USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 826 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 13 ASN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 19 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.0037) USER MOD Single : A 20 TYR OH : rot -17:sc= 0.22 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -11.6! C(o=-12!,f=-13!) USER MOD Single : A 25 THR OG1 : rot -51:sc= 1.28 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.379) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 54 HIS : no HD1:sc=-0.00471 X(o=-0.0047,f=-0.0054) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -0.0182 K(o=-0.018,f=-0.53) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.0861 K(o=0.086,f=-3!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 70:sc= 0.891 USER MOD Single : A 80 SER OG : rot 59:sc= 1.25 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -5:sc= -0.116 USER MOD Single : A 92 HIS : no HD1:sc= -2.21! K(o=-2.2!,f=-0.57) USER MOD Single : A 95 LYS NZ :NH3+ -153:sc= -0.681 (180deg=-2.26!) USER MOD Single : A 97 ASN : amide:sc= 0.139 K(o=0.14,f=-4.1!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= -0.271 K(o=-0.27,f=-3.7!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N ASN A 13 -10.139 -5.158 10.338 1.00 0.00 N ATOM 143 CA ASN A 13 -10.714 -5.769 9.144 1.00 0.00 C ATOM 144 C ASN A 13 -9.769 -5.633 7.955 1.00 0.00 C ATOM 145 O ASN A 13 -10.200 -5.633 6.803 1.00 0.00 O ATOM 146 CB ASN A 13 -12.062 -5.124 8.815 1.00 0.00 C ATOM 147 CG ASN A 13 -13.049 -5.228 9.963 1.00 0.00 C ATOM 148 OD1 ASN A 13 -13.836 -6.172 10.035 1.00 0.00 O ATOM 149 ND2 ASN A 13 -13.010 -4.255 10.866 1.00 0.00 N ATOM 0 HA ASN A 13 -10.866 -6.829 9.345 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -11.908 -4.074 8.566 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.485 -5.603 7.932 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -13.650 -4.270 11.660 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -12.340 -3.492 10.765 1.00 0.00 H new ATOM 156 N GLY A 14 -8.476 -5.518 8.243 1.00 0.00 N ATOM 157 CA GLY A 14 -7.490 -5.383 7.187 1.00 0.00 C ATOM 158 C GLY A 14 -6.798 -6.694 6.869 1.00 0.00 C ATOM 159 O GLY A 14 -7.383 -7.766 7.027 1.00 0.00 O ATOM 0 H GLY A 14 -8.094 -5.516 9.189 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.975 -5.004 6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.745 -4.645 7.482 1.00 0.00 H new ATOM 163 N ALA A 15 -5.551 -6.610 6.420 1.00 0.00 N ATOM 164 CA ALA A 15 -4.779 -7.799 6.079 1.00 0.00 C ATOM 165 C ALA A 15 -3.319 -7.642 6.491 1.00 0.00 C ATOM 166 O ALA A 15 -2.632 -6.725 6.040 1.00 0.00 O ATOM 167 CB ALA A 15 -4.882 -8.086 4.589 1.00 0.00 C ATOM 0 H ALA A 15 -5.053 -5.730 6.284 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.195 -8.643 6.629 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.301 -8.976 4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.926 -8.251 4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.493 -7.237 4.027 1.00 0.00 H new ATOM 173 N ASP A 16 -2.852 -8.542 7.349 1.00 0.00 N ATOM 174 CA ASP A 16 -1.472 -8.503 7.821 1.00 0.00 C ATOM 175 C ASP A 16 -0.532 -9.140 6.803 1.00 0.00 C ATOM 176 O ASP A 16 -0.552 -10.355 6.598 1.00 0.00 O ATOM 177 CB ASP A 16 -1.351 -9.222 9.166 1.00 0.00 C ATOM 178 CG ASP A 16 -1.706 -8.325 10.335 1.00 0.00 C ATOM 179 OD1 ASP A 16 -1.165 -7.202 10.407 1.00 0.00 O ATOM 180 OD2 ASP A 16 -2.523 -8.746 11.180 1.00 0.00 O ATOM 0 H ASP A 16 -3.408 -9.307 7.732 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.186 -7.459 7.949 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.005 -10.094 9.169 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.332 -9.588 9.289 1.00 0.00 H new ATOM 185 N LEU A 17 0.291 -8.314 6.167 1.00 0.00 N ATOM 186 CA LEU A 17 1.239 -8.796 5.169 1.00 0.00 C ATOM 187 C LEU A 17 2.674 -8.655 5.668 1.00 0.00 C ATOM 188 O LEU A 17 2.990 -7.794 6.488 1.00 0.00 O ATOM 189 CB LEU A 17 1.066 -8.027 3.858 1.00 0.00 C ATOM 190 CG LEU A 17 -0.345 -7.515 3.562 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.288 -6.257 2.708 1.00 0.00 C ATOM 192 CD2 LEU A 17 -1.169 -8.592 2.873 1.00 0.00 C ATOM 0 H LEU A 17 0.321 -7.307 6.325 1.00 0.00 H new ATOM 0 HA LEU A 17 1.037 -9.852 4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.746 -7.175 3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.376 -8.673 3.037 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.827 -7.266 4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.301 -5.907 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.265 -5.482 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.212 -6.479 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.170 -8.210 2.670 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.690 -8.872 1.935 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.238 -9.467 3.520 1.00 0.00 H new ATOM 204 N PRO A 18 3.564 -9.520 5.161 1.00 0.00 N ATOM 205 CA PRO A 18 4.981 -9.511 5.538 1.00 0.00 C ATOM 206 C PRO A 18 5.716 -8.288 5.002 1.00 0.00 C ATOM 207 O PRO A 18 6.749 -7.889 5.537 1.00 0.00 O ATOM 208 CB PRO A 18 5.528 -10.788 4.896 1.00 0.00 C ATOM 209 CG PRO A 18 4.616 -11.056 3.749 1.00 0.00 C ATOM 210 CD PRO A 18 3.258 -10.574 4.178 1.00 0.00 C ATOM 0 HA PRO A 18 5.114 -9.471 6.619 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.556 -10.653 4.561 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.529 -11.617 5.603 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.951 -10.532 2.854 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.595 -12.119 3.508 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.686 -10.184 3.336 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.668 -11.377 4.620 1.00 0.00 H new ATOM 218 N ASN A 19 5.176 -7.697 3.941 1.00 0.00 N ATOM 219 CA ASN A 19 5.781 -6.518 3.332 1.00 0.00 C ATOM 220 C ASN A 19 5.279 -5.242 4.000 1.00 0.00 C ATOM 221 O ASN A 19 6.019 -4.267 4.135 1.00 0.00 O ATOM 222 CB ASN A 19 5.474 -6.478 1.834 1.00 0.00 C ATOM 223 CG ASN A 19 6.269 -7.506 1.052 1.00 0.00 C ATOM 224 OD1 ASN A 19 5.703 -8.325 0.327 1.00 0.00 O ATOM 225 ND2 ASN A 19 7.588 -7.469 1.198 1.00 0.00 N ATOM 0 H ASN A 19 4.321 -8.015 3.485 1.00 0.00 H new ATOM 0 HA ASN A 19 6.860 -6.580 3.473 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.409 -6.652 1.680 1.00 0.00 H new ATOM 0 HB3 ASN A 19 5.693 -5.483 1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 19 8.175 -8.137 0.699 1.00 0.00 H new ATOM 0 HD22 ASN A 19 8.014 -6.773 1.810 1.00 0.00 H new ATOM 232 N TYR A 20 4.018 -5.255 4.416 1.00 0.00 N ATOM 233 CA TYR A 20 3.416 -4.099 5.069 1.00 0.00 C ATOM 234 C TYR A 20 2.031 -4.439 5.611 1.00 0.00 C ATOM 235 O TYR A 20 1.401 -5.403 5.177 1.00 0.00 O ATOM 236 CB TYR A 20 3.319 -2.928 4.090 1.00 0.00 C ATOM 237 CG TYR A 20 2.825 -3.325 2.717 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.494 -3.666 2.508 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.689 -3.361 1.629 1.00 0.00 C ATOM 240 CE1 TYR A 20 1.039 -4.031 1.256 1.00 0.00 C ATOM 241 CE2 TYR A 20 3.242 -3.723 0.374 1.00 0.00 C ATOM 242 CZ TYR A 20 1.916 -4.057 0.192 1.00 0.00 C ATOM 243 OH TYR A 20 1.467 -4.420 -1.058 1.00 0.00 O ATOM 0 H TYR A 20 3.392 -6.054 4.313 1.00 0.00 H new ATOM 0 HA TYR A 20 4.053 -3.813 5.906 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.649 -2.174 4.504 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.301 -2.464 3.993 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.804 -3.645 3.338 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.728 -3.101 1.768 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.002 -4.295 1.111 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.927 -3.745 -0.461 1.00 0.00 H new ATOM 0 HH TYR A 20 0.606 -4.880 -0.975 1.00 0.00 H new ATOM 253 N ARG A 21 1.563 -3.639 6.563 1.00 0.00 N ATOM 254 CA ARG A 21 0.253 -3.854 7.167 1.00 0.00 C ATOM 255 C ARG A 21 -0.677 -2.679 6.880 1.00 0.00 C ATOM 256 O ARG A 21 -0.287 -1.519 7.012 1.00 0.00 O ATOM 257 CB ARG A 21 0.390 -4.053 8.677 1.00 0.00 C ATOM 258 CG ARG A 21 1.212 -2.973 9.361 1.00 0.00 C ATOM 259 CD ARG A 21 1.200 -3.137 10.873 1.00 0.00 C ATOM 260 NE ARG A 21 1.585 -1.908 11.561 1.00 0.00 N ATOM 261 CZ ARG A 21 1.280 -1.648 12.827 1.00 0.00 C ATOM 262 NH1 ARG A 21 0.591 -2.527 13.541 1.00 0.00 N ATOM 263 NH2 ARG A 21 1.666 -0.506 13.383 1.00 0.00 N ATOM 0 H ARG A 21 2.071 -2.836 6.933 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.179 -4.753 6.727 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.604 -4.079 9.123 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.850 -5.023 8.867 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.239 -3.011 8.998 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.817 -1.992 9.097 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.203 -3.437 11.197 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.882 -3.939 11.156 1.00 0.00 H new ATOM 0 HE ARG A 21 2.117 -1.211 11.041 1.00 0.00 H new ATOM 0 HH11 ARG A 21 0.293 -3.406 13.118 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.358 -2.324 14.513 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.197 0.173 12.838 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.431 -0.307 14.356 1.00 0.00 H new ATOM 277 N TRP A 22 -1.908 -2.988 6.487 1.00 0.00 N ATOM 278 CA TRP A 22 -2.893 -1.957 6.181 1.00 0.00 C ATOM 279 C TRP A 22 -4.271 -2.349 6.703 1.00 0.00 C ATOM 280 O TRP A 22 -4.707 -3.490 6.540 1.00 0.00 O ATOM 281 CB TRP A 22 -2.956 -1.714 4.672 1.00 0.00 C ATOM 282 CG TRP A 22 -3.489 -2.885 3.903 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.769 -3.767 3.149 1.00 0.00 C ATOM 284 CD2 TRP A 22 -4.857 -3.300 3.813 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.607 -4.706 2.596 1.00 0.00 N ATOM 286 CE2 TRP A 22 -4.892 -4.441 2.988 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.054 -2.820 4.350 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -6.078 -5.106 2.689 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.230 -3.481 4.052 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.236 -4.614 3.228 1.00 0.00 C ATOM 0 H TRP A 22 -2.247 -3.943 6.373 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.585 -1.037 6.677 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.584 -0.845 4.477 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.957 -1.474 4.308 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.699 -3.732 3.008 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.318 -5.475 1.992 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.060 -1.948 4.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.084 -5.980 2.054 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.161 -3.118 4.461 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.172 -5.109 3.014 1.00 0.00 H new ATOM 301 N THR A 23 -4.955 -1.398 7.331 1.00 0.00 N ATOM 302 CA THR A 23 -6.283 -1.645 7.877 1.00 0.00 C ATOM 303 C THR A 23 -7.324 -0.747 7.218 1.00 0.00 C ATOM 304 O THR A 23 -7.063 0.424 6.946 1.00 0.00 O ATOM 305 CB THR A 23 -6.315 -1.417 9.400 1.00 0.00 C ATOM 306 OG1 THR A 23 -5.795 -0.119 9.712 1.00 0.00 O ATOM 307 CG2 THR A 23 -5.504 -2.481 10.124 1.00 0.00 C ATOM 0 H THR A 23 -4.610 -0.449 7.474 1.00 0.00 H new ATOM 0 HA THR A 23 -6.522 -2.688 7.668 1.00 0.00 H new ATOM 0 HB THR A 23 -7.351 -1.483 9.733 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.820 0.019 10.682 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.542 -2.299 11.198 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.920 -3.465 9.908 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.469 -2.442 9.785 1.00 0.00 H new ATOM 315 N GLN A 24 -8.504 -1.304 6.966 1.00 0.00 N ATOM 316 CA GLN A 24 -9.585 -0.552 6.338 1.00 0.00 C ATOM 317 C GLN A 24 -10.774 -0.419 7.283 1.00 0.00 C ATOM 318 O GLN A 24 -11.159 -1.376 7.955 1.00 0.00 O ATOM 319 CB GLN A 24 -10.022 -1.234 5.041 1.00 0.00 C ATOM 320 CG GLN A 24 -10.695 -2.580 5.258 1.00 0.00 C ATOM 321 CD GLN A 24 -10.484 -3.531 4.096 1.00 0.00 C ATOM 322 OE1 GLN A 24 -9.975 -3.142 3.045 1.00 0.00 O ATOM 323 NE2 GLN A 24 -10.875 -4.787 4.281 1.00 0.00 N ATOM 0 H GLN A 24 -8.736 -2.272 7.187 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.214 0.447 6.107 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.708 -0.576 4.508 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.150 -1.372 4.401 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.306 -3.034 6.169 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.764 -2.428 5.409 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.292 -5.066 5.169 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.758 -5.473 3.535 1.00 0.00 H new ATOM 332 N THR A 25 -11.355 0.777 7.330 1.00 0.00 N ATOM 333 CA THR A 25 -12.500 1.036 8.193 1.00 0.00 C ATOM 334 C THR A 25 -13.579 1.820 7.455 1.00 0.00 C ATOM 