USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 553 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 19 ASN : amide:sc= -2.26 K(o=-2.3,f=-6!) USER MOD Set 1.2: A 20 LYS NZ :NH3+ 134:sc= 0.00556 (180deg=-0.105) USER MOD Single : A 17 ASN : amide:sc= -0.0711 K(o=-0.071,f=-0.86) USER MOD Single : A 25 GLN : amide:sc= -0.0666 K(o=-0.067,f=-1.1) USER MOD Single : A 30 THR OG1 : rot 170:sc= 1.33 USER MOD Single : A 31 GLN : amide:sc= -0.175 X(o=-0.17,f=-0.037) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -1.87! C(o=-1.9!,f=-2.6!) USER MOD Single : A 52 SER OG : rot 180:sc= -0.525 USER MOD Single : A 58 TYR OH : rot 130:sc= -1.1 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 CYS SG : rot -125:sc= 0.253 USER MOD Single : A 65 LYS NZ :NH3+ -131:sc= 0.174 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.35 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 140:sc= -1.77 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 8.367 -2.706 1.301 1.00 0.00 N ATOM 69 CA PHE A 8 7.490 -1.762 1.985 1.00 0.00 C ATOM 70 C PHE A 8 6.787 -2.427 3.164 1.00 0.00 C ATOM 71 O PHE A 8 6.641 -3.648 3.203 1.00 0.00 O ATOM 72 CB PHE A 8 6.454 -1.200 1.010 1.00 0.00 C ATOM 73 CG PHE A 8 7.058 -0.585 -0.220 1.00 0.00 C ATOM 74 CD1 PHE A 8 7.753 0.613 -0.143 1.00 0.00 C ATOM 75 CD2 PHE A 8 6.930 -1.202 -1.454 1.00 0.00 C ATOM 76 CE1 PHE A 8 8.308 1.180 -1.273 1.00 0.00 C ATOM 77 CE2 PHE A 8 7.484 -0.639 -2.587 1.00 0.00 C ATOM 78 CZ PHE A 8 8.174 0.554 -2.496 1.00 0.00 C ATOM 0 HA PHE A 8 8.103 -0.945 2.366 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.777 -2.000 0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.853 -0.450 1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.861 1.108 0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.391 -2.134 -1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 8 8.847 2.113 -1.200 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.378 -1.131 -3.543 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.608 0.996 -3.380 1.00 0.00 H new ATOM 88 N ARG A 9 6.356 -1.614 4.123 1.00 0.00 N ATOM 89 CA ARG A 9 5.669 -2.122 5.304 1.00 0.00 C ATOM 90 C ARG A 9 4.275 -1.514 5.425 1.00 0.00 C ATOM 91 O ARG A 9 3.908 -0.621 4.663 1.00 0.00 O ATOM 92 CB ARG A 9 6.482 -1.820 6.564 1.00 0.00 C ATOM 93 CG ARG A 9 7.910 -2.338 6.506 1.00 0.00 C ATOM 94 CD ARG A 9 8.601 -2.219 7.854 1.00 0.00 C ATOM 95 NE ARG A 9 8.569 -3.476 8.598 1.00 0.00 N ATOM 96 CZ ARG A 9 8.776 -3.566 9.911 1.00 0.00 C ATOM 97 NH1 ARG A 9 9.029 -2.477 10.626 1.00 0.00 N ATOM 98 NH2 ARG A 9 8.730 -4.749 10.508 1.00 0.00 N ATOM 0 H ARG A 9 6.471 -0.601 4.105 1.00 0.00 H new ATOM 0 HA ARG A 9 5.567 -3.202 5.198 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.502 -0.742 6.724 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.979 -2.261 7.425 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.907 -3.381 6.188 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.471 -1.778 5.758 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.636 -1.912 7.705 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.118 -1.438 8.441 1.00 0.00 H new ATOM 0 HE ARG A 9 8.377 -4.335 8.082 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.066 -1.565 10.171 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.187 -2.552 11.631 1.00 0.00 H new ATOM 0 HH21 ARG A 9 8.536 -5.589 9.962 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.888 -4.819 11.513 1.00 0.00 H new ATOM 112 N VAL A 10 3.503 -2.005 6.390 1.00 0.00 N ATOM 113 CA VAL A 10 2.149 -1.509 6.611 1.00 0.00 C ATOM 114 C VAL A 10 2.166 -0.177 7.355 1.00 0.00 C ATOM 115 O VAL A 10 2.876 -0.019 8.348 1.00 0.00 O ATOM 116 CB VAL A 10 1.305 -2.519 7.410 1.00 0.00 C ATOM 117 CG1 VAL A 10 -0.151 -2.080 7.458 1.00 0.00 C ATOM 118 CG2 VAL A 10 1.430 -3.912 6.812 1.00 0.00 C ATOM 0 H VAL A 10 3.791 -2.745 7.030 1.00 0.00 H new ATOM 0 HA VAL A 10 1.699 -1.368 5.628 1.00 0.00 H new ATOM 0 HB VAL A 10 1.684 -2.552 8.431 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.731 -2.806 8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.221 -1.104 7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.545 -2.015 6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.827 -4.612 7.390 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.080 -3.898 5.780 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.473 -4.226 6.837 1.00 0.00 H new ATOM 128 N GLY A 11 1.381 0.777 6.868 1.00 0.00 N ATOM 129 CA GLY A 11 1.320 2.082 7.499 1.00 0.00 C ATOM 130 C GLY A 11 2.230 3.094 6.827 1.00 0.00 C ATOM 131 O GLY A 11 1.933 4.288 6.808 1.00 0.00 O ATOM 0 H GLY A 11 0.785 0.670 6.047 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.293 2.447 7.473 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.598 1.988 8.549 1.00 0.00 H new ATOM 135 N GLU A 12 3.339 2.614 6.275 1.00 0.00 N ATOM 136 CA GLU A 12 4.294 3.483 5.598 1.00 0.00 C ATOM 137 C GLU A 12 3.677 4.098 4.345 1.00 0.00 C ATOM 138 O GLU A 12 2.518 3.839 4.021 1.00 0.00 O ATOM 139 CB GLU A 12 5.555 2.701 5.229 1.00 0.00 C ATOM 140 CG GLU A 12 6.309 2.159 6.432 1.00 0.00 C ATOM 141 CD GLU A 12 7.785 1.954 6.152 1.00 0.00 C ATOM 142 OE1 GLU A 12 8.439 2.908 5.683 1.00 0.00 O ATOM 143 OE2 GLU A 12 8.287 0.837 6.401 1.00 0.00 O ATOM 0 H GLU A 12 3.599 1.628 6.283 1.00 0.00 H new ATOM 0 HA GLU A 12 4.562 4.288 6.282 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.280 1.870 4.579 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.219 3.348 4.656 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.194 2.848 7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.866 1.211 6.737 1.00 0.00 H new ATOM 150 N ARG A 13 4.460 4.912 3.645 1.00 0.00 N ATOM 151 CA ARG A 13 3.990 5.564 2.427 1.00 0.00 C ATOM 152 C ARG A 13 4.631 4.938 1.193 1.00 0.00 C ATOM 153 O ARG A 13 5.797 4.541 1.220 1.00 0.00 O ATOM 154 CB ARG A 13 4.299 7.061 2.474 1.00 0.00 C ATOM 155 CG ARG A 13 3.379 7.899 1.600 1.00 0.00 C ATOM 156 CD ARG A 13 2.418 8.730 2.436 1.00 0.00 C ATOM 157 NE ARG A 13 2.963 10.048 2.751 1.00 0.00 N ATOM 158 CZ ARG A 13 2.976 11.069 1.896 1.00 0.00 C ATOM 159 NH1 ARG A 13 2.473 10.928 0.675 1.00 0.00 N ATOM 160 NH2 ARG A 13 3.492 12.234 2.262 1.00 0.00 N ATOM 0 H ARG A 13 5.422 5.136 3.899 1.00 0.00 H new ATOM 0 HA ARG A 13 2.911 5.425 2.363 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.222 7.407 3.505 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.330 7.221 2.160 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.976 8.557 0.969 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.813 7.246 0.935 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.477 8.846 1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.192 8.201 3.362 1.00 0.00 H new ATOM 0 HE ARG A 13 3.357 10.195 3.680 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.074 10.034 0.388 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.486 11.713 0.024 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.879 12.349 3.199 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.502 13.016 1.607 1.00 0.00 H new ATOM 174 N VAL A 14 3.864 4.854 0.112 1.00 0.00 N ATOM 175 CA VAL A 14 4.356 4.278 -1.133 1.00 0.00 C ATOM 176 C VAL A 14 3.915 5.107 -2.334 1.00 0.00 C ATOM 177 O VAL A 14 3.227 6.118 -2.184 1.00 0.00 O ATOM 178 CB VAL A 14 3.866 2.830 -1.315 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.622 1.888 -0.392 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.367 2.739 -1.070 1.00 0.00 C ATOM 0 H VAL A 14 2.898 5.178 0.073 1.00 0.00 H new ATOM 0 HA VAL A 14 5.444 4.280 -1.073 1.00 0.00 H new ATOM 0 HB VAL A 14 4.063 2.527 -2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.261 0.870 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.687 1.931 -0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.461 2.187 0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.038 1.708 -1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.144 3.062 -0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.843 3.381 -1.778 1.00 0.00 H new ATOM 190 N TRP A 15 4.316 4.676 -3.525 1.00 0.00 N ATOM 191 CA TRP A 15 3.962 5.381 -4.752 1.00 0.00 C ATOM 192 C TRP A 15 3.405 4.415 -5.793 1.00 0.00 C ATOM 193 O TRP A 15 4.154 3.676 -6.433 1.00 0.00 O ATOM 194 CB TRP A 15 5.183 6.111 -5.316 1.00 0.00 C ATOM 195 CG TRP A 15 5.099 7.601 -5.180 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.859 8.502 -6.176 1.00 0.00 C ATOM 197 CD2 TRP A 15 5.256 8.364 -3.977 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.857 9.779 -5.667 1.00 0.00 N ATOM 199 CE2 TRP A 15 5.097 9.720 -4.320 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.513 8.031 -2.645 1.00 0.00 C ATOM 201 CZ2 TRP A 15 5.190 10.741 -3.377 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.605 9.046 -1.710 1.00 0.00 C ATOM 203 CH2 TRP A 15 5.443 10.386 -2.081 1.00 0.00 C ATOM 0 H TRP A 15 4.886 3.842 -3.667 1.00 0.00 H new ATOM 0 HA TRP A 15 3.190 6.112 -4.512 1.00 0.00 H new ATOM 0 HB2 TRP A 15 6.078 5.756 -4.804 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.296 5.855 -6.370 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.695 8.249 -7.213 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.702 10.632 -6.205 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.638 6.999 -2.