0.00 C ATOM 962 CD2 LEU A 64 1.822 0.492 -7.639 1.00 0.00 C ATOM 0 H LEU A 64 0.738 2.855 -7.501 1.00 0.00 H new ATOM 0 HA LEU A 64 0.517 2.599 -10.379 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.658 1.057 -8.080 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.836 0.638 -9.772 1.00 0.00 H new ATOM 0 HG LEU A 64 0.880 -0.748 -9.083 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.966 0.074 -10.091 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.546 0.438 -11.100 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.295 1.722 -10.123 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.743 -0.091 -7.620 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.057 1.546 -7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.161 0.152 -6.842 1.00 0.00 H new ATOM 974 N GLN A 65 -2.435 2.538 -9.503 1.00 0.00 N ATOM 975 CA GLN A 65 -3.771 3.076 -9.699 1.00 0.00 C ATOM 976 C GLN A 65 -4.802 2.219 -8.963 1.00 0.00 C ATOM 977 O GLN A 65 -4.478 1.139 -8.470 1.00 0.00 O ATOM 978 CB GLN A 65 -4.107 3.180 -11.188 1.00 0.00 C ATOM 979 CG GLN A 65 -3.362 4.348 -11.838 1.00 0.00 C ATOM 980 CD GLN A 65 -4.198 4.977 -12.956 1.00 0.00 C ATOM 981 OE1 GLN A 65 -4.432 4.387 -13.998 1.00 0.00 O ATOM 982 NE2 GLN A 65 -4.632 6.203 -12.682 1.00 0.00 N ATOM 0 H GLN A 65 -2.407 1.556 -9.229 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.801 4.083 -9.282 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.841 2.250 -11.690 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.181 3.314 -11.314 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.130 5.101 -11.085 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.412 3.998 -12.242 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -4.399 6.639 -11.790 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -5.198 6.708 -13.364 1.00 0.00 H new ATOM 991 N PRO A 66 -6.055 2.745 -8.910 1.00 0.00 N ATOM 992 CA PRO A 66 -7.135 2.039 -8.242 1.00 0.00 C ATOM 993 C PRO A 66 -7.627 0.863 -9.088 1.00 0.00 C ATOM 994 O PRO A 66 -8.637 0.240 -8.764 1.00 0.00 O ATOM 995 CB PRO A 66 -8.207 3.092 -8.008 1.00 0.00 C ATOM 996 CG PRO A 66 -7.886 4.232 -8.962 1.00 0.00 C ATOM 997 CD PRO A 66 -6.474 4.020 -9.483 1.00 0.00 C ATOM 0 HA PRO A 66 -6.824 1.589 -7.299 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -9.201 2.688 -8.202 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.199 3.434 -6.973 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -8.598 4.252 -9.787 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -7.964 5.191 -8.450 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -6.454 3.990 -10.572 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.812 4.829 -9.174 1.00 0.00 H new ATOM 1005 N ASN A 67 -6.890 0.594 -10.156 1.00 0.00 N ATOM 1006 CA ASN A 67 -7.239 -0.497 -11.050 1.00 0.00 C ATOM 1007 C ASN A 67 -6.035 -1.429 -11.204 1.00 0.00 C ATOM 1008 O ASN A 67 -6.197 -2.642 -11.326 1.00 0.00 O ATOM 1009 CB ASN A 67 -7.612 0.027 -12.438 1.00 0.00 C ATOM 1010 CG ASN A 67 -6.879 1.335 -12.746 1.00 0.00 C ATOM 1011 OD1 ASN A 67 -7.289 2.414 -12.350 1.00 0.00 O ATOM 1012 ND2 ASN A 67 -5.776 1.180 -13.472 1.00 0.00 N ATOM 0 H ASN A 67 -6.053 1.113 -10.422 