335 O THR A 25 -13.279 2.676 6.622 1.00 0.00 O ATOM 336 CB THR A 25 -12.087 1.818 9.455 1.00 0.00 C ATOM 337 OG1 THR A 25 -11.794 3.178 9.115 1.00 0.00 O ATOM 338 CG2 THR A 25 -10.872 1.181 10.112 1.00 0.00 C ATOM 0 H THR A 25 -11.051 1.581 6.780 1.00 0.00 H new ATOM 0 HA THR A 25 -12.898 0.065 8.489 1.00 0.00 H new ATOM 0 HB THR A 25 -12.918 1.792 10.160 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.162 3.199 8.366 1.00 0.00 H new ATOM 0 HG21 THR A 25 -10.599 1.750 11.001 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.108 0.155 10.396 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.038 1.180 9.411 1.00 0.00 H new ATOM 346 N LEU A 26 -14.836 1.522 7.764 1.00 0.00 N ATOM 347 CA LEU A 26 -15.962 2.200 7.130 1.00 0.00 C ATOM 348 C LEU A 26 -15.655 3.679 6.913 1.00 0.00 C ATOM 349 O LEU A 26 -16.173 4.301 5.986 1.00 0.00 O ATOM 350 CB LEU A 26 -17.221 2.049 7.984 1.00 0.00 C ATOM 351 CG LEU A 26 -18.030 0.770 7.768 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.191 0.700 8.747 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.534 0.693 6.334 1.00 0.00 C ATOM 0 H LEU A 26 -15.102 0.815 8.450 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.132 1.737 6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -16.932 2.099 9.034 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -17.871 2.903 7.791 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.377 -0.084 7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.755 -0.217 8.578 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.808 0.707 9.767 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.844 1.560 8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.108 -0.224 6.199 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.170 1.553 6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.686 0.695 5.650 1.00 0.00 H new ATOM 365 N ALA A 27 -14.806 4.234 7.772 1.00 0.00 N ATOM 366 CA ALA A 27 -14.427 5.637 7.672 1.00 0.00 C ATOM 367 C ALA A 27 -13.371 5.845 6.591 1.00 0.00 C ATOM 368 O ALA A 27 -13.623 6.507 5.584 1.00 0.00 O ATOM 369 CB ALA A 27 -13.917 6.144 9.013 1.00 0.00 C ATOM 0 H ALA A 27 -14.368 3.733 8.545 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.313 6.207 7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.638 7.194 8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.701 6.040 9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.047 5.562 9.315 1.00 0.00 H new ATOM 375 N GLU A 28 -12.189 5.276 6.807 1.00 0.00 N ATOM 376 CA GLU A 28 -11.096 5.401 5.850 1.00 0.00 C ATOM 377 C GLU A 28 -10.146 4.211 5.952 1.00 0.00 C ATOM 378 O GLU A 28 -10.314 3.339 6.805 1.00 0.00 O ATOM 379 CB GLU A 28 -10.328 6.703 6.087 1.00 0.00 C ATOM 380 CG GLU A 28 -9.763 6.830 7.492 1.00 0.00 C ATOM 381 CD GLU A 28 -10.749 7.449 8.463 1.00 0.00 C ATOM 382 OE1 GLU A 28 -11.317 8.512 8.135 1.00 0.00 O ATOM 383 OE2 GLU A 28 -10.954 6.871 9.551 1.00 0.00 O ATOM 0 H GLU A 28 -11.964 4.725 7.635 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.524 5.418 4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.511 6.769 5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.991 7.546 5.894 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.473 5.843 7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.858 7.437 7.462 1.00 0.00 H new ATOM 390 N LEU A 29 -9.147 4.183 5.076 1.00 0.00 N ATOM 391 CA LEU A 29 -8.169 3.100 5.065 1.00 0.00 C ATOM 392 C LEU A 29 -6.790 3.609 5.472 1.00 0.00 C ATOM 393 O LEU A 29 -6.284 4.579 4.907 1.00 0.00 O ATOM 394 CB LEU A 29 -8.101 2.461 3.677 1.00 0.00 C ATOM 395 CG LEU A 29 -7.655 1.000 3.632 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.296 0.282 2.454 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.138 0.907 3.554 1.00 0.00 C ATOM 0 H LEU A 29 -8.993 4.897 4.364 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.487 2.349 5.788 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.087 2.533 3.217 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.418 3.047 3.062 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.982 0.512 4.550 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.967 -0.757 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.381 0.317 2.553 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -8.000 0.770 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.839 -0.141 3.523 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.788 1.411 2.653 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.699 1.384 4.430 1.00 0.00 H new ATOM 409 N ASP A 30 -6.187 2.947 6.453 1.00 0.00 N ATOM 410 CA ASP A 30 -4.864 3.330 6.933 1.00 0.00 C ATOM 411 C ASP A 30 -3.829 2.267 6.580 1.00 0.00 C ATOM 412 O ASP A 30 -3.914 1.126 7.037 1.00 0.00 O ATOM 413 CB ASP A 30 -4.892 3.549 8.447 1.00 0.00 C ATOM 414 CG ASP A 30 -5.643 4.807 8.836 1.00 0.00 C ATOM 415 OD1 ASP A 30 -6.891 4.780 8.824 1.00 0.00 O ATOM 416 OD2 ASP A 30 -4.983 5.820 9.151 1.00 0.00 O ATOM 0 H ASP A 30 -6.593 2.143 6.931 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.582 4.262 6.443 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.358 2.688 8.927 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.870 3.609 8.822 1.00 0.00 H new ATOM 421 N LEU A 31 -2.853 2.647 5.763 1.00 0.00 N ATOM 422 CA LEU A 31 -1.801 1.726 5.347 1.00 0.00 C ATOM 423 C LEU A 31 -0.498 2.019 6.084 1.00 0.00 C ATOM 424 O LEU A 31 -0.232 3.158 6.466 1.00 0.00 O ATOM 425 CB LEU A 31 -1.579 1.824 3.837 1.00 0.00 C ATOM 426 CG LEU A 31 -0.227 1.327 3.324 1.00 0.00 C ATOM 427 CD1 LEU A 31 -0.221 -0.190 3.217 1.00 0.00 C ATOM 428 CD2 LEU A 31 0.098 1.959 1.978 1.00 0.00 C ATOM 0 H LEU A 31 -2.768 3.587 5.375 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.118 0.714 5.597 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.365 1.258 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.697 2.866 3.539 1.00 0.00 H new ATOM 0 HG LEU A 31 0.542 1.624 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.749 -0.525 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.408 -0.625 4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.000 -0.509 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.064 1.594 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.674 1.693 1.256 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.137 3.043 2.085 1.00 0.00 H new ATOM 440 N ALA A 32 0.311 0.983 6.279 1.00 0.00 N ATOM 441 CA ALA A 32 1.588 1.129 6.966 1.00 0.00 C ATOM 442 C ALA A 32 2.664 0.266 6.316 1.00 0.00 C ATOM 443 O ALA A 32 2.579 -0.962 6.326 1.00 0.00 O ATOM 444 CB ALA A 32 1.440 0.772 8.438 1.00 0.00 C ATOM 0 H ALA A 32 0.104 0.033 5.971 1.00 0.00 H new ATOM 0 HA ALA A 32 1.898 2.171 6.886 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.402 0.886 8.938 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.709 1.435 8.901 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.103 -0.261 8.530 1.00 0.00 H new ATOM 450 N VAL A 33 3.676 0.916 5.750 1.00 0.00 N ATOM 451 CA VAL A 33 4.769 0.207 5.094 1.00 0.00 C ATOM 452 C VAL A 33 6.092 0.458 5.808 1.00 0.00 C ATOM 453 O VAL A 33 6.688 1.531 5.706 1.00 0.00 O ATOM 454 CB VAL A 33 4.906 0.628 3.619 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.023 -0.152 2.943 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.588 0.433 2.885 1.00 0.00 C ATOM 0 H VAL A 33 3.762 1.932 5.732 1.00 0.00 H new ATOM 0 HA VAL A 33 4.530 -0.856 5.140 1.00 0.00 H new ATOM 0 HB VAL A 33 5.162 1.687 3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.105 0.159 1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.965 0.044 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.801 -1.218 2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.703 0.735 1.844 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.300 -0.617 2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.816 1.041 3.356 1.00 0.00 H new ATOM 466 N PRO A 34 6.566 -0.554 6.549 1.00 0.00 N ATOM 467 CA PRO A 34 7.825 -0.468 7.295 1.00 0.00 C ATOM 468 C PRO A 34 9.042 -0.442 6.376 1.00 0.00 C ATOM 469 O PRO A 34 9.245 -1.352 5.571 1.00 0.00 O ATOM 470 CB PRO A 34 7.823 -1.742 8.143 1.00 0.00 C ATOM 471 CG PRO A 34 6.962 -2.697 7.391 1.00 0.00 C ATOM 472 CD PRO A 34 5.909 -1.862 6.716 1.00 0.00 C ATOM 0 HA PRO A 34 7.890 0.449 7.880 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.832 -2.134 8.270 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.427 -1.553 9.141 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.546 -3.256 6.659 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.510 -3.427 8.063 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.612 -2.288 5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.007 -1.784 7.323 1.00 0.00 H new ATOM 480 N PHE A 35 9.850 0.605 6.501 1.00 0.00 N ATOM 481 CA PHE A 35 11.047 0.750 5.680 1.00 0.00 C ATOM 482 C PHE A 35 12.289 0.305 6.448 1.00 0.00 C ATOM 483 O PHE A 35 12.683 0.934 7.430 1.00 0.00 O ATOM 484 CB PHE A 35 11.207 2.202 5.226 1.00 0.00 C ATOM 485 CG PHE A 35 10.305 2.576 4.085 1.00 0.00 C ATOM 486 CD1 PHE A 35 9.047 2.008 3.964 1.00 0.00 C ATOM 487 CD2 PHE A 35 10.715 3.496 3.133 1.00 0.00 C ATOM 488 CE1 PHE A 35 8.214 2.351 2.915 1.00 0.00 C ATOM 489 CE2 PHE A 35 9.887 3.842 2.082 1.00 0.00 C ATOM 490 CZ PHE A 35 8.635 3.268 1.973 1.00 0.00 C ATOM 0 H PHE A 35 9.698 1.366 7.163 1.00 0.00 H new ATOM 0 HA PHE A 35 10.936 0.113 4.803 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.005 2.862 6.069 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.243 2.370 4.930 1.00 0.00 H new ATOM 0 HD1 PHE A 35 8.713 1.289 4.698 1.00 0.00 H new ATOM 0 HD2 PHE A 35 11.693 3.948 3.213 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.235 1.902 2.833 1.00 0.00 H new ATOM 0 HE2 PHE A 35 10.218 4.560 1.347 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.987 3.536 1.152 1.00 0.00 H new ATOM 500 N ARG A 36 12.900 -0.784 5.992 1.00 0.00 N ATOM 501 CA ARG A 36 14.096 -1.314 6.636 1.00 0.00 C ATOM 502 C ARG A 36 15.234 -0.299 6.589 1.00 0.00 C ATOM 503 O ARG A 36 16.107 -0.370 5.724 1.00 0.00 O ATOM 504 CB ARG A 36 14.530 -2.616 5.959 1.00 0.00 C ATOM 505 CG ARG A 36 15.443 -3.474 6.819 1.00 0.00 C ATOM 506 CD ARG A 36 16.044 -4.620 6.021 1.00 0.00 C ATOM 507 NE ARG A 36 17.349 -5.023 6.540 1.00 0.00 N ATOM 508 CZ ARG A 36 17.982 -6.127 6.159 1.00 0.00 C ATOM 509 NH1 ARG A 36 17.434 -6.933 5.261 1.00 0.00 N ATOM 510 NH2 ARG A 36 19.167 -6.425 6.677 1.00 0.00 N ATOM 0 H ARG A 36 12.587 -1.316 5.180 1.00 0.00 H new ATOM 0 HA ARG A 36 13.857 -1.517 7.680 1.00 0.00 H new ATOM 0 HB2 ARG A 36 13.643 -3.193 5.698 1.00 0.00 H new ATOM 0 HB3 ARG A 36 15.041 -2.378 5.026 1.00 0.00 H new ATOM 0 HG2 ARG A 36 16.242 -2.857 7.231 1.00 0.00 H new ATOM 0 HG3 ARG A 36 14.881 -3.873 7.663 1.00 0.00 H new ATOM 0 HD2 ARG A 36 15.366 -5.473 6.044 1.00 0.00 H new ATOM 0 HD3 ARG A 36 16.145 -4.321 4.978 1.00 0.00 H new ATOM 0 HE ARG A 36 17.798 -4.424 7.233 1.00 0.00 H new ATOM 0 HH11 ARG A 36 16.524 -6.706 4.860 1.00 0.00 H new ATOM 0 HH12 ARG A 36 17.922 -7.780 4.970 1.00 0.00 H new ATOM 0 HH21 ARG A 36 19.592 -5.806 7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 36 19.653 -7.273 6.384 1.00 0.00 H new ATOM 524 N VAL A 37 15.217 0.644 7.525 1.00 0.00 N ATOM 525 CA VAL A 37 16.248 1.673 7.592 1.00 0.00 C ATOM 526 C VAL A 37 16.630 1.976 9.036 1.00 0.00 C ATOM 527 O VAL A 37 15.834 1.777 9.954 1.00 0.00 O ATOM 528 CB VAL A 37 15.786 2.975 6.910 1.00 0.00 C ATOM 529 CG1 VAL A 37 15.509 2.736 5.434 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.556 3.534 7.609 1.00 0.00 C ATOM 0 H VAL A 37 14.501 0.717 8.248 1.00 0.00 H new ATOM 0 HA VAL A 37 17.118 1.284 7.064 1.00 0.00 H new ATOM 0 HB VAL A 37 16.587 3.711 6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 37 15.184 3.667 4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 37 16.418 2.385 4.945 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.726 1.985 5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 37 14.243 4.454 7.115 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.748 2.804 7.563 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.795 3.746 8.651 1.00 0.00 H new ATOM 540 N SER A 38 17.853 2.460 9.230 1.00 0.00 N ATOM 541 CA SER A 38 18.342 2.788 10.564 1.00 0.00 C ATOM 542 C SER A 38 18.521 4.295 10.722 1.00 0.00 C ATOM 543 O SER A 38 19.308 4.755 11.549 1.00 0.00 O ATOM 544 CB SER A 38 19.668 2.074 10.834 1.00 0.00 C ATOM 545 OG SER A 38 19.452 0.733 11.238 1.00 0.00 O ATOM 0 H SER A 38 18.523 2.634 8.481 1.00 0.00 H new ATOM 0 HA SER A 38 17.601 2.450 11.289 1.00 0.00 H new ATOM 0 HB2 SER A 38 20.284 2.092 9.935 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.220 2.606 11.609 1.00 0.00 H new ATOM 0 HG SER A 38 20.315 0.298 11.403 1.00 0.00 H new ATOM 551 N PHE A 39 17.786 5.059 9.921 1.00 0.00 N ATOM 552 CA PHE A 39 17.863 6.514 9.970 1.00 