USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 781 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 14 GLN : amide:sc= -0.0266 X(o=-0.82,f=-0.79) USER MOD Set 1.2: C 607 GLN : amide:sc= -0.792 X(o=-0.82,f=-0.72) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0264 USER MOD Single : A 16 TYR OH : rot -151:sc= 1.19 USER MOD Single : A 17 THR OG1 : rot 81:sc= 1.06 USER MOD Single : A 23 GLN : amide:sc=-0.00542 X(o=-0.0054,f=-0.32) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 35 TYR OH : rot 165:sc= -2.6! USER MOD Single : A 37 THR OG1 : rot -70:sc= 1.02 USER MOD Single : B 10 THR OG1 : rot 180:sc= -0.556 USER MOD Single : B 14 GLN : amide:sc= -7.77! C(o=-7.8!,f=-7.6!) USER MOD Single : B 16 TYR OH : rot 129:sc= 0.79 USER MOD Single : B 17 THR OG1 : rot 99:sc= 1.2 USER MOD Single : B 23 GLN : amide:sc= -2.11 K(o=-2.1,f=-3.1!) USER MOD Single : B 24 GLN : amide:sc= -2.79 K(o=-2.8,f=-5.2!) USER MOD Single : B 35 TYR OH : rot 69:sc= 1.13 USER MOD Single : B 37 THR OG1 : rot -98:sc= 0.262 USER MOD Single : C 595 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 596 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 602 ASN : amide:sc= 1.07 K(o=1.1,f=-0.43) USER MOD Single : C 605 LYS NZ :NH3+ 141:sc= -2.86 (180deg=-4.97!) USER MOD Single : C 609 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 610 THR OG1 : rot 180:sc= 0 USER MOD Single : C 613 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 120 N GLN A 4 -17.724 7.197 -9.440 1.00 0.00 N ATOM 121 CA GLN A 4 -17.568 8.647 -9.390 1.00 0.00 C ATOM 122 C GLN A 4 -16.367 9.066 -8.541 1.00 0.00 C ATOM 123 O GLN A 4 -16.394 8.950 -7.316 1.00 0.00 O ATOM 124 CB GLN A 4 -18.848 9.296 -8.850 1.00 0.00 C ATOM 125 CG GLN A 4 -19.071 10.712 -9.358 1.00 0.00 C ATOM 126 CD GLN A 4 -20.114 11.467 -8.556 1.00 0.00 C ATOM 127 OE1 GLN A 4 -21.297 11.467 -8.898 1.00 0.00 O ATOM 128 NE2 GLN A 4 -19.679 12.116 -7.482 1.00 0.00 N ATOM 0 HA GLN A 4 -17.386 8.993 -10.408 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -19.703 8.680 -9.128 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -18.806 9.311 -7.761 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -18.128 11.258 -9.324 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -19.380 10.674 -10.403 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -18.690 12.089 -7.236 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -20.334 12.642 -6.903 1.00 0.00 H new ATOM 137 N ILE A 5 -15.324 9.570 -9.195 1.00 0.00 N ATOM 138 CA ILE A 5 -14.131 10.021 -8.486 1.00 0.00 C ATOM 139 C ILE A 5 -14.456 11.248 -7.624 1.00 0.00 C ATOM 140 O ILE A 5 -14.812 12.299 -8.157 1.00 0.00 O ATOM 141 CB ILE A 5 -12.995 10.383 -9.468 1.00 0.00 C ATOM 142 CG1 ILE A 5 -12.687 9.203 -10.396 1.00 0.00 C ATOM 143 CG2 ILE A 5 -11.743 10.800 -8.707 1.00 0.00 C ATOM 144 CD1 ILE A 5 -12.346 7.922 -9.664 1.00 0.00 C ATOM 0 H ILE A 5 -15.281 9.676 -10.209 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.798 9.200 -7.852 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.326 11.224 -10.078 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.549 9.024 -11.039 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -11.854 9.472 -11.046 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -10.954 11.051 -9.415 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -11.966 11.669 -8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.413 9.978 -8.072 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.141 7.133 -10.388 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.466 8.082 -9.042 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.186 7.628 -9.035 1.00 0.00 H new ATOM 156 N PRO A 6 -14.347 11.145 -6.280 1.00 0.00 N ATOM 157 CA PRO A 6 -14.645 12.268 -5.385 1.00 0.00 C ATOM 158 C PRO A 6 -13.479 13.258 -5.291 1.00 0.00 C ATOM 159 O PRO A 6 -12.318 12.851 -5.334 1.00 0.00 O ATOM 160 CB PRO A 6 -14.878 11.572 -4.043 1.00 0.00 C ATOM 161 CG PRO A 6 -13.979 10.386 -4.084 1.00 0.00 C ATOM 162 CD PRO A 6 -13.936 9.940 -5.527 1.00 0.00 C ATOM 0 HA PRO A 6 -15.490 12.866 -5.727 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -14.634 12.228 -3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.921 11.277 -3.923 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.982 10.641 -3.725 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.355 9.590 -3.441 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -12.938 9.610 -5.814 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.613 9.105 -5.708 1.00 0.00 H new ATOM 170 N PRO A 7 -13.760 14.576 -5.172 1.00 0.00 N ATOM 171 CA PRO A 7 -12.712 15.596 -5.089 1.00 0.00 C ATOM 172 C PRO A 7 -12.203 15.829 -3.667 1.00 0.00 C ATOM 173 O PRO A 7 -11.856 16.950 -3.294 1.00 0.00 O ATOM 174 CB PRO A 7 -13.431 16.833 -5.619 1.00 0.00 C ATOM 175 CG PRO A 7 -14.822 16.673 -5.110 1.00 0.00 C ATOM 176 CD PRO A 7 -15.107 15.187 -5.130 1.00 0.00 C ATOM 0 HA PRO A 7 -11.815 15.316 -5.642 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.973 17.751 -5.252 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.405 16.877 -6.708 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -14.917 17.075 -4.101 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -15.531 17.214 -5.736 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -15.662 14.873 -4.246 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -15.703 14.904 -5.998 1.00 0.00 H new ATOM 184 N GLY A 8 -12.158 14.757 -2.887 1.00 0.00 N ATOM 185 CA GLY A 8 -11.686 14.844 -1.514 1.00 0.00 C ATOM 186 C GLY A 8 -10.544 13.891 -1.256 1.00 0.00 C ATOM 187 O GLY A 8 -9.586 14.233 -0.564 1.00 0.00 O ATOM 0 H GLY A 8 -12.441 13.822 -3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.364 15.864 -1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.507 14.622 -0.832 1.00 0.00 H new ATOM 191 N LEU A 9 -10.640 12.694 -1.816 1.00 0.00 N ATOM 192 CA LEU A 9 -9.596 11.694 -1.638 1.00 0.00 C ATOM 193 C LEU A 9 -8.285 12.171 -2.250 1.00 0.00 C ATOM 194 O LEU A 9 -7.204 11.762 -1.827 1.00 0.00 O ATOM 195 CB LEU A 9 -10.009 10.359 -2.254 1.00 0.00 C ATOM 196 CG LEU A 9 -8.996 9.212 -2.034 1.00 0.00 C ATOM 197 CD1 LEU A 9 -9.612 8.036 -1.275 1.00 0.00 C ATOM 198 CD2 LEU A 9 -8.411 8.753 -3.364 1.00 0.00 C ATOM 0 H LEU A 9 -11.424 12.392 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.450 11.549 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.971 10.062 -1.836 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.156 10.497 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.190 9.605 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.863 7.255 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.958 8.374 -0.298 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.455 7.639 -1.841 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.700 7.945 -3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.213 8.397 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.901 9.588 -3.845 1.00 0.00 H new ATOM 210 N THR A 10 -8.387 13.044 -3.247 1.00 0.00 N ATOM 211 CA THR A 10 -7.212 13.581 -3.918 1.00 0.00 C ATOM 212 C THR A 10 -6.329 14.346 -2.936 1.00 0.00 C ATOM 213 O THR A 10 -5.109 14.198 -2.937 1.00 0.00 O ATOM 214 CB THR A 10 -7.641 14.494 -5.071 1.00 0.00 C ATOM 215 OG1 THR A 10 -8.776 13.962 -5.731 1.00 0.00 O ATOM 216 CG2 THR A 10 -6.564 14.700 -6.112 1.00 0.00 C ATOM 0 H THR A 10 -9.274 13.394 -3.608 1.00 0.00 H new ATOM 0 HA THR A 10 -6.632 12.750 -4.319 1.00 0.00 H new ATOM 0 HB THR A 10 -7.861 15.456 -4.608 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.038 14.558 -6.463 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.938 15.357 -6.898 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.689 15.154 -5.646 1.00 0.00 H new ATOM 0 HG23 THR A 10 -6.287 13.738 -6.544 1.00 0.00 H new ATOM 224 N GLU A 11 -6.955 15.165 -2.101 1.00 0.00 N ATOM 225 CA GLU A 11 -6.223 15.953 -1.117 1.00 0.00 C ATOM 226 C GLU A 11 -5.551 15.047 -0.085 1.00 0.00 C ATOM 227 O GLU A 11 -4.516 15.399 0.480 1.00 0.00 O ATOM 228 CB GLU A 11 -7.165 16.948 -0.421 1.00 0.00 C ATOM 229 CG GLU A 11 -6.523 18.293 -0.116 1.00 0.00 C ATOM 230 CD GLU A 11 -5.309 18.171 0.784 1.00 0.00 C ATOM 231 OE1 GLU A 11 -5.483 18.178 2.021 1.00 0.00 O ATOM 232 OE2 GLU A 11 -4.184 18.069 0.252 1.00 0.00 O ATOM 0 H GLU A 11 -7.966 15.301 -2.085 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.446 16.512 -1.638 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.039 17.108 -1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.521 16.507 0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.231 18.772 -1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.258 18.943 0.359 1.00 0.00 H new ATOM 239 N LEU A 12 -6.145 13.881 0.160 1.00 0.00 N ATOM 240 CA LEU A 12 -5.600 12.932 1.128 1.00 0.00 C ATOM 241 C LEU A 12 -4.359 12.232 0.576 1.00 0.00 C ATOM 242 O LEU A 12 -3.391 11.998 1.301 1.00 0.00 O ATOM 243 CB LEU A 12 -6.662 11.896 1.523 1.00 0.00 C ATOM 244 CG LEU A 12 -7.541 12.282 2.721 1.00 0.00 C ATOM 245 CD1 LEU A 12 -6.734 12.281 4.016 1.00 0.00 C ATOM 246 CD2 LEU A 12 -8.187 13.641 2.494 1.00 0.00 C ATOM 0 H LEU A 12 -7.002 13.571 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.307 13.492 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.307 11.715 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.161 10.955 1.749 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.330 11.535 2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.381 12.558 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.326 11.285 4.189 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.918 12.999 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.806 13.898 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.411 14.396 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.807 13.604 1.598 1.00 0.00 H new ATOM 258 N LEU A 13 -4.403 11.885 -0.709 1.00 0.00 N ATOM 259 CA LEU A 13 -3.291 11.198 -1.358 1.00 0.00 C ATOM 260 C LEU A 13 -2.116 12.149 -1.600 1.00 0.00 C ATOM 261 O LEU A 13 -0.955 11.748 -1.514 1.00 0.00 O ATOM 262 CB LEU A 13 -3.756 10.578 -2.689 1.00 0.00 C ATOM 263 CG LEU A 13 -4.281 9.137 -2.609 1.00 0.00 C ATOM 264 CD1 LEU A 13 -5.262 8.980 -1.452 1.00 0.00 C ATOM 265 CD2 LEU A 13 -4.929 8.728 -3.935 1.00 0.00 C ATOM 0 H LEU A 13 -5.198 12.069 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.950 10.404 -0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.542 11.208 -3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.922 10.602 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.436 8.474 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.620 7.951 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.761 9.223 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.107 9.653 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.295 7.704 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.762 9.396 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.192 8.792 -4.735 1.00 0.00 H new ATOM 277 N GLN A 14 -2.423 13.405 -1.918 1.00 0.00 N ATOM 278 CA GLN A 14 -1.389 14.398 -2.189 1.00 0.00 C ATOM 279 C GLN A 14 -0.488 14.606 -0.981 1.00 0.00 C ATOM 280 O GLN A 14 0.733 14.672 -1.116 1.00 0.00 O ATOM 281 CB GLN A 14 -2.013 15.733 -2.609 1.00 0.00 C ATOM 282 CG GLN A 14 -1.135 16.541 -3.563 1.00 0.00 C ATOM 283 CD GLN A 14 -1.193 18.035 -3.296 1.00 0.00 C ATOM 284 OE1 GLN A 14 -0.910 18.488 -2.187 1.00 0.00 O ATOM 285 NE2 GLN A 14 -1.562 18.807 -4.309 1.00 0.00 N ATOM 0 H GLN A 14 -3.377 13.757 -1.994 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.780 14.018 -3.009 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -2.974 15.542 -3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.212 16.329 -1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.103 16.201 -3.475 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.448 16.348 -4.589 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.788 18.390 -5.212 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.620 19.818 -4.185 1.00 0.00 H new ATOM 294 N GLY A 15 -1.086 14.696 0.200 1.00 0.00 N ATOM 295 CA GLY A 15 -0.301 14.882 1.404 1.00 0.00 C ATOM 296 C GLY A 15 0.780 13.828 1.526 1.00 0.00 C ATOM 297 O GLY A 15 1.934 14.134 1.824 1.00 0.00 O ATOM 0 H GLY A 15 -2.094 14.644 0.345 1.00 0.00 H new ATOM 0 HA2 GLY A 15 0.154 15.873 1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -0.953 14.839 2.276 1.00 0.00 H new ATOM 301 N TYR A 16 0.398 12.582 1.274 1.00 0.00 N ATOM 302 CA TYR A 16 1.337 11.470 1.333 1.00 0.00 C ATOM 303 C TYR A 16 2.298 11.527 0.146 1.00 0.00 C ATOM 304 O TYR A 16 3.512 11.406 0.306 1.00 0.00 O ATOM 305 CB TYR A 16 0.578 10.138 1.342 1.00 0.00 C ATOM 306 CG TYR A 16 1.470 8.921 1.208 1.00 0.00 C ATOM 307 CD1 TYR A 16 1.795 8.412 -0.043 1.00 0.00 C ATOM 308 CD2 TYR A 16 1.987 8.283 2.330 1.00 0.00 C ATOM 309 CE1 TYR A 16 2.608 7.303 -0.173 1.00 0.00 C ATOM 310 CE2 TYR A 16 2.801 7.173 2.207 1.00 0.00 C ATOM 311 CZ TYR A 16 3.107 6.687 0.953 1.00 0.00 C ATOM 312 OH TYR A 16 3.917 5.582 0.827 1.00 0.00 O ATOM 0 H TYR A 16 -0.555 12.317 1.027 1.00 0.00 H new ATOM 0 HA TYR A 16 1.916 11.547 2.253 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.012 10.060 2.270 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.145 10.138 0.526 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.405 8.891 -0.929 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.749 8.661 3.313 1.00 0.00 H new ATOM 0 HE1 TYR A 16 2.851 6.921 -1.153 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.195 6.689 3.088 1.00 0.00 H new ATOM 0 HH TYR A 16 3.810 5.007 1.613 1.00 0.00 H new ATOM 322 N THR A 17 1.734 11.697 -1.049 1.00 0.00 N ATOM 323 CA THR A 17 2.517 11.755 -2.281 1.00 0.00 C ATOM 324 C THR A 17 3.578 12.853 -2.243 1.00 0.00 C ATOM 325 O THR A 17 4.771 12.584 -2.378 1.00 0.00 O ATOM 326 CB THR A 17 1.592 11.982 -3.481 1.00 0.00 C ATOM 327 OG1 THR A 17 0.508 11.069 -3.454 1.00 0.00 O ATOM 328 CG2 THR A 17 2.286 11.834 -4.829 1.00 0.00 C ATOM 0 H THR A 17 0.729 11.798 -1.190 1.00 0.00 H new ATOM 0 HA THR A 17 3.031 10.799 -2.379 1.00 0.00 H new ATOM 0 HB THR A 17 1.251 13.013 -3.385 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.176 11.392 -2.831 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.567 12.009 -5.629 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.096 12.560 -4.903 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.693 10.827 -4.920 1.00 0.00 H new ATOM 336 N VAL A 18 3.129 14.094 -2.073 1.00 0.00 N ATOM 337 CA VAL A 18 4.028 15.244 -2.035 1.00 0.00 C ATOM 338 C VAL A 18 5.138 15.067 -1.000 1.00 0.00 C ATOM 339 O VAL A 18 6.224 15.619 -1.153 1.00 0.00 O ATOM 340 CB VAL A 18 3.245 16.543 -1.734 1.00 0.00 C ATOM 341 CG1 VAL A 18 2.884 16.638 -0.253 1.00 0.00 C ATOM 342 CG2 VAL A 18 4.038 17.765 -2.178 1.00 0.00 C ATOM 0 H VAL A 18 2.143 14.329 -1.959 1.00 0.00 H new ATOM 0 HA VAL A 18 4.489 15.318 -3.020 1.00 0.00 H new ATOM 0 HB VAL A 18 2.315 16.514 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.334 17.561 -0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.264 15.786 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.796 16.635 0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.469 18.668 -1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.988 17.795 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.225 17.707 -3.250 1.00 0.00 H new ATOM 352 N GLU A 19 4.870 14.302 0.053 1.00 0.00 N ATOM 353 CA GLU A 19 5.871 14.080 1.095 1.00 0.00 C ATOM 354 C GLU A 19 6.898 13.038 0.657 1.00 0.00 C ATOM 355 O GLU A 19 8.094 13.194 0.902 1.00 0.00 O ATOM 356 CB GLU A 19 5.210 13.656 2.409 1.00 0.00 C ATOM 357 CG GLU A 19 6.100 13.878 3.625 1.00 0.00 C ATOM 358 CD GLU A 19 5.349 13.768 4.937 1.00 0.00 C ATOM 359 OE1 GLU A 19 4.595 14.707 5.270 1.00 0.00 O ATOM 360 OE2 GLU A 19 5.521 12.747 5.634 1.00 0.00 O ATOM 0 H GLU A 19 3.980 13.829 0.209 1.00 0.00 H new ATOM 0 HA GLU A 19 6.390 15.024 1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.282 14.214 2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.942 12.601 2.350 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.910 13.148 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.559 14.864 3.557 1.00 0.00 H new ATOM 367 N VAL A 20 6.428 11.977 0.007 1.00 0.00 N ATOM 368 CA VAL A 20 7.317 10.921 -0.463 1.00 0.00 C ATOM 369 C VAL A 20 8.340 11.477 -1.451 1.00 0.00 C ATOM 370 O VAL A 20 9.499 11.070 -1.456 1.00 0.00 O ATOM 371 CB VAL A 20 6.526 9.770 -1.128 1.00 0.00 C ATOM 372 CG1 VAL A 20 7.459 8.817 -1.881 1.00 0.00 C ATOM 373 CG2 VAL A 20 5.709 9.018 -0.084 1.00 0.00 C ATOM 0 H VAL A 20 5.442 11.827 -0.205 1.00 0.00 H new ATOM 0 HA VAL A 20 7.838 10.524 0.408 1.00 0.00 H new ATOM 0 HB VAL A 20 5.842 10.205 -1.857 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.873 8.019 -2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.991 9.367 -2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.178 8.386 -1.185 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.157 8.211 -0.566 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.377 8.601 0.670 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.007 9.703 0.392 1.00 0.00 H new ATOM 383 N LEU A 21 7.902 12.413 -2.281 1.00 0.00 N ATOM 384 CA LEU A 21 8.778 13.031 -3.267 1.00 0.00 C ATOM 385 C LEU A 21 9.752 13.991 -2.584 1.00 0.00 C ATOM 386 O LEU A 21 10.902 14.125 -3.006 1.00 0.00 O ATOM 387 CB LEU A 21 7.937 13.777 -4.314 1.00 0.00 C ATOM 388 CG LEU A 21 7.273 12.903 -5.399 1.00 0.00 C ATOM 389 CD1 LEU A 21 6.879 11.532 -4.857 1.00 0.00 C ATOM 390 CD2 LEU A 21 6.052 13.612 -5.986 1.00 0.00 C ATOM 0 H LEU A 21 6.944 12.762 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 21 9.356 12.253 -3.766 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.156 14.332 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 21 8.575 14.511 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 21 8.007 12.749 -6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.415 10.947 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.768 11.014 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.172 11.655 -4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.597 12.981 -6.749 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.327 13.804 -5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.360 14.557 -6.433 1.00 0.00 H new ATOM 402 N ARG A 22 9.286 14.663 -1.535 1.00 0.00 N ATOM 403 CA ARG A 22 10.118 15.616 -0.802 1.00 0.00 C ATOM 404 C ARG A 22 11.016 14.926 0.227 1.00 0.00 C ATOM 405 O ARG A 22 12.040 15.481 0.627 1.00 0.00 O ATOM 406 CB ARG A 22 9.235 16.651 -0.102 1.00 0.00 C ATOM 407 CG ARG A 22 8.549 17.606 -1.063 1.00 0.00 C ATOM 408 CD ARG A 22 7.658 18.593 -0.327 1.00 0.00 C ATOM 409 NE ARG A 22 6.678 17.922 0.524 1.00 0.00 N ATOM 410 CZ ARG A 22 5.981 18.534 1.481 1.00 0.00 C ATOM 411 NH1 ARG A 22 6.128 19.837 1.693 1.00 0.00 N ATOM 412 NH2 ARG A 22 5.127 17.843 2.222 1.00 0.00 N ATOM 0 H ARG A 22 8.337 14.566 -1.173 1.00 0.00 H new ATOM 0 HA ARG A 22 10.764 16.109 -1.528 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.478 16.133 0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 22 9.844 17.225 0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.300 18.150 -1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.953 17.039 -1.778 1.00 0.00 H new ATOM 0 HD2 ARG A 22 8.275 19.253 0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.139 19.221 -1.051 1.00 0.00 H new ATOM 0 HE ARG A 22 6.518 16.925 0.377 1.00 0.00 H new ATOM 0 HH11 ARG A 22 6.778 20.377 1.121 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.591 20.298 2.427 1.00 0.00 H new ATOM 0 HH21 ARG A 22 5.004 16.844 2.060 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.593 18.311 2.955 1.00 0.00 H new ATOM 426 N GLN A 23 10.625 13.728 0.671 1.00 0.00 N ATOM 427 CA GLN A 23 11.401 12.988 1.673 1.00 0.00 C ATOM 428 C GLN A 23 11.977 11.690 1.110 1.00 0.00 C ATOM 429 O GLN A 23 13.164 11.410 1.274 1.00 0.00 O ATOM 430 CB GLN A 23 10.528 12.680 2.893 1.00 0.00 C ATOM 431 CG GLN A 23 11.327 12.296 4.127 1.00 0.00 C ATOM 432 CD GLN A 23 10.447 11.973 5.318 1.00 0.00 C ATOM 433 OE1 GLN A 23 10.506 10.873 5.867 1.00 0.00 O ATOM 434 NE2 GLN A 23 9.624 12.932 5.726 1.00 0.00 N ATOM 0 H GLN A 23 9.781 13.251 0.355 1.00 0.00 H new ATOM 0 HA GLN A 23 12.237 13.621 1.968 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.917 13.553 3.122 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.844 11.868 2.645 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.950 11.432 3.897 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.999 13.113 4.388 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.607 13.830 5.242 1.00 0.00 H new ATOM 0 HE22 GLN A 23 9.009 12.771 6.523 1.00 0.00 H new ATOM 443 N GLN A 24 11.130 10.897 0.460 1.00 0.00 N ATOM 444 CA GLN A 24 11.555 9.623 -0.116 1.00 0.00 C ATOM 445 C GLN A 24 11.956 8.638 0.987 1.00 0.00 C ATOM 446 O GLN A 24 13.104 8.631 1.430 1.00 0.00 O ATOM 447 CB GLN A 24 12.722 9.828 -1.089 1.00 0.00 C ATOM 448 CG GLN A 24 12.514 10.983 -2.055 1.00 0.00 C ATOM 449 CD GLN A 24 13.663 11.136 -3.033 1.00 0.00 C ATOM 450 OE1 GLN A 24 14.319 10.160 -3.395 1.00 0.00 O ATOM 451 NE2 GLN A 24 13.913 12.367 -3.465 1.00 0.00 N ATOM 0 H GLN A 24 10.143 11.114 0.318 1.00 0.00 H new ATOM 0 HA GLN A 24 10.713 9.206 -0.668 1.00 0.00 H new ATOM 0 HB2 GLN A 24 13.634 10.003 -0.518 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.874 8.911 -1.659 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.588 10.827 -2.609 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.396 11.908 -1.490 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.343 13.148 -3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.675 12.532 -4.123 1.00 0.00 H new ATOM 460 N PRO A 25 11.012 7.794 1.454 1.00 0.00 N ATOM 461 CA PRO A 25 11.271 6.819 2.511 1.00 0.00 C ATOM 462 C PRO A 25 11.765 5.480 1.965 1.00 0.00 C ATOM 463 O PRO A 25 11.721 5.244 0.758 1.00 0.00 O ATOM 464 CB PRO A 25 9.889 6.665 3.139 1.00 0.00 C ATOM 465 CG PRO A 25 8.957 6.776 1.980 1.00 0.00 C ATOM 466 CD PRO A 25 9.608 7.728 1.001 1.00 0.00 C ATOM 0 HA PRO A 25 12.053 7.138 3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.785 5.706 3.646 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.698 7.440 3.881 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.789 5.802 1.521 1.00 0.00 H new ATOM 0 HG3 PRO A 25 7.984 7.151 2.298 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.535 7.361 -0.023 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.134 8.709 1.022 1.00 0.00 H new ATOM 474 N PRO A 26 12.235 4.576 2.847 1.00 0.00 N ATOM 475 CA PRO A 26 12.721 3.259 2.432 1.00 0.00 C ATOM 476 C PRO A 26 11.586 2.368 1.936 1.00 0.00 C ATOM 477 O PRO A 26 11.762 1.585 1.003 1.00 0.00 O ATOM 478 CB PRO A 26 13.354 2.672 3.712 1.00 0.00 C ATOM 479 CG PRO A 26 13.438 3.811 4.674 1.00 0.00 C ATOM 480 CD PRO A 26 12.324 4.747 4.306 1.00 0.00 C ATOM 0 HA PRO A 26 13.423 3.327 1.601 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.746 1.862 4.115 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.341 2.258 3.507 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.331 3.463 5.701 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.405 4.309 4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.391 4.483 4.803 1.00 