USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 871 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 Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -155:sc= -0.671 (180deg=-1.66!) USER MOD Single : A 17 CYS SG : rot -120:sc= -3.66 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.168 USER MOD Single : A 22 ASN :FLIP amide:sc= -1.45 F(o=-2.5!,f=-1.4) USER MOD Single : A 35 THR OG1 : rot 169:sc= -0.501 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.235 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.585 USER MOD Single : A 48 GLN : amide:sc= -0.806 K(o=-0.81,f=-3.8!) USER MOD Single : A 52 TYR OH : rot -22:sc= 0.181 USER MOD Single : A 53 GLN : amide:sc= -0.636 X(o=-0.64,f=-0.21) USER MOD Single : A 54 HIS : no HD1:sc= -0.0979 X(o=-0.098,f=-0.013) USER MOD Single : A 57 GLN : amide:sc= -0.933 X(o=-0.93,f=-0.78) USER MOD Single : A 58 GLN : amide:sc= -0.874 K(o=-0.87,f=-5.5!) USER MOD Single : A 59 CYS SG : rot 136:sc= -1.63! USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.745 USER MOD Single : A 87 THR OG1 : rot -84:sc= 1.14 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -1.1 K(o=-1.1,f=-6.2!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 84:sc= 0.92 USER MOD Single : A 103 THR OG1 : rot 90:sc= 0.00264 USER MOD Single : A 105 LYS NZ :NH3+ -117:sc= -1.14! (180deg=-2.88!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.0815 X(o=-0.081,f=0) USER MOD Single : A 114 ASN :FLIP amide:sc= -0.612 F(o=-2.5!,f=-0.61) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N LYS A 11 -10.316 8.828 8.955 1.00 0.00 N ATOM 117 CA LYS A 11 -9.101 9.417 9.506 1.00 0.00 C ATOM 118 C LYS A 11 -7.914 8.475 9.335 1.00 0.00 C ATOM 119 O LYS A 11 -8.054 7.377 8.794 1.00 0.00 O ATOM 120 CB LYS A 11 -9.296 9.747 10.988 1.00 0.00 C ATOM 121 CG LYS A 11 -10.402 10.755 11.246 1.00 0.00 C ATOM 122 CD LYS A 11 -10.118 11.589 12.485 1.00 0.00 C ATOM 123 CE LYS A 11 -9.180 12.745 12.175 1.00 0.00 C ATOM 124 NZ LYS A 11 -8.661 13.385 13.415 1.00 0.00 N ATOM 0 HA LYS A 11 -8.893 10.337 8.960 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.520 8.828 11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.361 10.135 11.391 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.507 11.410 10.381 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.351 10.232 11.367 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.054 11.976 12.887 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.677 10.958 13.257 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.344 12.384 11.575 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.705 13.488 11.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -8.025 14.168 13.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -9.457 13.752 13.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.138 12.682 13.976 1.00 0.00 H new ATOM 138 N ILE A 12 -6.748 8.910 9.801 1.00 0.00 N ATOM 139 CA ILE A 12 -5.538 8.103 9.702 1.00 0.00 C ATOM 140 C ILE A 12 -4.689 8.229 10.963 1.00 0.00 C ATOM 141 O ILE A 12 -4.540 9.318 11.517 1.00 0.00 O ATOM 142 CB ILE A 12 -4.690 8.508 8.483 1.00 0.00 C ATOM 143 CG1 ILE A 12 -3.433 7.639 8.396 1.00 0.00 C ATOM 144 CG2 ILE A 12 -4.317 9.981 8.562 1.00 0.00 C ATOM 145 CD1 ILE A 12 -2.670 7.808 7.102 1.00 0.00 C ATOM 0 H ILE A 12 -6.616 9.816 10.250 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.857 7.068 9.584 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.281 8.351 7.581 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.775 7.882 9.231 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.716 6.592 8.507 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.718 10.252 7.693 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.224 10.586 8.580 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.742 10.163 9.470 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.792 7.162 7.110 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -3.312 7.537 6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.356 8.846 6.998 1.00 0.00 H new ATOM 157 N ASP A 13 -4.133 7.108 11.409 1.00 0.00 N ATOM 158 CA ASP A 13 -3.296 7.093 12.603 1.00 0.00 C ATOM 159 C ASP A 13 -1.878 7.551 12.278 1.00 0.00 C ATOM 160 O ASP A 13 -0.901 6.920 12.683 1.00 0.00 O ATOM 161 CB ASP A 13 -3.265 5.690 13.212 1.00 0.00 C ATOM 162 CG ASP A 13 -4.333 5.495 14.270 1.00 0.00 C ATOM 163 OD1 ASP A 13 -5.457 6.004 14.080 1.00 0.00 O ATOM 164 OD2 ASP A 13 -4.045 4.832 15.288 1.00 0.00 O ATOM 0 H ASP A 13 -4.247 6.198 10.962 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.725 7.786 13.327 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -3.401 4.951 12.422 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.284 5.510 13.652 1.00 0.00 H new ATOM 169 N LYS A 14 -1.771 8.653 11.543 1.00 0.00 N ATOM 170 CA LYS A 14 -0.473 9.197 11.162 1.00 0.00 C ATOM 171 C LYS A 14 0.615 8.733 12.126 1.00 0.00 C ATOM 172 O LYS A 14 1.665 8.250 11.703 1.00 0.00 O ATOM 173 CB LYS A 14 -0.526 10.726 11.135 1.00 0.00 C ATOM 174 CG LYS A 14 -0.896 11.297 9.777 1.00 0.00 C ATOM 175 CD LYS A 14 -0.698 12.803 9.733 1.00 0.00 C ATOM 176 CE LYS A 14 0.707 13.168 9.280 1.00 0.00 C ATOM 177 NZ LYS A 14 1.719 12.899 10.340 1.00 0.00 N ATOM 0 H LYS A 14 -2.569 9.187 11.199 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.232 8.830 10.164 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.250 11.069 11.874 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.445 11.120 11.433 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.287 10.826 9.005 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.936 11.059 9.552 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.427 13.247 9.055 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.884 13.224 10.721 1.00 0.00 H new ATOM 0 HE2 LYS A 14 0.959 12.600 8.385 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.738 14.223 9.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.545 13.514 10.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.303 13.091 11.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 2.016 11.904 10.292 1.00 0.00 H new ATOM 191 N GLU A 15 0.355 8.882 13.421 1.00 0.00 N ATOM 192 CA GLU A 15 1.313 8.477 14.443 1.00 0.00 C ATOM 193 C GLU A 15 1.746 7.027 14.239 1.00 0.00 C ATOM 194 O GLU A 15 2.928 6.742 14.050 1.00 0.00 O ATOM 195 CB GLU A 15 0.708 8.648 15.838 1.00 0.00 C ATOM 196 CG GLU A 15 -0.683 8.052 15.975 1.00 0.00 C ATOM 197 CD GLU A 15 -1.492 8.707 17.079 1.00 0.00 C ATOM 198 OE1 GLU A 15 -1.304 9.919 17.312 1.00 0.00 O ATOM 199 OE2 GLU A 15 -2.311 8.007 17.709 1.00 0.00 O ATOM 0 H GLU A 15 -0.510 9.280 13.787 1.00 0.00 H new ATOM 0 HA GLU A 15 2.191 9.117 14.355 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.367 8.182 16.570 1.00 0.00 H new ATOM 0 HB3 GLU A 15 0.664 9.710 16.078 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.214 8.157 15.029 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.599 6.984 16.176 1.00 0.00 H new ATOM 206 N ALA A 16 0.779 6.116 14.280 1.00 0.00 N ATOM 207 CA ALA A 16 1.059 4.697 14.099 1.00 0.00 C ATOM 208 C ALA A 16 1.523 4.406 12.676 1.00 0.00 C ATOM 209 O ALA A 16 2.382 3.552 12.455 1.00 0.00 O ATOM 210 CB ALA A 16 -0.173 3.869 14.434 1.00 0.00 C ATOM 0 H ALA A 16 -0.205 6.335 14.437 1.00 0.00 H new ATOM 0 HA ALA A 16 1.865 4.421 14.779 1.00 0.00 H new ATOM 0 HB1 ALA A 16 0.050 2.811 14.294 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.459 4.046 15.471 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -0.994 4.156 13.777 1.00 0.00 H new ATOM 216 N CYS A 17 0.950 5.121 11.714 1.00 0.00 N ATOM 217 CA CYS A 17 1.304 4.939 10.311 1.00 0.00 C ATOM 218 C CYS A 17 2.783 5.234 10.081 1.00 0.00 C ATOM 219 O CYS A 17 3.549 4.353 9.690 1.00 0.00 O ATOM 220 CB CYS A 17 0.447 5.843 9.425 1.00 0.00 C ATOM 221 SG CYS A 17 -1.328 5.731 9.754 1.00 0.00 S ATOM 0 H CYS A 17 0.238 5.832 11.880 1.00 0.00 H new ATOM 0 HA CYS A 17 1.114 3.899 10.046 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.767 6.876 9.562 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.629 5.588 8.381 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.945 5.340 8.678 1.00 0.00 H new ATOM 227 N ARG A 18 3.177 6.480 10.324 1.00 0.00 N ATOM 228 CA ARG A 18 4.563 6.893 10.141 1.00 0.00 C ATOM 229 C ARG A 18 5.521 5.808 10.623 1.00 0.00 C ATOM 230 O ARG A 18 6.512 5.502 9.961 1.00 0.00 O ATOM 231 CB ARG A 18 4.832 8.198 10.892 1.00 0.00 C ATOM 232 CG ARG A 18 6.307 8.557 10.979 1.00 0.00 C ATOM 233 CD ARG A 18 6.584 9.495 12.144 1.00 0.00 C ATOM 234 NE ARG A 18 6.136 10.857 11.868 1.00 0.00 N ATOM 235 CZ ARG A 18 6.496 11.910 12.594 1.00 0.00 C ATOM 236 NH1 ARG A 18 7.305 11.758 13.633 1.00 0.00 N ATOM 237 NH2 ARG A 18 6.048 13.119 12.280 1.00 0.00 N ATOM 0 H ARG A 18 2.556 7.221 10.648 1.00 0.00 H new ATOM 0 HA ARG A 18 4.731 7.054 9.076 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.298 9.009 10.397 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.426 8.118 11.900 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.898 7.648 11.094 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.624 9.028 10.048 1.00 0.00 H new ATOM 0 HD2 ARG A 18 6.082 9.122 13.037 1.00 0.00 H new ATOM 0 HD3 ARG A 18 7.653 9.501 12.358 1.00 0.00 H new ATOM 0 HE ARG A 18 5.513 11.008 11.075 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.653 10.831 13.877 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.580 12.568 14.188 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.426 13.241 11.480 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.325 13.926 12.838 1.00 0.00 H new ATOM 251 N ALA A 19 5.220 5.232 11.782 1.00 0.00 N ATOM 252 CA ALA A 19 6.053 4.181 12.352 1.00 0.00 C ATOM 253 C ALA A 19 6.232 3.028 11.370 1.00 0.00 C ATOM 254 O ALA A 19 7.355 2.619 11.077 1.00 0.00 O ATOM 255 CB ALA A 19 5.450 3.678 13.656 1.00 0.00 C ATOM 0 H ALA A 19 4.405 5.476 12.345 1.00 0.00 H new ATOM 0 HA ALA A 19 7.036 4.603 12.558 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.083 2.893 14.071 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.381 4.502 14.367 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.454 3.278 13.466 1.00 0.00 H new ATOM 261 N ALA A 20 5.117 2.508 10.867 1.00 0.00 N ATOM 262 CA ALA A 20 5.151 1.403 9.917 1.00 0.00 C ATOM 263 C ALA A 20 5.875 1.802 8.636 1.00 0.00 C ATOM 264 O ALA A 20 6.725 1.065 8.135 1.00 0.00 O ATOM 265 CB ALA A 20 3.739 0.933 9.603 1.00 0.00 C ATOM 0 H ALA A 20 4.179 2.834 11.102 1.00 0.00 H new ATOM 0 HA ALA A 20 5.702 0.581 10.374 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.780 0.108 8.892 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.254 0.598 10.520 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.169 1.756 9.171 1.00 0.00 H new ATOM 271 N TYR A 21 5.534 2.973 8.109 1.00 0.00 N ATOM 272 CA TYR A 21 6.149 3.469 6.884 1.00 0.00 C ATOM 273 C TYR A 21 7.657 3.627 7.057 1.00 0.00 C ATOM 274 O TYR A 21 8.401 3.685 6.079 1.00 0.00 O ATOM 275 CB TYR A 21 5.528 4.808 6.482 1.00 0.00 C ATOM 276 CG TYR A 21 6.448 5.680 5.658 1.00 0.00 C ATOM 277 CD1 TYR A 21 6.617 5.455 4.298 1.00 0.00 C ATOM 278 CD2 TYR A 21 7.148 6.729 6.241 1.00 0.00 C ATOM 279 CE1 TYR A 21 7.458 6.248 3.542 1.00 0.00 C ATOM 280 CE2 TYR A 21 7.990 7.529 5.492 1.00 0.00 C ATOM 281 CZ TYR A 21 8.142 7.284 4.143 1.00 0.00 C ATOM 282 OH TYR A 21 8.979 8.078 3.393 1.00 0.00 O ATOM 0 H TYR A 21 4.834 3.597 8.512 1.00 0.00 H new ATOM 0 HA TYR A 21 5.966 2.740 6.095 1.00 0.00 H new ATOM 0 HB2 TYR A 21 4.616 4.620 5.916 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.238 5.349 7.383 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.082 4.646 3.823 1.00 0.00 H new ATOM 0 HD2 TYR A 21 7.032 6.922 7.297 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.579 6.058 2.486 1.00 0.00 H new ATOM 0 HE2 TYR A 21 8.526 8.341 5.960 1.00 0.00 H new ATOM 0 HH TYR A 21 9.383 8.762 3.967 1.00 0.00 H new ATOM 292 N ASN A 22 8.098 3.694 8.308 1.00 0.00 N ATOM 293 CA ASN A 22 9.517 3.845 8.611 1.00 0.00 C ATOM 294 C ASN A 22 10.185 2.483 8.779 1.00 0.00 C ATOM 295 O ASN A 22 11.258 2.235 8.230 1.00 0.00 O ATOM 296 CB ASN A 22 9.703 4.677 9.882 1.00 0.00 C ATOM 297 CG ASN A 22 9.633 6.167 9.612 1.00 0.00 C ATOM 298 OD1 ASN A 22 8.878 6.883 10.438 1.00 0.00 O flip ATOM 299 ND2 ASN A 22 10.251 6.669 8.673 1.00 0.00 N flip ATOM 0 H ASN A 22 7.494 3.646 9.129 1.00 0.00 H new ATOM 0 HA ASN A 22 9.989 4.361 7.775 1.00 0.00 H new ATOM 0 HB2 ASN A 22 8.935 4.405 10.607 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.666 4.437 10.333 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.819 6.080 8.064 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.195 7.673 8.504 1.00 0.00 H new ATOM 306 N LEU A 23 9.542 1.605 9.540 1.00 0.00 N ATOM 307 CA LEU A 23 10.072 0.267 9.780 1.00 0.00 C ATOM 308 C LEU A 23 10.543 -0.373 8.478 1.00 0.00 C ATOM 309 O LEU A 23 11.338 -1.313 8.487 1.00 0.00 O ATOM 310 CB LEU A 23 9.010 -0.614 10.441 1.00 0.00 C ATOM 311 CG LEU A 23 9.103 -0.706 11.964 1.00 0.00 C ATOM 312 CD1 LEU A 23 10.263 -1.597 12.377 1.00 0.00 C ATOM 313 CD2 LEU A 23 9.251 0.680 12.573 1.00 0.00 C ATOM 0 H LEU A 23 8.653 1.795 10.002 1.00 0.00 H new ATOM 0 HA LEU A 23 10.927 0.357 10.450 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.025 -0.231 10.175 