0.00 C ATOM 553 C PHE A 39 16.485 7.139 9.772 1.00 0.00 C ATOM 554 O PHE A 39 15.478 6.435 9.692 1.00 0.00 O ATOM 555 CB PHE A 39 18.828 7.031 8.901 1.00 0.00 C ATOM 556 CG PHE A 39 18.389 6.723 7.498 1.00 0.00 C ATOM 557 CD1 PHE A 39 18.555 5.453 6.968 1.00 0.00 C ATOM 558 CD2 PHE A 39 17.809 7.703 6.708 1.00 0.00 C ATOM 559 CE1 PHE A 39 18.152 5.168 5.677 1.00 0.00 C ATOM 560 CE2 PHE A 39 17.404 7.424 5.417 1.00 0.00 C ATOM 561 CZ PHE A 39 17.575 6.154 4.901 1.00 0.00 C ATOM 0 H PHE A 39 17.130 4.695 9.230 1.00 0.00 H new ATOM 0 HA PHE A 39 18.234 6.800 10.954 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.935 8.110 9.011 1.00 0.00 H new ATOM 0 HB3 PHE A 39 19.812 6.594 9.069 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.004 4.677 7.571 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.672 8.697 7.107 1.00 0.00 H new ATOM 0 HE1 PHE A 39 18.288 4.175 5.275 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.954 8.198 4.812 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.258 5.933 3.893 1.00 0.00 H new ATOM 571 N ARG A 40 16.449 8.466 9.694 1.00 0.00 N ATOM 572 CA ARG A 40 15.196 9.186 9.508 1.00 0.00 C ATOM 573 C ARG A 40 14.927 9.435 8.026 1.00 0.00 C ATOM 574 O ARG A 40 15.758 10.009 7.321 1.00 0.00 O ATOM 575 CB ARG A 40 15.231 10.517 10.261 1.00 0.00 C ATOM 576 CG ARG A 40 13.866 10.980 10.744 1.00 0.00 C ATOM 577 CD ARG A 40 13.558 10.451 12.136 1.00 0.00 C ATOM 578 NE ARG A 40 12.292 10.967 12.650 1.00 0.00 N ATOM 579 CZ ARG A 40 11.982 10.999 13.941 1.00 0.00 C ATOM 580 NH1 ARG A 40 12.841 10.546 14.844 1.00 0.00 N ATOM 581 NH2 ARG A 40 10.810 11.484 14.331 1.00 0.00 N ATOM 0 H ARG A 40 17.273 9.063 9.757 1.00 0.00 H new ATOM 0 HA ARG A 40 14.390 8.571 9.908 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.897 10.422 11.118 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.655 11.282 9.610 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.832 12.069 10.752 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.099 10.642 10.047 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.522 9.362 12.110 1.00 0.00 H new ATOM 0 HD3 ARG A 40 14.364 10.727 12.815 1.00 0.00 H new ATOM 0 HE ARG A 40 11.609 11.322 11.981 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.742 10.172 14.548 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.600 10.572 15.835 1.00 0.00 H new ATOM 0 HH21 ARG A 40 10.147 11.833 13.639 1.00 0.00 H new ATOM 0 HH22 ARG A 40 10.573 11.508 15.323 1.00 0.00 H new ATOM 595 N LEU A 41 13.761 9.000 7.561 1.00 0.00 N ATOM 596 CA LEU A 41 13.383 9.175 6.163 1.00 0.00 C ATOM 597 C LEU A 41 12.942 10.610 5.893 1.00 0.00 C ATOM 598 O LEU A 41 12.498 11.315 6.799 1.00 0.00 O ATOM 599 CB LEU A 41 12.257 8.206 5.794 1.00 0.00 C ATOM 600 CG LEU A 41 12.679 6.764 5.513 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.462 5.854 5.453 1.00 0.00 C ATOM 602 CD2 LEU A 41 13.472 6.682 4.217 1.00 0.00 C ATOM 0 H LEU A 41 13.062 8.524 8.131 1.00 0.00 H new ATOM 0 HA LEU A 41 14.256 8.961 5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.530 8.199 6.606 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.746 8.593 4.912 1.00 0.00 H new ATOM 0 HG LEU A 41 13.319 6.428 6.329 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.782 4.832 5.252 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.934 5.889 6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.796 6.189 4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 41 13.764 5.648 4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 41 12.856 7.037 3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.365 7.302 4.297 1.00 0.00 H new ATOM 614 N LYS A 42 13.067 11.036 4.641 1.00 0.00 N ATOM 615 CA LYS A 42 12.679 12.386 4.250 1.00 0.00 C ATOM 616 C LYS A 42 11.584 12.352 3.189 1.00 0.00 C ATOM 617 O LYS A 42 11.672 11.604 2.216 1.00 0.00 O ATOM 618 CB LYS A 42 13.892 13.154 3.721 1.00 0.00 C ATOM 619 CG LYS A 42 15.058 13.197 4.694 1.00 0.00 C ATOM 620 CD LYS A 42 14.957 14.386 5.634 1.00 0.00 C ATOM 621 CE LYS A 42 15.844 14.208 6.856 1.00 0.00 C ATOM 622 NZ LYS A 42 15.343 14.986 8.023 1.00 0.00 N ATOM 0 H LYS A 42 13.434 10.466 3.879 1.00 0.00 H new ATOM 0 HA LYS A 42 12.290 12.895 5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.224 12.695 2.790 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.590 14.174 3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.083 12.275 5.274 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.994 13.250 4.139 1.00 0.00 H new ATOM 0 HD2 LYS A 42 15.243 15.295 5.105 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.922 14.514 5.950 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.893 13.151 7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 42 16.859 14.525 6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 15.975 14.838 8.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.320 15.997 7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.384 14.666 8.267 1.00 0.00 H new ATOM 636 N GLY A 43 10.552 13.167 3.383 1.00 0.00 N ATOM 637 CA GLY A 43 9.455 13.215 2.434 1.00 0.00 C ATOM 638 C GLY A 43 9.930 13.157 0.996 1.00 0.00 C ATOM 639 O GLY A 43 9.270 12.567 0.139 1.00 0.00 O ATOM 0 H GLY A 43 10.456 13.795 4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.778 12.382 2.624 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.885 14.131 2.588 1.00 0.00 H new ATOM 643 N LYS A 44 11.077 13.771 0.728 1.00 0.00 N ATOM 644 CA LYS A 44 11.641 13.787 -0.616 1.00 0.00 C ATOM 645 C LYS A 44 12.251 12.434 -0.968 1.00 0.00 C ATOM 646 O LYS A 44 12.136 11.966 -2.101 1.00 0.00 O ATOM 647 CB LYS A 44 12.703 14.883 -0.733 1.00 0.00 C ATOM 648 CG LYS A 44 13.870 14.702 0.223 1.00 0.00 C ATOM 649 CD LYS A 44 14.764 15.931 0.250 1.00 0.00 C ATOM 650 CE LYS A 44 16.061 15.660 0.998 1.00 0.00 C ATOM 651 NZ LYS A 44 15.900 15.832 2.468 1.00 0.00 N ATOM 0 H LYS A 44 11.635 14.265 1.425 1.00 0.00 H new ATOM 0 HA LYS A 44 10.834 13.995 -1.318 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.081 14.904 -1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.237 15.850 -0.546 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.492 14.503 1.226 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.455 13.832 -0.076 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.989 16.241 -0.770 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.235 16.757 0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.397 14.645 0.786 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.837 16.335 0.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.468 15.117 2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.221 16.782 2.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.898 15.718 2.723 1.00 0.00 H new ATOM 665 N ASP A 45 12.897 11.810 0.011 1.00 0.00 N ATOM 666 CA ASP A 45 13.522 10.508 -0.195 1.00 0.00 C ATOM 667 C ASP A 45 12.491 9.473 -0.633 1.00 0.00 C ATOM 668 O ASP A 45 12.759 8.644 -1.502 1.00 0.00 O ATOM 669 CB ASP A 45 14.217 10.044 1.086 1.00 0.00 C ATOM 670 CG ASP A 45 15.383 10.935 1.468 1.00 0.00 C ATOM 671 OD1 ASP A 45 15.998 11.529 0.558 1.00 0.00 O ATOM 672 OD2 ASP A 45 15.679 11.039 2.676 1.00 0.00 O ATOM 0 H ASP A 45 13.002 12.184 0.954 1.00 0.00 H new ATOM 0 HA ASP A 45 14.265 10.610 -0.986 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.494 10.027 1.902 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.573 9.022 0.953 1.00 0.00 H new ATOM 677 N VAL A 46 11.311 9.526 -0.023 1.00 0.00 N ATOM 678 CA VAL A 46 10.239 8.593 -0.349 1.00 0.00 C ATOM 679 C VAL A 46 9.320 9.166 -1.422 1.00 0.00 C ATOM 680 O VAL A 46 9.125 10.378 -1.505 1.00 0.00 O ATOM 681 CB VAL A 46 9.402 8.242 0.895 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.264 7.556 1.943 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.748 9.492 1.466 1.00 0.00 C ATOM 0 H VAL A 46 11.073 10.205 0.700 1.00 0.00 H new ATOM 0 HA VAL A 46 10.712 7.686 -0.726 1.00 0.00 H new ATOM 0 HB VAL A 46 8.614 7.550 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.655 7.316 2.815 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.681 6.639 1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.075 8.221 2.239 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.160 9.226 2.345 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.519 10.209 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.096 9.937 0.714 1.00 0.00 H new ATOM 693 N VAL A 47 8.756 8.285 -2.243 1.00 0.00 N ATOM 694 CA VAL A 47 7.855 8.702 -3.310 1.00 0.00 C ATOM 695 C VAL A 47 6.508 7.998 -3.199 1.00 0.00 C ATOM 696 O VAL A 47 6.351 6.860 -3.641 1.00 0.00 O ATOM 697 CB VAL A 47 8.459 8.415 -4.698 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.411 8.600 -5.785 1.00 0.00 C ATOM 699 CG2 VAL A 47 9.664 9.309 -4.950 1.00 0.00 C ATOM 0 H VAL A 47 8.908 7.278 -2.189 1.00 0.00 H new ATOM 0 HA VAL A 47 7.710 9.777 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 47 8.794 7.378 -4.722 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.856 8.393 -6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.582 7.914 -5.612 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.043 9.626 -5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.078 9.093 -5.935 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.357 10.354 -4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.422 9.122 -4.189 1.00 0.00 H new ATOM 709 N VAL A 48 5.535 8.683 -2.605 1.00 0.00 N ATOM 710 CA VAL A 48 4.199 8.124 -2.437 1.00 0.00 C ATOM 711 C VAL A 48 3.168 8.916 -3.233 1.00 0.00 C ATOM 712 O VAL A 48 2.708 9.971 -2.795 1.00 0.00 O ATOM 713 CB VAL A 48 3.782 8.104 -0.954 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.295 7.814 -0.822 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.604 7.081 -0.184 1.00 0.00 C ATOM 0 H VAL A 48 5.648 9.626 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 48 4.234 7.101 -2.811 1.00 0.00 H new ATOM 0 HB VAL A 48 3.975 9.088 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.018 7.804 0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.726 8.587 -1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.073 6.843 -1.265 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.297 7.080 0.862 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.444 6.091 -0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.661 7.339 -0.251 1.00 0.00 H new ATOM 725 N ASP A 49 2.808 8.400 -4.403 1.00 0.00 N ATOM 726 CA ASP A 49 1.829 9.059 -5.260 1.00 0.00 C ATOM 727 C ASP A 49 0.418 8.569 -4.949 1.00 0.00 C ATOM 728 O ASP A 49 0.111 7.388 -5.113 1.00 0.00 O ATOM 729 CB ASP A 49 2.158 8.806 -6.733 1.00 0.00 C ATOM 730 CG ASP A 49 1.520 9.830 -7.652 1.00 0.00 C ATOM 731 OD1 ASP A 49 0.325 9.671 -7.978 1.00 0.00 O ATOM 732 OD2 ASP A 49 2.216 10.789 -8.044 1.00 0.00 O ATOM 0 H ASP A 49 3.179 7.528 -4.780 1.00 0.00 H new ATOM 0 HA ASP A 49 1.873 10.130 -5.065 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.239 8.823 -6.869 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.818 7.809 -7.012 1.00 0.00 H new ATOM 737 N ILE A 50 -0.434 9.483 -4.500 1.00 0.00 N ATOM 738 CA ILE A 50 -1.812 9.144 -4.167 1.00 0.00 C ATOM 739 C ILE A 50 -2.782 9.701 -5.203 1.00 0.00 C ATOM 740 O ILE A 50 -2.909 10.915 -5.358 1.00 0.00 O ATOM 741 CB ILE A 50 -2.203 9.678 -2.776 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.248 9.135 -1.710 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.640 9.302 -2.448 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.389 9.818 -0.368 1.00 0.00 C ATOM 0 H ILE A 50 -0.195 10.464 -4.358 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.876 8.056 -4.161 1.00 0.00 H new ATOM 0 HB ILE A 50 -2.126 10.765 -2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.425 8.067 -1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.222 9.249 -2.061 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.901 9.687 -1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.308 9.733 -3.194 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.742 8.217 -2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.682 9.382 0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.183 10.883 -0.478 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.404 9.682 0.005 1.00 0.00 H new ATOM 756 N GLN A 51 -3.464 8.805 -5.909 1.00 0.00 N ATOM 757 CA GLN A 51 -4.423 9.207 -6.930 1.00 0.00 C ATOM 758 C GLN A 51 -5.844 8.830 -6.522 1.00 0.00 C ATOM 759 O GLN A 51 -6.068 8.307 -5.430 1.00 0.00 O ATOM 760 CB GLN A 51 -4.076 8.557 -8.271 1.00 0.00 C ATOM 761 CG GLN A 51 -3.126 9.386 -9.121 1.00 0.00 C ATOM 762 CD GLN A 51 -3.853 10.370 -10.017 1.00 0.00 C ATOM 763 OE1 GLN A 51 -4.641 9.978 -10.878 1.00 0.00 O ATOM 764 NE2 GLN A 51 -3.591 11.657 -9.818 1.00 0.00 N ATOM 0 H GLN A 51 -3.370 7.796 -5.792 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.370 10.291 -7.035 