USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=16 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 Single : A 4 GLN : amide:sc= -0.0797 X(o=-0.08,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.414 K(o=-0.41,f=-0.99) USER MOD Single : A 16 TYR OH : rot 31:sc= 0.767 USER MOD Single : A 17 THR OG1 : rot 82:sc= 0.895 USER MOD Single : A 23 GLN :FLIP amide:sc= -1.89! C(o=-2.7!,f=-1.9!) USER MOD Single : A 24 GLN : amide:sc= 0.00253 K(o=0.0025,f=-0.8) USER MOD Single : A 35 TYR OH : rot 15:sc= -2.1 USER MOD Single : A 37 THR OG1 : rot 86:sc= -0.809! USER MOD Single : B 10 THR OG1 : rot 170:sc= -0.424 USER MOD Single : B 14 GLN :FLIP amide:sc= -0.731! C(o=-3.6!,f=-0.73!) USER MOD Single : B 16 TYR OH : rot 109:sc= 0.786 USER MOD Single : B 17 THR OG1 : rot 180:sc= 0.0132 USER MOD Single : B 23 GLN : amide:sc= -1.04 K(o=-1,f=-2.2!) USER MOD Single : B 24 GLN : amide:sc= -0.941 K(o=-0.94,f=-6!) USER MOD Single : B 35 TYR OH : rot 180:sc= 0 USER MOD Single : B 37 THR OG1 : rot 47:sc= -2.34! 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 :FLIP amide:sc=-0.00947 F(o=-0.76,f=-0.0095) USER MOD Single : C 605 LYS NZ :NH3+ -115:sc= -0.19 (180deg=-1.12) USER MOD Single : C 607 GLN :FLIP amide:sc= -0.0601 F(o=-2.3!,f=-0.06) USER MOD Single : C 609 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 610 THR OG1 : rot 57:sc= 0.441 USER MOD Single : C 613 GLN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N GLN A 4 -18.232 7.293 -8.700 1.00 0.00 N ATOM 121 CA GLN A 4 -17.842 8.694 -8.827 1.00 0.00 C ATOM 122 C GLN A 4 -16.653 9.022 -7.932 1.00 0.00 C ATOM 123 O GLN A 4 -16.761 8.949 -6.708 1.00 0.00 O ATOM 124 CB GLN A 4 -19.023 9.608 -8.490 1.00 0.00 C ATOM 125 CG GLN A 4 -19.538 9.451 -7.066 1.00 0.00 C ATOM 126 CD GLN A 4 -20.955 9.969 -6.894 1.00 0.00 C ATOM 127 OE1 GLN A 4 -21.789 9.328 -6.255 1.00 0.00 O ATOM 128 NE2 GLN A 4 -21.232 11.136 -7.466 1.00 0.00 N ATOM 0 HA GLN A 4 -17.543 8.865 -9.861 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -18.723 10.644 -8.645 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -19.838 9.404 -9.185 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -19.504 8.398 -6.786 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -18.876 9.984 -6.384 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -20.509 11.633 -7.987 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -22.167 11.535 -7.384 1.00 0.00 H new ATOM 137 N ILE A 5 -15.524 9.391 -8.540 1.00 0.00 N ATOM 138 CA ILE A 5 -14.320 9.738 -7.782 1.00 0.00 C ATOM 139 C ILE A 5 -14.683 10.537 -6.521 1.00 0.00 C ATOM 140 O ILE A 5 -14.953 11.735 -6.595 1.00 0.00 O ATOM 141 CB ILE A 5 -13.329 10.553 -8.648 1.00 0.00 C ATOM 142 CG1 ILE A 5 -12.882 9.740 -9.872 1.00 0.00 C ATOM 143 CG2 ILE A 5 -12.116 10.972 -7.827 1.00 0.00 C ATOM 144 CD1 ILE A 5 -12.315 8.378 -9.528 1.00 0.00 C ATOM 0 H ILE A 5 -15.418 9.457 -9.552 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.838 8.806 -7.487 1.00 0.00 H new ATOM 0 HB ILE A 5 -13.843 11.450 -8.994 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -13.733 9.611 -10.541 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -12.130 10.309 -10.419 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.432 11.544 -8.454 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -12.440 11.588 -6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -11.607 10.085 -7.451 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -12.022 7.864 -10.443 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -11.444 8.499 -8.884 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.071 7.790 -9.008 1.00 0.00 H new ATOM 156 N PRO A 6 -14.711 9.875 -5.341 1.00 0.00 N ATOM 157 CA PRO A 6 -15.063 10.530 -4.074 1.00 0.00 C ATOM 158 C PRO A 6 -14.302 11.838 -3.841 1.00 0.00 C ATOM 159 O PRO A 6 -13.093 11.819 -3.619 1.00 0.00 O ATOM 160 CB PRO A 6 -14.666 9.486 -3.024 1.00 0.00 C ATOM 161 CG PRO A 6 -14.825 8.184 -3.721 1.00 0.00 C ATOM 162 CD PRO A 6 -14.416 8.436 -5.147 1.00 0.00 C ATOM 0 HA PRO A 6 -16.114 10.818 -4.047 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.640 9.633 -2.685 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -15.305 9.546 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.201 7.416 -3.264 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -15.855 7.833 -3.665 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.360 8.217 -5.307 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -14.979 7.813 -5.842 1.00 0.00 H new ATOM 170 N PRO A 7 -14.990 12.997 -3.879 1.00 0.00 N ATOM 171 CA PRO A 7 -14.343 14.293 -3.655 1.00 0.00 C ATOM 172 C PRO A 7 -13.498 14.301 -2.381 1.00 0.00 C ATOM 173 O PRO A 7 -13.865 13.680 -1.383 1.00 0.00 O ATOM 174 CB PRO A 7 -15.524 15.263 -3.527 1.00 0.00 C ATOM 175 CG PRO A 7 -16.617 14.626 -4.310 1.00 0.00 C ATOM 176 CD PRO A 7 -16.439 13.141 -4.135 1.00 0.00 C ATOM 0 HA PRO A 7 -13.652 14.552 -4.457 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -15.812 15.402 -2.485 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -15.274 16.247 -3.923 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -17.594 14.947 -3.949 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -16.558 14.905 -5.362 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -17.033 12.760 -3.304 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -16.746 12.592 -5.025 1.00 0.00 H new ATOM 184 N GLY A 8 -12.373 15.011 -2.412 1.00 0.00 N ATOM 185 CA GLY A 8 -11.508 15.086 -1.242 1.00 0.00 C ATOM 186 C GLY A 8 -10.481 13.967 -1.182 1.00 0.00 C ATOM 187 O GLY A 8 -9.418 14.132 -0.587 1.00 0.00 O ATOM 0 H GLY A 8 -12.044 15.535 -3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.991 16.045 -1.242 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.122 15.055 -0.342 1.00 0.00 H new ATOM 191 N LEU A 9 -10.791 12.829 -1.796 1.00 0.00 N ATOM 192 CA LEU A 9 -9.875 11.690 -1.802 1.00 0.00 C ATOM 193 C LEU A 9 -8.519 12.095 -2.366 1.00 0.00 C ATOM 194 O LEU A 9 -7.474 11.713 -1.841 1.00 0.00 O ATOM 195 CB LEU A 9 -10.474 10.535 -2.618 1.00 0.00 C ATOM 196 CG LEU A 9 -9.987 9.131 -2.245 1.00 0.00 C ATOM 197 CD1 LEU A 9 -10.546 8.103 -3.222 1.00 0.00 C ATOM 198 CD2 LEU A 9 -8.466 9.074 -2.214 1.00 0.00 C ATOM 0 H LEU A 9 -11.666 12.670 -2.295 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.730 11.355 -0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.558 10.563 -2.510 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.254 10.707 -3.672 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.351 8.894 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.193 7.109 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.635 8.123 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.210 8.340 -4.231 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.145 8.067 -1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.072 9.332 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.090 9.782 -1.476 1.00 0.00 H new ATOM 210 N THR A 10 -8.543 12.865 -3.444 1.00 0.00 N ATOM 211 CA THR A 10 -7.314 13.309 -4.082 1.00 0.00 C ATOM 212 