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.084 -1.619 10.026 1.00 0.00 H new ATOM 0 HG LEU A 23 8.181 -1.150 12.338 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.312 -1.650 13.465 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.115 -2.598 11.972 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.195 -1.183 11.991 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.316 0.596 13.658 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.157 1.150 12.191 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.386 1.288 12.307 1.00 0.00 H new ATOM 325 N VAL A 24 10.046 0.143 7.358 1.00 0.00 N ATOM 326 CA VAL A 24 10.416 -0.377 6.047 1.00 0.00 C ATOM 327 C VAL A 24 11.311 0.605 5.299 1.00 0.00 C ATOM 328 O VAL A 24 12.233 0.203 4.589 1.00 0.00 O ATOM 329 CB VAL A 24 9.171 -0.675 5.190 1.00 0.00 C ATOM 330 CG1 VAL A 24 8.197 0.492 5.239 1.00 0.00 C ATOM 331 CG2 VAL A 24 9.574 -0.985 3.756 1.00 0.00 C ATOM 0 H VAL A 24 9.386 0.921 7.333 1.00 0.00 H new ATOM 0 HA VAL A 24 10.962 -1.305 6.217 1.00 0.00 H new ATOM 0 HB VAL A 24 8.670 -1.552 5.600 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.324 0.263 4.628 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.884 0.662 6.269 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.684 1.389 4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 24 8.682 -1.193 3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 24 10.099 -0.129 3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.230 -1.856 3.742 1.00 0.00 H new ATOM 341 N ARG A 25 11.033 1.894 5.463 1.00 0.00 N ATOM 342 CA ARG A 25 11.813 2.934 4.803 1.00 0.00 C ATOM 343 C ARG A 25 13.243 2.961 5.333 1.00 0.00 C ATOM 344 O ARG A 25 14.172 3.345 4.623 1.00 0.00 O ATOM 345 CB ARG A 25 11.156 4.301 5.007 1.00 0.00 C ATOM 346 CG ARG A 25 12.152 5.430 5.215 1.00 0.00 C ATOM 347 CD ARG A 25 11.475 6.790 5.145 1.00 0.00 C ATOM 348 NE ARG A 25 12.374 7.823 4.636 1.00 0.00 N ATOM 349 CZ ARG A 25 12.568 8.056 3.343 1.00 0.00 C ATOM 350 NH1 ARG A 25 11.931 7.333 2.432 1.00 0.00 N ATOM 351 NH2 ARG A 25 13.402 9.014 2.958 1.00 0.00 N ATOM 0 H ARG A 25 10.273 2.243 6.047 1.00 0.00 H new ATOM 0 HA ARG A 25 11.844 2.708 3.737 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.536 4.530 4.140 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.492 4.250 5.870 1.00 0.00 H new ATOM 0 HG2 ARG A 25 12.638 5.314 6.184 1.00 0.00 H new ATOM 0 HG3 ARG A 25 12.933 5.372 4.457 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.597 6.725 4.503 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.124 7.072 6.138 1.00 0.00 H new ATOM 0 HE ARG A 25 12.880 8.397 5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.290 6.595 2.724 1.00 0.00 H new ATOM 0 HH12 ARG A 25 12.082 7.515 1.440 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.895 9.572 3.655 1.00 0.00 H new ATOM 0 HH22 ARG A 25 13.550 9.192 1.965 1.00 0.00 H new ATOM 365 N ASP A 26 13.412 2.550 6.585 1.00 0.00 N ATOM 366 CA ASP A 26 14.729 2.526 7.211 1.00 0.00 C ATOM 367 C ASP A 26 15.639 1.512 6.524 1.00 0.00 C ATOM 368 O ASP A 26 15.167 0.591 5.858 1.00 0.00 O ATOM 369 CB ASP A 26 14.604 2.192 8.699 1.00 0.00 C ATOM 370 CG ASP A 26 15.953 2.060 9.378 1.00 0.00 C ATOM 371 OD1 ASP A 26 16.533 3.101 9.751 1.00 0.00 O ATOM 372 OD2 ASP A 26 16.430 0.916 9.535 1.00 0.00 O ATOM 0 H ASP A 26 12.653 2.229 7.186 1.00 0.00 H new ATOM 0 HA ASP A 26 15.173 3.516 7.105 1.00 0.00 H new ATOM 0 HB2 ASP A 26 14.025 2.971 9.196 1.00 0.00 H new ATOM 0 HB3 ASP A 26 14.050 1.260 8.814 1.00 0.00 H new ATOM 417 N VAL A 31 12.176 -5.071 8.580 1.00 0.00 N ATOM 418 CA VAL A 31 10.899 -5.029 7.877 1.00 0.00 C ATOM 419 C VAL A 31 11.066 -4.468 6.469 1.00 0.00 C ATOM 420 O VAL A 31 11.759 -3.471 6.265 1.00 0.00 O ATOM 421 CB VAL A 31 9.866 -4.178 8.638 1.00 0.00 C ATOM 422 CG1 VAL A 31 8.564 -4.094 7.856 1.00 0.00 C ATOM 423 CG2 VAL A 31 9.628 -4.747 10.028 1.00 0.00 C ATOM 0 HA VAL A 31 10.537 -6.055 7.816 1.00 0.00 H new ATOM 0 HB VAL A 31 10.262 -3.168 8.747 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.846 -3.489 8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.752 -3.637 6.885 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.160 -5.096 7.713 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.895 -4.133 10.552 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.253 -5.767 9.944 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.565 -4.749 10.586 1.00 0.00 H new ATOM 433 N ILE A 32 10.427 -5.116 5.500 1.00 0.00 N ATOM 434 CA ILE A 32 10.503 -4.680 4.111 1.00 0.00 C ATOM 435 C ILE A 32 9.123 -4.320 3.572 1.00 0.00 C ATOM 436 O ILE A 32 9.001 -3.582 2.594 1.00 0.00 O ATOM 437 CB ILE A 32 11.125 -5.766 3.214 1.00 0.00 C ATOM 438 CG1 ILE A 32 10.086 -6.839 2.879 1.00 0.00 C ATOM 439 CG2 ILE A 32 12.335 -6.388 3.896 1.00 0.00 C ATOM 440 CD1 ILE A 32 10.511 -7.762 1.759 1.00 0.00 C ATOM 0 H ILE A 32 9.851 -5.944 5.651 1.00 0.00 H new ATOM 0 HA ILE A 32 11.140 -3.796 4.092 1.00 0.00 H new ATOM 0 HB ILE A 32 11.455 -5.303 2.284 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.887 -7.432 3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.150 -6.353 2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.763 -7.154 3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.081 -5.617 4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.029 -6.840 4.839 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.727 -8.497 1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 32 10.682 -7.180 0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 32 11.431 -8.275 2.040 1.00 0.00 H new ATOM 452 N TRP A 33 8.087 -4.844 4.216 1.00 0.00 N ATOM 453 CA TRP A 33 6.714 -4.576 3.802 1.00 0.00 C ATOM 454 C TRP A 33 5.838 -4.245 5.004 1.00 0.00 C ATOM 455 O TRP A 33 6.162 -4.599 6.138 1.00 0.00 O ATOM 456 CB TRP A 33 6.141 -5.781 3.054 1.00 0.00 C ATOM 457 CG TRP A 33 5.985 -6.997 3.916 1.00 0.00 C ATOM 458 CD1 TRP A 33 6.794 -8.097 3.937 1.00 0.00 C ATOM 459 CD2 TRP A 33 4.955 -7.235 4.882 1.00 0.00 C ATOM 460 NE1 TRP A 33 6.329 -9.005 4.857 1.00 0.00 N ATOM 461 CE2 TRP A 33 5.203 -8.500 5.451 1.00 0.00 C ATOM 462 CE3 TRP A 33 3.850 -6.504 5.323 1.00 0.00 C ATOM 463 CZ2 TRP A 33 4.384 -9.046 6.436 1.00 0.00 C ATOM 464 CZ3 TRP A 33 3.038 -7.047 6.300 1.00 0.00 C ATOM 465 CH2 TRP A 33 3.309 -8.308 6.849 1.00 0.00 C ATOM 0 H TRP A 33 8.171 -5.457 5.027 1.00 0.00 H new ATOM 0 HA TRP A 33 6.724 -3.714 3.135 1.00 0.00 H new ATOM 0 HB2 TRP A 33 5.170 -5.513 2.638 1.00 0.00 H new ATOM 0 HB3 TRP A 33 6.793 -6.021 2.214 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.671 -8.233 3.321 1.00 0.00 H new ATOM 0 HE1 TRP A 33 6.754 -9.909 5.064 1.00 0.00 H new ATOM 0 HE3 TRP A 33 3.634 -5.531 4.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 4.590 -10.018 6.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 2.180 -6.490 6.647 1.00 0.00 H new ATOM 0 HH2 TRP A 33 2.656 -8.704 7.613 1.00 0.00 H new ATOM 476 N VAL A 34 4.724 -3.564 4.750 1.00 0.00 N ATOM 477 CA VAL A 34 3.800 -3.186 5.812 1.00 0.00 C ATOM 478 C VAL A 34 2.414 -2.886 5.254 1.00 0.00 C ATOM 479 O VAL A 34 2.277 -2.222 4.226 1.00 0.00 O ATOM 480 CB VAL A 34 4.307 -1.955 6.587 1.00 0.00 C ATOM 481 CG1 VAL A 34 4.323 -0.729 5.688 1.00 0.00 C ATOM 482 CG2 VAL A 34 3.450 -1.712 7.820 1.00 0.00 C ATOM 0 H VAL A 34 4.440 -3.263 3.818 1.00 0.00 H new ATOM 0 HA VAL A 34 3.738 -4.034 6.493 1.00 0.00 H new ATOM 0 HB VAL A 34 5.328 -2.148 6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.684 0.131 6.252 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.983 -0.909 4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.314 -0.529 5.327 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.822 -0.839 8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.417 -1.539 7.517 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.495 -2.584 8.472 1.00 0.00 H new ATOM 492 N THR A 35 1.386 -3.379 5.938 1.00 0.00 N ATOM 493 CA THR A 35 0.009 -3.164 5.510 1.00 0.00 C ATOM 494 C THR A 35 -0.711 -2.195 6.441 1.00 0.00 C ATOM 495 O THR A 35 -0.414 -2.128 7.633 1.00 0.00 O ATOM 496 CB THR A 35 -0.776 -4.489 5.459 1.00 0.00 C ATOM 497 OG1 THR A 35 -0.452 -5.295 6.597 1.00 0.00 O ATOM 498 CG2 THR A 35 -0.463 -5.254 4.182 1.00 0.00 C ATOM 0 H THR A 35 1.481 -3.930 6.791 1.00 0.00 H new ATOM 0 HA THR A 35 0.052 -2.737 4.508 1.00 0.00 H new ATOM 0 HB THR A 35 -1.841 -4.256 5.472 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.077 -6.048 6.654 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.028 -6.186 4.168 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.739 -4.649 3.318 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.603 -5.476 4.143 1.00 0.00 H new ATOM 506 N PHE A 36 -1.660 -1.447 5.888 1.00 0.00 N ATOM 507 CA PHE A 36 -2.423 -0.480 6.670 1.00 0.00 C ATOM 508 C PHE A 36 -3.922 -0.701 6.493 1.00 0.00 C ATOM 509 O PHE A 36 -4.515 -0.252 5.512 1.00 0.00 O ATOM 510 CB PHE A 36 -2.054 0.946 6.257 1.00 0.00 C ATOM 511 CG PHE A 36 -0.574 1.204 6.249 1.00 0.00 C ATOM 512 CD1 PHE A 36 0.187 0.913 5.128 1.00 0.00 C ATOM 513 CD2 PHE A 36 0.056 1.738 7.361 1.00 0.00 C ATOM 514 CE1 PHE A 36 1.549 1.149 5.118 1.00 0.00 C ATOM 515 CE2 PHE A 36 1.417 1.977 7.357 1.00 0.00 C ATOM 516 CZ PHE A 36 2.164 1.682 6.234 1.00 0.00 C ATOM 0 H PHE A 36 -1.919 -1.491 4.902 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.174 -0.622 7.722 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.454 1.143 5.262 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.534 1.649 6.938 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.289 0.497 4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.524 1.970 8.242 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.132 0.917 4.239 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.896 2.394 8.231 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.228 1.868 6.228 1.00 0.00 H new ATOM 526 N ARG A 37 -4.528 -1.396 7.450 1.00 0.00 N ATOM 527 CA ARG A 37 -5.958 -1.678 7.401 1.00 0.00 C ATOM 528 C ARG A 37 -6.734 -0.715 8.295 1.00 0.00 C ATOM 529 O ARG A 37 -6.144 0.059 9.049 1.00 0.00 O ATOM 530 CB ARG A 37 -6.230 -3.121 7.831 1.00 0.00 C ATOM 531 CG ARG A 37 -5.754 -3.437 9.240 1.00 0.00 C ATOM 532 CD ARG A 37 -5.433 -4.914 9.402 1.00 0.00 C ATOM 533 NE ARG A 37 -5.542 -5.349 10.792 1.00 0.00 N ATOM 534 CZ ARG A 37 -5.699 -6.617 11.155 1.00 0.00 C ATOM 535 NH1 ARG A 37 -5.765 -7.570 10.236 1.00 0.00 N ATOM 536 NH2 ARG A 37 -5.790 -6.933 12.440 1.00 0.00 N ATOM 0 H ARG A 37 -4.051 -1.774 8.269 1.00 0.00 H new ATOM 0 HA ARG A 37 -6.294 -1.543 6.373 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.301 -3.315 7.766 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.741 -3.798 7.131 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -4.868 -2.844 9.467 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.522 -3.150 9.958 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.111 -5.502 8.784 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.423 -5.107 9.040 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.495 -4.640 11.524 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.695 -7.330 9.247 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.886 -8.543 10.518 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.739 -6.202 13.150 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -5.911 -7.907 12.718 1.00 0.00 H new ATOM 550 N TYR A 38 -8.058 -0.769 8.204 1.00 0.00 N ATOM 551 CA TYR A 38 -8.914 0.100 9.002 1.00 0.00 C ATOM 552 C TYR A 38 -9.330 -0.586 10.300 1.00 0.00 C ATOM 553 O TYR A 38 -9.521 -1.802 10.338 1.00 0.00 O ATOM 554 CB TYR A 38 -10.156 0.500 8.203 1.00 0.00 C ATOM 555 CG TYR A 38 -9.840 1.216 6.910 1.00 0.00 C ATOM 556 CD1 TYR A 38 -9.664 2.594 6.880 1.00 0.00 C ATOM 557 CD2 TYR A 38 -9.715 0.514 5.717 1.00 0.00 C ATOM 558 CE1 TYR A 38 -9.376 3.252 5.701 1.00 0.00 C ATOM 559 CE2 TYR A 38 -9.425 1.164 4.533 1.00 0.00 C ATOM 560 CZ TYR A 38 -9.257 2.533 4.530 1.00 0.00 C ATOM 561 OH TYR A 38 -8.968 3.185 3.353 1.00 0.00 O ATOM 0 H TYR A 38 -8.561 -1.405 7.586 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.346 0.996 9.252 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -10.738 -0.394 7.980 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -10.783 1.143 8.820 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.754 3.160 7.795 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -9.847 -0.558 5.716 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.245 4.324 5.696 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -9.330 0.603 3.615 1.00 0.00 H new ATOM 0 HH TYR A 38 -8.918 2.534 2.622 1.00 0.00 H new ATOM 571 N ASP A 39 -9.468 0.202 11.360 1.00 0.00 N ATOM 572 CA ASP A 39 -9.862 -0.328 12.660 1.00 0.00 C ATOM 573 C ASP A 39 -11.168 0.305 13.132 1.00 0.00 C ATOM 574 O ASP A 39 -11.557 0.161 14.290 1.00 0.00 O ATOM 575 CB ASP A 39 -8.760 -0.081 13.691 1.00 0.00 C ATOM 576 CG ASP A 39 -8.726 -1.146 14.769 1.00 0.00 C ATOM 577 OD1 ASP A 39 -9.795 -1.716 15.074 1.00 0.00 O ATOM 578 OD2 ASP A 39 -7.631 -1.410 15.310 1.00 0.00 O ATOM 0 H ASP A 39 -9.313 1.210 11.345 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.016 -1.402 12.555 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.795 -0.049 13.186 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.911 