USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 501 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 86 THR OG1 : rot 37:sc= -0.0605 USER MOD Set 1.2: A 87 HIS : no HD1:sc= 0.0995 X(o=0.039,f=-0.17) USER MOD Set 2.1: A 83 ASN : amide:sc= -0.748 X(o=-0.77,f=-0.75) USER MOD Set 2.2: A 84 ASN : amide:sc= -0.0265 X(o=-0.77,f=-0.72) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 GLN : amide:sc= -0.375 K(o=-0.37,f=-3.4!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD Single : A 74 THR OG1 : rot 81:sc= 0.8 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -143:sc= -0.138 (180deg=-1.51!) USER MOD Single : A 82 THR OG1 : rot -80:sc= 1.15 USER MOD Single : A 88 LYS NZ :NH3+ -154:sc= -0.16 (180deg=-0.726) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 89:sc= 0.00921 USER MOD Single : A 99 ASN : amide:sc= 0.00621 X(o=0.0062,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0353 K(o=-0.035,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 117 N ILE A 46 -3.205 -10.360 -5.548 1.00 0.00 N ATOM 118 CA ILE A 46 -2.114 -9.387 -5.490 1.00 0.00 C ATOM 119 C ILE A 46 -0.826 -10.006 -4.940 1.00 0.00 C ATOM 120 O ILE A 46 0.264 -9.494 -5.192 1.00 0.00 O ATOM 121 CB ILE A 46 -2.484 -8.152 -4.638 1.00 0.00 C ATOM 122 CG1 ILE A 46 -2.851 -8.558 -3.206 1.00 0.00 C ATOM 123 CG2 ILE A 46 -3.627 -7.382 -5.282 1.00 0.00 C ATOM 124 CD1 ILE A 46 -2.813 -7.406 -2.227 1.00 0.00 C ATOM 0 HA ILE A 46 -1.944 -9.068 -6.518 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.610 -7.503 -4.591 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.850 -8.994 -3.204 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.164 -9.334 -2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.874 -6.516 -4.668 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.327 -7.049 -6.276 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.500 -8.029 -5.365 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.083 -7.764 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.808 -6.984 -2.200 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.520 -6.638 -2.541 1.00 0.00 H new ATOM 136 N ALA A 47 -0.953 -11.104 -4.189 1.00 0.00 N ATOM 137 CA ALA A 47 0.210 -11.780 -3.611 1.00 0.00 C ATOM 138 C ALA A 47 1.248 -12.133 -4.679 1.00 0.00 C ATOM 139 O ALA A 47 2.445 -12.172 -4.398 1.00 0.00 O ATOM 140 CB ALA A 47 -0.223 -13.031 -2.859 1.00 0.00 C ATOM 0 H ALA A 47 -1.847 -11.542 -3.968 1.00 0.00 H new ATOM 0 HA ALA A 47 0.679 -11.089 -2.910 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.653 -13.522 -2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.908 -12.755 -2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.725 -13.713 -3.546 1.00 0.00 H new ATOM 146 N ASN A 48 0.784 -12.380 -5.906 1.00 0.00 N ATOM 147 CA ASN A 48 1.681 -12.717 -7.010 1.00 0.00 C ATOM 148 C ASN A 48 2.331 -11.459 -7.587 1.00 0.00 C ATOM 149 O ASN A 48 3.448 -11.507 -8.103 1.00 0.00 O ATOM 150 CB ASN A 48 0.920 -13.465 -8.109 1.00 0.00 C ATOM 151 CG ASN A 48 1.519 -14.829 -8.398 1.00 0.00 C ATOM 152 OD1 ASN A 48 2.697 -14.942 -8.736 1.00 0.00 O ATOM 153 ND2 ASN A 48 0.711 -15.876 -8.270 1.00 0.00 N ATOM 0 H ASN A 48 -0.204 -12.353 -6.158 1.00 0.00 H new ATOM 0 HA ASN A 48 2.467 -13.365 -6.621 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.121 -13.584 -7.810 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.924 -12.868 -9.021 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.061 -16.816 -8.454 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.260 -15.740 -7.988 1.00 0.00 H new ATOM 160 N PHE A 49 1.623 -10.334 -7.491 1.00 0.00 N ATOM 161 CA PHE A 49 2.124 -9.060 -7.994 1.00 0.00 C ATOM 162 C PHE A 49 3.069 -8.399 -6.987 1.00 0.00 C ATOM 163 O PHE A 49 4.045 -7.758 -7.373 1.00 0.00 O ATOM 164 CB PHE A 49 0.954 -8.125 -8.308 1.00 0.00 C ATOM 165 CG PHE A 49 0.833 -7.785 -9.768 1.00 0.00 C ATOM 166 CD1 PHE A 49 0.662 -8.784 -10.715 1.00 0.00 C ATOM 167 CD2 PHE A 49 0.896 -6.468 -10.194 1.00 0.00 C ATOM 168 CE1 PHE A 49 0.555 -8.475 -12.057 1.00 0.00 C ATOM 169 CE2 PHE A 49 0.788 -6.153 -11.535 1.00 0.00 C ATOM 170 CZ PHE A 49 0.619 -7.158 -12.468 1.00 0.00 C ATOM 0 H PHE A 49 0.697 -10.282 -7.067 1.00 0.00 H new ATOM 0 HA PHE A 49 2.686 -9.254 -8.907 1.00 0.00 H new ATOM 0 HB2 PHE A 49 0.027 -8.591 -7.974 1.00 0.00 H new ATOM 0 HB3 PHE A 49 1.072 -7.204 -7.737 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.612 -9.816 -10.399 1.00 0.00 H new ATOM 0 HD2 PHE A 49 1.031 -5.679 -9.469 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.421 -9.262 -12.784 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.836 -5.122 -11.854 1.00 0.00 H new ATOM 0 HZ PHE A 49 0.537 -6.914 -13.517 1.00 0.00 H new ATOM 180 N LEU A 50 2.773 -8.558 -5.697 1.00 0.00 N ATOM 181 CA LEU A 50 3.603 -7.975 -4.643 1.00 0.00 C ATOM 182 C LEU A 50 4.919 -8.737 -4.501 1.00 0.00 C ATOM 183 O LEU A 50 4.961 -9.958 -4.667 1.00 0.00 O ATOM 184 CB LEU A 50 2.857 -7.974 -3.304 1.00 0.00 C ATOM 185 CG LEU A 50 1.994 -6.735 -3.039 1.00 0.00 C ATOM 186 CD1 LEU A 50 0.517 -7.098 -3.062 1.00 0.00 C ATOM 187 CD2 LEU A 50 2.366 -6.096 -1.707 1.00 0.00 C ATOM 0 H LEU A 50 1.968 -9.084 -5.358 1.00 0.00 H new ATOM 0 HA LEU A 50 3.824 -6.946 -4.925 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.220 -8.857 -3.261 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.587 -8.068 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 50 2.183 -6.011 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.080 -6.206 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.258 -7.507 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.313 -7.842 -2.292 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.742 -5.218 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.208 -6.814 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.414 -5.798 -1.727 1.00 0.00 H new ATOM 199 N GLU A 51 5.991 -8.010 -4.192 1.00 0.00 N ATOM 200 CA GLU A 51 7.308 -8.620 -4.027 1.00 0.00 C ATOM 201 C GLU A 51 7.421 -9.320 -2.672 1.00 0.00 C ATOM 202 O GLU A 51 6.838 -8.870 -1.684 1.00 0.00 O ATOM 203 CB GLU A 51 8.408 -7.562 -4.156 1.00 0.00 C ATOM 204 CG GLU A 51 8.914 -7.377 -5.578 1.00 0.00 C ATOM 205 CD GLU A 51 10.157 -8.195 -5.866 1.00 0.00 C ATOM 206 OE1 GLU A 51 11.255 -7.773 -5.447 1.00 0.00 O ATOM 207 OE2 GLU A 51 10.032 -9.259 -6.508 1.00 0.00 O ATOM 0 H GLU A 51 5.973 -7.000 -4.051 1.00 0.00 H new ATOM 0 HA GLU A 51 7.433 -9.363 -4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 51 8.028 -6.609 -3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.245 -7.840 -3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.128 -7.659 -6.279 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.130 -6.322 -5.748 1.00 0.00 H new ATOM 214 N PRO A 52 8.184 -10.431 -2.607 1.00 0.00 N ATOM 215 CA PRO A 52 8.378 -11.190 -1.363 1.00 0.00 C ATOM 216 C PRO A 52 9.035 -10.348 -0.269 1.00 0.00 C ATOM 217 O PRO A 52 8.661 -10.440 0.902 1.00 0.00 O ATOM 218 CB PRO A 52 9.294 -12.350 -1.774 1.00 0.00 C ATOM 219 CG PRO A 52 9.927 -11.917 -3.052 1.00 0.00 C ATOM 220 CD PRO A 52 8.922 -11.032 -3.734 1.00 0.00 C ATOM 0 HA PRO A 52 7.429 -11.520 -0.940 1.00 0.00 H new ATOM 0 HB2 PRO A 52 10.046 -12.547 -1.010 1.00 0.00 H new ATOM 0 HB3 PRO A 52 8.726 -13.271 -1.908 1.00 0.00 H new ATOM 0 HG2 PRO A 52 10.856 -11.379 -2.864 