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.067 11.776 -3.659 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.805 8.801 -0.677 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.519 11.156 -1.327 1.00 0.00 H new ATOM 214 N VAL A 16 2.085 4.427 -5.960 1.00 0.00 N ATOM 215 CA VAL A 16 1.429 3.552 -6.925 1.00 0.00 C ATOM 216 C VAL A 16 1.620 4.069 -8.347 1.00 0.00 C ATOM 217 O VAL A 16 1.500 5.266 -8.606 1.00 0.00 O ATOM 218 CB VAL A 16 -0.079 3.424 -6.633 1.00 0.00 C ATOM 219 CG1 VAL A 16 -0.711 2.381 -7.541 1.00 0.00 C ATOM 220 CG2 VAL A 16 -0.314 3.081 -5.169 1.00 0.00 C ATOM 0 H VAL A 16 1.450 5.033 -5.440 1.00 0.00 H new ATOM 0 HA VAL A 16 1.892 2.570 -6.832 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.552 4.385 -6.836 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.776 2.304 -7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.576 2.675 -8.582 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.235 1.415 -7.372 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.385 2.995 -4.983 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.172 2.134 -4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.102 3.868 -4.540 1.00 0.00 H new ATOM 230 N ASN A 17 1.920 3.156 -9.267 1.00 0.00 N ATOM 231 CA ASN A 17 2.129 3.520 -10.664 1.00 0.00 C ATOM 232 C ASN A 17 3.232 4.569 -10.802 1.00 0.00 C ATOM 233 O ASN A 17 3.289 5.295 -11.794 1.00 0.00 O ATOM 234 CB ASN A 17 0.829 4.047 -11.276 1.00 0.00 C ATOM 235 CG ASN A 17 0.097 2.990 -12.080 1.00 0.00 C ATOM 236 OD1 ASN A 17 0.278 1.792 -11.861 1.00 0.00 O ATOM 237 ND2 ASN A 17 -0.732 3.429 -13.019 1.00 0.00 N ATOM 0 H ASN A 17 2.024 2.161 -9.070 1.00 0.00 H new ATOM 0 HA ASN A 17 2.440 2.624 -11.201 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.178 4.410 -10.481 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.053 4.898 -11.919 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -1.250 2.764 -13.594 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.851 4.431 -13.166 1.00 0.00 H new ATOM 244 N GLY A 18 4.105 4.642 -9.801 1.00 0.00 N ATOM 245 CA GLY A 18 5.193 5.602 -9.831 1.00 0.00 C ATOM 246 C GLY A 18 4.712 7.028 -10.021 1.00 0.00 C ATOM 247 O GLY A 18 5.403 7.846 -10.628 1.00 0.00 O ATOM 0 H GLY A 18 4.078 4.052 -8.969 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.757 5.534 -8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.878 5.343 -10.639 1.00 0.00 H new ATOM 251 N ASN A 19 3.524 7.328 -9.502 1.00 0.00 N ATOM 252 CA ASN A 19 2.957 8.667 -9.622 1.00 0.00 C ATOM 253 C ASN A 19 1.631 8.770 -8.875 1.00 0.00 C ATOM 254 O ASN A 19 0.705 9.446 -9.324 1.00 0.00 O ATOM 255 CB ASN A 19 2.754 9.028 -11.094 1.00 0.00 C ATOM 256 CG ASN A 19 1.983 7.964 -11.850 1.00 0.00 C ATOM 257 OD1 ASN A 19 0.891 7.567 -11.443 1.00 0.00 O ATOM 258 ND2 ASN A 19 2.548 7.496 -12.957 1.00 0.00 N ATOM 0 H ASN A 19 2.938 6.664 -8.996 1.00 0.00 H new ATOM 0 HA ASN A 19 3.659 9.370 -9.175 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.221 9.976 -11.162 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.725 9.174 -11.567 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.075 6.779 -13.507 1.00 0.00 H new ATOM 0 HD22 ASN A 19 3.455 7.854 -13.257 1.00 0.00 H new ATOM 265 N LYS A 20 1.546 8.100 -7.729 1.00 0.00 N ATOM 266 CA LYS A 20 0.332 8.120 -6.920 1.00 0.00 C ATOM 267 C LYS A 20 0.637 7.743 -5.471 1.00 0.00 C ATOM 268 O LYS A 20 0.609 6.567 -5.110 1.00 0.00 O ATOM 269 CB LYS A 20 -0.710 7.162 -7.500 1.00 0.00 C ATOM 270 CG LYS A 20 -1.250 7.594 -8.852 1.00 0.00 C ATOM 271 CD LYS A 20 -2.433 6.741 -9.280 1.00 0.00 C ATOM 272 CE LYS A 20 -3.160 7.352 -10.467 1.00 0.00 C ATOM 273 NZ LYS A 20 -2.242 7.601 -11.613 1.00 0.00 N ATOM 0 H LYS A 20 2.303 7.537 -7.340 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.069 9.134 -6.937 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.266 6.171 -7.596 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.540 7.073 -6.799 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.553 8.640 -8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.460 7.523 -9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.087 5.741 -9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.125 6.632 -8.445 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.963 6.686 -10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.625 8.290 -10.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.684 7.263 -12.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.053 8.621 -11.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.347 7.094 -11.458 1.00 0.00 H new ATOM 287 N PRO A 21 0.933 8.741 -4.619 1.00 0.00 N ATOM 288 CA PRO A 21 1.242 8.504 -3.205 1.00 0.00 C ATOM 289 C PRO A 21 0.025 8.033 -2.417 1.00 0.00 C ATOM 290 O PRO A 21 -1.110 8.377 -2.746 1.00 0.00 O ATOM 291 CB PRO A 21 1.704 9.876 -2.706 1.00 0.00 C ATOM 292 CG PRO A 21 1.057 10.852 -3.625 1.00 0.00 C ATOM 293 CD PRO A 21 0.989 10.173 -4.965 1.00 0.00 C ATOM 0 HA PRO A 21 1.985 7.717 -3.077 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.400 10.044 -1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.790 9.963 -2.737 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.061 11.120 -3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.634 11.775 -3.684 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.110 10.485 -5.529 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.860 10.405 -5.578 1.00 0.00 H new ATOM 301 N GLY A 22 0.270 7.244 -1.376 1.00 0.00 N ATOM 302 CA GLY A 22 -0.817 6.738 -0.557 1.00 0.00 C ATOM 303 C GLY A 22 -0.323 6.005 0.674 1.00 0.00 C ATOM 304 O GLY A 22 0.794 5.491 0.693 1.00 0.00 O ATOM 0 H GLY A 22 1.201 6.946 -1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.454 7.568 -0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.434 6.066 -1.153 1.00 0.00 H new ATOM 308 N PHE A 23 -1.159 5.958 1.708 1.00 0.00 N ATOM 309 CA PHE A 23 -0.801 5.284 2.950 1.00 0.00 C ATOM 310 C PHE A 23 -1.218 3.817 2.912 1.00 0.00 C ATOM 311 O PHE A 23 -2.349 3.492 2.551 1.00 0.00 O ATOM 312 CB PHE A 23 -1.459 5.982 4.142 1.00 0.00 C ATOM 313 CG PHE A 23 -0.782 7.264 4.535 1.00 0.00 C ATOM 314 CD1 PHE A 23 0.432 7.246 5.201 1.00 0.00 C ATOM 315 CD2 PHE A 23 -1.362 8.488 4.237 1.00 0.00 C ATOM 316 CE1 PHE A 23 1.057 8.424 5.563 1.00 0.00 C ATOM 317 CE2 PHE A 23 -0.742 9.669 4.596 1.00 0.00 C ATOM 318 CZ PHE A 23 0.469 9.637 5.261 1.00 0.00 C ATOM 0 H PHE A 23 -2.088 6.379 1.709 1.00 0.00 H new ATOM 0 HA PHE A 23 0.282 5.333 3.062 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.501 6.190 3.901 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.459 5.304 4.995 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.896 6.300 5.440 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.309 8.518 3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.004 8.396 6.081 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -1.203 10.616 4.357 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.955 10.559 5.544 1.00 0.00 H new ATOM 328 N ILE A 24 -0.297 2.935 3.284 1.00 0.00 N ATOM 329 CA ILE A 24 -0.568 1.503 3.292 1.00 0.00 C ATOM 330 C ILE A 24 -1.322 1.093 4.553 1.00 0.00 C ATOM 331 O ILE A 24 -0.911 1.416 5.668 1.00 0.00 O ATOM 332 CB ILE A 24 0.733 0.684 3.196 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.606 1.205 2.054 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.417 -0.791 3.000 1.00 0.00 C ATOM 335 CD1 ILE A 24 2.929 0.483 1.926 1.00 0.00 C ATOM 0 H ILE A 24 0.645 3.187 3.584 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.185 1.293 2.418 1.00 0.00 H new ATOM 0 HB ILE A 24 1.285 0.796 4.129 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.058 1.111 1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.795 2.268 