C THR A 10 -6.421 14.075 -3.111 1.00 0.00 C ATOM 213 O THR A 10 -5.205 13.886 -3.096 1.00 0.00 O ATOM 214 CB THR A 10 -7.626 14.181 -5.297 1.00 0.00 C ATOM 215 OG1 THR A 10 -8.440 13.476 -6.221 1.00 0.00 O ATOM 216 CG2 THR A 10 -6.384 14.652 -6.038 1.00 0.00 C ATOM 0 H THR A 10 -9.397 13.194 -3.894 1.00 0.00 H new ATOM 0 HA THR A 10 -6.776 12.419 -4.407 1.00 0.00 H new ATOM 0 HB THR A 10 -8.142 15.056 -4.901 1.00 0.00 H new ATOM 0 HG1 THR A 10 -8.632 14.050 -6.992 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.679 15.266 -6.889 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.760 15.240 -5.365 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.822 13.788 -6.392 1.00 0.00 H new ATOM 224 N GLU A 11 -7.024 14.944 -2.308 1.00 0.00 N ATOM 225 CA GLU A 11 -6.267 15.738 -1.346 1.00 0.00 C ATOM 226 C GLU A 11 -5.616 14.846 -0.287 1.00 0.00 C ATOM 227 O GLU A 11 -4.562 15.180 0.252 1.00 0.00 O ATOM 228 CB GLU A 11 -7.169 16.805 -0.694 1.00 0.00 C ATOM 229 CG GLU A 11 -7.642 16.463 0.713 1.00 0.00 C ATOM 230 CD GLU A 11 -8.744 17.384 1.201 1.00 0.00 C ATOM 231 OE1 GLU A 11 -9.562 17.825 0.366 1.00 0.00 O ATOM 232 OE2 GLU A 11 -8.789 17.664 2.418 1.00 0.00 O ATOM 0 H GLU A 11 -8.029 15.117 -2.303 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.468 16.250 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.626 17.750 -0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.042 16.961 -1.328 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.000 15.434 0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.797 16.519 1.399 1.00 0.00 H new ATOM 239 N LEU A 12 -6.248 13.712 0.009 1.00 0.00 N ATOM 240 CA LEU A 12 -5.719 12.782 1.005 1.00 0.00 C ATOM 241 C LEU A 12 -4.490 12.050 0.472 1.00 0.00 C ATOM 242 O LEU A 12 -3.494 11.886 1.179 1.00 0.00 O ATOM 243 CB LEU A 12 -6.792 11.767 1.429 1.00 0.00 C ATOM 244 CG LEU A 12 -7.546 12.106 2.720 1.00 0.00 C ATOM 245 CD1 LEU A 12 -6.604 12.108 3.922 1.00 0.00 C ATOM 246 CD2 LEU A 12 -8.256 13.446 2.590 1.00 0.00 C ATOM 0 H LEU A 12 -7.123 13.416 -0.424 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.424 13.365 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.516 11.671 0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.318 10.793 1.550 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.297 11.333 2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.166 12.351 4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.151 11.122 4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.822 12.852 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.785 13.669 3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.523 14.229 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.969 13.402 1.767 1.00 0.00 H new ATOM 258 N LEU A 13 -4.571 11.606 -0.781 1.00 0.00 N ATOM 259 CA LEU A 13 -3.465 10.884 -1.407 1.00 0.00 C ATOM 260 C LEU A 13 -2.298 11.819 -1.703 1.00 0.00 C ATOM 261 O LEU A 13 -1.135 11.455 -1.525 1.00 0.00 O ATOM 262 CB LEU A 13 -3.917 10.215 -2.709 1.00 0.00 C ATOM 263 CG LEU A 13 -5.168 9.338 -2.608 1.00 0.00 C ATOM 264 CD1 LEU A 13 -5.664 8.955 -3.999 1.00 0.00 C ATOM 265 CD2 LEU A 13 -4.883 8.092 -1.780 1.00 0.00 C ATOM 0 H LEU A 13 -5.387 11.733 -1.380 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.138 10.118 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.100 10.993 -3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.097 9.603 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.950 9.910 -2.108 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.554 8.332 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.908 9.857 -4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.885 8.402 -4.524 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.784 7.481 -1.720 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.086 7.517 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.575 8.385 -0.776 1.00 0.00 H new ATOM 277 N GLN A 14 -2.616 13.025 -2.168 1.00 0.00 N ATOM 278 CA GLN A 14 -1.596 14.012 -2.502 1.00 0.00 C ATOM 279 C GLN A 14 -0.678 14.276 -1.313 1.00 0.00 C ATOM 280 O GLN A 14 0.538 14.366 -1.473 1.00 0.00 O ATOM 281 CB GLN A 14 -2.255 15.320 -2.966 1.00 0.00 C ATOM 282 CG GLN A 14 -1.427 16.098 -3.976 1.00 0.00 C ATOM 283 CD GLN A 14 -1.945 17.508 -4.195 1.00 0.00 C ATOM 284 OE1 GLN A 14 -2.934 17.715 -4.897 1.00 0.00 O ATOM 285 NE2 GLN A 14 -1.279 18.484 -3.590 1.00 0.00 N ATOM 0 H GLN A 14 -3.574 13.341 -2.322 1.00 0.00 H new ATOM 0 HA GLN A 14 -0.990 13.612 -3.315 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.226 15.091 -3.405 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -2.439 15.952 -2.097 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -0.393 16.144 -3.634 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -1.425 15.564 -4.926 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -0.464 18.266 -3.017 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -1.582 19.452 -3.698 1.00 0.00 H new ATOM 294 N GLY A 15 -1.262 14.386 -0.123 1.00 0.00 N ATOM 295 CA GLY A 15 -0.475 14.629 1.074 1.00 0.00 C ATOM 296 C GLY A 15 0.631 13.607 1.253 1.00 0.00 C ATOM 297 O GLY A 15 1.789 13.963 1.468 1.00 0.00 O ATOM 0 H GLY A 15 -2.267 14.311 0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.040 15.627 1.024 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.129 14.610 1.946 1.00 0.00 H new ATOM 301 N TYR A 16 0.276 12.333 1.146 1.00 0.00 N ATOM 302 CA TYR A 16 1.261 11.267 1.279 1.00 0.00 C ATOM 303 C TYR A 16 2.274 11.363 0.140 1.00 0.00 C ATOM 304 O TYR A 16 3.477 11.199 0.341 1.00 0.00 O ATOM 305 CB TYR A 16 0.572 9.897 1.271 1.00 0.00 C ATOM 306 CG TYR A 16 1.522 8.720 1.152 1.00 0.00 C ATOM 307 CD1 TYR A 16 2.104 8.149 2.280 1.00 0.00 C ATOM 308 CD2 TYR A 16 1.833 8.178 -0.090 1.00 0.00 C ATOM 309 CE1 TYR A 16 2.966 7.070 2.171 1.00 0.00 C ATOM 310 CE2 TYR A 16 2.694 7.103 -0.206 1.00 0.00 C ATOM 311 CZ TYR A 16 3.257 6.553 0.926 1.00 0.00 C ATOM 312 OH TYR A 16 4.114 5.483 0.813 1.00 0.00 O ATOM 0 H TYR A 16 -0.677 12.014 0.969 1.00 0.00 H new ATOM 0 HA TYR A 16 1.782 11.379 2.230 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -0.007 9.790 2.188 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.135 9.864 0.442 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.880 8.554 3.256 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.394 8.604 -0.980 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.408 6.636 3.056 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.925 6.696 -1.179 1.00 0.00 H new ATOM 0 HH TYR A 16 4.039 4.918 1.610 1.00 0.00 H new ATOM 322 N THR A 17 1.763 11.626 -1.059 1.00 0.00 N ATOM 323 CA THR A 17 2.593 11.743 -2.252 1.00 0.00 C ATOM 324 C THR A 17 3.706 12.782 -2.082 1.00 0.00 C ATOM 325 O THR A 17 4.889 12.459 -2.197 1.00 0.00 O ATOM 326 CB THR A 17 1.716 12.102 -3.455 1.00 0.00 C ATOM 327 OG1 THR A 17 0.503 11.373 -3.417 1.00 0.00 O ATOM 328 CG2 THR A 17 2.373 11.824 -4.792 1.00 0.00 C ATOM 0 H THR A 17 0.767 11.763 -1.230 1.00 0.00 H new ATOM 0 HA THR A 17 3.074 10.779 -2.418 1.00 0.00 H new ATOM 0 HB THR A 17 