0.00 H new ATOM 0 HD3 PRO A 26 12.551 5.777 4.581 1.00 0.00 H new ATOM 488 N ASP A 27 10.420 2.496 2.572 1.00 0.00 N ATOM 489 CA ASP A 27 9.247 1.706 2.206 1.00 0.00 C ATOM 490 C ASP A 27 8.014 2.592 2.089 1.00 0.00 C ATOM 491 O ASP A 27 7.755 3.430 2.952 1.00 0.00 O ATOM 492 CB ASP A 27 9.008 0.600 3.238 1.00 0.00 C ATOM 493 CG ASP A 27 9.092 1.110 4.664 1.00 0.00 C ATOM 494 OD1 ASP A 27 9.101 2.345 4.854 1.00 0.00 O ATOM 495 OD2 ASP A 27 9.149 0.275 5.590 1.00 0.00 O ATOM 0 H ASP A 27 10.265 3.142 3.346 1.00 0.00 H new ATOM 0 HA ASP A 27 9.433 1.247 1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.026 0.157 3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.743 -0.192 3.095 1.00 0.00 H new ATOM 500 N LEU A 28 7.259 2.401 1.013 1.00 0.00 N ATOM 501 CA LEU A 28 6.053 3.182 0.778 1.00 0.00 C ATOM 502 C LEU A 28 4.877 2.625 1.579 1.00 0.00 C ATOM 503 O LEU A 28 3.921 3.342 1.876 1.00 0.00 O ATOM 504 CB LEU A 28 5.713 3.197 -0.715 1.00 0.00 C ATOM 505 CG LEU A 28 6.690 3.983 -1.598 1.00 0.00 C ATOM 506 CD1 LEU A 28 8.054 3.301 -1.640 1.00 0.00 C ATOM 507 CD2 LEU A 28 6.124 4.142 -3.003 1.00 0.00 C ATOM 0 H LEU A 28 7.462 1.711 0.290 1.00 0.00 H new ATOM 0 HA LEU A 28 6.240 4.203 1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.672 2.168 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.715 3.618 -0.840 1.00 0.00 H new ATOM 0 HG LEU A 28 6.823 4.974 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 28 8.730 3.877 -2.272 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.463 3.242 -0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.946 2.295 -2.046 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.829 4.702 -3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.960 3.158 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.177 4.680 -2.955 1.00 0.00 H new ATOM 519 N VAL A 29 4.951 1.342 1.926 1.00 0.00 N ATOM 520 CA VAL A 29 3.892 0.693 2.692 1.00 0.00 C ATOM 521 C VAL A 29 3.862 1.206 4.128 1.00 0.00 C ATOM 522 O VAL A 29 2.812 1.597 4.639 1.00 0.00 O ATOM 523 CB VAL A 29 4.058 -0.846 2.717 1.00 0.00 C ATOM 524 CG1 VAL A 29 2.790 -1.525 3.243 1.00 0.00 C ATOM 525 CG2 VAL A 29 4.430 -1.372 1.331 1.00 0.00 C ATOM 0 H VAL A 29 5.733 0.732 1.689 1.00 0.00 H new ATOM 0 HA VAL A 29 2.954 0.939 2.193 1.00 0.00 H new ATOM 0 HB VAL A 29 4.872 -1.089 3.399 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.932 -2.606 3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.585 -1.179 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.948 -1.274 2.597 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.542 -2.456 1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.644 -1.114 0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.370 -0.922 1.011 1.00 0.00 H new ATOM 535 N GLU A 30 5.021 1.189 4.779 1.00 0.00 N ATOM 536 CA GLU A 30 5.134 1.640 6.162 1.00 0.00 C ATOM 537 C GLU A 30 4.930 3.145 6.271 1.00 0.00 C ATOM 538 O GLU A 30 4.159 3.618 7.105 1.00 0.00 O ATOM 539 CB GLU A 30 6.499 1.253 6.736 1.00 0.00 C ATOM 540 CG GLU A 30 6.551 1.286 8.255 1.00 0.00 C ATOM 541 CD GLU A 30 7.962 1.140 8.793 1.00 0.00 C ATOM 542 OE1 GLU A 30 8.692 2.153 8.826 1.00 0.00 O ATOM 543 OE2 GLU A 30 8.335 0.013 9.182 1.00 0.00 O ATOM 0 H GLU A 30 5.898 0.867 4.369 1.00 0.00 H new ATOM 0 HA GLU A 30 4.351 1.149 6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.757 0.251 6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.256 1.930 6.340 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.126 2.225 8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.929 0.485 8.654 1.00 0.00 H new ATOM 550 N PHE A 31 5.634 3.898 5.430 1.00 0.00 N ATOM 551 CA PHE A 31 5.535 5.354 5.445 1.00 0.00 C ATOM 552 C PHE A 31 4.084 5.828 5.443 1.00 0.00 C ATOM 553 O PHE A 31 3.785 6.928 5.905 1.00 0.00 O ATOM 554 CB PHE A 31 6.280 5.952 4.255 1.00 0.00 C ATOM 555 CG PHE A 31 6.534 7.425 4.408 1.00 0.00 C ATOM 556 CD1 PHE A 31 7.508 7.882 5.280 1.00 0.00 C ATOM 557 CD2 PHE A 31 5.798 8.351 3.687 1.00 0.00 C ATOM 558 CE1 PHE A 31 7.746 9.234 5.430 1.00 0.00 C ATOM 559 CE2 PHE A 31 6.029 9.706 3.833 1.00 0.00 C ATOM 560 CZ PHE A 31 7.005 10.148 4.706 1.00 0.00 C ATOM 0 H PHE A 31 6.277 3.525 4.732 1.00 0.00 H new ATOM 0 HA PHE A 31 5.996 5.699 6.370 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.231 5.435 4.131 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.702 5.780 3.347 1.00 0.00 H new ATOM 0 HD1 PHE A 31 8.089 7.172 5.850 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.035 8.010 3.003 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.510 9.576 6.112 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.448 10.418 3.266 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.188 11.206 4.822 1.00 0.00 H new ATOM 570 N ALA A 32 3.188 5.002 4.917 1.00 0.00 N ATOM 571 CA ALA A 32 1.773 5.352 4.853 1.00 0.00 C ATOM 572 C ALA A 32 1.101 5.233 6.217 1.00 0.00 C ATOM 573 O ALA A 32 0.289 6.077 6.584 1.00 0.00 O ATOM 574 CB ALA A 32 1.075 4.488 3.822 1.00 0.00 C ATOM 0 H ALA A 32 3.415 4.086 4.529 1.00 0.00 H new ATOM 0 HA ALA A 32 1.692 6.396 4.550 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.019 4.754 3.779 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.530 4.649 2.845 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.174 3.439 4.100 1.00 0.00 H new ATOM 580 N VAL A 33 1.464 4.212 6.982 1.00 0.00 N ATOM 581 CA VAL A 33 0.904 4.035 8.317 1.00 0.00 C ATOM 582 C VAL A 33 1.398 5.162 9.217 1.00 0.00 C ATOM 583 O VAL A 33 0.594 5.919 9.760 1.00 0.00 O ATOM 584 CB VAL A 33 1.308 2.669 8.915 1.00 0.00 C ATOM 585 CG1 VAL A 33 0.809 2.525 10.346 1.00 0.00 C ATOM 586 CG2 VAL A 33 0.784 1.534 8.047 1.00 0.00 C ATOM 0 H VAL A 33 2.138 3.498 6.705 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.183 4.061 8.247 1.00 0.00 H new ATOM 0 HB VAL A 33 2.397 2.618 8.935 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.109 1.554 10.740 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.239 3.315 10.962 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.278 2.603 10.362 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.077 0.578 8.482 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.303 1.590 7.992 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.202 1.620 7.044 1.00 0.00 H new ATOM 596 N GLU A 34 2.707 5.283 9.380 1.00 0.00 N ATOM 597 CA GLU A 34 3.256 6.338 10.227 1.00 0.00 C ATOM 598 C GLU A 34 2.734 7.713 9.797 1.00 0.00 C ATOM 599 O GLU A 34 2.582 8.610 10.624 1.00 0.00 O ATOM 600 CB GLU A 34 4.788 6.318 10.197 1.00 0.00 C ATOM 601 CG GLU A 34 5.374 6.155 8.804 1.00 0.00 C ATOM 602 CD GLU A 34 6.810 6.638 8.711 1.00 0.00 C ATOM 603 OE1 GLU A 34 7.018 7.867 8.635 1.00 0.00 O ATOM 604 OE2 GLU A 34 7.724 5.788 8.715 1.00 0.00 O ATOM 0 H GLU A 34 3.402 4.675 8.946 1.00 0.00 H new ATOM 0 HA GLU A 34 2.927 6.150 11.249 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.162 7.245 10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.144 5.503 10.828 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.329 5.105 8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.763 6.707 8.090 1.00 0.00 H new ATOM 611 N TYR A 35 2.456 7.867 8.502 1.00 0.00 N ATOM 612 CA TYR A 35 1.947 9.133 7.968 1.00 0.00 C ATOM 613 C TYR A 35 0.453 9.304 8.249 1.00 0.00 C ATOM 614 O TYR A 35 0.012 10.383 8.642 1.00 0.00 O ATOM 615 CB TYR A 35 2.200 9.222 6.457 1.00 0.00 C ATOM 616 CG TYR A 35 1.649 10.486 5.821 1.00 0.00 C ATOM 617 CD1 TYR A 35 0.285 10.638 5.596 1.00 0.00 C ATOM 618 CD2 TYR A 35 2.492 11.530 5.454 1.00 0.00 C ATOM 619 CE1 TYR A 35 -0.221 11.791 5.027 1.00 0.00 C ATOM 620 CE2 TYR A 35 1.991 12.689 4.887 1.00 0.00 C ATOM 621 CZ TYR A 35 0.635 12.811 4.677 1.00 0.00 C ATOM 622 OH TYR A 35 0.133 13.962 4.122 1.00 0.00 O ATOM 0 H TYR A 35 2.574 7.133 7.804 1.00 0.00 H new ATOM 0 HA TYR A 35 2.484 9.936 8.473 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.273 9.171 6.273 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.752 8.356 5.971 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -0.390 9.841 5.871 1.00 0.00 H new ATOM 0 HD2 TYR A 35 3.556 11.435 5.614 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.283 11.892 4.858 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.658 13.492 4.611 1.00 0.00 H new ATOM 0 HH TYR A 35 0.815 14.665 4.154 1.00 0.00 H new ATOM 632 N PHE A 36 -0.329 8.251 8.029 1.00 0.00 N ATOM 633 CA PHE A 36 -1.775 8.325 8.254 1.00 0.00 C ATOM 634 C PHE A 36 -2.110 8.261 9.745 1.00 0.00 C ATOM 635 O PHE A 36 -2.980 8.987 10.224 1.00 0.00 O ATOM 636 CB PHE A 36 -2.504 7.202 7.495 1.00 0.00 C ATOM 637 CG PHE A 36 -3.004 7.620 6.135 1.00 0.00 C ATOM 638 CD1 PHE A 36 -4.194 8.321 6.011 1.00 0.00 C ATOM 639 CD2 PHE A 36 -2.289 7.315 4.987 1.00 0.00 C ATOM 640 CE1 PHE A 36 -4.659 8.709 4.769 1.00 0.00 C ATOM 641 CE2 PHE A 36 -2.750 7.700 3.742 1.00 0.00 C ATOM 642 CZ PHE A 36 -3.936 8.399 3.633 1.00 0.00 C ATOM 0 H PHE A 36 0.006 7.346 7.699 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.119 9.286 7.871 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.828 6.354 7.380 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.348 6.858 8.093 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.764 8.566 6.895 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.360 6.770 5.066 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.587 9.254 4.686 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.184 7.455 2.856 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.298 8.703 2.662 1.00 0.00 H new ATOM 652 N THR A 37 -1.424 7.386 10.474 1.00 0.00 N ATOM 653 CA THR A 37 -1.668 7.233 11.906 1.00 0.00 C ATOM 654 C THR A 37 -1.452 8.546 12.654 1.00 0.00 C ATOM 655 O THR A 37 -2.344 9.018 13.358 1.00 0.00 O ATOM 656 CB THR A 37 -0.773 6.140 12.495 1.00 0.00 C ATOM 657 OG1 THR A 37 0.591 6.391 12.210 1.00 0.00 O ATOM 658 CG2 THR A 37 -1.107 4.758 11.981 1.00 0.00 C ATOM 0 H THR A 37 -0.698 6.775 10.100 1.00 0.00 H new ATOM 0 HA THR A 37 -2.711 6.940 12.029 1.00 0.00 H new ATOM 0 HB THR A 37 -0.956 6.166 13.569 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.755 6.259 11.253 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.437 4.029 12.436 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.138 4.514 12.238 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.987 4.734 10.898 1.00 0.00 H new ATOM 666 N ARG A 38 -0.266 9.138 12.505 1.00 0.00 N ATOM 667 CA ARG A 38 0.039 10.399 13.179 1.00 0.00 C ATOM 668 C ARG A 38 -1.028 11.443 12.866 1.00 0.00 C ATOM 669 O ARG A 38 -1.398 12.246 13.722 1.00 0.00 O ATOM 670 CB ARG A 38 1.430 10.911 12.776 1.00 0.00 C ATOM 671 CG ARG A 38 1.584 11.217 11.287 1.00 0.00 C ATOM 672 CD ARG A 38 1.354 12.691 10.973 1.00 0.00 C ATOM 673 NE ARG A 38 1.247 12.935 9.536 1.00 0.00 N ATOM 674 CZ ARG A 38 0.955 14.119 9.005 1.00 0.00 C ATOM 675 NH1 ARG A 38 0.740 15.170 9.787 1.00 0.00 N ATOM 676 NH2 ARG A 38 0.877 14.255 7.688 1.00 0.00 N ATOM 0 H ARG A 38 0.491 8.769 11.930 1.00 0.00 H new ATOM 0 HA ARG A 38 0.042 10.219 14.254 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.650 11.815 13.345 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.174 10.167 13.060 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.584 10.930 10.961 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.877 10.612 10.719 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.443 13.029 11.467 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.175 13.281 11.381 1.00 0.00 H new ATOM 0 HE ARG A 38 1.406 12.151 8.903 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.798 15.072 10.801 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.516 16.076 9.374 