USER MOD reduce.3.24.130724 H: found=0, std=0, add=517, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 519 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 25 ASN :FLIP amide:sc= -9.11! C(o=-17!,f=-14!) USER MOD Set 1.2: A 69 GLN : amide:sc= -5.06 K(o=-14,f=-15!) USER MOD Single : A 11 GLN : amide:sc= -2.32 X(o=-2.3,f=-2.5) USER MOD Single : A 18 SER OG : rot 31:sc= 0.0431 USER MOD Single : A 19 ASN : amide:sc= -0.0188 X(o=-0.019,f=-0.036) USER MOD Single : A 22 GLN : amide:sc= -0.839 K(o=-0.84,f=-2.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.0218 X(o=-0.022,f=-0.07) USER MOD Single : A 32 GLN : amide:sc= -1.28 K(o=-1.3,f=-4.3!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -102:sc= 0.125 USER MOD Single : A 51 HIS :FLIP no HD1:sc= -3.65! C(o=-5.2!,f=-3.6!) USER MOD Single : A 58 ASN : amide:sc= -5.12! C(o=-5.1!,f=-8.1!) USER MOD Single : A 60 GLN : amide:sc= -0.423 K(o=-0.42,f=-3.4!) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.233) USER MOD Single : A 68 SER OG : rot -72:sc= 0.945 USER MOD Single : A 73 TYR OH : rot -97:sc= -2.91! USER MOD Single : A 74 SER OG : rot 36:sc= 0.504 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 144 N ASP A 10 6.994 -6.214 5.143 1.00 0.00 N ATOM 145 CA ASP A 10 5.916 -5.527 4.451 1.00 0.00 C ATOM 146 C ASP A 10 5.651 -4.185 5.138 1.00 0.00 C ATOM 147 O ASP A 10 6.369 -3.802 6.059 1.00 0.00 O ATOM 148 CB ASP A 10 4.624 -6.344 4.496 1.00 0.00 C ATOM 149 CG ASP A 10 4.430 -7.310 3.326 1.00 0.00 C ATOM 150 OD1 ASP A 10 5.150 -7.135 2.318 1.00 0.00 O ATOM 151 OD2 ASP A 10 3.566 -8.204 3.465 1.00 0.00 O ATOM 0 HA ASP A 10 6.217 -5.385 3.413 1.00 0.00 H new ATOM 0 HB2 ASP A 10 4.604 -6.914 5.425 1.00 0.00 H new ATOM 0 HB3 ASP A 10 3.778 -5.657 4.525 1.00 0.00 H new ATOM 156 N GLN A 11 4.616 -3.508 4.661 1.00 0.00 N ATOM 157 CA GLN A 11 4.247 -2.217 5.216 1.00 0.00 C ATOM 158 C GLN A 11 2.895 -1.767 4.660 1.00 0.00 C ATOM 159 O GLN A 11 2.629 -1.915 3.469 1.00 0.00 O ATOM 160 CB GLN A 11 5.329 -1.171 4.941 1.00 0.00 C ATOM 161 CG GLN A 11 5.235 -0.011 5.933 1.00 0.00 C ATOM 162 CD GLN A 11 6.172 1.131 5.531 1.00 0.00 C ATOM 163 OE1 GLN A 11 7.386 1.011 5.558 1.00 0.00 O ATOM 164 NE2 GLN A 11 5.542 2.242 5.160 1.00 0.00 N ATOM 0 H GLN A 11 4.022 -3.829 3.897 1.00 0.00 H new ATOM 0 HA GLN A 11 4.157 -2.321 6.297 1.00 0.00 H new ATOM 0 HB2 GLN A 11 6.313 -1.634 5.010 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.225 -0.794 3.924 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.209 0.354 5.976 1.00 0.00 H new ATOM 0 HG3 GLN A 11 5.491 -0.361 6.933 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.523 2.275 5.161 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.078 3.061 4.875 1.00 0.00 H new ATOM 173 N VAL A 12 2.075 -1.227 5.551 1.00 0.00 N ATOM 174 CA VAL A 12 0.756 -0.755 5.164 1.00 0.00 C ATOM 175 C VAL A 12 0.815 0.752 4.904 1.00 0.00 C ATOM 176 O VAL A 12 1.798 1.406 5.247 1.00 0.00 O ATOM 177 CB VAL A 12 -0.271 -1.138 6.231 1.00 0.00 C ATOM 178 CG1 VAL A 12 -1.645 -1.383 5.605 1.00 0.00 C ATOM 179 CG2 VAL A 12 0.196 -2.358 7.028 1.00 0.00 C ATOM 0 H VAL A 12 2.299 -1.106 6.539 1.00 0.00 H new ATOM 0 HA VAL A 12 0.436 -1.233 4.238 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.364 -0.302 6.924 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.357 -1.654 6.385 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.983 -0.476 5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.575 -2.194 4.880 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.552 -2.609 7.780 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.331 -3.203 6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.142 -2.131 7.519 1.00 0.00 H new ATOM 189 N LEU A 13 -0.250 1.259 4.299 1.00 0.00 N ATOM 190 CA LEU A 13 -0.331 2.676 3.990 1.00 0.00 C ATOM 191 C LEU A 13 -1.796 3.062 3.775 1.00 0.00 C ATOM 192 O LEU A 13 -2.616 2.223 3.406 1.00 0.00 O ATOM 193 CB LEU A 13 0.575 3.018 2.806 1.00 0.00 C ATOM 194 CG LEU A 13 -0.039 2.842 1.416 1.00 0.00 C ATOM 195 CD1 LEU A 13 -0.445 4.192 0.821 1.00 0.00 C ATOM 196 CD2 LEU A 13 0.904 2.068 0.493 1.00 0.00 C ATOM 0 H LEU A 13 -1.064 0.713 4.015 1.00 0.00 H new ATOM 0 HA LEU A 13 0.037 3.271 4.826 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.899 4.054 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.469 2.397 2.867 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.948 2.249 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.879 4.038 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.180 4.669 1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.434 4.831 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.443 1.957 -0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.843 2.612 0.393 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.099 1.082 0.916 1.00 0.00 H new ATOM 208 N GLU A 14 -2.080 4.334 4.016 1.00 0.00 N ATOM 209 CA GLU A 14 -3.432 4.843 3.853 1.00 0.00 C ATOM 210 C GLU A 14 -3.582 5.527 2.492 1.00 0.00 C ATOM 211 O GLU A 14 -2.629 6.112 1.980 1.00 0.00 O ATOM 212 CB GLU A 14 -3.798 5.798 4.990 1.00 0.00 C ATOM 213 CG GLU A 14 -4.999 6.667 4.610 1.00 0.00 C ATOM 214 CD GLU A 14 -5.357 7.632 5.742 1.00 0.00 C ATOM 215 OE1 GLU A 14 -4.642 8.648 5.870 1.00 0.00 O ATOM 216 OE2 GLU A 14 -6.340 7.331 6.454 1.00 0.00 O ATOM 0 H GLU A 14 -1.397 5.027 4.323 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.124 4.001 3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.028 5.227 5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.944 6.434 5.225 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.773 7.230 3.705 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.855 6.032 4.384 1.00 0.00 H new ATOM 223 N ILE A 15 -4.784 5.429 1.946 1.00 0.00 N ATOM 224 CA ILE A 15 -5.071 6.030 0.655 1.00 0.00 C ATOM 225 C ILE A 15 -6.441 6.708 0.707 1.00 0.00 C ATOM 226 O ILE A 15 -7.388 6.161 1.269 1.00 0.00 O ATOM 227 CB ILE A 15 -4.941 4.992 -0.461 1.00 0.00 C ATOM 228 CG1 ILE A 15 -3.683 4.140 -0.273 1.00 0.00 C ATOM 229 CG2 ILE A 15 -4.980 5.659 -1.838 1.00 0.00 C ATOM 230 CD1 ILE A 15 -3.738 2.882 -1.143 1.00 0.00 C ATOM 0 H ILE A 15 -5.571 4.942 2.374 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.339 6.804 0.425 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.797 4.320 -0.404 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.801 4.726 -0.530 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.584 3.858 0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.886 4.899 -2.613 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.926 6.186 -1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.156 6.368 -1.923 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.833 2.294 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.608 2.286 -0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.813 3.168 -2.192 1.00 0.00 H new ATOM 242 N VAL A 16 -6.503 7.891 0.111 1.00 0.00 N ATOM 243 CA VAL A 16 -7.742 8.650 0.081 1.00 0.00 C ATOM 244 C VAL A 16 -8.005 9.136 -1.345 1.00 0.00 C ATOM 245 O VAL A 16 -7.514 10.191 -1.745 1.00 0.00 O ATOM 246 CB VAL A 16 -7.682 9.790 1.100 1.00 0.00 C ATOM 247 CG1 VAL A 16 -9.005 10.556 1.144 1.00 0.00 C ATOM 248 CG2 VAL A 16 -7.304 9.267 2.487 1.00 0.00 C ATOM 0 H VAL A 16 -5.715 8.342 -0.355 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.583 8.019 0.368 1.00 0.00 H new ATOM 0 HB VAL A 16 -6.904 10.484 0.781 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -8.935 11.361 1.876 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -9.214 10.977 0.161 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -9.809 9.877 1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.268 10.098 3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -8.048 8.542 2.818 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.326 8.788 2.441 1.00 0.00 H new ATOM 258 N PRO A 17 -8.797 8.323 -2.094 1.00 0.00 