1.544 13.175 -3.375 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.129 11.820 -2.816 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.693 12.103 -5.597 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.291 12.406 -4.874 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.609 10.763 -4.868 1.00 0.00 H new ATOM 336 N VAL A 18 3.317 14.031 -1.819 1.00 0.00 N ATOM 337 CA VAL A 18 4.284 15.118 -1.645 1.00 0.00 C ATOM 338 C VAL A 18 5.308 14.795 -0.563 1.00 0.00 C ATOM 339 O VAL A 18 6.465 15.207 -0.653 1.00 0.00 O ATOM 340 CB VAL A 18 3.597 16.455 -1.286 1.00 0.00 C ATOM 341 CG1 VAL A 18 2.757 16.956 -2.452 1.00 0.00 C ATOM 342 CG2 VAL A 18 2.755 16.317 -0.021 1.00 0.00 C ATOM 0 H VAL A 18 2.342 14.315 -1.722 1.00 0.00 H new ATOM 0 HA VAL A 18 4.789 15.221 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 18 4.374 17.193 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.282 17.898 -2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.396 17.110 -3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.991 16.219 -2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.283 17.273 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.986 15.561 -0.177 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.394 16.019 0.811 1.00 0.00 H new ATOM 352 N GLU A 19 4.882 14.067 0.462 1.00 0.00 N ATOM 353 CA GLU A 19 5.777 13.707 1.555 1.00 0.00 C ATOM 354 C GLU A 19 6.823 12.703 1.089 1.00 0.00 C ATOM 355 O GLU A 19 8.010 12.854 1.374 1.00 0.00 O ATOM 356 CB GLU A 19 4.976 13.145 2.734 1.00 0.00 C ATOM 357 CG GLU A 19 4.180 14.207 3.495 1.00 0.00 C ATOM 358 CD GLU A 19 4.582 14.315 4.955 1.00 0.00 C ATOM 359 OE1 GLU A 19 4.691 13.264 5.622 1.00 0.00 O ATOM 360 OE2 GLU A 19 4.786 15.451 5.432 1.00 0.00 O ATOM 0 H GLU A 19 3.929 13.716 0.559 1.00 0.00 H new ATOM 0 HA GLU A 19 6.296 14.607 1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.289 12.383 2.366 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.660 12.651 3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.321 15.174 3.012 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.118 13.971 3.433 1.00 0.00 H new ATOM 367 N VAL A 20 6.381 11.687 0.356 1.00 0.00 N ATOM 368 CA VAL A 20 7.292 10.677 -0.161 1.00 0.00 C ATOM 369 C VAL A 20 8.226 11.298 -1.195 1.00 0.00 C ATOM 370 O VAL A 20 9.391 10.923 -1.309 1.00 0.00 O ATOM 371 CB VAL A 20 6.526 9.496 -0.799 1.00 0.00 C ATOM 372 CG1 VAL A 20 7.472 8.568 -1.558 1.00 0.00 C ATOM 373 CG2 VAL A 20 5.754 8.731 0.265 1.00 0.00 C ATOM 0 H VAL A 20 5.402 11.543 0.108 1.00 0.00 H new ATOM 0 HA VAL A 20 7.873 10.293 0.677 1.00 0.00 H new ATOM 0 HB VAL A 20 5.815 9.901 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.903 7.747 -1.995 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.971 9.126 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.217 8.167 -0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.219 7.902 -0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.449 8.343 1.010 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.040 9.399 0.747 1.00 0.00 H new ATOM 383 N LEU A 21 7.698 12.263 -1.937 1.00 0.00 N ATOM 384 CA LEU A 21 8.465 12.961 -2.961 1.00 0.00 C ATOM 385 C LEU A 21 9.447 13.939 -2.319 1.00 0.00 C ATOM 386 O LEU A 21 10.564 14.118 -2.804 1.00 0.00 O ATOM 387 CB LEU A 21 7.505 13.706 -3.910 1.00 0.00 C ATOM 388 CG LEU A 21 7.262 13.030 -5.262 1.00 0.00 C ATOM 389 CD1 LEU A 21 6.878 11.564 -5.076 1.00 0.00 C ATOM 390 CD2 LEU A 21 6.184 13.774 -6.038 1.00 0.00 C ATOM 0 H LEU A 21 6.733 12.582 -1.847 1.00 0.00 H new ATOM 0 HA LEU A 21 9.037 12.232 -3.535 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.546 13.828 -3.407 1.00 0.00 H new ATOM 0 HB3 LEU A 21 7.901 14.706 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 21 8.189 13.065 -5.835 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.710 11.105 -6.050 1.00 0.00 H new ATOM 0 HD12 LEU A 21 7.683 11.039 -4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.966 11.499 -4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.021 13.283 -6.997 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.256 13.770 -5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.502 14.803 -6.207 1.00 0.00 H new ATOM 402 N ARG A 22 9.018 14.577 -1.238 1.00 0.00 N ATOM 403 CA ARG A 22 9.849 15.545 -0.536 1.00 0.00 C ATOM 404 C ARG A 22 10.774 14.873 0.481 1.00 0.00 C ATOM 405 O ARG A 22 11.797 15.442 0.860 1.00 0.00 O ATOM 406 CB ARG A 22 8.956 16.575 0.158 1.00 0.00 C ATOM 407 CG ARG A 22 9.718 17.613 0.977 1.00 0.00 C ATOM 408 CD ARG A 22 9.720 17.270 2.456 1.00 0.00 C ATOM 409 NE ARG A 22 8.367 17.217 3.006 1.00 0.00 N ATOM 410 CZ ARG A 22 8.097 17.136 4.307 1.00 0.00 C ATOM 411 NH1 ARG A 22 9.082 17.086 5.197 1.00 0.00 N ATOM 412 NH2 ARG A 22 6.839 17.099 4.721 1.00 0.00 N ATOM 0 H ARG A 22 8.095 14.440 -0.827 1.00 0.00 H new ATOM 0 HA ARG A 22 10.483 16.042 -1.270 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.360 17.090 -0.596 1.00 0.00 H new ATOM 0 HB3 ARG A 22 8.259 16.052 0.813 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.745 17.678 0.617 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.266 18.594 0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.210 16.308 2.605 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.304 18.012 3.000 1.00 0.00 H new ATOM 0 HE ARG A 22 7.583 17.244 2.354 1.00 0.00 H new ATOM 0 HH11 ARG A 22 10.053 17.110 4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.867 17.024 6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.078 17.133 4.043 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.632 17.037 5.718 1.00 0.00 H new ATOM 426 N GLN A 23 10.404 13.672 0.935 1.00 0.00 N ATOM 427 CA GLN A 23 11.200 12.944 1.928 1.00 0.00 C ATOM 428 C GLN A 23 11.849 11.698 1.327 1.00 0.00 C ATOM 429 O GLN A 23 13.055 11.494 1.463 1.00 0.00 O ATOM 430 CB GLN A 23 10.316 12.549 3.119 1.00 0.00 C ATOM 431 CG GLN A 23 11.087 12.344 4.413 1.00 0.00 C ATOM 432 CD GLN A 23 12.241 11.371 4.259 1.00 0.00 C ATOM 433 OE1 GLN A 23 13.432 11.902 4.009 1.00 0.00 O flip ATOM 434 NE2 GLN A 23 12.063 10.158 4.363 1.00 0.00 N flip ATOM 0 H GLN A 23 9.561 13.184 0.632 1.00 0.00 H new ATOM 0 HA GLN A 23 11.997 13.606 2.266 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.564 13.323 3.274 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.783 11.630 2.875 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.470 13.304 4.759 1.00 0.00 H new ATOM 0 HG3 GLN A 23 10.407 11.976 5.182 1.00 0.00 H new ATOM 0 HE21 GLN A 23 11.130 9.794 4.556 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.849 9.516 4.256 1.00 0.00 H new ATOM 443 N GLN A 24 11.041 10.866 0.676 1.00 0.00 N ATOM 444 CA GLN A 24 11.536 9.635 0.066 1.00 0.00 C ATOM 445 C GLN A 24 12.035 8.662 1.140 1.00 0.00 C ATOM 446 O GLN A 24 13.197 8.717 1.542 1.00 0.00 O ATOM 447 CB GLN A 24 12.658 9.937 -0.934 1.00 0.00 C ATOM 448 CG GLN A 24 12.332 11.076 -1.887 1.00 0.00 C ATOM 449 CD GLN A 24 13.491 11.418 -2.803 1.00 0.00 C ATOM 450 OE1 GLN A 24 14.550 10.795 -2.741 1.00 0.00 O ATOM 451 NE2 GLN A 24 