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.041 13.451 7.082 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.653 15.163 7.281 1.00 0.00 H new ATOM 690 N LEU A 39 -1.530 11.411 11.636 1.00 0.00 N ATOM 691 CA LEU A 39 -2.570 12.340 11.213 1.00 0.00 C ATOM 692 C LEU A 39 -3.873 12.028 11.945 1.00 0.00 C ATOM 693 O LEU A 39 -4.481 12.904 12.561 1.00 0.00 O ATOM 694 CB LEU A 39 -2.774 12.258 9.694 1.00 0.00 C ATOM 695 CG LEU A 39 -3.333 13.525 9.040 1.00 0.00 C ATOM 696 CD1 LEU A 39 -3.259 13.420 7.524 1.00 0.00 C ATOM 697 CD2 LEU A 39 -4.766 13.775 9.491 1.00 0.00 C ATOM 0 H LEU A 39 -1.234 10.752 10.916 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.261 13.355 11.462 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.818 12.020 9.228 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.449 11.430 9.479 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.723 14.372 9.356 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.661 14.329 7.076 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.220 13.293 7.218 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.843 12.562 7.190 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.145 14.680 9.015 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.390 12.927 9.207 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.791 13.897 10.574 1.00 0.00 H new ATOM 709 N ARG A 40 -4.286 10.766 11.879 1.00 0.00 N ATOM 710 CA ARG A 40 -5.504 10.313 12.534 1.00 0.00 C ATOM 711 C ARG A 40 -5.483 10.660 14.023 1.00 0.00 C ATOM 712 O ARG A 40 -6.435 11.236 14.551 1.00 0.00 O ATOM 713 CB ARG A 40 -5.667 8.791 12.345 1.00 0.00 C ATOM 714 CG ARG A 40 -7.024 8.378 11.801 1.00 0.00 C ATOM 715 CD ARG A 40 -8.143 8.746 12.759 1.00 0.00 C ATOM 716 NE ARG A 40 -8.204 7.830 13.891 1.00 0.00 N ATOM 717 CZ ARG A 40 -9.119 7.898 14.855 1.00 0.00 C ATOM 718 NH1 ARG A 40 -10.057 8.836 14.824 1.00 0.00 N ATOM 719 NH2 ARG A 40 -9.097 7.026 15.852 1.00 0.00 N ATOM 0 H ARG A 40 -3.788 10.034 11.373 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.352 10.824 12.077 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.891 8.434 11.667 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.505 8.297 13.303 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.194 8.861 10.839 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.034 7.303 11.624 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -7.993 9.763 13.121 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.095 8.734 12.229 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.503 7.092 13.948 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.079 9.510 14.059 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.756 8.883 15.566 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.379 6.302 15.881 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.798 7.078 16.591 1.00 0.00 H new ATOM 963 N PRO B 7 9.053 3.899 -8.197 1.00 0.00 N ATOM 964 CA PRO B 7 8.391 2.717 -8.755 1.00 0.00 C ATOM 965 C PRO B 7 7.576 1.942 -7.716 1.00 0.00 C ATOM 966 O PRO B 7 8.140 1.316 -6.817 1.00 0.00 O ATOM 967 CB PRO B 7 9.579 1.885 -9.233 1.00 0.00 C ATOM 968 CG PRO B 7 10.640 2.162 -8.222 1.00 0.00 C ATOM 969 CD PRO B 7 10.444 3.599 -7.791 1.00 0.00 C ATOM 0 HA PRO B 7 7.667 2.970 -9.530 1.00 0.00 H new ATOM 0 HB2 PRO B 7 9.333 0.824 -9.274 1.00 0.00 H new ATOM 0 HB3 PRO B 7 9.895 2.178 -10.234 1.00 0.00 H new ATOM 0 HG2 PRO B 7 10.555 1.485 -7.372 1.00 0.00 H new ATOM 0 HG3 PRO B 7 11.632 2.015 -8.648 1.00 0.00 H new ATOM 0 HD2 PRO B 7 10.582 3.717 -6.716 1.00 0.00 H new ATOM 0 HD3 PRO B 7 11.156 4.264 -8.279 1.00 0.00 H new ATOM 977 N GLY B 8 6.248 1.974 -7.860 1.00 0.00 N ATOM 978 CA GLY B 8 5.371 1.252 -6.943 1.00 0.00 C ATOM 979 C GLY B 8 4.334 2.139 -6.278 1.00 0.00 C ATOM 980 O GLY B 8 3.240 1.682 -5.949 1.00 0.00 O ATOM 0 H GLY B 8 5.763 2.488 -8.596 1.00 0.00 H new ATOM 0 HA2 GLY B 8 4.863 0.457 -7.488 1.00 0.00 H new ATOM 0 HA3 GLY B 8 5.977 0.774 -6.173 1.00 0.00 H new ATOM 984 N LEU B 9 4.676 3.405 -6.075 1.00 0.00 N ATOM 985 CA LEU B 9 3.763 4.353 -5.439 1.00 0.00 C ATOM 986 C LEU B 9 2.413 4.382 -6.153 1.00 0.00 C ATOM 987 O LEU B 9 1.365 4.409 -5.509 1.00 0.00 O ATOM 988 CB LEU B 9 4.386 5.754 -5.429 1.00 0.00 C ATOM 989 CG LEU B 9 3.791 6.730 -4.400 1.00 0.00 C ATOM 990 CD1 LEU B 9 4.837 7.735 -3.939 1.00 0.00 C ATOM 991 CD2 LEU B 9 2.584 7.455 -4.976 1.00 0.00 C ATOM 0 H LEU B 9 5.578 3.801 -6.340 1.00 0.00 H new ATOM 0 HA LEU B 9 3.595 4.027 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU B 9 5.455 5.657 -5.238 1.00 0.00 H new ATOM 0 HB3 LEU B 9 4.278 6.189 -6.423 1.00 0.00 H new ATOM 0 HG LEU B 9 3.466 6.148 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU B 9 4.393 8.415 -3.212 1.00 0.00 H new ATOM 0 HD12 LEU B 9 5.672 7.206 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU B 9 5.196 8.305 -4.796 1.00 0.00 H new ATOM 0 HD21 LEU B 9 2.181 8.140 -4.230 1.00 0.00 H new ATOM 0 HD22 LEU B 9 2.885 8.018 -5.860 1.00 0.00 H new ATOM 0 HD23 LEU B 9 1.820 6.728 -5.252 1.00 0.00 H new ATOM 1003 N THR B 10 2.439 4.378 -7.480 1.00 0.00 N ATOM 1004 CA THR B 10 1.205 4.407 -8.260 1.00 0.00 C ATOM 1005 C THR B 10 0.238 3.311 -7.814 1.00 0.00 C ATOM 1006 O THR B 10 -0.968 3.530 -7.739 1.00 0.00 O ATOM 1007 CB THR B 10 1.498 4.253 -9.756 1.00 0.00 C ATOM 1008 OG1 THR B 10 2.593 5.067 -10.139 1.00 0.00 O ATOM 1009 CG2 THR B 10 0.313 4.611 -10.646 1.00 0.00 C ATOM 0 H THR B 10 3.293 4.355 -8.037 1.00 0.00 H new ATOM 0 HA THR B 10 0.738 5.376 -8.086 1.00 0.00 H new ATOM 0 HB THR B 10 1.725 3.196 -9.898 1.00 0.00 H new ATOM 0 HG1 THR B 10 2.766 4.954 -11.097 1.00 0.00 H new ATOM 0 HG21 THR B 10 0.591 4.479 -11.692 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.529 3.961 -10.409 1.00 0.00 H new ATOM 0 HG23 THR B 10 0.029 5.649 -10.474 1.00 0.00 H new ATOM 1017 N GLU B 11 0.776 2.127 -7.541 1.00 0.00 N ATOM 1018 CA GLU B 11 -0.040 0.988 -7.125 1.00 0.00 C ATOM 1019 C GLU B 11 -0.532 1.122 -5.683 1.00 0.00 C ATOM 1020 O GLU B 11 -1.687 0.813 -5.387 1.00 0.00 O ATOM 1021 CB GLU B 11 0.754 -0.310 -7.278 1.00 0.00 C ATOM 1022 CG GLU B 11 -0.094 -1.561 -7.132 1.00 0.00 C ATOM 1023 CD GLU B 11 0.728 -2.833 -7.170 1.00 0.00 C ATOM 1024 OE1 GLU B 11 1.827 -2.813 -7.762 1.00 0.00 O ATOM 1025 OE2 GLU B 11 0.273 -3.852 -6.607 1.00 0.00 O ATOM 0 H GLU B 11 1.775 1.929 -7.600 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.917 0.967 -7.772 1.00 0.00 H new ATOM 0 HB2 GLU B 11 1.235 -0.319 -8.256 1.00 0.00 H new ATOM 0 HB3 GLU B 11 1.549 -0.330 -6.532 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -0.642 -1.516 -6.191 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -0.835 -1.588 -7.931 1.00 0.00 H new ATOM 1032 N LEU B 12 0.346 1.560 -4.786 1.00 0.00 N ATOM 1033 CA LEU B 12 -0.006 1.706 -3.373 1.00 0.00 C ATOM 1034 C LEU B 12 -1.274 2.539 -3.184 1.00 0.00 C ATOM 1035 O LEU B 12 -2.247 2.070 -2.593 1.00 0.00 O ATOM 1036 CB LEU B 12 1.161 2.337 -2.594 1.00 0.00 C ATOM 1037 CG LEU B 12 2.087 1.344 -1.880 1.00 0.00 C ATOM 1038 CD1 LEU B 12 1.308 0.492 -0.879 1.00 0.00 C ATOM 1039 CD2 LEU B 12 2.806 0.467 -2.897 1.00 0.00 C ATOM 0 H LEU B 12 1.306 1.821 -5.010 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.204 0.708 -2.982 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.758 2.932 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.752 3.024 -1.853 1.00 0.00 H new ATOM 0 HG LEU B 12 2.834 1.910 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU B 12 1.988 -0.203 -0.387 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.847 1.138 -0.132 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.533 -0.068 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU B 12 3.460 -0.233 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU B 12 2.073 -0.088 -3.482 1.00 0.00 H new ATOM 0 HD23 LEU B 12 3.401 1.093 -3.562 1.00 0.00 H new ATOM 1051 N LEU B 13 -1.264 3.766 -3.687 1.00 0.00 N ATOM 1052 CA LEU B 13 -2.425 4.642 -3.562 1.00 0.00 C ATOM 1053 C LEU B 13 -3.627 4.030 -4.271 1.00 0.00 C ATOM 1054 O LEU B 13 -4.763 4.165 -3.817 1.00 0.00 O ATOM 1055 CB LEU B 13 -2.118 6.026 -4.141 1.00 0.00 C ATOM 1056 CG LEU B 13 -0.861 6.704 -3.583 1.00 0.00 C ATOM 1057 CD1 LEU B 13 -0.750 8.135 -4.096 1.00 0.00 C ATOM 1058 CD2 LEU B 13 -0.868 6.672 -2.059 1.00 0.00 C ATOM 0 H LEU B 13 -0.472 4.177 -4.182 1.00 0.00 H new ATOM 0 HA LEU B 13 -2.661 4.754 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -2.012 5.934 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -2.973 6.676 -3.958 1.00 0.00 H new ATOM 0 HG LEU B 13 0.012 6.152 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU B 13 0.148 8.599 -3.689 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -0.693 8.128 -5.184 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -1.626 8.703 -3.782 1.00 0.00 H new ATOM 0 HD21 LEU B 13 0.032 7.158 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -1.748 7.198 -1.688 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -0.893 5.637 -1.717 1.00 0.00 H new ATOM 1070 N GLN B 14 -3.369 3.355 -5.383 1.00 0.00 N ATOM 1071 CA GLN B 14 -4.436 2.721 -6.146 1.00 0.00 C ATOM 1072 C GLN B 14 -5.110 1.624 -5.329 1.00 0.00 C ATOM 1073 O GLN B 14 -6.335 1.520 -5.308 1.00 0.00 O ATOM 1074 CB GLN B 14 -3.899 2.137 -7.455 1.00 0.00 C ATOM 1075 CG GLN B 14 -4.977 1.931 -8.512 1.00 0.00 C ATOM 1076 CD GLN B 14 -4.652 0.813 -9.485 1.00 0.00 C ATOM 1077 OE1 GLN B 14 -5.543 0.099 -9.941 1.00 0.00 O ATOM 1078 NE2 GLN B 14 -3.373 0.656 -9.804 1.00 0.00 N ATOM 0 H GLN B 14 -2.435 3.233 -5.775 1.00 0.00 H new ATOM 0 HA GLN B 14 -5.174 3.488 -6.381 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -3.132 2.801 -7.853 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -3.417 1.182 -7.247 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -5.924 1.711 -8.019 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -5.115 2.859 -9.067 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -2.667 1.272 -9.401 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -3.096 -0.081 -10.452 1.00 0.00 H new ATOM 1087 N GLY B 15 -4.301 0.808 -4.661 1.00 0.00 N ATOM 1088 CA GLY B 15 -4.833 -0.275 -3.852 1.00 0.00 C ATOM 1089 C GLY B 15 -5.863 0.196 -2.844 1.00 0.00 C ATOM 1090 O GLY B 15 -6.849 -0.491 -2.580 1.00 0.00 O ATOM 0 H GLY B 15 -3.283 0.877 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -5.285 -1.022 -4.505 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -4.014 -0.765 -3.326 1.00 0.00 H new ATOM 1094 N TYR B 16 -5.623 1.372 -2.274 1.00 0.00 N ATOM 1095 CA TYR B 16 -6.525 1.948 -1.282 1.00 0.00 C ATOM 1096 C TYR B 16 -7.730 2.610 -1.946 1.00 0.00 C ATOM 1097 O TYR B 16 -8.868 2.415 -1.524 1.00 0.00 O ATOM 1098 CB TYR B 16 -5.776 2.974 -0.430 1.00 0.00 C ATOM 1099 CG TYR B 16 -6.662 3.702 0.557 1.00 0.00 C ATOM 1100 CD1 TYR B 16 -7.206 3.035 1.645 1.00 0.00 C ATOM 1101 CD2 TYR B 16 -6.958 5.053 0.400 1.00 0.00 C ATOM 1102 CE1 TYR B 16 -8.017 3.690 2.550 1.00 0.00 C ATOM 1103 CE2 TYR B 16 -7.770 5.714 1.300 1.00 0.00 C ATOM 1104 CZ TYR B 16 -8.297 5.028 2.373 1.00 0.00 C ATOM 1105 OH TYR B 16 -9.106 5.682 3.273 1.00 0.00 O ATOM 0 H TYR B 16 -4.807 1.948 -2.483 1.00 0.00 H new ATOM 0 HA TYR B 16 -6.888 1.140 -0.647 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -4.978 2.469 0.114 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -5.302 3.703 -1.087 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.991 1.986 1.786 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.546 5.593 -0.440 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.430 3.156 3.393 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -7.991 6.762 1.164 