1.00 0.00 H new ATOM 0 HA ASN A 67 -8.092 -1.024 -10.622 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.363 -0.720 -13.192 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.689 0.188 -12.493 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.217 1.993 -13.730 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.489 0.248 -13.771 1.00 0.00 H new ATOM 1019 N ASP A 68 -4.856 -0.826 -11.193 1.00 0.00 N ATOM 1020 CA ASP A 68 -3.625 -1.588 -11.330 1.00 0.00 C ATOM 1021 C ASP A 68 -3.706 -2.840 -10.455 1.00 0.00 C ATOM 1022 O ASP A 68 -3.553 -2.762 -9.237 1.00 0.00 O ATOM 1023 CB ASP A 68 -2.417 -0.768 -10.873 1.00 0.00 C ATOM 1024 CG ASP A 68 -1.635 -0.086 -11.997 1.00 0.00 C ATOM 1025 OD1 ASP A 68 -2.201 0.858 -12.590 1.00 0.00 O ATOM 1026 OD2 ASP A 68 -0.490 -0.524 -12.239 1.00 0.00 O ATOM 0 H ASP A 68 -4.726 0.181 -11.091 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.505 -1.851 -12.381 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -2.759 -0.005 -10.174 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.739 -1.422 -10.325 1.00 0.00 H new ATOM 1031 N LEU A 69 -3.946 -3.966 -11.110 1.00 0.00 N ATOM 1032 CA LEU A 69 -4.048 -5.234 -10.407 1.00 0.00 C ATOM 1033 C LEU A 69 -2.957 -5.308 -9.338 1.00 0.00 C ATOM 1034 O LEU A 69 -1.876 -4.747 -9.509 1.00 0.00 O ATOM 1035 CB LEU A 69 -4.019 -6.400 -11.397 1.00 0.00 C ATOM 1036 CG LEU A 69 -5.186 -7.385 -11.307 1.00 0.00 C ATOM 1037 CD1 LEU A 69 -6.525 -6.668 -11.492 1.00 0.00 C ATOM 1038 CD2 LEU A 69 -5.010 -8.536 -12.300 1.00 0.00 C ATOM 0 H LEU A 69 -4.073 -4.027 -12.120 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.006 -5.308 -9.892 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.991 -5.992 -12.407 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.091 -6.952 -11.250 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.189 -7.820 -10.307 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.338 -7.391 -11.424 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -6.644 -5.914 -10.714 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.548 -6.188 -12.470 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.853 -9.222 -12.215 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.966 -8.138 -13.314 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.085 -9.069 -12.079 1.00 0.00 H new ATOM 1050 N VAL A 70 -3.278 -6.006 -8.258 1.00 0.00 N ATOM 1051 CA VAL A 70 -2.338 -6.161 -7.160 1.00 0.00 C ATOM 1052 C VAL A 70 -1.997 -7.643 -6.992 1.00 0.00 C ATOM 1053 O VAL A 70 -2.355 -8.256 -5.987 1.00 0.00 O ATOM 1054 CB VAL A 70 -2.910 -5.531 -5.889 1.00 0.00 C ATOM 1055 CG1 VAL A 70 -2.897 -4.004 -5.980 1.00 0.00 C ATOM 1056 CG2 VAL A 70 -4.320 -6.052 -5.605 1.00 0.00 C ATOM 0 H VAL A 70 -4.176 -6.470 -8.120 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.408 -5.636 -7.376 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.272 -5.822 -5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.309 -3.581 -5.064 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.872 -3.656 -6.112 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.500 -3.685 -6.830 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.703 -5.588 -4.696 