13.296 12.415 -3.659 1.00 0.00 N ATOM 0 H GLN A 24 10.040 11.022 0.557 1.00 0.00 H new ATOM 0 HA GLN A 24 10.709 9.169 -0.470 1.00 0.00 H new ATOM 0 HB2 GLN A 24 13.567 10.183 -0.385 1.00 0.00 H new ATOM 0 HB3 GLN A 24 12.869 9.038 -1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 24 11.465 10.804 -2.489 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.056 11.959 -1.311 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.401 12.905 -3.676 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.041 12.691 -4.299 1.00 0.00 H new ATOM 460 N PRO A 25 11.157 7.764 1.634 1.00 0.00 N ATOM 461 CA PRO A 25 11.505 6.794 2.670 1.00 0.00 C ATOM 462 C PRO A 25 11.974 5.457 2.094 1.00 0.00 C ATOM 463 O PRO A 25 11.913 5.245 0.882 1.00 0.00 O ATOM 464 CB PRO A 25 10.169 6.630 3.388 1.00 0.00 C ATOM 465 CG PRO A 25 9.161 6.704 2.289 1.00 0.00 C ATOM 466 CD PRO A 25 9.744 7.624 1.235 1.00 0.00 C ATOM 0 HA PRO A 25 12.332 7.120 3.300 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.114 5.679 3.918 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.013 7.416 4.127 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.964 5.715 1.875 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.211 7.090 2.659 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.651 7.198 0.236 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.235 8.588 1.219 1.00 0.00 H new ATOM 474 N PRO A 26 12.443 4.528 2.953 1.00 0.00 N ATOM 475 CA PRO A 26 12.910 3.214 2.510 1.00 0.00 C ATOM 476 C PRO A 26 11.751 2.294 2.127 1.00 0.00 C ATOM 477 O PRO A 26 11.891 1.440 1.253 1.00 0.00 O ATOM 478 CB PRO A 26 13.666 2.653 3.736 1.00 0.00 C ATOM 479 CG PRO A 26 13.723 3.773 4.727 1.00 0.00 C ATOM 480 CD PRO A 26 12.558 4.666 4.413 1.00 0.00 C ATOM 0 HA PRO A 26 13.531 3.285 1.617 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.149 1.788 4.152 1.00 0.00 H new ATOM 0 HB3 PRO A 26 14.668 2.323 3.460 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.660 3.394 5.747 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.664 4.317 4.647 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.650 4.346 4.925 1.00 0.00 H new ATOM 0 HD3 PRO A 26 12.744 5.698 4.711 1.00 0.00 H new ATOM 488 N ASP A 27 10.606 2.477 2.792 1.00 0.00 N ATOM 489 CA ASP A 27 9.419 1.665 2.530 1.00 0.00 C ATOM 490 C ASP A 27 8.183 2.544 2.381 1.00 0.00 C ATOM 491 O ASP A 27 7.980 3.488 3.144 1.00 0.00 O ATOM 492 CB ASP A 27 9.212 0.648 3.656 1.00 0.00 C ATOM 493 CG ASP A 27 10.225 -0.479 3.612 1.00 0.00 C ATOM 494 OD1 ASP A 27 10.098 -1.357 2.733 1.00 0.00 O ATOM 495 OD2 ASP A 27 11.146 -0.482 4.454 1.00 0.00 O ATOM 0 H ASP A 27 10.478 3.183 3.517 1.00 0.00 H new ATOM 0 HA ASP A 27 9.573 1.128 1.594 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.280 1.156 4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.207 0.232 3.586 1.00 0.00 H new ATOM 500 N LEU A 28 7.363 2.222 1.389 1.00 0.00 N ATOM 501 CA LEU A 28 6.142 2.972 1.121 1.00 0.00 C ATOM 502 C LEU A 28 5.032 2.574 2.089 1.00 0.00 C ATOM 503 O LEU A 28 4.434 3.426 2.746 1.00 0.00 O ATOM 504 CB LEU A 28 5.686 2.733 -0.319 1.00 0.00 C ATOM 505 CG LEU A 28 6.760 2.980 -1.386 1.00 0.00 C ATOM 506 CD1 LEU A 28 6.382 2.299 -2.694 1.00 0.00 C ATOM 507 CD2 LEU A 28 6.968 4.474 -1.596 1.00 0.00 C ATOM 0 H LEU A 28 7.523 1.441 0.753 1.00 0.00 H new ATOM 0 HA LEU A 28 6.356 4.032 1.261 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.336 1.705 -0.408 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.833 3.379 -0.527 1.00 0.00 H new ATOM 0 HG LEU A 28 7.699 2.549 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.156 2.486 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.287 1.225 -2.531 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.432 2.698 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.733 4.632 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.033 4.929 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.287 4.932 -0.660 1.00 0.00 H new ATOM 519 N VAL A 29 4.764 1.274 2.172 1.00 0.00 N ATOM 520 CA VAL A 29 3.726 0.764 3.063 1.00 0.00 C ATOM 521 C VAL A 29 3.967 1.223 4.496 1.00 0.00 C ATOM 522 O VAL A 29 3.029 1.559 5.220 1.00 0.00 O ATOM 523 CB VAL A 29 3.656 -0.777 3.024 1.00 0.00 C ATOM 524 CG1 VAL A 29 4.957 -1.391 3.523 1.00 0.00 C ATOM 525 CG2 VAL A 29 2.473 -1.281 3.841 1.00 0.00 C ATOM 0 H VAL A 29 5.250 0.556 1.635 1.00 0.00 H new ATOM 0 HA VAL A 29 2.776 1.166 2.711 1.00 0.00 H new ATOM 0 HB VAL A 29 3.512 -1.085 1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.884 -2.478 3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.781 -1.061 2.890 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.139 -1.074 4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.441 -2.370 3.801 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.582 -0.959 4.877 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.548 -0.875 3.431 1.00 0.00 H new ATOM 535 N GLU A 30 5.234 1.240 4.893 1.00 0.00 N ATOM 536 CA GLU A 30 5.611 1.667 6.235 1.00 0.00 C ATOM 537 C GLU A 30 5.336 3.153 6.418 1.00 0.00 C ATOM 538 O GLU A 30 4.655 3.560 7.360 1.00 0.00 O ATOM 539 CB GLU A 30 7.094 1.369 6.483 1.00 0.00 C ATOM 540 CG GLU A 30 7.499 1.406 7.954 1.00 0.00 C ATOM 541 CD GLU A 30 7.932 2.787 8.411 1.00 0.00 C ATOM 542 OE1 GLU A 30 7.085 3.705 8.416 1.00 0.00 O ATOM 543 OE2 GLU A 30 9.119 2.950 8.763 1.00 0.00 O ATOM 0 H GLU A 30 6.019 0.963 4.304 1.00 0.00 H new ATOM 0 HA GLU A 30 5.013 1.113 6.958 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.329 0.385 6.077 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.696 2.092 5.933 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.660 1.072 8.565 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.314 0.702 8.119 1.00 0.00 H new ATOM 550 N PHE A 31 5.872 3.958 5.511 1.00 0.00 N ATOM 551 CA PHE A 31 5.690 5.402 5.565 1.00 0.00 C ATOM 552 C PHE A 31 4.214 5.784 5.523 1.00 0.00 C ATOM 553 O PHE A 31 3.818 6.821 6.055 1.00 0.00 O ATOM 554 CB PHE A 31 6.437 6.065 4.414 1.00 0.00 C ATOM 555 CG PHE A 31 6.525 7.557 4.550 1.00 0.00 C ATOM 556 CD1 PHE A 31 7.322 8.127 5.527 1.00 0.00 C ATOM 557 CD2 PHE A 31 5.810 8.387 3.703 1.00 0.00 C ATOM 558 CE1 PHE A 31 7.406 9.500 5.659 1.00 0.00 C ATOM 559 CE2 PHE A 31 5.890 9.760 3.829 1.00 0.00 C ATOM 560 CZ PHE A 31 6.689 10.317 4.809 1.00 0.00 C ATOM 0 H PHE A 31 6.438 3.634 4.727 1.00 0.00 H new ATOM 0 HA PHE A 31 6.097 5.755 6.512 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.444 5.652 4.356 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.938 5.821 3.476 1.00 0.00 H new ATOM 0 HD1 PHE A 31 7.885 7.491 6.194 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.183 7.956 2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 31 8.031 9.933 6.426 1.00 0.00 H new ATOM 0 HE2 PHE A 31 5.329 10.398 3.162 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.752 11.390 4.910 1.00 0.00 H new ATOM 570 N ALA A 32 3.403 4.947 4.890 1.00 0.00 N ATOM 571 CA ALA A 32 1.971 5.206 4.784 1.00 0.00 C ATOM 572 C ALA A 32 1.298 5.140 6.148 1.00 0.00 C ATOM 573 O ALA A 32 0.474 5.991 