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.659 6.498 3.582 1.00 0.00 H new ATOM 1115 N THR B 17 -7.470 3.412 -2.968 1.00 0.00 N ATOM 1116 CA THR B 17 -8.530 4.125 -3.672 1.00 0.00 C ATOM 1117 C THR B 17 -9.608 3.176 -4.202 1.00 0.00 C ATOM 1118 O THR B 17 -10.796 3.413 -4.008 1.00 0.00 O ATOM 1119 CB THR B 17 -7.932 4.950 -4.816 1.00 0.00 C ATOM 1120 OG1 THR B 17 -6.728 5.573 -4.398 1.00 0.00 O ATOM 1121 CG2 THR B 17 -8.855 6.041 -5.332 1.00 0.00 C ATOM 0 H THR B 17 -6.533 3.587 -3.330 1.00 0.00 H new ATOM 0 HA THR B 17 -9.013 4.792 -2.958 1.00 0.00 H new ATOM 0 HB THR B 17 -7.760 4.238 -5.623 1.00 0.00 H new ATOM 0 HG1 THR B 17 -5.962 5.049 -4.713 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.363 6.582 -6.140 1.00 0.00 H new ATOM 0 HG22 THR B 17 -9.776 5.592 -5.704 1.00 0.00 H new ATOM 0 HG23 THR B 17 -9.089 6.732 -4.523 1.00 0.00 H new ATOM 1129 N VAL B 18 -9.199 2.103 -4.871 1.00 0.00 N ATOM 1130 CA VAL B 18 -10.158 1.138 -5.417 1.00 0.00 C ATOM 1131 C VAL B 18 -11.208 0.731 -4.381 1.00 0.00 C ATOM 1132 O VAL B 18 -12.319 0.341 -4.735 1.00 0.00 O ATOM 1133 CB VAL B 18 -9.455 -0.129 -5.962 1.00 0.00 C ATOM 1134 CG1 VAL B 18 -8.602 0.205 -7.181 1.00 0.00 C ATOM 1135 CG2 VAL B 18 -8.613 -0.794 -4.879 1.00 0.00 C ATOM 0 H VAL B 18 -8.220 1.877 -5.049 1.00 0.00 H new ATOM 0 HA VAL B 18 -10.658 1.643 -6.243 1.00 0.00 H new ATOM 0 HB VAL B 18 -10.227 -0.834 -6.271 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -8.118 -0.701 -7.546 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -9.235 0.619 -7.966 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -7.842 0.936 -6.904 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -8.130 -1.682 -5.287 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -7.853 -0.096 -4.529 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -9.254 -1.081 -4.045 1.00 0.00 H new ATOM 1145 N GLU B 19 -10.847 0.827 -3.103 1.00 0.00 N ATOM 1146 CA GLU B 19 -11.762 0.469 -2.018 1.00 0.00 C ATOM 1147 C GLU B 19 -12.776 1.582 -1.751 1.00 0.00 C ATOM 1148 O GLU B 19 -13.953 1.308 -1.511 1.00 0.00 O ATOM 1149 CB GLU B 19 -10.983 0.152 -0.738 1.00 0.00 C ATOM 1150 CG GLU B 19 -10.222 -1.164 -0.795 1.00 0.00 C ATOM 1151 CD GLU B 19 -11.126 -2.372 -0.642 1.00 0.00 C ATOM 1152 OE1 GLU B 19 -12.362 -2.205 -0.715 1.00 0.00 O ATOM 1153 OE2 GLU B 19 -10.596 -3.488 -0.450 1.00 0.00 O ATOM 0 H GLU B 19 -9.930 1.149 -2.793 1.00 0.00 H new ATOM 0 HA GLU B 19 -12.309 -0.421 -2.331 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -10.279 0.961 -0.542 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -11.677 0.124 0.102 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -9.691 -1.231 -1.745 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -9.469 -1.177 -0.007 1.00 0.00 H new ATOM 1160 N VAL B 20 -12.323 2.835 -1.781 1.00 0.00 N ATOM 1161 CA VAL B 20 -13.212 3.965 -1.528 1.00 0.00 C ATOM 1162 C VAL B 20 -14.360 4.002 -2.539 1.00 0.00 C ATOM 1163 O VAL B 20 -15.510 4.247 -2.178 1.00 0.00 O ATOM 1164 CB VAL B 20 -12.443 5.322 -1.531 1.00 0.00 C ATOM 1165 CG1 VAL B 20 -12.354 5.929 -2.927 1.00 0.00 C ATOM 1166 CG2 VAL B 20 -13.086 6.314 -0.568 1.00 0.00 C ATOM 0 H VAL B 20 -11.355 3.090 -1.976 1.00 0.00 H new ATOM 0 HA VAL B 20 -13.631 3.822 -0.532 1.00 0.00 H new ATOM 0 HB VAL B 20 -11.427 5.110 -1.197 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -11.810 6.873 -2.880 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -11.830 5.241 -3.590 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.358 6.108 -3.311 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -12.532 7.252 -0.588 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -14.118 6.496 -0.868 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -13.069 5.904 0.442 1.00 0.00 H new ATOM 1176 N LEU B 21 -14.038 3.771 -3.807 1.00 0.00 N ATOM 1177 CA LEU B 21 -15.045 3.794 -4.864 1.00 0.00 C ATOM 1178 C LEU B 21 -16.116 2.722 -4.643 1.00 0.00 C ATOM 1179 O LEU B 21 -17.310 3.020 -4.658 1.00 0.00 O ATOM 1180 CB LEU B 21 -14.391 3.600 -6.245 1.00 0.00 C ATOM 1181 CG LEU B 21 -13.904 4.876 -6.956 1.00 0.00 C ATOM 1182 CD1 LEU B 21 -15.015 5.921 -7.046 1.00 0.00 C ATOM 1183 CD2 LEU B 21 -12.669 5.454 -6.270 1.00 0.00 C ATOM 0 H LEU B 21 -13.092 3.566 -4.128 1.00 0.00 H new ATOM 0 HA LEU B 21 -15.527 4.771 -4.831 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -13.541 2.928 -6.129 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -15.108 3.099 -6.895 1.00 0.00 H new ATOM 0 HG LEU B 21 -13.625 4.597 -7.972 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -14.639 6.809 -7.553 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -15.855 5.511 -7.607 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -15.345 6.189 -6.042 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -12.349 6.354 -6.795 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -12.910 5.703 -5.237 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -11.865 4.718 -6.288 1.00 0.00 H new ATOM 1195 N ARG B 22 -15.687 1.472 -4.471 1.00 0.00 N ATOM 1196 CA ARG B 22 -16.627 0.359 -4.287 1.00 0.00 C ATOM 1197 C ARG B 22 -17.190 0.268 -2.865 1.00 0.00 C ATOM 1198 O ARG B 22 -18.251 -0.321 -2.661 1.00 0.00 O ATOM 1199 CB ARG B 22 -15.968 -0.973 -4.666 1.00 0.00 C ATOM 1200 CG ARG B 22 -14.925 -1.465 -3.673 1.00 0.00 C ATOM 1201 CD ARG B 22 -14.386 -2.839 -4.057 1.00 0.00 C ATOM 1202 NE ARG B 22 -13.011 -3.030 -3.606 1.00 0.00 N ATOM 1203 CZ ARG B 22 -12.388 -4.207 -3.593 1.00 0.00 C ATOM 1204 NH1 ARG B 22 -13.008 -5.303 -4.016 1.00 0.00 N ATOM 1205 NH2 ARG B 22 -11.139 -4.288 -3.159 1.00 0.00 N ATOM 0 H ARG B 22 -14.703 1.203 -4.455 1.00 0.00 H new ATOM 0 HA ARG B 22 -17.467 0.562 -4.951 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -16.744 -1.732 -4.765 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -15.499 -0.867 -5.644 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -14.102 -0.751 -3.626 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -15.364 -1.512 -2.677 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -15.021 -3.612 -3.624 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -14.433 -2.958 -5.140 1.00 0.00 H new ATOM 0 HE ARG B 22 -12.496 -2.212 -3.281 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -13.969 -5.247 -4.354 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.523 -6.200 -4.003 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -10.656 -3.450 -2.836 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -10.660 -5.189 -3.148 1.00 0.00 H new ATOM 1219 N GLN B 23 -16.483 0.826 -1.880 1.00 0.00 N ATOM 1220 CA GLN B 23 -16.938 0.764 -0.487 1.00 0.00 C ATOM 1221 C GLN B 23 -17.570 2.082 -0.053 1.00 0.00 C ATOM 1222 O GLN B 23 -18.682 2.103 0.473 1.00 0.00 O ATOM 1223 CB GLN B 23 -15.765 0.405 0.435 1.00 0.00 C ATOM 1224 CG GLN B 23 -16.189 -0.254 1.740 1.00 0.00 C ATOM 1225 CD GLN B 23 -17.272 0.521 2.467 1.00 0.00 C ATOM 1226 OE1 GLN B 23 -18.463 0.314 2.232 1.00 0.00 O ATOM 1227 NE2 GLN B 23 -16.864 1.418 3.357 1.00 0.00 N ATOM 0 H GLN B 23 -15.602 1.321 -2.017 1.00 0.00 H new ATOM 0 HA GLN B 23 -17.700 -0.012 -0.413 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -15.089 -0.265 -0.097 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -15.203 1.311 0.662 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -16.548 -1.262 1.533 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -15.320 -0.352 2.391 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -15.867 1.557 3.520 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -17.548 1.968 3.877 1.00 0.00 H new ATOM 1236 N GLN B 24 -16.852 3.173 -0.280 1.00 0.00 N ATOM 1237 CA GLN B 24 -17.330 4.502 0.079 1.00 0.00 C ATOM 1238 C GLN B 24 -17.500 4.647 1.597 1.00 0.00 C ATOM 1239 O GLN B 24 -18.614 4.822 2.090 1.00 0.00 O ATOM 1240 CB GLN B 24 -18.655 4.810 -0.628 1.00 0.00 C ATOM 1241 CG GLN B 24 -18.622 4.561 -2.128 1.00 0.00 C ATOM 1242 CD GLN B 24 -17.796 5.590 -2.874 1.00 0.00 C ATOM 1243 OE1 GLN B 24 -17.131 6.428 -2.267 1.00 0.00 O ATOM 1244 NE2 GLN B 24 -17.834 5.529 -4.200 1.00 0.00 N ATOM 0 H GLN B 24 -15.929 3.164 -0.715 1.00 0.00 H new ATOM 0 HA GLN B 24 -16.577 5.219 -0.249 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -19.443 4.201 -0.185 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -18.919 5.852 -0.448 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -18.216 3.568 -2.318 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -19.641 4.568 -2.516 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -18.400 4.817 -4.662 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -17.298 6.194 -4.757 1.00 0.00 H new ATOM 1253 N PRO B 25 -16.390 4.581 2.358 1.00 0.00 N ATOM 1254 CA PRO B 25 -16.418 4.711 3.823 1.00 0.00 C ATOM 1255 C PRO B 25 -16.728 6.140 4.271 1.00 0.00 C ATOM 1256 O PRO B 25 -16.683 7.072 3.468 1.00 0.00 O ATOM 1257 CB PRO B 25 -14.993 4.314 4.231 1.00 0.00 C ATOM 1258 CG PRO B 25 -14.164 4.667 3.050 1.00 0.00 C ATOM 1259 CD PRO B 25 -15.022 4.379 1.853 1.00 0.00 C ATOM 0 HA PRO B 25 -17.195 4.098 4.279 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -14.669 4.854 5.121 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -14.926 3.251 4.461 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -13.869 5.716 3.078 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -13.247 4.079 3.025 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -14.796 5.051 1.025 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -14.874 3.363 1.488 1.00 0.00 H new ATOM 1267 N PRO B 26 -17.060 6.332 5.563 1.00 0.00 N ATOM 1268 CA PRO B 26 -17.389 7.656 6.103 1.00 0.00 C ATOM 1269 C PRO B 26 -16.157 8.529 6.349 1.00 0.00 C ATOM 1270 O PRO B 26 -16.257 9.757 6.342 1.00 0.00 O ATOM 1271 CB PRO B 26 -18.087 7.320 7.423 1.00 0.00 C ATOM 1272 CG PRO B 26 -17.449 6.048 7.859 1.00 0.00 C ATOM 1273 CD PRO B 26 -17.159 5.278 6.596 1.00 0.00 C ATOM 0 HA PRO B 26 -17.996 8.239 5.410 1.00 0.00 H new ATOM 0 HB2 PRO B 26 -17.946 8.110 8.161 1.00 0.00 H new ATOM 0 HB3 PRO B 26 -19.162 7.200 7.286 1.00 0.00 H new ATOM 0 HG2 PRO B 26 -16.533 6.242 8.418 1.00 0.00 H new ATOM 0 HG3 PRO B 26 -18.111 5.485 8.517 1.00 0.00 H new ATOM 0 HD2 PRO B 26 -16.234 4.708 6.677 1.00 0.00 H new ATOM 0 HD3 PRO B 26 -17.953 4.567 6.369 1.00 0.00 H new ATOM 1281 N ASP B 27 -15.000 7.902 6.576 1.00 0.00 N ATOM 1282 CA ASP B 27 -13.763 8.643 6.833 1.00 0.00 C ATOM 1283 C ASP B 27 -12.614 8.105 5.987 1.00 0.00 C ATOM 1284 O ASP B 27 -12.408 6.895 5.890 1.00 0.00 O ATOM 1285 CB ASP B 27 -13.407 8.580 8.325 1.00 0.00 C ATOM 1286 CG ASP B 27 -13.809 7.264 8.965 1.00 0.00 C ATOM 1287 OD1 ASP B 27 -13.715 6.220 8.286 1.00 0.00 O ATOM 1288 OD2 ASP B 27 -14.215 7.278 10.146 1.00 0.00 O ATOM 0 H ASP B 27 -14.894 6.888 6.587 1.00 0.00 H new ATOM 0 HA ASP B 27 -13.926 9.684 6.553 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -12.333 8.725 8.445 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -13.900 9.400 8.848 1.00 0.00 H new ATOM 1293 N LEU B 28 -11.871 9.022 5.375 1.00 0.00 N ATOM 1294 CA LEU B 28 -10.739 8.663 4.529 1.00 0.00 C ATOM 1295 C LEU B 28 -9.497 8.372 5.368 1.00 0.00 C ATOM 1296 O LEU B 28 -8.842 7.345 5.193 1.00 0.00 O ATOM 1297 CB LEU B 28 -10.438 9.796 3.542 1.00 0.00 C ATOM 1298 CG LEU B 28 -11.542 10.078 2.506 1.00 0.00 C ATOM 1299 CD1 LEU B 28 -11.679 11.575 2.253 1.00 0.00 C ATOM 1300 CD2 LEU B 28 -11.261 9.345 1.200 1.00 0.00 C ATOM 0 H LEU B 28 -12.035 10.026 5.451 1.00 0.00 H new ATOM 0 HA LEU B 28 -11.004 7.761 3.978 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -10.252 10.709 4.108 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -9.517 9.557 3.011 1.00 0.00 H new ATOM 0 HG