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.974 -5.806 -6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.289 -7.134 -5.475 1.00 0.00 H new ATOM 1066 N ILE A 71 -1.310 -8.177 -7.992 1.00 0.00 N ATOM 1067 CA ILE A 71 -0.917 -9.575 -7.967 1.00 0.00 C ATOM 1068 C ILE A 71 0.099 -9.835 -9.081 1.00 0.00 C ATOM 1069 O ILE A 71 1.115 -10.493 -8.859 1.00 0.00 O ATOM 1070 CB ILE A 71 -2.149 -10.479 -8.036 1.00 0.00 C ATOM 1071 CG1 ILE A 71 -1.745 -11.950 -8.159 1.00 0.00 C ATOM 1072 CG2 ILE A 71 -3.085 -10.046 -9.167 1.00 0.00 C ATOM 1073 CD1 ILE A 71 -2.736 -12.855 -7.425 1.00 0.00 C ATOM 0 H ILE A 71 -1.016 -7.666 -8.824 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.426 -9.815 -7.024 1.00 0.00 H new ATOM 0 HB ILE A 71 -2.701 -10.374 -7.102 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.701 -12.232 -9.211 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.745 -12.092 -7.749 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -3.953 -10.705 -9.194 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.413 -9.021 -8.995 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.557 -10.103 -10.119 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.425 -13.895 -7.529 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.760 -12.587 -6.369 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.730 -12.729 -7.854 1.00 0.00 H new ATOM 1191 N ARG A 80 7.304 -5.021 -3.745 1.00 0.00 N ATOM 1192 CA ARG A 80 6.678 -4.568 -2.515 1.00 0.00 C ATOM 1193 C ARG A 80 5.774 -3.365 -2.790 1.00 0.00 C ATOM 1194 O ARG A 80 6.211 -2.378 -3.381 1.00 0.00 O ATOM 1195 CB ARG A 80 7.728 -4.180 -1.472 1.00 0.00 C ATOM 1196 CG ARG A 80 8.944 -3.529 -2.135 1.00 0.00 C ATOM 1197 CD ARG A 80 9.991 -4.579 -2.512 1.00 0.00 C ATOM 1198 NE ARG A 80 11.351 -4.045 -2.275 1.00 0.00 N ATOM 1199 CZ ARG A 80 11.808 -3.659 -1.077 1.00 0.00 C ATOM 1200 NH1 ARG A 80 11.017 -3.745 0.001 1.00 0.00 N ATOM 1201 NH2 ARG A 80 13.056 -3.188 -0.956 1.00 0.00 N ATOM 0 HA ARG A 80 6.082 -5.393 -2.124 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.291 -3.491 -0.749 1.00 0.00 H new ATOM 0 HB3 ARG A 80 8.041 -5.066 -0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.630 -2.987 -3.027 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.385 -2.798 -1.457 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.839 -5.484 -1.924 1.00 0.00 H new ATOM 0 HD3 ARG A 80 9.878 -4.857 -3.560 1.00 0.00 H new ATOM 0 HE ARG A 80 11.980 -3.966 -3.074 1.00 0.00 H new ATOM 0 HH11 ARG A 80 10.067 -4.104 -0.091 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.365 -3.451 0.914 1.00 0.00 H new ATOM 0 HH21 ARG A 80 13.658 -3.123 -1.777 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.404 -2.894 -0.043 1.00 0.00 H new ATOM 1215 N ILE A 81 4.530 -3.485 -2.350 1.00 0.00 N ATOM 1216 CA ILE A 81 3.562 -2.420 -2.542 1.00 0.00 C ATOM 1217 C ILE A 81 3.418 -1.627 -1.241 1.00 0.00 C ATOM 1218 O ILE A 81 3.611 -2.169 -0.154 1.00 0.00 O ATOM 1219 CB ILE A 81 2.240 -2.985 -3.066 1.00 0.00 C ATOM 1220 CG1 ILE A 81 2.403 -3.530 -4.487 1.00 0.00 C ATOM 1221 CG2 ILE A 81 1.124 -1.943 -2.976 1.00 0.00 C ATOM 1222 CD1 ILE A 81 3.154 -4.863 -4.480 1.00 0.00 C ATOM 0 H