N ATOM 259 CA PRO A 17 -9.129 8.659 -3.468 1.00 0.00 C ATOM 260 C PRO A 17 -10.170 9.779 -3.521 1.00 0.00 C ATOM 261 O PRO A 17 -10.605 10.277 -2.484 1.00 0.00 O ATOM 262 CB PRO A 17 -9.622 7.359 -4.082 1.00 0.00 C ATOM 263 CG PRO A 17 -9.987 6.458 -2.914 1.00 0.00 C ATOM 264 CD PRO A 17 -9.393 7.065 -1.654 1.00 0.00 C ATOM 0 HA PRO A 17 -8.277 9.048 -4.025 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.485 7.533 -4.725 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -8.850 6.902 -4.701 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -11.070 6.372 -2.822 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -9.599 5.452 -3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -10.159 7.233 -0.897 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.646 6.406 -1.211 1.00 0.00 H new ATOM 272 N SER A 18 -10.539 10.142 -4.741 1.00 0.00 N ATOM 273 CA SER A 18 -11.521 11.194 -4.943 1.00 0.00 C ATOM 274 C SER A 18 -12.325 10.922 -6.216 1.00 0.00 C ATOM 275 O SER A 18 -13.550 11.029 -6.215 1.00 0.00 O ATOM 276 CB SER A 18 -10.849 12.566 -5.024 1.00 0.00 C ATOM 277 OG SER A 18 -10.741 13.184 -3.744 1.00 0.00 O ATOM 0 H SER A 18 -10.176 9.727 -5.599 1.00 0.00 H new ATOM 0 HA SER A 18 -12.197 11.200 -4.088 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.856 12.458 -5.459 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.421 13.211 -5.691 1.00 0.00 H new ATOM 0 HG SER A 18 -10.644 12.494 -3.055 1.00 0.00 H new ATOM 283 N ASN A 19 -11.603 10.573 -7.271 1.00 0.00 N ATOM 284 CA ASN A 19 -12.235 10.285 -8.547 1.00 0.00 C ATOM 285 C ASN A 19 -12.202 8.776 -8.797 1.00 0.00 C ATOM 286 O ASN A 19 -11.760 8.011 -7.941 1.00 0.00 O ATOM 287 CB ASN A 19 -11.493 10.971 -9.696 1.00 0.00 C ATOM 288 CG ASN A 19 -11.815 12.465 -9.743 1.00 0.00 C ATOM 289 OD1 ASN A 19 -12.957 12.877 -9.874 1.00 0.00 O ATOM 290 ND2 ASN A 19 -10.749 13.252 -9.626 1.00 0.00 N ATOM 0 H ASN A 19 -10.587 10.483 -7.268 1.00 0.00 H new ATOM 0 HA ASN A 19 -13.260 10.655 -8.508 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.419 10.831 -9.575 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.771 10.506 -10.642 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.859 14.266 -9.643 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.821 12.842 -9.519 1.00 0.00 H new ATOM 297 N GLU A 20 -12.676 8.393 -9.974 1.00 0.00 N ATOM 298 CA GLU A 20 -12.706 6.989 -10.347 1.00 0.00 C ATOM 299 C GLU A 20 -11.341 6.552 -10.880 1.00 0.00 C ATOM 300 O GLU A 20 -10.841 5.488 -10.518 1.00 0.00 O ATOM 301 CB GLU A 20 -13.807 6.720 -11.374 1.00 0.00 C ATOM 302 CG GLU A 20 -15.129 6.374 -10.684 1.00 0.00 C ATOM 303 CD GLU A 20 -15.834 7.638 -10.187 1.00 0.00 C ATOM 304 OE1 GLU A 20 -15.499 8.069 -9.062 1.00 0.00 O ATOM 305 OE2 GLU A 20 -16.691 8.144 -10.942 1.00 0.00 O ATOM 0 H GLU A 20 -13.042 9.030 -10.681 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.931 6.401 -9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.942 7.598 -12.006 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.508 5.900 -12.027 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -15.778 5.841 -11.379 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.941 5.704 -9.845 1.00 0.00 H new ATOM 312 N GLU A 21 -10.775 7.395 -11.732 1.00 0.00 N ATOM 313 CA GLU A 21 -9.478 7.108 -12.318 1.00 0.00 C ATOM 314 C GLU A 21 -8.484 6.693 -11.232 1.00 0.00 C ATOM 315 O GLU A 21 -7.865 5.634 -11.323 1.00 0.00 O ATOM 316 CB GLU A 21 -8.955 8.311 -13.108 1.00 0.00 C ATOM 317 CG GLU A 21 -7.440 8.222 -13.304 1.00 0.00 C ATOM 318 CD GLU A 21 -7.044 6.878 -13.917 1.00 0.00 C ATOM 319 OE1 GLU A 21 -7.623 6.543 -14.973 1.00 0.00 O ATOM 320 OE2 GLU A 21 -6.171 6.214 -13.317 1.00 0.00 O ATOM 0 H GLU A 21 -11.192 8.277 -12.030 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.592 6.278 -13.015 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.449 8.356 -14.079 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.204 9.232 -12.581 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.105 9.033 -13.951 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.938 8.350 -12.345 1.00 0.00 H new ATOM 327 N GLN A 22 -8.363 7.549 -10.228 1.00 0.00 N ATOM 328 CA GLN A 22 -7.455 7.284 -9.125 1.00 0.00 C ATOM 329 C GLN A 22 -7.746 5.911 -8.514 1.00 0.00 C ATOM 330 O GLN A 22 -6.825 5.157 -8.203 1.00 0.00 O ATOM 331 CB GLN A 22 -7.544 8.384 -8.065 1.00 0.00 C ATOM 332 CG GLN A 22 -6.545 9.507 -8.354 1.00 0.00 C ATOM 333 CD GLN A 22 -6.768 10.694 -7.416 1.00 0.00 C ATOM 334 OE1 GLN A 22 -6.925 10.548 -6.215 1.00 0.00 O ATOM 335 NE2 GLN A 22 -6.774 11.875 -8.029 1.00 0.00 N ATOM 0 H GLN A 22 -8.878 8.426 -10.155 1.00 0.00 H new ATOM 0 HA GLN A 22 -6.436 7.279 -9.513 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.555 8.790 -8.041 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -7.346 7.961 -7.080 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -5.528 9.133 -8.237 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.648 9.833 -9.389 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.636 11.926 -9.038 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -6.916 12.729 -7.490 1.00 0.00 H new ATOM 344 N ILE A 23 -9.032 5.628 -8.364 1.00 0.00 N ATOM 345 CA ILE A 23 -9.456 4.358 -7.798 1.00 0.00 C ATOM 346 C ILE A 23 -9.131 3.232 -8.780 1.00 0.00 C ATOM 347 O ILE A 23 -8.648 2.173 -8.380 1.00 0.00 O ATOM 348 CB ILE A 23 -10.932 4.417 -7.396 1.00 0.00 C ATOM 349 CG1 ILE A 23 -11.111 5.172 -6.077 1.00 0.00 C ATOM 350 CG2 ILE A 23 -11.542 3.016 -7.342 1.00 0.00 C ATOM 351 CD1 ILE A 23 -12.583 5.509 -5.834 1.00 0.00 C ATOM 0 H ILE A 23 -9.793 6.255 -8.624 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.907 4.148 -6.880 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.473 4.974 -8.162 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.732 4.567 -5.253 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.523 6.089 -6.096 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.591 3.087 -7.054 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.466 2.548 -8.323 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -11.005 2.413 -6.610 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -12.682 6.045 -4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -12.952 6.134 -6.647 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.165 4.588 -5.791 1.00 0.00 H new ATOM 363 N LYS A 24 -9.410 3.497 -10.048 1.00 0.00 N ATOM 364 CA LYS A 24 -9.153 2.519 -11.091 1.00 0.00 C ATOM 365 C LYS A 24 -7.658 2.199 -11.127 1.00 0.00 C ATOM 366 O LYS A 24 -7.251 1.176 -11.678 1.00 0.00 O ATOM 367 CB LYS A 24 -9.710 3.006 -12.431 1.00 0.00 C ATOM 368 CG LYS A 24 -8.943 2.386 -13.601 1.00 0.00 C ATOM 369 CD LYS A 24 -9.763 2.454 -14.892 1.00 0.00 C ATOM 370 CE LYS A 24 -8.974 3.142 -16.007 1.00 0.00 C ATOM 371 NZ LYS A 24 -9.856 4.034 -16.792 1.00 0.00 N ATOM 0 H LYS A 24 -9.812 4.375 -10.376 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.674 1.586 -10.875 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.766 2.747 -12.506 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -9.644 4.093 -12.483 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.997 2.910 -13.739 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.702 1.348 -13.373 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.039 1.447 -15.205 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -10.691 2.997 -14.710 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.154 3.718 -15.578 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.529 2.392 -16.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -9.304 4.493 -17.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -10.624 3.476 -17.