LEU B 28 -12.484 9.709 2.913 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -12.465 11.749 1.518 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -11.935 12.080 3.185 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.735 11.968 1.875 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -12.054 9.560 0.484 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -10.306 9.678 0.794 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -11.221 8.272 1.386 1.00 0.00 H new ATOM 1312 N VAL B 29 -9.175 9.294 6.269 1.00 0.00 N ATOM 1313 CA VAL B 29 -8.005 9.154 7.128 1.00 0.00 C ATOM 1314 C VAL B 29 -8.072 7.884 7.976 1.00 0.00 C ATOM 1315 O VAL B 29 -7.077 7.173 8.115 1.00 0.00 O ATOM 1316 CB VAL B 29 -7.839 10.385 8.050 1.00 0.00 C ATOM 1317 CG1 VAL B 29 -8.995 10.478 9.041 1.00 0.00 C ATOM 1318 CG2 VAL B 29 -6.488 10.357 8.769 1.00 0.00 C ATOM 0 H VAL B 29 -9.710 10.149 6.423 1.00 0.00 H new ATOM 0 HA VAL B 29 -7.139 9.083 6.470 1.00 0.00 H new ATOM 0 HB VAL B 29 -7.860 11.280 7.428 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -8.858 11.351 9.679 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -9.935 10.571 8.496 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -9.020 9.579 9.656 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -6.399 11.234 9.410 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -6.418 9.455 9.377 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -5.684 10.362 8.033 1.00 0.00 H new ATOM 1328 N GLU B 30 -9.240 7.606 8.548 1.00 0.00 N ATOM 1329 CA GLU B 30 -9.411 6.422 9.386 1.00 0.00 C ATOM 1330 C GLU B 30 -9.316 5.147 8.554 1.00 0.00 C ATOM 1331 O GLU B 30 -8.493 4.274 8.831 1.00 0.00 O ATOM 1332 CB GLU B 30 -10.756 6.476 10.115 1.00 0.00 C ATOM 1333 CG GLU B 30 -10.800 5.635 11.380 1.00 0.00 C ATOM 1334 CD GLU B 30 -12.180 5.595 12.005 1.00 0.00 C ATOM 1335 OE1 GLU B 30 -12.545 6.565 12.702 1.00 0.00 O ATOM 1336 OE2 GLU B 30 -12.897 4.593 11.797 1.00 0.00 O ATOM 0 H GLU B 30 -10.077 8.180 8.448 1.00 0.00 H new ATOM 0 HA GLU B 30 -8.609 6.410 10.124 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -10.979 7.512 10.370 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -11.540 6.138 9.437 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -10.481 4.619 11.148 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -10.089 6.035 12.103 1.00 0.00 H new ATOM 1343 N PHE B 31 -10.162 5.046 7.534 1.00 0.00 N ATOM 1344 CA PHE B 31 -10.171 3.878 6.659 1.00 0.00 C ATOM 1345 C PHE B 31 -8.778 3.597 6.094 1.00 0.00 C ATOM 1346 O PHE B 31 -8.466 2.464 5.724 1.00 0.00 O ATOM 1347 CB PHE B 31 -11.167 4.088 5.519 1.00 0.00 C ATOM 1348 CG PHE B 31 -11.346 2.875 4.647 1.00 0.00 C ATOM 1349 CD1 PHE B 31 -11.862 1.701 5.173 1.00 0.00 C ATOM 1350 CD2 PHE B 31 -10.999 2.908 3.306 1.00 0.00 C ATOM 1351 CE1 PHE B 31 -12.028 0.584 4.376 1.00 0.00 C ATOM 1352 CE2 PHE B 31 -11.164 1.795 2.505 1.00 0.00 C ATOM 1353 CZ PHE B 31 -11.679 0.631 3.040 1.00 0.00 C ATOM 0 H PHE B 31 -10.851 5.759 7.293 1.00 0.00 H new ATOM 0 HA PHE B 31 -10.475 3.014 7.250 1.00 0.00 H new ATOM 0 HB2 PHE B 31 -12.133 4.370 5.938 1.00 0.00 H new ATOM 0 HB3 PHE B 31 -10.831 4.922 4.903 1.00 0.00 H new ATOM 0 HD1 PHE B 31 -12.137 1.659 6.216 1.00 0.00 H new ATOM 0 HD2 PHE B 31 -10.595 3.815 2.882 1.00 0.00 H new ATOM 0 HE1 PHE B 31 -12.430 -0.325 4.797 1.00 0.00 H new ATOM 0 HE2 PHE B 31 -10.890 1.835 1.461 1.00 0.00 H new ATOM 0 HZ PHE B 31 -11.809 -0.241 2.416 1.00 0.00 H new ATOM 1363 N ALA B 32 -7.951 4.636 6.019 1.00 0.00 N ATOM 1364 CA ALA B 32 -6.596 4.509 5.486 1.00 0.00 C ATOM 1365 C ALA B 32 -5.636 3.881 6.492 1.00 0.00 C ATOM 1366 O ALA B 32 -4.771 3.089 6.117 1.00 0.00 O ATOM 1367 CB ALA B 32 -6.091 5.869 5.036 1.00 0.00 C ATOM 0 H ALA B 32 -8.196 5.579 6.322 1.00 0.00 H new ATOM 0 HA ALA B 32 -6.637 3.837 4.629 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -5.081 5.769 4.640 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -6.748 6.263 4.260 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -6.082 6.553 5.885 1.00 0.00 H new ATOM 1373 N VAL B 33 -5.783 4.229 7.764 1.00 0.00 N ATOM 1374 CA VAL B 33 -4.913 3.679 8.798 1.00 0.00 C ATOM 1375 C VAL B 33 -5.052 2.160 8.870 1.00 0.00 C ATOM 1376 O VAL B 33 -4.061 1.432 8.834 1.00 0.00 O ATOM 1377 CB VAL B 33 -5.216 4.294 10.185 1.00 0.00 C ATOM 1378 CG1 VAL B 33 -4.539 3.503 11.301 1.00 0.00 C ATOM 1379 CG2 VAL B 33 -4.781 5.753 10.224 1.00 0.00 C ATOM 0 H VAL B 33 -6.489 4.883 8.103 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.889 3.934 8.526 1.00 0.00 H new ATOM 0 HB VAL B 33 -6.293 4.245 10.348 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -4.771 3.960 12.263 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -4.902 2.475 11.290 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -3.460 3.508 11.148 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -5.001 6.172 11.206 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -3.710 5.819 10.033 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -5.321 6.314 9.461 1.00 0.00 H new ATOM 1389 N GLU B 34 -6.291 1.696 8.977 1.00 0.00 N ATOM 1390 CA GLU B 34 -6.575 0.268 9.063 1.00 0.00 C ATOM 1391 C GLU B 34 -6.105 -0.474 7.812 1.00 0.00 C ATOM 1392 O GLU B 34 -5.498 -1.541 7.907 1.00 0.00 O ATOM 1393 CB GLU B 34 -8.075 0.044 9.268 1.00 0.00 C ATOM 1394 CG GLU B 34 -8.614 0.656 10.553 1.00 0.00 C ATOM 1395 CD GLU B 34 -8.170 -0.102 11.790 1.00 0.00 C ATOM 1396 OE1 GLU B 34 -7.061 0.179 12.291 1.00 0.00 O ATOM 1397 OE2 GLU B 34 -8.930 -0.976 12.255 1.00 0.00 O ATOM 0 H GLU B 34 -7.119 2.291 9.006 1.00 0.00 H new ATOM 0 HA GLU B 34 -6.026 -0.131 9.916 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -8.616 0.465 8.420 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -8.276 -1.027 9.274 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -8.280 1.691 10.626 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -9.703 0.674 10.514 1.00 0.00 H new ATOM 1404 N TYR B 35 -6.395 0.089 6.644 1.00 0.00 N ATOM 1405 CA TYR B 35 -6.007 -0.531 5.378 1.00 0.00 C ATOM 1406 C TYR B 35 -4.490 -0.649 5.257 1.00 0.00 C ATOM 1407 O TYR B 35 -3.961 -1.751 5.120 1.00 0.00 O ATOM 1408 CB TYR B 35 -6.562 0.276 4.201 1.00 0.00 C ATOM 1409 CG TYR B 35 -6.323 -0.373 2.852 1.00 0.00 C ATOM 1410 CD1 TYR B 35 -7.242 -1.268 2.317 1.00 0.00 C ATOM 1411 CD2 TYR B 35 -5.179 -0.089 2.116 1.00 0.00 C ATOM 1412 CE1 TYR B 35 -7.027 -1.861 1.087 1.00 0.00 C ATOM 1413 CE2 TYR B 35 -4.958 -0.678 0.885 1.00 0.00 C ATOM 1414 CZ TYR B 35 -5.885 -1.563 0.376 1.00 0.00 C ATOM 1415 OH TYR B 35 -5.669 -2.151 -0.849 1.00 0.00 O ATOM 0 H TYR B 35 -6.896 0.972 6.545 1.00 0.00 H new ATOM 0 HA TYR B 35 -6.428 -1.536 5.357 1.00 0.00 H new ATOM 0 HB2 TYR B 35 -7.634 0.417 4.342 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -6.107 1.266 4.204 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -8.138 -1.504 2.871 1.00 0.00 H new ATOM 0 HD2 TYR B 35 -4.451 0.603 2.512 1.00 0.00 H new ATOM 0 HE1 TYR B 35 -7.751 -2.555 0.685 1.00 0.00 H new ATOM 0 HE2 TYR B 35 -4.064 -0.446 0.325 1.00 0.00 H new ATOM 0 HH TYR B 35 -6.317 -1.805 -1.497 1.00 0.00 H new ATOM 1425 N PHE B 36 -3.790 0.480 5.293 1.00 0.00 N ATOM 1426 CA PHE B 36 -2.333 0.474 5.173 1.00 0.00 C ATOM 1427 C PHE B 36 -1.701 -0.478 6.188 1.00 0.00 C ATOM 1428 O PHE B 36 -0.769 -1.211 5.860 1.00 0.00 O ATOM 1429 CB PHE B 36 -1.777 1.895 5.334 1.00 0.00 C ATOM 1430 CG PHE B 36 -1.711 2.657 4.036 1.00 0.00 C ATOM 1431 CD1 PHE B 36 -0.851 2.249 3.030 1.00 0.00 C ATOM 1432 CD2 PHE B 36 -2.507 3.774 3.819 1.00 0.00 C ATOM 1433 CE1 PHE B 36 -0.783 2.938 1.835 1.00 0.00 C ATOM 1434 CE2 PHE B 36 -2.442 4.466 2.624 1.00 0.00 C ATOM 1435 CZ PHE B 36 -1.578 4.047 1.631 1.00 0.00 C ATOM 0 H PHE B 36 -4.203 1.406 5.403 1.00 0.00 H new ATOM 0 HA PHE B 36 -2.075 0.114 4.177 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -2.401 2.444 6.039 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -0.778 1.841 5.767 1.00 0.00 H new ATOM 0 HD1 PHE B 36 -0.226 1.381 3.182 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -3.184 4.106 4.592 1.00 0.00 H new ATOM 0 HE1 PHE B 36 -0.107 2.608 1.060 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -3.066 5.333 2.467 1.00 0.00 H new ATOM 0 HZ PHE B 36 -1.525 4.586 0.697 1.00 0.00 H new ATOM 1445 N THR B 37 -2.216 -0.475 7.412 1.00 0.00 N ATOM 1446 CA THR B 37 -1.695 -1.358 8.449 1.00 0.00 C ATOM 1447 C THR B 37 -1.947 -2.814 8.066 1.00 0.00 C ATOM 1448 O THR B 37 -1.092 -3.678 8.264 1.00 0.00 O ATOM 1449 CB THR B 37 -2.340 -1.046 9.801 1.00 0.00 C ATOM 1450 OG1 THR B 37 -3.752 -0.994 9.688 1.00 0.00 O ATOM 1451 CG2 THR B 37 -1.875 0.264 10.399 1.00 0.00 C ATOM 0 H THR B 37 -2.987 0.123 7.709 1.00 0.00 H new ATOM 0 HA THR B 37 -0.621 -1.194 8.538 1.00 0.00 H new ATOM 0 HB THR B 37 -2.030 -1.857 10.460 1.00 0.00 H new ATOM 0 HG1 THR B 37 -4.039 -0.061 9.603 1.00 0.00 H new ATOM 0 HG21 THR B 37 -2.371 0.423 11.356 1.00 0.00 H new ATOM 0 HG22 THR B 37 -0.796 0.232 10.550 1.00 0.00 H new ATOM 0 HG23 THR B 37 -2.122 1.081 9.722 1.00 0.00 H new ATOM 1459 N ARG B 38 -3.126 -3.069 7.506 1.00 0.00 N ATOM 1460 CA ARG B 38 -3.496 -4.416 7.080 1.00 0.00 C ATOM 1461 C ARG B 38 -2.448 -4.975 6.121 1.00 0.00 C ATOM 1462 O ARG B 38 -2.005 -6.113 6.266 1.00 0.00 O ATOM 1463 CB ARG B 38 -4.878 -4.404 6.415 1.00 0.00 C ATOM 1464 CG ARG B 38 -5.513 -5.787 6.279 1.00 0.00 C ATOM 1465 CD ARG B 38 -7.035 -5.717 6.302 1.00 0.00 C ATOM 1466 NE ARG B 38 -7.650 -6.920 5.743 1.00 0.00 N ATOM 1467 CZ ARG B 38 -7.673 -7.209 4.444 1.00 0.00 C ATOM 1468 NH1 ARG B 38 -7.105 -6.393 3.563 1.00 0.00 N ATOM 1469 NH2 ARG B 38 -8.263 -8.319 4.024 1.00 0.00 N ATOM 0 H ARG B 38 -3.841 -2.362 7.337 1.00 0.00 H new ATOM 0 HA ARG B 38 -3.540 -5.060 7.959 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -5.544 -3.765 6.995 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -4.790 -3.957 5.425 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -5.185 -6.247 5.347 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -5.167 -6.427 7.090 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -7.376 -5.580 7.328 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -7.366 -4.845 5.737 1.00 0.00 H new ATOM 0 HE ARG B 38 -8.088 -7.578 6.388 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -6.647 -5.539 3.881 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -7.126 -6.621 2.569 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -8.699 -8.951 4.696 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -8.281 -8.542 3.029 1.00 0.00 H new ATOM 1483 N LEU B 39 -2.056 -4.164 5.143 1.00 0.00 N ATOM 1484 CA LEU B 39 -1.058 -4.578 4.160 1.00 0.00 C ATOM 1485 C LEU B 39 0.258 -4.936 4.847 1.00 0.00 C ATOM 1486 O LEU B 39 0.777 -6.038 4.676 1.00 0.00 O ATOM 1487 CB LEU B 39 -0.836 -3.469 3.117 1.00 0.00 C ATOM 1488 CG LEU B 39 -1.573 -3.670 1.788 1.00 0.00 C ATOM 1489 CD1 LEU B 39 -3.077 -3.662 2.005 1.00 0.00 C ATOM 1490 CD2 LEU B 39 -1.171 -2.596 0.787 1.00 0.00 C ATOM 0 H LEU B 39 -2.413 -3.218 5.009 1.00 0.00 H new ATOM 0 HA LEU B 39 -1.430 -5.465 3.647 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -1.149 -2.518 3.548 1.00 0.00 H new ATOM 0 HB3 LEU B 39 0.232 -3.391 2.914 1.00 0.00 H new ATOM 0 HG LEU B 39 -1.291 -4.641 1.382 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -3.583 -3.806 1.050 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -3.351 -4.468 2.686 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -3.378 -2.706 2.434 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -1.704 -2.755 -0.150 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -1.423 -1.614 1.186 