USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 433 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 54 GLN : amide:sc= -5.28! C(o=-6.1!,f=-7.3!) USER MOD Set 1.2: A 58 TYR OH : rot 180:sc= -0.853 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 17 LYS NZ :NH3+ 151:sc=-0.00495 (180deg=-0.116) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -2.61 X(o=-2.6,f=-2.7!) USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0109) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.425 USER MOD Single : A 37 GLN :FLIP amide:sc= -0.0645 F(o=-3!,f=-0.064) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.416 K(o=-0.42,f=-2.6!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.89 USER MOD Single : A 49 LYS NZ :NH3+ -129:sc= -2.24 (180deg=-4.06!) USER MOD Single : A 50 GLN : amide:sc= -1.19 K(o=-1.2,f=-3.8!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 11 4.151 0.993 8.176 1.00 0.00 N ATOM 117 CA TRP A 11 2.736 0.930 8.526 1.00 0.00 C ATOM 118 C TRP A 11 2.516 0.038 9.742 1.00 0.00 C ATOM 119 O TRP A 11 3.283 -0.892 9.991 1.00 0.00 O ATOM 120 CB TRP A 11 1.920 0.409 7.341 1.00 0.00 C ATOM 121 CG TRP A 11 1.725 1.429 6.261 1.00 0.00 C ATOM 122 CD1 TRP A 11 2.690 2.199 5.676 1.00 0.00 C ATOM 123 CD2 TRP A 11 0.488 1.791 5.638 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.127 3.017 4.726 1.00 0.00 N ATOM 125 CE2 TRP A 11 0.778 2.786 4.683 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.836 1.371 5.791 1.00 0.00 C ATOM 127 CZ2 TRP A 11 -0.209 3.366 3.889 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.814 1.947 5.003 1.00 0.00 C ATOM 129 CH2 TRP A 11 -1.496 2.935 4.061 1.00 0.00 C ATOM 0 HA TRP A 11 2.402 1.938 8.773 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.419 -0.464 6.921 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.945 0.077 7.698 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.741 2.169 5.924 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.632 3.688 4.147 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.091 0.609 6.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.033 4.129 3.164 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.841 1.631 5.115 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.283 3.365 3.459 1.00 0.00 H new ATOM 140 N THR A 12 1.461 0.326 10.499 1.00 0.00 N ATOM 141 CA THR A 12 1.140 -0.449 11.690 1.00 0.00 C ATOM 142 C THR A 12 0.251 -1.639 11.348 1.00 0.00 C ATOM 143 O THR A 12 -0.161 -1.810 10.201 1.00 0.00 O ATOM 144 CB THR A 12 0.434 0.417 12.751 1.00 0.00 C ATOM 145 OG1 THR A 12 -0.944 0.591 12.402 1.00 0.00 O ATOM 146 CG2 THR A 12 1.107 1.775 12.876 1.00 0.00 C ATOM 0 H THR A 12 0.814 1.091 10.307 1.00 0.00 H new ATOM 0 HA THR A 12 2.085 -0.810 12.097 1.00 0.00 H new ATOM 0 HB THR A 12 0.503 -0.094 13.711 1.00 0.00 H new ATOM 0 HG1 THR A 12 -1.387 1.141 13.082 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.591 2.369 13.631 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.148 1.640 13.170 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.065 2.292 11.917 1.00 0.00 H new ATOM 154 N VAL A 13 -0.043 -2.460 12.352 1.00 0.00 N ATOM 155 CA VAL A 13 -0.885 -3.634 12.158 1.00 0.00 C ATOM 156 C VAL A 13 -2.294 -3.236 11.732 1.00 0.00 C ATOM 157 O VAL A 13 -2.842 -3.784 10.777 1.00 0.00 O ATOM 158 CB VAL A 13 -0.969 -4.483 13.440 1.00 0.00 C ATOM 159 CG1 VAL A 13 -1.470 -3.643 14.605 1.00 0.00 C ATOM 160 CG2 VAL A 13 -1.865 -5.693 13.220 1.00 0.00 C ATOM 0 H VAL A 13 0.290 -2.333 13.308 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.424 -4.227 11.368 1.00 0.00 H new ATOM 0 HB VAL A 13 0.031 -4.840 13.685 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.523 -4.260 15.502 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.785 -2.812 14.776 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.462 -3.254 14.373 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.913 -6.282 14.136 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.867 -5.359 12.950 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.458 -6.306 12.416 1.00 0.00 H new ATOM 170 N GLU A 14 -2.873 -2.277 12.448 1.00 0.00 N ATOM 171 CA GLU A 14 -4.219 -1.805 12.144 1.00 0.00 C ATOM 172 C GLU A 14 -4.281 -1.202 10.743 1.00 0.00 C ATOM 173 O GLU A 14 -5.114 -1.590 9.926 1.00 0.00 O ATOM 174 CB GLU A 14 -4.666 -0.769 13.177 1.00 0.00 C ATOM 175 CG GLU A 14 -4.873 -1.347 14.567 1.00 0.00 C ATOM 176 CD GLU A 14 -5.457 -0.337 15.537 1.00 0.00 C ATOM 177 OE1 GLU A 14 -5.019 0.832 15.510 1.00 0.00 O ATOM 178 OE2 GLU A 14 -6.351 -0.716 16.322 1.00 0.00 O ATOM 0 H GLU A 14 -2.432 -1.812 13.242 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.893 -2.660 12.183 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.921 0.024 13.230 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.596 -0.311 12.841 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.536 -2.209 14.503 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.919 -1.707 14.953 1.00 0.00 H new ATOM 185 N GLU A 15 -3.392 -0.250 10.476 1.00 0.00 N ATOM 186 CA GLU A 15 -3.346 0.408 9.175 1.00 0.00 C ATOM 187 C GLU A 15 -3.065 -0.601 8.065 1.00 0.00 C ATOM 188 O GLU A 15 -3.785 -0.658 7.068 1.00 0.00 O ATOM 189 CB GLU A 15 -2.276 1.501 9.169 1.00 0.00 C ATOM 190 CG GLU A 15 -2.774 2.844 9.675 1.00 0.00 C ATOM 191 CD GLU A 15 -3.615 2.718 10.931 1.00 0.00 C ATOM 192 OE1 GLU A 15 -4.691 2.089 10.865 1.00 0.00 O ATOM 193 OE2 GLU A 15 -3.195 3.250 11.981 1.00 0.00 O ATOM 0 H GLU A 15 -2.695 0.082 11.142 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.320 0.862 8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.436 1.179 9.785 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.898 1.622 8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.921 3.491 9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.363 3.327 8.895 1.00 0.00 H new ATOM 200 N GLN A 16 -2.013 -1.393 8.245 1.00 0.00 N ATOM 201 CA GLN A 16 -1.636 -2.398 7.258 1.00 0.00 C ATOM 202 C GLN A 16 -2.862 -3.154 6.757 1.00 0.00 C ATOM 203 O GLN A 16 -3.263 -3.011 5.601 1.00 0.00 O ATOM 204 CB GLN A 16 -0.627 -3.378 7.858 1.00 0.00 C ATOM 205 CG GLN A 16 0.820 -2.952 7.671 1.00 0.00 C ATOM 206 CD GLN A 16 1.801 -4.064 7.988 1.00 0.00 C ATOM 207 OE1 GLN A 16 1.615 -4.818 8.943 1.00 0.00 O ATOM 208 NE2 GLN A 16 2.854 -4.171 7.186 1.00 0.00 N ATOM 0 H GLN A 16 -1.407 -1.358 9.065 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.176 -1.887 6.412 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -0.830 -3.488 8.923 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.770 -4.358 7.403 1.00 0.00 H new ATOM 0 HG2 