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -10.260 4.760 -16.167 1.00 0.00 H new ATOM 385 N ASN A 25 -6.879 3.091 -10.533 1.00 0.00 N ATOM 386 CA ASN A 25 -5.437 2.916 -10.490 1.00 0.00 C ATOM 387 C ASN A 25 -5.101 1.700 -9.624 1.00 0.00 C ATOM 388 O ASN A 25 -4.351 0.821 -10.046 1.00 0.00 O ATOM 389 CB ASN A 25 -4.752 4.138 -9.876 1.00 0.00 C ATOM 390 CG ASN A 25 -3.352 4.335 -10.463 1.00 0.00 C ATOM 391 OD1 ASN A 25 -2.369 4.169 -9.582 1.00 0.00 O flip ATOM 392 ND2 ASN A 25 -3.177 4.618 -11.636 1.00 0.00 N flip ATOM 0 H ASN A 25 -7.219 3.938 -10.077 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.083 2.780 -11.512 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -5.355 5.027 -10.059 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.683 4.016 -8.795 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.977 4.731 -12.258 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -2.230 4.742 -11.995 1.00 0.00 H new ATOM 399 N LEU A 26 -5.672 1.691 -8.428 1.00 0.00 N ATOM 400 CA LEU A 26 -5.442 0.597 -7.499 1.00 0.00 C ATOM 401 C LEU A 26 -5.932 -0.711 -8.125 1.00 0.00 C ATOM 402 O LEU A 26 -5.244 -1.728 -8.062 1.00 0.00 O ATOM 403 CB LEU A 26 -6.078 0.906 -6.141 1.00 0.00 C ATOM 404 CG LEU A 26 -5.181 1.617 -5.127 1.00 0.00 C ATOM 405 CD1 LEU A 26 -5.945 1.917 -3.835 1.00 0.00 C ATOM 406 CD2 LEU A 26 -3.905 0.816 -4.865 1.00 0.00 C ATOM 0 H LEU A 26 -6.292 2.423 -8.081 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.376 0.478 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.962 1.521 -6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.419 -0.031 -5.700 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.878 2.574 -5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.284 2.423 -3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.798 2.558 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.298 0.984 -3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.286 1.345 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.166 -0.166 -4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.352 0.698 -5.797 1.00 0.00 H new ATOM 418 N LEU A 27 -7.116 -0.640 -8.714 1.00 0.00 N ATOM 419 CA LEU A 27 -7.706 -1.805 -9.350 1.00 0.00 C ATOM 420 C LEU A 27 -6.682 -2.436 -10.297 1.00 0.00 C ATOM 421 O LEU A 27 -6.396 -3.628 -10.202 1.00 0.00 O ATOM 422 CB LEU A 27 -9.025 -1.434 -10.031 1.00 0.00 C ATOM 423 CG LEU A 27 -10.272 -1.481 -9.146 1.00 0.00 C ATOM 424 CD1 LEU A 27 -10.958 -0.115 -9.091 1.00 0.00 C ATOM 425 CD2 LEU A 27 -11.229 -2.584 -9.604 1.00 0.00 C ATOM 0 H LEU A 27 -7.683 0.206 -8.764 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.960 -2.558 -8.604 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.930 -0.427 -10.438 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.177 -2.107 -10.875 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.960 -1.726 -8.131 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -11.841 -0.177 -8.455 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.268 0.623 -8.682 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.255 0.184 -10.096 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -12.107 -2.595 -8.958 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.538 -2.394 -10.632 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.725 -3.549 -9.549 1.00 0.00 H new ATOM 437 N GLN A 28 -6.158 -1.607 -11.189 1.00 0.00 N ATOM 438 CA GLN A 28 -5.173 -2.069 -12.151 1.00 0.00 C ATOM 439 C GLN A 28 -3.981 -2.701 -11.429 1.00 0.00 C ATOM 440 O GLN A 28 -3.417 -3.687 -11.900 1.00 0.00 O ATOM 441 CB GLN A 28 -4.719 -0.927 -13.062 1.00 0.00 C ATOM 442 CG GLN A 28 -4.367 -1.446 -14.458 1.00 0.00 C ATOM 443 CD GLN A 28 -2.908 -1.140 -14.804 1.00 0.00 C ATOM 444 OE1 GLN A 28 -2.445 -0.016 -14.713 1.00 0.00 O ATOM 445 NE2 GLN A 28 -2.215 -2.202 -15.206 1.00 0.00 N ATOM 0 H GLN A 28 -6.398 -0.618 -11.265 1.00 0.00 H new ATOM 0 HA GLN A 28 -5.637 -2.829 -12.780 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.509 -0.180 -13.136 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.852 -0.431 -12.625 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.538 -2.522 -14.504 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.024 -0.987 -15.197 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.666 -3.115 -15.259 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.232 -2.103 -15.461 1.00 0.00 H new ATOM 454 N LEU A 29 -3.633 -2.107 -10.297 1.00 0.00 N ATOM 455 CA LEU A 29 -2.519 -2.599 -9.506 1.00 0.00 C ATOM 456 C LEU A 29 -2.897 -3.945 -8.881 1.00 0.00 C ATOM 457 O LEU A 29 -2.300 -4.971 -9.201 1.00 0.00 O ATOM 458 CB LEU A 29 -2.082 -1.548 -8.484 1.00 0.00 C ATOM 459 CG LEU A 29 -1.192 -2.049 -7.345 1.00 0.00 C ATOM 460 CD1 LEU A 29 0.278 -2.074 -7.768 1.00 0.00 C ATOM 461 CD2 LEU A 29 -1.410 -1.224 -6.075 1.00 0.00 C ATOM 0 H LEU A 29 -4.103 -1.289 -9.909 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.650 -2.774 -10.140 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.551 -0.756 -9.012 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.975 -1.099 -8.050 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.478 -3.075 -7.114 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.889 -2.434 -6.940 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.399 -2.738 -8.624 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.595 -1.068 -8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.765 -1.601 -5.281 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.168 -0.180 -6.273 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.452 -1.303 -5.764 1.00 0.00 H new ATOM 473 N GLU A 30 -3.887 -3.895 -8.002 1.00 0.00 N ATOM 474 CA GLU A 30 -4.352 -5.096 -7.330 1.00 0.00 C ATOM 475 C GLU A 30 -4.620 -6.205 -8.349 1.00 0.00 C ATOM 476 O GLU A 30 -4.459 -7.386 -8.045 1.00 0.00 O ATOM 477 CB GLU A 30 -5.600 -4.808 -6.493 1.00 0.00 C ATOM 478 CG GLU A 30 -5.697 -5.766 -5.304 1.00 0.00 C ATOM 479 CD GLU A 30 -7.115 -6.321 -5.162 1.00 0.00 C ATOM 480 OE1 GLU A 30 -7.920 -5.655 -4.474 1.00 0.00 O ATOM 481 OE2 GLU A 30 -7.364 -7.400 -5.743 1.00 0.00 O ATOM 0 H GLU A 30 -4.380 -3.041 -7.740 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.569 -5.434 -6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.572 -3.779 -6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.490 -4.904 -7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.993 -6.587 -5.436 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.413 -5.246 -4.389 1.00 0.00 H new ATOM 488 N ALA A 31 -5.024 -5.786 -9.540 1.00 0.00 N ATOM 489 CA ALA A 31 -5.314 -6.729 -10.607 1.00 0.00 C ATOM 490 C ALA A 31 -4.043 -7.506 -10.955 1.00 0.00 C ATOM 491 O ALA A 31 -4.070 -8.730 -11.067 1.00 0.00 O ATOM 492 CB ALA A 31 -5.887 -5.978 -11.810 1.00 0.00 C ATOM 0 H ALA A 31 -5.157 -4.806 -9.789 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.064 -7.452 -10.287 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.105 -6.685 -12.610 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.805 -5.468 -11.517 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -5.161 -5.245 -12.161 1.00 0.00 H new ATOM 498 N GLN A 32 -2.958 -6.762 -11.117 1.00 0.00 N ATOM 499 CA GLN A 32 -1.680 -7.365 -11.452 1.00 0.00 C ATOM 500 C GLN A 32 -1.379 -8.529 -10.505 1.00 0.00 C ATOM 501 O GLN A 32 -0.945 -8.318 -9.374 1.00 0.00 O ATOM 502 CB GLN A 32 -0.558 -6.326 -11.416 1.00 0.00 C ATOM 503 CG GLN A 32 -0.379 -5.665 -12.784 1.00 0.00 C ATOM 504 CD GLN A 32 0.202 -6.653 -13.799 1.00 0.00 C ATOM 505 OE1 GLN A 32 -0.429 -7.619 -14.193 1.00 0.00 O ATOM 506 NE2 GLN A 32 1.437 -6.358 -14.196 1.00 0.00 N ATOM 0 H GLN A 32 -2.938 -5.747 -11.022 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.738 -7.754 -12.469 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.785 -5.566 -10.668 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.374 -6.803 -11.114 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.340 -5.294 -13.141 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.281 -4.803 -12.692 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.908 -5.533 -13.826 