0.895 14.153 1.00 0.00 H new ATOM 583 N GLY A 40 -11.840 1.008 12.225 1.00 0.00 N ATOM 584 CA GLY A 40 -13.093 1.654 12.568 1.00 0.00 C ATOM 585 C GLY A 40 -13.114 3.120 12.183 1.00 0.00 C ATOM 586 O GLY A 40 -13.104 3.996 13.048 1.00 0.00 O ATOM 0 H GLY A 40 -11.539 1.141 11.260 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.913 1.138 12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.265 1.561 13.640 1.00 0.00 H new ATOM 590 N ALA A 41 -13.143 3.389 10.882 1.00 0.00 N ATOM 591 CA ALA A 41 -13.166 4.759 10.385 1.00 0.00 C ATOM 592 C ALA A 41 -11.831 5.454 10.631 1.00 0.00 C ATOM 593 O ALA A 41 -11.767 6.679 10.740 1.00 0.00 O ATOM 594 CB ALA A 41 -14.297 5.539 11.039 1.00 0.00 C ATOM 0 H ALA A 41 -13.151 2.676 10.153 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.337 4.726 9.309 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -14.302 6.560 10.658 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.249 5.061 10.809 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.151 5.555 12.119 1.00 0.00 H new ATOM 600 N THR A 42 -10.765 4.665 10.717 1.00 0.00 N ATOM 601 CA THR A 42 -9.431 5.204 10.952 1.00 0.00 C ATOM 602 C THR A 42 -8.355 4.231 10.485 1.00 0.00 C ATOM 603 O THR A 42 -8.223 3.131 11.024 1.00 0.00 O ATOM 604 CB THR A 42 -9.208 5.523 12.442 1.00 0.00 C ATOM 605 OG1 THR A 42 -10.391 6.106 13.001 1.00 0.00 O ATOM 606 CG2 THR A 42 -8.034 6.473 12.623 1.00 0.00 C ATOM 0 H THR A 42 -10.799 3.650 10.627 1.00 0.00 H new ATOM 0 HA THR A 42 -9.357 6.127 10.376 1.00 0.00 H new ATOM 0 HB THR A 42 -8.983 4.591 12.960 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.241 6.304 13.949 1.00 0.00 H new ATOM 0 HG21 THR A 42 -7.896 6.683 13.684 1.00 0.00 H new ATOM 0 HG22 THR A 42 -7.130 6.014 12.224 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.234 7.403 12.092 1.00 0.00 H new ATOM 614 N ILE A 43 -7.586 4.642 9.482 1.00 0.00 N ATOM 615 CA ILE A 43 -6.520 3.806 8.945 1.00 0.00 C ATOM 616 C ILE A 43 -5.432 3.567 9.987 1.00 0.00 C ATOM 617 O ILE A 43 -4.906 4.509 10.579 1.00 0.00 O ATOM 618 CB ILE A 43 -5.885 4.439 7.693 1.00 0.00 C ATOM 619 CG1 ILE A 43 -6.939 4.624 6.599 1.00 0.00 C ATOM 620 CG2 ILE A 43 -4.737 3.578 7.188 1.00 0.00 C ATOM 621 CD1 ILE A 43 -6.585 5.698 5.594 1.00 0.00 C ATOM 0 H ILE A 43 -7.682 5.549 9.025 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.973 2.854 8.671 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.489 5.419 7.961 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.077 3.678 6.075 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -7.893 4.873 7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.299 4.039 6.303 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.978 3.491 7.965 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.111 2.586 6.933 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.377 5.774 4.849 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.476 6.654 6.106 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.647 5.441 5.102 1.00 0.00 H new ATOM 633 N VAL A 44 -5.097 2.299 10.204 1.00 0.00 N ATOM 634 CA VAL A 44 -4.070 1.935 11.172 1.00 0.00 C ATOM 635 C VAL A 44 -3.201 0.796 10.649 1.00 0.00 C ATOM 636 O VAL A 44 -3.669 -0.106 9.955 1.00 0.00 O ATOM 637 CB VAL A 44 -4.689 1.517 12.519 1.00 0.00 C ATOM 638 CG1 VAL A 44 -5.587 2.620 13.059 1.00 0.00 C ATOM 639 CG2 VAL A 44 -5.462 0.215 12.368 1.00 0.00 C ATOM 0 H VAL A 44 -5.522 1.507 9.722 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.452 2.820 11.325 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.883 1.354 13.235 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.016 2.307 14.011 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.001 3.527 13.206 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.389 2.817 12.348 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.893 -0.066 13.329 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.260 0.348 11.638 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.788 -0.571 12.029 1.00 0.00 H new ATOM 649 N PRO A 45 -1.905 0.835 10.990 1.00 0.00 N ATOM 650 CA PRO A 45 -0.942 -0.186 10.567 1.00 0.00 C ATOM 651 C PRO A 45 -1.415 -1.598 10.894 1.00 0.00 C ATOM 652 O PRO A 45 -1.494 -1.984 12.060 1.00 0.00 O ATOM 653 CB PRO A 45 0.315 0.155 11.371 1.00 0.00 C ATOM 654 CG PRO A 45 0.193 1.610 11.664 1.00 0.00 C ATOM 655 CD PRO A 45 -1.278 1.882 11.816 1.00 0.00 C ATOM 0 HA PRO A 45 -0.789 -0.179 9.488 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.369 -0.431 12.289 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.220 -0.060 10.802 1.00 0.00 H new ATOM 0 HG2 PRO A 45 0.734 1.871 12.574 1.00 0.00 H new ATOM 0 HG3 PRO A 45 0.619 2.207 10.858 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.594 1.815 12.857 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.540 2.881 11.467 1.00 0.00 H new ATOM 663 N GLY A 46 -1.730 -2.367 9.856 1.00 0.00 N ATOM 664 CA GLY A 46 -2.191 -3.728 10.053 1.00 0.00 C ATOM 665 C GLY A 46 -1.053 -4.693 10.320 1.00 0.00 C ATOM 666 O GLY A 46 -0.513 -4.736 11.425 1.00 0.00 O ATOM 0 H GLY A 46 -1.674 -2.071 8.882 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.889 -3.754 10.890 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.740 -4.054 9.169 1.00 0.00 H new ATOM 670 N ASP A 47 -0.689 -5.470 9.306 1.00 0.00 N ATOM 671 CA ASP A 47 0.392 -6.440 9.436 1.00 0.00 C ATOM 672 C ASP A 47 1.742 -5.791 9.147 1.00 0.00 C ATOM 673 O ASP A 47 1.807 -4.654 8.682 1.00 0.00 O ATOM 674 CB ASP A 47 0.166 -7.619 8.488 1.00 0.00 C ATOM 675 CG ASP A 47 -1.168 -8.301 8.720 1.00 0.00 C ATOM 676 OD1 ASP A 47 -1.283 -9.060 9.705 1.00 0.00 O ATOM 677 OD2 ASP A 47 -2.097 -8.074 7.917 1.00 0.00 O ATOM 0 H ASP A 47 -1.127 -5.447 8.385 1.00 0.00 H new ATOM 0 HA ASP A 47 0.397 -6.806 10.463 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.217 -7.268 7.457 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.969 -8.345 8.617 1.00 0.00 H new ATOM 682 N GLN A 48 2.817 -6.522 9.428 1.00 0.00 N ATOM 683 CA GLN A 48 4.165 -6.016 9.200 1.00 0.00 C ATOM 684 C GLN A 48 5.193 -7.136 9.314 1.00 0.00 C ATOM 685 O GLN A 48 5.100 -7.991 10.193 1.00 0.00 O ATOM 686 CB GLN A 48 4.491 -4.904 10.198 1.00 0.00 C ATOM 687 CG GLN A 48 5.789 -4.173 9.893 1.00 0.00 C ATOM 688 CD GLN A 48 6.161 -3.172 10.969 1.00 0.00 C ATOM 689 OE1 GLN A 48 7.108 -3.382 11.728 1.00 0.00 O ATOM 690 NE2 GLN A 48 5.417 -2.075 11.040 1.00 0.00 N ATOM 0 H GLN A 48 2.780 -7.466 9.814 1.00 0.00 H new ATOM 0 HA GLN A 48 4.208 -5.610 8.189 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.672 -4.184 10.208 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.551 -5.332 11.199 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.594 -4.900 9.784 1.00 0.00 H new ATOM 0 HG3 GLN A 48 5.695 -3.656 8.938 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.642 -1.942 10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.621 -1.365 11.744 1.00 0.00 H new ATOM 699 N GLY A 49 6.176 -7.125 8.417 1.00 0.00 N ATOM 700 CA GLY A 49 7.207 -8.145 8.435 1.00 0.00 C ATOM 701 C GLY A 49 8.174 -8.012 7.275 1.00 0.00 C ATOM 702 O GLY A 49 7.985 -7.174 6.394 1.00 0.00 O ATOM 0 H GLY A 49 6.276 -6.428 7.679 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.759 -8.083 9.373 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.740 -9.130 8.404 1.00 0.00 H new ATOM 706 N ALA A 50 9.214 -8.840 7.275 1.00 0.00 N ATOM 707 CA ALA A 50 10.214 -8.811 6.215 1.00 0.00 C ATOM 708 C ALA A 50 9.912 -9.857 5.147 1.00 0.00 C ATOM 709 O ALA A 50 10.411 -9.775 4.025 1.00 0.00 O ATOM 710 CB ALA A 50 11.603 -9.031 6.794 1.00 0.00 C ATOM 0 H ALA A 50 9.386 -9.539 7.998 1.00 0.00 H new ATOM 0 HA ALA A 50 10.180 -7.829 5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.340 -9.007 5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.826 -8.244 7.515 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.640 -10.000 7.292 1.00 0.00 H new ATOM 716 N ASP A 51 9.092 -10.840 5.504 1.00 0.00 N ATOM 717 CA ASP A 51 8.724 -11.903 4.575 1.00 0.00 C ATOM 718 C ASP A 51 7.534 -11.486 3.717 1.00 0.00 C ATOM 719 O ASP A 51 6.397 -11.452 4.188 1.00 0.00 O ATOM 720 CB ASP A 51 8.392 -13.185 5.340 1.00 0.00 C ATOM 721 CG ASP A 51 8.686 -14.434 4.533 1.00 0.00 C ATOM 722 OD1 ASP A 51 9.783 -14.513 3.941 1.00 0.00 O ATOM 723 OD2 ASP A 51 7.819 -15.332 4.491 1.00 0.00 O ATOM 0 H ASP A 51 8.670 -10.923 6.429 1.00 0.00 H new ATOM 0 HA ASP A 51 9.574 -12.090 3.919 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.966 -13.211 6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.338 -13.176 5.619 1.00 0.00 H new ATOM 728 N TYR A 52 7.804 -11.167 2.456 1.00 0.00 N ATOM 729 CA TYR A 52 6.756 -10.749 1.532 1.00 0.00 C ATOM 730 C TYR A 52 5.638 -11.785 1.471 1.00 0.00 C ATOM 731 O TYR A 52 4.484 -11.452 1.204 1.00 0.00 O ATOM 732 CB TYR A 52 7.338 -10.526 0.135 1.00 0.00 C ATOM 733 CG TYR A 52 6.497 -9.619 -0.734 1.00 0.00 C ATOM 734 CD1 TYR A 52 5.343 -10.087 -1.349 1.00 0.00 C ATOM 735 CD2 TYR A 52 6.857 -8.292 -0.939 1.00 0.00 C ATOM 736 CE1 TYR A 52 4.572 -9.261 -2.144 1.00 0.00 C ATOM 737 CE2 TYR A 52 6.091 -7.459 -1.731 1.00 0.00 C ATOM 738 CZ TYR A 52 4.950 -7.948 -2.332 1.00 0.00 C ATOM 739 OH TYR A 52 4.184 -7.121 -3.122 1.00 0.00 O ATOM 0 H TYR A 52 8.740 -11.190 2.050 1.00 0.00 H new ATOM 0 HA TYR A 52 6.337 -9.811 1.897 1.00 0.00 H new ATOM 0 HB2 TYR A 52 8.337 -10.100 0.231 1.00 0.00 H new ATOM 0 HB3 TYR A 52 7.449 -11.490 -0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.043 -11.114 -1.203 1.00 0.00 H new ATOM 0 HD2 TYR A 52 7.751 -7.906 -0.471 1.00 0.00 H new ATOM 0 HE1 TYR A 52 3.678 -9.641 -2.616 1.00 0.00 H new ATOM 0 HE2 TYR A 52 6.384 -6.430 -1.879 1.00 0.00 H new ATOM 0 HH TYR A 52 3.645 -7.662 -3.736 1.00 0.00 H new ATOM 749 N GLN A 53 5.990 -13.042 1.720 1.00 0.00 N ATOM 750 CA GLN A 53 5.017 -14.127 1.694 1.00 0.00 C ATOM 751 C GLN A 53 4.017 -13.990 2.837 1.00 0.00 C ATOM 752 O GLN A 53 2.918 -14.541 2.783 1.00 0.00 O ATOM 753 CB GLN A 53 5.727 -15.479 1.780 1.00 0.00 C ATOM 754 CG GLN A 53 6.537 -15.822 0.540 1.00 0.00 C ATOM 755 CD GLN A 53 5.678 -15.941 -0.703 1.00 0.00 C ATOM 756 OE1 GLN A 53 5.222 -17.029 -1.055 1.00 0.00 O ATOM 757 NE2 GLN A 53 5.452 -14.819 -1.377 1.00 0.00 N ATOM 0 H GLN A 53 6.942 -13.334 1.942 1.00 0.00 H new ATOM 0 HA GLN A 53 4.472 -14.070 0.752 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.388 -15.478 2.647 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.985 -16.260 1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.294 -15.054 0.382 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.065 -16.762 0.704 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.850 -13.939 -1.050 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.881 -14.838 -2.222 1.00 0.00 H new ATOM 766 N HIS A 54 4.407 -13.252 3.872 1.00 0.00 N ATOM 767 CA HIS A 54 3.544 -13.042 5.029 1.00 0.00 C ATOM 768 C HIS A 54 2.514 -11.952 4.749 1.00 0.00 C ATOM 769 O HIS A 54 1.427 -11.947 5.326 1.00 0.00 O ATOM 770 CB HIS A 54 4.380 -12.668 6.254 1.00 0.00 C ATOM 771 CG HIS A 54 4.817 -13.849 7.064 1.00 0.00 C ATOM 772 ND1 HIS A 54 5.291 -13.742 8.355 1.00 0.00 N ATOM 773 CD2 HIS A 54 4.848 -15.168 6.761 1.00 0.00 C ATOM 774 CE1 HIS A 54 5.596 -14.944 8.810 1.00 0.00 C ATOM 775 NE2 HIS A 54 5.336 -15.827 7.862 1.00 0.00 N ATOM 0 H HIS A 54 5.314 -12.790 3.933 1.00 0.00 H new ATOM 0 HA HIS A 54 3.015 -13.973 5.230 1.00 0.00 H new ATOM 0 HB2 HIS A 54 5.261 -12.116 5.927 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.800 -11.997 6.888 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.545 -15.618 5.827 1.00 0.00 H new ATOM 0 HE1 HIS A 54 5.991 -15.167 9.790 1.00 0.00 H new ATOM 0 HE2 HIS A 54 5.475 -16.835 7.936 1.00 0.00 H new ATOM 784 N PHE A 55 2.865 -11.028 3.859 1.00 0.00 N ATOM 785 CA PHE A 55 1.972 -9.932 3.504 1.00 0.00 C ATOM 786 C PHE A 55 0.848 -10.419 2.593 1.00 0.00 C ATOM 787 O PHE A 55 -0.322 -10.102 2.810 1.00 0.00 O ATOM 788 CB PHE A 55 2.754 -8.812 2.813 1.00 0.00 C ATOM 789 CG PHE A 55 1.989 -8.139 1.710 1.00 0.00 C ATOM 790 CD1 PHE A 55 0.889 -7.346 1.996 1.00 0.00 C ATOM 791 CD2 PHE A 55 2.370 -8.298 0.388 1.00 0.00 C ATOM 792 CE1 PHE A 55 0.183 -6.726 0.982 1.00 0.00 C ATOM 793 CE2 PHE A 55 1.668 -7.679 -0.630 1.00 0.00 C ATOM 794 CZ PHE A 55 0.574 -6.892 -0.332 1.00 0.00 C ATOM 0 H PHE A 55 3.761 -11.017 3.371 1.00 0.00 H new ATOM 0 HA PHE A 55 1.530 -9.545 4.422 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.037 -8.066 3.556 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.678 -9.223 2.405 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.580 -7.211 3.022 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.225 -8.913 0.149 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.674 -6.112 1.217 1.00 0.00 H new ATOM 0 HE2 PHE A 55 1.975 -7.811 -1.657 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.025 -6.407 -1.125 1.00 0.00 H new ATOM 804 N ILE A 56 1.213 -11.189 1.574 1.00 0.00 N ATOM 805 CA ILE A 56 0.237 -11.720 0.631 1.00 0.00 C ATOM 806 C ILE A 56 -0.753 -12.649 1.327 1.00 0.00 C ATOM 807 O ILE A 56 -1.866 -12.858 0.847 1.00 0.00 O ATOM 808 CB ILE A 56 0.921 -12.486 -0.517 1.00 0.00 C ATOM 809 CG1 ILE A 56 1.855 -11.556 -1.294 1.00 0.00 C ATOM 810 CG2 ILE A 56 -0.121 -13.094 -1.444 1.00 0.00 C ATOM 811 CD1 ILE A 56 2.725 -12.277 -2.300 1.00 0.00 C ATOM 0 H ILE A 56 2.177 -11.459 1.380 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.299 -10.865 0.218 1.00 0.00 H new ATOM 0 HB ILE A 56 1.515 -13.294 -0.091 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.258 -10.806 -1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.493 -11.024 -0.589 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.378 -13.632 -2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.749 -13.785 -0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.740 -12.302 -1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.361 -11.556 -2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.348 -13.008 -1.785 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.094 -12.787 -3.028 1.00 0.00 H new ATOM 823 N GLN A 57 -0.338 -13.201 2.463 1.00 0.00 N ATOM 824 CA GLN A 57 -1.189 -14.106 3.227 1.00 0.00 C ATOM 825 C GLN A 57 -2.227 -13.329 4.030 1.00 0.00 C ATOM 826 O GLN A 57 -3.020 -13.915 4.767 1.00 0.00 O ATOM 827 CB GLN A 57 -0.341 -14.966 4.165 1.00 0.00 C ATOM 828 CG GLN A 57 0.292 -16.168 3.483 1.00 0.00 C ATOM 829 CD GLN A 57 -0.675 -16.899 2.573 1.00 0.00 C ATOM 830 OE1 GLN A 57 -1.391 -17.803 3.006 1.00 0.00 O ATOM 831 NE2 GLN A 57 -0.702 -16.511 1.303 1.00 0.00 N ATOM 0 H GLN A 57 0.581 -13.038 2.874 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.711 -14.754 2.523 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.446 -14.349 4.598 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.964 -15.313 4.989 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.154 -15.839 2.902 1.00 0.00 H new ATOM 0 HG3 GLN A 57 0.663 -16.857 4.241 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.091 -15.758 0.987 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.333 -16.966 0.644 1.00 0.00 H new ATOM 840 N GLN A 58 -2.217 -12.009 3.881 1.00 0.00 N ATOM 841 CA GLN A 58 -3.158 -11.153 4.593 1.00 0.00 C ATOM 842 C GLN A 58 -4.189 -10.563 3.637 1.00 0.00 C ATOM 843 O GLN A 58 -5.337 -10.326 4.015 1.00 0.00 O ATOM 844 CB GLN A 58 -2.413 -10.029 5.315 1.00 0.00 C ATOM 845 CG GLN A 58 -1.048 -10.444 5.840 1.00 0.00 C ATOM 846 CD GLN A 58 -1.118 -11.058 7.225 1.00 0.00 C ATOM 847 OE1 GLN A 58 -2.070 -10.828 7.971 1.00 0.00 O ATOM 848 NE2 GLN A 58 -0.108 -11.845 7.575 1.00 0.00 N ATOM 0 H GLN A 58 -1.568 -11.509 3.274 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.680 -11.765 5.329 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.290 -9.188 4.632 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.022 -9.677 6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.600 -11.160 5.151 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -0.392 -9.574 5.865 1.00 0.00 H new ATOM 0 HE21 GLN A 58 0.661 -12.008 6.925 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -0.101 -12.287 8.494 1.00 0.00 H new ATOM 857 N CYS A 59 -3.772 -10.327 2.398 1.00 0.00 N ATOM 858 CA CYS A 59 -4.660 -9.763 1.386 1.00 0.00 C ATOM 859 C CYS A 59 -5.550 -10.844 0.781 1.00 0.00 C ATOM 860 O CYS A 59 -5.064 -11.788 0.159 1.00 0.00 O ATOM 861 CB CYS A 59 -3.845 -9.081 0.286 1.00 0.00 C ATOM 862 SG CYS A 59 -2.646 -7.874 0.897 1.00 0.00 S ATOM 0 H CYS A 59 -2.825 -10.517 2.070 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.297 -9.022 1.869 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.317 -9.844 -0.286 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.528 -8.582 -0.402 1.00 0.00 H new ATOM 0 HG CYS A 59 -1.516 -8.031 0.274 1.00 0.00 H new ATOM 868 N THR A 60 -6.858 -10.699 0.969 1.00 0.00 N ATOM 869 CA THR A 60 -7.817 -11.664 0.445 1.00 0.00 C ATOM 870 C THR A 60 -9.035 -10.963 -0.145 1.00 0.00 C ATOM 871 O THR A 60 -9.153 -9.739 -0.076 1.00 0.00 O ATOM 872 CB THR A 60 -8.282 -12.645 1.538 1.00 0.00 C ATOM 873 OG1 THR A 60 -9.081 -11.956 2.506 1.00 0.00 O ATOM 874 CG2 THR A 60 -7.090 -13.294 2.225 1.00 0.00 C ATOM 0 H THR A 60 -7.278 -9.922 1.480 1.00 0.00 H new ATOM 0 HA THR A 60 -7.307 -12.222 -0.340 1.00 0.00 H new ATOM 0 HB THR A 60 -8.878 -13.426 1.066 1.00 0.00 H new ATOM 0 HG1 THR A 60 -9.374 -12.586 3.197 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.443 -13.982 2.993 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.500 -13.842 1.490 1.00 0.00 H new ATOM 0 HG23 THR A 60 -6.471 -12.524 2.685 1.00 0.00 H new ATOM 882 N ASP A 61 -9.940 -11.745 -0.724 1.00 0.00 N ATOM 883 CA ASP A 61 -11.151 -11.199 -1.324 1.00 0.00 C ATOM 884 C ASP A 61 -12.154 -10.792 -0.249 1.00 0.00 C ATOM 885 O ASP A 61 -13.277 -10.389 -0.555 1.00 0.00 O ATOM 886 CB ASP A 61 -11.784 -12.222 -2.269 1.00 0.00 C ATOM 887 CG ASP A 61 -10.761 -12.889 -3.168 1.00 0.00 C ATOM 888 OD1 ASP A 61 -9.692 -12.287 -3.400 1.00 0.00 O ATOM 889 OD2 ASP A 61 -11.031 -14.014 -3.640 1.00 0.00 O ATOM 0 H ASP A 61 -9.857 -12.759 -0.790 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.876 -10.311 -1.894 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -12.300 -12.983 -1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -12.537 -11.728 -2.884 1.00 0.00 H new ATOM 894 N ASP A 62 -11.742 -10.901 1.009 1.00 0.00 N ATOM 895 CA ASP A 62 -12.605 -10.544 2.129 1.00 0.00 C ATOM 896 C ASP A 62 -11.975 -9.438 2.969 1.00 0.00 C ATOM 897 O ASP A 62 -12.334 -9.245 4.131 1.00 0.00 O ATOM 898 CB ASP A 62 -12.878 -11.771 3.001 1.00 0.00 C ATOM 899 CG ASP A 62 -13.591 -12.873 2.242 1.00 0.00 C ATOM 900 OD1 ASP A 62 -14.255 -12.564 1.231 1.00 0.00 O ATOM 901 OD2 ASP A 62 -13.484 -14.045 2.659 1.00 0.00 O ATOM 0 H ASP A 62 -10.816 -11.234 1.279 1.00 0.00 H new ATOM 0 HA ASP A 62 -13.549 -10.177 1.726 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.935 -12.154 3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -13.481 -11.476 3.860 1.00 0.00 H new ATOM 906 N VAL A 63 -11.032 -8.714 2.374 1.00 0.00 N ATOM 907 CA VAL A 63 -10.352 -7.627 3.068 1.00 0.00 C ATOM 908 C VAL A 63 -9.703 -6.665 2.078 1.00 0.00 C ATOM 909 O VAL A 63 -9.407 -7.034 0.942 1.00 0.00 O ATOM 910 CB VAL A 63 -9.274 -8.162 4.029 1.00 0.00 C ATOM 911 CG1 VAL A 63 -8.194 -8.907 3.259 1.00 0.00 C ATOM 912 CG2 VAL A 63 -8.672 -7.024 4.840 1.00 0.00 C ATOM 0 H VAL A 63 -10.722 -8.861 1.413 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.110 -7.096 3.644 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.743 -8.863 4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.441 -9.278 3.955 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.640 -9.747 2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.725 -8.231 2.544 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.912 -7.420 5.514 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.217 -6.298 4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.455 -6.538 5.422 1.00 0.00 H new ATOM 922 N ARG A 64 -9.485 -5.430 2.519 1.00 0.00 N ATOM 923 CA ARG A 64 -8.871 -4.414 1.672 1.00 0.00 C ATOM 924 C ARG A 64 -8.038 -3.444 2.503 1.00 0.00 C ATOM 925 O ARG A 64 -8.472 -2.984 3.559 1.00 0.00 O ATOM 926 CB ARG A 64 -9.946 -3.648 0.899 1.00 0.00 C ATOM 927 CG ARG A 64 -10.858 -2.816 1.786 1.00 0.00 C ATOM 928 CD ARG A 64 -11.948 -3.667 2.417 1.00 0.00 C ATOM 929 NE ARG A 64 -12.631 -2.965 3.501 1.00 0.00 N ATOM 930 CZ ARG A 64 -12.101 -2.779 4.705 1.00 0.00 C ATOM 931 NH1 ARG A 64 -10.887 -3.239 4.976 1.00 0.00 N ATOM 932 NH2 ARG A 64 -12.784 -2.131 5.639 1.00 0.00 N ATOM 0 H ARG A 64 -9.724 -5.109 3.457 1.00 0.00 H new ATOM 0 HA ARG A 64 -8.212 -4.916 0.964 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -9.463 -2.993 0.174 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -10.551 -4.358 0.335 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.269 -2.338 2.569 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.312 -2.019 1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.674 -3.951 1.655 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.512 -4.589 2.800 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.566 -2.598 3.324 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.358 -3.737 4.259 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.482 -3.095 5.901 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -13.717 -1.775 5.433 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.376 -1.989 6.563 1.00 0.00 H new ATOM 946 N LEU A 65 -6.839 -3.137 2.020 1.00 0.00 N ATOM 947 CA LEU A 65 -5.944 -2.222 2.719 1.00 0.00 C ATOM 948 C LEU A 65 -4.697 -1.939 1.887 1.00 0.00 C ATOM 949 O LEU A 65 -4.449 -2.597 0.876 1.00 0.00 O ATOM 950 CB LEU A 65 -5.545 -2.804 4.077 1.00 0.00 C ATOM 951 CG LEU A 65 -4.968 -4.218 4.030 1.00 0.00 C ATOM 952 CD1 LEU A 65 -6.033 -5.216 3.604 1.00 0.00 C ATOM 953 CD2 LEU A 65 -3.774 -4.276 3.089 1.00 0.00 C ATOM 0 H LEU A 65 -6.464 -3.508 1.147 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.475 -1.283 2.876 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.810 -2.143 4.537 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.421 -2.807 4.726 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.630 -4.484 5.031 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.603 -6.217 3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.858 -5.195 4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.403 -4.953 2.613 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.376 -5.291 3.068 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -4.087 -3.988 2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.002 -3.591 3.438 1.00 0.00 H new ATOM 965 N PHE A 66 -3.914 -0.956 2.320 1.00 0.00 N ATOM 966 CA PHE A 66 -2.693 -0.585 1.615 1.00 0.00 C ATOM 967 C PHE A 66 -1.515 -1.436 2.082 1.00 0.00 C ATOM 968 O PHE A 66 -1.523 -1.971 3.190 1.00 0.00 O ATOM 969 CB PHE A 66 -2.384 0.898 1.833 1.00 0.00 C ATOM 970 CG PHE A 66 -3.572 1.794 1.631 1.00 0.00 C ATOM 971 CD1 PHE A 66 -4.542 1.913 2.614 1.00 0.00 C ATOM 972 CD2 PHE A 66 -3.719 2.518 0.459 1.00 0.00 C ATOM 973 CE1 PHE A 66 -5.636 2.736 2.431 1.00 0.00 C ATOM 974 CE2 PHE A 66 -4.812 3.343 0.270 1.00 0.00 C ATOM 975 CZ PHE A 66 -5.771 3.453 1.258 1.00 0.00 C ATOM 0 H PHE A 66 -4.104 -0.402 3.155 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.848 -0.764 0.551 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.002 1.036 2.845 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.591 1.200 1.149 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.441 1.356 3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.971 2.437 -0.316 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.385 2.819 3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.916 3.901 -0.649 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.625 4.098 1.114 1.00 0.00 H new ATOM 985 N ALA A 67 -0.504 -1.555 1.227 1.00 0.00 N ATOM 986 CA ALA A 67 0.681 -2.339 1.552 1.00 0.00 C ATOM 987 C ALA A 67 1.947 -1.651 1.054 1.00 0.00 C ATOM 988 O ALA A 67 2.257 -1.684 -0.137 1.00 0.00 O ATOM 989 CB ALA A 67 0.569 -3.736 0.958 1.00 0.00 C ATOM 0 H ALA A 67 -0.482 -1.119 0.305 1.00 0.00 H new ATOM 0 HA ALA A 67 0.746 -2.421 2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.461 -4.310 1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.310 -4.235 1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.476 -3.664 -0.126 1.00 0.00 H new ATOM 995 N PHE A 68 2.676 -1.027 1.974 1.00 0.00 N ATOM 996 CA PHE A 68 3.909 -0.329 1.628 1.00 0.00 C ATOM 997 C PHE A 68 5.097 -1.286 1.638 1.00 0.00 C ATOM 998 O PHE A 68 5.533 -1.741 2.695 1.00 0.00 O ATOM 999 CB PHE A 68 4.159 0.823 2.604 1.00 0.00 C ATOM 1000 CG PHE A 68 5.387 1.625 2.283 1.00 0.00 C ATOM 1001 CD1 PHE A 68 6.650 1.090 2.475 1.00 0.00 C ATOM 1002 CD2 PHE A 68 5.278 2.915 1.789 1.00 0.00 C ATOM 1003 CE1 PHE A 68 7.783 1.826 2.180 1.00 0.00 C ATOM 1004 CE2 PHE A 68 6.407 3.655 1.492 1.00 0.00 C ATOM 1005 CZ PHE A 68 7.661 3.110 1.689 1.00 0.00 C ATOM 0 H PHE A 68 2.434 -0.991 2.964 1.00 0.00 H new ATOM 0 HA PHE A 68 3.799 0.074 0.621 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.292 1.484 2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.251 0.420 3.613 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.751 0.086 2.860 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.300 3.347 1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 68 8.762 1.397 2.334 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.309 4.659 1.106 1.00 0.00 H new ATOM 0 HZ PHE A 68 8.544 3.688 1.459 1.00 0.00 H new ATOM 1015 N VAL A 69 5.616 -1.587 0.452 1.00 0.00 N ATOM 1016 CA VAL A 69 6.754 -2.489 0.322 1.00 0.00 C ATOM 1017 C VAL A 69 7.958 -1.773 -0.279 1.00 0.00 C ATOM 1018 O VAL A 69 7.812 -0.923 -1.157 1.00 0.00 O ATOM 1019 CB VAL A 69 6.407 -3.708 -0.553 1.00 0.00 C ATOM 1020 CG1 VAL A 69 7.567 -4.691 -0.585 1.00 0.00 C ATOM 1021 CG2 VAL A 69 5.140 -4.383 -0.049 1.00 0.00 C ATOM 0 H VAL A 69 5.266 -1.219 -0.433 1.00 0.00 H new ATOM 0 HA VAL A 69 7.003 -2.831 1.327 1.00 0.00 H new ATOM 0 HB VAL A 69 6.227 -3.362 -1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.303 -5.545 -1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.449 -4.200 -0.997 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.782 -5.033 0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.910 -5.242 -0.679 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.289 -4.716 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.312 -3.675 -0.084 1.00 0.00 H new ATOM 1031 N ARG A 70 9.147 -2.122 0.201 1.00 0.00 N ATOM 1032 CA ARG A 70 10.377 -1.511 -0.289 1.00 0.00 C ATOM 1033 C ARG A 70 10.979 -2.335 -1.424 1.00 0.00 C ATOM 1034 O ARG A 70 11.029 -3.563 -1.355 1.00 0.00 O ATOM 1035 CB ARG A 70 11.391 -1.373 0.849 1.00 0.00 C ATOM 1036 CG ARG A 70 12.757 -0.888 0.392 1.00 0.00 C ATOM 1037 CD ARG A 70 13.828 -1.177 1.433 1.00 0.00 C ATOM 1038 NE ARG A 70 15.154 -1.300 0.834 1.00 0.00 N ATOM 1039 CZ ARG A 70 16.284 -1.095 1.502 1.00 0.00 C ATOM 1040 NH1 ARG A 70 16.248 -0.760 2.784 1.00 0.00 N ATOM 1041 NH2 ARG A 70 17.452 -1.226 0.888 1.00 0.00 N ATOM 0 H ARG A 70 9.285 -2.824 0.928 1.00 0.00 H new ATOM 0 HA ARG A 70 10.134 -0.520 -0.672 1.00 0.00 H new ATOM 0 HB2 ARG A 70 10.998 -0.679 1.592 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.504 -2.338 1.343 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.021 -1.373 -0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.717 0.184 0.197 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.838 -0.378 2.174 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.582 -2.098 1.961 1.00 0.00 H new ATOM 0 HE ARG A 70 15.216 -1.557 -0.151 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.351 -0.659 3.260 1.00 0.00 H new ATOM 0 HH12 ARG A 70 17.117 -0.603 3.295 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.484 -1.484 -0.098 1.00 0.00 H new ATOM 0 HH22 ARG A 70 18.319 -1.068 1.402 1.00 0.00 H new ATOM 1239 N PHE A 83 10.051 2.123 -3.296 1.00 0.00 N ATOM 1240 CA PHE A 83 8.891 1.546 -2.627 1.00 0.00 C ATOM 1241 C PHE A 83 7.643 1.675 -3.495 1.00 0.00 C ATOM 1242 O PHE A 83 7.722 2.057 -4.662 1.00 0.00 O ATOM 1243 CB PHE A 83 8.661 2.230 -1.278 1.00 0.00 C ATOM 1244 CG PHE A 83 9.930 2.524 -0.531 1.00 0.00 C ATOM 1245 CD1 PHE A 83 10.694 3.635 -0.847 1.00 0.00 C ATOM 1246 CD2 PHE A 83 10.359 1.688 0.487 1.00 0.00 C ATOM 1247 CE1 PHE A 83 11.862 3.909 -0.160 1.00 0.00 C ATOM 1248 CE2 PHE A 83 11.526 1.956 1.177 1.00 0.00 C ATOM 1249 CZ PHE A 83 12.279 3.067 0.852 1.00 0.00 C ATOM 0 HA PHE A 83 9.088 0.487 -2.460 1.00 0.00 H new ATOM 0 HB2 PHE A 83 8.120 3.162 -1.440 1.00 0.00 H new ATOM 0 HB3 PHE A 83 8.025 1.595 -0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 83 10.374 4.295 -1.639 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.775 0.817 0.744 1.00 0.00 H new ATOM 0 HE1 PHE A 83 12.447 4.780 -0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.849 1.297 1.970 1.00 0.00 H new ATOM 0 HZ PHE A 83 13.193 3.277 1.388 1.00 0.00 H new ATOM 1259 N ALA A 84 6.491 1.352 -2.916 1.00 0.00 N ATOM 1260 CA ALA A 84 5.225 1.432 -3.635 1.00 0.00 C ATOM 1261 C ALA A 84 4.054 1.074 -2.727 1.00 0.00 C ATOM 1262 O ALA A 84 4.059 0.032 -2.073 1.00 0.00 O ATOM 1263 CB ALA A 84 5.251 0.519 -4.852 1.00 0.00 C ATOM 0 H ALA A 84 6.408 1.032 -1.951 1.00 0.00 H new ATOM 0 HA ALA A 84 5.090 2.461 -3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.300 0.589 -5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 84 6.058 0.823 -5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 84 5.414 -0.510 -4.531 1.00 0.00 H new ATOM 1269 N LEU A 85 3.051 1.945 -2.691 1.00 0.00 N ATOM 1270 CA LEU A 85 1.873 1.721 -1.862 1.00 0.00 C ATOM 1271 C LEU A 85 0.906 0.756 -2.540 1.00 0.00 C ATOM 1272 O LEU A 85 0.056 1.166 -3.331 1.00 0.00 O ATOM 1273 CB LEU A 85 1.168 3.048 -1.571 1.00 0.00 C ATOM 1274 CG LEU A 85 0.335 3.072 -0.290 1.00 0.00 C ATOM 1275 CD1 LEU A 85 1.183 2.668 0.906 1.00 0.00 C ATOM 1276 CD2 LEU A 85 -0.271 4.450 -0.074 1.00 0.00 C ATOM 0 H LEU A 85 3.031 2.813 -3.227 1.00 0.00 H new ATOM 0 HA LEU A 85 2.200 1.278 -0.922 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.919 3.836 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.519 3.289 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.477 2.352 -0.394 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.573 2.691 1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.569 1.660 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.016 3.363 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.861 4.448 0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.526 5.189 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.913 4.701 -0.918 1.00 0.00 H new ATOM 1288 N ILE A 86 1.042 -0.528 -2.225 1.00 0.00 N ATOM 1289 CA ILE A 86 0.180 -1.551 -2.803 1.00 0.00 C ATOM 1290 C ILE A 86 -1.209 -1.520 -2.174 1.00 0.00 C ATOM 1291 O ILE A 86 -1.419 -2.044 -1.079 1.00 0.00 O ATOM 1292 CB ILE A 86 0.780 -2.958 -2.626 1.00 0.00 C ATOM 1293 CG1 ILE A 86 2.019 -3.124 -3.509 1.00 0.00 C ATOM 1294 CG2 ILE A 86 -0.257 -4.022 -2.954 1.00 0.00 C ATOM 1295 CD1 ILE A 86 3.006 -4.141 -2.982 1.00 0.00 C ATOM 0 H ILE A 86 1.741 -0.884 -1.573 1.00 0.00 H new ATOM 0 HA ILE A 86 0.099 -1.330 -3.867 1.00 0.00 H new ATOM 0 HB ILE A 86 1.080 -3.080 -1.585 1.00 0.00 H new ATOM 0 HG12 ILE A 86 1.705 -3.420 -4.510 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.519 -2.160 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.183 -5.011 -2.824 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.112 -3.915 -2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.585 -3.904 -3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.858 -4.205 -3.659 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.350 -3.836 -1.994 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.523 -5.116 -2.914 1.00 0.00 H new ATOM 1307 N THR A 87 -2.156 -0.904 -2.874 1.00 0.00 N ATOM 1308 CA THR A 87 -3.525 -0.804 -2.385 1.00 0.00 C ATOM 1309 C THR A 87 -4.323 -2.058 -2.725 1.00 0.00 C ATOM 1310 O THR A 87 -4.772 -2.230 -3.858 1.00 0.00 O ATOM 1311 CB THR A 87 -4.245 0.424 -2.974 1.00 0.00 C ATOM 1312 OG1 THR A 87 -3.659 1.626 -2.463 1.00 0.00 O ATOM 1313 CG2 THR A 87 -5.728 0.394 -2.639 1.00 0.00 C ATOM 0 H THR A 87 -2.000 -0.467 -3.782 1.00 0.00 H new ATOM 0 HA THR A 87 -3.466 -0.696 -1.302 1.00 0.00 H new ATOM 0 HB THR A 87 -4.134 0.398 -4.058 1.00 0.00 H new ATOM 0 HG1 THR A 87 -4.059 1.841 -1.595 1.00 0.00 H new ATOM 0 HG21 THR A 87 -6.215 1.271 -3.065 1.00 0.00 H new ATOM 0 HG22 THR A 87 -6.177 -0.508 -3.054 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.857 0.398 -1.557 1.00 0.00 H new ATOM 1321 N TRP A 88 -4.495 -2.930 -1.738 1.00 0.00 N ATOM 1322 CA TRP A 88 -5.240 -4.169 -1.934 1.00 0.00 C ATOM 1323 C TRP A 88 -6.727 -3.956 -1.677 1.00 0.00 C ATOM 1324 O TRP A 88 -7.109 -3.205 -0.778 1.00 0.00 O ATOM 1325 CB TRP A 88 -4.701 -5.263 -1.011 1.00 0.00 C ATOM 1326 CG TRP A 88 -5.553 -6.496 -0.992 1.00 0.00 C ATOM 1327 CD1 TRP A 88 -6.277 -6.975 0.063 1.00 0.00 C ATOM 1328 CD2 TRP A 88 -5.768 -7.407 -2.075 1.00 0.00 C ATOM 1329 NE1 TRP A 88 -6.929 -8.129 -0.300 1.00 0.00 N ATOM 1330 CE2 TRP A 88 -6.633 -8.414 -1.607 1.00 0.00 C ATOM 1331 CE3 TRP A 88 -5.315 -7.468 -3.396 1.00 0.00 C ATOM 1332 CZ2 TRP A 88 -7.052 -9.469 -2.414 1.00 0.00 C ATOM 1333 CZ3 TRP A 88 -5.731 -8.515 -4.195 1.00 0.00 C ATOM 1334 CH2 TRP A 88 -6.593 -9.504 -3.702 1.00 0.00 C ATOM 0 H TRP A 88 -4.129 -2.802 -0.794 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.111 -4.482 -2.970 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -3.693 -5.531 -1.327 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -4.623 -4.868 0.002 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -6.329 -6.515 1.039 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -7.535 -8.683 0.305 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -4.651 -6.710 -3.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.716 -10.232 -2.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -5.386 -8.573 -5.217 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -6.901 -10.310 -4.352 1.00 0.00 H new ATOM 1345 N ILE A 89 -7.561 -4.621 -2.469 1.00 0.00 N ATOM 1346 CA ILE A 89 -9.007 -4.504 -2.324 1.00 0.00 C ATOM 1347 C ILE A 89 -9.706 -5.797 -2.730 1.00 0.00 C ATOM 1348 O ILE A 89 -9.905 -6.062 -3.915 1.00 0.00 O ATOM 1349 CB ILE A 89 -9.566 -3.344 -3.170 1.00 0.00 C ATOM 1350 CG1 ILE A 89 -8.928 -2.020 -2.744 1.00 0.00 C ATOM 1351 CG2 ILE A 89 -11.080 -3.275 -3.039 1.00 0.00 C ATOM 1352 CD1 ILE A 89 -9.189 -0.886 -3.710 1.00 0.00 C ATOM 0 H ILE A 89 -7.261 -5.246 -3.217 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.203 -4.302 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.319 -3.525 -4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -9.307 -1.743 -1.760 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.852 -2.160 -2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.460 -2.451 -3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -11.518 -4.211 -3.386 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.348 -3.114 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -8.707 0.021 -3.345 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.785 -1.142 -4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.263 -0.719 -3.793 1.00 0.00 H new ATOM 1364 N GLY A 90 -10.079 -6.599 -1.737 1.00 0.00 N ATOM 1365 CA GLY A 90 -10.754 -7.854 -2.011 1.00 0.00 C ATOM 1366 C GLY A 90 -11.658 -7.774 -3.225 1.00 0.00 C ATOM 1367 O GLY A 90 -12.421 -6.820 -3.376 1.00 0.00 O ATOM 0 H GLY A 90 -9.926 -6.402 -0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -10.011 -8.636 -2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.344 -8.143 -1.141 1.00 0.00 H new ATOM 1371 N GLU A 91 -11.572 -8.777 -4.093 1.00 0.00 N ATOM 1372 CA GLU A 91 -12.389 -8.813 -5.301 1.00 0.00 C ATOM 1373 C GLU A 91 -13.817 -9.241 -4.979 1.00 0.00 C ATOM 1374 O GLU A 91 -14.622 -9.482 -5.879 1.00 0.00 O ATOM 1375 CB GLU A 91 -11.777 -9.768 -6.328 1.00 0.00 C ATOM 1376 CG GLU A 91 -12.288 -9.549 -7.742 1.00 0.00 C ATOM 1377 CD GLU A 91 -11.298 -10.004 -8.797 1.00 0.00 C ATOM 1378 OE1 GLU A 91 -10.163 -9.483 -8.810 1.00 0.00 O ATOM 1379 OE2 GLU A 91 -11.659 -10.880 -9.610 1.00 0.00 O ATOM 0 H GLU A 91 -10.946 -9.575 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.416 -7.808 -5.721 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.693 -9.651 -6.320 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.989 -10.794 -6.029 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.226 -10.088 -7.873 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.506 -8.491 -7.886 1.00 0.00 H new ATOM 1386 N ASP A 92 -14.125 -9.335 -3.690 1.00 0.00 N ATOM 1387 CA ASP A 92 -15.456 -9.734 -3.249 1.00 0.00 C ATOM 1388 C ASP A 92 -16.131 -8.607 -2.473 1.00 0.00 C ATOM 1389 O ASP A 92 -17.359 -8.525 -2.420 1.00 0.00 O ATOM 1390 CB ASP A 92 -15.373 -10.990 -2.379 1.00 0.00 C ATOM 1391 CG ASP A 92 -16.587 -11.884 -2.536 1.00 0.00 C ATOM 1392 OD1 ASP A 92 -17.249 -11.804 -3.592 1.00 0.00 O ATOM 1393 OD2 ASP A 92 -16.876 -12.662 -1.603 1.00 0.00 O ATOM 0 H ASP A 92 -13.471 -9.140 -2.932 1.00 0.00 H new ATOM 0 HA ASP A 92 -16.055 -9.953 -4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -14.476 -11.551 -2.641 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -15.273 -10.698 -1.334 1.00 0.00 H new ATOM 1398 N VAL A 93 -15.322 -7.741 -1.872 1.00 0.00 N ATOM 1399 CA VAL A 93 -15.841 -6.619 -1.099 1.00 0.00 C ATOM 1400 C VAL A 93 -16.888 -5.843 -1.892 1.00 0.00 C ATOM 1401 O VAL A 93 -16.921 -5.904 -3.121 1.00 0.00 O ATOM 1402 CB VAL A 93 -14.714 -5.657 -0.680 1.00 0.00 C ATOM 1403 CG1 VAL A 93 -13.767 -6.337 0.297 1.00 0.00 C ATOM 1404 CG2 VAL A 93 -13.960 -5.155 -1.902 1.00 0.00 C ATOM 0 H VAL A 93 -14.304 -7.795 -1.905 1.00 0.00 H new ATOM 0 HA VAL A 93 -16.303 -7.037 -0.205 1.00 0.00 H new ATOM 0 HB VAL A 93 -15.161 -4.799 -0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -12.977 -5.642 0.582 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.319 -6.643 1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.325 -7.214 -0.175 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -13.167 -4.476 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -13.524 -6.001 -2.433 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -14.648 -4.627 -2.563 1.00 0.00 H new ATOM 1414 N SER A 94 -17.740 -5.114 -1.180 1.00 0.00 N ATOM 1415 CA SER A 94 -18.791 -4.328 -1.816 1.00 0.00 C ATOM 1416 C SER A 94 -18.196 -3.182 -2.628 1.00 0.00 C ATOM 1417 O SER A 94 -17.225 -2.550 -2.212 1.00 0.00 O ATOM 1418 CB SER A 94 -19.753 -3.776 -0.763 1.00 0.00 C ATOM 1419 OG SER A 94 -20.854 -3.123 -1.370 1.00 0.00 O ATOM 0 H SER A 94 -17.724 -5.051 -0.162 1.00 0.00 H new ATOM 0 HA SER A 94 -19.341 -4.983 -2.492 1.00 0.00 H new ATOM 0 HB2 SER A 94 -20.111 -4.589 -0.132 1.00 0.00 H new ATOM 0 HB3 SER A 94 -19.225 -3.078 -0.114 1.00 0.00 H new ATOM 0 HG SER A 94 -21.455 -2.781 -0.676 1.00 0.00 H new ATOM 1425 N GLY A 95 -18.786 -2.919 -3.790 1.00 0.00 N ATOM 1426 CA GLY A 95 -18.302 -1.850 -4.643 1.00 0.00 C ATOM 1427 C GLY A 95 -17.821 -0.649 -3.852 1.00 0.00 C ATOM 1428 O GLY A 95 -16.718 -0.152 -4.074 1.00 0.00 O ATOM 0 H GLY A 95 -19.591 -3.428 -4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -17.486 -2.224 -5.262 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -19.099 -1.540 -5.319 1.00 0.00 H new ATOM 1432 N LEU A 96 -18.652 -0.182 -2.927 1.00 0.00 N ATOM 1433 CA LEU A 96 -18.307 0.970 -2.100 1.00 0.00 C ATOM 1434 C LEU A 96 -16.872 0.865 -1.593 1.00 0.00 C ATOM 1435 O LEU A 96 -16.010 1.656 -1.972 1.00 0.00 O ATOM 1436 CB LEU A 96 -19.272 1.083 -0.918 1.00 0.00 C ATOM 1437 CG LEU