1.00 0.00 H new ATOM 0 HG3 PRO A 52 10.176 -12.776 -3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 52 9.405 -10.273 -4.349 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.263 -11.601 -4.389 1.00 0.00 H new ATOM 228 N GLN A 53 10.007 -9.520 -0.659 1.00 0.00 N ATOM 229 CA GLN A 53 10.707 -8.655 0.289 1.00 0.00 C ATOM 230 C GLN A 53 9.759 -7.599 0.855 1.00 0.00 C ATOM 231 O GLN A 53 9.748 -7.346 2.061 1.00 0.00 O ATOM 232 CB GLN A 53 11.908 -7.977 -0.380 1.00 0.00 C ATOM 233 CG GLN A 53 13.133 -8.872 -0.484 1.00 0.00 C ATOM 234 CD GLN A 53 13.890 -8.976 0.828 1.00 0.00 C ATOM 235 OE1 GLN A 53 13.316 -9.317 1.862 1.00 0.00 O ATOM 236 NE2 GLN A 53 15.185 -8.681 0.795 1.00 0.00 N ATOM 0 H GLN A 53 10.326 -9.431 -1.624 1.00 0.00 H new ATOM 0 HA GLN A 53 11.069 -9.276 1.108 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.620 -7.652 -1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 53 12.170 -7.082 0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.825 -9.868 -0.802 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.799 -8.483 -1.254 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.622 -8.403 -0.083 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.742 -8.733 1.648 1.00 0.00 H new ATOM 245 N ALA A 54 8.956 -6.994 -0.022 1.00 0.00 N ATOM 246 CA ALA A 54 7.995 -5.975 0.391 1.00 0.00 C ATOM 247 C ALA A 54 6.969 -6.552 1.365 1.00 0.00 C ATOM 248 O ALA A 54 6.571 -5.889 2.323 1.00 0.00 O ATOM 249 CB ALA A 54 7.295 -5.381 -0.823 1.00 0.00 C ATOM 0 H ALA A 54 8.954 -7.193 -1.022 1.00 0.00 H new ATOM 0 HA ALA A 54 8.542 -5.183 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.582 -4.623 -0.497 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.034 -4.925 -1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.767 -6.169 -1.360 1.00 0.00 H new ATOM 255 N LEU A 55 6.548 -7.794 1.113 1.00 0.00 N ATOM 256 CA LEU A 55 5.572 -8.466 1.970 1.00 0.00 C ATOM 257 C LEU A 55 6.102 -8.611 3.397 1.00 0.00 C ATOM 258 O LEU A 55 5.374 -8.372 4.360 1.00 0.00 O ATOM 259 CB LEU A 55 5.217 -9.845 1.404 1.00 0.00 C ATOM 260 CG LEU A 55 3.811 -9.961 0.809 1.00 0.00 C ATOM 261 CD1 LEU A 55 3.730 -11.147 -0.142 1.00 0.00 C ATOM 262 CD2 LEU A 55 2.771 -10.087 1.916 1.00 0.00 C ATOM 0 H LEU A 55 6.868 -8.353 0.322 1.00 0.00 H new ATOM 0 HA LEU A 55 4.673 -7.851 1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.943 -10.102 0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.321 -10.584 2.198 1.00 0.00 H new ATOM 0 HG LEU A 55 3.600 -9.054 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.724 -11.214 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 55 4.447 -11.013 -0.952 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.961 -12.064 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.778 -10.168 1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.978 -10.977 2.510 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.812 -9.206 2.556 1.00 0.00 H new ATOM 274 N GLU A 56 7.373 -9.000 3.525 1.00 0.00 N ATOM 275 CA GLU A 56 7.994 -9.170 4.838 1.00 0.00 C ATOM 276 C GLU A 56 7.931 -7.872 5.642 1.00 0.00 C ATOM 277 O GLU A 56 7.538 -7.874 6.810 1.00 0.00 O ATOM 278 CB GLU A 56 9.451 -9.615 4.687 1.00 0.00 C ATOM 279 CG GLU A 56 9.899 -10.600 5.757 1.00 0.00 C ATOM 280 CD GLU A 56 11.405 -10.776 5.803 1.00 0.00 C ATOM 281 OE1 GLU A 56 11.975 -11.293 4.817 1.00 0.00 O ATOM 282 OE2 GLU A 56 12.016 -10.400 6.826 1.00 0.00 O ATOM 0 H GLU A 56 7.989 -9.202 2.738 1.00 0.00 H new ATOM 0 HA GLU A 56 7.440 -9.940 5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.583 -10.071 3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.096 -8.737 4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.548 -10.256 6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.431 -11.567 5.573 1.00 0.00 H new ATOM 289 N ARG A 57 8.311 -6.765 5.003 1.00 0.00 N ATOM 290 CA ARG A 57 8.291 -5.458 5.652 1.00 0.00 C ATOM 291 C ARG A 57 6.858 -5.030 5.961 1.00 0.00 C ATOM 292 O ARG A 57 6.581 -4.487 7.032 1.00 0.00 O ATOM 293 CB ARG A 57 8.973 -4.413 4.765 1.00 0.00 C ATOM 294 CG ARG A 57 9.423 -3.172 5.517 1.00 0.00 C ATOM 295 CD ARG A 57 8.311 -2.138 5.595 1.00 0.00 C ATOM 296 NE ARG A 57 8.211 -1.536 6.925 1.00 0.00 N ATOM 297 CZ ARG A 57 7.604 -0.374 7.177 1.00 0.00 C ATOM 298 NH1 ARG A 57 7.051 0.327 6.192 1.00 0.00 N ATOM 299 NH2 ARG A 57 7.550 0.089 8.422 1.00 0.00 N ATOM 0 H ARG A 57 8.636 -6.750 4.036 1.00 0.00 H new ATOM 0 HA ARG A 57 8.839 -5.535 6.591 1.00 0.00 H new ATOM 0 HB2 ARG A 57 9.838 -4.868 4.283 1.00 0.00 H new ATOM 0 HB3 ARG A 57 8.285 -4.117 3.973 1.00 0.00 H new ATOM 0 HG2 ARG A 57 9.736 -3.448 6.524 1.00 0.00 H new ATOM 0 HG3 ARG A 57 10.291 -2.738 5.021 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.491 -1.357 4.857 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.361 -2.607 5.338 1.00 0.00 H new ATOM 0 HE ARG A 57 8.631 -2.036 7.709 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.088 -0.022 5.234 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.589 1.214 6.394 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.972 -0.443 9.183 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.087 0.977 8.616 1.00 0.00 H new ATOM 313 N LEU A 58 5.950 -5.283 5.015 1.00 0.00 N ATOM 314 CA LEU A 58 4.542 -4.930 5.184 1.00 0.00 C ATOM 315 C LEU A 58 3.929 -5.659 6.381 1.00 0.00 C ATOM 316 O LEU A 58 3.066 -5.114 7.069 1.00 0.00 O ATOM 317 CB LEU A 58 3.749 -5.255 3.914 1.00 0.00 C ATOM 318 CG LEU A 58 2.392 -4.553 3.800 1.00 0.00 C ATOM 319 CD1 LEU A 58 2.573 -3.042 3.729 1.00 0.00 C ATOM 320 CD2 LEU A 58 1.628 -5.062 2.584 1.00 0.00 C ATOM 0 H LEU A 58 6.167 -5.731 4.125 1.00 0.00 H new ATOM 0 HA LEU A 58 4.490 -3.857 5.371 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.354 -4.987 3.048 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.589 -6.332 3.870 1.00 0.00 H new ATOM 0 HG LEU A 58 1.809 -4.784 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.598 -2.562 3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.076 -2.693 4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.175 -2.788 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.667 -4.552 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.206 -4.863 1.682 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.464 -6.135 2.680 1.00 0.00 H new ATOM 332 N SER A 59 4.381 -6.891 6.628 1.00 0.00 N ATOM 333 CA SER A 59 3.874 -7.682 7.749 1.00 0.00 C ATOM 334 C SER A 59 4.230 -7.028 9.084 1.00 0.00 C ATOM 335 O SER A 59 3.418 -7.010 10.009 1.00 0.00 O ATOM 336 CB SER A 59 4.435 -9.108 7.702 1.00 0.00 C ATOM 337 OG SER A 59 3.407 -10.068 7.893 1.00 0.00 O ATOM 0 H SER A 59 5.094 -7.360 6.069 1.00 0.00 H new ATOM 0 HA SER A 59 2.788 -7.726 7.661 1.00 0.00 H new ATOM 0 HB2 SER A 59 4.923 -9.279 6.742 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.197 -9.228 8.472 1.00 0.00 H new ATOM 0 HG SER A 59 3.790 -10.969 7.857 1.00 0.00 H new ATOM 343 N ARG A 60 5.447 -6.488 9.176 1.00 0.00 N ATOM 344 CA ARG A 60 5.904 -5.830 10.399 1.00 0.00 C ATOM 345 C ARG A 60 5.098 -4.560 10.670 1.00 0.00 C ATOM 346 O ARG A 60 4.665 -4.323 11.798 1.00 0.00 O ATOM 347 CB ARG A 60 7.396 -5.495 10.308 1.00 0.00 C ATOM 348 CG ARG A 60 8.026 -5.161 11.655 1.00 0.00 C ATOM 349 CD ARG A 60 9.324 -5.924 11.877 1.00 0.00 C ATOM 350 NE ARG A 60 9.260 -6.781 13.061 1.00 0.00 N ATOM 351 CZ ARG A 60 8.715 -8.002 13.074 1.00 0.00 C ATOM 352 NH1 ARG A 60 8.173 -8.513 11.970 1.00 0.00 N ATOM 353 NH2 ARG A 60 8.710 -8.713 14.197 1.00 0.00 N ATOM 0 H ARG A 60 6.131 -6.494 8.420 1.00 0.00 H new ATOM 0 HA ARG A 60 5.749 -6.521 11.227 1.00 0.00 H new ATOM 0 HB2 ARG A 60 7.924 -6.341 9.868 1.00 0.00 H new ATOM 0 HB3 ARG A 60 7.530 -4.650 9.633 1.00 0.00 H new ATOM 0 HG2 ARG A 60 8.220 -4.090 11.710 1.00 0.00 H new ATOM 0 HG3 ARG A 60 7.323 -5.399 12.454 1.00 0.00 H new ATOM 0 HD2 ARG A 60 9.541 -6.533 11.000 1.00 0.00 H new ATOM 0 HD3 ARG A 60 10.146 -5.217 11.985 1.00 0.00 H new ATOM 0 HE ARG A 60 9.656 -6.425 13.931 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.171 -7.972 11.105 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.760 -9.445 11.989 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.121 -8.327 15.047 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.295 -9.645 14.209 1.00 0.00 H new ATOM 367 N VAL A 61 4.897 -3.748 9.630 1.00 0.00 N ATOM 368 CA VAL A 61 4.137 -2.507 9.766 1.00 0.00 C ATOM 369 C VAL A 61 2.654 -2.791 10.025 1.00 0.00 C ATOM 370 O VAL A 61 2.025 -2.116 10.840 1.00 0.00 O ATOM 371 CB VAL A 61 4.295 -1.588 8.528 1.00 0.00 C ATOM 372 CG1 VAL A 61 3.771 -2.257 7.266 1.00 0.00 C ATOM 373 CG2 VAL A 61 3.602 -0.251 8.761 1.00 0.00 C ATOM 0 H VAL A 61 5.249 -3.927 8.689 1.00 0.00 H new ATOM 0 HA VAL A 61 4.549 -1.981 10.627 1.00 0.00 H new ATOM 0 HB VAL A 61 5.360 -1.405 8.384 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.898 -1.584 6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 61 4.326 -3.177 7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.713 -2.489 7.390 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.724 0.380 7.881 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.540 -0.418 8.943 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.045 0.243 9.626 1.00 0.00 H new ATOM 383 N ALA A 62 2.103 -3.797 9.335 1.00 0.00 N ATOM 384 CA ALA A 62 0.694 -4.171 9.502 1.00 0.00 C ATOM 385 C ALA A 62 0.376 -4.538 10.955 1.00 0.00 C ATOM 386 O ALA A 62 -0.749 -4.343 11.415 1.00 0.00 O ATOM 387 CB ALA A 62 0.332 -5.331 8.583 1.00 0.00 C ATOM 0 H ALA A 62 2.611 -4.365 8.657 1.00 0.00 H new ATOM 0 HA ALA A 62 0.094 -3.302 9.232 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.717 -5.592 8.723 1.00 0.00 H new ATOM 0 HB2 ALA A 62 0.498 -5.039 7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 62 0.955 -6.193 8.822 1.00 0.00 H new ATOM 393 N LEU A 63 1.373 -5.067 11.671 1.00 0.00 N ATOM 394 CA LEU A 63 1.195 -5.455 13.072 1.00 0.00 C ATOM 395 C LEU A 63 0.856 -4.242 13.934 1.00 0.00 C ATOM 396 O LEU A 63 0.048 -4.332 14.858 1.00 0.00 O ATOM 397 CB LEU A 63 2.463 -6.126 13.611 1.00 0.00 C ATOM 398 CG LEU A 63 2.733 -7.538 13.082 1.00 0.00 C ATOM 399 CD1 LEU A 63 4.228 -7.827 13.061 1.00 0.00 C ATOM 400 CD2 LEU A 63 1.997 -8.572 13.923 1.00 0.00 C ATOM 0 H LEU A 63 2.309 -5.236 11.304 1.00 0.00 H new ATOM 0 HA LEU A 63 0.367 -6.163 13.118 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.319 -5.496 13.369 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.397 -6.170 14.698 1.00 0.00 H new ATOM 0 HG LEU A 63 2.360 -7.599 12.059 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.398 -8.835 12.682 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.729 -7.107 12.414 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.628 -7.747 14.072 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.200 -9.569 13.533 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.338 -8.510 14.956 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.925 -8.378 13.882 1.00 0.00 H new ATOM 412 N VAL A 64 1.482 -3.110 13.622 1.00 0.00 N ATOM 413 CA VAL A 64 1.253 -1.874 14.363 1.00 0.00 C ATOM 414 C VAL A 64 0.152 -1.042 13.708 1.00 0.00 C ATOM 415 O VAL A 64 -0.761 -0.565 14.383 1.00 0.00 O ATOM 416 CB VAL A 64 2.539 -1.022 14.474 1.00 0.00 C ATOM 417 CG1 VAL A 64 2.600 -0.336 15.828 1.00 0.00 C ATOM 418 CG2 VAL A 64 3.787 -1.869 14.249 1.00 0.00 C ATOM 0 H VAL A 64 2.153 -3.024 12.859 1.00 0.00 H new ATOM 0 HA VAL A 64 0.942 -2.163 15.367 1.00 0.00 H new ATOM 0 HB VAL A 64 2.508 -0.262 13.694 1.00 0.00 H new ATOM 0 HG11 VAL A 64 3.510 0.260 15.893 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.732 0.312 15.947 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.602 -1.088 16.617 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.673 -1.240 14.334 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.830 -2.660 14.998 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.751 -2.313 13.254 1.00 0.00 H new ATOM 428 N ARG A 65 0.241 -0.877 12.389 1.00 0.00 N ATOM 429 CA ARG A 65 -0.749 -0.112 11.640 1.00 0.00 C ATOM 430 C ARG A 65 -1.232 -0.898 10.426 1.00 0.00 C ATOM 431 O ARG A 65 -0.718 -0.731 9.318 1.00 0.00 O ATOM 432 CB ARG A 65 -0.170 1.233 11.196 1.00 0.00 C ATOM 433 CG ARG A 65 0.379 2.071 12.340 1.00 0.00 C ATOM 434 CD ARG A 65 -0.545 3.229 12.679 1.00 0.00 C ATOM 435 NE ARG A 65 -1.710 2.796 13.452 1.00 0.00 N ATOM 436 CZ ARG A 65 -2.810 3.534 13.622 1.00 0.00 C ATOM 437 NH1 ARG A 65 -2.902 4.745 13.078 1.00 0.00 N ATOM 438 NH2 ARG A 65 -3.823 3.060 14.339 1.00 0.00 N ATOM 0 H ARG A 65 0.992 -1.265 11.818 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.599 0.073 12.297 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.626 1.055 10.473 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -0.946 1.800 10.682 1.00 0.00 H new ATOM 0 HG2 ARG A 65 0.513 1.442 13.220 1.00 0.00 H new ATOM 0 HG3 ARG A 65 1.362 2.456 12.070 1.00 0.00 H new ATOM 0 HD2 ARG A 65 0.007 3.979 13.246 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -0.879 3.707 11.758 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.680 1.874 13.888 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.129 5.116 12.526 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.746 5.302 13.213 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -3.760 2.133 14.759 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.663 3.623 14.469 1.00 0.00 H new ATOM 452 N ARG A 66 -2.226 -1.757 10.645 1.00 0.00 N ATOM 453 CA ARG A 66 -2.791 -2.574 9.572 1.00 0.00 C ATOM 454 C ARG A 66 -3.349 -1.699 8.446 1.00 0.00 C ATOM 455 O ARG A 66 -3.333 -2.098 7.282 1.00 0.00 O ATOM 456 CB ARG A 66 -3.888 -3.498 10.119 1.00 0.00 C ATOM 457 CG ARG A 66 -3.795 -4.929 9.609 1.00 0.00 C ATOM 458 CD ARG A 66 -5.077 -5.705 9.880 1.00 0.00 C ATOM 459 NE ARG A 66 -5.162 -6.930 9.082 1.00 0.00 N ATOM 460 CZ ARG A 66 -6.241 -7.719 9.031 1.00 0.00 C ATOM 461 NH1 ARG A 66 -7.331 -7.419 9.734 1.00 0.00 N ATOM 462 NH2 ARG A 66 -6.229 -8.811 8.275 1.00 0.00 N ATOM 0 H ARG A 66 -2.657 -1.906 11.557 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.988 -3.186 9.161 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.834 -3.506 11.208 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.862 -3.089 9.851 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.593 -4.922 8.538 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.956 -5.433 10.088 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -5.129 -5.959 10.939 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.936 -5.071 9.662 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.347 -7.198 8.530 