ILE A 81 4.171 -4.305 -1.861 1.00 0.00 H new ATOM 0 HA ILE A 81 3.909 -1.723 -3.305 1.00 0.00 H new ATOM 0 HB ILE A 81 1.950 -3.822 -2.431 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.422 -3.663 -4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.944 -2.807 -5.098 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.196 -2.371 -3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.988 -1.644 -1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.392 -1.071 -3.572 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.256 -5.228 -5.502 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.143 -4.721 -4.045 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.598 -5.591 -3.888 1.00 0.00 H new ATOM 1234 N TYR A 82 3.081 -0.355 -1.396 1.00 0.00 N ATOM 1235 CA TYR A 82 2.909 0.519 -0.247 1.00 0.00 C ATOM 1236 C TYR A 82 1.721 1.462 -0.448 1.00 0.00 C ATOM 1237 O TYR A 82 1.212 1.596 -1.560 1.00 0.00 O ATOM 1238 CB TYR A 82 4.192 1.347 -0.151 1.00 0.00 C ATOM 1239 CG TYR A 82 5.463 0.509 0.006 1.00 0.00 C ATOM 1240 CD1 TYR A 82 5.902 -0.280 -1.038 1.00 0.00 C ATOM 1241 CD2 TYR A 82 6.170 0.543 1.190 1.00 0.00 C ATOM 1242 CE1 TYR A 82 7.098 -1.069 -0.891 1.00 0.00 C ATOM 1243 CE2 TYR A 82 7.366 -0.246 1.338 1.00 0.00 C ATOM 1244 CZ TYR A 82 7.771 -1.012 0.290 1.00 0.00 C ATOM 1245 OH TYR A 82 8.900 -1.757 0.429 1.00 0.00 O ATOM 0 H TYR A 82 2.922 0.092 -2.299 1.00 0.00 H new ATOM 0 HA TYR A 82 2.720 -0.065 0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.283 1.962 -1.046 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.111 2.027 0.697 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.349 -0.306 -1.965 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.827 1.161 2.006 1.00 0.00 H new ATOM 0 HE1 TYR A 82 7.452 -1.691 -1.699 1.00 0.00 H new ATOM 0 HE2 TYR A 82 7.928 -0.230 2.260 1.00 0.00 H new ATOM 0 HH TYR A 82 9.276 -1.617 1.323 1.00 0.00 H new ATOM 1255 N VAL A 83 1.315 2.092 0.645 1.00 0.00 N ATOM 1256 CA VAL A 83 0.197 3.018 0.602 1.00 0.00 C ATOM 1257 C VAL A 83 0.598 4.326 1.287 1.00 0.00 C ATOM 1258 O VAL A 83 1.008 4.323 2.447 1.00 0.00 O ATOM 1259 CB VAL A 83 -1.043 2.373 1.225 1.00 0.00 C ATOM 1260 CG1 VAL A 83 -0.736 1.837 2.625 1.00 0.00 C ATOM 1261 CG2 VAL A 83 -2.215 3.355 1.258 1.00 0.00 C ATOM 0 H VAL A 83 1.740 1.979 1.565 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.061 3.256 -0.430 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.332 1.529 0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.633 1.384 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.054 1.088 2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.409 2.657 3.265 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.083 2.871 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.941 4.228 1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.457 3.667 0.242 1.00 0.00 H new ATOM 1271 N TYR A 84 0.465 5.413 0.541 1.00 0.00 N ATOM 1272 CA TYR A 84 0.809 6.725 1.062 1.00 0.00 C ATOM 1273 C TYR A 84 -0.429 7.619 1.156 1.00 0.00 C ATOM 1274 O TYR A 84 -1.513 7.233 0.719 1.00 0.00 O ATOM 1275 CB TYR A 84 1.788 7.335 0.058 1.00 0.00 C ATOM 1276 CG TYR A 84 3.199 6.747 0.129 1.00 0.00 C