6.481 1.00 0.00 O ATOM 574 CB ALA A 32 1.343 4.235 3.805 1.00 0.00 C ATOM 0 H ALA A 32 3.710 4.084 4.442 1.00 0.00 H new ATOM 0 HA ALA A 32 1.824 6.218 4.405 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.274 4.434 3.731 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.804 4.357 2.825 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.499 3.214 4.154 1.00 0.00 H new ATOM 580 N VAL A 33 1.677 4.156 6.955 1.00 0.00 N ATOM 581 CA VAL A 33 1.121 4.034 8.302 1.00 0.00 C ATOM 582 C VAL A 33 1.604 5.227 9.121 1.00 0.00 C ATOM 583 O VAL A 33 0.797 6.018 9.606 1.00 0.00 O ATOM 584 CB VAL A 33 1.545 2.714 9.013 1.00 0.00 C ATOM 585 CG1 VAL A 33 0.407 2.185 9.870 1.00 0.00 C ATOM 586 CG2 VAL A 33 1.988 1.647 8.013 1.00 0.00 C ATOM 0 H VAL A 33 2.358 3.438 6.707 1.00 0.00 H new ATOM 0 HA VAL A 33 0.034 4.014 8.221 1.00 0.00 H new ATOM 0 HB VAL A 33 2.398 2.946 9.651 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.719 1.263 10.360 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.145 2.926 10.625 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.460 1.986 9.241 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.275 0.743 8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.166 1.421 7.334 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.839 2.016 7.441 1.00 0.00 H new ATOM 596 N GLU A 34 2.914 5.371 9.262 1.00 0.00 N ATOM 597 CA GLU A 34 3.469 6.487 10.019 1.00 0.00 C ATOM 598 C GLU A 34 2.849 7.811 9.574 1.00 0.00 C ATOM 599 O GLU A 34 2.686 8.732 10.374 1.00 0.00 O ATOM 600 CB GLU A 34 4.990 6.538 9.856 1.00 0.00 C ATOM 601 CG GLU A 34 5.712 5.381 10.529 1.00 0.00 C ATOM 602 CD GLU A 34 7.220 5.547 10.507 1.00 0.00 C ATOM 603 OE1 GLU A 34 7.749 6.039 9.489 1.00 0.00 O ATOM 604 OE2 GLU A 34 7.871 5.183 11.509 1.00 0.00 O ATOM 0 H GLU A 34 3.608 4.736 8.867 1.00 0.00 H new ATOM 0 HA GLU A 34 3.231 6.333 11.071 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.234 6.539 8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.360 7.476 10.269 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.374 5.297 11.562 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.445 4.450 10.029 1.00 0.00 H new ATOM 611 N TYR A 35 2.507 7.900 8.291 1.00 0.00 N ATOM 612 CA TYR A 35 1.907 9.111 7.736 1.00 0.00 C ATOM 613 C TYR A 35 0.417 9.224 8.067 1.00 0.00 C ATOM 614 O TYR A 35 -0.042 10.277 8.503 1.00 0.00 O ATOM 615 CB TYR A 35 2.100 9.162 6.218 1.00 0.00 C ATOM 616 CG TYR A 35 1.522 10.411 5.584 1.00 0.00 C ATOM 617 CD1 TYR A 35 2.105 11.655 5.801 1.00 0.00 C ATOM 618 CD2 TYR A 35 0.390 10.351 4.777 1.00 0.00 C ATOM 619 CE1 TYR A 35 1.579 12.800 5.233 1.00 0.00 C ATOM 620 CE2 TYR A 35 -0.141 11.494 4.208 1.00 0.00 C ATOM 621 CZ TYR A 35 0.459 12.714 4.439 1.00 0.00 C ATOM 622 OH TYR A 35 -0.068 13.853 3.877 1.00 0.00 O ATOM 0 H TYR A 35 2.635 7.147 7.615 1.00 0.00 H new ATOM 0 HA TYR A 35 2.418 9.955 8.199 1.00 0.00 H new ATOM 0 HB2 TYR A 35 3.165 9.107 5.992 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.633 8.285 5.769 1.00 0.00 H new ATOM 0 HD1 TYR A 35 2.984 11.728 6.424 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -0.081 9.397 4.592 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.045 13.758 5.412 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.021 11.432 3.586 1.00 0.00 H new ATOM 0 HH TYR A 35 0.586 14.580 3.937 1.00 0.00 H new ATOM 632 N PHE A 36 -0.339 8.150 7.834 1.00 0.00 N ATOM 633 CA PHE A 36 -1.781 8.158 8.084 1.00 0.00 C ATOM 634 C PHE A 36 -2.114 8.121 9.577 1.00 0.00 C ATOM 635 O PHE A 36 -2.915 8.923 10.057 1.00 0.00 O ATOM 636 CB PHE A 36 -2.446 6.975 7.364 1.00 0.00 C ATOM 637 CG PHE A 36 -2.846 7.283 5.944 1.00 0.00 C ATOM 638 CD1 PHE A 36 -3.845 8.208 5.685 1.00 0.00 C ATOM 639 CD2 PHE A 36 -2.231 6.651 4.872 1.00 0.00 C ATOM 640 CE1 PHE A 36 -4.222 8.499 4.388 1.00 0.00 C ATOM 641 CE2 PHE A 36 -2.606 6.939 3.572 1.00 0.00 C ATOM 642 CZ PHE A 36 -3.602 7.864 3.331 1.00 0.00 C ATOM 0 H PHE A 36 0.022 7.267 7.474 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.173 9.095 7.690 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.760 6.128 7.364 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.330 6.670 7.924 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.335 8.708 6.507 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.451 5.927 5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.001 9.223 4.201 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.120 6.441 2.746 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.896 8.090 2.317 1.00 0.00 H new ATOM 652 N THR A 37 -1.524 7.178 10.304 1.00 0.00 N ATOM 653 CA THR A 37 -1.798 7.043 11.734 1.00 0.00 C ATOM 654 C THR A 37 -1.534 8.351 12.484 1.00 0.00 C ATOM 655 O THR A 37 -2.362 8.795 13.279 1.00 0.00 O ATOM 656 CB THR A 37 -0.965 5.896 12.337 1.00 0.00 C ATOM 657 OG1 THR A 37 -0.388 5.107 11.316 1.00 0.00 O ATOM 658 CG2 THR A 37 -1.763 4.959 13.222 1.00 0.00 C ATOM 0 H THR A 37 -0.858 6.500 9.933 1.00 0.00 H new ATOM 0 HA THR A 37 -2.856 6.805 11.847 1.00 0.00 H new ATOM 0 HB THR A 37 -0.209 6.392 12.945 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.461 5.507 11.034 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.108 4.178 13.609 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.190 5.520 14.053 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.565 4.504 12.641 1.00 0.00 H new ATOM 666 N ARG A 38 -0.375 8.954 12.241 1.00 0.00 N ATOM 667 CA ARG A 38 -0.008 10.201 12.910 1.00 0.00 C ATOM 668 C ARG A 38 -0.931 11.353 12.505 1.00 0.00 C ATOM 669 O ARG A 38 -1.185 12.258 13.298 1.00 0.00 O ATOM 670 CB ARG A 38 1.451 10.556 12.597 1.00 0.00 C ATOM 671 CG ARG A 38 2.135 11.383 13.681 1.00 0.00 C ATOM 672 CD ARG A 38 2.618 10.521 14.843 1.00 0.00 C ATOM 673 NE ARG A 38 3.698 9.611 14.450 1.00 0.00 N ATOM 674 CZ ARG A 38 3.529 8.328 14.119 1.00 0.00 C ATOM 675 NH1 ARG A 38 2.318 7.783 14.093 1.00 0.00 N ATOM 676 NH2 ARG A 38 4.582 7.587 13.800 1.00 0.00 N ATOM 0 H ARG A 38 0.326 8.602 11.588 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.121 10.049 13.983 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.014 9.635 12.448 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.486 11.107 11.657 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.982 11.916 13.249 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.441 12.136 14.053 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.965 11.165 15.651 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.782 9.941 15.234 1.00 0.00 H new ATOM 0 HE ARG A 38 4.647 9.984 14.428 1.00 0.00 H new ATOM 0 HH11 ARG A 38 1.500 8.346 14.328 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.206 6.802 13.838 1.00 0.00 H new ATOM 0 HH21 ARG A 38 5.516 7.997 13.808 1.00 0.00 H new ATOM 0 HH22 ARG A 38 4.458 6.607 13.547 1.00 0.00 H new ATOM 690 N LEU A 39 -1.424 11.316 11.272 1.00 0.00 N ATOM 691 CA LEU A 39 -2.313 12.368 10.782 1.00 0.00 C ATOM 692 C LEU A 39 -3.591 12.432 11.618 1.00 0.00 C ATOM 693 O LEU A 39 -3.944 13.482 12.155 1.00 0.00 O ATOM 694 CB LEU A 39 -2.657 12.143 9.303 