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.348 -6.582 10.317 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.150 -8.026 9.690 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.397 -9.048 7.734 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.051 -9.413 8.236 1.00 0.00 H new ATOM 476 N ASP A 67 -3.847 -0.510 8.800 1.00 0.00 N ATOM 477 CA ASP A 67 -4.415 0.418 7.818 1.00 0.00 C ATOM 478 C ASP A 67 -3.419 0.736 6.701 1.00 0.00 C ATOM 479 O ASP A 67 -3.782 0.742 5.523 1.00 0.00 O ATOM 480 CB ASP A 67 -4.856 1.714 8.506 1.00 0.00 C ATOM 481 CG ASP A 67 -5.761 2.561 7.632 1.00 0.00 C ATOM 482 OD1 ASP A 67 -5.244 3.248 6.728 1.00 0.00 O ATOM 483 OD2 ASP A 67 -6.989 2.536 7.853 1.00 0.00 O ATOM 0 H ASP A 67 -3.868 -0.168 9.761 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.282 -0.067 7.369 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.376 1.470 9.432 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.974 2.294 8.779 1.00 0.00 H new ATOM 488 N ARG A 68 -2.166 0.998 7.074 1.00 0.00 N ATOM 489 CA ARG A 68 -1.129 1.315 6.094 1.00 0.00 C ATOM 490 C ARG A 68 -0.949 0.159 5.112 1.00 0.00 C ATOM 491 O ARG A 68 -0.943 0.362 3.898 1.00 0.00 O ATOM 492 CB ARG A 68 0.199 1.623 6.795 1.00 0.00 C ATOM 493 CG ARG A 68 0.407 3.103 7.087 1.00 0.00 C ATOM 494 CD ARG A 68 1.147 3.317 8.399 1.00 0.00 C ATOM 495 NE ARG A 68 2.468 3.912 8.196 1.00 0.00 N ATOM 496 CZ ARG A 68 3.275 4.290 9.190 1.00 0.00 C ATOM 497 NH1 ARG A 68 2.895 4.143 10.456 1.00 0.00 N ATOM 498 NH2 ARG A 68 4.464 4.817 8.918 1.00 0.00 N ATOM 0 H ARG A 68 -1.846 0.997 8.043 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.443 2.199 5.539 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.243 1.067 7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 68 1.020 1.265 6.173 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.970 3.559 6.273 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.559 3.606 7.128 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.555 3.963 9.047 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.255 2.362 8.913 1.00 0.00 H new ATOM 0 HE ARG A 68 2.792 4.046 7.238 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.983 3.740 10.671 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.515 4.433 11.212 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.761 4.933 7.949 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.080 5.106 9.678 1.00 0.00 H new ATOM 512 N ALA A 69 -0.821 -1.054 5.648 1.00 0.00 N ATOM 513 CA ALA A 69 -0.664 -2.248 4.820 1.00 0.00 C ATOM 514 C ALA A 69 -1.926 -2.519 4.006 1.00 0.00 C ATOM 515 O ALA A 69 -1.853 -2.989 2.870 1.00 0.00 O ATOM 516 CB ALA A 69 -0.328 -3.454 5.685 1.00 0.00 C ATOM 0 H ALA A 69 -0.823 -1.235 6.652 1.00 0.00 H new ATOM 0 HA ALA A 69 0.158 -2.072 4.127 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.214 -4.335 5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.603 -3.269 6.221 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.132 -3.623 6.402 1.00 0.00 H new ATOM 522 N GLN A 70 -3.083 -2.217 4.600 1.00 0.00 N ATOM 523 CA GLN A 70 -4.371 -2.421 3.943 1.00 0.00 C ATOM 524 C GLN A 70 -4.472 -1.584 2.673 1.00 0.00 C ATOM 525 O GLN A 70 -4.901 -2.073 1.629 1.00 0.00 O ATOM 526 CB GLN A 70 -5.517 -2.061 4.890 1.00 0.00 C ATOM 527 CG GLN A 70 -6.776 -2.886 4.670 1.00 0.00 C ATOM 528 CD GLN A 70 -8.014 -2.027 4.490 1.00 0.00 C ATOM 529 OE1 GLN A 70 -8.783 -2.216 3.548 1.00 0.00 O ATOM 530 NE2 GLN A 70 -8.215 -1.074 5.396 1.00 0.00 N ATOM 0 H GLN A 70 -3.151 -1.828 5.541 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.447 -3.475 3.674 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.182 -2.194 5.919 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -5.759 -1.005 4.768 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.644 -3.515 3.790 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.922 -3.553 5.520 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -7.553 -0.951 6.162 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.031 -0.467 5.325 1.00 0.00 H new ATOM 539 N ALA A 71 -4.068 -0.319 2.769 1.00 0.00 N ATOM 540 CA ALA A 71 -4.107 0.582 1.625 1.00 0.00 C ATOM 541 C ALA A 71 -3.155 0.115 0.524 1.00 0.00 C ATOM 542 O ALA A 71 -3.448 0.276 -0.658 1.00 0.00 O ATOM 543 CB ALA A 71 -3.773 2.003 2.051 1.00 0.00 C ATOM 0 H ALA A 71 -3.711 0.102 3.627 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.120 0.570 1.223 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.807 2.661 1.183 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.498 2.341 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.773 2.027 2.485 1.00 0.00 H new ATOM 549 N VAL A 72 -2.020 -0.474 0.916 1.00 0.00 N ATOM 550 CA VAL A 72 -1.044 -0.969 -0.056 1.00 0.00 C ATOM 551 C VAL A 72 -1.608 -2.161 -0.829 1.00 0.00 C ATOM 552 O VAL A 72 -1.525 -2.208 -2.058 1.00 0.00 O ATOM 553 CB VAL A 72 0.287 -1.389 0.612 1.00 0.00 C ATOM 554 CG1 VAL A 72 1.322 -1.756 -0.444 1.00 0.00 C ATOM 555 CG2 VAL A 72 0.813 -0.286 1.521 1.00 0.00 C ATOM 0 H VAL A 72 -1.758 -0.618 1.891 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.841 -0.144 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 72 0.095 -2.268 1.227 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.252 -2.049 0.044 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.950 -2.586 -1.045 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.506 -0.896 -1.088 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.749 -0.607 1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 72 0.986 0.617 0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.081 -0.078 2.301 1.00 0.00 H new ATOM 565 N GLU A 73 -2.183 -3.121 -0.100 1.00 0.00 N ATOM 566 CA GLU A 73 -2.764 -4.313 -0.718 1.00 0.00 C ATOM 567 C GLU A 73 -4.004 -3.957 -1.539 1.00 0.00 C ATOM 568 O GLU A 73 -4.204 -4.481 -2.636 1.00 0.00 O ATOM 569 CB GLU A 73 -3.119 -5.363 0.345 1.00 0.00 C ATOM 570 CG GLU A 73 -4.075 -4.867 1.424 1.00 0.00 C ATOM 571 CD GLU A 73 -4.348 -5.911 2.491 1.00 0.00 C ATOM 572 OE1 GLU A 73 -3.384 -6.358 3.149 1.00 0.00 O ATOM 573 OE2 GLU A 73 -5.528 -6.282 2.671 1.00 0.00 O ATOM 0 H GLU A 73 -2.258 -3.095 0.917 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.016 -4.735 -1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.564 -6.227 -0.149 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.200 -5.706 0.820 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.657 -3.976 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -5.017 -4.572 0.961 1.00 0.00 H new ATOM 580 N THR A 74 -4.828 -3.058 -1.002 1.00 0.00 N ATOM 581 CA THR A 74 -6.046 -2.626 -1.682 1.00 0.00 C ATOM 582 C THR A 74 -5.720 -1.740 -2.888 1.00 0.00 C ATOM 583 O THR A 74 -6.438 -1.753 -3.887 1.00 0.00 O ATOM 584 CB THR A 74 -6.974 -1.887 -0.709 1.00 0.00 C ATOM 585 OG1 THR A 74 -7.321 -2.724 0.381 1.00 0.00 O ATOM 586 CG2 THR A 74 -8.266 -1.419 -1.347 1.00 0.00 C ATOM 0 H THR A 74 -4.673 -2.615 -0.097 1.00 0.00 H new ATOM 0 HA THR A 74 -6.560 -3.516 -2.046 1.00 0.00 H new ATOM 0 HB THR A 74 -6.410 -1.014 -0.381 1.00 0.00 H new ATOM 0 HG1 THR A 74 -6.596 -2.720 1.041 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.874 -0.905 -0.603 1.00 0.00 H new ATOM 0 HG22 THR A 74 -8.041 -0.736 -2.166 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.814 -2.279 -1.732 1.00 0.00 