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -0.097 -2.650 0.607 1.00 0.00 H new ATOM 1502 N ARG B 40 0.793 -3.997 5.621 1.00 0.00 N ATOM 1503 CA ARG B 40 2.053 -4.211 6.332 1.00 0.00 C ATOM 1504 C ARG B 40 2.079 -5.567 7.035 1.00 0.00 C ATOM 1505 O ARG B 40 2.902 -6.426 6.720 1.00 0.00 O ATOM 1506 CB ARG B 40 2.275 -3.097 7.363 1.00 0.00 C ATOM 1507 CG ARG B 40 2.744 -1.783 6.760 1.00 0.00 C ATOM 1508 CD ARG B 40 4.217 -1.834 6.382 1.00 0.00 C ATOM 1509 NE ARG B 40 5.076 -1.900 7.558 1.00 0.00 N ATOM 1510 CZ ARG B 40 6.384 -2.146 7.511 1.00 0.00 C ATOM 1511 NH1 ARG B 40 6.992 -2.338 6.346 1.00 0.00 N ATOM 1512 NH2 ARG B 40 7.088 -2.198 8.635 1.00 0.00 N ATOM 0 H ARG B 40 0.375 -3.079 5.773 1.00 0.00 H new ATOM 0 HA ARG B 40 2.854 -4.194 5.593 1.00 0.00 H new ATOM 0 HB2 ARG B 40 1.344 -2.925 7.904 1.00 0.00 H new ATOM 0 HB3 ARG B 40 3.011 -3.433 8.094 1.00 0.00 H new ATOM 0 HG2 ARG B 40 2.149 -1.555 5.876 1.00 0.00 H new ATOM 0 HG3 ARG B 40 2.579 -0.975 7.473 1.00 0.00 H new ATOM 0 HD2 ARG B 40 4.400 -2.702 5.749 1.00 0.00 H new ATOM 0 HD3 ARG B 40 4.472 -0.952 5.795 1.00 0.00 H new ATOM 0 HE ARG B 40 4.649 -1.749 8.472 1.00 0.00 H new ATOM 0 HH11 ARG B 40 6.457 -2.298 5.479 1.00 0.00 H new ATOM 0 HH12 ARG B 40 7.994 -2.526 6.319 1.00 0.00 H new ATOM 0 HH21 ARG B 40 6.627 -2.050 9.533 1.00 0.00 H new ATOM 0 HH22 ARG B 40 8.090 -2.386 8.601 1.00 0.00 H new ATOM 1754 N GLU C 591 -13.879 -4.226 -12.224 1.00 0.00 N ATOM 1755 CA GLU C 591 -13.369 -3.658 -13.473 1.00 0.00 C ATOM 1756 C GLU C 591 -13.413 -2.127 -13.474 1.00 0.00 C ATOM 1757 O GLU C 591 -12.383 -1.475 -13.304 1.00 0.00 O ATOM 1758 CB GLU C 591 -14.161 -4.213 -14.662 1.00 0.00 C ATOM 1759 CG GLU C 591 -14.270 -5.730 -14.665 1.00 0.00 C ATOM 1760 CD GLU C 591 -15.271 -6.248 -13.650 1.00 0.00 C ATOM 1761 OE1 GLU C 591 -16.373 -5.669 -13.553 1.00 0.00 O ATOM 1762 OE2 GLU C 591 -14.951 -7.233 -12.952 1.00 0.00 O ATOM 0 HA GLU C 591 -12.323 -3.950 -13.563 1.00 0.00 H new ATOM 0 HB2 GLU C 591 -15.163 -3.785 -14.652 1.00 0.00 H new ATOM 0 HB3 GLU C 591 -13.685 -3.889 -15.588 1.00 0.00 H new ATOM 0 HG2 GLU C 591 -14.560 -6.067 -15.660 1.00 0.00 H new ATOM 0 HG3 GLU C 591 -13.291 -6.161 -14.456 1.00 0.00 H new ATOM 1769 N GLU C 592 -14.599 -1.549 -13.691 1.00 0.00 N ATOM 1770 CA GLU C 592 -14.751 -0.095 -13.738 1.00 0.00 C ATOM 1771 C GLU C 592 -14.185 0.579 -12.488 1.00 0.00 C ATOM 1772 O GLU C 592 -13.847 1.762 -12.512 1.00 0.00 O ATOM 1773 CB GLU C 592 -16.225 0.284 -13.930 1.00 0.00 C ATOM 1774 CG GLU C 592 -16.426 1.575 -14.711 1.00 0.00 C ATOM 1775 CD GLU C 592 -17.861 1.777 -15.153 1.00 0.00 C ATOM 1776 OE1 GLU C 592 -18.775 1.332 -14.427 1.00 0.00 O ATOM 1777 OE2 GLU C 592 -18.070 2.380 -16.226 1.00 0.00 O ATOM 0 H GLU C 592 -15.466 -2.067 -13.836 1.00 0.00 H new ATOM 0 HA GLU C 592 -14.177 0.266 -14.592 1.00 0.00 H new ATOM 0 HB2 GLU C 592 -16.735 -0.528 -14.448 1.00 0.00 H new ATOM 0 HB3 GLU C 592 -16.696 0.384 -12.952 1.00 0.00 H new ATOM 0 HG2 GLU C 592 -16.119 2.419 -14.094 1.00 0.00 H new ATOM 0 HG3 GLU C 592 -15.778 1.568 -15.588 1.00 0.00 H new ATOM 1784 N ILE C 593 -14.073 -0.182 -11.405 1.00 0.00 N ATOM 1785 CA ILE C 593 -13.531 0.346 -10.159 1.00 0.00 C ATOM 1786 C ILE C 593 -12.024 0.531 -10.273 1.00 0.00 C ATOM 1787 O ILE C 593 -11.444 1.385 -9.602 1.00 0.00 O ATOM 1788 CB ILE C 593 -13.851 -0.579 -8.959 1.00 0.00 C ATOM 1789 CG1 ILE C 593 -15.350 -0.528 -8.627 1.00 0.00 C ATOM 1790 CG2 ILE C 593 -13.013 -0.205 -7.736 1.00 0.00 C ATOM 1791 CD1 ILE C 593 -15.789 0.741 -7.919 1.00 0.00 C ATOM 0 H ILE C 593 -14.349 -1.163 -11.365 1.00 0.00 H new ATOM 0 HA ILE C 593 -14.005 1.311 -9.981 1.00 0.00 H new ATOM 0 HB ILE C 593 -13.593 -1.600 -9.240 1.00 0.00 H new ATOM 0 HG12 ILE C 593 -15.919 -0.630 -9.551 1.00 0.00 H new ATOM 0 HG13 ILE C 593 -15.601 -1.385 -8.002 1.00 0.00 H new ATOM 0 HG21 ILE C 593 -13.259 -0.871 -6.909 1.00 0.00 H new ATOM 0 HG22 ILE C 593 -11.954 -0.301 -7.977 1.00 0.00 H new ATOM 0 HG23 ILE C 593 -13.228 0.824 -7.449 1.00 0.00 H new ATOM 0 HD11 ILE C 593 -16.860 0.696 -7.722 1.00 0.00 H new ATOM 0 HD12 ILE C 593 -15.250 0.837 -6.976 1.00 0.00 H new ATOM 0 HD13 ILE C 593 -15.573 1.603 -8.550 1.00 0.00 H new ATOM 1803 N TRP C 594 -11.390 -0.271 -11.126 1.00 0.00 N ATOM 1804 CA TRP C 594 -9.951 -0.191 -11.328 1.00 0.00 C ATOM 1805 C TRP C 594 -9.569 0.951 -12.259 1.00 0.00 C ATOM 1806 O TRP C 594 -8.653 1.720 -11.967 1.00 0.00 O ATOM 1807 CB TRP C 594 -9.413 -1.513 -11.879 1.00 0.00 C ATOM 1808 CG TRP C 594 -7.955 -1.447 -12.204 1.00 0.00 C ATOM 1809 CD1 TRP C 594 -7.396 -0.994 -13.361 1.00 0.00 C ATOM 1810 CD2 TRP C 594 -6.873 -1.831 -11.354 1.00 0.00 C ATOM 1811 NE1 TRP C 594 -6.026 -1.066 -13.281 1.00 0.00 N ATOM 1812 CE2 TRP C 594 -5.682 -1.582 -12.058 1.00 0.00 C ATOM 1813 CE3 TRP C 594 -6.798 -2.361 -10.066 1.00 0.00 C ATOM 1814 CZ2 TRP C 594 -4.429 -1.844 -11.510 1.00 0.00 C ATOM 1815 CZ3 TRP C 594 -5.556 -2.621 -9.524 1.00 0.00 C ATOM 1816 CH2 TRP C 594 -4.386 -2.363 -10.245 1.00 0.00 C ATOM 0 H TRP C 594 -11.854 -0.984 -11.688 1.00 0.00 H new ATOM 0 HA TRP C 594 -9.500 0.006 -10.355 1.00 0.00 H new ATOM 0 HB2 TRP C 594 -9.584 -2.304 -11.148 1.00 0.00 H new ATOM 0 HB3 TRP C 594 -9.970 -1.782 -12.776 1.00 0.00 H new ATOM 0 HD1 TRP C 594 -7.948 -0.632 -14.215 1.00 0.00 H new ATOM 0 HE1 TRP C 594 -5.373 -0.782 -14.011 1.00 0.00 H new ATOM 0 HE3 TRP C 594 -7.697 -2.564 -9.503 1.00 0.00 H new ATOM 0 HZ2 TRP C 594 -3.524 -1.645 -12.064 1.00 0.00 H new ATOM 0 HZ3 TRP C 594 -5.486 -3.030 -8.527 1.00 0.00 H new ATOM 0 HH2 TRP C 594 -3.429 -2.578 -9.794 1.00 0.00 H new ATOM 1827 N LYS C 595 -10.268 1.058 -13.380 1.00 0.00 N ATOM 1828 CA LYS C 595 -9.987 2.112 -14.344 1.00 0.00 C ATOM 1829 C LYS C 595 -10.126 3.478 -13.685 1.00 0.00 C ATOM 1830 O LYS C 595 -9.297 4.362 -13.902 1.00 0.00 O ATOM 1831 CB LYS C 595 -10.930 1.997 -15.549 1.00 0.00 C ATOM 1832 CG LYS C 595 -10.447 1.013 -16.611 1.00 0.00 C ATOM 1833 CD LYS C 595 -11.586 0.541 -17.513 1.00 0.00 C ATOM 1834 CE LYS C 595 -12.345 -0.633 -16.905 1.00 0.00 C ATOM 1835 NZ LYS C 595 -13.736 -0.725 -17.428 1.00 0.00 N ATOM 0 H LYS C 595 -11.029 0.432 -13.643 1.00 0.00 H new ATOM 0 HA LYS C 595 -8.962 2.000 -14.697 1.00 0.00 H new ATOM 0 HB2 LYS C 595 -11.915 1.688 -15.200 1.00 0.00 H new ATOM 0 HB3 LYS C 595 -11.047 2.981 -16.003 1.00 0.00 H new ATOM 0 HG2 LYS C 595 -9.675 1.485 -17.219 1.00 0.00 H new ATOM 0 HG3 LYS C 595 -9.988 0.152 -16.126 1.00 0.00 H new ATOM 0 HD2 LYS C 595 -12.275 1.367 -17.689 1.00 0.00 H new ATOM 0 HD3 LYS C 595 -11.184 0.250 -18.483 1.00 0.00 H new ATOM 0 HE2 LYS C 595 -11.814 -1.560 -17.121 1.00 0.00 H new ATOM 0 HE3 LYS C 595 -12.371 -0.526 -15.821 1.00 0.00 H new ATOM 0 HZ1 LYS C 595 -14.219 -1.536 -16.990 1.00 0.00 H new ATOM 0 HZ2 LYS C 595 -14.251 0.149 -17.200 1.00 0.00 H new ATOM 0 HZ3 LYS C 595 -13.711 -0.853 -18.460 1.00 0.00 H new ATOM 1849 N LYS C 596 -11.176 3.659 -12.894 1.00 0.00 N ATOM 1850 CA LYS C 596 -11.396 4.941 -12.233 1.00 0.00 C ATOM 1851 C LYS C 596 -10.338 5.198 -11.161 1.00 0.00 C ATOM 1852 O LYS C 596 -9.677 6.236 -11.180 1.00 0.00 O ATOM 1853 CB LYS C 596 -12.812 5.011 -11.624 1.00 0.00 C ATOM 1854 CG LYS C 596 -13.683 6.108 -12.222 1.00 0.00 C ATOM 1855 CD LYS C 596 -14.127 5.764 -13.636 1.00 0.00 C ATOM 1856 CE LYS C 596 -14.992 6.864 -14.230 1.00 0.00 C ATOM 1857 NZ LYS C 596 -15.296 6.618 -15.666 1.00 0.00 N ATOM 0 H LYS C 596 -11.879 2.947 -12.696 1.00 0.00 H new ATOM 0 HA LYS C 596 -11.309 5.722 -12.988 1.00 0.00 H new ATOM 0 HB2 LYS C 596 -13.306 4.050 -11.765 1.00 0.00 H new ATOM 0 HB3 LYS C 596 -12.728 5.172 -10.549 1.00 0.00 H new ATOM 0 HG2 LYS C 596 -14.559 6.261 -11.592 1.00 0.00 H new ATOM 0 HG3 LYS C 596 -13.130 7.047 -12.232 1.00 0.00 H new ATOM 0 HD2 LYS C 596 -13.251 5.608 -14.266 1.00 0.00 H new ATOM 0 HD3 LYS C 596 -14.684 4.827 -13.626 1.00 0.00 H new ATOM 0 HE2 LYS C 596 -15.924 6.936 -13.669 1.00 0.00 H new ATOM 0 HE3 LYS C 596 -14.483 7.822 -14.126 1.00 0.00 H new ATOM 0 HZ1 LYS C 596 -15.888 7.391 -16.033 1.00 0.00 H new ATOM 0 HZ2 LYS C 596 -14.408 6.575 -16.206 1.00 0.00 H new ATOM 0 HZ3 LYS C 596 -15.805 5.716 -15.764 1.00 0.00 H new ATOM 1871 N ALA C 597 -10.174 4.262 -10.222 1.00 0.00 N ATOM 1872 CA ALA C 597 -9.195 4.409 -9.148 1.00 0.00 C ATOM 1873 C ALA C 597 -7.818 4.803 -9.681 1.00 0.00 C ATOM 1874 O ALA C 597 -7.078 5.541 -9.028 1.00 0.00 O ATOM 1875 CB ALA C 597 -9.096 3.111 -8.366 1.00 0.00 C ATOM 0 H ALA C 597 -10.709 3.394 -10.186 1.00 0.00 H new ATOM 0 HA ALA C 597 -9.535 5.211 -8.493 1.00 0.00 H new ATOM 0 HB1 ALA C 597 -8.365 3.223 -7.565 1.00 0.00 H new ATOM 0 HB2 ALA C 597 -10.069 2.869 -7.938 1.00 0.00 H new ATOM 0 HB3 ALA C 597 -8.783 2.307 -9.033 1.00 0.00 H new ATOM 1881 N GLU C 598 -7.477 4.306 -10.868 1.00 0.00 N ATOM 1882 CA GLU C 598 -6.189 4.608 -11.481 1.00 0.00 C ATOM 1883 C GLU C 598 -6.087 6.102 -11.784 1.00 0.00 C ATOM 1884 O GLU C 598 -5.011 6.692 -11.687 1.00 0.00 O ATOM 1885 CB GLU C 598 -5.991 3.772 -12.755 1.00 0.00 C ATOM 1886 CG GLU C 598 -5.436 2.379 -12.489 1.00 0.00 C ATOM 1887 CD GLU C 598 -5.037 1.659 -13.762 1.00 0.00 C ATOM 1888 OE1 GLU C 598 -5.602 1.982 -14.829 1.00 0.00 O ATOM 1889 OE2 GLU C 598 -4.160 0.773 -13.693 1.00 0.00 O ATOM 0 H GLU C 598 -8.075 3.693 -11.423 1.00 0.00 H new ATOM 0 HA GLU C 598 -5.396 4.347 -10.781 1.00 0.00 H new ATOM 0 HB2 GLU C 598 -6.946 3.681 -13.272 1.00 0.00 H new ATOM 0 HB3 GLU C 598 -5.315 4.302 -13.426 1.00 0.00 H new ATOM 0 HG2 GLU C 598 -4.569 2.456 -11.832 1.00 0.00 H new ATOM 0 HG3 GLU C 598 -6.184 1.788 -11.961 1.00 0.00 H new ATOM 1896 N GLU C 599 -7.215 6.713 -12.128 1.00 0.00 N ATOM 1897 CA GLU C 599 -7.249 8.143 -12.417 1.00 0.00 C ATOM 1898 C GLU C 599 -6.924 8.941 -11.154 1.00 0.00 C ATOM 1899 O GLU C 599 -6.138 9.887 -11.193 1.00 0.00 O ATOM 1900 CB GLU C 599 -8.624 8.545 -12.955 1.00 0.00 C ATOM 1901 CG GLU C 599 -8.665 9.951 -13.533 1.00 0.00 C ATOM 1902 CD GLU C 599 -9.958 10.241 -14.270 1.00 0.00 C ATOM 1903 OE1 GLU C 599 -10.923 10.696 -13.620 1.00 0.00 O ATOM 1904 OE2 GLU C 599 -10.006 10.012 -15.497 1.00 0.00 O ATOM 0 H GLU C 599 -8.116 6.243 -12.214 1.00 0.00 H new ATOM 0 HA GLU C 599 -6.500 8.364 -13.177 1.00 0.00 H new ATOM 0 HB2 GLU C 599 -8.925 7.835 -13.726 1.00 0.00 H new ATOM 0 HB3 GLU C 599 -9.356 8.471 -12.150 1.00 0.00 H new ATOM 0 HG2 GLU C 599 -8.540 10.675 -12.728 1.00 0.00 H new ATOM 0 HG3 GLU C 599 -7.825 10.084 -14.215 1.00 0.00 H new ATOM 1911 N ALA C 600 -7.535 8.555 -10.038 1.00 0.00 N ATOM 1912 CA ALA C 600 -7.317 9.234 -8.762 1.00 0.00 C ATOM 1913 C ALA C 600 -5.836 9.318 -8.406 1.00 0.00 C ATOM 1914 O ALA C 600 -5.382 10.314 -7.845 1.00 0.00 O ATOM 1915 CB ALA C 600 -8.083 8.521 -7.660 1.00 0.00 C ATOM 0 H ALA C 600 -8.188 7.773 -9.990 1.00 0.00 H new ATOM 0 HA ALA C 600 -7.686 10.255 -8.861 1.00 0.00 H new ATOM 0 HB1 ALA C 600 -7.916 9.032 -6.712 1.00 0.00 H new ATOM 0 HB2 ALA C 600 -9.148 8.528 -7.894 1.00 0.00 H new ATOM 0 HB3 ALA C 600 -7.735 7.491 -7.583 1.00 0.00 H new ATOM 1921 N VAL C 601 -5.092 8.262 -8.715 1.00 0.00 N ATOM 1922 CA VAL C 601 -3.667 8.220 -8.403 1.00 0.00 C ATOM 1923 C VAL C 601 -2.840 9.025 -9.394 1.00 0.00 C ATOM 1924 O VAL C 601 -1.921 9.733 -9.002 1.00 0.00 O ATOM 1925 CB VAL C 601 -3.147 6.772 -8.350 1.00 0.00 C ATOM 1926 CG1 VAL C 601 -1.674 6.734 -7.960 1.00 0.00 C ATOM 1927 CG2 VAL C 601 -3.986 5.973 -7.372 1.00 0.00 C ATOM 0 H VAL C 601 -5.449 7.427 -9.179 1.00 0.00 H new ATOM 0 HA VAL C 601 -3.554 8.674 -7.418 1.00 0.00 H new ATOM 0 HB VAL C 601 -3.233 6.327 -9.341 1.00 0.00 H new ATOM 0 HG11 VAL C 601 -1.332 5.699 -7.930 1.00 0.00 H new ATOM 0 HG12 VAL C 601 -1.089 7.288 -8.694 1.00 0.00 H