GLN A 16 0.968 -2.624 6.642 1.00 0.00 H new ATOM 0 HG3 GLN A 16 1.028 -2.095 8.312 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.969 -3.524 6.406 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.548 -4.900 7.350 1.00 0.00 H new ATOM 217 N LYS A 17 -3.452 -3.961 7.632 1.00 0.00 N ATOM 218 CA LYS A 17 -4.633 -4.740 7.279 1.00 0.00 C ATOM 219 C LYS A 17 -5.716 -3.847 6.681 1.00 0.00 C ATOM 220 O LYS A 17 -6.482 -4.276 5.818 1.00 0.00 O ATOM 221 CB LYS A 17 -5.178 -5.465 8.512 1.00 0.00 C ATOM 222 CG LYS A 17 -5.810 -4.536 9.534 1.00 0.00 C ATOM 223 CD LYS A 17 -6.732 -5.290 10.478 1.00 0.00 C ATOM 224 CE LYS A 17 -6.782 -4.634 11.849 1.00 0.00 C ATOM 225 NZ LYS A 17 -5.729 -5.166 12.758 1.00 0.00 N ATOM 0 H LYS A 17 -3.131 -4.093 8.591 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.341 -5.477 6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.918 -6.199 8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.367 -6.016 8.987 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.028 -4.039 10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.372 -3.757 9.020 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.736 -5.328 10.055 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.389 -6.320 10.578 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.658 -3.557 11.741 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.763 -4.798 12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.458 -4.431 13.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.096 -5.995 13.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.896 -5.444 12.200 1.00 0.00 H new ATOM 239 N LYS A 18 -5.773 -2.603 7.144 1.00 0.00 N ATOM 240 CA LYS A 18 -6.759 -1.648 6.654 1.00 0.00 C ATOM 241 C LYS A 18 -6.542 -1.354 5.173 1.00 0.00 C ATOM 242 O LYS A 18 -7.495 -1.305 4.394 1.00 0.00 O ATOM 243 CB LYS A 18 -6.686 -0.349 7.460 1.00 0.00 C ATOM 244 CG LYS A 18 -7.927 0.517 7.331 1.00 0.00 C ATOM 245 CD LYS A 18 -8.161 1.346 8.583 1.00 0.00 C ATOM 246 CE LYS A 18 -9.607 1.807 8.684 1.00 0.00 C ATOM 247 NZ LYS A 18 -9.828 2.685 9.867 1.00 0.00 N ATOM 0 H LYS A 18 -5.147 -2.232 7.859 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.748 -2.089 6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.530 -0.592 8.511 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.818 0.223 7.133 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.823 1.178 6.470 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -8.795 -0.115 7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -7.903 0.758 9.464 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.501 2.214 8.575 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.881 2.345 7.776 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.262 0.938 8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.825 2.978 9.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.591 2.164 10.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.222 3.527 9.792 1.00 0.00 H new ATOM 261 N LEU A 19 -5.285 -1.160 4.791 1.00 0.00 N ATOM 262 CA LEU A 19 -4.943 -0.872 3.403 1.00 0.00 C ATOM 263 C LEU A 19 -5.407 -1.996 2.483 1.00 0.00 C ATOM 264 O LEU A 19 -6.112 -1.758 1.503 1.00 0.00 O ATOM 265 CB LEU A 19 -3.433 -0.671 3.260 1.00 0.00 C ATOM 266 CG LEU A 19 -2.877 -0.751 1.838 1.00 0.00 C ATOM 267 CD1 LEU A 19 -3.464 0.352 0.972 1.00 0.00 C ATOM 268 CD2 LEU A 19 -1.358 -0.667 1.854 1.00 0.00 C ATOM 0 H LEU A 19 -4.485 -1.197 5.423 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.455 0.045 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.175 0.303 3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.928 -1.421 3.869 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.164 -1.712 1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.056 0.279 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.548 0.246 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.209 1.323 1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.980 -0.726 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.051 0.278 2.301 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.954 -1.493 2.439 1.00 0.00 H new ATOM 280 N GLU A 20 -5.008 -3.222 2.807 1.00 0.00 N ATOM 281 CA GLU A 20 -5.385 -4.383 2.010 1.00 0.00 C ATOM 282 C GLU A 20 -6.887 -4.395 1.742 1.00 0.00 C ATOM 283 O GLU A 20 -7.323 -4.527 0.599 1.00 0.00 O ATOM 284 CB GLU A 20 -4.973 -5.674 2.722 1.00 0.00 C ATOM 285 CG GLU A 20 -3.505 -6.025 2.545 1.00 0.00 C ATOM 286 CD GLU A 20 -3.252 -7.518 2.600 1.00 0.00 C ATOM 287 OE1 GLU A 20 -4.107 -8.284 2.107 1.00 0.00 O ATOM 288 OE2 GLU A 20 -2.199 -7.923 3.136 1.00 0.00 O ATOM 0 H GLU A 20 -4.424 -3.437 3.615 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.863 -4.320 1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.189 -5.577 3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.582 -6.496 2.347 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.155 -5.636 1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.921 -5.532 3.323 1.00 0.00 H new ATOM 295 N GLN A 21 -7.673 -4.256 2.805 1.00 0.00 N ATOM 296 CA GLN A 21 -9.126 -4.251 2.685 1.00 0.00 C ATOM 297 C GLN A 21 -9.593 -3.125 1.768 1.00 0.00 C ATOM 298 O GLN A 21 -10.490 -3.312 0.945 1.00 0.00 O ATOM 299 CB GLN A 21 -9.773 -4.104 4.063 1.00 0.00 C ATOM 300 CG GLN A 21 -9.958 -5.425 4.793 1.00 0.00 C ATOM 301 CD GLN A 21 -8.680 -6.238 4.860 1.00 0.00 C ATOM 302 OE1 GLN A 21 -7.979 -6.233 5.872 1.00 0.00 O ATOM 303 NE2 GLN A 21 -8.370 -6.944 3.779 1.00 0.00 N ATOM 0 H GLN A 21 -7.328 -4.145 3.758 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.432 -5.201 2.248 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.159 -3.443 4.675 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.744 -3.622 3.950 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -10.314 -5.230 5.805 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.730 -6.009 4.291 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.980 -6.919 2.962 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.522 -7.511 3.766 1.00 0.00 H new ATOM 312 N LEU A 22 -8.981 -1.956 1.917 1.00 0.00 N ATOM 313 CA LEU A 22 -9.334 -0.799 1.102 1.00 0.00 C ATOM 314 C LEU A 22 -9.046 -1.062 -0.373 1.00 0.00 C ATOM 315 O LEU A 22 -9.906 -0.857 -1.230 1.00 0.00 O ATOM 316 CB LEU A 22 -8.561 0.435 1.572 1.00 0.00 C ATOM 317 CG LEU A 22 -9.041 1.071 2.877 1.00 0.00 C ATOM 318 CD1 LEU A 22 -7.927 1.887 3.514 1.00 0.00 C ATOM 319 CD2 LEU A 22 -10.266 1.940 2.628 1.00 0.00 C ATOM 0 H LEU A 22 -8.238 -1.784 2.594 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.403 -0.617 1.217 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.513 