H new ATOM 594 N TYR A 75 -4.631 -0.977 -2.790 1.00 0.00 N ATOM 595 CA TYR A 75 -4.209 -0.095 -3.869 1.00 0.00 C ATOM 596 C TYR A 75 -3.776 -0.907 -5.092 1.00 0.00 C ATOM 597 O TYR A 75 -4.164 -0.599 -6.220 1.00 0.00 O ATOM 598 CB TYR A 75 -3.067 0.806 -3.376 1.00 0.00 C ATOM 599 CG TYR A 75 -2.200 1.387 -4.469 1.00 0.00 C ATOM 600 CD1 TYR A 75 -1.153 0.653 -5.009 1.00 0.00 C ATOM 601 CD2 TYR A 75 -2.421 2.669 -4.950 1.00 0.00 C ATOM 602 CE1 TYR A 75 -0.353 1.177 -6.001 1.00 0.00 C ATOM 603 CE2 TYR A 75 -1.624 3.203 -5.942 1.00 0.00 C ATOM 604 CZ TYR A 75 -0.591 2.455 -6.465 1.00 0.00 C ATOM 605 OH TYR A 75 0.207 2.987 -7.453 1.00 0.00 O ATOM 0 H TYR A 75 -4.026 -0.955 -1.969 1.00 0.00 H new ATOM 0 HA TYR A 75 -5.049 0.532 -4.169 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.494 1.625 -2.796 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -2.436 0.231 -2.698 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -0.962 -0.346 -4.645 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.229 3.258 -4.542 1.00 0.00 H new ATOM 0 HE1 TYR A 75 0.455 0.591 -6.413 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.809 4.203 -6.307 1.00 0.00 H new ATOM 0 HH TYR A 75 -0.096 3.894 -7.665 1.00 0.00 H new ATOM 615 N LEU A 76 -2.970 -1.943 -4.857 1.00 0.00 N ATOM 616 CA LEU A 76 -2.479 -2.798 -5.936 1.00 0.00 C ATOM 617 C LEU A 76 -3.628 -3.522 -6.640 1.00 0.00 C ATOM 618 O LEU A 76 -3.680 -3.556 -7.869 1.00 0.00 O ATOM 619 CB LEU A 76 -1.470 -3.818 -5.392 1.00 0.00 C ATOM 620 CG LEU A 76 -0.610 -4.517 -6.451 1.00 0.00 C ATOM 621 CD1 LEU A 76 0.091 -3.497 -7.339 1.00 0.00 C ATOM 622 CD2 LEU A 76 0.406 -5.438 -5.790 1.00 0.00 C ATOM 0 H LEU A 76 -2.644 -2.210 -3.928 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.983 -2.159 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.810 -3.311 -4.688 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.013 -4.577 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.266 -5.120 -7.079 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.695 -4.016 -8.083 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.654 -2.881 -7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.734 -2.863 -6.728 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.008 -5.926 -6.557 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.055 -4.855 -5.136 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.116 -6.194 -5.203 1.00 0.00 H new ATOM 634 N LYS A 77 -4.549 -4.094 -5.860 1.00 0.00 N ATOM 635 CA LYS A 77 -5.691 -4.812 -6.430 1.00 0.00 C ATOM 636 C LYS A 77 -6.644 -3.858 -7.154 1.00 0.00 C ATOM 637 O LYS A 77 -7.247 -4.227 -8.161 1.00 0.00 O ATOM 638 CB LYS A 77 -6.438 -5.609 -5.352 1.00 0.00 C ATOM 639 CG LYS A 77 -7.139 -4.754 -4.308 1.00 0.00 C ATOM 640 CD LYS A 77 -8.611 -5.117 -4.189 1.00 0.00 C ATOM 641 CE LYS A 77 -9.261 -4.430 -2.998 1.00 0.00 C ATOM 642 NZ LYS A 77 -10.633 -3.943 -3.317 1.00 0.00 N ATOM 0 H LYS A 77 -4.527 -4.074 -4.840 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.300 -5.517 -7.164 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.177 -6.247 -5.837 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -5.730 -6.267 -4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.651 -4.885 -3.342 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.043 -3.701 -4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.132 -4.832 -5.103 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.713 -6.197 -4.087 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.308 -5.125 -2.160 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.642 -3.590 -2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -11.041 -3.481 -2.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.586 -3.260 -4.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -11.231 -4.747 -3.595 1.00 0.00 H new ATOM 656 N LYS A 78 -6.771 -2.631 -6.643 1.00 0.00 N ATOM 657 CA LYS A 78 -7.645 -1.634 -7.258 1.00 0.00 C ATOM 658 C LYS A 78 -7.155 -1.281 -8.662 1.00 0.00 C ATOM 659 O LYS A 78 -7.943 -1.228 -9.605 1.00 0.00 O ATOM 660 CB LYS A 78 -7.713 -0.370 -6.394 1.00 0.00 C ATOM 661 CG LYS A 78 -8.815 -0.409 -5.346 1.00 0.00 C ATOM 662 CD LYS A 78 -9.237 0.990 -4.918 1.00 0.00 C ATOM 663 CE LYS A 78 -8.544 1.413 -3.630 1.00 0.00 C ATOM 664 NZ LYS A 78 -7.188 1.982 -3.878 1.00 0.00 N ATOM 0 H LYS A 78 -6.282 -2.307 -5.809 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.645 -2.061 -7.333 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.754 -0.228 -5.896 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.868 0.494 -7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.677 -0.943 -5.745 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.470 -0.967 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.000 1.701 -5.710 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.317 1.018 -4.777 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.158 2.153 -3.116 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.459 0.553 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.544 1.688 -3.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.827 1.635 -4.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.246 3.020 -3.901 1.00 0.00 H new ATOM 678 N LEU A 79 -5.847 -1.051 -8.792 1.00 0.00 N ATOM 679 CA LEU A 79 -5.248 -0.712 -10.083 1.00 0.00 C ATOM 680 C LEU A 79 -5.381 -1.870 -11.074 1.00 0.00 C ATOM 681 O LEU A 79 -5.713 -1.657 -12.240 1.00 0.00 O ATOM 682 CB LEU A 79 -3.771 -0.341 -9.908 1.00 0.00 C ATOM 683 CG LEU A 79 -3.484 1.158 -9.762 1.00 0.00 C ATOM 684 CD1 LEU A 79 -4.194 1.727 -8.541 1.00 0.00 C ATOM 685 CD2 LEU A 79 -1.984 1.404 -9.672 1.00 0.00 C ATOM 0 H LEU A 79 -5.183 -1.093 -8.019 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.786 0.147 -10.484 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.386 -0.855 -9.027 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.215 -0.719 -10.766 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.867 1.669 -10.646 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.976 2.792 -8.457 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.269 1.584 -8.646 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.845 1.213 -7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.796 2.473 -9.569 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.581 0.879 -8.806 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.500 1.036 -10.577 1.00 0.00 H new ATOM 697 N ILE A 80 -5.124 -3.095 -10.609 1.00 0.00 N ATOM 698 CA ILE A 80 -5.225 -4.274 -11.472 1.00 0.00 C ATOM 699 C ILE A 80 -6.677 -4.533 -11.877 1.00 0.00 C ATOM 700 O ILE A 80 -6.957 -4.854 -13.033 1.00 0.00 O ATOM 701 CB ILE A 80 -4.656 -5.544 -10.795 1.00 0.00 C ATOM 702 CG1 ILE A 80 -3.219 -5.309 -10.313 1.00 0.00 C ATOM 703 CG2 ILE A 80 -4.703 -6.725 -11.758 1.00 0.00 C ATOM 704 CD1 ILE A 80 -2.806 -6.217 -9.173 1.00 0.00 C ATOM 0 H ILE A 80 -4.847 -3.296 -9.648 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.628 -4.059 -12.359 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.275 -5.773 -9.927 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -2.536 -5.456 -11.149 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.116 -4.271 -9.996 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -4.299 -7.611 -11.267 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -5.735 -6.912 -12.054 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.108 -6.497 -12.642 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.779 -5.994 -8.884 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.466 -6.054 -8.321 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.876 -7.257 -9.492 1.00 0.00 H new ATOM 716 N ALA A 81 -7.594 -4.390 -10.918 1.00 0.00 N ATOM 717 CA ALA A 81 -9.017 -4.607 -11.176 1.00 0.00 C ATOM 718 C ALA A 81 -9.570 -3.581 -12.165 1.00 0.00 C ATOM 719 O ALA A 81 -10.511 -3.873 -12.905 1.00 0.00 O ATOM 720 CB ALA A 81 -9.807 -4.571 -9.874 1.00 0.00 C ATOM 0 H ALA A 81 -7.376 -4.125 -9.957 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.126 -5.594 -11.626 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.864 -4.734 -10.085 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.445 -5.353 -9.207 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.678 -3.599 -9.397 1.00 0.00 H new ATOM 726 N THR A 82 -8.983 -2.383 -12.181 1.00 0.00 N ATOM 727 CA THR A 82 -9.428 -1.334 -13.093 1.00 0.00 C ATOM 728 C THR A 82 -8.748 -1.468 -14.452 1.00 0.00 C ATOM 729 O THR A 82 -9.412 -1.710 -15.461 1.00 0.00 O ATOM 730 CB THR A 82 -9.153 0.058 -12.508 1.00 0.00 C ATOM 731 OG1 THR A 82 -7.830 0.149 -12.007 1.00 0.00 O ATOM 732 CG2 THR A 82 -10.096 0.434 -11.388 1.00 0.00 C ATOM 0 H THR A 82 -8.205 -2.119 -11.577 1.00 0.00 H new ATOM 0 HA THR A 82 -10.504 -1.450 -13.226 1.00 0.00 H new ATOM 0 HB THR A 82 -9.304 0.749 -13.337 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.788 -0.260 -11.117 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.846 1.429 -11.020 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.121 0.431 -11.759 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.002 -0.287 -10.576 1.00 0.00 H new ATOM 740 N ASN A 83 -7.424 -1.304 -14.472 1.00 0.00 N ATOM 741 CA ASN A 83 -6.654 -1.398 -15.717 1.00 0.00 C ATOM 742 C ASN A 83 -5.156 -1.148 -15.493 1.00 0.00 C ATOM 743 O ASN A 83 -4.322 -1.705 -16.208 1.00 0.00 O ATOM 744 CB ASN A 83 -7.188 -0.402 -16.760 1.00 0.00 C ATOM 745 CG ASN A 83 -7.670 0.902 -16.140 1.00 0.00 C ATOM 746 OD1 ASN A 83 -8.871 1.155 -16.055 1.00 0.00 O ATOM 747 ND2 ASN A 83 -6.733 1.740 -15.708 1.00 0.00 N ATOM 0 H ASN A 83 -6.863 -1.106 -13.644 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.775 -2.417 -16.086 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.403 -0.186 -17.484 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.009 -0.863 -17.309 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.000 2.630 -15.288 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.747 1.493 -15.797 1.00 0.00 H new ATOM 754 N ASN A 84 -4.821 -0.298 -14.514 1.00 0.00 N ATOM 755 CA ASN A 84 -3.425 0.032 -14.217 1.00 0.00 C ATOM 756 C ASN A 84 -2.613 -1.215 -13.887 1.00 0.00 C ATOM 757 O ASN A 84 -2.642 -1.714 -12.760 1.00 0.00 O ATOM 758 CB ASN A 84 -3.346 1.021 -13.058 1.00 0.00 C ATOM 759 CG ASN A 84 -3.416 2.460 -13.527 1.00 0.00 C ATOM 760 OD1 ASN A 84 -2.394 3.132 -13.660 1.00 0.00 O ATOM 761 ND2 ASN A 84 -4.626 2.941 -13.784 1.00 0.00 N ATOM 0 H ASN A 84 -5.499 0.173 -13.915 1.00 0.00 H new ATOM 0 HA ASN A 84 -2.999 0.489 -15.111 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.162 0.828 -12.362 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -2.416 0.864 -12.511 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -4.735 3.903 -14.105 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -5.447 2.349 -13.660 1.00 0.00 H new ATOM 768 N VAL A 85 -1.890 -1.704 -14.886 1.00 0.00 N ATOM 769 CA VAL A 85 -1.057 -2.893 -14.732 1.00 0.00 C ATOM 770 C VAL A 85 0.196 -2.806 -15.606 1.00 0.00 C ATOM 771 O VAL A 85 0.239 -3.362 -16.706 1.00 0.00 O ATOM 772 CB VAL A 85 -1.836 -4.183 -15.082 1.00 0.00 C ATOM 773 CG1 VAL A 85 -1.003 -5.413 -14.762 1.00 0.00 C ATOM 774 CG2 VAL A 85 -3.166 -4.234 -14.341 1.00 0.00 C ATOM 0 H VAL A 85 -1.863 -1.293 -15.819 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.761 -2.936 -13.684 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.043 -4.172 -16.152 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.567 -6.311 -15.015 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.081 -5.389 -15.342 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.763 -5.423 -13.699 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.694 -5.150 -14.604 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.985 -4.216 -13.266 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.772 -3.373 -14.621 1.00 0.00 H new ATOM 784 N THR A 86 1.214 -2.106 -15.109 1.00 0.00 N ATOM 785 CA THR A 86 2.471 -1.952 -15.843 1.00 0.00 C ATOM 786 C THR A 86 3.688 -2.035 -14.911 1.00 0.00 C ATOM 787 O THR A 86 4.787 -1.620 -15.285 1.00 0.00 O ATOM 788 CB THR A 86 2.483 -0.621 -16.606 1.00 0.00 C ATOM 789 OG1 THR A 86 2.283 0.469 -15.721 1.00 0.00 O ATOM 790 CG2 THR A 86 1.426 -0.537 -17.688 1.00 0.00 C ATOM 0 H THR A 86 1.195 -1.637 -14.203 1.00 0.00 H new ATOM 0 HA THR A 86 2.539 -2.776 -16.554 1.00 0.00 H new ATOM 0 HB THR A 86 3.464 -0.571 -17.078 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.736 0.288 -14.871 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.492 0.430 -18.187 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.587 -1.332 -18.416 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.438 -0.648 -17.241 1.00 0.00 H new ATOM 798 N HIS A 87 3.491 -2.575 -13.701 1.00 0.00 N ATOM 799 CA HIS A 87 4.577 -2.708 -12.729 1.00 0.00 C ATOM 800 C HIS A 87 4.092 -3.387 -11.444 1.00 0.00 C ATOM 801 O HIS A 87 2.925 -3.768 -11.334 1.00 0.00 O ATOM 802 CB HIS A 87 5.174 -1.331 -12.403 1.00 0.00 C ATOM 803 CG HIS A 87 4.189 -0.369 -11.811 1.00 0.00 C ATOM 804 ND1 HIS A 87 3.347 0.414 -12.574 1.00 0.00 N ATOM 805 CD2 HIS A 87 3.912 -0.069 -10.520 1.00 0.00 C ATOM 806 CE1 HIS A 87 2.595 1.152 -11.778 1.00 0.00 C ATOM 807 NE2 HIS A 87 2.918 0.877 -10.527 1.00 0.00 N ATOM 0 H HIS A 87 2.590 -2.925 -13.375 1.00 0.00 H new ATOM 0 HA HIS A 87 5.349 -3.335 -13.175 1.00 0.00 H new ATOM 0 HB2 HIS A 87 6.004 -1.460 -11.708 1.00 0.00 H new ATOM 0 HB3 HIS A 87 5.586 -0.899 -13.315 1.00 0.00 H new ATOM 0 HD2 HIS A 87 4.385 -0.495 -9.648 1.00 0.00 H new ATOM 0 HE1 HIS A 87 1.844 1.860 -12.096 1.00 0.00 H new ATOM 0 HE2 HIS A 87 2.497 1.300 -9.700 1.00 0.00 H new ATOM 816 N LYS A 88 4.998 -3.529 -10.473 1.00 0.00 N ATOM 817 CA LYS A 88 4.671 -4.154 -9.191 1.00 0.00 C ATOM 818 C LYS A 88 5.084 -3.251 -8.026 1.00 0.00 C ATOM 819 O LYS A 88 5.655 -2.179 -8.236 1.00 0.00 O ATOM 820 CB LYS A 88 5.365 -5.513 -9.070 1.00 0.00 C ATOM 821 CG LYS A 88 4.874 -6.546 -10.072 1.00 0.00 C ATOM 822 CD LYS A 88 5.608 -7.869 -9.910 1.00 0.00 C ATOM 823 CE LYS A 88 6.930 -7.874 -10.665 1.00 0.00 C ATOM 824 NZ LYS A 88 6.742 -7.683 -12.131 1.00 0.00 N ATOM 0 H LYS A 88 5.966 -3.218 -10.552 1.00 0.00 H new ATOM 0 HA LYS A 88 3.592 -4.301 -9.150 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.438 -5.375 -9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 88 5.214 -5.899 -8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 88 3.804 -6.703 -9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.018 -6.170 -11.085 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.792 -8.056 -8.852 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.978 -8.682 -10.273 1.00 0.00 H new ATOM 0 HE2 LYS A 88 7.571 -7.083 -10.277 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.445 -8.818 -10.