ATOM 1277 CD1 TYR A 84 3.384 5.383 0.041 1.00 0.00 C ATOM 1278 CD2 TYR A 84 4.288 7.582 0.283 1.00 0.00 C ATOM 1279 CE1 TYR A 84 4.712 4.830 0.109 1.00 0.00 C ATOM 1280 CE2 TYR A 84 5.615 7.029 0.350 1.00 0.00 C ATOM 1281 CZ TYR A 84 5.762 5.680 0.260 1.00 0.00 C ATOM 1282 OH TYR A 84 7.016 5.158 0.324 1.00 0.00 O ATOM 0 H TYR A 84 0.124 5.412 -0.420 1.00 0.00 H new ATOM 0 HA TYR A 84 1.234 6.641 2.062 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.396 7.192 -0.949 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.844 8.410 0.228 1.00 0.00 H new ATOM 0 HD1 TYR A 84 2.533 4.729 -0.079 1.00 0.00 H new ATOM 0 HD2 TYR A 84 4.144 8.650 0.353 1.00 0.00 H new ATOM 0 HE1 TYR A 84 4.870 3.764 0.042 1.00 0.00 H new ATOM 0 HE2 TYR A 84 6.475 7.671 0.469 1.00 0.00 H new ATOM 0 HH TYR A 84 7.053 4.330 -0.199 1.00 0.00 H new ATOM 1292 N ARG A 85 -0.228 8.797 1.728 1.00 0.00 N ATOM 1293 CA ARG A 85 -1.314 9.749 1.885 1.00 0.00 C ATOM 1294 C ARG A 85 -1.243 10.819 0.793 1.00 0.00 C ATOM 1295 O ARG A 85 -0.162 11.302 0.462 1.00 0.00 O ATOM 1296 CB ARG A 85 -1.261 10.425 3.256 1.00 0.00 C ATOM 1297 CG ARG A 85 -2.652 10.493 3.889 1.00 0.00 C ATOM 1298 CD ARG A 85 -3.070 11.944 4.139 1.00 0.00 C ATOM 1299 NE ARG A 85 -4.170 12.319 3.223 1.00 0.00 N ATOM 1300 CZ ARG A 85 -4.928 13.414 3.368 1.00 0.00 C ATOM 1301 NH1 ARG A 85 -4.711 14.248 4.394 1.00 0.00 N ATOM 1302 NH2 ARG A 85 -5.904 13.675 2.488 1.00 0.00 N ATOM 0 H ARG A 85 0.672 9.114 2.089 1.00 0.00 H new ATOM 0 HA ARG A 85 -2.251 9.199 1.800 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -0.586 9.874 3.911 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -0.855 11.431 3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.377 10.009 3.235 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.655 9.943 4.830 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.390 12.066 5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -2.218 12.607 3.989 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.363 11.705 2.432 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -3.969 14.049 5.065 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.288 15.082 4.504 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -6.070 13.040 1.707 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.481 14.509 2.599 1.00 0.00 H new ATOM 1316 N LYS A 86 -2.411 11.158 0.266 1.00 0.00 N ATOM 1317 CA LYS A 86 -2.495 12.162 -0.781 1.00 0.00 C ATOM 1318 C LYS A 86 -2.588 13.550 -0.145 1.00 0.00 C ATOM 1319 O LYS A 86 -3.563 13.859 0.539 1.00 0.00 O ATOM 1320 CB LYS A 86 -3.647 11.845 -1.736 1.00 0.00 C ATOM 1321 CG LYS A 86 -3.270 10.713 -2.694 1.00 0.00 C ATOM 1322 CD LYS A 86 -3.886 10.937 -4.077 1.00 0.00 C ATOM 1323 CE LYS A 86 -3.817 9.662 -4.921 1.00 0.00 C ATOM 1324 NZ LYS A 86 -3.828 9.994 -6.363 1.00 0.00 N ATOM 0 H LYS A 86 -3.306 10.755 0.544 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.592 12.151 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.531 11.563 -1.164 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.907 12.737 -2.306 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -2.185 10.651 -2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.612 