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.628 7.581 -8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.995 8.385 -8.831 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -2.442 9.930 -8.469 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.519 8.721 -9.735 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.931 11.937 -9.093 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.050 12.365 -10.390 1.00 0.00 H new ATOM 773 N ARG A 52 -6.799 9.099 -7.406 1.00 0.00 N ATOM 774 CA ARG A 52 -8.198 8.788 -7.136 1.00 0.00 C ATOM 775 C ARG A 52 -8.401 7.284 -6.980 1.00 0.00 C ATOM 776 O ARG A 52 -8.909 6.819 -5.960 1.00 0.00 O ATOM 777 CB ARG A 52 -9.086 9.320 -8.263 1.00 0.00 C ATOM 778 CG ARG A 52 -10.548 9.463 -7.870 1.00 0.00 C ATOM 779 CD ARG A 52 -10.759 10.641 -6.932 1.00 0.00 C ATOM 780 NE ARG A 52 -10.749 11.916 -7.643 1.00 0.00 N ATOM 781 CZ ARG A 52 -11.782 12.377 -8.341 1.00 0.00 C ATOM 782 NH1 ARG A 52 -12.901 11.670 -8.420 1.00 0.00 N ATOM 783 NH2 ARG A 52 -11.696 13.546 -8.961 1.00 0.00 N ATOM 0 H ARG A 52 -6.630 9.531 -8.314 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.479 9.273 -6.201 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.708 10.291 -8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -9.012 8.650 -9.119 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.155 9.596 -8.765 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.888 8.547 -7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -11.709 10.524 -6.411 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.978 10.644 -6.172 1.00 0.00 H new ATOM 0 HE ARG A 52 -9.903 12.484 -7.602 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.970 10.770 -7.945 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.692 12.026 -8.956 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.837 14.092 -8.903 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.489 13.899 -9.496 1.00 0.00 H new ATOM 797 N ARG A 53 -8.002 6.530 -7.999 1.00 0.00 N ATOM 798 CA ARG A 53 -8.142 5.079 -7.976 1.00 0.00 C ATOM 799 C ARG A 53 -6.793 4.399 -8.195 1.00 0.00 C ATOM 800 O ARG A 53 -6.711 3.354 -8.841 1.00 0.00 O ATOM 801 CB ARG A 53 -9.134 4.623 -9.047 1.00 0.00 C ATOM 802 CG ARG A 53 -9.893 3.359 -8.677 1.00 0.00 C ATOM 803 CD ARG A 53 -11.101 3.151 -9.576 1.00 0.00 C ATOM 804 NE ARG A 53 -11.868 4.381 -9.756 1.00 0.00 N ATOM 805 CZ ARG A 53 -12.739 4.566 -10.742 1.00 0.00 C ATOM 806 NH1 ARG A 53 -12.953 3.606 -11.631 1.00 0.00 N ATOM 807 NH2 ARG A 53 -13.398 5.714 -10.839 1.00 0.00 N ATOM 0 H ARG A 53 -7.579 6.900 -8.851 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.520 4.792 -6.995 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.849 5.425 -9.233 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.596 4.454 -9.980 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.228 2.499 -8.754 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.217 3.419 -7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.771 2.784 -10.548 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.744 2.382 -9.147 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.727 5.139 -9.088 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.448 2.723 -11.559 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.622 3.751 -12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.236 6.454 -10.156 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.067 5.856 -11.596 1.00 0.00 H new ATOM 821 N HIS A 54 -5.739 5.000 -7.652 1.00 0.00 N ATOM 822 CA HIS A 54 -4.394 4.452 -7.788 1.00 0.00 C ATOM 823 C HIS A 54 -3.473 4.997 -6.700 1.00 0.00 C ATOM 824 O HIS A 54 -3.569 6.163 -6.317 1.00 0.00 O ATOM 825 CB HIS A 54 -3.823 4.782 -9.168 1.00 0.00 C ATOM 826 CG HIS A 54 -2.495 4.144 -9.435 1.00 0.00 C ATOM 827 ND1 HIS A 54 -1.421 4.832 -9.959 1.00 0.00 N ATOM 828 CD2 HIS A 54 -2.070 2.872 -9.246 1.00 0.00 C ATOM 829 CE1 HIS A 54 -0.393 4.011 -10.082 1.00 0.00 C ATOM 830 NE2 HIS A 54 -0.760 2.816 -9.656 1.00 0.00 N ATOM 0 H HIS A 54 -5.790 5.865 -7.114 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.457 3.369 -7.678 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.531 4.460 -9.932 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.723 5.863 -9.261 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -2.652 2.054 -8.847 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.582 4.273 -10.466 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.167 1.986 -9.635 1.00 0.00 H new ATOM 839 N LEU A 55 -2.582 4.145 -6.206 1.00 0.00 N ATOM 840 CA LEU A 55 -1.644 4.540 -5.161 1.00 0.00 C ATOM 841 C LEU A 55 -0.295 3.853 -5.351 1.00 0.00 C ATOM 842 O LEU A 55 -0.228 2.705 -5.791 1.00 0.00 O ATOM 843 CB LEU A 55 -2.212 4.199 -3.782 1.00 0.00 C ATOM 844 CG LEU A 55 -1.204 4.149 -2.634 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.689 5.544 -2.314 1.00 0.00 C ATOM 846 CD2 LEU A 55 -1.830 3.514 -1.401 1.00 0.00 C ATOM 0 H LEU A 55 -2.489 3.176 -6.512 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.495 5.618 -5.230 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.978 4.934 -3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.709 3.231 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.359 3.535 -2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.027 5.488 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.201 5.963 -3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.524 6.182 -2.024 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.098 3.487 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.693 4.101 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.148 2.498 -1.637 1.00 0.00 H new ATOM 858 N ARG A 56 0.777 4.563 -5.016 1.00 0.00 N ATOM 859 CA ARG A 56 2.124 4.022 -5.149 1.00 0.00 C ATOM 860 C ARG A 56 2.987 4.410 -3.952 1.00 0.00 C ATOM 861 O ARG A 56 2.841 5.498 -3.395 1.00 0.00 O ATOM 862 CB ARG A 56 2.772 4.522 -6.442 1.00 0.00 C ATOM 863 CG ARG A 56 3.978 3.704 -6.875 1.00 0.00 C ATOM 864 CD ARG A 56 4.698 4.350 -8.048 1.00 0.00 C ATOM 865 NE ARG A 56 5.349 3.362 -8.903 1.00 0.00 N ATOM 866 CZ ARG A 56 5.698 3.596 -10.163 1.00 0.00 C ATOM 867 NH1 ARG A 56 5.461 4.780 -10.711 1.00 0.00 N ATOM 868 NH2 ARG A 56 6.287 2.646 -10.877 1.00 0.00 N ATOM 0 H ARG A 56 0.739 5.514 -4.650 1.00 0.00 H new ATOM 0 HA ARG A 56 2.050 2.935 -5.184 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.029 4.508 -7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.077 5.560 -6.308 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.667 3.599 -6.037 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.657 2.700 -7.152 1.00 0.00 H new ATOM 0 HD2 ARG A 56 3.985 4.926 -8.638 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.443 5.052 -7.674 1.00 0.00 H new ATOM 0 HE ARG A 56 5.547 2.441 -8.511 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.010 5.514 -10.165 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.730 4.957 -11.679 1.00 0.00 H new ATOM 0 HH21 ARG A 56 6.472 1.734 -10.459 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.554 2.827 -11.845 1.00 0.00 H new ATOM 882 N VAL A 57 3.887 3.513 -3.562 1.00 0.00 N ATOM 883 CA VAL A 57 4.774 3.761 -2.432 1.00 0.00 C ATOM 884 C VAL A 57 6.138 3.117 -2.652 1.00 0.00 C ATOM 885 O VAL A 57 6.234 2.002 -3.163 1.00 0.00 O ATOM 886 CB VAL A 57 4.172 3.228 -1.118 1.00 0.00 C ATOM 887 CG1 VAL A 57 5.123 3.475 0.044 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.818 3.869 -0.855 1.00 0.00 C ATOM 0 H VAL A 57 4.021 2.608 -4.012 1.00 0.00 H new ATOM 0 HA VAL A 57 4.894 4.842 -2.355 1.00 0.00 H new ATOM 0 HB VAL A 57 4.027 2.152 -1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.681 3.092 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.068 2.965 -0.144 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.302 4.545 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.407 3.481 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.936 4.950 -0.778 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.140 3.636 -1.676 1.00 0.00 H new ATOM 898 N GLY A 58 7.192 3.827 -2.261 1.00 0.00 N ATOM 899 CA GLY A 58 8.538 3.308 -2.423 1.00 0.00 C ATOM 900 C GLY A 58 9.571 4.408 -2.559 1.00 0.00 C ATOM 901 O GLY A 58 9.226 5.572 -2.766 1.00 0.00 O ATOM 0 H GLY A 58 7.138 4.752 -1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.788 2.683 -1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.574 2.669 -3.305 1.00 0.00 H new ATOM 905 N LEU A 59 10.842 4.041 -2.441 1.00 0.00 N ATOM 906 CA LEU A 59 11.931 5.006 -2.550 1.00 0.00 C ATOM 907 C LEU A 59 12.164 5.401 -4.005 1.00 0.00 C ATOM 908 O LEU A 59 12.193 4.550 -4.894 1.00 0.00 O ATOM 909 CB LEU A 59 13.215 4.427 -1.955 1.00 0.00 C ATOM 910 CG LEU A 59 13.345 4.508 -0.433 1.00 0.00 C ATOM 911 CD1 LEU A 59 13.390 5.958 0.022 1.00 0.00 C ATOM 912 CD2 LEU A 59 12.197 3.771 0.240 1.00 0.00 C ATOM 0 H LEU A 59 11.144 3.082 -2.270 1.00 0.00 H new ATOM 0 HA LEU A 59 11.650 5.898 -1.990 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.289 3.381 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 59 14.064 4.945 -2.400 1.00 0.00 H new ATOM 0 HG LEU A 59 14.279 4.028 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 59 13.483 5.996 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 59 14.246 6.456 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 59 12.473 6.463 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.306 3.839 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 59 11.251 4.222 -0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 59 12.211 2.723 -0.061 1.00 0.00 H new ATOM 924 N LYS A 60 12.334 6.698 -4.241 1.00 0.00 N ATOM 925 CA LYS A 60 12.569 7.206 -5.587 1.00 0.00 C ATOM 926 C LYS A 60 13.388 6.215 -6.408 1.00 0.00 C ATOM 927 O LYS A 60 12.863 5.553 -7.302 1.00 0.00 O ATOM 928 CB LYS A 60 13.292 8.554 -5.526 1.00 0.00 C ATOM 929 CG LYS A 60 12.943 9.484 -6.674 1.00 0.00 C ATOM 930 CD LYS A 60 13.484 8.967 -7.996 1.00 0.00 C ATOM 931 CE LYS A 60 13.185 9.928 -9.136 1.00 0.00 C ATOM 932 NZ LYS A 60 14.142 11.069 -9.165 1.00 0.00 N ATOM 0 H LYS A 60 12.313 7.416 -3.517 1.00 0.00 H new ATOM 0 HA LYS A 60 11.602 7.340 -6.072 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.048 9.045 -4.584 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.368 8.380 -5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 60 11.860 9.591 -6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.350 10.476 -6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 60 14.561 8.819 -7.917 1.00 0.00 H new ATOM 0 HD3 LYS A 60 13.044 7.994 -8.214 1.00 0.00 H new ATOM 0 HE2 LYS A 60 13.230 9.392 -10.084 1.00 0.00 H new ATOM 0 HE3 LYS A 60 12.169 10.309 -9.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 13.905 11.701 -9.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 14.081 11.596 -8.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.109 10.708 -9.289 1.00 0.00 H new ATOM 946 N GLY A 61 14.677 6.118 -6.097 1.00 0.00 N ATOM 947 CA GLY A 61 15.546 5.204 -6.815 1.00 0.00 C ATOM 948 C GLY A 61 15.425 3.777 -6.318 1.00 0.00 C ATOM 949 O GLY A 61 16.413 3.171 -5.905 1.00 0.00 O ATOM 0 H GLY A 61 15.135 6.656 -5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.304 5.237 -7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.580 5.535 -6.713 1.00 0.00 H new ATOM 953 N GLN A 62 14.209 3.241 -6.356 1.00 0.00 N ATOM 954 CA GLN A 62 13.962 1.877 -5.903 1.00 0.00 C ATOM 955 C GLN A 62 12.569 1.411 -6.312 1.00 0.00 C ATOM 956 O GLN A 62 11.717 2.203 -6.718 1.00 0.00 O ATOM 957 CB GLN A 62 14.118 1.785 -4.384 1.00 0.00 C ATOM 958 CG GLN A 62 15.462 1.229 -3.943 1.00 0.00 C ATOM 959 CD GLN A 62 15.470 0.808 -2.486 1.00 0.00 C ATOM 960 OE1 GLN A 62 14.526 0.181 -2.005 1.00 0.00 O ATOM 961 NE2 GLN A 62 16.538 1.150 -1.776 1.00 0.00 N ATOM 0 H GLN A 62 13.381 3.730 -6.695 1.00 0.00 H new ATOM 0 HA GLN A 62 14.697 1.226 -6.377 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.986 2.777 -3.953 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.324 1.155 -3.983 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.719 0.372 -4.566 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.233 1.982 -4.104 1.00 0.00 H new ATOM 0 HE21 GLN A 62 17.298 1.670 -2.216 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.599 0.893 -0.791 1.00 0.00 H new ATOM 970 N PRO A 63 12.329 0.096 -6.205 1.00 0.00 N ATOM 971 CA PRO A 63 11.039 -0.505 -6.559 1.00 0.00 C ATOM 972 C PRO A 63 9.934 -0.124 -5.581 1.00 0.00 C ATOM 973 O PRO A 63 10.124 -0.116 -4.364 1.00 0.00 O ATOM 974 CB PRO A 63 11.318 -2.009 -6.492 1.00 0.00 C ATOM 975 CG PRO A 63 12.459 -2.140 -5.543 1.00 0.00 C ATOM 976 CD PRO A 63 13.297 -0.906 -5.730 1.00 0.00 C ATOM 0 HA PRO A 63 10.685 -0.166 -7.533 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.445 -2.558 -6.140 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.572 -2.409 -7.474 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.105 -2.219 -4.515 1.00 0.00 H new ATOM 0 HG3 PRO A 63 13.038 -3.040 -5.751 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.770 -0.597 -4.798 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.095 -1.068 -6.454 1.00 0.00 H new ATOM 984 N PRO A 64 8.750 0.200 -6.121 1.00 0.00 N ATOM 985 CA PRO A 64 7.590 0.587 -5.312 1.00 0.00 C ATOM 986 C PRO A 64 7.019 -0.584 -4.520 1.00 0.00 C ATOM 987 O PRO A 64 6.446 -1.512 -5.091 1.00 0.00 O ATOM 988 CB PRO A 64 6.578 1.073 -6.353 1.00 0.00 C ATOM 989 CG PRO A 64 6.956 0.366 -7.608 1.00 0.00 C ATOM 990 CD PRO A 64 8.452 0.213 -7.563 1.00 0.00 C ATOM 0 HA PRO A 64 7.847 1.337 -4.564 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.557 0.832 -6.055 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.627 2.155 -6.478 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.466 -0.606 -7.671 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.648 0.936 -8.485 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.777 -0.707 -8.049 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.956 1.036 -8.070 1.00 0.00 H new ATOM 998 N VAL A 65 7.178 -0.534 -3.201 1.00 0.00 N ATOM 999 CA VAL A 65 6.676 -1.590 -2.330 1.00 0.00 C ATOM 1000 C VAL A 65 5.182 -1.810 -2.538 1.00 0.00 C ATOM 1001 O VAL A 65 4.676 -2.918 -2.358 1.00 0.00 O ATOM 1002 CB VAL A 65 6.935 -1.265 -0.847 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.060 -0.106 -0.394 1.00 0.00 C ATOM 1004 CG2 VAL A 65 6.697 -2.494 0.017 1.00 0.00 C ATOM 0 H VAL A 65 7.650 0.227 -2.712 1.00 0.00 H new ATOM 0 HA VAL A 65 7.214 -2.500 -2.594 1.00 0.00 H new ATOM 0 HB VAL A 65 7.977 -0.967 -0.735 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.257 0.109 0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.285 0.776 -0.994 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.010 -0.372 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.885 -2.246 1.062 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.665 -2.825 -0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.371 -3.293 -0.293 1.00 0.00 H new ATOM 1014 N VAL A 66 4.480 -0.747 -2.918 1.00 0.00 N ATOM 1015 CA VAL A 66 3.043 -0.824 -3.151 1.00 0.00 C ATOM 1016 C VAL A 66 2.680 -0.274 -4.526 1.00 0.00 C ATOM 1017 O VAL A 66 2.787 0.927 -4.774 1.00 0.00 O ATOM 1018 CB VAL A 66 2.257 -0.049 -2.077 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.760 -0.201 -2.297 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.651 -0.522 -0.685 1.00 0.00 C ATOM 0 H VAL A 66 4.883 0.177 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 66 2.770 -1.878 -3.100 1.00 0.00 H new ATOM 0 HB VAL A 66 2.506 1.009 -2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.221 0.353 -1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.495 0.190 -3.279 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.489 -1.255 -2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.086 0.036 0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.432 -1.585 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.717 -0.356 -0.533 1.00 0.00 H new ATOM 1030 N ASP A 67 2.249 -1.161 -5.417 1.00 0.00 N ATOM 1031 CA ASP A 67 1.868 -0.765 -6.768 1.00 0.00 C ATOM 1032 C ASP A 67 0.685 -1.590 -7.262 1.00 0.00 C ATOM 1033 O ASP A 67 0.819 -2.781 -7.541 1.00 0.00 O ATOM 1034 CB ASP A 67 3.052 -0.925 -7.722 1.00 0.00 C ATOM 1035 CG ASP A 67 3.350 -2.377 -8.037 1.00 0.00 C ATOM 1036 OD1 ASP A 67 4.091 -3.014 -7.259 1.00 0.00 O ATOM 1037 OD2 ASP A 67 2.840 -2.878 -9.062 1.00 0.00 O ATOM 0 H ASP A 67 2.155 -2.159 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 67 1.571 0.284 -6.743 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.843 -0.391 -8.649 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.935 -0.463 -7.281 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.475 -0.949 -7.368 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.666 -1.639 -7.828 1.00 0.00 C ATOM 1044 C GLY A 68 -2.901 -0.762 -7.777 1.00 0.00 C ATOM 1045 O GLY A 68 -3.001 0.131 -6.937 1.00 0.00 O ATOM 0 H GLY A 68 -0.611 0.037 -7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.511 -1.983 -8.851 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.828 -2.525 -7.215 1.00 0.00 H new ATOM 1049 N GLU A 69 -3.842 -1.016 -8.681 1.00 0.00 N ATOM 1050 CA GLU A 69 -5.076 -0.239 -8.737 1.00 0.00 C ATOM 1051 C GLU A 69 -5.870 -0.386 -7.442 1.00 0.00 C ATOM 1052 O GLU A 69 -6.071 -1.496 -6.946 1.00 0.00 O ATOM 1053 CB GLU A 69 -5.930 -0.683 -9.926 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.236 0.083 -10.057 1.00 0.00 C ATOM 1055 CD GLU A 69 -7.902 -0.124 -11.403 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -8.521 -1.190 -11.602 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -7.803 0.781 -12.258 1.00 0.00 O ATOM 0 H GLU A 69 -3.774 -1.752 -9.384 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.810 0.811 -8.862 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.353 -0.561 -10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.150 -1.746 -9.828 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.918 -0.231 -9.267 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.045 1.146 -9.910 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.319 0.740 -6.900 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.091 0.738 -5.662 1.00 0.00 C ATOM 1066 C LEU A 70 -8.434 0.043 -5.859 1.00 0.00 C ATOM 1067 O LEU A 70 -9.014 0.086 -6.945 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.313 2.171 -5.174 1.00 0.00 C ATOM 1069 CG LEU A 70 -6.092 2.874 -4.579 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.364 4.360 -4.406 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -5.708 2.241 -3.249 1.00 0.00 C ATOM 0 H LEU A 70 -6.162 1.666 -7.298 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.525 0.188 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.678 2.766 -6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.103 2.160 -4.423 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.256 2.757 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.484 4.844 -3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.590 4.804 -5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.213 4.499 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.837 2.754 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.541 2.327 -2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.470 1.188 -3.402 1.00 0.00 H new ATOM 1083 N TYR A 71 -8.925 -0.596 -4.803 1.00 0.00 N ATOM 1084 CA TYR A 71 -10.200 -1.301 -4.860 1.00 0.00 C ATOM 1085 C TYR A 71 -11.318 -0.369 -5.316 1.00 0.00 C ATOM 1086 O TYR A 71 -12.072 -0.689 -6.233 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.541 -1.893 -3.491 1.00 0.00 C ATOM 1088 CG TYR A 71 -11.947 -2.440 -3.401 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.282 -3.650 -3.996 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -12.941 -1.747 -2.721 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -13.566 -4.154 -3.917 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -14.228 -2.244 -2.636 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.535 -3.447 -3.236 1.00 0.00 C ATOM 1094 OH TYR A 71 -15.815 -3.945 -3.154 1.00 0.00 O ATOM 0 H TYR A 71 -8.459 -0.640 -3.897 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.107 -2.109 -5.585 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.834 -2.691 -3.264 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.410 -1.124 -2.729 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.526 -4.206 -4.530 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.704 -0.804 -2.251 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -13.810 -5.096 -4.386 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.989 -1.693 -2.103 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.374 -3.326 -2.639 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.417 0.787 -4.668 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.442 1.768 -5.006 1.00 0.00 C ATOM 1106 C ASN A 72 -11.862 3.179 -5.019 1.00 0.00 C ATOM 1107 O ASN A 72 -10.669 3.372 -4.791 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.601 1.689 -4.010 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.924 2.094 -4.630 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -15.301 3.266 -4.607 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -15.638 1.122 -5.188 1.00 0.00 N ATOM 0 H ASN A 72 -10.800 1.068 -3.906 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.814 1.539 -6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.679 0.671 -3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.389 2.335 -3.158 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.537 1.334 -5.620 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.287 0.164 -5.184 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.717 4.162 -5.287 1.00 0.00 N ATOM 1119 CA GLU A 73 -12.289 5.555 -5.329 1.00 0.00 C ATOM 1120 C GLU A 73 -11.993 6.076 -3.926 1.00 0.00 C ATOM 1121 O GLU A 73 -12.703 5.759 -2.971 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.362 6.421 -5.991 1.00 0.00 C ATOM 1123 CG GLU A 73 -13.254 6.472 -7.506 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.783 7.770 -8.085 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -14.910 8.166 -7.720 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -13.072 8.388 -8.904 1.00 0.00 O ATOM 0 H GLU A 73 -13.709 4.019 -5.478 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.374 5.610 -5.918 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.345 6.038 -5.718 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.294 7.435 -5.596 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.211 6.347 -7.797 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.806 5.636 -7.934 1.00 0.00 H new ATOM 1133 N VAL A 74 -10.939 6.878 -3.808 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.549 7.444 -2.523 1.00 0.00 C ATOM 1135 C VAL A 74 -10.233 8.930 -2.650 1.00 0.00 C ATOM 1136 O VAL A 74 -9.348 9.326 -3.409 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.322 6.718 -1.939 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.589 5.225 -1.825 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -8.091 6.984 -2.791 1.00 0.00 C ATOM 0 H VAL A 74 -10.340 7.150 -4.588 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.395 7.312 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.134 7.106 -0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.711 4.729 -1.411 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.444 5.057 -1.170 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.804 4.817 -2.813 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.234 6.464 -2.364 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.266 6.624 -3.805 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.890 8.055 -2.816 1.00 0.00 H new ATOM 1149 N LYS A 75 -10.962 9.750 -1.901 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.760 11.194 -1.927 1.00 0.00 C ATOM 1151 C LYS A 75 -9.274 11.535 -1.943 1.00 0.00 C ATOM 1152 O LYS A 75 -8.639 11.639 -0.893 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.431 11.846 -0.715 1.00 0.00 C ATOM 1154 CG LYS A 75 -11.919 13.260 -0.978 1.00 0.00 C ATOM 1155 CD LYS A 75 -13.141 13.593 -0.139 1.00 0.00 C ATOM 1156 CE LYS A 75 -13.841 14.845 -0.645 1.00 0.00 C ATOM 1157 NZ LYS A 75 -14.882 14.525 -1.661 1.00 0.00 N ATOM 0 H LYS A 75 -11.699 9.439 -1.268 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.214 11.583 -2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.275 11.231 -0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.725 11.863 0.115 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.121 13.968 -0.757 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.161 13.372 -2.035 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.836 12.754 -0.158 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.842 13.736 0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -14.300 15.368 0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.105 15.522 -1.