1.00 0.00 C ATOM 695 CG LEU A 39 -2.940 13.415 8.500 1.00 0.00 C ATOM 696 CD1 LEU A 39 -3.018 13.104 7.013 1.00 0.00 C ATOM 697 CD2 LEU A 39 -4.229 14.072 8.976 1.00 0.00 C ATOM 0 H LEU A 39 -1.227 10.577 10.597 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.791 13.320 10.876 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.831 11.611 8.831 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -3.530 11.493 9.244 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.118 14.112 8.662 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.220 14.021 6.460 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.071 12.680 6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.819 12.388 6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.414 14.975 8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.060 13.379 8.845 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.137 14.333 10.030 1.00 0.00 H new ATOM 709 N ARG A 40 -4.277 11.298 11.720 1.00 0.00 N ATOM 710 CA ARG A 40 -5.518 11.213 12.487 1.00 0.00 C ATOM 711 C ARG A 40 -5.341 11.772 13.899 1.00 0.00 C ATOM 712 O ARG A 40 -6.301 12.224 14.520 1.00 0.00 O ATOM 713 CB ARG A 40 -6.002 9.760 12.543 1.00 0.00 C ATOM 714 CG ARG A 40 -7.483 9.599 12.245 1.00 0.00 C ATOM 715 CD ARG A 40 -7.914 8.162 12.427 1.00 0.00 C ATOM 716 NE ARG A 40 -7.809 7.760 13.819 1.00 0.00 N ATOM 717 CZ ARG A 40 -8.085 6.537 14.264 1.00 0.00 C ATOM 718 NH1 ARG A 40 -8.482 5.592 13.420 1.00 0.00 N ATOM 719 NH2 ARG A 40 -7.963 6.256 15.553 1.00 0.00 N ATOM 0 H ARG A 40 -3.995 10.422 11.280 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.270 11.820 11.983 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -5.430 9.168 11.829 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.793 9.354 13.533 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.063 10.244 12.905 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.690 9.919 11.224 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.942 8.041 12.086 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -7.295 7.512 11.809 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.505 8.459 14.497 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -8.576 5.802 12.426 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.693 4.656 13.765 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.657 6.978 16.206 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.175 5.318 15.893 1.00 0.00 H new ATOM 963 N PRO B 7 8.861 4.041 -8.595 1.00 0.00 N ATOM 964 CA PRO B 7 8.031 2.956 -9.120 1.00 0.00 C ATOM 965 C PRO B 7 7.326 2.160 -8.020 1.00 0.00 C ATOM 966 O PRO B 7 7.854 2.001 -6.919 1.00 0.00 O ATOM 967 CB PRO B 7 9.060 2.086 -9.838 1.00 0.00 C ATOM 968 CG PRO B 7 10.279 2.207 -8.987 1.00 0.00 C ATOM 969 CD PRO B 7 10.268 3.613 -8.432 1.00 0.00 C ATOM 0 HA PRO B 7 7.220 3.318 -9.751 1.00 0.00 H new ATOM 0 HB2 PRO B 7 8.726 1.051 -9.915 1.00 0.00 H new ATOM 0 HB3 PRO B 7 9.244 2.438 -10.853 1.00 0.00 H new ATOM 0 HG2 PRO B 7 10.267 1.471 -8.183 1.00 0.00 H new ATOM 0 HG3 PRO B 7 11.181 2.026 -9.571 1.00 0.00 H new ATOM 0 HD2 PRO B 7 10.575 3.634 -7.386 1.00 0.00 H new ATOM 0 HD3 PRO B 7 10.951 4.265 -8.977 1.00 0.00 H new ATOM 977 N GLY B 8 6.131 1.657 -8.328 1.00 0.00 N ATOM 978 CA GLY B 8 5.375 0.878 -7.358 1.00 0.00 C ATOM 979 C GLY B 8 4.420 1.725 -6.537 1.00 0.00 C ATOM 980 O GLY B 8 3.319 1.288 -6.205 1.00 0.00 O ATOM 0 H GLY B 8 5.673 1.775 -9.232 1.00 0.00 H new ATOM 0 HA2 GLY B 8 4.811 0.106 -7.880 1.00 0.00 H new ATOM 0 HA3 GLY B 8 6.068 0.369 -6.689 1.00 0.00 H new ATOM 984 N LEU B 9 4.846 2.941 -6.208 1.00 0.00 N ATOM 985 CA LEU B 9 4.030 3.860 -5.419 1.00 0.00 C ATOM 986 C LEU B 9 2.648 4.036 -6.041 1.00 0.00 C ATOM 987 O LEU B 9 1.635 3.989 -5.343 1.00 0.00 O ATOM 988 CB LEU B 9 4.741 5.216 -5.303 1.00 0.00 C ATOM 989 CG LEU B 9 4.341 6.073 -4.092 1.00 0.00 C ATOM 990 CD1 LEU B 9 5.443 7.065 -3.749 1.00 0.00 C ATOM 991 CD2 LEU B 9 3.032 6.808 -4.353 1.00 0.00 C ATOM 0 H LEU B 9 5.756 3.315 -6.477 1.00 0.00 H new ATOM 0 HA LEU B 9 3.898 3.438 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU B 9 5.816 5.040 -5.262 1.00 0.00 H new ATOM 0 HB3 LEU B 9 4.546 5.787 -6.210 1.00 0.00 H new ATOM 0 HG LEU B 9 4.196 5.406 -3.242 1.00 0.00 H new ATOM 0 HD11 LEU B 9 5.140 7.662 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU B 9 6.359 6.524 -3.511 1.00 0.00 H new ATOM 0 HD13 LEU B 9 5.621 7.721 -4.601 1.00 0.00 H new ATOM 0 HD21 LEU B 9 2.771 7.407 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU B 9 3.147 7.459 -5.220 1.00 0.00 H new ATOM 0 HD23 LEU B 9 2.240 6.084 -4.546 1.00 0.00 H new ATOM 1003 N THR B 10 2.608 4.228 -7.352 1.00 0.00 N ATOM 1004 CA THR B 10 1.339 4.399 -8.049 1.00 0.00 C ATOM 1005 C THR B 10 0.401 3.228 -7.764 1.00 0.00 C ATOM 1006 O THR B 10 -0.779 3.420 -7.474 1.00 0.00 O ATOM 1007 CB THR B 10 1.566 4.526 -9.557 1.00 0.00 C ATOM 1008 OG1 THR B 10 2.434 5.608 -9.847 1.00 0.00 O ATOM 1009 CG2 THR B 10 0.286 4.742 -10.339 1.00 0.00 C ATOM 0 H THR B 10 3.432 4.269 -7.951 1.00 0.00 H new ATOM 0 HA THR B 10 0.876 5.315 -7.682 1.00 0.00 H new ATOM 0 HB THR B 10 2.005 3.576 -9.863 1.00 0.00 H new ATOM 0 HG1 THR B 10 2.694 5.575 -10.791 1.00 0.00 H new ATOM 0 HG21 THR B 10 0.518 4.824 -11.401 1.00 0.00 H new ATOM 0 HG22 THR B 10 -0.385 3.899 -10.178 1.00 0.00 H new ATOM 0 HG23 THR B 10 -0.196 5.659 -10.001 1.00 0.00 H new ATOM 1017 N GLU B 11 0.943 2.015 -7.849 1.00 0.00 N ATOM 1018 CA GLU B 11 0.170 0.798 -7.608 1.00 0.00 C ATOM 1019 C GLU B 11 -0.355 0.735 -6.174 1.00 0.00 C ATOM 1020 O GLU B 11 -1.429 0.188 -5.925 1.00 0.00 O ATOM 1021 CB GLU B 11 1.028 -0.437 -7.904 1.00 0.00 C ATOM 1022 CG GLU B 11 1.263 -0.673 -9.387 1.00 0.00 C ATOM 1023 CD GLU B 11 2.107 0.414 -10.023 1.00 0.00 C ATOM 1024 OE1 GLU B 11 2.983 0.970 -9.326 1.00 0.00 O ATOM 1025 OE2 GLU B 11 1.894 0.709 -11.217 1.00 0.00 O ATOM 0 H GLU B 11 1.921 1.848 -8.085 1.00 0.00 H new ATOM 0 HA GLU B 11 -0.690 0.815 -8.278 1.00 0.00 H new ATOM 0 HB2 GLU B 11 1.991 -0.328 -7.405 1.00 0.00 H new ATOM 0 HB3 GLU B 11 0.545 -1.316 -7.477 1.00 0.00 H new ATOM 0 HG2 GLU B 11 1.754 -1.636 -9.525 1.00 0.00 H new ATOM 0 HG3 GLU B 11 0.302 -0.729 -9.899 1.00 0.00 H new ATOM 1032 N LEU B 12 0.408 1.279 -5.232 1.00 0.00 N ATOM 1033 CA LEU B 12 0.009 1.259 -3.824 1.00 0.00 C ATOM 1034 C LEU B 12 -1.215 2.143 -3.581 1.00 0.00 C ATOM 1035 O LEU B 12 -2.168 1.726 -2.922 1.00 0.00 O ATOM 1036 CB LEU B 12 1.174 1.707 -2.922 1.00 0.00 C ATOM 1037 CG LEU B 12 1.866 0.587 -2.133 1.00 0.00 C ATOM 1038 CD1 LEU B 12 0.889 -0.094 -1.177 1.00 0.00 C ATOM 1039 CD2 LEU B 12 2.492 -0.429 -3.081 1.00 0.00 C ATOM 0 H LEU B 12 1.301 1.737 -5.413 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.257 0.233 -3.571 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.919 2.206 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.800 2.448 -2.215 1.00 0.00 H new ATOM 0 HG LEU B 12 2.661 1.035 -1.537 1.00 0.00 H new ATOM 0 HD11 LEU B 12 1.405 -0.883 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.499 0.640 -0.472 1.00 0.00 H new ATOM 