0.159 1.689 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.606 1.189 0.786 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.320 0.274 3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.287 2.332 4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.078 1.238 3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -7.617 2.676 2.829 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.594 2.385 3.568 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.014 2.730 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.069 1.328 2.217 1.00 0.00 H new ATOM 331 N LEU A 23 -7.832 -1.519 -0.660 1.00 0.00 N ATOM 332 CA LEU A 23 -7.431 -1.814 -2.032 1.00 0.00 C ATOM 333 C LEU A 23 -8.464 -2.698 -2.723 1.00 0.00 C ATOM 334 O LEU A 23 -8.881 -2.418 -3.848 1.00 0.00 O ATOM 335 CB LEU A 23 -6.064 -2.499 -2.048 1.00 0.00 C ATOM 336 CG LEU A 23 -4.900 -1.689 -1.476 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.733 -2.601 -1.130 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.464 -0.614 -2.460 1.00 0.00 C ATOM 0 H LEU A 23 -7.109 -1.693 0.038 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.365 -0.872 -2.576 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.141 -3.432 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.825 -2.764 -3.078 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.237 -1.202 -0.561 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.914 -2.006 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.051 -3.334 -0.388 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.396 -3.117 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.635 -0.047 -2.036 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.145 -1.081 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.299 0.058 -2.658 1.00 0.00 H new ATOM 350 N ILE A 24 -8.873 -3.763 -2.044 1.00 0.00 N ATOM 351 CA ILE A 24 -9.860 -4.686 -2.592 1.00 0.00 C ATOM 352 C ILE A 24 -11.214 -4.006 -2.761 1.00 0.00 C ATOM 353 O ILE A 24 -11.889 -4.185 -3.775 1.00 0.00 O ATOM 354 CB ILE A 24 -10.030 -5.926 -1.695 1.00 0.00 C ATOM 355 CG1 ILE A 24 -8.692 -6.651 -1.531 1.00 0.00 C ATOM 356 CG2 ILE A 24 -11.078 -6.862 -2.279 1.00 0.00 C ATOM 357 CD1 ILE A 24 -8.569 -7.405 -0.226 1.00 0.00 C ATOM 0 H ILE A 24 -8.537 -4.009 -1.113 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.490 -5.001 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.369 -5.601 -0.711 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.563 -7.349 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.883 -5.923 -1.598 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -11.187 -7.734 -1.634 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -12.033 -6.341 -2.349 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.766 -7.183 -3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.596 -7.894 -0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.666 -6.709 0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -9.356 -8.157 -0.164 1.00 0.00 H new ATOM 369 N LYS A 25 -11.605 -3.222 -1.762 1.00 0.00 N ATOM 370 CA LYS A 25 -12.878 -2.511 -1.800 1.00 0.00 C ATOM 371 C LYS A 25 -12.948 -1.585 -3.009 1.00 0.00 C ATOM 372 O LYS A 25 -13.842 -1.708 -3.847 1.00 0.00 O ATOM 373 CB LYS A 25 -13.073 -1.704 -0.514 1.00 0.00 C ATOM 374 CG LYS A 25 -14.338 -0.864 -0.509 1.00 0.00 C ATOM 375 CD LYS A 25 -14.430 -0.001 0.738 1.00 0.00 C ATOM 376 CE LYS A 25 -15.860 0.444 1.004 1.00 0.00 C ATOM 377 NZ LYS A 25 -16.679 -0.646 1.602 1.00 0.00 N ATOM 0 H LYS A 25 -11.058 -3.063 -0.916 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.676 -3.249 -1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.098 -2.388 0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.212 -1.051 -0.371 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.357 -0.229 -1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.209 -1.517 -0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.056 -0.559 1.596 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.791 0.874 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.854 1.303 1.675 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.318 0.772 0.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.615 -0.274 1.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.791 -1.415 0.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.204 -1.011 2.452 1.00 0.00 H new ATOM 391 N TYR A 26 -11.999 -0.659 -3.096 1.00 0.00 N ATOM 392 CA TYR A 26 -11.954 0.289 -4.203 1.00 0.00 C ATOM 393 C TYR A 26 -11.379 -0.365 -5.456 1.00 0.00 C ATOM 394 O TYR A 26 -10.224 -0.791 -5.491 1.00 0.00 O ATOM 395 CB TYR A 26 -11.117 1.511 -3.822 1.00 0.00 C ATOM 396 CG TYR A 26 -11.779 2.403 -2.796 1.00 0.00 C ATOM 397 CD1 TYR A 26 -11.591 2.190 -1.436 1.00 0.00 C ATOM 398 CD2 TYR A 26 -12.593 3.459 -3.188 1.00 0.00 C ATOM 399 CE1 TYR A 26 -12.196 3.002 -0.496 1.00 0.00 C ATOM 400 CE2 TYR A 26 -13.200 4.277 -2.255 1.00 0.00 C ATOM 401 CZ TYR A 26 -12.998 4.044 -0.910 1.00 0.00 C ATOM 402 OH TYR A 26 -13.601 4.856 0.023 1.00 0.00 O ATOM 0 H TYR A 26 -11.250 -0.545 -2.413 1.00 0.00 H new ATOM 0 HA TYR A 26 -12.974 0.608 -4.417 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.156 1.175 -3.433 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.912 2.094 -4.720 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.961 1.376 -1.108 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.754 3.643 -4.240 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.041 2.821 0.558 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.829 5.094 -2.576 1.00 0.00 H new ATOM 0 HH TYR A 26 -14.131 5.542 -0.434 1.00 0.00 H new ATOM 412 N PRO A 27 -12.204 -0.446 -6.511 1.00 0.00 N ATOM 413 CA PRO A 27 -11.800 -1.045 -7.787 1.00 0.00 C ATOM 414 C PRO A 27 -10.776 -0.193 -8.529 1.00 0.00 C ATOM 415 O PRO A 27 -10.742 1.031 -8.401 1.00 0.00 O ATOM 416 CB PRO A 27 -13.110 -1.115 -8.575 1.00 0.00 C ATOM 417 CG PRO A 27 -13.959 -0.037 -7.996 1.00 0.00 C ATOM 418 CD PRO A 27 -13.593 0.041 -6.539 1.00 0.00 C ATOM 0 HA PRO A 27 -11.317 -2.012 -7.649 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -12.940 -0.956 -9.640 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -13.583 -2.091 -8.470 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -13.776 0.914 -8.496 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.018 -0.265 -8.121 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.670 1.060 -6.159 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.248 -0.578 -5.926 1.00 0.00 H new ATOM 426 N PRO A 28 -9.921 -0.853 -9.324 1.00 0.00 N ATOM 427 CA PRO A 28 -8.880 -0.175 -10.103 1.00 0.00 C ATOM 428 C PRO A 28 -9.459 0.651 -11.246 1.00 0.00 C ATOM 429 O PRO A 28 -10.097 0.114 -12.151 1.00 0.00 O ATOM 430 CB PRO A 28 -8.038 -1.330 -10.650 1.00 0.00 C ATOM 431 CG PRO A 28 -8.968 -2.493 -10.687 1.00 0.00 C ATOM 432 CD PRO A 28 -9.904 -2.312 -9.523 1.00 0.00 C ATOM 0 HA PRO A 28 -8.314 0.534 -9.499 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -7.650 -1.102 -11.643 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -7.178 -1.531 -10.010 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -9.517 -2.524 -11.628 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.421 -3.433 -10.606 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -10.899 -2.699 -9.743 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -9.548 -2.835 -8.635 1.00 0.00 H new ATOM 440 N GLU A 29 -9.230 1.960 -11.199 1.00 0.00 N ATOM 441 CA GLU A 29 -9.730 2.860 -12.232 1.00 0.00 C ATOM 442 C GLU A 29 -8.635 3.188 -13.244 1.00 0.00 C ATOM 443 O GLU A 29 -7.456 2.935 -13.000 1.00 0.00 O ATOM 444 CB GLU A 29 -10.261 4.149 -11.603 1.00 0.00 C ATOM 445 CG GLU A 29 -9.295 4.791 -10.622 1.00 0.00 C ATOM 446 CD GLU A 29 -9.850 6.059 -10.002 1.00 0.00 C ATOM 447 OE1 GLU A 29 -10.165 7.000 -10.760 1.00 0.00 O ATOM 448 OE2 GLU A 29 -9.969 6.110 -8.760 1.00 0.00 O ATOM 0 H GLU A 29 -8.702 2.420 -10.457 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.544 2.357 -12.754 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.489 4.862 -12.395 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.198 3.933 -11.089 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.058 4.078 -9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.361 5.020 -11.135 1.00 0.00 H new ATOM 455 N GLU A 30 -9.036 3.752 -14.379 1.00 0.00 N ATOM 456 CA GLU A 30 -8.089 4.113 -15.427 1.00 0.00 C ATOM 457 C GLU A 30 -6.789 4.642 -14.828 1.00 0.00 C ATOM 458 O GLU A 30 -5.700 4.193 -15.185 1.00 0.00 O ATOM 459 CB GLU A 30 -8.700 5.165 -16.357 1.00 0.00 C ATOM 460 CG GLU A 30 -9.145 6.427 -15.638 1.00 0.00 C ATOM 461 CD GLU A 30 -9.946 7.355 -16.531 1.00 0.00 C ATOM 462 OE1 GLU A 30 -9.329 8.061 -17.356 1.00 0.00 O ATOM 463 OE2 GLU A 30 -11.188 7.376 -16.404 1.00 0.00 O ATOM 0 H GLU A 30 -10.009 3.968 -14.596 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.864 3.215 -16.003 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.969 5.431 -17.121 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.556 4.729 -16.872 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.747 6.154 -14.771 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.268 6.956 -15.264 1.00 0.00 H new ATOM 470 N VAL A 31 -6.912 5.601 -13.915 1.00 0.00 N ATOM 471 CA VAL A 31 -5.748 6.191 -13.265 1.00 0.00 C ATOM 472 C VAL A 31 -5.359 5.407 -12.017 1.00 0.00 C ATOM 473 O VAL A 31 -6.207 4.800 -11.364 1.00 0.00 O ATOM 474 CB VAL A 31 -6.007 7.659 -12.877 1.00 0.00 C ATOM 475 CG1 VAL A 31 -4.792 8.248 -12.177 1.00 0.00 C ATOM 476 CG2 VAL A 31 -6.374 8.478 -14.105 1.00 0.00 C ATOM 0 H VAL A 31 -7.806 5.985 -13.609 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.930 6.152 -13.984 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.847 7.691 -12.183 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.993 9.286 -11.910 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.579 7.676 -11.274 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.931 8.205 -12.844 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.554 9.512 -13.812 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.556 8.441 -14.825 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.276 8.068 -14.560 1.00 0.00 H new ATOM 486 N GLU A 32 -4.070 5.426 -11.691 1.00 0.00 N ATOM 487 CA GLU A 32 -3.569 4.716 -10.520 1.00 0.00 C ATOM 488 C GLU A 32 -3.493 5.645 -9.312 1.00 0.00 C ATOM 489 O GLU A 32 -3.738 5.230 -8.179 1.00 0.00 O ATOM 490 CB GLU A 32 -2.189 4.123 -10.808 1.00 0.00 C ATOM 491 CG GLU A 32 -1.775 3.038 -9.827 1.00 0.00 C ATOM 492 CD GLU A 32 -0.574 2.246 -10.304 1.00 0.00 C ATOM 493 OE1 GLU A 32 -0.432 2.064 -11.532 1.00 0.00 O ATOM 494 OE2 GLU A 32 0.225 1.809 -9.450 1.00 0.00 O ATOM 0 H GLU A 32 -3.355 5.925 -12.221 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.264 3.908 -10.292 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -2.184 3.710 -11.817 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.448 4.922 -10.787 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -1.546 3.493 -8.864 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.613 2.359 -9.667 1.00 0.00 H new ATOM 501 N SER A 33 -3.152 6.905 -9.562 1.00 0.00 N ATOM 502 CA SER A 33 -3.039 7.893 -8.495 1.00 0.00 C ATOM 503 C SER A 33 -4.378 8.089 -7.792 1.00 0.00 C ATOM 504 O SER A 33 -4.463 8.026 -6.566 1.00 0.00 O ATOM 505 CB SER A 33 -2.544 9.227 -9.057 1.00 0.00 C ATOM 506 OG SER A 33 -3.463 9.757 -9.997 1.00 0.00 O ATOM 0 H SER A 33 -2.949 7.266 -10.494 1.00 0.00 H new ATOM 0 HA SER A 33 -2.317 7.524 -7.766 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.401 9.938 -8.243 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.573 9.087 -9.532 1.00 0.00 H new ATOM 0 HG SER A 33 -3.125 10.610 -10.340 1.00 0.00 H new ATOM 512 N ARG A 34 -5.423 8.328 -8.579 1.00 0.00 N ATOM 513 CA ARG A 34 -6.759 8.535 -8.033 1.00 0.00 C ATOM 514 C ARG A 34 -7.149 7.391 -7.102 1.00 0.00 C ATOM 515 O ARG A 34 -7.611 7.617 -5.984 1.00 0.00 O ATOM 516 CB ARG A 34 -7.781 8.657 -9.164 1.00 0.00 C ATOM 517 CG ARG A 34 -7.797 10.026 -9.826 1.00 0.00 C ATOM 518 CD ARG A 34 -8.507 9.987 -11.170 1.00 0.00 C ATOM 519 NE ARG A 34 -8.264 11.195 -11.953 1.00 0.00 N ATOM 520 CZ ARG A 34 -8.861 11.454 -13.111 1.00 0.00 C ATOM 521 NH1 ARG A 34 -9.733 10.593 -13.617 1.00 0.00 N ATOM 522 NH2 ARG A 34 -8.588 12.576 -13.764 1.00 0.00 N ATOM 0 H ARG A 34 -5.370 8.383 -9.596 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.750 9.461 -7.458 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.567 7.900 -9.919 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.774 8.442 -8.770 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.294 10.742 -9.171 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.774 10.377 -9.964 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.170 9.116 -11.733 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.579 9.868 -11.010 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.599 11.878 -11.591 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.946 9.730 -13.117 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -10.190 10.794 -14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.919 13.241 -13.377 