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -15.336 15.404 -1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.440 14.048 -2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.598 13.899 -1.239 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.724 11.710 -3.141 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.313 12.042 -3.293 1.00 0.00 C ATOM 1173 C VAL A 76 -7.022 13.450 -2.787 1.00 0.00 C ATOM 1174 O VAL A 76 -6.000 13.691 -2.147 1.00 0.00 O ATOM 1175 CB VAL A 76 -6.866 11.933 -4.763 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.742 12.802 -5.653 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.401 12.318 -4.904 1.00 0.00 C ATOM 0 H VAL A 76 -9.235 11.627 -4.020 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.752 11.322 -2.697 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.978 10.897 -5.083 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.411 12.712 -6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.779 12.475 -5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.664 13.842 -5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.102 12.235 -5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.261 13.345 -4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.789 11.650 -4.298 1.00 0.00 H new ATOM 1187 N GLU A 77 -7.929 14.377 -3.080 1.00 0.00 N ATOM 1188 CA GLU A 77 -7.769 15.763 -2.655 1.00 0.00 C ATOM 1189 C GLU A 77 -7.643 15.855 -1.137 1.00 0.00 C ATOM 1190 O GLU A 77 -7.121 16.835 -0.607 1.00 0.00 O ATOM 1191 CB GLU A 77 -8.954 16.606 -3.132 1.00 0.00 C ATOM 1192 CG GLU A 77 -9.168 16.558 -4.636 1.00 0.00 C ATOM 1193 CD GLU A 77 -8.272 17.526 -5.384 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -8.100 18.667 -4.906 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -7.743 17.141 -6.448 1.00 0.00 O ATOM 0 H GLU A 77 -8.781 14.194 -3.609 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.854 16.150 -3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -9.859 16.260 -2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.798 17.641 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -8.981 15.545 -4.994 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.210 16.787 -4.858 1.00 0.00 H new ATOM 1202 N GLU A 78 -8.127 14.828 -0.446 1.00 0.00 N ATOM 1203 CA GLU A 78 -8.070 14.794 1.011 1.00 0.00 C ATOM 1204 C GLU A 78 -7.009 13.809 1.491 1.00 0.00 C ATOM 1205 O GLU A 78 -6.370 14.021 2.522 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.435 14.413 1.588 1.00 0.00 C ATOM 1207 CG GLU A 78 -10.343 15.604 1.841 1.00 0.00 C ATOM 1208 CD GLU A 78 -9.964 16.372 3.093 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -9.466 15.739 4.048 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -10.165 17.604 3.118 1.00 0.00 O ATOM 0 H GLU A 78 -8.563 14.009 -0.871 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.801 15.790 1.362 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.932 13.728 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.287 13.875 2.524 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.304 16.274 0.982 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.373 15.258 1.929 1.00 0.00 H new ATOM 1217 N SER A 79 -6.827 12.729 0.737 1.00 0.00 N ATOM 1218 CA SER A 79 -5.847 11.708 1.087 1.00 0.00 C ATOM 1219 C SER A 79 -4.502 12.341 1.431 1.00 0.00 C ATOM 1220 O SER A 79 -4.193 13.447 0.989 1.00 0.00 O ATOM 1221 CB SER A 79 -5.677 10.717 -0.067 1.00 0.00 C ATOM 1222 OG SER A 79 -6.724 9.763 -0.077 1.00 0.00 O ATOM 0 H SER A 79 -7.346 12.539 -0.120 1.00 0.00 H new ATOM 0 HA SER A 79 -6.213 11.174 1.964 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.663 11.256 -1.014 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.718 10.208 0.025 1.00 0.00 H new ATOM 0 HG SER A 79 -7.563 10.201 -0.331 1.00 0.00 H new ATOM 1228 N SER A 80 -3.706 11.630 2.223 1.00 0.00 N ATOM 1229 CA SER A 80 -2.395 12.123 2.630 1.00 0.00 C ATOM 1230 C SER A 80 -1.638 11.061 3.421 1.00 0.00 C ATOM 1231 O SER A 80 -2.241 10.216 4.083 1.00 0.00 O ATOM 1232 CB SER A 80 -2.543 13.392 3.471 1.00 0.00 C ATOM 1233 OG SER A 80 -2.573 14.547 2.650 1.00 0.00 O ATOM 0 H SER A 80 -3.946 10.711 2.596 1.00 0.00 H new ATOM 0 HA SER A 80 -1.826 12.356 1.730 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.458 13.337 4.060 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.714 13.464 4.175 1.00 0.00 H new ATOM 0 HG SER A 80 -3.317 14.479 2.016 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.313 11.111 3.348 1.00 0.00 N ATOM 1240 CA TRP A 81 0.529 10.153 4.057 1.00 0.00 C ATOM 1241 C TRP A 81 1.516 10.869 4.972 1.00 0.00 C ATOM 1242 O TRP A 81 1.640 12.094 4.931 1.00 0.00 O ATOM 1243 CB TRP A 81 1.284 9.272 3.061 1.00 0.00 C ATOM 1244 CG TRP A 81 2.160 10.049 2.126 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.779 10.665 0.968 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.564 10.290 2.268 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.862 11.275 0.382 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.969 11.060 1.160 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.519 9.931 3.223 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.286 11.476 0.984 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.825 10.344 3.047 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.199 11.111 1.935 1.00 0.00 C ATOM 0 H TRP A 81 0.202 11.804 2.805 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.116 9.524 4.671 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.896 8.557 3.611 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.565 8.695 2.479 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.775 10.672 0.571 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.845 11.802 -0.491 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.241 9.341 4.084 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.576 12.066 0.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.571 10.071 3.779 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.228 11.420 1.827 1.00 0.00 H new ATOM 1263 N LEU A 82 2.217 10.099 5.797 1.00 0.00 N ATOM 1264 CA LEU A 82 3.195 10.661 6.723 1.00 0.00 C ATOM 1265 C LEU A 82 4.164 9.588 7.207 1.00 0.00 C ATOM 1266 O LEU A 82 3.783 8.432 7.396 1.00 0.00 O ATOM 1267 CB LEU A 82 2.486 11.301 7.917 1.00 0.00 C ATOM 1268 CG LEU A 82 1.961 10.337 8.982 1.00 0.00 C ATOM 1269 CD1 LEU A 82 3.028 10.068 10.031 1.00 0.00 C ATOM 1270 CD2 LEU A 82 0.701 10.894 9.630 1.00 0.00 C ATOM 0 H LEU A 82 2.127 9.084 5.844 1.00 0.00 H new ATOM 0 HA LEU A 82 3.764 11.426 6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.177 11.996 8.394 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.648 11.890 7.544 1.00 0.00 H new ATOM 0 HG LEU A 82 1.710 9.393 8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.636 9.380 10.780 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.903 9.626 9.555 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.311 11.005 10.511 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.341 10.195 10.385 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.926 11.852 10.099 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -0.068 11.034 8.870 1.00 0.00 H new ATOM 1282 N ILE A 83 5.418 9.978 7.408 1.00 0.00 N ATOM 1283 CA ILE A 83 6.441 9.050 7.875 1.00 0.00 C ATOM 1284 C ILE A 83 6.440 8.950 9.396 1.00 0.00 C ATOM 1285 O ILE A 83 6.761 9.913 10.092 1.00 0.00 O ATOM 1286 CB ILE A 83 7.844 9.474 7.401 1.00 0.00 C ATOM 1287 CG1 ILE A 83 7.800 9.917 5.937 1.00 0.00 C ATOM 1288 CG2 ILE A 83 8.833 8.333 7.585 1.00 0.00 C ATOM 1289 CD1 ILE A 83 9.038 10.663 5.493 1.00 0.00 C ATOM 0 H ILE A 83 5.750 10.930 7.255 1.00 0.00 H new ATOM 0 HA ILE A 83 6.201 8.076 7.449 1.00 0.00 H new ATOM 0 HB ILE A 83 8.176 10.318 8.006 1.00 0.00 H new ATOM 0 HG12 ILE A 83 7.668 9.039 5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 83 6.928 10.553 5.785 1.00 0.00 H new ATOM 0 HG21 ILE A 83 9.820 8.648 7.245 1.00 0.00 H new ATOM 0 HG22 ILE A 83 8.882 8.060 8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 83 8.507 7.471 7.002 1.00 0.00 H new ATOM 0 HD11 ILE A 83 8.936 10.946 4.445 1.00 0.00 H new ATOM 0 HD12 ILE A 83 9.160 11.560 6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 83 9.912 10.022 5.613 1.00 0.00 H new ATOM 1301 N GLU A 84 6.078 7.777 9.906 1.00 0.00 N ATOM 1302 CA GLU A 84 6.036 7.550 11.346 1.00 0.00 C ATOM 1303 C GLU A 84 7.365 6.995 11.848 1.00 0.00 C ATOM 1304 O GLU A 84 7.926 6.070 11.260 1.00 0.00 O ATOM 1305 CB GLU A 84 4.901 6.587 11.700 1.00 0.00 C ATOM 1306 CG GLU A 84 3.580 7.281 11.987 1.00 0.00 C ATOM 1307 CD GLU A 84 2.720 6.514 12.973 1.00 0.00 C ATOM 1308 OE1 GLU A 84 3.030 6.550 14.182 1.00 0.00 O ATOM 1309 OE2 GLU A 84 1.739 5.879 12.535 1.00 0.00 O ATOM 0 H GLU A 84 5.810 6.969 9.344 1.00 0.00 H new ATOM 0 HA GLU A 84 5.855 8.508 11.834 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.762 5.885 10.878 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.191 6.002 12.573 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.776 8.278 12.381 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.031 7.409 11.054 1.00 0.00 H new ATOM 1316 N ASP A 85 7.864 7.566 12.939 1.00 0.00 N ATOM 1317 CA ASP A 85 9.128 7.129 13.521 1.00 0.00 C ATOM 1318 C ASP A 85 10.254 7.203 12.495 1.00 0.00 C ATOM 1319 O ASP A 85 11.250 6.489 12.599 1.00 0.00 O ATOM 1320 CB ASP A 85 9.000 5.701 14.055 1.00 0.00 C ATOM 1321 CG ASP A 85 10.121 5.338 15.009 1.00 0.00 C ATOM 1322 OD1 ASP A 85 11.188 5.985 14.946 1.00 0.00 O ATOM 1323 OD2 ASP A 85 9.932 4.407 15.819 1.00 0.00 O ATOM 0 H ASP A 85 7.413 8.332 13.438 1.00 0.00 H new ATOM 0 HA ASP A 85 9.370 7.798 14.347 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.043 5.591 14.565 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.998 5.002 13.219 1.00 0.00 H new ATOM 1328 N GLY A 86 10.088 8.072 11.503 1.00 0.00 N ATOM 1329 CA GLY A 86 11.097 8.223 10.471 1.00 0.00 C ATOM 1330 C GLY A 86 11.588 6.890 9.942 1.00 0.00 C ATOM 1331 O GLY A 86 12.662 6.808 9.345 1.00 0.00 O ATOM 0 H GLY A 86 9.272 8.675 11.395 1.00 0.00 H new ATOM 0 HA2 GLY A 86 10.686 8.808 9.648 1.00 0.00 H new ATOM 0 HA3 GLY A 86 11.941 8.785 10.871 1.00 0.00 H new ATOM 1335 N LYS A 87 10.801 5.842 10.160 1.00 0.00 N ATOM 1336 CA LYS A 87 11.160 4.506 9.701 1.00 0.00 C ATOM 1337 C LYS A 87 9.991 3.848 8.975 1.00 0.00 C ATOM 1338 O LYS A 87 10.187 3.014 8.090 1.00 0.00 O ATOM 1339 CB LYS A 87 11.593 3.637 10.884 1.00 0.00 C ATOM 1340 CG LYS A 87 10.574 3.590 12.009 1.00 0.00 C ATOM 1341 CD LYS A 87 10.554 2.230 12.686 1.00 0.00 C ATOM 1342 CE LYS A 87 11.644 2.115 13.740 1.00 0.00 C ATOM 1343 NZ LYS A 87 11.665 0.767 14.373 1.00 0.00 N ATOM 0 H LYS A 87 9.909 5.893 10.652 1.00 0.00 H new ATOM 0 HA LYS A 87 11.992 4.600 9.003 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.778 2.623 10.530 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.537 4.016 11.276 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.807 4.360 12.744 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.584 3.815 11.614 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.581 2.067 13.149 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.686 1.448 11.938 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.613 2.317 13.284 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.489 2.874 14.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.422 0.730 15.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.749 0.584 14.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.839 0.044 13.645 1.00 0.00 H new ATOM 1357 N VAL A 88 8.775 4.229 9.352 1.00 0.00 N ATOM 1358 CA VAL A 88 7.575 3.677 8.735 1.00 0.00 C ATOM 1359 C VAL A 88 6.826 4.742 7.942 1.00 0.00 C ATOM 1360 O VAL A 88 6.811 5.915 8.317 1.00 0.00 O ATOM 1361 CB VAL A 88 6.627 3.076 9.790 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.403 2.468 9.122 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.356 2.040 10.632 1.00 0.00 C ATOM 0 H VAL A 88 8.595 4.918 10.082 1.00 0.00 H new ATOM 0 HA VAL A 88 7.901 2.887 8.059 1.00 0.00 H new ATOM 0 HB VAL A 88 6.291 3.876 10.450 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.744 2.048 9.882 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.870 3.240 8.567 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.716 1.679 8.438 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.671 1.626 11.372 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.722 1.240 9.988 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.198 2.511 11.140 1.00 0.00 H new ATOM 1373 N VAL A 89 6.204 4.326 6.844 1.00 0.00 N ATOM 1374 CA VAL A 89 5.450 5.244 5.998 1.00 0.00 C ATOM 1375 C VAL A 89 3.964 4.906 6.008 1.00 0.00 C ATOM 1376 O VAL A 89 3.525 3.963 5.349 1.00 0.00 O ATOM 1377 CB VAL A 89 5.962 5.217 4.545 1.00 0.00 C ATOM 1378 CG1 VAL A 89 5.018 5.984 3.632 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.371 5.785 4.467 1.00 0.00 C ATOM 0 H VAL A 89 6.207 3.359 6.519 1.00 0.00 H new ATOM 0 HA VAL A 89 5.595 6.244 6.408 1.00 0.00 H new ATOM 0 HB VAL A 89 5.993 4.181 4.208 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.396 5.954 2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.028 5.528 3.666 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.952 7.020 3.964 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.717 5.758 3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.368 6.815 4.822 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.039 5.189 5.089 1.00 0.00 H new ATOM 1389 N THR A 90 3.190 5.683 6.760 1.00 0.00 N ATOM 1390 