2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.346 -1.357 2.934 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.169 -1.153 3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.153 -0.922 2.080 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.495 0.905 1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.497 0.599 2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.749 -0.576 1.741 1.00 0.00 H new ATOM 347 N GLN A 25 -2.429 0.379 4.369 1.00 0.00 N ATOM 348 CA GLN A 25 -3.241 -0.076 5.491 1.00 0.00 C ATOM 349 C GLN A 25 -3.222 -1.597 5.597 1.00 0.00 C ATOM 350 O GLN A 25 -2.934 -2.152 6.658 1.00 0.00 O ATOM 351 CB GLN A 25 -4.681 0.416 5.338 1.00 0.00 C ATOM 352 CG GLN A 25 -4.798 1.925 5.195 1.00 0.00 C ATOM 353 CD GLN A 25 -4.173 2.670 6.358 1.00 0.00 C ATOM 354 OE1 GLN A 25 -3.030 3.123 6.278 1.00 0.00 O ATOM 355 NE2 GLN A 25 -4.921 2.801 7.447 1.00 0.00 N ATOM 0 H GLN A 25 -2.783 0.104 3.453 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.816 0.339 6.405 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.127 -0.059 4.464 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.259 0.096 6.205 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.317 2.237 4.268 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.850 2.198 5.116 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.863 2.410 7.469 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.554 3.293 8.262 1.00 0.00 H new ATOM 364 N PHE A 26 -3.530 -2.266 4.491 1.00 0.00 N ATOM 365 CA PHE A 26 -3.548 -3.724 4.459 1.00 0.00 C ATOM 366 C PHE A 26 -2.490 -4.263 3.502 1.00 0.00 C ATOM 367 O PHE A 26 -2.197 -3.649 2.475 1.00 0.00 O ATOM 368 CB PHE A 26 -4.933 -4.226 4.043 1.00 0.00 C ATOM 369 CG PHE A 26 -5.130 -5.698 4.267 1.00 0.00 C ATOM 370 CD1 PHE A 26 -5.522 -6.177 5.507 1.00 0.00 C ATOM 371 CD2 PHE A 26 -4.927 -6.602 3.238 1.00 0.00 C ATOM 372 CE1 PHE A 26 -5.706 -7.530 5.716 1.00 0.00 C ATOM 373 CE2 PHE A 26 -5.110 -7.956 3.440 1.00 0.00 C ATOM 374 CZ PHE A 26 -5.499 -8.421 4.680 1.00 0.00 C ATOM 0 H PHE A 26 -3.771 -1.822 3.605 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.321 -4.088 5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.692 -3.677 4.600 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -5.089 -4.003 2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.686 -5.484 6.319 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.622 -6.244 2.266 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.011 -7.891 6.687 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.949 -8.650 2.629 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.641 -9.479 4.840 1.00 0.00 H new ATOM 384 N LEU A 27 -1.922 -5.413 3.844 1.00 0.00 N ATOM 385 CA LEU A 27 -0.896 -6.037 3.016 1.00 0.00 C ATOM 386 C LEU A 27 -1.068 -7.552 2.988 1.00 0.00 C ATOM 387 O LEU A 27 -0.818 -8.233 3.982 1.00 0.00 O ATOM 388 CB LEU A 27 0.498 -5.675 3.534 1.00 0.00 C ATOM 389 CG LEU A 27 1.244 -4.625 2.708 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.567 -4.269 3.368 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.471 -5.128 1.290 1.00 0.00 C ATOM 0 H LEU A 27 -2.155 -5.933 4.690 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.004 -5.660 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.405 -5.311 4.557 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.102 -6.582 3.571 1.00 0.00 H new ATOM 0 HG LEU A 27 0.632 -3.724 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.084 -3.521 2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.380 -3.868 4.364 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.186 -5.162 3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.003 -4.369 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.063 -6.043 1.319 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.510 -5.333 0.818 1.00 0.00 H new ATOM 403 N GLY A 28 -1.497 -8.074 1.844 1.00 0.00 N ATOM 404 CA GLY A 28 -1.695 -9.505 1.710 1.00 0.00 C ATOM 405 C GLY A 28 -2.586 -9.860 0.535 1.00 0.00 C ATOM 406 O GLY A 28 -3.052 -8.979 -0.188 1.00 0.00 O ATOM 0 H GLY A 28 -1.711 -7.532 1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.728 -9.993 1.589 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.136 -9.895 2.627 1.00 0.00 H new ATOM 410 N GLU A 29 -2.824 -11.153 0.344 1.00 0.00 N ATOM 411 CA GLU A 29 -3.665 -11.622 -0.751 1.00 0.00 C ATOM 412 C GLU A 29 -5.132 -11.307 -0.482 1.00 0.00 C ATOM 413 O GLU A 29 -5.561 -11.231 0.669 1.00 0.00 O ATOM 414 CB GLU A 29 -3.484 -13.127 -0.955 1.00 0.00 C ATOM 415 CG GLU A 29 -3.577 -13.932 0.332 1.00 0.00 C ATOM 416 CD GLU A 29 -4.590 -15.056 0.247 1.00 0.00 C ATOM 417 OE1 GLU A 29 -4.261 -16.109 -0.340 1.00 0.00 O ATOM 418 OE2 GLU A 29 -5.713 -14.886 0.767 1.00 0.00 O ATOM 0 H GLU A 29 -2.446 -11.895 0.933 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.360 -11.101 -1.658 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.242 -13.484 -1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.514 -13.308 -1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.597 -14.348 0.567 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.846 -13.267 1.153 1.00 0.00 H new ATOM 425 N THR A 30 -5.898 -11.124 -1.553 1.00 0.00 N ATOM 426 CA THR A 30 -7.318 -10.817 -1.432 1.00 0.00 C ATOM 427 C THR A 30 -8.169 -12.043 -1.753 1.00 0.00 C ATOM 428 O THR A 30 -7.643 -13.128 -1.999 1.00 0.00 O ATOM 429 CB THR A 30 -7.693 -9.663 -2.365 1.00 0.00 C ATOM 430 OG1 THR A 30 -7.518 -10.037 -3.720 1.00 0.00 O ATOM 431 CG2 THR A 30 -6.877 -8.412 -2.124 1.00 0.00 C ATOM 0 H THR A 30 -5.559 -11.183 -2.513 1.00 0.00 H new ATOM 0 HA THR A 30 -7.514 -10.521 -0.402 1.00 0.00 H new ATOM 0 HB THR A 30 -8.738 -9.443 -2.149 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.908 -9.351 -4.302 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.192 -7.633 -2.818 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.029 -8.070 -1.100 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.821 -8.631 -2.280 1.00 0.00 H new ATOM 439 N GLN A 31 -9.485 -11.861 -1.746 1.00 0.00 N ATOM 440 CA GLN A 31 -10.409 -12.952 -2.035 1.00 0.00 C ATOM 441 C GLN A 31 -10.837 -12.929 -3.499 1.00 0.00 C ATOM 442 O GLN A 31 -11.002 -13.977 -4.124 1.00 0.00 O ATOM 443 CB GLN A 31 -11.638 -12.861 -1.129 1.00 0.00 C ATOM 444 CG GLN A 31 -11.312 -12.979 0.351 1.00 0.00 C ATOM 445 CD GLN A 31 -11.566 -14.372 0.894 1.00 0.00 C ATOM 446 OE1 GLN A 31 -10.673 -15.003 1.459 1.00 0.00 O ATOM 447 NE2 GLN A 31 -12.789 -14.860 0.725 1.00 0.00 N ATOM 0 H GLN A 31 -9.936 -10.969 -1.543 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.894 -13.893 -1.841 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.141 -11.911 -1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.340 -13.649 -1.402 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.267 -12.715 0.511 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.911 -12.260 0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.499 -14.303 0.251 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.018 -15.792 1.069 1.00 0.00 H new ATOM 456 N PHE A 32 -11.017 -11.728 -4.039 1.00 0.00 N ATOM 457 CA PHE A 32 -11.427 -11.570 -5.429 1.00 0.00 C ATOM 458 C PHE A 32 -10.327 -12.037 -6.378 1.00 0.00 C ATOM 459 O PHE A 32 -10.605 -12.518 -7.476 1.00 0.00 O ATOM 460 CB PHE A 32 -11.780 -10.110 -5.716 1.00 0.00 C ATOM 461 CG PHE A 32 -10.647 -9.156 -5.466 1.00 0.00 C ATOM 462 CD1 PHE A 32 -10.474 -8.578 -4.218 1.00 0.00 C ATOM 463 CD2 PHE A 32 -9.756 -8.836 -6.477 1.00 0.00 C ATOM 464 CE1 PHE A 32 -9.432 -7.700 -3.984 1.00 0.00 C ATOM 465 CE2 PHE A 32 -8.713 -7.959 -6.250 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.551 -7.389 -5.002 1.00 0.00 C ATOM 0 H PHE A 32 -10.885 -10.851 -3.535 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.309 -12.188 -5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.097 -10.019 -6.755 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.630 -9.822 -5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -11.161 -8.816 -3.419 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.878 -9.278 -7.455 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -9.307 -7.258 -3.007 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.025 -7.719 -7.047 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.737 -6.702 -4.822 1.00 0.00 H new ATOM 476 N ALA A 33 -9.078 -11.892 -5.946 1.00 0.00 N ATOM 477 CA ALA A 33 -7.938 -12.300 -6.757 1.00 0.00 C ATOM 478 C ALA A 33 -6.782 -12.777 -5.881 1.00 0.00 C ATOM 479 O ALA A 33 -6.510 -12.196 -4.830 1.00 0.00 O