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.047 12.773 -14.653 1.00 0.00 H new ATOM 536 N ARG A 35 -6.960 6.162 -7.571 1.00 0.00 N ATOM 537 CA ARG A 35 -7.293 4.982 -6.782 1.00 0.00 C ATOM 538 C ARG A 35 -6.792 5.129 -5.348 1.00 0.00 C ATOM 539 O ARG A 35 -7.499 4.798 -4.396 1.00 0.00 O ATOM 540 CB ARG A 35 -6.691 3.729 -7.419 1.00 0.00 C ATOM 541 CG ARG A 35 -6.869 2.474 -6.580 1.00 0.00 C ATOM 542 CD ARG A 35 -6.120 1.293 -7.178 1.00 0.00 C ATOM 543 NE ARG A 35 -6.132 0.132 -6.292 1.00 0.00 N ATOM 544 CZ ARG A 35 -5.756 -1.084 -6.670 1.00 0.00 C ATOM 545 NH1 ARG A 35 -5.338 -1.297 -7.910 1.00 0.00 N ATOM 546 NH2 ARG A 35 -5.795 -2.091 -5.806 1.00 0.00 N ATOM 0 H ARG A 35 -6.578 5.957 -8.494 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.378 4.884 -6.761 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.150 3.572 -8.395 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.627 3.894 -7.590 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.511 2.658 -5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -7.929 2.233 -6.504 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.570 1.024 -8.134 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.089 1.583 -7.382 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.446 0.262 -5.330 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -5.305 -0.526 -8.577 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -5.050 -2.232 -8.197 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.114 -1.931 -4.850 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -5.506 -3.025 -6.098 1.00 0.00 H new ATOM 560 N TRP A 36 -5.569 5.624 -5.202 1.00 0.00 N ATOM 561 CA TRP A 36 -4.973 5.814 -3.884 1.00 0.00 C ATOM 562 C TRP A 36 -5.663 6.946 -3.132 1.00 0.00 C ATOM 563 O TRP A 36 -5.833 6.880 -1.915 1.00 0.00 O ATOM 564 CB TRP A 36 -3.478 6.109 -4.016 1.00 0.00 C ATOM 565 CG TRP A 36 -2.796 5.273 -5.056 1.00 0.00 C ATOM 566 CD1 TRP A 36 -1.904 5.701 -5.997 1.00 0.00 C ATOM 567 CD2 TRP A 36 -2.953 3.864 -5.261 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.497 4.644 -6.775 1.00 0.00 N ATOM 569 CE2 TRP A 36 -2.125 3.506 -6.343 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.710 2.871 -4.634 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -2.036 2.198 -6.810 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -3.621 1.573 -5.100 1.00 0.00 C ATOM 573 CH2 TRP A 36 -2.788 1.245 -6.178 1.00 0.00 C ATOM 0 H TRP A 36 -4.970 5.901 -5.980 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.106 4.893 -3.316 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.343 7.162 -4.262 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.996 5.942 -3.053 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.568 6.721 -6.113 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.835 4.698 -7.549 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.353 3.113 -3.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.396 1.944 -7.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.204 0.798 -4.625 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.738 0.221 -6.517 1.00 0.00 H new ATOM 584 N GLN A 37 -6.059 7.982 -3.865 1.00 0.00 N ATOM 585 CA GLN A 37 -6.731 9.129 -3.264 1.00 0.00 C ATOM 586 C GLN A 37 -8.004 8.698 -2.544 1.00 0.00 C ATOM 587 O GLN A 37 -8.232 9.065 -1.391 1.00 0.00 O ATOM 588 CB GLN A 37 -7.064 10.169 -4.335 1.00 0.00 C ATOM 589 CG GLN A 37 -5.973 11.209 -4.534 1.00 0.00 C ATOM 590 CD GLN A 37 -5.998 12.291 -3.472 1.00 0.00 C ATOM 591 OE1 GLN A 37 -5.300 12.053 -2.368 1.00 0.00 O flip ATOM 592 NE2 GLN A 37 -6.637 13.330 -3.643 1.00 0.00 N flip ATOM 0 H GLN A 37 -5.927 8.051 -4.874 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.055 9.573 -2.533 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.245 9.659 -5.281 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.991 10.674 -4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -5.001 10.717 -4.523 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.087 11.667 -5.517 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.160 13.471 -4.508 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.644 14.050 -2.920 1.00 0.00 H new ATOM 601 N LYS A 38 -8.831 7.917 -3.230 1.00 0.00 N ATOM 602 CA LYS A 38 -10.082 7.435 -2.657 1.00 0.00 C ATOM 603 C LYS A 38 -9.822 6.620 -1.393 1.00 0.00 C ATOM 604 O LYS A 38 -10.502 6.794 -0.381 1.00 0.00 O ATOM 605 CB LYS A 38 -10.841 6.584 -3.677 1.00 0.00 C ATOM 606 CG LYS A 38 -11.363 7.378 -4.862 1.00 0.00 C ATOM 607 CD LYS A 38 -11.763 6.468 -6.011 1.00 0.00 C ATOM 608 CE LYS A 38 -12.301 7.262 -7.191 1.00 0.00 C ATOM 609 NZ LYS A 38 -13.772 7.469 -7.096 1.00 0.00 N ATOM 0 H LYS A 38 -8.657 7.604 -4.185 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.689 8.301 -2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.183 5.795 -4.041 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.679 6.096 -3.179 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.222 7.973 -4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.597 8.076 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.901 5.882 -6.329 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.521 5.762 -5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.800 8.229 -7.236 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.067 6.738 -8.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.100 8.014 -7.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.252 6.547 -7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.994 7.991 -6.224 1.00 0.00 H new ATOM 623 N ILE A 39 -8.835 5.734 -1.459 1.00 0.00 N ATOM 624 CA ILE A 39 -8.485 4.895 -0.319 1.00 0.00 C ATOM 625 C ILE A 39 -8.034 5.740 0.867 1.00 0.00 C ATOM 626 O ILE A 39 -8.586 5.636 1.962 1.00 0.00 O ATOM 627 CB ILE A 39 -7.369 3.896 -0.677 1.00 0.00 C ATOM 628 CG1 ILE A 39 -7.911 2.801 -1.599 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.778 3.287 0.585 1.00 0.00 C ATOM 630 CD1 ILE A 39 -6.851 2.170 -2.475 1.00 0.00 C ATOM 0 H ILE A 39 -8.263 5.578 -2.289 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.384 4.341 -0.047 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.579 4.431 -1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.379 2.025 -0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.690 3.224 -2.233 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.991 2.583 0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.360 4.077 1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.559 2.764 1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.306 1.403 -3.102 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.399 2.934 -3.107 