A 96 -19.332 2.461 -0.261 1.00 0.00 C ATOM 1438 CD1 LEU A 96 -19.617 3.536 -1.298 1.00 0.00 C ATOM 1439 CD2 LEU A 96 -20.387 2.483 0.835 1.00 0.00 C ATOM 0 H LEU A 96 -19.569 -0.583 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.391 1.866 -2.715 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.272 0.816 -1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -18.986 0.350 -0.164 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.362 2.669 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -19.656 4.510 -0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -18.826 3.537 -2.048 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -20.574 3.333 -1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -20.416 3.472 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -21.362 2.253 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -20.140 1.740 1.593 1.00 0.00 H new ATOM 1451 N GLN A 97 -16.626 -0.118 -0.733 1.00 0.00 N ATOM 1452 CA GLN A 97 -15.296 -0.326 -0.172 1.00 0.00 C ATOM 1453 C GLN A 97 -14.217 -0.060 -1.217 1.00 0.00 C ATOM 1454 O GLN A 97 -13.186 0.542 -0.919 1.00 0.00 O ATOM 1455 CB GLN A 97 -15.163 -1.753 0.364 1.00 0.00 C ATOM 1456 CG GLN A 97 -15.576 -1.896 1.820 1.00 0.00 C ATOM 1457 CD GLN A 97 -15.870 -3.333 2.204 1.00 0.00 C ATOM 1458 OE1 GLN A 97 -15.036 -4.220 2.019 1.00 0.00 O ATOM 1459 NE2 GLN A 97 -17.060 -3.570 2.743 1.00 0.00 N ATOM 0 H GLN A 97 -17.329 -0.782 -0.410 1.00 0.00 H new ATOM 0 HA GLN A 97 -15.162 0.377 0.650 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -15.773 -2.420 -0.245 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -14.129 -2.079 0.255 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -14.782 -1.508 2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -16.460 -1.286 2.005 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -17.720 -2.804 2.878 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -17.314 -4.518 3.022 1.00 0.00 H new ATOM 1468 N ARG A 98 -14.462 -0.514 -2.442 1.00 0.00 N ATOM 1469 CA ARG A 98 -13.511 -0.326 -3.531 1.00 0.00 C ATOM 1470 C ARG A 98 -13.509 1.124 -4.007 1.00 0.00 C ATOM 1471 O ARG A 98 -12.464 1.671 -4.358 1.00 0.00 O ATOM 1472 CB ARG A 98 -13.848 -1.257 -4.697 1.00 0.00 C ATOM 1473 CG ARG A 98 -12.847 -1.190 -5.839 1.00 0.00 C ATOM 1474 CD ARG A 98 -13.440 -1.727 -7.132 1.00 0.00 C ATOM 1475 NE ARG A 98 -12.533 -1.554 -8.263 1.00 0.00 N ATOM 1476 CZ ARG A 98 -12.583 -2.294 -9.365 1.00 0.00 C ATOM 1477 NH1 ARG A 98 -13.493 -3.251 -9.484 1.00 0.00 N ATOM 1478 NH2 ARG A 98 -11.723 -2.077 -10.352 1.00 0.00 N ATOM 0 H ARG A 98 -15.311 -1.015 -2.705 1.00 0.00 H new ATOM 0 HA ARG A 98 -12.516 -0.569 -3.157 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.899 -2.282 -4.329 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -14.838 -1.005 -5.078 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -12.528 -0.158 -5.985 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -11.958 -1.764 -5.579 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -13.672 -2.785 -7.012 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -14.380 -1.216 -7.340 1.00 0.00 H new ATOM 0 HE ARG A 98 -11.822 -0.825 -8.204 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -14.157 -3.420 -8.728 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -13.529 -3.818 -10.331 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.022 -1.341 -10.265 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.763 -2.646 -11.197 1.00 0.00 H new ATOM 1492 N ALA A 99 -14.687 1.739 -4.018 1.00 0.00 N ATOM 1493 CA ALA A 99 -14.821 3.125 -4.450 1.00 0.00 C ATOM 1494 C ALA A 99 -14.334 4.086 -3.371 1.00 0.00 C ATOM 1495 O ALA A 99 -13.999 5.236 -3.654 1.00 0.00 O ATOM 1496 CB ALA A 99 -16.267 3.427 -4.814 1.00 0.00 C ATOM 0 H ALA A 99 -15.562 1.299 -3.733 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.198 3.266 -5.333 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.352 4.465 -5.135 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -16.583 2.770 -5.624 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -16.903 3.263 -3.944 1.00 0.00 H new ATOM 1502 N LYS A 100 -14.297 3.607 -2.132 1.00 0.00 N ATOM 1503 CA LYS A 100 -13.850 4.423 -1.009 1.00 0.00 C ATOM 1504 C LYS A 100 -12.374 4.180 -0.713 1.00 0.00 C ATOM 1505 O LYS A 100 -11.560 5.103 -0.757 1.00 0.00 O ATOM 1506 CB LYS A 100 -14.687 4.118 0.235 1.00 0.00 C ATOM 1507 CG LYS A 100 -16.161 4.447 0.072 1.00 0.00 C ATOM 1508 CD LYS A 100 -16.389 5.945 -0.037 1.00 0.00 C ATOM 1509 CE LYS A 100 -16.655 6.569 1.325 1.00 0.00 C ATOM 1510 NZ LYS A 100 -17.364 7.873 1.209 1.00 0.00 N ATOM 0 H LYS A 100 -14.571 2.657 -1.880 1.00 0.00 H new ATOM 0 HA LYS A 100 -13.981 5.471 -1.280 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.584 3.061 0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -14.288 4.682 1.078 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -16.549 3.953 -0.819 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.719 4.054 0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -15.516 6.415 -0.489 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.234 6.138 -0.698 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -17.251 5.884 1.928 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -15.710 6.715 1.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -17.527 8.265 2.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.784 8.535 0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -18.277 7.730 0.732 1.00 0.00 H new ATOM 1524 N THR A 101 -12.033 2.930 -0.412 1.00 0.00 N ATOM 1525 CA THR A 101 -10.655 2.565 -0.110 1.00 0.00 C ATOM 1526 C THR A 101 -9.676 3.347 -0.978 1.00 0.00 C ATOM 1527 O THR A 101 -8.606 3.747 -0.520 1.00 0.00 O ATOM 1528 CB THR A 101 -10.414 1.058 -0.315 1.00 0.00 C ATOM 1529 OG1 THR A 101 -11.133 0.308 0.670 1.00 0.00 O ATOM 1530 CG2 THR A 101 -8.932 0.729 -0.228 1.00 0.00 C ATOM 0 H THR A 101 -12.693 2.154 -0.371 1.00 0.00 H new ATOM 0 HA THR A 101 -10.486 2.813 0.938 1.00 0.00 H new ATOM 0 HB THR A 101 -10.771 0.788 -1.309 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.060 0.187 0.377 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.788 -0.341 -0.376 1.00 0.00 H new ATOM 0 HG22 THR A 101 -8.392 1.278 -0.999 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.553 1.014 0.753 1.00 0.00 H new ATOM 1538 N GLY A 102 -10.049 3.564 -2.236 1.00 0.00 N ATOM 1539 CA GLY A 102 -9.192 4.298 -3.148 1.00 0.00 C ATOM 1540 C GLY A 102 -9.116 5.774 -2.811 1.00 0.00 C ATOM 1541 O GLY A 102 -8.055 6.389 -2.918 1.00 0.00 O ATOM 0 H GLY A 102 -10.930 3.244 -2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.190 3.871 -3.123 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.564 4.180 -4.166 1.00 0.00 H new ATOM 1545 N THR A 103 -10.244 6.345 -2.401 1.00 0.00 N ATOM 1546 CA THR A 103 -10.302 7.758 -2.050 1.00 0.00 C ATOM 1547 C THR A 103 -9.518 8.039 -0.773 1.00 0.00 C ATOM 1548 O THR A 103 -8.815 9.045 -0.673 1.00 0.00 O ATOM 1549 CB THR A 103 -11.755 8.232 -1.861 1.00 0.00 C ATOM 1550 OG1 THR A 103 -12.460 8.157 -3.106 1.00 0.00 O ATOM 1551 CG2 THR A 103 -11.796 9.659 -1.335 1.00 0.00 C ATOM 0 H THR A 103 -11.130 5.850 -2.304 1.00 0.00 H new ATOM 0 HA THR A 103 -9.854 8.308 -2.878 1.00 0.00 H new ATOM 0 HB THR A 103 -12.234 7.579 -1.131 1.00 0.00 H new ATOM 0 HG1 THR A 103 -12.879 7.275 -3.192 1.00 0.00 H new ATOM 0 HG21 THR A 103 -12.833 9.971 -1.210 1.00 0.00 H new ATOM 0 HG22 THR A 103 -11.284 9.707 -0.374 1.00 0.00 H new ATOM 0 HG23 THR A 103 -11.301 10.322 -2.044 1.00 0.00 H new ATOM 1559 N ASP A 104 -9.644 7.145 0.202 1.00 0.00 N ATOM 1560 CA ASP A 104 -8.945 7.296 1.473 1.00 0.00 C ATOM 1561 C ASP A 104 -7.434 7.243 1.272 1.00 0.00 C ATOM 1562 O ASP A 104 -6.665 7.439 2.213 1.00 0.00 O ATOM 1563 CB ASP A 104 -9.381 6.204 2.451 1.00 0.00 C ATOM 1564 CG ASP A 104 -10.886 6.149 2.625 1.00 0.00 C ATOM 1565 OD1 ASP A 104 -11.490 7.205 2.909 1.00 0.00 O ATOM 1566 OD2 ASP A 104 -11.460 5.050 2.476 1.00 0.00 O ATOM 0 H ASP A 104 -10.224 6.308 0.136 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.204 8.270 1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.024 5.238 2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.913 6.380 3.419 1.00 0.00 H new ATOM 1571 N LYS A 105 -7.015 6.976 0.040 1.00 0.00 N ATOM 1572 CA LYS A 105 -5.596 6.897 -0.286 1.00 0.00 C ATOM 1573 C LYS A 105 -4.891 8.213 0.031 1.00 0.00 C ATOM 1574 O LYS A 105 -3.734 8.224 0.452 1.00 0.00 O ATOM 1575 CB LYS A 105 -5.410 6.550 -1.764 1.00 0.00 C ATOM 1576 CG LYS A 105 -3.969 6.651 -2.236 1.00 0.00 C ATOM 1577 CD LYS A 105 -3.889 7.064 -3.696 1.00 0.00 C ATOM 1578 CE LYS A 105 -4.651 6.098 -4.591 1.00 0.00 C ATOM 1579 NZ LYS A 105 -4.343 6.317 -6.032 1.00 0.00 N ATOM 0 H LYS A 105 -7.639 6.810 -0.750 1.00 0.00 H new ATOM 0 HA LYS A 105 -5.152 6.111 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.771 5.536 -1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.028 7.216 -2.366 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -3.434 7.375 -1.622 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.473 5.690 -2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -4.295 8.069 -3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -2.845 7.104 -4.007 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -4.399 5.073 -4.317 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -5.722 6.218 -4.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -5.208 6.608 -6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -3.623 7.062 -6.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.983 5.434 -6.448 1.00 0.00 H new ATOM 1593 N THR A 106 -5.596 9.321 -0.174 1.00 0.00 N ATOM 1594 CA THR A 106 -5.038 10.641 0.090 1.00 0.00 C ATOM 1595 C THR A 106 -4.553 10.755 1.531 1.00 0.00 C ATOM 1596 O THR A 106 -3.673 11.559 1.837 1.00 0.00 O ATOM 1597 CB THR A 106 -6.071 11.752 -0.181 1.00 0.00 C ATOM 1598 OG1 THR A 106 -6.561 11.648 -1.522 1.00 0.00 O ATOM 1599 CG2 THR A 106 -5.456 13.126 0.035 1.00 0.00 C ATOM 0 H THR A 106 -6.555 9.330 -0.522 1.00 0.00 H new ATOM 0 HA THR A 106 -4.193 10.768 -0.586 1.00 0.00 H new ATOM 0 HB THR A 106 -6.898 11.628 0.518 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.218 12.356 -1.686 1.00 0.00 H new ATOM 0 HG21 THR A 106 -6.204 13.894 -0.162 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.110 13.212 1.065 1.00 0.00 H new ATOM 0 HG23 THR A 106 -4.613 13.258 -0.643 1.00 0.00 H new ATOM 1607 N LEU A 107 -5.131 9.945 2.411 1.00 0.00 N ATOM 1608 CA LEU A 107 -4.755 9.954 3.820 1.00 0.00 C ATOM 1609 C LEU A 107 -3.452 9.194 4.042 1.00 0.00 C ATOM 1610 O LEU A 107 -2.518 9.707 4.659 1.00 0.00 O ATOM 1611 CB LEU A 107 -5.870 9.338 4.670 1.00 0.00 C ATOM 1612 CG LEU A 107 -7.290 9.679 4.219 1.00 0.00 C ATOM 1613 CD1 LEU A 107 -8.294 9.329 5.306 1.00 0.00 C ATOM 1614 CD2 LEU A 107 -7.393 11.151 3.849 1.00 0.00 C ATOM 0 H LEU A 107 -5.862 9.274 2.174 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.605 10.990 4.123 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.754 8.254 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -5.744 9.667 5.701 1.00 0.00 H new ATOM 0 HG LEU A 107 -7.522 9.086 3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.299 9.579 4.967 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.239 8.262 5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -8.065 9.895 6.209 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -8.411 11.376 3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -7.141 11.762 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -6.701 11.371 3.036 1.00 0.00 H new ATOM 1626 N VAL A 108 -3.396 7.967 3.533 1.00 0.00 N ATOM 1627 CA VAL A 108 -2.206 7.135 3.674 1.00 0.00 C ATOM 1628 C VAL A 108 -1.004 7.775 2.989 1.00 0.00 C ATOM 1629 O VAL A 108 0.134 7.613 3.429 1.00 0.00 O ATOM 1630 CB VAL A 108 -2.432 5.730 3.084 1.00 0.00 C ATOM 1631 CG1 VAL A 108 -1.230 4.838 3.356 1.00 0.00 C ATOM 1632 CG2 VAL A 108 -3.702 5.113 3.649 1.00 0.00 C ATOM 0 H VAL A 108 -4.160 7.527 3.020 1.00 0.00 H new ATOM 0 HA VAL A 108 -2.006 7.045 4.742 1.00 0.00 H new ATOM 0 HB VAL A 108 -2.550 5.823 2.004 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -1.407 3.850 2.932 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -0.342 5.275 2.899 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.078 4.750 4.432 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.846 4.121 3.221 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -3.616 5.032 4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -4.555 5.743 3.399 1.00 0.00 H new ATOM 1642 N LYS A 109 -1.264 8.504 1.909 1.00 0.00 N ATOM 1643 CA LYS A 109 -0.204 9.171 1.162 1.00 0.00 C ATOM 1644 C LYS A 109 0.455 10.258 2.007 1.00 0.00 C ATOM 1645 O LYS A 109 1.657 10.496 1.898 1.00 0.00 O ATOM 1646 CB LYS A 109 -0.764 9.781 -0.125 1.00 0.00 C ATOM 1647 CG LYS A 109 0.257 10.584 -0.912 1.00 0.00 C ATOM 1648 CD LYS A 109 -0.405 11.693 -1.713 1.00 0.00 C ATOM 1649 CE LYS A 109 -0.620 12.939 -0.867 1.00 0.00 C ATOM 1650 NZ LYS A 109 0.555 13.853 -0.917 1.00 0.00 N ATOM 0 H LYS A 109 -2.200 8.648 1.531 1.00 0.00 H new ATOM 0 HA LYS A 109 0.550 8.426 0.906 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.151 8.982 -0.757 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.606 10.426 0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.989 11.014 -0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 109 0.801 9.922 -1.586 1.00 0.00 H new ATOM 0 HD2 LYS A 109 0.214 11.940 -2.575 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.363 11.343 -2.098 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.506 13.468 -1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -0.810 12.648 0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 0.369 14.690 -0.