0 HD13 LEU B 12 0.065 -0.525 -1.745 1.00 0.00 H new ATOM 0 HD21 LEU B 12 2.978 -1.215 -2.503 1.00 0.00 H new ATOM 0 HD22 LEU B 12 1.716 -0.867 -3.709 1.00 0.00 H new ATOM 0 HD23 LEU B 12 3.231 0.068 -3.710 1.00 0.00 H new ATOM 1051 N LEU B 13 -1.182 3.365 -4.101 1.00 0.00 N ATOM 1052 CA LEU B 13 -2.289 4.300 -3.921 1.00 0.00 C ATOM 1053 C LEU B 13 -3.567 3.791 -4.586 1.00 0.00 C ATOM 1054 O LEU B 13 -4.614 3.717 -3.943 1.00 0.00 O ATOM 1055 CB LEU B 13 -1.923 5.677 -4.486 1.00 0.00 C ATOM 1056 CG LEU B 13 -0.708 6.356 -3.834 1.00 0.00 C ATOM 1057 CD1 LEU B 13 -0.159 7.462 -4.730 1.00 0.00 C ATOM 1058 CD2 LEU B 13 -1.074 6.919 -2.467 1.00 0.00 C ATOM 0 H LEU B 13 -0.404 3.731 -4.649 1.00 0.00 H new ATOM 0 HA LEU B 13 -2.474 4.387 -2.850 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -1.730 5.573 -5.554 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -2.786 6.335 -4.380 1.00 0.00 H new ATOM 0 HG LEU B 13 0.067 5.601 -3.702 1.00 0.00 H new ATOM 0 HD11 LEU B 13 0.700 7.928 -4.248 1.00 0.00 H new ATOM 0 HD12 LEU B 13 0.148 7.037 -5.686 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -0.932 8.212 -4.897 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -0.199 7.395 -2.024 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -1.871 7.655 -2.578 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -1.414 6.111 -1.820 1.00 0.00 H new ATOM 1070 N GLN B 14 -3.491 3.455 -5.871 1.00 0.00 N ATOM 1071 CA GLN B 14 -4.672 2.976 -6.586 1.00 0.00 C ATOM 1072 C GLN B 14 -5.256 1.738 -5.910 1.00 0.00 C ATOM 1073 O GLN B 14 -6.468 1.522 -5.943 1.00 0.00 O ATOM 1074 CB GLN B 14 -4.364 2.684 -8.060 1.00 0.00 C ATOM 1075 CG GLN B 14 -3.271 1.646 -8.284 1.00 0.00 C ATOM 1076 CD GLN B 14 -3.598 0.672 -9.399 1.00 0.00 C ATOM 1077 OE1 GLN B 14 -3.719 1.189 -10.615 1.00 0.00 O flip ATOM 1078 NE2 GLN B 14 -3.739 -0.528 -9.169 1.00 0.00 N flip ATOM 0 H GLN B 14 -2.640 3.504 -6.431 1.00 0.00 H new ATOM 0 HA GLN B 14 -5.414 3.774 -6.552 1.00 0.00 H new ATOM 0 HB2 GLN B 14 -5.277 2.343 -8.548 1.00 0.00 H new ATOM 0 HB3 GLN B 14 -4.070 3.613 -8.548 1.00 0.00 H new ATOM 0 HG2 GLN B 14 -2.336 2.156 -8.517 1.00 0.00 H new ATOM 0 HG3 GLN B 14 -3.110 1.091 -7.360 1.00 0.00 H new ATOM 0 HE21 GLN B 14 -3.637 -0.880 -8.217 1.00 0.00 H new ATOM 0 HE22 GLN B 14 -3.958 -1.171 -9.930 1.00 0.00 H new ATOM 1087 N GLY B 15 -4.398 0.932 -5.286 1.00 0.00 N ATOM 1088 CA GLY B 15 -4.867 -0.263 -4.606 1.00 0.00 C ATOM 1089 C GLY B 15 -5.876 0.068 -3.524 1.00 0.00 C ATOM 1090 O GLY B 15 -6.829 -0.679 -3.296 1.00 0.00 O ATOM 0 H GLY B 15 -3.391 1.085 -5.240 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -5.319 -0.940 -5.330 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -4.019 -0.787 -4.165 1.00 0.00 H new ATOM 1094 N TYR B 16 -5.664 1.201 -2.866 1.00 0.00 N ATOM 1095 CA TYR B 16 -6.558 1.662 -1.810 1.00 0.00 C ATOM 1096 C TYR B 16 -7.791 2.317 -2.422 1.00 0.00 C ATOM 1097 O TYR B 16 -8.913 2.103 -1.968 1.00 0.00 O ATOM 1098 CB TYR B 16 -5.821 2.652 -0.900 1.00 0.00 C ATOM 1099 CG TYR B 16 -6.715 3.396 0.075 1.00 0.00 C ATOM 1100 CD1 TYR B 16 -7.185 2.778 1.227 1.00 0.00 C ATOM 1101 CD2 TYR B 16 -7.081 4.720 -0.153 1.00 0.00 C ATOM 1102 CE1 TYR B 16 -7.992 3.453 2.123 1.00 0.00 C ATOM 1103 CE2 TYR B 16 -7.886 5.402 0.742 1.00 0.00 C ATOM 1104 CZ TYR B 16 -8.339 4.764 1.876 1.00 0.00 C ATOM 1105 OH TYR B 16 -9.138 5.440 2.769 1.00 0.00 O ATOM 0 H TYR B 16 -4.875 1.822 -3.047 1.00 0.00 H new ATOM 0 HA TYR B 16 -6.878 0.809 -1.212 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -5.061 2.111 -0.336 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -5.299 3.379 -1.522 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -6.915 1.751 1.426 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -6.731 5.222 -1.043 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -8.349 2.956 3.013 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -8.158 6.430 0.553 1.00 0.00 H new ATOM 0 HH TYR B 16 -8.604 6.112 3.242 1.00 0.00 H new ATOM 1115 N THR B 17 -7.565 3.124 -3.454 1.00 0.00 N ATOM 1116 CA THR B 17 -8.644 3.828 -4.137 1.00 0.00 C ATOM 1117 C THR B 17 -9.717 2.865 -4.651 1.00 0.00 C ATOM 1118 O THR B 17 -10.911 3.120 -4.490 1.00 0.00 O ATOM 1119 CB THR B 17 -8.077 4.655 -5.297 1.00 0.00 C ATOM 1120 OG1 THR B 17 -6.787 5.145 -4.975 1.00 0.00 O ATOM 1121 CG2 THR B 17 -8.936 5.845 -5.665 1.00 0.00 C ATOM 0 H THR B 17 -6.638 3.307 -3.837 1.00 0.00 H new ATOM 0 HA THR B 17 -9.118 4.492 -3.414 1.00 0.00 H new ATOM 0 HB THR B 17 -8.046 3.974 -6.148 1.00 0.00 H new ATOM 0 HG1 THR B 17 -6.439 5.669 -5.727 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.475 6.384 -6.492 1.00 0.00 H new ATOM 0 HG22 THR B 17 -9.926 5.501 -5.963 1.00 0.00 H new ATOM 0 HG23 THR B 17 -9.026 6.508 -4.805 1.00 0.00 H new ATOM 1129 N VAL B 18 -9.298 1.765 -5.275 1.00 0.00 N ATOM 1130 CA VAL B 18 -10.253 0.794 -5.809 1.00 0.00 C ATOM 1131 C VAL B 18 -11.222 0.315 -4.729 1.00 0.00 C ATOM 1132 O VAL B 18 -12.363 -0.043 -5.019 1.00 0.00 O ATOM 1133 CB VAL B 18 -9.559 -0.435 -6.445 1.00 0.00 C ATOM 1134 CG1 VAL B 18 -8.850 -0.048 -7.735 1.00 0.00 C ATOM 1135 CG2 VAL B 18 -8.588 -1.091 -5.473 1.00 0.00 C ATOM 0 H VAL B 18 -8.318 1.525 -5.422 1.00 0.00 H new ATOM 0 HA VAL B 18 -10.804 1.318 -6.590 1.00 0.00 H new ATOM 0 HB VAL B 18 -10.333 -1.164 -6.683 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -8.370 -0.927 -8.164 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -9.576 0.351 -8.444 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -8.096 0.710 -7.523 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -8.119 -1.950 -5.952 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -7.821 -0.372 -5.184 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -9.128 -1.421 -4.586 1.00 0.00 H new ATOM 1145 N GLU B 19 -10.760 0.323 -3.480 1.00 0.00 N ATOM 1146 CA GLU B 19 -11.588 -0.099 -2.353 1.00 0.00 C ATOM 1147 C GLU B 19 -12.551 1.014 -1.948 1.00 0.00 C ATOM 1148 O GLU B 19 -13.746 0.780 -1.769 1.00 0.00 O ATOM 1149 CB GLU B 19 -10.716 -0.505 -1.161 1.00 0.00 C ATOM 1150 CG GLU B 19 -9.963 -1.811 -1.374 1.00 0.00 C ATOM 1151 CD GLU B 19 -9.487 -2.433 -0.074 1.00 0.00 C ATOM 1152 OE1 GLU B 19 -9.516 -1.737 0.962 1.00 0.00 O ATOM 1153 OE2 GLU B 19 -9.089 -3.617 -0.094 1.00 0.00 O ATOM 0 H GLU B 19 -9.818 0.617 -3.223 1.00 0.00 H new ATOM 0 HA GLU B 19 -12.170 -0.966 -2.666 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -9.998 0.290 -0.959 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -11.345 -0.598 -0.276 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -10.610 -2.517 -1.894 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -9.104 -1.629 -2.020 1.00 0.00 H new ATOM 1160 N VAL B 20 -12.025 2.230 -1.815 1.00 0.00 N ATOM 1161 CA VAL B 20 -12.846 3.379 -1.443 1.00 0.00 C ATOM 1162 C VAL B 20 -14.044 3.494 -2.380 1.00 0.00 C ATOM 1163 O VAL B 20 -15.179 3.671 -1.943 1.00 0.00 O ATOM 1164 CB VAL B 20 -12.037 4.698 -1.490 1.00 0.00 C ATOM 1165 CG1 VAL B 20 -12.862 5.864 -0.953 1.00 0.00 C ATOM 1166 CG2 VAL B 20 -10.733 4.560 -0.710 