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.083 1.717 -1.848 1.00 0.00 H new ATOM 642 N ALA A 40 -7.028 6.578 0.641 1.00 0.00 N ATOM 643 CA ALA A 40 -6.505 7.445 1.690 1.00 0.00 C ATOM 644 C ALA A 40 -7.635 8.123 2.456 1.00 0.00 C ATOM 645 O ALA A 40 -7.684 8.071 3.685 1.00 0.00 O ATOM 646 CB ALA A 40 -5.568 8.486 1.096 1.00 0.00 C ATOM 0 H ALA A 40 -6.559 6.675 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.945 6.827 2.392 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.185 9.126 1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.736 7.986 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.111 9.093 0.371 1.00 0.00 H new ATOM 652 N ASP A 41 -8.541 8.761 1.722 1.00 0.00 N ATOM 653 CA ASP A 41 -9.672 9.450 2.333 1.00 0.00 C ATOM 654 C ASP A 41 -10.175 8.689 3.556 1.00 0.00 C ATOM 655 O ASP A 41 -10.248 9.240 4.654 1.00 0.00 O ATOM 656 CB ASP A 41 -10.804 9.615 1.319 1.00 0.00 C ATOM 657 CG ASP A 41 -11.786 10.699 1.719 1.00 0.00 C ATOM 658 OD1 ASP A 41 -12.141 10.766 2.914 1.00 0.00 O ATOM 659 OD2 ASP A 41 -12.201 11.479 0.836 1.00 0.00 O ATOM 0 H ASP A 41 -8.514 8.815 0.704 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.335 10.436 2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.382 9.854 0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.335 8.669 1.214 1.00 0.00 H new ATOM 664 N GLU A 42 -10.522 7.421 3.357 1.00 0.00 N ATOM 665 CA GLU A 42 -11.021 6.587 4.444 1.00 0.00 C ATOM 666 C GLU A 42 -10.049 6.589 5.621 1.00 0.00 C ATOM 667 O GLU A 42 -10.419 6.931 6.746 1.00 0.00 O ATOM 668 CB GLU A 42 -11.244 5.154 3.956 1.00 0.00 C ATOM 669 CG GLU A 42 -12.595 4.940 3.294 1.00 0.00 C ATOM 670 CD GLU A 42 -13.744 4.998 4.282 1.00 0.00 C ATOM 671 OE1 GLU A 42 -14.218 6.116 4.574 1.00 0.00 O ATOM 672 OE2 GLU A 42 -14.168 3.927 4.763 1.00 0.00 O ATOM 0 H GLU A 42 -10.467 6.950 2.454 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.972 7.002 4.779 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.457 4.893 3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.151 4.473 4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.743 5.698 2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.600 3.972 2.792 1.00 0.00 H new ATOM 679 N LEU A 43 -8.806 6.205 5.355 1.00 0.00 N ATOM 680 CA LEU A 43 -7.780 6.162 6.392 1.00 0.00 C ATOM 681 C LEU A 43 -7.714 7.485 7.148 1.00 0.00 C ATOM 682 O LEU A 43 -7.825 7.518 8.373 1.00 0.00 O ATOM 683 CB LEU A 43 -6.417 5.846 5.775 1.00 0.00 C ATOM 684 CG LEU A 43 -6.240 4.430 5.226 1.00 0.00 C ATOM 685 CD1 LEU A 43 -5.151 4.401 4.165 1.00 0.00 C ATOM 686 CD2 LEU A 43 -5.918 3.458 6.351 1.00 0.00 C ATOM 0 H LEU A 43 -8.484 5.919 4.431 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.044 5.374 7.098 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.234 6.553 4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.650 6.020 6.530 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.177 4.121 4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.039 3.385 3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.424 5.066 3.346 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.208 4.731 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.795 2.455 5.942 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.995 3.764 6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.733 3.457 7.075 1.00 0.00 H new ATOM 698 N GLY A 44 -7.536 8.576 6.409 1.00 0.00 N ATOM 699 CA GLY A 44 -7.461 9.887 7.027 1.00 0.00 C ATOM 700 C GLY A 44 -6.043 10.273 7.397 1.00 0.00 C ATOM 701 O GLY A 44 -5.613 11.397 7.143 1.00 0.00 O ATOM 0 H GLY A 44 -7.442 8.575 5.393 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.870 10.631 6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.083 9.900 7.922 1.00 0.00 H new ATOM 705 N ASN A 45 -5.315 9.339 8.000 1.00 0.00 N ATOM 706 CA ASN A 45 -3.938 9.588 8.409 1.00 0.00 C ATOM 707 C ASN A 45 -2.990 9.487 7.217 1.00 0.00 C ATOM 708 O ASN A 45 -2.120 10.337 7.029 1.00 0.00 O ATOM 709 CB ASN A 45 -3.518 8.595 9.494 1.00 0.00 C ATOM 710 CG ASN A 45 -2.011 8.506 9.644 1.00 0.00 C ATOM 711 OD1 ASN A 45 -1.415 7.454 9.414 1.00 0.00 O ATOM 712 ND2 ASN A 45 -1.389 9.613 10.033 1.00 0.00 N ATOM 0 H ASN A 45 -5.656 8.402 8.216 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.882 10.600 8.811 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.958 8.893 10.446 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.915 7.609 9.254 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.376 9.614 10.152 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.924 10.463 10.212 1.00 0.00 H new ATOM 719 N ARG A 46 -3.167 8.442 6.415 1.00 0.00 N ATOM 720 CA ARG A 46 -2.328 8.229 5.242 1.00 0.00 C ATOM 721 C ARG A 46 -2.802 9.085 4.072 1.00 0.00 C ATOM 722 O ARG A 46 -3.857 9.717 4.137 1.00 0.00 O ATOM 723 CB ARG A 46 -2.337 6.752 4.843 1.00 0.00 C ATOM 724 CG ARG A 46 -1.371 5.898 5.648 1.00 0.00 C ATOM 725 CD ARG A 46 0.072 6.164 5.251 1.00 0.00 C ATOM 726 NE ARG A 46 1.018 5.511 6.152 1.00 0.00 N ATOM 727 CZ ARG A 46 1.332 5.982 7.354 1.00 0.00 C ATOM 728 NH1 ARG A 46 0.779 7.103 7.796 1.00 0.00 N ATOM 729 NH2 ARG A 46 2.202 5.331 8.116 1.00 0.00 N ATOM 0 H ARG A 46 -3.884 7.730 6.556 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.310 8.523 5.497 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.346 6.358 4.965 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.088 6.669 3.785 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.501 6.103 6.711 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.603 4.844 5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.239 5.811 4.233 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.255 7.238 5.250 1.00 0.00 H new ATOM 0 HE ARG A 46 1.462 4.647 5.842 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.110 7.606 7.213 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.022 7.462 8.719 1.00 0.00 H new ATOM 0 HH21 ARG A 46 2.630 4.469 7.779 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.443 5.693 9.039 1.00 0.00 H new ATOM 743 N THR A 47 -2.015 9.103 3.000 1.00 0.00 N ATOM 744 CA THR A 47 -2.353 9.882 1.816 1.00 0.00 C ATOM 745 C THR A 47 -2.048 9.105 0.541 1.00 0.00 C ATOM 746 O THR A 47 -1.239 8.178 0.546 1.00 0.00 O ATOM 747 CB THR A 47 -1.586 11.218 1.785 1.00 0.00 C ATOM 748 OG1 THR A 47 -0.188 10.976 1.594 1.00 0.00 O ATOM 749 CG2 THR A 47 -1.799 11.994 3.076 1.00 0.00 C ATOM 0 H THR A 47 -1.139 8.586 2.928 1.00 0.00 H new ATOM 0 HA THR A 47 -3.423 10.086 1.867 1.00 0.00 H new ATOM 0 HB THR A 47 -1.968 11.812 0.955 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.292 11.830 