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.913 -6.957 -14.871 1.00 0.00 H new ATOM 584 N LEU A 37 -2.052 -7.319 -4.275 1.00 0.00 N ATOM 585 CA LEU A 37 -2.177 -6.718 -2.959 1.00 0.00 C ATOM 586 C LEU A 37 -3.626 -6.839 -2.483 1.00 0.00 C ATOM 587 O LEU A 37 -4.543 -6.944 -3.296 1.00 0.00 O ATOM 588 CB LEU A 37 -1.652 -5.280 -2.975 1.00 0.00 C ATOM 589 CG LEU A 37 -0.485 -5.002 -3.924 1.00 0.00 C ATOM 590 CD1 LEU A 37 -0.865 -3.950 -4.967 1.00 0.00 C ATOM 591 CD2 LEU A 37 0.772 -4.610 -3.145 1.00 0.00 C ATOM 0 HA LEU A 37 -1.559 -7.251 -2.236 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.475 -4.617 -3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.343 -5.016 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.256 -5.921 -4.464 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.018 -3.771 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.713 -4.307 -5.552 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.136 -3.021 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.587 -4.418 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.573 -3.711 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.052 -5.422 -2.474 1.00 0.00 H new ATOM 603 N ASP A 38 -3.786 -6.820 -1.168 1.00 0.00 N ATOM 604 CA ASP A 38 -5.108 -6.927 -0.575 1.00 0.00 C ATOM 605 C ASP A 38 -5.490 -5.586 0.056 1.00 0.00 C ATOM 606 O ASP A 38 -4.735 -5.037 0.858 1.00 0.00 O ATOM 607 CB ASP A 38 -5.134 -7.990 0.526 1.00 0.00 C ATOM 608 CG ASP A 38 -5.498 -9.399 0.054 1.00 0.00 C ATOM 609 OD1 ASP A 38 -5.074 -9.749 -1.069 1.00 0.00 O ATOM 610 OD2 ASP A 38 -6.191 -10.097 0.827 1.00 0.00 O ATOM 0 H ASP A 38 -3.023 -6.732 -0.497 1.00 0.00 H new ATOM 0 HA ASP A 38 -5.808 -7.205 -1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.154 -8.024 1.001 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.848 -7.683 1.290 1.00 0.00 H new ATOM 615 N PHE A 39 -6.658 -5.097 -0.331 1.00 0.00 N ATOM 616 CA PHE A 39 -7.148 -3.831 0.187 1.00 0.00 C ATOM 617 C PHE A 39 -8.038 -4.047 1.411 1.00 0.00 C ATOM 618 O PHE A 39 -9.001 -4.811 1.358 1.00 0.00 O ATOM 619 CB PHE A 39 -7.978 -3.186 -0.925 1.00 0.00 C ATOM 620 CG PHE A 39 -7.170 -2.812 -2.169 1.00 0.00 C ATOM 621 CD1 PHE A 39 -5.930 -2.268 -2.037 1.00 0.00 C ATOM 622 CD2 PHE A 39 -7.690 -3.026 -3.408 1.00 0.00 C ATOM 623 CE1 PHE A 39 -5.180 -1.922 -3.192 1.00 0.00 C ATOM 624 CE2 PHE A 39 -6.940 -2.681 -4.562 1.00 0.00 C ATOM 625 CZ PHE A 39 -5.701 -2.135 -4.430 1.00 0.00 C ATOM 0 H PHE A 39 -7.280 -5.555 -0.998 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.310 -3.202 0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -8.774 -3.872 -1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.457 -2.289 -0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.516 -2.099 -1.054 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.674 -3.459 -3.513 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.196 -1.490 -3.087 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.353 -2.852 -5.545 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.131 -1.871 -5.308 1.00 0.00 H new ATOM 635 N TRP A 40 -7.685 -3.360 2.488 1.00 0.00 N ATOM 636 CA TRP A 40 -8.440 -3.467 3.725 1.00 0.00 C ATOM 637 C TRP A 40 -9.868 -2.996 3.449 1.00 0.00 C ATOM 638 O TRP A 40 -10.830 -3.698 3.763 1.00 0.00 O ATOM 639 CB TRP A 40 -7.760 -2.687 4.852 1.00 0.00 C ATOM 640 CG TRP A 40 -6.638 -3.455 5.552 1.00 0.00 C ATOM 641 CD1 TRP A 40 -6.009 -4.562 5.133 1.00 0.00 C ATOM 642 CD2 TRP A 40 -6.032 -3.127 6.820 1.00 0.00 C ATOM 643 NE1 TRP A 40 -5.047 -4.970 6.033 1.00 0.00 N ATOM 644 CE2 TRP A 40 -5.061 -4.069 7.093 1.00 0.00 C ATOM 645 CE3 TRP A 40 -6.296 -2.070 7.708 1.00 0.00 C ATOM 646 CZ2 TRP A 40 -4.277 -4.048 8.252 1.00 0.00 C ATOM 647 CZ3 TRP A 40 -5.503 -2.063 8.862 1.00 0.00 C ATOM 648 CH2 TRP A 40 -4.522 -3.003 9.151 1.00 0.00 C ATOM 0 H TRP A 40 -6.886 -2.727 2.529 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.475 -4.501 4.067 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -7.353 -1.761 4.445 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -8.511 -2.408 5.591 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.228 -5.071 4.206 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.438 -5.783 5.939 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.051 -1.322 7.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.523 -4.798 8.443 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -5.666 -1.271 9.578 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.951 -2.928 10.065 1.00 0.00 H new ATOM 659 N LYS A 41 -9.965 -1.810 2.865 1.00 0.00 N ATOM 660 CA LYS A 41 -11.260 -1.237 2.543 1.00 0.00 C ATOM 661 C LYS A 41 -11.544 -1.434 1.053 1.00 0.00 C ATOM 662 O LYS A 41 -10.818 -2.154 0.368 1.00 0.00 O ATOM 663 CB LYS A 41 -11.327 0.223 2.994 1.00 0.00 C ATOM 664 CG LYS A 41 -11.851 0.331 4.427 1.00 0.00 C ATOM 665 CD LYS A 41 -12.790 1.529 4.579 1.00 0.00 C ATOM 666 CE LYS A 41 -14.086 1.313 3.796 1.00 0.00 C ATOM 667 NZ LYS A 41 -15.140 0.764 4.679 1.00 0.00 N ATOM 0 H LYS A 41 -9.166 -1.230 2.607 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.051 -1.752 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.336 0.673 2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.976 0.785 2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -12.378 -0.585 4.695 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.014 0.431 5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.020 1.684 5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -12.293 2.432 4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.419 2.257 3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.907 0.630 2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.013 0.623 4.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.826 -0.147 5.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -15.323 1.430 5.457 1.00 0.00 H new ATOM 681 N SER A 42 -12.601 -0.781 0.593 1.00 0.00 N ATOM 682 CA SER A 42 -12.990 -0.875 -0.804 1.00 0.00 C ATOM 683 C SER A 42 -12.739 0.461 -1.508 1.00 0.00 C ATOM 684 O SER A 42 -13.526 1.396 -1.371 1.00 0.00 O ATOM 685 CB SER A 42 -14.459 -1.278 -0.941 1.00 0.00 C ATOM 686 OG SER A 42 -14.893 -2.091 0.147 1.00 0.00 O ATOM 0 H SER A 42 -13.200 -0.184 1.163 1.00 0.00 H new ATOM 0 HA SER A 42 -12.384 -1.648 -1.276 1.00 0.00 H new ATOM 0 HB2 SER A 42 -15.077 -0.382 -0.993 1.00 0.00 H new ATOM 0 HB3 SER A 42 -14.601 -1.819 -1.877 1.00 0.00 H new ATOM 0 HG SER A 42 -15.836 -2.326 0.024 1.00 0.00 H new ATOM 692 N PRO A 43 -11.610 0.507 -2.266 1.00 0.00 N ATOM 693 CA PRO A 43 -11.246 1.712 -2.991 1.00 0.00 C ATOM 694 C PRO A 43 -12.126 1.894 -4.229 1.00 0.00 C ATOM 695 O PRO A 43 -12.185 2.984 -4.799 1.00 0.00 O ATOM 696 CB PRO A 43 -9.774 1.538 -3.330 1.00 0.00 C ATOM 697 CG PRO A 43 -9.488 0.051 -3.191 1.00 0.00 C ATOM 698 CD PRO A 43 -10.655 -0.581 -2.451 1.00 0.00 C ATOM 0 HA PRO A 43 -11.402 2.618 -2.405 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.563 1.884 -4.342 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.146 2.121 -2.656 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.365 -0.407 -4.172 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.558 -0.109 -2.645 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -11.092 -1.398 -3.025 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.339 -0.997 -1.494 1.00 0.00 H new ATOM 706 N THR A 44 -12.788 0.812 -4.610 1.00 0.00 N ATOM 707 CA THR A 44 -13.663 0.838 -5.770 1.00 0.00 C ATOM 708 C THR A 44 -14.422 2.165 -5.834 1.00 0.00 C ATOM 709 O THR A 44 -14.759 2.640 -6.918 1.00 0.00 O ATOM 710 CB THR A 44 -14.580 -0.385 -5.699 1.00 0.00 C ATOM 711 OG1 THR A 44 -13.866 -1.395 -6.404 1.00 0.00 O ATOM 712 CG2 THR A 44 -15.864 -0.200 -6.510 1.00 0.00 C ATOM 0 H THR A 44 -12.736 -0.089 -4.136 1.00 0.00 H new ATOM 0 HA THR A 44 -13.093 0.780 -6.697 1.00 0.00 H new ATOM 0 HB THR A 44 -14.834 -0.590 -4.659 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.388 -2.224 -6.405 1.00 0.00 H new ATOM 0 HG21 THR A 44 -16.479 -1.096 -6.426 1.00 0.00 H new ATOM 0 HG22 THR A 44 -16.417 0.657 -6.126 1.00 0.00 H new ATOM 0 HG23 THR A 44 -15.612 -0.029 -7.557 1.00 0.00 H new ATOM 720 N THR A 45 -14.670 2.726 -4.660 1.00 0.00 N ATOM 721 CA THR A 45 -15.384 3.988 -4.570 1.00 0.00 C ATOM 722 C THR A 45 -14.594 4.989 -3.723 1.00 0.00 C ATOM 723 O THR A 45 -13.794 4.594 -2.875 1.00 0.00 O ATOM 724 CB THR A 45 -16.784 3.702 -4.023 1.00 0.00 C ATOM 725 OG1 THR A 45 -16.577 3.500 -2.627 1.00 0.00 O ATOM 726 CG2 THR A 45 -17.343 2.365 -4.514 1.00 0.00 C ATOM 0 H THR A 45 -14.389 2.330 -3.763 1.00 0.00 H new ATOM 0 HA THR A 45 -15.491 4.452 -5.550 1.00 0.00 H new ATOM 0 HB THR A 45 -17.459 4.507 -4.315 1.00 0.00 H new ATOM 0 HG1 THR A 45 -17.435 3.310 -2.193 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.338 2.211 -4.096 1.00 0.00 H new ATOM 0 HG22 THR A 45 -17.404 2.374 -5.602 1.00 0.00 H new ATOM 0 HG23 THR A 45 -16.686 1.556 -4.194 1.00 0.00 H new ATOM 734 N PRO A 46 -14.852 6.297 -3.989 1.00 0.00 N ATOM 735 CA PRO A 46 -14.174 7.356 -3.262 1.00 0.00 C ATOM 736 C PRO A 46 -14.737 7.497 -1.846 1.00 0.00 C ATOM 737 O PRO A 46 -15.473 6.630 -1.378 1.00 0.00 O ATOM 738 CB PRO A 46 -14.372 8.604 -4.107 1.00 0.00 C ATOM 739 CG PRO A 46 -15.540 8.299 -5.032 1.00 0.00 C ATOM 740 CD PRO A 46 -15.792 6.801 -4.986 1.00 0.00 C ATOM 0 HA PRO A 46 -13.113 7.154 -3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.585 9.470 -3.481 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.473 8.837 -4.677 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -16.429 8.845 -4.717 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -15.314 8.617 -6.050 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -16.822 6.581 -4.706 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.621 6.341 -5.959 1.00 0.00 H new ATOM 748 N GLY A 47 -14.371 8.597 -1.204 1.00 0.00 N ATOM 749 CA GLY A 47 -14.831 8.862 0.148 1.00 0.00 C ATOM 750 C GLY A 47 -14.609 7.648 1.051 1.00 0.00 C ATOM 751 O GLY A 47 -15.263 7.509 2.083 1.00 0.00 O ATOM 0 H GLY A 47 -13.761 9.315 -1.595 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.301 9.723 0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -15.890 9.119 0.132 1.00 0.00 H new ATOM 755 N GLU A 48 -13.683 6.799 0.629 1.00 0.00 N ATOM 756 CA GLU A 48 -13.367 5.600 1.387 1.00 0.00 C ATOM 757 C GLU A 48 -11.853 5.388 1.438 1.00 0.00 C ATOM 758 O GLU A 48 -11.211 5.215 0.403 1.00 0.00 O ATOM 759 CB GLU A 48 -14.072 4.376 0.798 1.00 0.00 C ATOM 760 CG GLU A 48 -15.589 4.572 0.783 1.00 0.00 C ATOM 761 CD GLU A 48 -16.305 3.358 1.379 1.00 0.00 C ATOM 762 OE1 GLU A 48 -16.307 3.257 2.625 1.00 0.00 O ATOM 763 OE2 GLU A 48 -16.833 2.559 0.576 1.00 0.00 O ATOM 0 H GLU A 48 -13.142 6.918 -0.227 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.731 5.732 2.406 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.714 4.199 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -13.822 3.491 1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.849 5.466 1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -15.928 4.733 -0.240 1.00 0.00 H new ATOM 770 N THR A 49 -11.325 5.408 2.654 1.00 0.00 N ATOM 771 CA THR A 49 -9.898 5.221 2.853 1.00 0.00 C ATOM 772 C THR A 49 -9.525 3.747 2.687 1.00 0.00 C ATOM 773 O THR A 49 -10.279 2.863 3.092 1.00 0.00 O ATOM 774 CB THR A 49 -9.533 5.789 4.225 1.00 0.00 C ATOM 775 OG1 THR A 49 -10.608 5.381 5.066 1.00 0.00 O ATOM 776 CG2 THR A 49 -9.593 7.318 4.262 1.00 0.00 C ATOM 0 H THR A 49 -11.860 5.551 3.511 1.00 0.00 H new ATOM 0 HA THR A 49 -9.321 5.757 2.100 1.00 0.00 H new ATOM 0 HB THR A 49 -8.531 5.458 4.499 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.214 6.137 5.212 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.325 7.669 5.259 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.894 7.727 3.533 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.603 7.648 4.021 1.00 0.00 H new ATOM 784 N ALA A 50 -8.362 3.527 2.091 1.00 0.00 N ATOM 785 CA ALA A 50 -7.881 2.175 1.867 1.00 0.00 C ATOM 786 C ALA A 50 -6.595 1.956 2.668 1.00 0.00 C ATOM 787 O ALA A 50 -5.886 2.910 2.982 1.00 0.00 O ATOM 788 CB ALA A 50 -7.679 1.946 0.368 1.00 0.00 C ATOM 0 H ALA A 50 -7.739 4.262 1.757 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.614 1.446 2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.318 0.931 0.200 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.627 2.085 -0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.948 2.659 -0.014 1.00 0.00 H new ATOM 794 N HIS A 51 -6.336 0.693 2.976 1.00 0.00 N ATOM 795 CA HIS A 51 -5.149 0.337 3.735 1.00 0.00 C ATOM 796 C HIS A 51 -4.704 -1.076 3.358 1.00 0.00 C ATOM 797 O HIS A 51 -5.257 -2.058 3.852 1.00 0.00 O ATOM 798 CB HIS A 51 -5.395 0.501 5.237 1.00 0.00 C ATOM 799 CG HIS A 51 -6.433 1.542 5.578 1.00 0.00 C ATOM 800 ND1 HIS A 51 -6.406 2.901 5.462 1.00 0.00 N flip ATOM 801 CD2 HIS A 51 -7.671 1.221 6.109 1.00 0.00 C flip ATOM 802 CE1 HIS A 51 -7.564 3.383 5.896 1.00 0.00 C flip ATOM 803 NE2 HIS A 51 -8.349 2.343 6.298 1.00 0.00 N flip ATOM 0 H HIS A 51 -6.927 -0.096 2.714 1.00 0.00 H new ATOM 0 HA HIS A 51 -4.334 1.016 3.483 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -5.707 -0.458 5.651 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -4.456 0.767 5.722 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.024 0.225 6.331 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.839 4.427 5.926 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -9.293 2.416 6.678 1.00 0.00 H new ATOM 812 N VAL A 52 -3.709 -1.137 2.486 1.00 0.00 N ATOM 813 CA VAL A 52 -3.182 -2.414 2.037 1.00 0.00 C ATOM 814 C VAL A 52 -1.735 -2.560 2.511 1.00 0.00 C ATOM 815 O VAL A 52 -0.995 -1.579 2.569 1.00 0.00 O ATOM 816 CB VAL A 52 -3.330 -2.536 0.519 1.00 0.00 C ATOM 817 CG1 VAL A 52 -3.243 -1.164 -0.152 1.00 0.00 C ATOM 818 CG2 VAL A 52 -2.287 -3.496 -0.058 1.00 0.00 C ATOM 0 H VAL A 52 -3.253 -0.321 2.078 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.750 -3.236 2.473 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.317 -2.949 0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.351 -1.279 -1.231 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.039 -0.523 0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.277 -0.711 0.070 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.414 -3.565 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.287 -3.125 0.167 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.416 -4.483 0.386 1.00 0.00 H new ATOM 828 N ARG A 53 -1.374 -3.792 2.836 1.00 0.00 N ATOM 829 CA ARG A 53 -0.028 -4.079 3.303 1.00 0.00 C ATOM 830 C ARG A 53 0.914 -4.282 2.115 1.00 0.00 C ATOM 831 O ARG A 53 1.111 -5.407 1.660 1.00 0.00 O ATOM 832 CB ARG A 53 -0.005 -5.331 4.183 1.00 0.00 C ATOM 833 CG ARG A 53 -1.009 -5.212 5.332 1.00 0.00 C ATOM 834 CD ARG A 53 -0.811 -6.336 6.351 1.00 0.00 C ATOM 835 NE ARG A 53 -1.437 -7.583 5.858 1.00 0.00 N ATOM 836 CZ ARG A 53 -1.584 -8.692 6.596 1.00 0.00 C ATOM 837 NH1 ARG A 53 -1.151 -8.716 7.864 1.00 0.00 N ATOM 838 NH2 ARG A 53 -2.164 -9.777 6.066 1.00 0.00 N ATOM 0 H ARG A 53 -1.990 -4.603 2.785 1.00 0.00 H new ATOM 0 HA ARG A 53 0.306 -3.227 3.895 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.239 -6.208 3.580 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.997 -5.479 4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.892 -4.246 5.823 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.025 -5.248 4.938 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.253 -6.497 6.524 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.250 -6.052 7.307 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.778 -7.599 4.897 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -0.709 -7.890 8.268 