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.539 -8.113 -12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.854 -8.136 -12.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.701 -6.666 -12.346 1.00 0.00 H new ATOM 838 N ILE A 89 4.798 -3.689 -6.797 1.00 0.00 N ATOM 839 CA ILE A 89 5.149 -2.911 -5.610 1.00 0.00 C ATOM 840 C ILE A 89 6.310 -3.553 -4.849 1.00 0.00 C ATOM 841 O ILE A 89 6.104 -4.415 -3.991 1.00 0.00 O ATOM 842 CB ILE A 89 3.944 -2.744 -4.653 1.00 0.00 C ATOM 843 CG1 ILE A 89 2.715 -2.233 -5.413 1.00 0.00 C ATOM 844 CG2 ILE A 89 4.302 -1.794 -3.517 1.00 0.00 C ATOM 845 CD1 ILE A 89 1.454 -2.198 -4.572 1.00 0.00 C ATOM 0 H ILE A 89 4.328 -4.572 -6.600 1.00 0.00 H new ATOM 0 HA ILE A 89 5.452 -1.926 -5.965 1.00 0.00 H new ATOM 0 HB ILE A 89 3.701 -3.719 -4.230 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.920 -1.230 -5.787 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.545 -2.869 -6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.446 -1.685 -2.851 1.00 0.00 H new ATOM 0 HG22 ILE A 89 5.147 -2.196 -2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.569 -0.820 -3.928 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.625 -1.826 -5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 89 1.224 -3.203 -4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.605 -1.539 -3.717 1.00 0.00 H new ATOM 857 N THR A 90 7.531 -3.120 -5.164 1.00 0.00 N ATOM 858 CA THR A 90 8.730 -3.641 -4.506 1.00 0.00 C ATOM 859 C THR A 90 8.897 -3.013 -3.122 1.00 0.00 C ATOM 860 O THR A 90 8.062 -2.216 -2.695 1.00 0.00 O ATOM 861 CB THR A 90 9.972 -3.367 -5.363 1.00 0.00 C ATOM 862 OG1 THR A 90 10.317 -1.993 -5.324 1.00 0.00 O ATOM 863 CG2 THR A 90 9.798 -3.752 -6.817 1.00 0.00 C ATOM 0 H THR A 90 7.716 -2.409 -5.872 1.00 0.00 H new ATOM 0 HA THR A 90 8.616 -4.719 -4.388 1.00 0.00 H new ATOM 0 HB THR A 90 10.758 -3.986 -4.931 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.112 -1.840 -5.875 1.00 0.00 H new ATOM 0 HG21 THR A 90 10.714 -3.531 -7.364 1.00 0.00 H new ATOM 0 HG22 THR A 90 9.581 -4.818 -6.888 1.00 0.00 H new ATOM 0 HG23 THR A 90 8.973 -3.185 -7.247 1.00 0.00 H new ATOM 871 N GLU A 91 9.980 -3.368 -2.427 1.00 0.00 N ATOM 872 CA GLU A 91 10.243 -2.821 -1.096 1.00 0.00 C ATOM 873 C GLU A 91 10.260 -1.292 -1.132 1.00 0.00 C ATOM 874 O GLU A 91 9.757 -0.637 -0.219 1.00 0.00 O ATOM 875 CB GLU A 91 11.569 -3.350 -0.541 1.00 0.00 C ATOM 876 CG GLU A 91 11.527 -3.621 0.955 1.00 0.00 C ATOM 877 CD GLU A 91 12.876 -4.015 1.525 1.00 0.00 C ATOM 878 OE1 GLU A 91 13.461 -5.006 1.039 1.00 0.00 O ATOM 879 OE2 GLU A 91 13.344 -3.334 2.461 1.00 0.00 O ATOM 0 H GLU A 91 10.683 -4.027 -2.761 1.00 0.00 H new ATOM 0 HA GLU A 91 9.438 -3.145 -0.436 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.833 -4.270 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 91 12.357 -2.627 -0.751 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.168 -2.730 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.808 -4.416 1.154 1.00 0.00 H new ATOM 886 N ALA A 92 10.828 -0.731 -2.200 1.00 0.00 N ATOM 887 CA ALA A 92 10.893 0.721 -2.361 1.00 0.00 C ATOM 888 C ALA A 92 9.505 1.306 -2.634 1.00 0.00 C ATOM 889 O ALA A 92 9.145 2.352 -2.092 1.00 0.00 O ATOM 890 CB ALA A 92 11.857 1.088 -3.483 1.00 0.00 C ATOM 0 H ALA A 92 11.249 -1.259 -2.965 1.00 0.00 H new ATOM 0 HA ALA A 92 11.262 1.150 -1.429 1.00 0.00 H new ATOM 0 HB1 ALA A 92 11.894 2.172 -3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 92 12.852 0.712 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 92 11.515 0.642 -4.417 1.00 0.00 H new ATOM 896 N GLU A 93 8.735 0.622 -3.483 1.00 0.00 N ATOM 897 CA GLU A 93 7.387 1.069 -3.841 1.00 0.00 C ATOM 898 C GLU A 93 6.420 0.946 -2.665 1.00 0.00 C ATOM 899 O GLU A 93 5.617 1.845 -2.421 1.00 0.00 O ATOM 900 CB GLU A 93 6.853 0.259 -5.025 1.00 0.00 C ATOM 901 CG GLU A 93 7.443 0.670 -6.364 1.00 0.00 C ATOM 902 CD GLU A 93 6.568 1.662 -7.105 1.00 0.00 C ATOM 903 OE1 GLU A 93 5.581 1.227 -7.738 1.00 0.00 O ATOM 904 OE2 GLU A 93 6.867 2.873 -7.051 1.00 0.00 O ATOM 0 H GLU A 93 9.023 -0.245 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 93 7.458 2.121 -4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.062 -0.797 -4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 93 5.769 0.366 -5.068 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.428 1.108 -6.204 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.585 -0.217 -6.982 1.00 0.00 H new ATOM 911 N ILE A 94 6.490 -0.175 -1.947 1.00 0.00 N ATOM 912 CA ILE A 94 5.600 -0.408 -0.813 1.00 0.00 C ATOM 913 C ILE A 94 5.812 0.629 0.292 1.00 0.00 C ATOM 914 O ILE A 94 4.845 1.131 0.863 1.00 0.00 O ATOM 915 CB ILE A 94 5.760 -1.837 -0.240 1.00 0.00 C ATOM 916 CG1 ILE A 94 4.694 -2.106 0.824 1.00 0.00 C ATOM 917 CG2 ILE A 94 7.155 -2.055 0.332 1.00 0.00 C ATOM 918 CD1 ILE A 94 4.123 -3.505 0.761 1.00 0.00 C ATOM 0 H ILE A 94 7.150 -0.931 -2.130 1.00 0.00 H new ATOM 0 HA ILE A 94 4.583 -0.305 -1.190 1.00 0.00 H new ATOM 0 HB ILE A 94 5.625 -2.543 -1.059 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.127 -1.942 1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 94 3.885 -1.385 0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.233 -3.068 0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 94 7.897 -1.913 -0.454 1.00 0.00 H new ATOM 0 HG23 ILE A 94 7.335 -1.339 1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 94 3.373 -3.628 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.661 -3.666 -0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 94 4.922 -4.231 0.908 1.00 0.00 H new ATOM 930 N VAL A 95 7.071 0.964 0.575 1.00 0.00 N ATOM 931 CA VAL A 95 7.381 1.962 1.599 1.00 0.00 C ATOM 932 C VAL A 95 6.914 3.350 1.157 1.00 0.00 C ATOM 933 O VAL A 95 6.358 4.104 1.955 1.00 0.00 O ATOM 934 CB VAL A 95 8.893 2.010 1.923 1.00 0.00 C ATOM 935 CG1 VAL A 95 9.184 3.031 3.017 1.00 0.00 C ATOM 936 CG2 VAL A 95 9.403 0.634 2.328 1.00 0.00 C ATOM 0 H VAL A 95 7.887 0.562 0.114 1.00 0.00 H new ATOM 0 HA VAL A 95 6.848 1.665 2.502 1.00 0.00 H new ATOM 0 HB VAL A 95 9.419 2.319 1.020 1.00 0.00 H new ATOM 0 HG11 VAL A 95 10.254 3.045 3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 95 8.866 4.020 2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 95 8.641 2.759 3.922 1.00 0.00 H new ATOM 0 HG21 VAL A 95 10.468 0.692 2.551 1.00 0.00 H new ATOM 0 HG22 VAL A 95 8.865 0.292 3.212 1.00 0.00 H new ATOM 0 HG23 VAL A 95 9.241 -0.069 1.511 1.00 0.00 H new ATOM 946 N SER A 96 7.138 3.679 -0.119 1.00 0.00 N ATOM 947 CA SER A 96 6.731 4.977 -0.659 1.00 0.00 C ATOM 948 C SER A 96 5.212 5.138 -0.598 1.00 0.00 C ATOM 949 O SER A 96 4.711 6.177 -0.164 1.00 0.00 O ATOM 950 CB SER A 96 7.220 5.139 -2.102 1.00 0.00 C ATOM 951 OG SER A 96 8.588 5.509 -2.137 1.00 0.00 O ATOM 0 H SER A 96 7.597 3.067 -0.793 1.00 0.00 H new ATOM 0 HA SER A 96 7.187 5.754 -0.046 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.079 4.204 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 96 6.622 5.896 -2.609 1.00 0.00 H new ATOM 0 HG SER A 96 9.145 4.703 -2.149 1.00 0.00 H new ATOM 957 N ILE A 97 4.483 4.098 -1.011 1.00 0.00 N ATOM 958 CA ILE A 97 3.022 