1.574 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.248 12.933 3.031 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.861 12.202 3.204 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.441 11.403 3.919 1.00 0.00 H new ATOM 757 N ALA A 48 -2.700 9.490 -0.551 1.00 0.00 N ATOM 758 CA ALA A 48 -2.497 8.830 -1.835 1.00 0.00 C ATOM 759 C ALA A 48 -1.053 8.367 -1.991 1.00 0.00 C ATOM 760 O ALA A 48 -0.792 7.197 -2.272 1.00 0.00 O ATOM 761 CB ALA A 48 -2.880 9.763 -2.974 1.00 0.00 C ATOM 0 H ALA A 48 -3.373 10.256 -0.572 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.139 7.950 -1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.723 9.257 -3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.930 10.041 -2.879 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.262 10.660 -2.933 1.00 0.00 H new ATOM 767 N LYS A 49 -0.116 9.291 -1.808 1.00 0.00 N ATOM 768 CA LYS A 49 1.303 8.978 -1.927 1.00 0.00 C ATOM 769 C LYS A 49 1.701 7.876 -0.950 1.00 0.00 C ATOM 770 O LYS A 49 1.993 6.751 -1.356 1.00 0.00 O ATOM 771 CB LYS A 49 2.146 10.230 -1.672 1.00 0.00 C ATOM 772 CG LYS A 49 2.397 11.059 -2.920 1.00 0.00 C ATOM 773 CD LYS A 49 3.673 10.631 -3.625 1.00 0.00 C ATOM 774 CE LYS A 49 3.491 9.307 -4.353 1.00 0.00 C ATOM 775 NZ LYS A 49 3.843 8.147 -3.489 1.00 0.00 N ATOM 0 H LYS A 49 -0.314 10.264 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 49 1.488 8.624 -2.941 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.645 10.850 -0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.104 9.932 -1.245 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.552 10.958 -3.601 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.465 12.113 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.972 11.400 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.479 10.539 -2.897 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.456 9.213 -4.683 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.114 9.296 -5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.508 7.527 -3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.286 8.489 -2.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.981 7.614 -3.256 1.00 0.00 H new ATOM 789 N GLN A 50 1.710 8.208 0.337 1.00 0.00 N ATOM 790 CA GLN A 50 2.071 7.245 1.370 1.00 0.00 C ATOM 791 C GLN A 50 1.444 5.883 1.090 1.00 0.00 C ATOM 792 O GLN A 50 2.015 4.845 1.423 1.00 0.00 O ATOM 793 CB GLN A 50 1.629 7.750 2.745 1.00 0.00 C ATOM 794 CG GLN A 50 2.133 9.147 3.071 1.00 0.00 C ATOM 795 CD GLN A 50 2.035 9.472 4.548 1.00 0.00 C ATOM 796 OE1 GLN A 50 0.972 9.342 5.155 1.00 0.00 O ATOM 797 NE2 GLN A 50 3.147 9.899 5.135 1.00 0.00 N ATOM 0 H GLN A 50 1.472 9.135 0.689 1.00 0.00 H new ATOM 0 HA GLN A 50 3.155 7.133 1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.540 7.746 2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.984 7.057 3.508 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.171 9.239 2.751 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.558 9.878 2.503 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.006 9.992 4.593 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.142 10.134 6.128 1.00 0.00 H new ATOM 806 N VAL A 51 0.266 5.896 0.475 1.00 0.00 N ATOM 807 CA VAL A 51 -0.439 4.662 0.149 1.00 0.00 C ATOM 808 C VAL A 51 0.198 3.965 -1.048 1.00 0.00 C ATOM 809 O VAL A 51 0.321 2.741 -1.073 1.00 0.00 O ATOM 810 CB VAL A 51 -1.925 4.928 -0.157 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.635 3.635 -0.525 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.601 5.599 1.029 1.00 0.00 C ATOM 0 H VAL A 51 -0.220 6.747 0.193 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.366 4.016 1.024 1.00 0.00 H new ATOM 0 HB VAL A 51 -1.987 5.603 -1.011 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.684 3.843 -0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.165 3.200 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.566 2.933 0.306 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.650 5.780 0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.530 4.951 1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.108 6.548 1.240 1.00 0.00 H new ATOM 822 N ALA A 52 0.601 4.753 -2.039 1.00 0.00 N ATOM 823 CA ALA A 52 1.228 4.213 -3.239 1.00 0.00 C ATOM 824 C ALA A 52 2.467 3.395 -2.890 1.00 0.00 C ATOM 825 O ALA A 52 2.631 2.268 -3.358 1.00 0.00 O ATOM 826 CB ALA A 52 1.589 5.337 -4.198 1.00 0.00 C ATOM 0 H ALA A 52 0.504 5.768 -2.034 1.00 0.00 H new ATOM 0 HA ALA A 52 0.512 3.551 -3.726 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.056 4.919 -5.089 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.686 5.878 -4.481 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.284 6.021 -3.711 1.00 0.00 H new ATOM 832 N SER A 53 3.336 3.969 -2.064 1.00 0.00 N ATOM 833 CA SER A 53 4.563 3.294 -1.656 1.00 0.00 C ATOM 834 C SER A 53 4.255 1.932 -1.040 1.00 0.00 C ATOM 835 O SER A 53 4.888 0.932 -1.374 1.00 0.00 O ATOM 836 CB SER A 53 5.335 4.156 -0.655 1.00 0.00 C ATOM 837 OG SER A 53 6.695 3.763 -0.587 1.00 0.00 O ATOM 0 H SER A 53 3.213 4.899 -1.664 1.00 0.00 H new ATOM 0 HA SER A 53 5.177 3.141 -2.544 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.270 5.204 -0.947 1.00 0.00 H new ATOM 0 HB3 SER A 53 4.879 4.071 0.331 1.00 0.00 H new ATOM 0 HG SER A 53 7.167 4.330 0.058 1.00 0.00 H new ATOM 843 N GLN A 54 3.278 1.905 -0.140 1.00 0.00 N ATOM 844 CA GLN A 54 2.885 0.667 0.524 1.00 0.00 C ATOM 845 C GLN A 54 2.378 -0.356 -0.488 1.00 0.00 C ATOM 846 O GLN A 54 2.767 -1.523 -0.455 1.00 0.00 O ATOM 847 CB GLN A 54 1.806 0.944 1.571 1.00 0.00 C ATOM 848 CG GLN A 54 1.804 -0.050 2.721 1.00 0.00 C ATOM 849 CD GLN A 54 3.032 0.075 3.602 1.00 0.00 C ATOM 850 OE1 GLN A 54 3.925 0.878 3.332 1.00 0.00 O ATOM 851 NE2 GLN A 54 3.082 -0.722 4.664 1.00 0.00 N ATOM 0 H GLN A 54 2.744 2.725 0.146 1.00 0.00 H new ATOM 0 HA GLN A 54 3.764 0.256 1.020 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.948 1.948 1.970 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.829 0.929 1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.910 0.102 3.326 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.750 -1.063 2.321 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.319 -1.373 4.850 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.883 -0.683 5.294 1.00 0.00 H new ATOM 860 N VAL A 55 1.506 0.091 -1.387 1.00 0.00 N ATOM 861 CA VAL A 55 0.945 -0.785 -2.409 1.00 0.00 C ATOM 862 C VAL A 55 2.044 -1.536 -3.152 1.00 0.00 C ATOM 863 O VAL A 55 1.909 -2.723 -3.445 1.00 0.00 O ATOM 864 CB VAL A 55 0.101 0.007 -3.425 