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.263 -9.560 8.425 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.494 -9.759 5.101 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.276 -10.621 6.628 1.00 0.00 H new ATOM 852 N VAL A 54 1.471 -3.174 1.646 1.00 0.00 N ATOM 853 CA VAL A 54 2.387 -3.217 0.519 1.00 0.00 C ATOM 854 C VAL A 54 3.790 -3.565 1.021 1.00 0.00 C ATOM 855 O VAL A 54 4.191 -3.136 2.101 1.00 0.00 O ATOM 856 CB VAL A 54 2.338 -1.892 -0.245 1.00 0.00 C ATOM 857 CG1 VAL A 54 2.459 -0.703 0.711 1.00 0.00 C ATOM 858 CG2 VAL A 54 3.422 -1.841 -1.324 1.00 0.00 C ATOM 0 H VAL A 54 1.305 -2.242 2.026 1.00 0.00 H new ATOM 0 HA VAL A 54 2.091 -3.995 -0.185 1.00 0.00 H new ATOM 0 HB VAL A 54 1.369 -1.826 -0.740 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.421 0.226 0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.636 -0.725 1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.406 -0.762 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.365 -0.889 -1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.403 -1.940 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.271 -2.657 -2.030 1.00 0.00 H new ATOM 868 N PRO A 55 4.515 -4.362 0.191 1.00 0.00 N ATOM 869 CA PRO A 55 5.864 -4.774 0.540 1.00 0.00 C ATOM 870 C PRO A 55 6.854 -3.622 0.356 1.00 0.00 C ATOM 871 O PRO A 55 6.816 -2.923 -0.656 1.00 0.00 O ATOM 872 CB PRO A 55 6.159 -5.961 -0.364 1.00 0.00 C ATOM 873 CG PRO A 55 5.153 -5.879 -1.500 1.00 0.00 C ATOM 874 CD PRO A 55 4.072 -4.890 -1.095 1.00 0.00 C ATOM 0 HA PRO A 55 5.960 -5.055 1.589 1.00 0.00 H new ATOM 0 HB2 PRO A 55 7.180 -5.919 -0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 55 6.059 -6.900 0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.641 -5.556 -2.419 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.719 -6.859 -1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 55 3.965 -4.096 -1.834 1.00 0.00 H new ATOM 0 HD3 PRO A 55 3.101 -5.378 -1.009 1.00 0.00 H new ATOM 882 N PHE A 56 7.717 -3.460 1.349 1.00 0.00 N ATOM 883 CA PHE A 56 8.715 -2.404 1.309 1.00 0.00 C ATOM 884 C PHE A 56 9.453 -2.399 -0.032 1.00 0.00 C ATOM 885 O PHE A 56 9.753 -1.337 -0.574 1.00 0.00 O ATOM 886 CB PHE A 56 9.716 -2.693 2.428 1.00 0.00 C ATOM 887 CG PHE A 56 10.475 -1.458 2.918 1.00 0.00 C ATOM 888 CD1 PHE A 56 11.613 -1.066 2.286 1.00 0.00 C ATOM 889 CD2 PHE A 56 10.012 -0.755 3.985 1.00 0.00 C ATOM 890 CE1 PHE A 56 12.318 0.081 2.740 1.00 0.00 C ATOM 891 CE2 PHE A 56 10.717 0.392 4.439 1.00 0.00 C ATOM 892 CZ PHE A 56 11.855 0.785 3.807 1.00 0.00 C ATOM 0 H PHE A 56 7.746 -4.042 2.186 1.00 0.00 H new ATOM 0 HA PHE A 56 8.236 -1.433 1.433 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.186 -3.139 3.270 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.435 -3.433 2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 56 11.981 -1.626 1.439 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.109 -1.068 4.488 1.00 0.00 H new ATOM 0 HE1 PHE A 56 13.221 0.394 2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 56 10.349 0.952 5.286 1.00 0.00 H new ATOM 0 HZ PHE A 56 12.391 1.656 4.153 1.00 0.00 H new ATOM 902 N VAL A 57 9.725 -3.598 -0.526 1.00 0.00 N ATOM 903 CA VAL A 57 10.423 -3.745 -1.792 1.00 0.00 C ATOM 904 C VAL A 57 9.537 -3.216 -2.922 1.00 0.00 C ATOM 905 O VAL A 57 10.030 -2.885 -3.999 1.00 0.00 O ATOM 906 CB VAL A 57 10.841 -5.203 -1.993 1.00 0.00 C ATOM 907 CG1 VAL A 57 9.694 -6.155 -1.651 1.00 0.00 C ATOM 908 CG2 VAL A 57 11.343 -5.437 -3.419 1.00 0.00 C ATOM 0 H VAL A 57 9.475 -4.477 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 57 11.339 -3.155 -1.794 1.00 0.00 H new ATOM 0 HB VAL A 57 11.664 -5.413 -1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.018 -7.185 -1.803 1.00 0.00 H new ATOM 0 HG12 VAL A 57 9.404 -6.016 -0.610 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.841 -5.944 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.634 -6.481 -3.536 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.549 -5.200 -4.128 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.204 -4.797 -3.611 1.00 0.00 H new ATOM 918 N ASN A 58 8.244 -3.153 -2.638 1.00 0.00 N ATOM 919 CA ASN A 58 7.285 -2.671 -3.616 1.00 0.00 C ATOM 920 C ASN A 58 6.613 -1.404 -3.083 1.00 0.00 C ATOM 921 O ASN A 58 5.613 -0.948 -3.637 1.00 0.00 O ATOM 922 CB ASN A 58 6.195 -3.711 -3.879 1.00 0.00 C ATOM 923 CG ASN A 58 5.489 -3.442 -5.209 1.00 0.00 C ATOM 924 OD1 ASN A 58 4.658 -2.557 -5.334 1.00 0.00 O ATOM 925 ND2 ASN A 58 5.865 -4.253 -6.194 1.00 0.00 N ATOM 0 H ASN A 58 7.839 -3.428 -1.743 1.00 0.00 H new ATOM 0 HA ASN A 58 7.821 -2.470 -4.543 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.635 -4.708 -3.892 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.468 -3.694 -3.067 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.452 -4.154 -7.121 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.566 -4.973 -6.022 1.00 0.00 H new ATOM 932 N VAL A 59 7.187 -0.873 -2.014 1.00 0.00 N ATOM 933 CA VAL A 59 6.655 0.332 -1.400 1.00 0.00 C ATOM 934 C VAL A 59 7.039 1.545 -2.251 1.00 0.00 C ATOM 935 O VAL A 59 6.269 2.497 -2.362 1.00 0.00 O ATOM 936 CB VAL A 59 7.140 0.440 0.047 1.00 0.00 C ATOM 937 CG1 VAL A 59 7.292 1.902 0.467 1.00 0.00 C ATOM 938 CG2 VAL A 59 6.202 -0.309 0.996 1.00 0.00 C ATOM 0 H VAL A 59 8.015 -1.255 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 59 5.566 0.293 -1.362 1.00 0.00 H new ATOM 0 HB VAL A 59 8.122 -0.029 0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.638 1.950 1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.017 2.393 -0.182 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.330 2.407 0.383 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.569 -0.217 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.201 0.118 0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.167 -1.362 0.717 1.00 0.00 H new ATOM 948 N GLN A 60 8.228 1.470 -2.829 1.00 0.00 N ATOM 949 CA GLN A 60 8.723 2.550 -3.666 1.00 0.00 C ATOM 950 C GLN A 60 7.912 2.631 -4.961 1.00 0.00 C ATOM 951 O GLN A 60 7.211 3.614 -5.199 1.00 0.00 O ATOM 952 CB GLN A 60 10.214 2.374 -3.962 1.00 0.00 C ATOM 953 CG GLN A 60 10.862 3.714 -4.318 1.00 0.00 C ATOM 954 CD GLN A 60 11.191 4.516 -3.057 1.00 0.00 C ATOM 955 OE1 GLN A 60 10.341 4.794 -2.228 1.00 0.00 O ATOM 956 NE2 GLN A 60 12.469 4.869 -2.960 1.00 0.00 N ATOM 0 H GLN A 60 8.864 0.678 -2.735 1.00 0.00 H new ATOM 0 HA GLN A 60 8.602 3.489 -3.125 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.713 1.944 -3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.345 1.672 -4.785 1.00 0.00 H new ATOM 0 HG2 GLN A 60 11.773 3.541 -4.891 1.00 0.00 H new ATOM 0 HG3 GLN A 60 10.190 4.290 -4.954 1.00 0.00 H new ATOM 0 HE21 GLN A 60 13.129 4.603 -3.691 1.00 0.00 H new ATOM 0 HE22 GLN A 60 12.790 5.406 -2.154 1.00 0.00 H new ATOM 965 N ALA A 61 8.035 1.585 -5.765 1.00 0.00 N ATOM 966 CA ALA A 61 7.323 1.525 -7.030 1.00 0.00 C ATOM 967 C ALA A 61 5.867 1.945 -6.811 1.00 0.00 C ATOM 968 O ALA A 61 5.254 2.554 -7.687 1.00 0.00 O ATOM 969 CB ALA A 61 7.442 0.118 -7.619 1.00 0.00 C ATOM 0 H ALA A 61 8.617 0.772 -5.565 1.00 0.00 H new ATOM 0 HA ALA A 61 7.761 2.216 -7.750 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.907 0.074 -8.568 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.493 -0.120 -7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.011 -0.604 -6.926 1.00 0.00 H new ATOM 975 N VAL A 62 5.356 1.601 -5.638 1.00 0.00 N ATOM 976 CA VAL A 62 3.985 1.934 -5.293 1.00 0.00 C ATOM 977 C VAL A 62 3.898 3.420 -4.942 1.00 0.00 C ATOM 978 O VAL A 62 2.973 4.110 -5.369 1.00 0.00 O ATOM 979 CB VAL A 62 3.494 1.023 -4.166 1.00 0.00 C ATOM 980 CG1 VAL A 62 2.275 1.628 -3.465 1.00 0.00 C ATOM 981 CG2 VAL A 62 3.185 -0.380 -4.690 1.00 0.00 C ATOM 0 H VAL A 62 5.867 1.095 -4.915 1.00 0.00 H new ATOM 0 HA VAL A 62 3.324 1.763 -6.143 1.00 0.00 H new ATOM 0 HB VAL A 62 