4.130 -0.975 1.00 0.00 C ATOM 959 C ILE A 97 2.535 4.105 0.473 1.00 0.00 C ATOM 960 O ILE A 97 1.608 4.827 0.841 1.00 0.00 O ATOM 961 CB ILE A 97 2.395 2.948 -1.753 1.00 0.00 C ATOM 962 CG1 ILE A 97 2.935 2.899 -3.188 1.00 0.00 C ATOM 963 CG2 ILE A 97 0.876 3.065 -1.763 1.00 0.00 C ATOM 964 CD1 ILE A 97 2.974 1.504 -3.777 1.00 0.00 C ATOM 0 H ILE A 97 4.879 3.230 -1.372 1.00 0.00 H new ATOM 0 HA ILE A 97 2.705 5.054 -1.459 1.00 0.00 H new ATOM 0 HB ILE A 97 2.670 2.021 -1.249 1.00 0.00 H new ATOM 0 HG12 ILE A 97 2.316 3.534 -3.822 1.00 0.00 H new ATOM 0 HG13 ILE A 97 3.941 3.318 -3.203 1.00 0.00 H new ATOM 0 HG21 ILE A 97 0.450 2.226 -2.314 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.503 3.053 -0.739 1.00 0.00 H new ATOM 0 HG23 ILE A 97 0.586 3.999 -2.244 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.367 1.549 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.617 0.869 -3.167 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.966 1.089 -3.796 1.00 0.00 H new ATOM 976 N LEU A 98 3.187 3.278 1.293 1.00 0.00 N ATOM 977 CA LEU A 98 2.848 3.159 2.709 1.00 0.00 C ATOM 978 C LEU A 98 3.067 4.491 3.431 1.00 0.00 C ATOM 979 O LEU A 98 2.240 4.909 4.244 1.00 0.00 O ATOM 980 CB LEU A 98 3.701 2.063 3.357 1.00 0.00 C ATOM 981 CG LEU A 98 3.562 1.930 4.875 1.00 0.00 C ATOM 982 CD1 LEU A 98 3.609 0.467 5.288 1.00 0.00 C ATOM 983 CD2 LEU A 98 4.651 2.726 5.584 1.00 0.00 C ATOM 0 H LEU A 98 3.957 2.678 0.996 1.00 0.00 H new ATOM 0 HA LEU A 98 1.795 2.892 2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 98 3.441 1.108 2.901 1.00 0.00 H new ATOM 0 HB3 LEU A 98 4.748 2.255 3.121 1.00 0.00 H new ATOM 0 HG LEU A 98 2.595 2.338 5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.509 0.391 6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 98 2.792 -0.073 4.809 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.560 0.032 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.536 2.619 6.663 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.630 2.351 5.285 1.00 0.00 H new ATOM 0 HD23 LEU A 98 4.568 3.778 5.313 1.00 0.00 H new ATOM 995 N ASN A 99 4.187 5.150 3.126 1.00 0.00 N ATOM 996 CA ASN A 99 4.522 6.436 3.738 1.00 0.00 C ATOM 997 C ASN A 99 3.493 7.504 3.371 1.00 0.00 C ATOM 998 O ASN A 99 3.161 8.362 4.190 1.00 0.00 O ATOM 999 CB ASN A 99 5.921 6.887 3.305 1.00 0.00 C ATOM 1000 CG ASN A 99 6.953 6.684 4.397 1.00 0.00 C ATOM 1001 OD1 ASN A 99 7.471 7.645 4.963 1.00 0.00 O ATOM 1002 ND2 ASN A 99 7.257 5.426 4.698 1.00 0.00 N ATOM 0 H ASN A 99 4.879 4.812 2.457 1.00 0.00 H new ATOM 0 HA ASN A 99 4.510 6.304 4.820 1.00 0.00 H new ATOM 0 HB2 ASN A 99 6.221 6.331 2.416 1.00 0.00 H new ATOM 0 HB3 ASN A 99 5.891 7.941 3.027 1.00 0.00 H new ATOM 0 HD21 ASN A 99 7.945 5.227 5.424 1.00 0.00 H new ATOM 0 HD22 ASN A 99 6.802 4.659 4.203 1.00 0.00 H new ATOM 1009 N GLY A 100 2.973 7.428 2.146 1.00 0.00 N ATOM 1010 CA GLY A 100 1.970 8.379 1.704 1.00 0.00 C ATOM 1011 C GLY A 100 0.627 8.099 2.344 1.00 0.00 C ATOM 1012 O GLY A 100 -0.118 9.021 2.679 1.00 0.00 O ATOM 0 H GLY A 100 3.230 6.724 1.454 1.00 0.00 H new ATOM 0 HA2 GLY A 100 2.290 9.391 1.953 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.875 8.333 0.619 1.00 0.00 H new ATOM 1016 N ILE A 101 0.335 6.814 2.528 1.00 0.00 N ATOM 1017 CA ILE A 101 -0.906 6.378 3.149 1.00 0.00 C ATOM 1018 C ILE A 101 -1.045 6.973 4.554 1.00 0.00 C ATOM 1019 O ILE A 101 -2.100 7.498 4.912 1.00 0.00 O ATOM 1020 CB ILE A 101 -0.961 4.833 3.224 1.00 0.00 C ATOM 1021 CG1 ILE A 101 -1.299 4.247 1.851 1.00 0.00 C ATOM 1022 CG2 ILE A 101 -1.963 4.368 4.268 1.00 0.00 C ATOM 1023 CD1 ILE A 101 -0.830 2.818 1.666 1.00 0.00 C ATOM 0 H ILE A 101 0.952 6.050 2.251 1.00 0.00 H new ATOM 0 HA ILE A 101 -1.734 6.731 2.535 1.00 0.00 H new ATOM 0 HB ILE A 101 0.023 4.473 3.525 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -2.378 4.288 1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.849 4.871 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -1.979 3.279 4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -1.675 4.753 5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -2.955 4.739 4.010 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -1.105 2.471 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 101 0.253 2.773 1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.300 2.181 2.415 1.00 0.00 H new ATOM 1035 N ALA A 102 0.034 6.894 5.336 1.00 0.00 N ATOM 1036 CA ALA A 102 0.042 7.431 6.697 1.00 0.00 C ATOM 1037 C ALA A 102 -0.231 8.935 6.703 1.00 0.00 C ATOM 1038 O ALA A 102 -0.846 9.456 7.635 1.00 0.00 O ATOM 1039 CB ALA A 102 1.368 7.129 7.381 1.00 0.00 C ATOM 0 H ALA A 102 0.913 6.463 5.049 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.759 6.943 7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.357 7.536 8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 102 1.517 6.050 7.425 1.00 0.00 H new ATOM 0 HB3 ALA A 102 2.181 7.585 6.816 1.00 0.00 H new ATOM 1045 N LYS A 103 0.226 9.627 5.658 1.00 0.00 N ATOM 1046 CA LYS A 103 0.024 11.071 5.542 1.00 0.00 C ATOM 1047 C LYS A 103 -1.466 11.410 5.476 1.00 0.00 C ATOM 1048 O LYS A 103 -1.917 12.378 6.089 1.00 0.00 O ATOM 1049 CB LYS A 103 0.739 11.612 4.300 1.00 0.00 C ATOM 1050 CG LYS A 103 1.174 13.063 4.430 1.00 0.00 C ATOM 1051 CD LYS A 103 1.674 13.617 3.106 1.00 0.00 C ATOM 1052 CE LYS A 103 0.526 14.104 2.236 1.00 0.00 C ATOM 1053 NZ LYS A 103 1.008 14.763 0.990 1.00 0.00 N ATOM 0 H LYS A 103 0.738 9.210 4.880 1.00 0.00 H new ATOM 0 HA LYS A 103 0.447 11.543 6.429 1.00 0.00 H new ATOM 0 HB2 LYS A 103 1.615 10.996 4.098 1.00 0.00 H new ATOM 0 HB3 LYS A 103 0.077 11.516 3.439 1.00 0.00 H new ATOM 0 HG2 LYS A 103 0.337 13.664 4.784 1.00 0.00 H new ATOM 0 HG3 LYS A 103 1.962 13.142 5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 103 2.365 14.439 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 103 2.232 12.846 2.575 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -0.114 13.261 1.976 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -0.086 14.805 2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 0.193 15.079 0.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.598 15.583 1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 1.570 14.087 0.435 1.00 0.00 H new ATOM 1067 N GLN A 104 -2.226 10.601 4.733 1.00 0.00 N ATOM 1068 CA GLN A 104 -3.667 10.809 4.594 1.00 0.00 C ATOM 1069 C GLN A 104 -4.376 10.642 5.938 1.00 0.00 C ATOM 1070 O GLN A 104 -5.279 11.411 6.270 1.00 0.00 O ATOM 1071 CB GLN A 104 -4.254 9.825 3.577 1.00 0.00 C ATOM 1072 CG GLN A 104 -3.712 9.999 2.166 1.00 0.00 C ATOM 1073 CD GLN A 104 -4.404 11.114 1.401 1.00 0.00 C ATOM 1074 OE1 GLN A 104 -5.430 11.639 1.835 1.00 0.00 O ATOM 1075 NE2 GLN A 104 -3.845 11.482 0.254 1.00 0.00 N ATOM 0 H GLN A 104 -1.866 9.797 4.219 1.00 0.00 H new ATOM 0 HA GLN A 104 -3.825 11.828 4.240 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -4.050 8.808 3.911 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -5.337 9.942 3.556 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -2.643 10.208 2.216 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -3.829 9.063 1.619 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -2.995 11.021 -0.070 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -4.266 12.226 -0.303 1.00 0.00 H new