CA THR A 90 1.753 5.466 6.857 1.00 0.00 C ATOM 1391 C THR A 90 0.995 6.355 5.877 1.00 0.00 C ATOM 1392 O THR A 90 1.186 7.572 5.852 1.00 0.00 O ATOM 1393 CB THR A 90 1.238 5.739 8.283 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.692 7.021 8.731 1.00 0.00 O ATOM 1395 CG2 THR A 90 1.716 4.662 9.245 1.00 0.00 C ATOM 0 H THR A 90 3.536 6.469 7.311 1.00 0.00 H new ATOM 0 HA THR A 90 1.574 4.420 6.608 1.00 0.00 H new ATOM 0 HB THR A 90 0.148 5.728 8.261 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.294 7.407 8.061 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.340 4.875 10.246 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.345 3.691 8.917 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.806 4.647 9.262 1.00 0.00 H new ATOM 1403 N VAL A 91 0.135 5.742 5.071 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.653 6.478 4.090 1.00 0.00 C ATOM 1405 C VAL A 91 -2.137 6.442 4.439 1.00 0.00 C ATOM 1406 O VAL A 91 -2.741 5.372 4.523 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.457 5.911 2.672 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.263 6.711 1.660 1.00 0.00 C ATOM 1409 CG2 VAL A 91 1.019 5.901 2.303 1.00 0.00 C ATOM 0 H VAL A 91 -0.034 4.736 5.078 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.302 7.510 4.112 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.819 4.883 2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.112 6.295 0.664 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.321 6.662 1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.935 7.750 1.673 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.140 5.497 1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.409 6.918 2.335 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.567 5.280 3.012 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.721 7.620 4.641 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.136 7.724 4.979 1.00 0.00 C ATOM 1421 C HIS A 92 -4.986 7.872 3.721 1.00 0.00 C ATOM 1422 O HIS A 92 -4.901 8.880 3.017 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.372 8.912 5.912 1.00 0.00 C ATOM 1424 CG HIS A 92 -5.745 9.499 5.797 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -6.745 9.263 6.717 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.282 10.319 4.863 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -7.837 9.910 6.354 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -7.583 10.559 5.232 1.00 0.00 N ATOM 0 H HIS A 92 -2.236 8.515 4.576 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.431 6.807 5.489 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.207 8.594 6.941 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.635 9.686 5.695 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -5.781 10.711 3.990 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -8.778 9.909 6.884 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.246 11.144 4.722 1.00 0.00 H new ATOM 1437 N LEU A 93 -5.804 6.863 3.443 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.670 6.881 2.269 1.00 0.00 C ATOM 1439 C LEU A 93 -8.120 7.135 2.666 1.00 0.00 C ATOM 1440 O LEU A 93 -8.728 6.335 3.377 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.560 5.557 1.511 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.268 5.341 0.722 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.068 3.863 0.421 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -5.288 6.151 -0.566 1.00 0.00 C ATOM 0 H LEU A 93 -5.886 6.022 4.014 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.344 7.693 1.619 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.666 4.742 2.227 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.400 5.486 0.820 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.431 5.684 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.144 3.728 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.009 3.306 1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.908 3.495 -0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.361 5.985 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.133 5.839 -1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.384 7.210 -0.328 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.670 8.252 2.199 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.050 8.609 2.505 1.00 0.00 C ATOM 1458 C GLU A 94 -11.017 7.907 1.555 1.00 0.00 C ATOM 1459 O GLU A 94 -10.896 8.018 0.335 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.240 10.124 2.416 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.293 10.663 3.369 1.00 0.00 C ATOM 1462 CD GLU A 94 -12.012 11.879 2.817 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -11.331 12.778 2.282 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -13.256 11.931 2.921 1.00 0.00 O ATOM 0 H GLU A 94 -8.181 8.924 1.608 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.266 8.282 3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.289 10.614 2.625 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.517 10.387 1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -12.021 9.880 3.580 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -10.821 10.924 4.316 1.00 0.00 H new ATOM 1471 N LYS A 95 -11.976 7.184 2.123 1.00 0.00 N ATOM 1472 CA LYS A 95 -12.964 6.465 1.330 1.00 0.00 C ATOM 1473 C LYS A 95 -14.087 7.396 0.884 1.00 0.00 C ATOM 1474 O LYS A 95 -14.857 7.892 1.706 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.544 5.299 2.134 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.578 4.140 2.308 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.227 2.978 3.041 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.189 2.099 3.722 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.807 0.904 4.361 1.00 0.00 N ATOM 0 H LYS A 95 -12.089 7.081 3.131 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.465 6.075 0.443 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.845 5.661 3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.445 4.939 1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.230 3.806 1.331 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.701 4.476 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.926 3.360 3.785 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.806 2.380 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.449 1.777 2.989 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.659 2.681 4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.217 0.592 5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.757 1.148 4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.880 0.136 3.664 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.174 7.628 -0.422 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.204 8.498 -0.976 1.00 0.00 C ATOM 1495 C ILE A 96 -16.500 8.390 -0.180 1.00 0.00 C ATOM 1496 O ILE A 96 -17.196 9.383 0.029 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.491 8.161 -2.451 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.349 8.655 -3.341 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.813 8.776 -2.887 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -14.183 10.159 -3.332 1.00 0.00 C ATOM 0 H ILE A 96 -13.544 7.226 -1.116 1.00 0.00 H new ATOM 0 HA ILE A 96 -14.825 9.518 -0.912 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.564 7.078 -2.553 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.418 8.193 -3.013 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.527 8.323 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -17.002 8.529 -3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.619 8.381 -2.269 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.766 9.859 -2.773 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -13.356 10.438 -3.985 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -15.100 10.628 -3.688 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.974 10.496 -2.317 1.00 0.00 H new ATOM 1512 N ASN A 97 -16.818 7.178 0.264 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.030 6.941 1.038 1.00 0.00 C ATOM 1514 C ASN A 97 -17.702 6.275 2.371 1.00 0.00 C ATOM 1515 O ASN A 97 -17.037 5.239 2.414 1.00 0.00 O ATOM 1516 CB ASN A 97 -19.004 6.068 0.245 1.00 0.00 C ATOM 1517 CG ASN A 97 -20.294 5.807 1.000 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -20.697 6.598 1.853 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -20.946 4.693 0.689 1.00 0.00 N ATOM 0 H ASN A 97 -16.253 6.345 0.101 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.498 7.905 1.239 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -19.233 6.554 -0.703 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -18.526 5.117 0.009 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -21.819 4.463 1.164 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -20.574 4.067 -0.025 1.00 0.00 H new ATOM 1526 N LYS A 98 -18.174 6.875 3.458 1.00 0.00 N ATOM 1527 CA LYS A 98 -17.934 6.341 4.794 1.00 0.00 C ATOM 1528 C LYS A 98 -18.815 5.124 5.059 1.00 0.00 C ATOM 1529 O LYS A 98 -18.586 4.376 6.009 1.00 0.00 O ATOM 1530 CB LYS A 98 -18.199 7.415 5.851 1.00 0.00 C ATOM 1531 CG LYS A 98 -17.415 8.696 5.626 1.00 0.00 C ATOM 1532 CD LYS A 98 -15.966 8.547 6.061 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.114 9.705 5.566 1.00 0.00 C ATOM 1534 NZ LYS A 98 -15.433 10.973 6.279 1.00 0.00 N ATOM 0 H LYS A 98 -18.726 7.733 3.440 1.00 0.00 H new ATOM 0 HA LYS A 98 -16.890 6.033 4.853 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.264 7.648 5.861 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.951 7.015 6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -17.453 8.966 4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -17.880 9.511 6.181 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -15.915 8.495 7.149 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.565 7.609 5.678 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -14.060 9.466 5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -15.272 9.840 4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -14.831 11.738 5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -16.433 11.215 6.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -15.258 10.852 7.297 1.00 0.00 H new ATOM 1548 N MET A 99 -19.821 4.931 4.212 1.00 0.00 N ATOM 1549 CA MET A 99 -20.734 3.802 4.354 1.00 0.00 C ATOM 1550 C MET A 99 -20.374 2.686 3.379 1.00 0.00 C ATOM 1551 O MET A 99 -21.253 2.006 2.850 1.00 0.00 O ATOM 1552 CB MET A 99 -22.177 4.254 4.122 1.00 0.00 C ATOM 1553 CG MET A 99 -22.858 4.781 5.375 1.00 0.00 C ATOM 1554 SD MET A 99 -23.600 3.470 6.366 1.00 0.00 S ATOM 1555 CE MET A 99 -23.036 3.923 8.004 1.00 0.00 C ATOM 0 H MET A 99 -20.025 5.541 3.421 1.00 0.00 H new ATOM 0 HA MET A 99 -20.641 3.416 5.369 1.00 0.00 H new ATOM 0 HB2 MET A 99 -22.187 5.032 3.358 1.00 0.00 H new ATOM 0 HB3 MET A 99 -22.753 3.416 3.731 1.00 0.00 H new ATOM 0 HG2 MET A 99 -22.129 5.320 5.980 1.00 0.00 H new ATOM 0 HG3 MET A 99 -23.629 5.497 5.091 1.00 0.00 H new ATOM 0 HE1 MET A 99 -23.414 3.204 8.731 1.00 0.00 H new ATOM 0 HE2 MET A 99 -21.946 3.923 8.027 1.00 0.00 H new ATOM 0 HE3 MET A 99 -23.404 4.918 8.253 1.00 0.00 H new ATOM 1565 N GLU A 100 -19.078 2.505 3.145 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.605 1.471 2.231 1.00 0.00 C ATOM 1567 C GLU A 100 -17.422 0.716 2.830 1.00 0.00 C ATOM 1568 O GLU A 100 -16.598 1.294 3.539 1.00 0.00 O ATOM 1569 CB GLU A 100 -18.203 2.090 0.891 1.00 0.00 C ATOM 1570 CG GLU A 100 -17.746 1.069 -0.138 1.00 0.00 C ATOM 1571 CD GLU A 100 -18.890 0.533 -0.976 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -19.848 -0.015 -0.391 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -18.827 0.660 -2.217 1.00 0.00 O ATOM 0 H GLU A 100 -18.338 3.060 3.575 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.419 0.765 2.068 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -19.050 2.645 0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.401 2.809 1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -17.004 1.526 -0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -17.254 0.240 0.372 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.346 -0.578 2.541 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.265 -1.413 3.051 1.00 0.00 C ATOM 1582 C TRP A 101 -15.270 -1.751 1.946 1.00 0.00 C ATOM 1583 O TRP A 101 -15.555 -1.562 0.763 1.00 0.00 O ATOM 1584 CB TRP A 101 -16.829 -2.699 3.657 1.00 0.00 C ATOM 1585 CG TRP A 101 -17.178 -2.568 5.109 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.431 -2.474 5.645 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.264 -2.515 6.209 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.350 -2.365 7.012 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -17.032 -2.389 7.383 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -14.872 -2.563 6.317 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.452 -2.310 8.647 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.297 -2.484 7.572 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -15.087 -2.359 8.723 1.00 0.00 C ATOM 0 H TRP A 101 -18.020 -1.072 1.956 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.742 -0.853 3.826 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -17.719 -2.994 3.102 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -16.099 -3.499 3.537 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.350 -2.484 5.078 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.143 -2.280 7.648 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.256 -2.660 5.