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 1.396 13.357 -0.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 0.721 14.151 -1.899 1.00 0.00 H new ATOM 1664 N GLU A 110 -0.340 10.911 2.848 1.00 0.00 N ATOM 1665 CA GLU A 110 0.168 11.972 3.710 1.00 0.00 C ATOM 1666 C GLU A 110 1.478 11.554 4.372 1.00 0.00 C ATOM 1667 O GLU A 110 2.390 12.364 4.537 1.00 0.00 O ATOM 1668 CB GLU A 110 -0.866 12.328 4.780 1.00 0.00 C ATOM 1669 CG GLU A 110 -2.252 12.599 4.221 1.00 0.00 C ATOM 1670 CD GLU A 110 -2.262 13.724 3.204 1.00 0.00 C ATOM 1671 OE1 GLU A 110 -1.676 13.547 2.116 1.00 0.00 O ATOM 1672 OE2 GLU A 110 -2.856 14.783 3.498 1.00 0.00 O ATOM 0 H GLU A 110 -1.337 10.724 2.951 1.00 0.00 H new ATOM 0 HA GLU A 110 0.357 12.849 3.091 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -0.927 11.512 5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -0.525 13.208 5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.636 11.691 3.756 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.927 12.848 5.039 1.00 0.00 H new ATOM 1679 N VAL A 111 1.563 10.282 4.751 1.00 0.00 N ATOM 1680 CA VAL A 111 2.761 9.755 5.395 1.00 0.00 C ATOM 1681 C VAL A 111 3.735 9.193 4.366 1.00 0.00 C ATOM 1682 O VAL A 111 4.948 9.365 4.485 1.00 0.00 O ATOM 1683 CB VAL A 111 2.412 8.652 6.412 1.00 0.00 C ATOM 1684 CG1 VAL A 111 3.676 7.983 6.928 1.00 0.00 C ATOM 1685 CG2 VAL A 111 1.595 9.226 7.560 1.00 0.00 C ATOM 0 H VAL A 111 0.817 9.598 4.623 1.00 0.00 H new ATOM 0 HA VAL A 111 3.231 10.587 5.920 1.00 0.00 H new ATOM 0 HB VAL A 111 1.809 7.896 5.910 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.410 7.207 7.645 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.218 7.536 6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 111 4.308 8.726 7.415 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.357 8.433 8.269 1.00 0.00 H new ATOM 0 HG22 VAL A 111 2.171 10.003 8.064 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.671 9.654 7.171 1.00 0.00 H new ATOM 1695 N VAL A 112 3.196 8.519 3.355 1.00 0.00 N ATOM 1696 CA VAL A 112 4.018 7.932 2.303 1.00 0.00 C ATOM 1697 C VAL A 112 4.122 8.865 1.101 1.00 0.00 C ATOM 1698 O VAL A 112 3.214 8.928 0.273 1.00 0.00 O ATOM 1699 CB VAL A 112 3.452 6.577 1.839 1.00 0.00 C ATOM 1700 CG1 VAL A 112 4.170 6.099 0.586 1.00 0.00 C ATOM 1701 CG2 VAL A 112 3.561 5.546 2.952 1.00 0.00 C ATOM 0 H VAL A 112 2.194 8.366 3.242 1.00 0.00 H new ATOM 0 HA VAL A 112 5.010 7.777 2.726 1.00 0.00 H new ATOM 0 HB VAL A 112 2.397 6.707 1.597 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.757 5.140 0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 112 4.036 6.830 -0.212 1.00 0.00 H new ATOM 0 HG13 VAL A 112 5.233 5.984 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 112 3.157 4.594 2.607 1.00 0.00 H new ATOM 0 HG22 VAL A 112 4.608 5.417 3.227 1.00 0.00 H new ATOM 0 HG23 VAL A 112 2.997 5.887 3.820 1.00 0.00 H new ATOM 1711 N GLN A 113 5.235 9.587 1.014 1.00 0.00 N ATOM 1712 CA GLN A 113 5.457 10.517 -0.087 1.00 0.00 C ATOM 1713 C GLN A 113 6.761 10.200 -0.812 1.00 0.00 C ATOM 1714 O GLN A 113 6.877 10.409 -2.019 1.00 0.00 O ATOM 1715 CB GLN A 113 5.483 11.956 0.431 1.00 0.00 C ATOM 1716 CG GLN A 113 6.411 12.158 1.618 1.00 0.00 C ATOM 1717 CD GLN A 113 6.430 13.593 2.106 1.00 0.00 C ATOM 1718 OE1 GLN A 113 7.490 14.213 2.207 1.00 0.00 O ATOM 1719 NE2 GLN A 113 5.255 14.131 2.411 1.00 0.00 N ATOM 0 H GLN A 113 5.996 9.546 1.692 1.00 0.00 H new ATOM 0 HA GLN A 113 4.634 10.408 -0.794 1.00 0.00 H new ATOM 0 HB2 GLN A 113 5.791 12.619 -0.377 1.00 0.00 H new ATOM 0 HB3 GLN A 113 4.473 12.249 0.716 1.00 0.00 H new ATOM 0 HG2 GLN A 113 6.099 11.505 2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.422 11.860 1.339 1.00 0.00 H new ATOM 0 HE21 GLN A 113 4.401 13.581 2.312 1.00 0.00 H new ATOM 0 HE22 GLN A 113 5.206 15.094 2.744 1.00 0.00 H new ATOM 1728 N ASN A 114 7.739 9.696 -0.067 1.00 0.00 N ATOM 1729 CA ASN A 114 9.036 9.352 -0.639 1.00 0.00 C ATOM 1730 C ASN A 114 8.914 8.160 -1.584 1.00 0.00 C ATOM 1731 O ASN A 114 9.704 8.011 -2.517 1.00 0.00 O ATOM 1732 CB ASN A 114 10.039 9.036 0.472 1.00 0.00 C ATOM 1733 CG ASN A 114 11.475 9.242 0.030 1.00 0.00 C ATOM 1734 OD1 ASN A 114 12.102 8.178 -0.459 1.00 0.00 O flip ATOM 1735 ND2 ASN A 114 12.014 10.344 0.128 1.00 0.00 N flip ATOM 0 H ASN A 114 7.658 9.517 0.934 1.00 0.00 H new ATOM 0 HA ASN A 114 9.394 10.210 -1.208 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.833 9.669 1.335 1.00 0.00 H new ATOM 0 HB3 ASN A 114 9.906 8.004 0.795 1.00 0.00 H new ATOM 0 HD21 ASN A 114 11.494 11.134 0.510 1.00 0.00 H new ATOM 0 HD22 ASN A 114 12.981 10.467 -0.173 1.00 0.00 H new ATOM 1742 N PHE A 115 7.919 7.315 -1.337 1.00 0.00 N ATOM 1743 CA PHE A 115 7.694 6.136 -2.165 1.00 0.00 C ATOM 1744 C PHE A 115 7.614 6.515 -3.641 1.00 0.00 C ATOM 1745 O PHE A 115 7.899 7.652 -4.017 1.00 0.00 O ATOM 1746 CB PHE A 115 6.408 5.425 -1.739 1.00 0.00 C ATOM 1747 CG PHE A 115 5.189 5.896 -2.479 1.00 0.00 C ATOM 1748 CD1 PHE A 115 5.104 7.199 -2.942 1.00 0.00 C ATOM 1749 CD2 PHE A 115 4.128 5.036 -2.712 1.00 0.00 C ATOM 1750 CE1 PHE A 115 3.984 7.636 -3.625 1.00 0.00 C ATOM 1751 CE2 PHE A 115 3.006 5.466 -3.394 1.00 0.00 C ATOM 1752 CZ PHE A 115 2.933 6.768 -3.850 1.00 0.00 C ATOM 0 H PHE A 115 7.255 7.425 -0.570 1.00 0.00 H new ATOM 0 HA PHE A 115 8.538 5.460 -2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 115 6.526 4.353 -1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 115 6.256 5.576 -0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 115 5.922 7.882 -2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 115 4.179 4.018 -2.356 1.00 0.00 H new ATOM 0 HE1 PHE A 115 3.931 8.654 -3.982 1.00 0.00 H new ATOM 0 HE2 PHE A 115 2.187 4.785 -3.570 1.00 0.00 H new ATOM 0 HZ PHE A 115 2.056 7.107 -4.381 1.00 0.00 H new ATOM 1762 N ALA A 116 7.223 5.555 -4.472 1.00 0.00 N ATOM 1763 CA ALA A 116 7.103 5.787 -5.906 1.00 0.00 C ATOM 1764 C ALA A 116 5.660 6.088 -6.295 1.00 0.00 C ATOM 1765 O ALA A 116 5.337 7.199 -6.715 1.00 0.00 O ATOM 1766 CB ALA A 116 7.621 4.585 -6.681 1.00 0.00 C ATOM 0 H ALA A 116 6.984 4.608 -4.177 1.00 0.00 H new ATOM 0 HA ALA A 116 7.709 6.657 -6.160 1.00 0.00 H new ATOM 0 HB1 ALA A 116 7.525 4.773 -7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 116 8.670 4.418 -6.435 1.00 0.00 H new ATOM 0 HB3 ALA A 116 7.040 3.702 -6.414 1.00 0.00 H new ATOM 1772 N LYS A 117 4.794 5.090 -6.153 1.00 0.00 N ATOM 1773 CA LYS A 117 3.384 5.246 -6.489 1.00 0.00 C ATOM 1774 C LYS A 117 2.542 4.163 -5.821 1.00 0.00 C ATOM 1775 O LYS A 117 3.071 3.158 -5.349 1.00 0.00 O ATOM 1776 CB LYS A 117 3.191 5.194 -8.006 1.00 0.00 C ATOM 1777 CG LYS A 117 1.827 4.676 -8.428 1.00 0.00 C ATOM 1778 CD LYS A 117 1.767 4.417 -9.924 1.00 0.00 C ATOM 1779 CE LYS A 117 0.432 3.813 -10.333 1.00 0.00 C ATOM 1780 NZ LYS A 117 0.408 3.445 -11.776 1.00 0.00 N ATOM 0 H LYS A 117 5.045 4.164 -5.807 1.00 0.00 H new ATOM 0 HA LYS A 117 3.054 6.217 -6.120 1.00 0.00 H new ATOM 0 HB2 LYS A 117 3.334 6.194 -8.416 1.00 0.00 H new ATOM 0 HB3 LYS A 117 3.962 4.558 -8.440 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.604 3.755 -7.889 1.00 0.00 H new ATOM 0 HG3 LYS A 117 1.061 5.400 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 117 1.925 5.351 -10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.575 3.744 -10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.234 2.927 -9.729 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -0.367 4.525 -10.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.518 3.037 -12.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 0.572 4.294 -12.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 1.154 2.746 -11.969 1.00 0.00 H new ATOM 1794 N GLU A 118 1.230 4.376 -5.788 1.00 0.00 N ATOM 1795 CA GLU A 118 0.317 3.416 -5.179 1.00 0.00 C ATOM 1796 C GLU A 118 -0.177 2.405 -6.209 1.00 0.00 C ATOM 1797 O GLU A 118 -0.708 2.778 -7.256 1.00 0.00 O ATOM 1798 CB GLU A 118 -0.874 4.142 -4.548 1.00 0.00 C ATOM 1799 CG GLU A 118 -1.314 5.374 -5.320 1.00 0.00 C ATOM 1800 CD GLU A 118 -0.551 6.620 -4.914 1.00 0.00 C ATOM 1801 OE1 GLU A 118 -0.675 7.035 -3.742 1.00 0.00 O ATOM 1802 OE2 GLU A 118 0.169 7.180 -5.767 1.00 0.00 O ATOM 0 H GLU A 118 0.776 5.203 -6.175 1.00 0.00 H new ATOM 0 HA GLU A 118 0.860 2.879 -4.401 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -1.713 3.450 -4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -0.613 4.435 -3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -1.175 5.199 -6.387 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -2.380 5.537 -5.160 1.00 0.00 H new ATOM 1809 N PHE A 119 0.002 1.124 -5.906 1.00 0.00 N ATOM 1810 CA PHE A 119 -0.424 0.058 -6.805 1.00 0.00 C ATOM 1811 C PHE A 119 -1.751 -0.542 -6.349 1.00 0.00 C ATOM 1812 O PHE A 119 -1.801 -1.299 -5.379 1.00 0.00 O ATOM 1813 CB PHE A 119 0.645 -1.034 -6.878 1.00 0.00 C ATOM 1814 CG PHE A 119 1.901 -0.598 -7.577 1.00 0.00 C ATOM 1815 CD1 PHE A 119 2.065 0.718 -7.978 1.00 0.00 C ATOM 1816 CD2 PHE A 119 2.917 -1.505 -7.833 1.00 0.00 C ATOM 1817 CE1 PHE A 119 3.219 1.121 -8.622 1.00 0.00 C ATOM 1818 CE2 PHE A 119 4.074 -1.107 -8.476 1.00 0.00 C ATOM 1819 CZ PHE A 119 4.226 0.208 -8.870 1.00 0.00 C ATOM 0 H PHE A 119 0.440 0.799 -5.044 1.00 0.00 H new ATOM 0 HA PHE A 119 -0.563 0.488 -7.797 1.00 0.00 H new ATOM 0 HB2 PHE A 119 0.894 -1.355 -5.867 1.00 0.00 H new ATOM 0 HB3 PHE A 119 0.233 -1.901 -7.395 1.00 0.00 H new ATOM 0 HD1 PHE A 119 1.282 1.437 -7.785 1.00 0.00 H new ATOM 0 HD2 PHE A 119 2.803 -2.534 -7.527 1.00 0.00 H new ATOM 0 HE1 PHE A 119 3.334 2.149 -8.931 1.00 0.00 H new ATOM 0 HE2 PHE A 119 4.858 -1.824 -8.670 1.00 0.00 H new ATOM 0 HZ PHE A 119 5.130 0.522 -9.371 1.00 0.00 H new ATOM 1829 N VAL A 120 -2.823 -0.197 -7.054 1.00 0.00 N ATOM 1830 CA VAL A 120 -4.151 -0.701 -6.722 1.00 0.00 C ATOM 1831 C VAL A 120 -4.386 -2.076 -7.337 1.00 0.00 C ATOM 1832 O VAL A 120 -4.688 -2.192 -8.525 1.00 0.00 O ATOM 1833 CB VAL A 120 -5.253 0.260 -7.205 1.00 0.00 C ATOM 1834 CG1 VAL A 120 -6.630 -0.319 -6.918 1.00 0.00 C ATOM 1835 CG2 VAL A 120 -5.093 1.625 -6.552 1.00 0.00 C ATOM 0 H VAL A 120 -2.799 0.429 -7.859 1.00 0.00 H new ATOM 0 HA VAL A 120 -4.198 -0.779 -5.636 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.155 0.385 -8.283 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -7.396 0.374 -7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -6.740 -1.271 -7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -6.743 -0.475 -5.845 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -5.880 2.292 -6.905 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -5.164 1.521 -5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -4.120 2.042 -6.814 1.00 0.00 H new ATOM 1845 N ILE A 121 -4.245 -3.115 -6.521 1.00 0.00 N ATOM 1846 CA ILE A 121 -4.444 -4.483 -6.984 1.00 0.00 C ATOM 1847 C ILE A 121 -5.702 -5.092 -6.375 1.00 0.00 C ATOM 1848 O ILE A 121 -6.048 -4.809 -5.228 1.00 0.00 O ATOM 1849 CB ILE A 121 -3.237 -5.374 -6.641 1.00 0.00 C ATOM 1850 CG1 ILE A 121 -1.935 -4.698 -7.077 1.00 0.00 C ATOM 1851 CG2 ILE A 121 -3.379 -6.737 -7.303 1.00 0.00 C ATOM 1852 CD1 ILE A 121 -0.735 -5.108 -6.252 1.00 0.00 C ATOM 0 H ILE A 121 -3.994 -3.036 -5.536 1.00 0.00 H new ATOM 0 HA ILE A 121 -4.554 -4.437 -8.067 1.00 0.00 H new ATOM 0 HB ILE A 121 -3.206 -5.517 -5.561 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -1.745 -4.936 -8.124 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -2.057 -3.617 -7.013 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -2.518 -7.355 -7.051 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.289 -7.221 -6.948 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -3.432 -6.612 -8.385 1.00 0.00 H new ATOM 0 HD11 ILE A 121 0.152 -4.590 -6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -0.904 -4.845 -5.208 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -0.587 -6.185 -6.336 1.00 0.00 H new ATOM 1864 N SER A 122 -6.381 -5.932 -7.149 1.00 0.00 N ATOM 1865 CA SER A 122 -7.602 -6.581 -6.686 1.00 0.00 C ATOM 1866 C SER A 122 -7.452 -8.100 -6.708 1.00 0.00 C ATOM 1867 O SER A 122 -8.195 -8.817 -6.038 1.00 0.00 O ATOM 1868 CB SER A 122 -8.789 -6.163 -7.556 1.00 0.00 C ATOM 1869 OG SER A 122 -8.641 -4.829 -8.013 1.00 0.00 O ATOM 0 H SER A 122 -6.106 -6.179 -8.100 1.00 0.00 H new ATOM 0 HA SER A 122 -7.784 -6.265 -5.659 1.00 0.00 H new ATOM 0 HB2 SER A 122 -8.873 -6.836 -8.409 1.00 0.00 H new ATOM 0 HB3 SER A 122 -9.713 -6.255 -6.985 1.00 0.00 H new ATOM 0 HG SER A 122 -9.411 -4.586 -8.568 1.00 0.00 H new ATOM 1875 N ASP A 123 -6.485 -8.581 -7.482 1.00 0.00 N ATOM 1876 CA ASP A 123 -6.235 -10.014 -7.591 1.00 0.00 C ATOM 1877 C ASP A 123 -4.853 -10.367 -7.052 1.00 0.00 C ATOM 1878 O ASP A 123 -3.849 -9.785 -7.462 1.00 0.00 