new ATOM 0 HG13 VAL C 601 -1.546 7.187 -6.977 1.00 0.00 H new ATOM 0 HG21 VAL C 601 -3.620 4.947 -7.332 1.00 0.00 H new ATOM 0 HG22 VAL C 601 -3.916 6.422 -6.381 1.00 0.00 H new ATOM 0 HG23 VAL C 601 -5.026 5.975 -7.698 1.00 0.00 H new ATOM 1937 N ASN C 602 -3.178 8.928 -10.672 1.00 0.00 N ATOM 1938 CA ASN C 602 -2.458 9.670 -11.700 1.00 0.00 C ATOM 1939 C ASN C 602 -2.702 11.167 -11.530 1.00 0.00 C ATOM 1940 O ASN C 602 -1.807 11.982 -11.752 1.00 0.00 O ATOM 1941 CB ASN C 602 -2.900 9.215 -13.097 1.00 0.00 C ATOM 1942 CG ASN C 602 -2.271 7.896 -13.503 1.00 0.00 C ATOM 1943 OD1 ASN C 602 -1.404 7.851 -14.375 1.00 0.00 O ATOM 1944 ND2 ASN C 602 -2.707 6.812 -12.869 1.00 0.00 N ATOM 0 H ASN C 602 -3.940 8.347 -11.021 1.00 0.00 H new ATOM 0 HA ASN C 602 -1.392 9.471 -11.593 1.00 0.00 H new ATOM 0 HB2 ASN C 602 -3.985 9.118 -13.118 1.00 0.00 H new ATOM 0 HB3 ASN C 602 -2.634 9.980 -13.826 1.00 0.00 H new ATOM 0 HD21 ASN C 602 -2.321 5.897 -13.099 1.00 0.00 H new ATOM 0 HD22 ASN C 602 -3.428 6.896 -12.152 1.00 0.00 H new ATOM 1951 N GLU C 603 -3.919 11.517 -11.132 1.00 0.00 N ATOM 1952 CA GLU C 603 -4.284 12.913 -10.926 1.00 0.00 C ATOM 1953 C GLU C 603 -3.565 13.504 -9.718 1.00 0.00 C ATOM 1954 O GLU C 603 -2.879 14.517 -9.840 1.00 0.00 O ATOM 1955 CB GLU C 603 -5.797 13.041 -10.744 1.00 0.00 C ATOM 1956 CG GLU C 603 -6.293 14.478 -10.757 1.00 0.00 C ATOM 1957 CD GLU C 603 -7.758 14.591 -10.386 1.00 0.00 C ATOM 1958 OE1 GLU C 603 -8.060 14.651 -9.176 1.00 0.00 O ATOM 1959 OE2 GLU C 603 -8.603 14.620 -11.306 1.00 0.00 O ATOM 0 H GLU C 603 -4.670 10.853 -10.945 1.00 0.00 H new ATOM 0 HA GLU C 603 -3.977 13.472 -11.810 1.00 0.00 H new ATOM 0 HB2 GLU C 603 -6.298 12.486 -11.537 1.00 0.00 H new ATOM 0 HB3 GLU C 603 -6.081 12.576 -9.800 1.00 0.00 H new ATOM 0 HG2 GLU C 603 -5.699 15.070 -10.061 1.00 0.00 H new ATOM 0 HG3 GLU C 603 -6.139 14.903 -11.749 1.00 0.00 H new ATOM 1966 N VAL C 604 -3.731 12.897 -8.547 1.00 0.00 N ATOM 1967 CA VAL C 604 -3.099 13.409 -7.338 1.00 0.00 C ATOM 1968 C VAL C 604 -1.573 13.438 -7.440 1.00 0.00 C ATOM 1969 O VAL C 604 -0.912 14.249 -6.792 1.00 0.00 O ATOM 1970 CB VAL C 604 -3.511 12.605 -6.094 1.00 0.00 C ATOM 1971 CG1 VAL C 604 -2.882 11.217 -6.097 1.00 0.00 C ATOM 1972 CG2 VAL C 604 -3.132 13.369 -4.840 1.00 0.00 C ATOM 0 H VAL C 604 -4.293 12.057 -8.411 1.00 0.00 H new ATOM 0 HA VAL C 604 -3.454 14.434 -7.233 1.00 0.00 H new ATOM 0 HB VAL C 604 -4.592 12.470 -6.112 1.00 0.00 H new ATOM 0 HG11 VAL C 604 -3.193 10.675 -5.204 1.00 0.00 H new ATOM 0 HG12 VAL C 604 -3.206 10.673 -6.984 1.00 0.00 H new ATOM 0 HG13 VAL C 604 -1.796 11.310 -6.105 1.00 0.00 H new ATOM 0 HG21 VAL C 604 -3.426 12.795 -3.961 1.00 0.00 H new ATOM 0 HG22 VAL C 604 -2.054 13.530 -4.824 1.00 0.00 H new ATOM 0 HG23 VAL C 604 -3.643 14.332 -4.832 1.00 0.00 H new ATOM 1982 N LYS C 605 -1.019 12.541 -8.255 1.00 0.00 N ATOM 1983 CA LYS C 605 0.435 12.461 -8.435 1.00 0.00 C ATOM 1984 C LYS C 605 0.973 13.566 -9.342 1.00 0.00 C ATOM 1985 O LYS C 605 1.951 14.232 -9.002 1.00 0.00 O ATOM 1986 CB LYS C 605 0.851 11.090 -8.982 1.00 0.00 C ATOM 1987 CG LYS C 605 1.689 10.277 -8.005 1.00 0.00 C ATOM 1988 CD LYS C 605 2.351 9.089 -8.683 1.00 0.00 C ATOM 1989 CE LYS C 605 1.360 7.973 -8.964 1.00 0.00 C ATOM 1990 NZ LYS C 605 0.503 8.274 -10.146 1.00 0.00 N ATOM 0 H LYS C 605 -1.550 11.861 -8.800 1.00 0.00 H new ATOM 0 HA LYS C 605 0.874 12.600 -7.447 1.00 0.00 H new ATOM 0 HB2 LYS C 605 -0.044 10.524 -9.240 1.00 0.00 H new ATOM 0 HB3 LYS C 605 1.416 11.231 -9.903 1.00 0.00 H new ATOM 0 HG2 LYS C 605 2.454 10.916 -7.563 1.00 0.00 H new ATOM 0 HG3 LYS C 605 1.057 9.925 -7.190 1.00 0.00 H new ATOM 0 HD2 LYS C 605 2.808 9.413 -9.618 1.00 0.00 H new ATOM 0 HD3 LYS C 605 3.154 8.711 -8.050 1.00 0.00 H new ATOM 0 HE2 LYS C 605 1.901 7.042 -9.135 1.00 0.00 H new ATOM 0 HE3 LYS C 605 0.729 7.819 -8.088 1.00 0.00 H new ATOM 0 HZ1 LYS C 605 0.356 7.405 -10.699 1.00 0.00 H new ATOM 0 HZ2 LYS C 605 -0.416 8.639 -9.824 1.00 0.00 H new ATOM 0 HZ3 LYS C 605 0.970 8.988 -10.741 1.00 0.00 H new ATOM 2004 N ARG C 606 0.344 13.759 -10.496 1.00 0.00 N ATOM 2005 CA ARG C 606 0.797 14.787 -11.426 1.00 0.00 C ATOM 2006 C ARG C 606 0.776 16.155 -10.758 1.00 0.00 C ATOM 2007 O ARG C 606 1.599 17.015 -11.068 1.00 0.00 O ATOM 2008 CB ARG C 606 -0.061 14.804 -12.697 1.00 0.00 C ATOM 2009 CG ARG C 606 -1.517 15.182 -12.455 1.00 0.00 C ATOM 2010 CD ARG C 606 -2.271 15.461 -13.755 1.00 0.00 C ATOM 2011 NE ARG C 606 -3.142 16.631 -13.638 1.00 0.00 N ATOM 2012 CZ ARG C 606 -4.111 16.927 -14.503 1.00 0.00 C ATOM 2013 NH1 ARG C 606 -4.325 16.159 -15.565 1.00 0.00 N ATOM 2014 NH2 ARG C 606 -4.864 18.000 -14.309 1.00 0.00 N ATOM 0 H ARG C 606 -0.469 13.227 -10.807 1.00 0.00 H new ATOM 0 HA ARG C 606 1.821 14.550 -11.713 1.00 0.00 H new ATOM 0 HB2 ARG C 606 0.373 15.508 -13.407 1.00 0.00 H new ATOM 0 HB3 ARG C 606 -0.024 13.819 -13.161 1.00 0.00 H new ATOM 0 HG2 ARG C 606 -2.014 14.375 -11.916 1.00 0.00 H new ATOM 0 HG3 ARG C 606 -1.559 16.065 -11.817 1.00 0.00 H new ATOM 0 HD2 ARG C 606 -1.556 15.619 -14.563 1.00 0.00 H new ATOM 0 HD3 ARG C 606 -2.868 14.589 -14.023 1.00 0.00 H new ATOM 0 HE ARG C 606 -2.999 17.258 -12.846 1.00 0.00 H new ATOM 0 HH11 ARG C 606 -3.745 15.335 -15.724 1.00 0.00 H new ATOM 0 HH12 ARG C 606 -5.069 16.393 -16.222 1.00 0.00 H new ATOM 0 HH21 ARG C 606 -4.701 18.598 -13.499 1.00 0.00 H new ATOM 0 HH22 ARG C 606 -5.606 18.228 -14.970 1.00 0.00 H new ATOM 2028 N GLN C 607 -0.170 16.363 -9.847 1.00 0.00 N ATOM 2029 CA GLN C 607 -0.278 17.647 -9.155 1.00 0.00 C ATOM 2030 C GLN C 607 0.739 17.786 -8.018 1.00 0.00 C ATOM 2031 O GLN C 607 1.396 18.817 -7.913 1.00 0.00 O ATOM 2032 CB GLN C 607 -1.699 17.891 -8.641 1.00 0.00 C ATOM 2033 CG GLN C 607 -2.196 16.852 -7.657 1.00 0.00 C ATOM 2034 CD GLN C 607 -3.668 17.029 -7.325 1.00 0.00 C ATOM 2035 OE1 GLN C 607 -4.515 17.070 -8.219 1.00 0.00 O ATOM 2036 NE2 GLN C 607 -3.984 17.136 -6.039 1.00 0.00 N ATOM 0 H GLN C 607 -0.866 15.670 -9.572 1.00 0.00 H new ATOM 0 HA GLN C 607 -0.045 18.414 -9.894 1.00 0.00 H new ATOM 0 HB2 GLN C 607 -1.737 18.871 -8.166 1.00 0.00 H new ATOM 0 HB3 GLN C 607 -2.380 17.923 -9.492 1.00 0.00 H new ATOM 0 HG2 GLN C 607 -2.037 15.857 -8.072 1.00 0.00 H new ATOM 0 HG3 GLN C 607 -1.609 16.913 -6.740 1.00 0.00 H new ATOM 0 HE21 GLN C 607 -3.253 17.097 -5.329 1.00 0.00 H new ATOM 0 HE22 GLN C 607 -4.958 17.257 -5.762 1.00 0.00 H new ATOM 2045 N ALA C 608 0.889 16.764 -7.158 1.00 0.00 N ATOM 2046 CA ALA C 608 1.845 16.835 -6.048 1.00 0.00 C ATOM 2047 C ALA C 608 3.209 17.320 -6.528 1.00 0.00 C ATOM 2048 O ALA C 608 3.921 18.027 -5.815 1.00 0.00 O ATOM 2049 CB ALA C 608 1.976 15.472 -5.384 1.00 0.00 C ATOM 0 H ALA C 608 0.366 15.890 -7.211 1.00 0.00 H new ATOM 0 HA ALA C 608 1.468 17.553 -5.320 1.00 0.00 H new ATOM 0 HB1 ALA C 608 2.688 15.535 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA C 608 1.005 15.159 -5.000 1.00 0.00 H new ATOM 0 HB3 ALA C 608 2.329 14.744 -6.114 1.00 0.00 H new ATOM 2055 N MET C 609 3.554 16.936 -7.746 1.00 0.00 N ATOM 2056 CA MET C 609 4.829 17.335 -8.334 1.00 0.00 C ATOM 2057 C MET C 609 4.867 18.850 -8.561 1.00 0.00 C ATOM 2058 O MET C 609 5.927 19.467 -8.455 1.00 0.00 O ATOM 2059 CB MET C 609 5.095 16.572 -9.644 1.00 0.00 C ATOM 2060 CG MET C 609 4.698 17.328 -10.907 1.00 0.00 C ATOM 2061 SD MET C 609 4.535 16.252 -12.347 1.00 0.00 S ATOM 2062 CE MET C 609 6.256 15.968 -12.753 1.00 0.00 C ATOM 0 H MET C 609 2.974 16.351 -8.347 1.00 0.00 H new ATOM 0 HA MET C 609 5.623 17.077 -7.633 1.00 0.00 H new ATOM 0 HB2 MET C 609 6.156 16.329 -9.699 1.00 0.00 H new ATOM 0 HB3 MET C 609 4.553 15.627 -9.616 1.00 0.00 H new ATOM 0 HG2 MET C 609 3.752 17.842 -10.735 1.00 0.00 H new ATOM 0 HG3 MET C 609 5.444 18.095 -11.115 1.00 0.00 H new ATOM 0 HE1 MET C 609 6.322 15.318 -13.625 1.00 0.00 H new ATOM 0 HE2 MET C 609 6.740 16.920 -12.972 1.00 0.00 H new ATOM 0 HE3 MET C 609 6.756 15.493 -11.908 1.00 0.00 H new ATOM 2072 N THR C 610 3.715 19.454 -8.860 1.00 0.00 N ATOM 2073 CA THR C 610 3.659 20.899 -9.079 1.00 0.00 C ATOM 2074 C THR C 610 3.858 21.641 -7.758 1.00 0.00 C ATOM 2075 O THR C 610 4.433 22.729 -7.728 1.00 0.00 O ATOM 2076 CB THR C 610 2.343 21.312 -9.770 1.00 0.00 C ATOM 2077 OG1 THR C 610 2.472 22.607 -10.332 1.00 0.00 O ATOM 2078 CG2 THR C 610 1.109 21.327 -8.874 1.00 0.00 C ATOM 0 H THR C 610 2.821 18.973 -8.955 1.00 0.00 H new ATOM 0 HA THR C 610 4.471 21.177 -9.751 1.00 0.00 H new ATOM 0 HB THR C 610 2.184 20.540 -10.523 1.00 0.00 H new ATOM 0 HG1 THR C 610 1.632 22.859 -10.769 1.00 0.00 H new ATOM 0 HG21 THR C 610 0.240 21.630 -9.457 1.00 0.00 H new ATOM 0 HG22 THR C 610 0.943 20.330 -8.467 1.00 0.00 H new ATOM 0 HG23 THR C 610 1.261 22.032 -8.057 1.00 0.00 H new ATOM 2086 N GLU C 611 3.407 21.033 -6.666 1.00 0.00 N ATOM 2087 CA GLU C 611 3.566 21.629 -5.342 1.00 0.00 C ATOM 2088 C GLU C 611 5.048 21.679 -4.969 1.00 0.00 C ATOM 2089 O GLU C 611 5.481 22.500 -4.161 1.00 0.00 O ATOM 2090 CB GLU C 611 2.788 20.826 -4.298 1.00 0.00 C ATOM 2091 CG GLU C 611 1.283 20.854 -4.507 1.00 0.00 C ATOM 2092 CD GLU C 611 0.676 22.208 -4.191 1.00 0.00 C ATOM 2093 OE1 GLU C 611 0.837 23.136 -5.011 1.00 0.00 O ATOM 2094 OE2 GLU C 611 0.043 22.340 -3.123 1.00 0.00 O ATOM 0 H GLU C 611 2.930 20.131 -6.670 1.00 0.00 H new ATOM 0 HA GLU C 611 3.169 22.644 -5.365 1.00 0.00 H new ATOM 0 HB2 GLU C 611 3.130 19.791 -4.319 1.00 0.00 H new ATOM 0 HB3 GLU C 611 3.016 21.217 -3.307 1.00 0.00 H new ATOM 0 HG2 GLU C 611 1.058 20.591 -5.541 1.00 0.00 H new ATOM 0 HG3 GLU C 611 0.818 20.095 -3.877 1.00 0.00 H new ATOM 2101 N LEU C 612 5.811 20.772 -5.578 1.00 0.00 N ATOM 2102 CA LEU C 612 7.248 20.665 -5.342 1.00 0.00 C ATOM 2103 C LEU C 612 8.024 21.575 -6.293 1.00 0.00 C ATOM 2104 O LEU C 612 8.957 22.264 -5.882 1.00 0.00 O ATOM 2105 CB LEU C 612 7.701 19.205 -5.503 1.00 0.00 C ATOM 2106 CG LEU C 612 8.492 18.631 -4.316 1.00 0.00 C ATOM 2107 CD1 LEU C 612 8.486 17.104 -4.351 1.00 0.00 C ATOM 2108 CD2 LEU C 612 9.924 19.176 -4.296 1.00 0.00 C ATOM 0 H LEU C 612 5.450 20.092 -6.247 1.00 0.00 H new ATOM 0 HA LEU C 612 7.456 20.988 -4.322 1.00 0.00 H new ATOM 0 HB2 LEU C 612 6.820 18.584 -5.667 1.00 0.00 H new ATOM 0 HB3 LEU C 612 8.316 19.129 -6.400 1.00 0.00 H new ATOM 0 HG LEU C 612 8.002 18.950 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU C 612 9.051 16.718 -3.502 1.00 0.00 H new ATOM 0 HD12 LEU C 612 7.459 16.743 -4.297 1.00 0.00 H new ATOM 0 HD13 LEU C 612 8.944 16.760 -5.278 1.00 0.00 H new ATOM 0 HD21 LEU C 612 10.462 18.754 -3.447 1.00 0.00 H new ATOM 0 HD22 LEU C 612 10.431 18.900 -5.220 1.00 0.00 H new ATOM 0 HD23 LEU C 612 9.899 20.262 -4.207 1.00 0.00 H new ATOM 2120 N GLN C 613 7.632 21.572 -7.561 1.00 0.00 N ATOM 2121 CA GLN C 613 8.294 22.398 -8.564 1.00 0.00 C ATOM 2122 C GLN C 613 8.220 23.878 -8.191 1.00 0.00 C ATOM 2123 O GLN C 613 9.008 24.687 -8.682 1.00 0.00 O ATOM 2124 CB GLN C 613 7.665 22.169 -9.943 1.00 0.00 C ATOM 2125 CG GLN C 613 8.082 20.857 -10.589 1.00 0.00 C ATOM 2126 CD GLN C 613 7.721 20.788 -12.060 1.00 0.00 C ATOM 2127 OE1 GLN C 613 6.656 20.290 -12.428 1.00 0.00 O ATOM 2128 NE2 GLN C 613 8.608 21.291 -12.910 1.00 0.00 N ATOM 0 H GLN C 613 6.861 21.008 -7.919 1.00 0.00 H new ATOM 0 HA GLN C 613 9.344 22.107 -8.601 1.00 0.00 H new ATOM 0 HB2 GLN C 613 6.579 22.188 -9.846 1.00 0.00 H new ATOM 0 HB3 GLN C 613 7.941 22.993 -10.601 1.00 0.00 H new ATOM 0 HG2 GLN C 613 9.158 20.728 -10.477 1.00 0.00 H new ATOM 0 HG3 GLN C 613 7.605 20.030 -10.063 1.00 0.00 H new ATOM 0 HE21 GLN C 613 9.478 21.694 -12.561 1.00 0.00 H new ATOM 0 HE22 GLN C 613 8.420 21.275 -13.912 1.00 0.00 H new