ATOM 480 CB ALA A 33 -7.488 -11.152 -7.648 1.00 0.00 C ATOM 0 H ALA A 33 -8.831 -11.495 -5.039 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.250 -13.134 -7.386 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.636 -11.470 -8.249 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.306 -10.860 -8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.199 -10.303 -7.029 1.00 0.00 H new ATOM 486 N PRO A 34 -6.083 -13.847 -6.300 1.00 0.00 N ATOM 487 CA PRO A 34 -4.955 -14.397 -5.544 1.00 0.00 C ATOM 488 C PRO A 34 -3.698 -13.545 -5.678 1.00 0.00 C ATOM 489 O PRO A 34 -3.715 -12.489 -6.312 1.00 0.00 O ATOM 490 CB PRO A 34 -4.742 -15.768 -6.184 1.00 0.00 C ATOM 491 CG PRO A 34 -5.208 -15.601 -7.590 1.00 0.00 C ATOM 492 CD PRO A 34 -6.338 -14.606 -7.541 1.00 0.00 C ATOM 0 HA PRO A 34 -5.158 -14.436 -4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.694 -16.065 -6.146 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.311 -16.540 -5.666 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.400 -15.242 -8.228 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.544 -16.552 -8.005 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.337 -13.955 -8.416 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.308 -15.103 -7.514 1.00 0.00 H new ATOM 500 N GLY A 35 -2.607 -14.010 -5.077 1.00 0.00 N ATOM 501 CA GLY A 35 -1.355 -13.280 -5.142 1.00 0.00 C ATOM 502 C GLY A 35 -1.219 -12.263 -4.026 1.00 0.00 C ATOM 503 O GLY A 35 -2.214 -11.850 -3.428 1.00 0.00 O ATOM 0 H GLY A 35 -2.568 -14.880 -4.546 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.524 -13.984 -5.091 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.284 -12.772 -6.104 1.00 0.00 H new ATOM 507 N GLN A 36 0.014 -11.856 -3.745 1.00 0.00 N ATOM 508 CA GLN A 36 0.277 -10.880 -2.694 1.00 0.00 C ATOM 509 C GLN A 36 -0.139 -9.481 -3.134 1.00 0.00 C ATOM 510 O GLN A 36 0.543 -8.844 -3.939 1.00 0.00 O ATOM 511 CB GLN A 36 1.761 -10.890 -2.320 1.00 0.00 C ATOM 512 CG GLN A 36 2.288 -12.270 -1.963 1.00 0.00 C ATOM 513 CD GLN A 36 2.766 -12.360 -0.527 1.00 0.00 C ATOM 514 OE1 GLN A 36 3.917 -12.048 -0.222 1.00 0.00 O ATOM 515 NE2 GLN A 36 1.881 -12.788 0.366 1.00 0.00 N ATOM 0 H GLN A 36 0.848 -12.187 -4.231 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.313 -11.156 -1.820 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.340 -10.493 -3.154 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.919 -10.220 -1.475 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.503 -13.008 -2.127 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.110 -12.525 -2.632 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.937 -13.036 0.070 1.00 0.00 H new ATOM 0 HE22 GLN A 36 2.145 -12.868 1.348 1.00 0.00 H new ATOM 524 N TRP A 37 -1.261 -9.007 -2.602 1.00 0.00 N ATOM 525 CA TRP A 37 -1.768 -7.683 -2.941 1.00 0.00 C ATOM 526 C TRP A 37 -1.346 -6.655 -1.896 1.00 0.00 C ATOM 527 O TRP A 37 -0.988 -7.009 -0.773 1.00 0.00 O ATOM 528 CB TRP A 37 -3.293 -7.713 -3.058 1.00 0.00 C ATOM 529 CG TRP A 37 -3.780 -8.428 -4.281 1.00 0.00 C ATOM 530 CD1 TRP A 37 -4.091 -9.753 -4.387 1.00 0.00 C ATOM 531 CD2 TRP A 37 -4.011 -7.857 -5.574 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.501 -10.040 -5.666 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.461 -8.893 -6.414 1.00 0.00 C ATOM 534 CE3 TRP A 37 -3.882 -6.569 -6.102 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -4.781 -8.681 -7.752 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -4.200 -6.360 -7.431 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.645 -7.411 -8.243 1.00 0.00 C ATOM 0 H TRP A 37 -1.836 -9.521 -1.934 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.343 -7.393 -3.902 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.709 -8.196 -2.174 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.670 -6.690 -3.069 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -4.024 -10.471 -3.583 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.789 -10.958 -6.004 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.540 -5.752 -5.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.124 -9.490 -8.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.104 -5.369 -7.850 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.886 -7.215 -9.277 1.00 0.00 H new ATOM 548 N ALA A 38 -1.391 -5.382 -2.274 1.00 0.00 N ATOM 549 CA ALA A 38 -1.014 -4.302 -1.370 1.00 0.00 C ATOM 550 C ALA A 38 -2.121 -3.260 -1.266 1.00 0.00 C ATOM 551 O ALA A 38 -2.491 -2.630 -2.257 1.00 0.00 O ATOM 552 CB ALA A 38 0.281 -3.653 -1.835 1.00 0.00 C ATOM 0 H ALA A 38 -1.685 -5.073 -3.201 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.859 -4.729 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.551 -2.848 -1.151 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.076 -4.398 -1.850 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.145 -3.247 -2.837 1.00 0.00 H new ATOM 558 N GLY A 39 -2.647 -3.082 -0.058 1.00 0.00 N ATOM 559 CA GLY A 39 -3.707 -2.113 0.153 1.00 0.00 C ATOM 560 C GLY A 39 -3.173 -0.742 0.523 1.00 0.00 C ATOM 561 O GLY A 39 -2.562 -0.571 1.578 1.00 0.00 O ATOM 0 H GLY A 39 -2.358 -3.591 0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.308 -2.033 -0.753 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.368 -2.468 0.944 1.00 0.00 H new ATOM 565 N ILE A 40 -3.402 0.235 -0.349 1.00 0.00 N ATOM 566 CA ILE A 40 -2.939 1.596 -0.108 1.00 0.00 C ATOM 567 C ILE A 40 -4.100 2.584 -0.131 1.00 0.00 C ATOM 568 O ILE A 40 -5.157 2.302 -0.696 1.00 0.00 O ATOM 569 CB ILE A 40 -1.894 2.027 -1.156 1.00 0.00 C ATOM 570 CG1 ILE A 40 -0.813 0.954 -1.307 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.275 3.363 -0.767 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.595 0.514 -2.740 1.00 0.00 C ATOM 0 H ILE A 40 -3.905 0.109 -1.228 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.478 1.603 0.880 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.394 2.146 -2.117 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.126 1.336 -0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.087 0.087 -0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.539 3.655 -1.516 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.055 4.122 -0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.788 3.269 0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.184 -0.247 -2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.522 0.102 -3.139 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.290 1.371 -3.341 1.00 0.00 H new ATOM 584 N VAL A 41 -3.896 3.743 0.487 1.00 0.00 N ATOM 585 CA VAL A 41 -4.926 4.774 0.537 1.00 0.00 C ATOM 586 C VAL A 41 -4.487 6.027 -0.211 1.00 0.00 C ATOM 587 O VAL A 41 -3.562 6.722 0.211 1.00 0.00 O ATOM 588 CB VAL A 41 -5.271 5.154 1.990 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.478 6.078 2.029 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.520 3.905 2.823 1.00 0.00 C ATOM 0 H VAL A 41 -3.027 3.992 0.960 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.812 4.358 0.057 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.422 5.686 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.706 6.335 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.259 6.987 1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.336 5.575 1.583 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.762 4.192 3.846 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.352 3.344 2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.625 3.283 2.823 1.00 0.00 H new ATOM 600 N LEU A 42 -5.155 6.311 -1.324 1.00 0.00 N ATOM 601 CA LEU A 42 -4.833 7.482 -2.131 1.00 0.00 C ATOM 602 C LEU A 42 -5.183 8.768 -1.390 1.00 0.00 C ATOM 603 O LEU A 42 -6.070 8.781 -0.535 1.00 0.00 O ATOM 604 CB LEU A 42 -5.582 7.429 -3.465 1.00 0.00 C ATOM 605 CG LEU A 42 -5.392 6.138 -4.263 1.00 0.00 C ATOM 606 CD1 LEU A 42 -6.498 5.982 -5.295 1.00 0.00 C ATOM 607 CD2 LEU A 42 -4.027 6.123 -4.935 1.00 0.00 C ATOM 0 H LEU A 42 -5.923 5.746 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.760 7.476 -2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.646 7.566 -3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.259 8.269 -4.080 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.445 5.295 -3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.347 5.058 -5.853 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.464 5.947 -4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.477 6.828 -5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.909 5.197 -5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.946 6.973 -5.613 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.247 6.188 -4.176 1.00 0.00 H new ATOM 619 N ASP A 43 -4.482 9.846 -1.722 1.00 0.00 N ATOM 620 CA ASP A 43 -4.720 11.137 -1.087 1.00 0.00 C ATOM 621 C ASP A 43 -5.936 11.828 -1.698 1.00 0.00 C ATOM 622 O ASP A 43 -6.644 12.572 -1.020 1.00 0.00 O ATOM 623 CB ASP A 43 -3.486 12.031 -1.224 1.00 0.00 C ATOM 624 CG ASP A 43 -3.148 12.751 0.067 1.00 0.00 C ATOM 625 OD1 ASP A 43 -2.382 12.189 0.877 1.00 0.00 O ATOM 626 OD2 ASP A 43 -3.649 13.877 0.267 1.00 0.00 O ATOM 0 H ASP A 43 -3.745 9.852 -2.427 1.00 0.00 H new ATOM 0 HA ASP A 43 -4.918 10.963 -0.029 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.634 11.425 -1.533 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.658 12.764 -2.012 1.00 0.00 H new ATOM 631 N GLU A 44 -6.169 11.577 -2.982 1.00 0.00 N ATOM 632 CA GLU A 44 -7.299 12.175 -3.685 1.00 0.00 C ATOM 633 C GLU A 44 -8.239 11.096 -4.218 1.00 0.00 C ATOM 634 O GLU A 44 -7.825 9.962 -4.456 1.00 0.00 O ATOM 635 CB GLU A 44 -6.805 13.053 -4.836 1.00 0.00 C ATOM 636 CG GLU A 44 -5.914 12.317 -5.825 1.00 0.00 C ATOM 637 CD GLU A 44 -4.625 13.063 -6.114 1.00 0.00 C ATOM 638 OE1 GLU A 44 -4.145 13.788 -5.218 1.00 0.00 O ATOM 639 OE2 GLU A 44 -4.097 12.921 -7.237 1.00 0.00 O ATOM 0 H GLU A 44 -5.591 10.964 -3.557 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.849 12.795 -2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.666 13.459 -5.368 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.256 13.900 -4.426 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.677 11.329 -5.430 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.459 12.166 -6.757 1.00 0.00 H new ATOM 646 N PRO A 45 -9.525 11.438 -4.414 1.00 0.00 N ATOM 647 CA PRO A 45 -10.523 10.493 -4.923 1.00 0.00 C ATOM 648 C PRO A 45 -10.253 10.090 -6.369 1.00 0.00 C ATOM 649 O PRO A 45 -10.955 10.516 -7.286 1.00 0.00 O ATOM 650 CB PRO A 45 -11.840 11.269 -4.819 1.00 0.00 C ATOM 651 CG PRO A 45 -11.439 12.704 -4.843 1.00 0.00 C ATOM 652 CD PRO A 45 -10.103 12.770 -4.158 1.00 0.00 C ATOM 0 HA PRO A 45 -10.521 9.559 -4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.506 11.031 -5.648 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.373 11.022 -3.901 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.372 13.074 -5.866 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.173 13.323 -4.328 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.480 13.565 -4.568 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.207 12.965 -3.091 1.00 0.00 H new ATOM 660 N ILE A 46 -9.229 9.265 -6.565 1.00 0.00 N ATOM 661 CA ILE A 46 -8.865 8.804 -7.899 1.00 0.00 C ATOM 662 C ILE A 46 -8.644 7.295 -7.919 1.00 0.00 C ATOM 663 O ILE A 46 -7.847 6.786 -8.707 1.00 0.00 O ATOM 664 CB ILE A 46 -7.591 9.505 -8.407 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.427 9.256 -7.446 1.00 0.00 C ATOM 666 CG2 ILE A 46 -7.838 10.998 -8.571 1.00 0.00 C ATOM 667 CD1 ILE A 46 -5.069 9.340 -8.108 1.00 0.00 C ATOM 0 H ILE A 46 -8.637 8.903 -5.817 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.696 9.055 -8.558 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.329 9.090 -9.380 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.473 9.984 -6.636 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.543 8.270 -6.996 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.929 11.480 -8.931 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.642 11.157 -9.290 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.121 11.428 -7.610 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.291 9.153 -7.368 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.003 8.594 -8.900 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.933 10.334 -8.534 1.00 0.00 H new ATOM 679 N GLY A 47 -9.356 6.587 -7.048 1.00 0.00 N ATOM 680 CA GLY A 47 -9.224 5.143 -6.984 1.00 0.00 C ATOM 681 C GLY A 47 -10.456 4.426 -7.498 1.00 0.00 C ATOM 682 O GLY A 47 -11.377 5.056 -8.019 1.00 0.00 O ATOM 0 H GLY A 47 -10.021 6.987 -6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.357 4.834 -7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.037 4.844 -5.953 1.00 0.00 H new ATOM 686 N LYS A 48 -10.474 3.106 -7.352 1.00 0.00 N ATOM 687 CA LYS A 48 -11.604 2.302 -7.806 1.00 0.00 C ATOM 688 C LYS A 48 -12.354 1.700 -6.623 1.00 0.00 C ATOM 689 O LYS A 48 -13.575 1.550 -6.659 1.00 0.00 O ATOM 690 CB LYS A 48 -11.123 1.191 -8.742 1.00 0.00 C ATOM 691 CG LYS A 48 -10.876 1.661 -10.165 1.00 0.00 C ATOM 692 CD LYS A 48 -10.867 0.497 -11.143 1.00 0.00 C ATOM 693 CE LYS A 48 -9.487 -0.133 -11.245 1.00 0.00 C ATOM 694 NZ LYS A 48 -9.563 -1.604 -11.465 1.00 0.00 N ATOM 0 H LYS A 48 -9.720 2.570 -6.923 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.287 2.954 -8.350 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.202 0.765 -8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.864 0.392 -8.755 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.649 2.374 -10.453 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.923 2.187 -10.215 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.589 -0.255 -10.823 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.184 0.844 -12.127 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.937 0.329 -12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.927 0.069 -10.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.602 -1.996 -11.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.066 -2.048 -10.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.075 -1.797 -12.350 1.00 0.00 H new ATOM 708 N ASN A 49 -11.615 1.357 -5.572 1.00 0.00 N ATOM 709 CA ASN A 49 -12.210 0.773 -4.377 1.00 0.00 C ATOM 710 C ASN A 49 -12.303 1.805 -3.257 1.00 0.00 C ATOM 711 O ASN A 49 -11.693 2.872 -3.331 1.00 0.00 O ATOM 712 CB ASN A 49 -11.393 -0.432 -3.910 1.00 0.00 C ATOM 713 CG ASN A 49 -11.558 -1.631 -4.823 1.00 0.00 C ATOM 714 OD1 ASN A 49 -12.670 -1.969 -5.229 1.00 0.00 O ATOM 715 ND2 ASN A 49 -10.448 -2.283 -5.150 1.00 0.00 N ATOM 0 H ASN A 49 -10.603 1.474 -5.525 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.218 0.443 -4.628 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.339 -0.157 -3.863 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.697 -0.704 -2.899 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.497 -3.099 -5.761 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.547 -1.968 -4.791 1.00 0.00 H new ATOM 722 N ASP A 50 -13.069 1.481 -2.221 1.00 0.00 N ATOM 723 CA ASP A 50 -13.241 2.380 -1.085 1.00 0.00 C ATOM 724 C ASP A 50 -13.009 1.646 0.231 1.00 0.00 C ATOM 725 O ASP A 50 -13.670 1.923 1.232 1.00 0.00 O ATOM 726 CB ASP A 50 -14.641 2.994 -1.102 1.00 0.00 C ATOM 727 CG ASP A 50 -15.728 1.947 -1.252 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.685 0.937 -0.517 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.622 2.138 -2.102 1.00 0.00 O ATOM 0 H ASP A 50 -13.581 0.602 -2.144 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.502 3.177 -1.169 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -14.802 3.552 -0.179 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.712 3.708 -1.922 1.00 0.00 H new ATOM 734 N GLY A 51 -12.067 0.709 0.222 1.00 0.00 N ATOM 735 CA GLY A 51 -11.765 -0.050 1.421 1.00 0.00 C ATOM 736 C GLY A 51 -12.262 -1.480 1.342 1.00 0.00 C ATOM 737 O GLY A 51 -11.557 -2.413 1.725 1.00 0.00 O ATOM 0 H GLY A 51 -11.507 0.462 -0.594 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.687 -0.052 1.585 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.217 0.442 2.282 1.00 0.00 H new ATOM 741 N SER A 52 -13.483 -1.652 0.843 1.00 0.00 N ATOM 742 CA SER A 52 -14.077 -2.978 0.712 1.00 0.00 C ATOM 743 C SER A 52 -14.240 -3.357 -0.756 1.00 0.00 C ATOM 744 O SER A 52 -14.517 -2.506 -1.601 1.00 0.00 O ATOM 745 CB SER A 52 -15.433 -3.024 1.417 1.00 0.00 C ATOM 746 OG SER A 52 -15.307 -2.695 2.790 1.00 0.00 O ATOM 0 H SER A 52 -14.080 -0.889 0.523 1.00 0.00 H new ATOM 0 HA SER A 52 -13.407 -3.698 1.182 1.00 0.00 H new ATOM 0 HB2 SER A 52 -16.120 -2.329 0.935 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.865 -4.020 1.317 1.00 0.00 H new ATOM 0 HG SER A 52 -16.188 -2.730 3.217 1.00 0.00 H new ATOM 752 N VAL A 53 -14.067 -4.641 -1.053 1.00 0.00 N ATOM 753 CA VAL A 53 -14.196 -5.133 -2.420 1.00 0.00 C ATOM 754 C VAL A 53 -15.042 -6.399 -2.471 1.00 0.00 C ATOM 755 O VAL A 53 -14.677 -7.425 -1.897 1.00 0.00 O ATOM 756 CB VAL A 53 -12.817 -5.424 -3.043 1.00 0.00 