O ATOM 1879 CB ASP A 123 -6.359 -10.465 -9.047 1.00 0.00 C ATOM 1880 CG ASP A 123 -6.831 -11.901 -9.169 1.00 0.00 C ATOM 1881 OD1 ASP A 123 -6.586 -12.687 -8.231 1.00 0.00 O ATOM 1882 OD2 ASP A 123 -7.444 -12.238 -10.204 1.00 0.00 O ATOM 0 H ASP A 123 -5.862 -8.000 -8.043 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.982 -10.535 -6.992 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -7.057 -9.810 -9.569 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.393 -10.360 -9.541 1.00 0.00 H new ATOM 1887 N ARG A 124 -4.809 -11.323 -6.129 1.00 0.00 N ATOM 1888 CA ARG A 124 -3.550 -11.751 -5.532 1.00 0.00 C ATOM 1889 C ARG A 124 -2.524 -12.089 -6.610 1.00 0.00 C ATOM 1890 O ARG A 124 -1.331 -11.834 -6.449 1.00 0.00 O ATOM 1891 CB ARG A 124 -3.776 -12.966 -4.630 1.00 0.00 C ATOM 1892 CG ARG A 124 -4.509 -12.637 -3.339 1.00 0.00 C ATOM 1893 CD ARG A 124 -4.186 -13.641 -2.244 1.00 0.00 C ATOM 1894 NE ARG A 124 -4.533 -15.006 -2.633 1.00 0.00 N ATOM 1895 CZ ARG A 124 -5.783 -15.443 -2.742 1.00 0.00 C ATOM 1896 NH1 ARG A 124 -6.798 -14.627 -2.494 1.00 0.00 N ATOM 1897 NH2 ARG A 124 -6.018 -16.699 -3.101 1.00 0.00 N ATOM 0 H ARG A 124 -5.631 -11.815 -5.779 1.00 0.00 H new ATOM 0 HA ARG A 124 -3.163 -10.928 -4.932 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -4.345 -13.716 -5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -2.812 -13.412 -4.387 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -4.234 -11.635 -3.008 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -5.584 -12.629 -3.521 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -3.123 -13.590 -2.008 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -4.727 -13.374 -1.336 1.00 0.00 H new ATOM 0 HE ARG A 124 -3.775 -15.659 -2.832 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -6.620 -13.661 -2.219 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -7.757 -14.965 -2.578 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -5.239 -17.329 -3.293 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -6.978 -17.034 -3.185 1.00 0.00 H new ATOM 1911 N LYS A 125 -2.998 -12.666 -7.710 1.00 0.00 N ATOM 1912 CA LYS A 125 -2.124 -13.039 -8.816 1.00 0.00 C ATOM 1913 C LYS A 125 -1.265 -11.857 -9.254 1.00 0.00 C ATOM 1914 O LYS A 125 -0.274 -12.027 -9.963 1.00 0.00 O ATOM 1915 CB LYS A 125 -2.952 -13.547 -9.998 1.00 0.00 C ATOM 1916 CG LYS A 125 -3.201 -15.045 -9.967 1.00 0.00 C ATOM 1917 CD LYS A 125 -1.937 -15.828 -10.283 1.00 0.00 C ATOM 1918 CE LYS A 125 -1.566 -15.716 -11.753 1.00 0.00 C ATOM 1919 NZ LYS A 125 -0.393 -16.568 -12.095 1.00 0.00 N ATOM 0 H LYS A 125 -3.983 -12.885 -7.859 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.465 -13.836 -8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.910 -13.028 -10.009 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -2.440 -13.291 -10.926 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -3.572 -15.333 -8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -3.978 -15.300 -10.688 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.115 -15.458 -9.670 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -2.082 -16.876 -10.022 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -2.418 -16.008 -12.366 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -1.342 -14.677 -11.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -0.171 -16.464 -13.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 0.428 -16.273 -11.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -0.615 -17.563 -11.890 1.00 0.00 H new ATOM 1933 N GLU A 126 -1.653 -10.659 -8.825 1.00 0.00 N ATOM 1934 CA GLU A 126 -0.917 -9.449 -9.174 1.00 0.00 C ATOM 1935 C GLU A 126 -0.076 -8.966 -7.996 1.00 0.00 C ATOM 1936 O GLU A 126 0.856 -8.180 -8.165 1.00 0.00 O ATOM 1937 CB GLU A 126 -1.883 -8.346 -9.611 1.00 0.00 C ATOM 1938 CG GLU A 126 -2.392 -8.512 -11.033 1.00 0.00 C ATOM 1939 CD GLU A 126 -2.674 -7.185 -11.710 1.00 0.00 C ATOM 1940 OE1 GLU A 126 -3.802 -6.670 -11.557 1.00 0.00 O ATOM 1941 OE2 GLU A 126 -1.769 -6.661 -12.392 1.00 0.00 O ATOM 0 H GLU A 126 -2.471 -10.501 -8.237 1.00 0.00 H new ATOM 0 HA GLU A 126 -0.249 -9.686 -10.002 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -2.733 -8.328 -8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.384 -7.381 -9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -1.655 -9.064 -11.617 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -3.303 -9.111 -11.021 1.00 0.00 H new ATOM 1948 N LEU A 127 -0.412 -9.442 -6.802 1.00 0.00 N ATOM 1949 CA LEU A 127 0.311 -9.058 -5.594 1.00 0.00 C ATOM 1950 C LEU A 127 1.729 -9.618 -5.609 1.00 0.00 C ATOM 1951 O LEU A 127 2.576 -9.211 -4.814 1.00 0.00 O ATOM 1952 CB LEU A 127 -0.433 -9.552 -4.351 1.00 0.00 C ATOM 1953 CG LEU A 127 -1.513 -8.607 -3.826 1.00 0.00 C ATOM 1954 CD1 LEU A 127 -0.885 -7.436 -3.086 1.00 0.00 C ATOM 1955 CD2 LEU A 127 -2.387 -8.110 -4.967 1.00 0.00 C ATOM 0 H LEU A 127 -1.180 -10.094 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 127 0.370 -7.970 -5.565 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -0.893 -10.514 -4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 127 0.293 -9.726 -3.557 1.00 0.00 H new ATOM 0 HG LEU A 127 -2.141 -9.158 -3.126 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -1.670 -6.774 -2.720 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -0.302 -7.808 -2.244 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -0.233 -6.885 -3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -3.151 -7.438 -4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -1.771 -7.576 -5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -2.866 -8.959 -5.454 1.00 0.00 H new ATOM 1967 N GLU A 128 1.981 -10.555 -6.518 1.00 0.00 N ATOM 1968 CA GLU A 128 3.297 -11.172 -6.636 1.00 0.00 C ATOM 1969 C GLU A 128 4.391 -10.110 -6.703 1.00 0.00 C ATOM 1970 O GLU A 128 4.562 -9.445 -7.724 1.00 0.00 O ATOM 1971 CB GLU A 128 3.358 -12.063 -7.878 1.00 0.00 C ATOM 1972 CG GLU A 128 2.150 -12.972 -8.035 1.00 0.00 C ATOM 1973 CD GLU A 128 2.482 -14.263 -8.757 1.00 0.00 C ATOM 1974 OE1 GLU A 128 3.554 -14.841 -8.479 1.00 0.00 O ATOM 1975 OE2 GLU A 128 1.670 -14.696 -9.601 1.00 0.00 O ATOM 0 H GLU A 128 1.291 -10.903 -7.183 1.00 0.00 H new ATOM 0 HA GLU A 128 3.464 -11.785 -5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 128 3.445 -11.433 -8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.259 -12.675 -7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 128 1.745 -13.205 -7.050 1.00 0.00 H new ATOM 0 HG3 GLU A 128 1.371 -12.443 -8.584 1.00 0.00 H new ATOM 1982 N GLU A 129 5.129 -9.959 -5.608 1.00 0.00 N ATOM 1983 CA GLU A 129 6.205 -8.977 -5.542 1.00 0.00 C ATOM 1984 C GLU A 129 6.960 -8.908 -6.867 1.00 0.00 C ATOM 1985 O GLU A 129 7.476 -7.857 -7.246 1.00 0.00 O ATOM 1986 CB GLU A 129 7.173 -9.324 -4.409 1.00 0.00 C ATOM 1987 CG GLU A 129 8.270 -8.292 -4.208 1.00 0.00 C ATOM 1988 CD GLU A 129 9.533 -8.889 -3.619 1.00 0.00 C ATOM 1989 OE1 GLU A 129 9.769 -10.098 -3.825 1.00 0.00 O ATOM 1990 OE2 GLU A 129 10.285 -8.149 -2.951 1.00 0.00 O ATOM 0 H GLU A 129 5.002 -10.504 -4.755 1.00 0.00 H new ATOM 0 HA GLU A 129 5.761 -8.001 -5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.610 -9.429 -3.481 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.630 -10.292 -4.616 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.505 -7.826 -5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 129 7.905 -7.503 -3.551 1.00 0.00 H new ATOM 1997 N ASP A 130 7.019 -10.036 -7.567 1.00 0.00 N ATOM 1998 CA ASP A 130 7.710 -10.105 -8.849 1.00 0.00 C ATOM 1999 C ASP A 130 7.097 -9.129 -9.849 1.00 0.00 C ATOM 2000 O ASP A 130 7.811 -8.399 -10.537 1.00 0.00 O ATOM 2001 CB ASP A 130 7.654 -11.528 -9.407 1.00 0.00 C ATOM 2002 CG ASP A 130 8.363 -12.528 -8.515 1.00 0.00 C ATOM 2003 OD1 ASP A 130 9.442 -12.189 -7.985 1.00 0.00 O ATOM 2004 OD2 ASP A 130 7.840 -13.648 -8.347 1.00 0.00 O ATOM 0 H ASP A 130 6.597 -10.915 -7.268 1.00 0.00 H new ATOM 0 HA ASP A 130 8.752 -9.827 -8.688 1.00 0.00 H new ATOM 0 HB2 ASP A 130 6.613 -11.827 -9.527 1.00 0.00 H new ATOM 0 HB3 ASP A 130 8.107 -11.545 -10.398 1.00 0.00 H new ATOM 2009 N PHE A 131 5.770 -9.122 -9.924 1.00 0.00 N ATOM 2010 CA PHE A 131 5.061 -8.237 -10.841 1.00 0.00 C ATOM 2011 C PHE A 131 5.225 -6.778 -10.426 1.00 0.00 C ATOM 2012 O PHE A 131 5.337 -5.890 -11.271 1.00 0.00 O ATOM 2013 CB PHE A 131 3.576 -8.602 -10.889 1.00 0.00 C ATOM 2014 CG PHE A 131 2.742 -7.620 -11.662 1.00 0.00 C ATOM 2015 CD1 PHE A 131 3.033 -7.335 -12.986 1.00 0.00 C ATOM 2016 CD2 PHE A 131 1.667 -6.982 -11.064 1.00 0.00 C ATOM 2017 CE1 PHE A 131 2.268 -6.431 -13.699 1.00 0.00 C ATOM 2018 CE2 PHE A 131 0.898 -6.078 -11.773 1.00 0.00 C ATOM 2019 CZ PHE A 131 1.199 -5.803 -13.092 1.00 0.00 C ATOM 0 H PHE A 131 5.164 -9.719 -9.361 1.00 0.00 H new ATOM 0 HA PHE A 131 5.492 -8.364 -11.834 1.00 0.00 H new ATOM 0 HB2 PHE A 131 3.467 -9.590 -11.336 1.00 0.00 H new ATOM 0 HB3 PHE A 131 3.193 -8.669 -9.871 1.00 0.00 H new ATOM 0 HD1 PHE A 131 3.867 -7.825 -13.467 1.00 0.00 H new ATOM 0 HD2 PHE A 131 1.427 -7.193 -10.032 1.00 0.00 H new ATOM 0 HE1 PHE A 131 2.506 -6.216 -14.730 1.00 0.00 H new ATOM 0 HE2 PHE A 131 0.063 -5.587 -11.296 1.00 0.00 H new ATOM 0 HZ PHE A 131 0.599 -5.098 -13.648 1.00 0.00 H new ATOM 2029 N ILE A 132 5.238 -6.540 -9.118 1.00 0.00 N ATOM 2030 CA ILE A 132 5.388 -5.190 -8.590 1.00 0.00 C ATOM 2031 C ILE A 132 6.705 -4.566 -9.041 1.00 0.00 C ATOM 2032 O ILE A 132 6.730 -3.449 -9.558 1.00 0.00 O ATOM 2033 CB ILE A 132 5.328 -5.177 -7.051 1.00 0.00 C ATOM 2034 CG1 ILE A 132 4.120 -5.978 -6.560 1.00 0.00 C ATOM 2035 CG2 ILE A 132 5.267 -3.747 -6.535 1.00 0.00 C ATOM 2036 CD1 ILE A 132 2.803 -5.491 -7.121 1.00 0.00 C ATOM 0 H ILE A 132 5.147 -7.264 -8.406 1.00 0.00 H new ATOM 0 HA ILE A 132 4.557 -4.604 -8.983 1.00 0.00 H new ATOM 0 HB ILE A 132 6.233 -5.644 -6.663 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.255 -7.025 -6.829 1.00 0.00 H new ATOM 0 HG13 ILE A 132 4.081 -5.931 -5.472 1.00 0.00 H new ATOM 0 HG21 ILE A 132 5.225 -3.755 -5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 132 6.155 -3.205 -6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 132 4.377 -3.256 -6.929 1.00 0.00 H new ATOM 0 HD11 ILE A 132 1.992 -6.105 -6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 132 2.645 -4.453 -6.830 1.00 0.00 H new ATOM 0 HD13 ILE A 132 2.822 -5.564 -8.208 1.00 0.00 H new ATOM 2048 N ARG A 133 7.797 -5.297 -8.844 1.00 0.00 N ATOM 2049 CA ARG A 133 9.118 -4.817 -9.231 1.00 0.00 C ATOM 2050 C ARG A 133 9.107 -4.292 -10.664 1.00 0.00 C ATOM 2051 O ARG A 133 9.450 -3.136 -10.915 1.00 0.00 O ATOM 2052 CB ARG A 133 10.152 -5.936 -9.095 1.00 0.00 C ATOM 2053 CG ARG A 133 10.811 -5.993 -7.726 1.00 0.00 C ATOM 2054 CD ARG A 133 10.040 -6.892 -6.773 1.00 0.00 C ATOM 2055 NE ARG A 133 10.854 -7.308 -5.634 1.00 0.00 N ATOM 2056 CZ ARG A 133 11.809 -8.228 -5.711 1.00 0.00 C ATOM 2057 NH1 ARG A 133 12.070 -8.823 -6.866 1.00 0.00 N ATOM 2058 NH2 ARG A 133 12.507 -8.553 -4.630 1.00 0.00 N ATOM 0 H ARG A 133 7.793 -6.224 -8.419 1.00 0.00 H new ATOM 0 HA ARG A 133 9.389 -3.999 -8.564 1.00 0.00 H new ATOM 0 HB2 ARG A 133 9.669 -6.892 -9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 133 10.922 -5.802 -9.854 1.00 0.00 H new ATOM 0 HG2 ARG A 133 11.832 -6.360 -7.828 1.00 0.00 H new ATOM 0 HG3 ARG A 133 10.874 -4.988 -7.309 1.00 0.00 H new ATOM 0 HD2 ARG A 133 9.156 -6.366 -6.414 1.00 0.00 H new ATOM 0 HD3 ARG A 133 9.690 -7.774 -7.310 1.00 0.00 H new ATOM 0 HE ARG A 133 10.680 -6.868 -4.730 1.00 0.00 H new ATOM 0 HH11 ARG A 133 11.537 -8.575 -7.699 1.00 0.00 H new ATOM 0 HH12 ARG A 133 12.804 -9.529 -6.922 1.00 0.00 H new ATOM 0 HH21 ARG A 133 12.310 -8.096 -3.739 1.00 0.00 H new ATOM 0 HH22 ARG A 133 13.240 -9.260 -4.690 1.00 0.00 H new ATOM 2072 N SER A 134 8.713 -5.149 -11.600 1.00 0.00 N ATOM 2073 CA SER A 134 8.661 -4.773 -13.008 1.00 0.00 C ATOM 2074 C SER A 134 8.096 -3.366 -13.174 1.00 0.00 C ATOM 2075 O SER A 134 8.597 -2.575 -13.972 1.00 0.00 O ATOM 2076 CB SER A 134 7.811 -5.773 -13.794 1.00 0.00 C ATOM 2077 OG SER A 134 8.555 -6.938 -14.109 1.00 0.00 O ATOM 0 H SER A 134 8.425 -6.109 -11.409 1.00 0.00 H new ATOM 0 HA SER A 134 9.678 -4.786 -13.400 1.00 0.00 H new ATOM 0 HB2 SER A 134 6.932 -6.046 -13.210 1.00 0.00 H new ATOM 0 HB3 SER A 134 7.452 -5.308 -14.712 1.00 0.00 H new ATOM 0 HG SER A 134 7.989 -7.562 -14.610 1.00 0.00 H new ATOM 2083 N GLU A 135 7.047 -3.063 -12.416 1.00 0.00 N ATOM 2084 CA GLU A 135 6.412 -1.752 -12.480 1.00 0.00 C ATOM 2085 C GLU A 135 7.398 -0.651 -12.099 1.00 0.00 C ATOM 2086 O GLU A 135 7.540 0.343 -12.811 1.00 0.00 O ATOM 2087 CB GLU A 135 5.195 -1.704 -11.553 1.00 0.00 C ATOM 2088 CG GLU A 135 4.131 -2.734 -11.893 1.00 0.00 C ATOM 2089 CD GLU A 135 3.252 -2.304 -13.052 1.00 0.00 C ATOM 2090 OE1 GLU A 135 3.156 -1.085 -13.304 1.00 0.00 O ATOM 2091 OE2 GLU A 135 2.660 -3.188 -13.706 1.00 0.00 O ATOM 0 H GLU A 135 6.619 -3.707 -11.751 1.00 0.00 H new ATOM 0 HA GLU A 135 6.085 -1.585 -13.506 1.00 0.00 H new ATOM 0 HB2 GLU A 135 5.525 -1.860 -10.526 1.00 0.00 H new ATOM 0 HB3 GLU A 135 4.753 -0.709 -11.598 1.00 0.00 H new ATOM 0 HG2 GLU A 135 4.612 -3.681 -12.139 1.00 0.00 H new ATOM 0 HG3 GLU A 135 3.509 -2.911 -11.016 1.00 0.00 H new