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.440 -0.917 -4.505 1.00 0.00 C ATOM 866 CG2 VAL A 55 -1.032 0.739 -2.721 1.00 0.00 C ATOM 0 H VAL A 55 1.173 1.054 -1.428 1.00 0.00 H new ATOM 0 HA VAL A 55 0.303 -1.501 -1.895 1.00 0.00 H new ATOM 0 HB VAL A 55 0.741 0.749 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.034 -0.340 -5.214 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.391 -1.390 -5.028 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.065 -1.684 -4.048 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.618 1.293 -3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.673 0.017 -2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.618 1.432 -1.989 1.00 0.00 H new ATOM 876 N GLN A 56 3.132 -0.834 -3.454 1.00 0.00 N ATOM 877 CA GLN A 56 4.255 -1.435 -4.165 1.00 0.00 C ATOM 878 C GLN A 56 4.756 -2.679 -3.438 1.00 0.00 C ATOM 879 O GLN A 56 4.954 -3.730 -4.048 1.00 0.00 O ATOM 880 CB GLN A 56 5.392 -0.423 -4.313 1.00 0.00 C ATOM 881 CG GLN A 56 5.192 0.554 -5.460 1.00 0.00 C ATOM 882 CD GLN A 56 6.283 1.604 -5.530 1.00 0.00 C ATOM 883 OE1 GLN A 56 6.241 2.609 -4.820 1.00 0.00 O ATOM 884 NE2 GLN A 56 7.270 1.375 -6.388 1.00 0.00 N ATOM 0 H GLN A 56 3.260 0.150 -3.218 1.00 0.00 H new ATOM 0 HA GLN A 56 3.910 -1.730 -5.156 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.492 0.137 -3.383 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.328 -0.960 -4.464 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.162 0.003 -6.400 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.226 1.046 -5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.265 0.529 -6.957 1.00 0.00 H new ATOM 0 HE22 GLN A 56 8.033 2.045 -6.478 1.00 0.00 H new ATOM 893 N LYS A 57 4.960 -2.552 -2.131 1.00 0.00 N ATOM 894 CA LYS A 57 5.437 -3.666 -1.319 1.00 0.00 C ATOM 895 C LYS A 57 4.279 -4.556 -0.882 1.00 0.00 C ATOM 896 O LYS A 57 4.346 -5.213 0.157 1.00 0.00 O ATOM 897 CB LYS A 57 6.185 -3.144 -0.091 1.00 0.00 C ATOM 898 CG LYS A 57 7.380 -2.270 -0.431 1.00 0.00 C ATOM 899 CD LYS A 57 7.703 -1.303 0.696 1.00 0.00 C ATOM 900 CE LYS A 57 9.178 -0.933 0.707 1.00 0.00 C ATOM 901 NZ LYS A 57 9.493 0.123 -0.295 1.00 0.00 N ATOM 0 H LYS A 57 4.802 -1.689 -1.611 1.00 0.00 H new ATOM 0 HA LYS A 57 6.119 -4.261 -1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.494 -2.574 0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.524 -3.992 0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.247 -2.900 -0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.175 -1.711 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.101 -0.401 0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.432 -1.753 1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 57 9.458 -0.585 1.701 1.00 0.00 H new ATOM 0 HE3 LYS A 57 9.776 -1.820 0.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.508 0.347 -0.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 9.250 -0.218 -1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.941 0.979 -0.083 1.00 0.00 H new ATOM 915 N TYR A 58 3.218 -4.574 -1.682 1.00 0.00 N ATOM 916 CA TYR A 58 2.044 -5.384 -1.376 1.00 0.00 C ATOM 917 C TYR A 58 1.667 -6.266 -2.563 1.00 0.00 C ATOM 918 O TYR A 58 1.153 -7.371 -2.391 1.00 0.00 O ATOM 919 CB TYR A 58 0.865 -4.487 -0.998 1.00 0.00 C ATOM 920 CG TYR A 58 0.780 -4.190 0.482 1.00 0.00 C ATOM 921 CD1 TYR A 58 1.882 -3.709 1.178 1.00 0.00 C ATOM 922 CD2 TYR A 58 -0.401 -4.391 1.185 1.00 0.00 C ATOM 923 CE1 TYR A 58 1.810 -3.436 2.530 1.00 0.00 C ATOM 924 CE2 TYR A 58 -0.483 -4.120 2.537 1.00 0.00 C ATOM 925 CZ TYR A 58 0.625 -3.643 3.205 1.00 0.00 C ATOM 926 OH TYR A 58 0.548 -3.373 4.552 1.00 0.00 O ATOM 0 H TYR A 58 3.147 -4.037 -2.547 1.00 0.00 H new ATOM 0 HA TYR A 58 2.288 -6.028 -0.531 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.944 -3.547 -1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -0.061 -4.965 -1.318 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.811 -3.546 0.653 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.270 -4.766 0.665 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.676 -3.063 3.056 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.410 -4.281 3.068 1.00 0.00 H new ATOM 0 HH TYR A 58 -0.356 -3.572 4.874 1.00 0.00 H new ATOM 936 N PHE A 59 1.927 -5.769 -3.767 1.00 0.00 N ATOM 937 CA PHE A 59 1.616 -6.510 -4.984 1.00 0.00 C ATOM 938 C PHE A 59 2.892 -6.905 -5.722 1.00 0.00 C ATOM 939 O PHE A 59 3.019 -8.031 -6.204 1.00 0.00 O ATOM 940 CB PHE A 59 0.720 -5.674 -5.901 1.00 0.00 C ATOM 941 CG PHE A 59 -0.623 -5.364 -5.306 1.00 0.00 C ATOM 942 CD1 PHE A 59 -0.723 -4.677 -4.106 1.00 0.00 C ATOM 943 CD2 PHE A 59 -1.787 -5.758 -5.946 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.958 -4.391 -3.556 1.00 0.00 C ATOM 945 CE2 PHE A 59 -3.025 -5.475 -5.401 1.00 0.00 C ATOM 946 CZ PHE A 59 -3.111 -4.789 -4.205 1.00 0.00 C ATOM 0 H PHE A 59 2.352 -4.856 -3.927 1.00 0.00 H new ATOM 0 HA PHE A 59 1.086 -7.419 -4.700 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.228 -4.739 -6.138 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.578 -6.207 -6.841 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.175 -4.362 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.726 -6.293 -6.882 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -2.022 -3.857 -2.620 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.924 -5.790 -5.910 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.077 -4.564 -3.778 1.00 0.00 H new ATOM 956 N ILE A 60 3.832 -5.970 -5.807 1.00 0.00 N ATOM 957 CA ILE A 60 5.098 -6.220 -6.486 1.00 0.00 C ATOM 958 C ILE A 60 5.980 -7.163 -5.675 1.00 0.00 C ATOM 959 O ILE A 60 6.657 -8.029 -6.229 1.00 0.00 O ATOM 960 CB ILE A 60 5.866 -4.910 -6.743 1.00 0.00 C ATOM 961 CG1 ILE A 60 5.015 -3.949 -7.576 1.00 0.00 C ATOM 962 CG2 ILE A 60 7.186 -5.199 -7.443 1.00 0.00 C ATOM 963 CD1 ILE A 60 5.595 -2.555 -7.670 1.00 0.00 C ATOM 0 H ILE A 60 3.741 -5.033 -5.415 1.00 0.00 H new ATOM 0 HA ILE A 60 4.858 -6.685 -7.442 1.00 0.00 H new ATOM 0 HB ILE A 60 6.081 -4.438 -5.784 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.901 -4.355 -8.581 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.017 -3.890 -7.141 1.00 0.00 H new ATOM 0 HG21 ILE A 60 7.717 -4.264 -7.618 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.795 -5.851 -6.817 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.992 -5.690 -8.397 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.940 -1.928 -8.275 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.683 -2.129 -6.670 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.581 -2.602 -8.133 1.00 0.00 H new