C ATOM 757 CG1 VAL A 53 -12.956 -5.744 -4.523 1.00 0.00 C ATOM 758 CG2 VAL A 53 -11.876 -4.248 -2.830 1.00 0.00 C ATOM 0 H VAL A 53 -13.837 -5.359 -0.366 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.688 -4.348 -2.994 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.391 -6.295 -2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.972 -5.947 -4.945 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.592 -6.621 -4.648 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.404 -4.895 -5.038 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.907 -4.472 -3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -12.295 -3.357 -3.299 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.751 -4.071 -1.762 1.00 0.00 H new ATOM 768 N ALA A 54 -16.175 -6.320 -3.162 1.00 0.00 N ATOM 769 CA ALA A 54 -17.074 -7.461 -3.288 1.00 0.00 C ATOM 770 C ALA A 54 -17.584 -7.910 -1.923 1.00 0.00 C ATOM 771 O ALA A 54 -17.870 -9.089 -1.714 1.00 0.00 O ATOM 772 CB ALA A 54 -16.373 -8.610 -3.996 1.00 0.00 C ATOM 0 H ALA A 54 -16.492 -5.478 -3.643 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.933 -7.152 -3.884 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.056 -9.455 -4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.064 -8.290 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.496 -8.910 -3.422 1.00 0.00 H new ATOM 778 N GLY A 55 -17.695 -6.963 -0.997 1.00 0.00 N ATOM 779 CA GLY A 55 -18.171 -7.283 0.336 1.00 0.00 C ATOM 780 C GLY A 55 -17.039 -7.505 1.320 1.00 0.00 C ATOM 781 O GLY A 55 -17.202 -7.293 2.522 1.00 0.00 O ATOM 0 H GLY A 55 -17.464 -5.981 -1.146 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.807 -6.474 0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.790 -8.179 0.292 1.00 0.00 H new ATOM 785 N VAL A 56 -15.888 -7.932 0.809 1.00 0.00 N ATOM 786 CA VAL A 56 -14.725 -8.183 1.651 1.00 0.00 C ATOM 787 C VAL A 56 -14.064 -6.877 2.080 1.00 0.00 C ATOM 788 O VAL A 56 -13.605 -6.099 1.245 1.00 0.00 O ATOM 789 CB VAL A 56 -13.685 -9.058 0.925 1.00 0.00 C ATOM 790 CG1 VAL A 56 -12.567 -9.459 1.876 1.00 0.00 C ATOM 791 CG2 VAL A 56 -14.348 -10.286 0.322 1.00 0.00 C ATOM 0 H VAL A 56 -15.737 -8.111 -0.184 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.082 -8.713 2.534 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.249 -8.474 0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.842 -10.077 1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.073 -8.564 2.255 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.984 -10.024 2.710 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.598 -10.892 -0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -14.813 -10.874 1.113 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.109 -9.974 -0.394 1.00 0.00 H new ATOM 801 N ARG A 57 -14.020 -6.644 3.387 1.00 0.00 N ATOM 802 CA ARG A 57 -13.415 -5.434 3.929 1.00 0.00 C ATOM 803 C ARG A 57 -11.988 -5.702 4.398 1.00 0.00 C ATOM 804 O ARG A 57 -11.733 -6.669 5.116 1.00 0.00 O ATOM 805 CB ARG A 57 -14.253 -4.894 5.088 1.00 0.00 C ATOM 806 CG ARG A 57 -13.864 -3.489 5.516 1.00 0.00 C ATOM 807 CD ARG A 57 -14.093 -3.277 7.005 1.00 0.00 C ATOM 808 NE ARG A 57 -13.262 -4.162 7.817 1.00 0.00 N ATOM 809 CZ ARG A 57 -13.002 -3.958 9.106 1.00 0.00 C ATOM 810 NH1 ARG A 57 -13.503 -2.901 9.733 1.00 0.00 N ATOM 811 NH2 ARG A 57 -12.237 -4.813 9.771 1.00 0.00 N ATOM 0 H ARG A 57 -14.397 -7.278 4.091 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.383 -4.687 3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.304 -4.899 4.799 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.154 -5.565 5.941 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.815 -3.313 5.279 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.445 -2.761 4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.876 -2.240 7.261 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.143 -3.450 7.239 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.857 -4.985 7.370 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -14.091 -2.239 9.227 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -13.300 -2.751 10.721 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.848 -5.627 9.294 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.037 -4.657 10.759 1.00 0.00 H new ATOM 825 N TYR A 58 -11.064 -4.840 3.988 1.00 0.00 N ATOM 826 CA TYR A 58 -9.663 -4.984 4.368 1.00 0.00 C ATOM 827 C TYR A 58 -9.228 -3.844 5.283 1.00 0.00 C ATOM 828 O TYR A 58 -8.436 -4.042 6.204 1.00 0.00 O ATOM 829 CB TYR A 58 -8.776 -5.021 3.121 1.00 0.00 C ATOM 830 CG TYR A 58 -9.030 -6.216 2.232 1.00 0.00 C ATOM 831 CD1 TYR A 58 -8.534 -7.470 2.564 1.00 0.00 C ATOM 832 CD2 TYR A 58 -9.766 -6.091 1.060 1.00 0.00 C ATOM 833 CE1 TYR A 58 -8.763 -8.567 1.753 1.00 0.00 C ATOM 834 CE2 TYR A 58 -10.001 -7.181 0.244 1.00 0.00 C ATOM 835 CZ TYR A 58 -9.497 -8.416 0.595 1.00 0.00 C ATOM 836 OH TYR A 58 -9.729 -9.505 -0.214 1.00 0.00 O ATOM 0 H TYR A 58 -11.259 -4.035 3.393 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.554 -5.923 4.911 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -8.936 -4.110 2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.730 -5.024 3.429 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.960 -7.591 3.471 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.161 -5.125 0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.370 -9.535 2.025 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.576 -7.067 -0.663 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.685 -9.560 -0.422 1.00 0.00 H new ATOM 846 N PHE A 59 -9.750 -2.650 5.021 1.00 0.00 N ATOM 847 CA PHE A 59 -9.415 -1.477 5.821 1.00 0.00 C ATOM 848 C PHE A 59 -10.451 -0.374 5.631 1.00 0.00 C ATOM 849 O PHE A 59 -11.172 -0.352 4.633 1.00 0.00 O ATOM 850 CB PHE A 59 -8.026 -0.958 5.447 1.00 0.00 C ATOM 851 CG PHE A 59 -7.895 -0.586 3.997 1.00 0.00 C ATOM 852 CD1 PHE A 59 -7.674 -1.560 3.036 1.00 0.00 C ATOM 853 CD2 PHE A 59 -7.994 0.736 3.596 1.00 0.00 C ATOM 854 CE1 PHE A 59 -7.553 -1.221 1.702 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.873 1.082 2.263 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.652 0.101 1.315 1.00 0.00 C ATOM 0 H PHE A 59 -10.406 -2.469 4.261 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.414 -1.773 6.870 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.795 -0.086 6.060 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.285 -1.721 5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.596 -2.595 3.333 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.168 1.506 4.333 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.381 -1.989 0.963 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.951 2.117 1.963 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.557 0.368 0.273 1.00 0.00 H new ATOM 866 N GLN A 60 -10.520 0.538 6.594 1.00 0.00 N ATOM 867 CA GLN A 60 -11.468 1.644 6.532 1.00 0.00 C ATOM 868 C GLN A 60 -10.841 2.862 5.860 1.00 0.00 C ATOM 869 O GLN A 60 -9.698 3.220 6.146 1.00 0.00 O ATOM 870 CB GLN A 60 -11.948 2.013 7.937 1.00 0.00 C ATOM 871 CG GLN A 60 -13.248 2.801 7.949 1.00 0.00 C ATOM 872 CD GLN A 60 -13.335 3.763 9.116 1.00 0.00 C ATOM 873 OE1 GLN A 60 -13.712 3.381 10.225 1.00 0.00 O ATOM 874 NE2 GLN A 60 -12.988 5.022 8.874 1.00 0.00 N ATOM 0 H GLN A 60 -9.931 0.533 7.427 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.323 1.323 5.937 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.081 1.100 8.518 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.174 2.598 8.434 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.340 3.358 7.016 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -14.088 2.108 7.991 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.681 5.296 7.941 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -13.028 5.715 9.622 1.00 0.00 H new ATOM 883 N CYS A 61 -11.595 3.494 4.967 1.00 0.00 N ATOM 884 CA CYS A 61 -11.112 4.671 4.254 1.00 0.00 C ATOM 885 C CYS A 61 -12.263 5.410 3.581 1.00 0.00 C ATOM 886 O CYS A 61 -13.404 4.948 3.597 1.00 0.00 O ATOM 887 CB CYS A 61 -10.068 4.270 3.211 1.00 0.00 C ATOM 888 SG CYS A 61 -10.625 2.986 2.065 1.00 0.00 S ATOM 0 H CYS A 61 -12.543 3.211 4.720 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.650 5.340 4.980 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.783 5.153 2.640 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.173 3.920 3.725 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.782 1.997 2.078 1.00 0.00 H new ATOM 894 N GLU A 62 -11.957 6.559 2.989 1.00 0.00 