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -17.058 -2.213 9.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.222 -2.519 7.667 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -14.608 -2.300 9.689 1.00 0.00 H new ATOM 1604 N TRP A 102 -14.104 -2.251 2.338 1.00 0.00 N ATOM 1605 CA TRP A 102 -13.067 -2.615 1.379 1.00 0.00 C ATOM 1606 C TRP A 102 -12.711 -4.092 1.497 1.00 0.00 C ATOM 1607 O TRP A 102 -12.651 -4.640 2.598 1.00 0.00 O ATOM 1608 CB TRP A 102 -11.819 -1.758 1.597 1.00 0.00 C ATOM 1609 CG TRP A 102 -11.859 -0.453 0.861 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -12.887 0.447 0.843 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -10.826 0.098 0.036 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -12.555 1.523 0.056 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.296 1.334 -0.449 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.550 -0.331 -0.338 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -10.534 2.141 -1.290 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -8.796 0.471 -1.172 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.289 1.696 -1.640 1.00 0.00 C ATOM 0 H TRP A 102 -13.853 -2.414 3.313 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.454 -2.433 0.376 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.703 -1.562 2.663 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -10.941 -2.320 1.279 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -13.823 0.330 1.370 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.150 2.332 -0.123 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.160 -1.273 0.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -10.913 3.085 -1.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -7.809 0.148 -1.469 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -8.674 2.301 -2.290 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.477 -4.733 0.357 1.00 0.00 N ATOM 1629 CA ASN A 103 -12.127 -6.149 0.333 1.00 0.00 C ATOM 1630 C ASN A 103 -10.613 -6.335 0.314 1.00 0.00 C ATOM 1631 O ASN A 103 -10.104 -7.405 0.650 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.751 -6.830 -0.887 1.00 0.00 C ATOM 1633 CG ASN A 103 -12.905 -8.326 -0.698 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -11.919 -9.049 -0.552 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -14.146 -8.798 -0.699 1.00 0.00 N ATOM 0 H ASN A 103 -12.523 -4.295 -0.563 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.521 -6.610 1.239 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -13.728 -6.389 -1.086 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -12.131 -6.639 -1.763 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -14.312 -9.797 -0.575 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -14.934 -8.162 -0.823 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.898 -5.286 -0.080 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.442 -5.334 -0.143 1.00 0.00 C ATOM 1644 C ARG A 104 -7.869 -3.967 -0.508 1.00 0.00 C ATOM 1645 O ARG A 104 -8.548 -3.140 -1.118 1.00 0.00 O ATOM 1646 CB ARG A 104 -7.989 -6.378 -1.165 1.00 0.00 C ATOM 1647 CG ARG A 104 -8.527 -6.133 -2.565 1.00 0.00 C ATOM 1648 CD ARG A 104 -8.053 -7.201 -3.539 1.00 0.00 C ATOM 1649 NE ARG A 104 -8.700 -7.080 -4.842 1.00 0.00 N ATOM 1650 CZ ARG A 104 -8.421 -7.865 -5.877 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -7.512 -8.823 -5.760 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -9.053 -7.693 -7.031 1.00 0.00 N ATOM 0 H ARG A 104 -10.303 -4.393 -0.360 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.069 -5.614 0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.900 -6.390 -1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.308 -7.365 -0.830 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.617 -6.120 -2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -8.204 -5.152 -2.914 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.973 -7.125 -3.662 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.258 -8.187 -3.123 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.405 -6.353 -4.965 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -7.025 -8.959 -4.874 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -7.300 -9.424 -6.556 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -9.754 -6.958 -7.124 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -8.838 -8.296 -7.825 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.617 -3.737 -0.129 1.00 0.00 N ATOM 1667 CA LEU A 105 -5.952 -2.470 -0.416 1.00 0.00 C ATOM 1668 C LEU A 105 -5.856 -2.234 -1.919 1.00 0.00 C ATOM 1669 O LEU A 105 -6.457 -1.300 -2.451 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.554 -2.454 0.205 1.00 0.00 C ATOM 1671 CG LEU A 105 -3.646 -1.298 -0.216 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -4.182 0.022 0.316 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -2.223 -1.533 0.271 1.00 0.00 C ATOM 0 H LEU A 105 -6.042 -4.410 0.377 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.547 -1.668 0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.660 -2.430 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.056 -3.391 -0.046 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.633 -1.249 -1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.523 0.833 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.182 0.195 -0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.225 -0.015 1.405 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.591 -0.701 -0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.218 -1.609 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.840 -2.458 -0.159 1.00 0.00 H new ATOM 1685 N VAL A 106 -5.097 -3.087 -2.600 1.00 0.00 N ATOM 1686 CA VAL A 106 -4.925 -2.973 -4.044 1.00 0.00 C ATOM 1687 C VAL A 106 -5.217 -4.298 -4.738 1.00 0.00 C ATOM 1688 O VAL A 106 -5.018 -5.370 -4.165 1.00 0.00 O ATOM 1689 CB VAL A 106 -3.497 -2.520 -4.405 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -3.308 -1.045 -4.084 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.469 -3.370 -3.674 1.00 0.00 C ATOM 0 H VAL A 106 -4.591 -3.864 -2.175 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.635 -2.221 -4.389 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.350 -2.655 -5.477 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.294 -0.743 -4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.022 -0.454 -4.657 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.472 -0.880 -3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.466 -3.037 -3.940 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.612 -3.268 -2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.592 -4.415 -3.959 1.00 0.00 H new ATOM 1701 N THR A 107 -5.690 -4.219 -5.978 1.00 0.00 N ATOM 1702 CA THR A 107 -6.010 -5.411 -6.752 1.00 0.00 C ATOM 1703 C THR A 107 -4.944 -6.486 -6.573 1.00 0.00 C ATOM 1704 O THR A 107 -5.231 -7.679 -6.661 1.00 0.00 O ATOM 1705 CB THR A 107 -6.150 -5.088 -8.251 1.00 0.00 C ATOM 1706 OG1 THR A 107 -4.959 -4.450 -8.728 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.349 -4.185 -8.501 1.00 0.00 C ATOM 0 H THR A 107 -5.860 -3.341 -6.468 1.00 0.00 H new ATOM 0 HA THR A 107 -6.964 -5.783 -6.378 1.00 0.00 H new ATOM 0 HB THR A 107 -6.302 -6.024 -8.789 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.055 -4.249 -9.682 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.427 -3.971 -9.567 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.257 -4.684 -8.164 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.223 -3.252 -7.952 1.00 0.00 H new ATOM 1715 N SER A 108 -3.712 -6.054 -6.320 1.00 0.00 N ATOM 1716 CA SER A 108 -2.602 -6.980 -6.132 1.00 0.00 C ATOM 1717 C SER A 108 -2.733 -7.723 -4.805 1.00 0.00 C ATOM 1718 O SER A 108 -2.550 -8.938 -4.741 1.00 0.00 O ATOM 1719 CB SER A 108 -1.270 -6.229 -6.179 1.00 0.00 C ATOM 1720 OG SER A 108 -0.180 -7.110 -5.971 1.00 0.00 O ATOM 0 H SER A 108 -3.458 -5.069 -6.241 1.00 0.00 H new ATOM 0 HA SER A 108 -2.629 -7.709 -6.942 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.162 -5.734 -7.144 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.262 -5.449 -5.418 1.00 0.00 H new ATOM 0 HG SER A 108 0.660 -6.606 -6.007 1.00 0.00 H new ATOM 1726 N ASP A 109 -3.052 -6.982 -3.749 1.00 0.00 N ATOM 1727 CA ASP A 109 -3.209 -7.569 -2.423 1.00 0.00 C ATOM 1728 C ASP A 109 -4.311 -8.623 -2.423 1.00 0.00 C ATOM 1729 O ASP A 109 -5.218 -8.609 -3.256 1.00 0.00 O ATOM 1730 CB ASP A 109 -3.525 -6.481 -1.395 1.00 0.00 C ATOM 1731 CG ASP A 109 -2.274 -5.886 -0.779 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -1.216 -5.916 -1.440 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -2.354 -5.390 0.365 1.00 0.00 O ATOM 0 H ASP A 109 -3.207 -5.974 -3.785 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.270 -8.052 -2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.103 -5.690 -1.873 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.150 -6.900 -0.607 1.00 0.00 H new ATOM 1738 N PRO A 110 -4.234 -9.560 -1.466 1.00 0.00 N ATOM 1739 CA PRO A 110 -5.217 -10.640 -1.334 1.00 0.00 C ATOM 1740 C PRO A 110 -6.575 -10.132 -0.864 1.00 0.00 C ATOM 1741 O PRO A 110 -6.667 -9.096 -0.207 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.595 -11.559 -0.280 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.705 -10.671 0.519 1.00 0.00 C ATOM 1744 CD PRO A 110 -3.181 -9.638 -0.440 1.00 0.00 C ATOM 0 HA PRO A 110 -5.412 -11.133 -2.286 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.360 -12.019 0.345 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.033 -12.370 -0.744 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.253 -10.202 1.336 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -2.889 -11.238 0.967 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.026 -8.677 0.050 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.224 -9.936 -0.868 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.628 -10.870 -1.203 1.00 0.00 N ATOM 1753 CA GLU A 111 -8.982 -10.493 -0.815 1.00 0.00 C ATOM 1754 C GLU A 111 -9.350 -11.102 0.535 1.00 0.00 C ATOM 1755 O GLU A 111 -8.881 -12.185 0.888 1.00 0.00 O ATOM 1756 CB GLU A 111 -9.985 -10.941 -1.880 1.00 0.00 C ATOM 1757 CG GLU A 111 -10.167 -9.936 -3.005 1.00 0.00 C ATOM 1758 CD GLU A 111 -11.466 -10.137 -3.761 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -12.539 -9.882 -3.177 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -11.408 -10.549 -4.939 1.00 0.00 O ATOM 0 H GLU A 111 -7.569 -11.732 -1.745 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.018 -9.407 -0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.655 -11.890 -2.302 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.950 -11.122 -1.406 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.143 -8.927 -2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.330 -10.017 -3.699 1.00 0.00 H new ATOM 1767 N ILE A 112 -10.192 -10.399 1.285 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.623 -10.870 2.595 1.00 0.00 C ATOM 1769 C ILE A 112 -12.141 -10.813 2.727 1.00 0.00 C ATOM 1770 O ILE A 112 -12.762 -9.792 2.434 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.989 -10.042 3.728 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -10.092 -8.547 3.416 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -8.537 -10.447 3.932 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -10.040 -7.668 4.645 1.00 0.00 C ATOM 0 H ILE A 112 -10.589 -9.501 1.008 1.00 0.00 H new ATOM 0 HA ILE A 112 -10.291 -11.905 2.683 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.534 -10.240 4.651 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -9.280 -8.267 2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -11.024 -8.359 2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -8.103 -9.853 4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.487 -11.504 4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.979 -10.275 3.012 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -10.118 -6.622 4.348 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.868 -7.920 5.308 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -9.096 -7.827 5.167 1.00 0.00 H new