9.760 -2.290 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.924 11.251 -3.970 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.360 11.744 -4.587 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.912 9.106 -4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.662 9.016 -4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.781 9.118 -6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.703 10.505 -6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -3.008 10.592 -6.588 1.00 0.00 H new ATOM 1424 N ASN A 93 4.932 10.952 0.061 1.00 0.00 N ATOM 1425 CA ASN A 93 5.678 10.927 1.308 1.00 0.00 C ATOM 1426 C ASN A 93 5.146 9.798 2.193 1.00 0.00 C ATOM 1427 O ASN A 93 3.935 9.612 2.308 1.00 0.00 O ATOM 1428 CB ASN A 93 5.516 12.243 2.072 1.00 0.00 C ATOM 1429 CG ASN A 93 5.679 13.443 1.138 1.00 0.00 C ATOM 1430 OD1 ASN A 93 6.736 13.688 0.578 1.00 0.00 O ATOM 1431 ND2 ASN A 93 4.578 14.175 1.000 1.00 0.00 N ATOM 0 HA ASN A 93 6.731 10.775 1.069 1.00 0.00 H new ATOM 0 HB2 ASN A 93 4.534 12.275 2.543 1.00 0.00 H new ATOM 0 HB3 ASN A 93 6.255 12.297 2.871 1.00 0.00 H new ATOM 0 HD21 ASN A 93 4.585 14.997 0.397 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.727 13.914 1.497 1.00 0.00 H new ATOM 1438 N PRO A 94 6.101 9.054 2.812 1.00 0.00 N ATOM 1439 CA PRO A 94 5.741 7.948 3.683 1.00 0.00 C ATOM 1440 C PRO A 94 5.218 8.458 5.028 1.00 0.00 C ATOM 1441 O PRO A 94 5.632 9.516 5.498 1.00 0.00 O ATOM 1442 CB PRO A 94 7.010 7.122 3.814 1.00 0.00 C ATOM 1443 CG PRO A 94 8.149 8.037 3.395 1.00 0.00 C ATOM 1444 CD PRO A 94 7.544 9.245 2.699 1.00 0.00 C ATOM 0 HA PRO A 94 4.928 7.343 3.282 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.145 6.774 4.838 1.00 0.00 H new ATOM 0 HB3 PRO A 94 6.967 6.237 3.180 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.729 8.348 4.264 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.833 7.514 2.726 1.00 0.00 H new ATOM 0 HD2 PRO A 94 7.859 10.174 3.174 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.856 9.298 1.656 1.00 0.00 H new ATOM 1452 N PHE A 95 4.315 7.680 5.608 1.00 0.00 N ATOM 1453 CA PHE A 95 3.731 8.039 6.889 1.00 0.00 C ATOM 1454 C PHE A 95 4.800 8.102 7.981 1.00 0.00 C ATOM 1455 O PHE A 95 5.994 8.038 7.690 1.00 0.00 O ATOM 1456 CB PHE A 95 2.721 6.945 7.242 1.00 0.00 C ATOM 1457 CG PHE A 95 1.284 7.268 6.828 1.00 0.00 C ATOM 1458 CD1 PHE A 95 0.555 8.165 7.544 1.00 0.00 C ATOM 1459 CD2 PHE A 95 0.735 6.657 5.744 1.00 0.00 C ATOM 1460 CE1 PHE A 95 -0.779 8.464 7.160 1.00 0.00 C ATOM 1461 CE2 PHE A 95 -0.598 6.956 5.360 1.00 0.00 C ATOM 1462 CZ PHE A 95 -1.328 7.853 6.076 1.00 0.00 C ATOM 0 H PHE A 95 3.974 6.803 5.214 1.00 0.00 H new ATOM 0 HA PHE A 95 3.261 9.020 6.822 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.026 6.015 6.763 1.00 0.00 H new ATOM 0 HB3 PHE A 95 2.748 6.773 8.318 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.991 8.650 8.405 1.00 0.00 H new ATOM 0 HD2 PHE A 95 1.314 5.944 5.175 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -1.358 9.177 7.729 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.033 6.471 4.499 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.343 8.080 5.784 1.00 0.00 H new