N ATOM 895 CA GLU A 62 -12.966 7.362 2.309 1.00 0.00 C ATOM 896 C GLU A 62 -13.218 6.839 0.897 1.00 0.00 C ATOM 897 O GLU A 62 -12.429 6.059 0.364 1.00 0.00 O ATOM 898 CB GLU A 62 -12.528 8.827 2.252 1.00 0.00 C ATOM 899 CG GLU A 62 -12.919 9.627 3.484 1.00 0.00 C ATOM 900 CD GLU A 62 -12.067 10.868 3.667 1.00 0.00 C ATOM 901 OE1 GLU A 62 -10.826 10.737 3.698 1.00 0.00 O ATOM 902 OE2 GLU A 62 -12.642 11.972 3.780 1.00 0.00 O ATOM 0 H GLU A 62 -11.017 6.955 2.966 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.895 7.289 2.875 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.446 8.870 2.130 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.967 9.295 1.371 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.967 9.918 3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.828 8.995 4.367 1.00 0.00 H new ATOM 909 N PRO A 63 -14.330 7.262 0.270 1.00 0.00 N ATOM 910 CA PRO A 63 -14.684 6.831 -1.086 1.00 0.00 C ATOM 911 C PRO A 63 -13.606 7.178 -2.107 1.00 0.00 C ATOM 912 O PRO A 63 -13.066 8.284 -2.103 1.00 0.00 O ATOM 913 CB PRO A 63 -15.970 7.607 -1.390 1.00 0.00 C ATOM 914 CG PRO A 63 -16.520 7.982 -0.056 1.00 0.00 C ATOM 915 CD PRO A 63 -15.327 8.188 0.834 1.00 0.00 C ATOM 0 HA PRO A 63 -14.799 5.749 -1.146 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.764 8.490 -1.994 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.677 6.995 -1.950 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -17.121 8.889 -0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.169 7.198 0.334 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.978 9.220 0.809 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.554 7.953 1.874 1.00 0.00 H new ATOM 923 N LEU A 64 -13.302 6.227 -2.984 1.00 0.00 N ATOM 924 CA LEU A 64 -12.294 6.432 -4.017 1.00 0.00 C ATOM 925 C LEU A 64 -10.933 6.750 -3.404 1.00 0.00 C ATOM 926 O LEU A 64 -10.115 7.441 -4.011 1.00 0.00 O ATOM 927 CB LEU A 64 -12.720 7.565 -4.952 1.00 0.00 C ATOM 928 CG LEU A 64 -14.199 7.558 -5.344 1.00 0.00 C ATOM 929 CD1 LEU A 64 -14.585 8.876 -5.997 1.00 0.00 C ATOM 930 CD2 LEU A 64 -14.497 6.393 -6.275 1.00 0.00 C ATOM 0 H LEU A 64 -13.740 5.306 -3.000 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.205 5.508 -4.588 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.491 8.517 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.119 7.512 -5.860 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.794 7.437 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.640 8.852 -6.269 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.409 9.694 -5.298 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.983 9.028 -6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.553 6.403 -6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.892 6.484 -7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.260 5.455 -5.772 1.00 0.00 H new ATOM 942 N LYS A 65 -10.693 6.240 -2.200 1.00 0.00 N ATOM 943 CA LYS A 65 -9.427 6.470 -1.512 1.00 0.00 C ATOM 944 C LYS A 65 -8.806 5.151 -1.061 1.00 0.00 C ATOM 945 O LYS A 65 -8.367 5.015 0.081 1.00 0.00 O ATOM 946 CB LYS A 65 -9.635 7.391 -0.308 1.00 0.00 C ATOM 947 CG LYS A 65 -10.023 8.811 -0.686 1.00 0.00 C ATOM 948 CD LYS A 65 -9.394 9.829 0.251 1.00 0.00 C ATOM 949 CE LYS A 65 -9.495 11.239 -0.309 1.00 0.00 C ATOM 950 NZ LYS A 65 -9.141 12.269 0.708 1.00 0.00 N ATOM 0 H LYS A 65 -11.357 5.666 -1.681 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.744 6.951 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.411 6.970 0.331 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.718 7.419 0.280 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.709 9.015 -1.710 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.108 8.912 -0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.888 9.786 1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.347 9.576 0.415 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.833 11.336 -1.169 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.510 11.416 -0.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.874 13.006 0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.076 11.823 1.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.225 12.697 0.464 1.00 0.00 H new ATOM 964 N GLY A 66 -8.774 4.179 -1.968 1.00 0.00 N ATOM 965 CA GLY A 66 -8.205 2.884 -1.647 1.00 0.00 C ATOM 966 C GLY A 66 -8.172 1.953 -2.844 1.00 0.00 C ATOM 967 O GLY A 66 -9.194 1.729 -3.493 1.00 0.00 O ATOM 0 H GLY A 66 -9.132 4.266 -2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.192 3.019 -1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.786 2.423 -0.848 1.00 0.00 H new ATOM 971 N ILE A 67 -6.995 1.408 -3.135 1.00 0.00 N ATOM 972 CA ILE A 67 -6.833 0.496 -4.261 1.00 0.00 C ATOM 973 C ILE A 67 -5.792 -0.576 -3.953 1.00 0.00 C ATOM 974 O ILE A 67 -4.936 -0.394 -3.088 1.00 0.00 O ATOM 975 CB ILE A 67 -6.422 1.252 -5.541 1.00 0.00 C ATOM 976 CG1 ILE A 67 -6.342 0.290 -6.729 1.00 0.00 C ATOM 977 CG2 ILE A 67 -5.091 1.963 -5.337 1.00 0.00 C ATOM 978 CD1 ILE A 67 -6.236 0.988 -8.067 1.00 0.00 C ATOM 0 H ILE A 67 -6.140 1.582 -2.607 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.799 0.020 -4.427 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.182 2.003 -5.757 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.479 -0.363 -6.600 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.226 -0.347 -6.730 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.817 2.491 -6.250 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.182 2.677 -4.518 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.320 1.231 -5.096 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.183 0.244 -8.862 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -7.111 1.620 -8.218 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.337 1.604 -8.086 1.00 0.00 H new ATOM 990 N PHE A 68 -5.871 -1.694 -4.668 1.00 0.00 N ATOM 991 CA PHE A 68 -4.936 -2.796 -4.472 1.00 0.00 C ATOM 992 C PHE A 68 -4.063 -2.995 -5.707 1.00 0.00 C ATOM 993 O PHE A 68 -4.543 -2.915 -6.838 1.00 0.00 O ATOM 994 CB PHE A 68 -5.695 -4.085 -4.155 1.00 0.00 C ATOM 995 CG PHE A 68 -6.522 -4.005 -2.905 1.00 0.00 C ATOM 996 CD1 PHE A 68 -7.750 -3.363 -2.910 1.00 0.00 C ATOM 997 CD2 PHE A 68 -6.072 -4.571 -1.722 1.00 0.00 C ATOM 998 CE1 PHE A 68 -8.514 -3.286 -1.761 1.00 0.00 C ATOM 999 CE2 PHE A 68 -6.830 -4.498 -0.569 1.00 0.00 C ATOM 1000 CZ PHE A 68 -8.053 -3.855 -0.589 1.00 0.00 C ATOM 0 H PHE A 68 -6.573 -1.861 -5.389 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.290 -2.547 -3.630 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.345 -4.330 -4.995 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.981 -4.902 -4.056 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.115 -2.917 -3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.117 -5.075 -1.701 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.469 -2.782 -1.779 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.467 -4.943 0.346 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.648 -3.797 0.310 1.00 0.00 H new ATOM 1010 N THR A 69 -2.779 -3.253 -5.482 1.00 0.00 N ATOM 1011 CA THR A 69 -1.838 -3.463 -6.576 1.00 0.00 C ATOM 1012 C THR A 69 -0.609 -4.228 -6.097 1.00 0.00 C ATOM 1013 O THR A 69 -0.442 -4.467 -4.901 1.00 0.00 O ATOM 1014 CB THR A 69 -1.416 -2.121 -7.177 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.427 -2.308 -8.174 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.861 -1.156 -6.153 1.00 0.00 C ATOM 0 H THR A 69 -2.366 -3.322 -4.552 1.00 0.00 H new ATOM 0 HA THR A 69 -2.336 -4.056 -7.343 1.00 0.00 H new ATOM 0 HB THR A 69 -2.325 -1.693 -7.599 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.171 -1.439 -8.548 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.581 -0.225 -6.645 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.619 -0.953 -5.396 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.017 -1.594 -5.679 1.00 0.00 H new ATOM 1024 N ARG A 70 0.251 -4.608 -7.037 1.00 0.00 N ATOM 1025 CA ARG A 70 1.466 -5.345 -6.709 1.00 0.00 C ATOM 1026 C ARG A 70 2.520 -4.413 -6.110 1.00 0.00 C ATOM 1027 O ARG A 70 2.795 -3.346 -6.657 1.00 0.00 O ATOM 1028 CB ARG A 70 2.024 -6.029 -7.957 1.00 0.00 C ATOM 1029 CG ARG A 70 1.327 -7.335 -8.300 1.00 0.00 C ATOM 1030 CD ARG A 70 2.130 -8.539 -7.835 1.00 0.00 C ATOM 1031 NE ARG A 70 2.350 -9.499 -8.914 1.00 0.00 N ATOM 1032 CZ ARG A 70 3.260 -9.340 -9.873 1.00 0.00 C ATOM 1033 NH1 ARG A 70 4.035 -8.263 -9.890 1.00 0.00 N ATOM 1034 NH2 ARG A 70 3.395 -10.261 -10.817 