4.295 0.937 -3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.945 0.961 -2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.542 2.596 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.468 1.758 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.838 -1.007 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.410 -0.321 -5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.087 -0.814 -5.122 1.00 0.00 H new ATOM 991 N LYS A 63 4.874 3.871 -4.166 1.00 0.00 N ATOM 992 CA LYS A 63 4.919 5.263 -3.753 1.00 0.00 C ATOM 993 C LYS A 63 4.972 6.158 -4.993 1.00 0.00 C ATOM 994 O LYS A 63 4.427 7.259 -4.992 1.00 0.00 O ATOM 995 CB LYS A 63 6.075 5.495 -2.778 1.00 0.00 C ATOM 996 CG LYS A 63 5.630 5.255 -1.334 1.00 0.00 C ATOM 997 CD LYS A 63 6.031 6.426 -0.435 1.00 0.00 C ATOM 998 CE LYS A 63 5.443 6.266 0.969 1.00 0.00 C ATOM 999 NZ LYS A 63 6.400 5.563 1.853 1.00 0.00 N ATOM 0 H LYS A 63 5.639 3.296 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 63 4.013 5.527 -3.207 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.902 4.828 -3.023 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.446 6.515 -2.884 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.549 5.120 -1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.078 4.335 -0.960 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.118 6.486 -0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.684 7.361 -0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.206 7.245 1.385 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.508 5.707 0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.911 5.252 2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.787 4.735 1.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.175 6.208 2.107 1.00 0.00 H new ATOM 1013 N VAL A 64 5.634 5.648 -6.022 1.00 0.00 N ATOM 1014 CA VAL A 64 5.765 6.387 -7.267 1.00 0.00 C ATOM 1015 C VAL A 64 4.447 6.317 -8.038 1.00 0.00 C ATOM 1016 O VAL A 64 4.073 7.267 -8.725 1.00 0.00 O ATOM 1017 CB VAL A 64 6.956 5.855 -8.068 1.00 0.00 C ATOM 1018 CG1 VAL A 64 6.866 6.284 -9.534 1.00 0.00 C ATOM 1019 CG2 VAL A 64 8.280 6.305 -7.445 1.00 0.00 C ATOM 0 H VAL A 64 6.085 4.733 -6.019 1.00 0.00 H new ATOM 0 HA VAL A 64 5.968 7.439 -7.067 1.00 0.00 H new ATOM 0 HB VAL A 64 6.923 4.766 -8.035 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.724 5.893 -10.081 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.948 5.893 -9.972 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.862 7.372 -9.595 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.110 5.914 -8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.325 7.394 -7.433 1.00 0.00 H new ATOM 0 HG23 VAL A 64 8.349 5.928 -6.425 1.00 0.00 H new ATOM 1029 N PHE A 65 3.777 5.182 -7.901 1.00 0.00 N ATOM 1030 CA PHE A 65 2.507 4.976 -8.576 1.00 0.00 C ATOM 1031 C PHE A 65 1.450 5.961 -8.071 1.00 0.00 C ATOM 1032 O PHE A 65 0.868 6.706 -8.856 1.00 0.00 O ATOM 1033 CB PHE A 65 2.055 3.551 -8.252 1.00 0.00 C ATOM 1034 CG PHE A 65 0.913 3.043 -9.136 1.00 0.00 C ATOM 1035 CD1 PHE A 65 0.900 3.339 -10.464 1.00 0.00 C ATOM 1036 CD2 PHE A 65 -0.086 2.297 -8.595 1.00 0.00 C ATOM 1037 CE1 PHE A 65 -0.159 2.868 -11.284 1.00 0.00 C ATOM 1038 CE2 PHE A 65 -1.145 1.827 -9.415 1.00 0.00 C ATOM 1039 CZ PHE A 65 -1.160 2.122 -10.743 1.00 0.00 C ATOM 0 H PHE A 65 4.090 4.395 -7.332 1.00 0.00 H new ATOM 0 HA PHE A 65 2.626 5.132 -9.648 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.907 2.879 -8.355 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.740 3.509 -7.209 1.00 0.00 H new ATOM 0 HD1 PHE A 65 1.694 3.931 -10.894 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.074 2.062 -7.541 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.170 3.102 -12.338 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.939 1.235 -8.985 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.966 1.764 -11.367 1.00 0.00 H new ATOM 1049 N LEU A 66 1.236 5.930 -6.764 1.00 0.00 N ATOM 1050 CA LEU A 66 0.260 6.811 -6.145 1.00 0.00 C ATOM 1051 C LEU A 66 0.440 8.229 -6.692 1.00 0.00 C ATOM 1052 O LEU A 66 -0.505 8.823 -7.207 1.00 0.00 O ATOM 1053 CB LEU A 66 0.351 6.723 -4.621 1.00 0.00 C ATOM 1054 CG LEU A 66 -0.314 5.505 -3.977 1.00 0.00 C ATOM 1055 CD1 LEU A 66 0.664 4.765 -3.062 1.00 0.00 C ATOM 1056 CD2 LEU A 66 -1.597 5.903 -3.244 1.00 0.00 C ATOM 0 H LEU A 66 1.721 5.309 -6.117 1.00 0.00 H new ATOM 0 HA LEU A 66 -0.753 6.498 -6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.404 6.728 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.097 7.622 -4.198 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.598 4.813 -4.770 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.165 3.904 -2.617 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.522 4.427 -3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.002 5.436 -2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.049 5.018 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.361 6.625 -2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.296 6.349 -3.951 1.00 0.00 H new ATOM 1068 N GLU A 67 1.660 8.729 -6.559 1.00 0.00 N ATOM 1069 CA GLU A 67 1.975 10.065 -7.033 1.00 0.00 C ATOM 1070 C GLU A 67 1.671 10.184 -8.528 1.00 0.00 C ATOM 1071 O GLU A 67 1.066 11.161 -8.967 1.00 0.00 O ATOM 1072 CB GLU A 67 3.434 10.421 -6.742 1.00 0.00 C ATOM 1073 CG GLU A 67 3.572 11.098 -5.377 1.00 0.00 C ATOM 1074 CD GLU A 67 3.857 12.593 -5.533 1.00 0.00 C ATOM 1075 OE1 GLU A 67 2.874 13.340 -5.733 1.00 0.00 O ATOM 1076 OE2 GLU A 67 5.050 12.955 -5.448 1.00 0.00 O ATOM 0 H GLU A 67 2.441 8.233 -6.130 1.00 0.00 H new ATOM 0 HA GLU A 67 1.347 10.776 -6.496 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.044 9.518 -6.767 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.812 11.084 -7.520 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.656 10.957 -4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.378 10.627 -4.813 1.00 0.00 H new ATOM 1083 N SER A 68 2.105 9.175 -9.270 1.00 0.00 N ATOM 1084 CA SER A 68 1.887 9.154 -10.706 1.00 0.00 C ATOM 1085 C SER A 68 0.397 9.317 -11.011 1.00 0.00 C ATOM 1086 O SER A 68 0.022 10.073 -11.907 1.00 0.00 O ATOM 1087 CB SER A 68 2.417 7.859 -11.325 1.00 0.00 C ATOM 1088 OG SER A 68 1.424 6.836 -11.354 1.00 0.00 O ATOM 0 H SER A 68 2.607 8.366 -8.903 1.00 0.00 H new ATOM 0 HA SER A 68 2.435 9.986 -11.147 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.763 8.057 -12.339 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.279 7.511 -10.756 1.00 0.00 H new ATOM 0 HG SER A 68 1.265 6.509 -10.444 1.00 0.00 H new ATOM 1094 N GLN A 69 -0.413 8.597 -10.251 1.00 0.00 N ATOM 1095 CA GLN A 69 -1.854 8.652 -10.428 1.00 0.00 C ATOM 1096 C GLN A 69 -2.424 9.905 -9.759 1.00 0.00 C ATOM 1097 O GLN A 69 -3.640 10.069 -9.676 1.00 0.00 O ATOM 1098 CB GLN A 69 -2.523 7.388 -9.884 1.00 0.00 C ATOM 1099 CG GLN A 69 -2.244 7.220 -8.389 1.00 0.00 C ATOM 1100 CD GLN A 69 -3.087 6.089 -7.797 1.00 0.00 C ATOM 1101 OE1 GLN A 69 -2.583 5.150 -7.202 1.00 0.00 O ATOM 1102 NE2 GLN A 69 -4.395 6.229 -7.992 1.00 0.00 N ATOM 0 H GLN A 69 -0.099 7.971 -9.510 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.067 8.705 -11.496 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.599 7.440 -10.053 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.157 6.516 -10.426 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -1.186 7.009 -8.235 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.462 8.152 -7.868 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.751 7.039 -8.499 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.042 5.526 -7.635 1.00 0.00 H new ATOM 1111 N GLY A 70 -1.518 10.755 -9.300 1.00 0.00 N ATOM 1112 CA GLY A 70 -1.915 11.989 -8.642 1.00 0.00 C ATOM 1113 C GLY A 70 -2.922 11.713 -7.522 1.00 0.00 C ATOM 1114 O GLY A 70 -3.988 12.323 -7.479 1.00 0.00 O ATOM 0 H GLY A 70 -0.510 10.614 -9.370 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.036 12.486 -8.231 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.354 12.670 -9.371 1.00 0.00 H new ATOM 1118 N ILE A 71 -2.545 10.794 -6.645 1.00 0.00 N ATOM 1119 CA ILE A 71 -3.402 10.430 -5.529 1.00 0.00 C ATOM 1120 C ILE A 71 -2.771 10.923 -4.226 1.00 0.00 C ATOM 1121 O ILE A 71 -1.680 11.491 -4.236 1.00 0.00 O ATOM 1122 CB ILE A 71 -3.691 8.928 -5.542 1.00 0.00 C ATOM 1123 CG1 ILE A 71 -4.945 8.603 -4.728 1.00 0.00 C ATOM 1124 CG2 ILE A 71 -2.475 8.130 -5.066 1.00 0.00 C ATOM 1125 CD1 ILE A 71 -5.689 7.405 -5.322 1.00 0.00 C ATOM 0 H ILE A 71 -1.659 10.291 -6.684 1.00 0.00 H new ATOM 0 HA ILE A 71 -4.372 10.918 -5.619 1.00 0.00 H new ATOM 0 HB ILE A 71 -3.889 8.628 -6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -4.667 8.388 -3.696 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.604 9.471 -4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.708 7.065 -5.085 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.629 8.328 -5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.220 8.427 -4.049 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.576 7.195 -4.725 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.986 7.632 -6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.035 6.533 -5.319 1.00 0.00 H new ATOM 1137 N ALA A 72 -3.484 10.688 -3.134 1.00 0.00 N ATOM 1138 CA ALA A 72 -3.007 11.102 -1.826 1.00 0.00 C ATOM 1139 C ALA A 72 -3.061 9.910 -0.868 1.00 0.00 C ATOM 1140 O ALA A 72 -4.128 9.342 -0.638 1.00 0.00 O ATOM 1141 CB ALA A 72 -3.839 12.286 -1.329 1.00 0.00 C ATOM 0 H ALA A 72 -4.388 10.216 -3.129 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.970 11.434 -1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.481 12.596 -0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.745 13.116 -2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -4.886 11.990 -1.256 1.00 0.00 H new ATOM 1147 N TYR A 73 -1.898 9.565 -0.335 1.00 0.00 N ATOM 1148 CA TYR A 73 -1.800 8.451 0.591 1.00 0.00 C ATOM 1149 C TYR A 73 -1.121 8.880 1.894 1.00 0.00 C ATOM 1150 O TYR A 73 -0.913 10.069 2.127 1.00 0.00 O ATOM 1151 CB TYR A 73 -0.928 7.402 -0.101 1.00 0.00 C ATOM 1152 CG TYR A 73 0.210 7.990 -0.936 1.00 0.00 C ATOM 1153 CD1 TYR A 73 -0.071 8.678 -2.099 1.00 0.00 C ATOM 1154 CD2 TYR A 73 1.519 7.834 -0.526 1.00 0.00 C ATOM 1155 CE1 TYR A 73 1.001 9.232 -2.885 1.00 0.00 C ATOM 1156 CE2 TYR A 73 2.591 8.389 -1.312 1.00 0.00 C ATOM 1157 CZ TYR A 73 2.278 9.061 -2.453 1.00 0.00 C ATOM 1158 OH TYR A 73 3.290 9.584 -3.195 1.00 0.00 O ATOM 0 H TYR A 73 -1.015 10.038 -0.527 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.791 8.072 0.841 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.505 6.740 0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.558 6.789 -0.745 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -1.095 8.801 -2.420 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.739 7.296 0.384 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.795 9.771 -3.798 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.619 8.274 -1.003 1.00 0.00 H new ATOM 0 HH TYR A 73 3.670 8.886 -3.768 1.00 0.00 H new ATOM 1168 N SER A 74 -0.797 7.887 2.710 1.00 0.00 N ATOM 1169 CA SER A 74 -0.145 8.147 3.983 1.00 0.00 C ATOM 1170 C SER A 74 0.549 6.879 4.484 1.00 0.00 C ATOM 1171 O SER A 74 0.199 5.773 4.076 1.00 0.00 O ATOM 1172 CB SER A 74 -1.150 8.648 5.022 1.00 0.00 C ATOM 1173 OG SER A 74 -1.265 10.068 5.013 1.00 0.00 O ATOM 0 H SER A 74 -0.974 6.902 2.515 1.00 0.00 H new ATOM 0 HA SER A 74 0.602 8.927 3.833 1.00 0.00 H new ATOM 0 HB2 SER A 74 -2.126 8.204 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.842 8.316 6.013 1.00 0.00 H new ATOM 0 HG SER A 74 -1.178 10.397 4.094 1.00 0.00 H new ATOM 1179 N ILE A 75 1.523 7.083 5.359 1.00 0.00 N ATOM 1180 CA ILE A 75 2.270 5.970 5.920 1.00 0.00 C ATOM 1181 C ILE A 75 1.716 5.637 7.307 1.00 0.00 C ATOM 1182 O ILE A 75 1.811 6.448 8.227 1.00 0.00 O ATOM 1183 CB ILE A 75 3.769 6.273 5.912 1.00 0.00 C ATOM 1184 CG1 ILE A 75 4.264 6.556 4.492 1.00 0.00 C ATOM 1185 CG2 ILE A 75 4.560 5.147 6.580 1.00 0.00 C ATOM 1186 CD1 ILE A 75 3.920 7.985 4.066 1.00 0.00 C ATOM 0 H ILE A 75 1.812 8.002 5.693 1.00 0.00 H new ATOM 0 HA ILE A 75 2.146 5.079 5.305 1.00 0.00 H new ATOM 0 HB ILE A 75 3.937 7.176 6.498 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.343 6.408 4.443 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.813 5.847 3.798 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.623 5.388 6.561 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.232 5.035 7.613 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.390 4.214 6.043 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.283 8.160 3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 75 2.839 8.122 4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.393 8.692 4.748 1.00 0.00 H new ATOM 1198 N MET A 76 1.152 4.443 7.413 1.00 0.00 N ATOM 1199 CA MET A 76 0.584 3.994 8.673 1.00 0.00 C ATOM 1200 C MET A 76 1.662 3.389 9.575 1.00 0.00 C ATOM 1201 O MET A 76 1.999 3.959 10.612 1.00 0.00 O ATOM 1202 CB MET A 76 -0.500 2.948 8.400 1.00 0.00 C ATOM 1203 CG MET A 76 -1.551 2.946 9.511 1.00 0.00 C ATOM 1204 SD MET A 76 -0.791 2.526 11.071 1.00 0.00 S ATOM 1205 CE MET A 76 -1.952 3.282 12.195 1.00 0.00 C ATOM 0 H MET A 76 1.076 3.773 6.648 1.00 0.00 H new ATOM 0 HA MET A 76 0.151 4.855 9.183 1.00 0.00 H new ATOM 0 HB2 MET A 76 -0.978 3.156 7.443 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.046 1.960 8.322 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.022 3.927 9.579 1.00 0.00 H new ATOM 0 HG3 MET A 76 -2.339 2.230 9.276 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.627 3.114 13.222 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.001 4.353 12.001 1.00 0.00 H new ATOM 0 HE3 MET A 76 -2.938 2.841 12.050 1.00 0.00 H new ATOM 1215 N ILE A 77 2.172 2.244 9.149 1.00 0.00 N ATOM 1216 CA ILE A 77 3.204 1.556 9.906 1.00 0.00 C ATOM 1217 C ILE A 77 4.469 1.445 9.051 1.00 0.00 C ATOM 1218 O ILE A 77 4.406 1.554 7.828 1.00 0.00 O ATOM 1219 CB ILE A 77 2.687 0.211 10.417 1.00 0.00 C ATOM 1220 CG1 ILE A 77 3.746 -0.498 11.264 1.00 0.00 C ATOM 1221 CG2 ILE A 77 2.198 -0.664 9.260 1.00 0.00 C ATOM 1222 CD1 ILE A 77 4.072 0.310 12.521 1.00 0.00 C ATOM 0 H ILE A 77 1.890 1.774 8.289 1.00 0.00 H new ATOM 0 HA ILE A 77 3.469 2.127 10.796 1.00 0.00 H new ATOM 0 HB ILE A 77 1.830 0.398 11.064 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.388 -1.488 11.546 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.652 -0.642 10.675 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.836 -1.615 9.651 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.389 -0.155 8.736 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.021 -0.846 8.568 1.00 0.00 H new ATOM 0 HD11 ILE A 77 4.827 -0.215 13.106 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.452 1.291 12.235 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.169 0.432 13.120 1.00 0.00 H new ATOM 1234 N GLU A 78 5.585 1.229 9.730 1.00 0.00 N ATOM 1235 CA GLU A 78 6.862 1.103 9.048 1.00 0.00 C ATOM 1236 C GLU A 78 7.558 -0.198 9.460 1.00 0.00 C ATOM 1237 O GLU A 78 6.901 -1.215 9.679 1.00 0.00 O ATOM 1238 CB GLU A 78 7.756 2.313 9.326 1.00 0.00 C ATOM 1239 CG GLU A 78 8.694 2.584 8.148 1.00 0.00 C ATOM 1240 CD GLU A 78 10.112 2.887 8.636 1.00 0.00 C ATOM 1241 OE1 GLU A 78 10.245 3.829 9.446 1.00 0.00 O ATOM 1242 OE2 GLU A 78 11.031 2.168 8.187 1.00 0.00 O ATOM 0 H GLU A 78 5.632 1.138 10.745 1.00 0.00 H new ATOM 0 HA GLU A 78 6.675 1.070 7.975 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.138 3.191 9.513 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.341 2.137 10.229 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.711 1.719 7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.318 3.425 7.565 1.00 0.00 H new