1.00 0.00 N ATOM 0 H ARG A 70 0.129 -4.418 -8.032 1.00 0.00 H new ATOM 0 HA ARG A 70 1.214 -6.105 -5.969 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.937 -5.348 -8.803 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.087 -6.222 -7.811 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.341 -7.354 -7.836 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.174 -7.394 -9.378 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.092 -8.205 -7.445 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.606 -9.029 -7.014 1.00 0.00 H new ATOM 0 HE ARG A 70 1.773 -10.340 -8.934 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.935 -7.552 -9.166 1.00 0.00 H new ATOM 0 HH12 ARG A 70 4.730 -8.147 -10.627 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.802 -11.091 -10.808 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.092 -10.140 -11.552 1.00 0.00 H new ATOM 1048 N PRO A 71 3.128 -4.803 -4.974 1.00 0.00 N ATOM 1049 CA PRO A 71 4.154 -3.988 -4.313 1.00 0.00 C ATOM 1050 C PRO A 71 5.312 -3.651 -5.245 1.00 0.00 C ATOM 1051 O PRO A 71 5.892 -2.568 -5.165 1.00 0.00 O ATOM 1052 CB PRO A 71 4.640 -4.876 -3.163 1.00 0.00 C ATOM 1053 CG PRO A 71 3.524 -5.830 -2.915 1.00 0.00 C ATOM 1054 CD PRO A 71 2.868 -6.059 -4.246 1.00 0.00 C ATOM 0 HA PRO A 71 3.757 -3.027 -3.986 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.557 -5.402 -3.430 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.859 -4.285 -2.274 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.897 -6.766 -2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.814 -5.421 -2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.295 -6.919 -4.762 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.800 -6.249 -4.140 1.00 0.00 H new ATOM 1062 N SER A 72 5.648 -4.588 -6.127 1.00 0.00 N ATOM 1063 CA SER A 72 6.739 -4.392 -7.073 1.00 0.00 C ATOM 1064 C SER A 72 6.499 -3.157 -7.937 1.00 0.00 C ATOM 1065 O SER A 72 7.441 -2.468 -8.327 1.00 0.00 O ATOM 1066 CB SER A 72 6.898 -5.628 -7.962 1.00 0.00 C ATOM 1067 OG SER A 72 7.499 -6.694 -7.249 1.00 0.00 O ATOM 0 H SER A 72 5.179 -5.491 -6.205 1.00 0.00 H new ATOM 0 HA SER A 72 7.656 -4.240 -6.504 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.922 -5.940 -8.335 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.507 -5.379 -8.831 1.00 0.00 H new ATOM 0 HG SER A 72 7.588 -7.472 -7.838 1.00 0.00 H new ATOM 1073 N LYS A 73 5.232 -2.884 -8.230 1.00 0.00 N ATOM 1074 CA LYS A 73 4.867 -1.732 -9.047 1.00 0.00 C ATOM 1075 C LYS A 73 5.101 -0.430 -8.286 1.00 0.00 C ATOM 1076 O LYS A 73 5.407 0.602 -8.883 1.00 0.00 O ATOM 1077 CB LYS A 73 3.403 -1.828 -9.478 1.00 0.00 C ATOM 1078 CG LYS A 73 3.154 -2.869 -10.558 1.00 0.00 C ATOM 1079 CD LYS A 73 3.859 -2.506 -11.855 1.00 0.00 C ATOM 1080 CE LYS A 73 3.003 -2.835 -13.067 1.00 0.00 C ATOM 1081 NZ LYS A 73 3.301 -1.941 -14.219 1.00 0.00 N ATOM 0 H LYS A 73 4.441 -3.445 -7.914 1.00 0.00 H new ATOM 0 HA LYS A 73 5.500 -1.733 -9.935 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.791 -2.066 -8.608 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.075 -0.854 -9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.502 -3.843 -10.213 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.083 -2.959 -10.738 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.098 -1.442 -11.855 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.804 -3.045 -11.919 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.172 -3.871 -13.359 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.950 -2.746 -12.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.696 -2.199 -15.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.116 -0.954 -13.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.300 -2.045 -14.489 1.00 0.00 H new ATOM 1095 N LEU A 74 4.953 -0.487 -6.967 1.00 0.00 N ATOM 1096 CA LEU A 74 5.147 0.688 -6.124 1.00 0.00 C ATOM 1097 C LEU A 74 6.573 1.217 -6.247 1.00 0.00 C ATOM 1098 O LEU A 74 7.460 0.528 -6.752 1.00 0.00 O ATOM 1099 CB LEU A 74 4.841 0.350 -4.664 1.00 0.00 C ATOM 1100 CG LEU A 74 3.420 -0.151 -4.400 1.00 0.00 C ATOM 1101 CD1 LEU A 74 3.205 -0.386 -2.913 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.397 0.838 -4.939 1.00 0.00 C ATOM 0 H LEU A 74 4.699 -1.334 -6.458 1.00 0.00 H new ATOM 0 HA LEU A 74 4.460 1.464 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.546 -0.410 -4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.015 1.238 -4.057 1.00 0.00 H new ATOM 0 HG LEU A 74 3.287 -1.100 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.189 -0.742 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.915 -1.132 -2.556 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.357 0.548 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.392 0.465 -4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.529 1.802 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.536 0.956 -6.014 1.00 0.00 H new ATOM 1114 N THR A 75 6.786 2.443 -5.780 1.00 0.00 N ATOM 1115 CA THR A 75 8.104 3.065 -5.836 1.00 0.00 C ATOM 1116 C THR A 75 8.376 3.878 -4.575 1.00 0.00 C ATOM 1117 O THR A 75 7.520 3.981 -3.696 1.00 0.00 O ATOM 1118 CB THR A 75 8.216 3.962 -7.069 1.00 0.00 C ATOM 1119 OG1 THR A 75 7.076 4.794 -7.190 1.00 0.00 O ATOM 1120 CG2 THR A 75 8.359 3.188 -8.362 1.00 0.00 C ATOM 0 H THR A 75 6.063 3.026 -5.358 1.00 0.00 H new ATOM 0 HA THR A 75 8.849 2.272 -5.903 1.00 0.00 H new ATOM 0 HB THR A 75 9.120 4.551 -6.915 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.353 5.689 -7.477 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.433 3.885 -9.197 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.258 2.574 -8.321 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.488 2.547 -8.501 1.00 0.00 H new ATOM 1128 N ARG A 76 9.571 4.452 -4.492 1.00 0.00 N ATOM 1129 CA ARG A 76 9.956 5.256 -3.337 1.00 0.00 C ATOM 1130 C ARG A 76 10.221 6.702 -3.742 1.00 0.00 C ATOM 1131 O ARG A 76 11.255 7.012 -4.333 1.00 0.00 O ATOM 1132 CB ARG A 76 11.199 4.666 -2.669 1.00 0.00 C ATOM 1133 CG ARG A 76 10.895 3.503 -1.739 1.00 0.00 C ATOM 1134 CD ARG A 76 12.164 2.925 -1.130 1.00 0.00 C ATOM 1135 NE ARG A 76 12.335 3.328 0.265 1.00 0.00 N ATOM 1136 CZ ARG A 76 12.959 4.440 0.649 1.00 0.00 C ATOM 1137 NH1 ARG A 76 13.480 5.265 -0.250 1.00 0.00 N ATOM 1138 NH2 ARG A 76 13.062 4.728 1.939 1.00 0.00 N ATOM 0 H ARG A 76 10.291 4.376 -5.211 1.00 0.00 H new ATOM 0 HA ARG A 76 9.129 5.243 -2.627 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.892 4.332 -3.441 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.704 5.449 -2.104 1.00 0.00 H new ATOM 0 HG2 ARG A 76 10.229 3.837 -0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.368 2.724 -2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 76 12.133 1.837 -1.192 1.00 0.00 H new ATOM 0 HD3 ARG A 76 13.026 3.253 -1.710 1.00 0.00 H new ATOM 0 HE ARG A 76 11.953 2.720 0.989 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.404 5.050 -1.244 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.956 6.115 0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.664 4.098 2.636 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.540 5.579 2.235 1.00 0.00 H new ATOM 1152 N LYS A 77 9.279 7.583 -3.421 1.00 0.00 N ATOM 1153 CA LYS A 77 9.412 8.999 -3.749 1.00 0.00 C ATOM 1154 C LYS A 77 9.537 9.199 -5.256 1.00 0.00 C ATOM 1155 O LYS A 77 9.744 8.243 -6.005 1.00 0.00 O ATOM 1156 CB LYS A 77 10.628 9.597 -3.041 1.00 0.00 C ATOM 1157 CG LYS A 77 10.401 11.011 -2.532 1.00 0.00 C ATOM 1158 CD LYS A 77 11.657 11.858 -2.658 1.00 0.00 C ATOM 1159 CE LYS A 77 12.761 11.354 -1.742 1.00 0.00 C ATOM 1160 NZ LYS A 77 12.692 11.980 -0.393 1.00 0.00 N ATOM 0 H LYS A 77 8.416 7.342 -2.934 1.00 0.00 H new ATOM 0 HA LYS A 77 8.513 9.511 -3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.900 8.957 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.474 9.599 -3.728 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.590 11.475 -3.094 1.00 0.00 H new ATOM 0 HG3 LYS A 77 10.087 10.977 -1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 77 12.005 11.844 -3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 77 11.425 12.895 -2.414 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.685 10.271 -1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 77 13.731 11.566 -2.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 13.461 11.610 0.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.790 13.011 -0.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 11.777 11.756 0.047 1.00 0.00 H new