1.00 0.00 C ATOM 0 H VAL B 20 -11.038 2.444 -1.959 1.00 0.00 H new ATOM 0 HA VAL B 20 -13.186 3.219 -0.420 1.00 0.00 H new ATOM 0 HB VAL B 20 -11.794 4.906 -2.532 1.00 0.00 H new ATOM 0 HG11 VAL B 20 -12.271 6.779 -0.997 1.00 0.00 H new ATOM 0 HG12 VAL B 20 -13.761 5.983 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL B 20 -13.145 5.664 0.081 1.00 0.00 H new ATOM 0 HG21 VAL B 20 -10.180 5.498 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL B 20 -10.955 4.320 0.330 1.00 0.00 H new ATOM 0 HG23 VAL B 20 -10.131 3.763 -1.146 1.00 0.00 H new ATOM 1176 N LEU B 21 -13.773 3.392 -3.675 1.00 0.00 N ATOM 1177 CA LEU B 21 -14.816 3.483 -4.688 1.00 0.00 C ATOM 1178 C LEU B 21 -15.878 2.403 -4.483 1.00 0.00 C ATOM 1179 O LEU B 21 -17.075 2.660 -4.615 1.00 0.00 O ATOM 1180 CB LEU B 21 -14.199 3.351 -6.085 1.00 0.00 C ATOM 1181 CG LEU B 21 -13.315 4.534 -6.519 1.00 0.00 C ATOM 1182 CD1 LEU B 21 -12.180 4.063 -7.422 1.00 0.00 C ATOM 1183 CD2 LEU B 21 -14.146 5.606 -7.220 1.00 0.00 C ATOM 0 H LEU B 21 -12.836 3.246 -4.049 1.00 0.00 H new ATOM 0 HA LEU B 21 -15.298 4.456 -4.595 1.00 0.00 H new ATOM 0 HB2 LEU B 21 -13.602 2.440 -6.118 1.00 0.00 H new ATOM 0 HB3 LEU B 21 -15.003 3.232 -6.811 1.00 0.00 H new ATOM 0 HG LEU B 21 -12.878 4.972 -5.621 1.00 0.00 H new ATOM 0 HD11 LEU B 21 -11.570 4.917 -7.715 1.00 0.00 H new ATOM 0 HD12 LEU B 21 -11.562 3.343 -6.885 1.00 0.00 H new ATOM 0 HD13 LEU B 21 -12.595 3.591 -8.313 1.00 0.00 H new ATOM 0 HD21 LEU B 21 -13.499 6.431 -7.517 1.00 0.00 H new ATOM 0 HD22 LEU B 21 -14.619 5.179 -8.104 1.00 0.00 H new ATOM 0 HD23 LEU B 21 -14.914 5.974 -6.540 1.00 0.00 H new ATOM 1195 N ARG B 22 -15.426 1.187 -4.186 1.00 0.00 N ATOM 1196 CA ARG B 22 -16.328 0.048 -3.991 1.00 0.00 C ATOM 1197 C ARG B 22 -16.968 0.014 -2.602 1.00 0.00 C ATOM 1198 O ARG B 22 -18.010 -0.616 -2.421 1.00 0.00 O ATOM 1199 CB ARG B 22 -15.572 -1.262 -4.216 1.00 0.00 C ATOM 1200 CG ARG B 22 -15.098 -1.457 -5.643 1.00 0.00 C ATOM 1201 CD ARG B 22 -14.243 -2.709 -5.775 1.00 0.00 C ATOM 1202 NE ARG B 22 -12.946 -2.561 -5.118 1.00 0.00 N ATOM 1203 CZ ARG B 22 -12.048 -3.537 -5.021 1.00 0.00 C ATOM 1204 NH1 ARG B 22 -12.300 -4.733 -5.536 1.00 0.00 N ATOM 1205 NH2 ARG B 22 -10.893 -3.318 -4.408 1.00 0.00 N ATOM 0 H ARG B 22 -14.437 0.962 -4.074 1.00 0.00 H new ATOM 0 HA ARG B 22 -17.130 0.166 -4.719 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -14.710 -1.293 -3.549 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -16.218 -2.096 -3.940 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -15.959 -1.530 -6.308 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -14.524 -0.587 -5.960 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -14.774 -3.557 -5.342 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -14.091 -2.934 -6.831 1.00 0.00 H new ATOM 0 HE ARG B 22 -12.716 -1.655 -4.710 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -13.186 -4.908 -6.009 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -11.607 -5.478 -5.459 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -10.693 -2.400 -4.010 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -10.205 -4.067 -4.334 1.00 0.00 H new ATOM 1219 N GLN B 23 -16.340 0.653 -1.613 1.00 0.00 N ATOM 1220 CA GLN B 23 -16.866 0.637 -0.244 1.00 0.00 C ATOM 1221 C GLN B 23 -17.459 1.981 0.155 1.00 0.00 C ATOM 1222 O GLN B 23 -18.578 2.047 0.663 1.00 0.00 O ATOM 1223 CB GLN B 23 -15.757 0.250 0.738 1.00 0.00 C ATOM 1224 CG GLN B 23 -16.272 -0.108 2.123 1.00 0.00 C ATOM 1225 CD GLN B 23 -15.231 -0.813 2.972 1.00 0.00 C ATOM 1226 OE1 GLN B 23 -14.807 -0.301 4.008 1.00 0.00 O ATOM 1227 NE2 GLN B 23 -14.812 -1.995 2.533 1.00 0.00 N ATOM 0 H GLN B 23 -15.476 1.183 -1.730 1.00 0.00 H new ATOM 0 HA GLN B 23 -17.666 -0.103 -0.210 1.00 0.00 H new ATOM 0 HB2 GLN B 23 -15.204 -0.598 0.334 1.00 0.00 H new ATOM 0 HB3 GLN B 23 -15.053 1.078 0.823 1.00 0.00 H new ATOM 0 HG2 GLN B 23 -16.595 0.800 2.632 1.00 0.00 H new ATOM 0 HG3 GLN B 23 -17.149 -0.748 2.026 1.00 0.00 H new ATOM 0 HE21 GLN B 23 -15.191 -2.382 1.669 1.00 0.00 H new ATOM 0 HE22 GLN B 23 -14.111 -2.516 3.060 1.00 0.00 H new ATOM 1236 N GLN B 24 -16.698 3.044 -0.056 1.00 0.00 N ATOM 1237 CA GLN B 24 -17.143 4.383 0.299 1.00 0.00 C ATOM 1238 C GLN B 24 -17.344 4.482 1.813 1.00 0.00 C ATOM 1239 O GLN B 24 -18.474 4.436 2.299 1.00 0.00 O ATOM 1240 CB GLN B 24 -18.446 4.739 -0.428 1.00 0.00 C ATOM 1241 CG GLN B 24 -18.426 4.425 -1.917 1.00 0.00 C ATOM 1242 CD GLN B 24 -17.612 5.423 -2.717 1.00 0.00 C ATOM 1243 OE1 GLN B 24 -17.032 6.356 -2.161 1.00 0.00 O ATOM 1244 NE2 GLN B 24 -17.567 5.231 -4.029 1.00 0.00 N ATOM 0 H GLN B 24 -15.768 3.005 -0.472 1.00 0.00 H new ATOM 0 HA GLN B 24 -16.375 5.092 -0.010 1.00 0.00 H new ATOM 0 HB2 GLN B 24 -19.270 4.197 0.037 1.00 0.00 H new ATOM 0 HB3 GLN B 24 -18.647 5.802 -0.293 1.00 0.00 H new ATOM 0 HG2 GLN B 24 -18.017 3.426 -2.067 1.00 0.00 H new ATOM 0 HG3 GLN B 24 -19.448 4.411 -2.295 1.00 0.00 H new ATOM 0 HE21 GLN B 24 -18.063 4.444 -4.447 1.00 0.00 H new ATOM 0 HE22 GLN B 24 -17.036 5.871 -4.620 1.00 0.00 H new ATOM 1253 N PRO B 25 -16.245 4.597 2.582 1.00 0.00 N ATOM 1254 CA PRO B 25 -16.307 4.679 4.044 1.00 0.00 C ATOM 1255 C PRO B 25 -16.658 6.079 4.543 1.00 0.00 C ATOM 1256 O PRO B 25 -16.682 7.034 3.767 1.00 0.00 O ATOM 1257 CB PRO B 25 -14.887 4.293 4.462 1.00 0.00 C ATOM 1258 CG PRO B 25 -14.032 4.789 3.347 1.00 0.00 C ATOM 1259 CD PRO B 25 -14.855 4.643 2.090 1.00 0.00 C ATOM 0 HA PRO B 25 -17.085 4.040 4.462 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -14.612 4.754 5.411 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -14.789 3.215 4.591 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -13.747 5.829 3.507 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -13.109 4.213 3.278 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -14.699 5.481 1.410 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -14.594 3.736 1.544 1.00 0.00 H new ATOM 1267 N PRO B 26 -16.935 6.225 5.856 1.00 0.00 N ATOM 1268 CA PRO B 26 -17.281 7.519 6.448 1.00 0.00 C ATOM 1269 C PRO B 26 -16.078 8.455 6.525 1.00 0.00 C ATOM 1270 O PRO B 26 -16.220 9.672 6.409 1.00 0.00 O ATOM 1271 CB PRO B 26 -17.780 7.162 7.865 1.00 0.00 C ATOM 1272 CG PRO B 26 -17.912 5.674 7.883 1.00 0.00 C ATOM 1273 CD PRO B 26 -16.934 5.157 6.868 1.00 0.00 C ATOM 0 HA PRO B 26 -18.023 8.050 5.851 1.00 0.00 H new ATOM 0 HB2 PRO B 26 -17.077 7.502 8.625 1.00 0.00 H new ATOM 0 HB3 PRO B 26 -18.735 7.643 8.077 1.00 0.00 H new ATOM 0 HG2 PRO B 26 -17.693 5.275 8.874 1.00 0.00 H new ATOM 0 HG3 PRO B 26 -18.929 5.370 7.635 1.00 0.00 H new ATOM 0 HD2 PRO B 26 -15.944 5.006 7.298 1.00 0.00 H new ATOM 0 HD3 PRO B 26 -17.249 4.201 6.450 1.00 0.00 H new ATOM 1281 N ASP B 27 -14.892 7.876 6.728 1.00 0.00 N ATOM 1282 CA ASP B 27 -13.659 8.654 6.829 1.00 0.00 C ATOM 1283 C ASP B 27 -12.565 8.046 5.959 1.00 0.00 C ATOM 1284 O ASP B 27 -12.382 6.829 5.925 1.00 0.00 O ATOM 1285 CB ASP B 27 -13.204 8.732 8.292 1.00 0.00 C ATOM 1286 CG ASP B 27 -13.869 9.867 9.048 1.00 0.00 C ATOM 1287 OD1 ASP B 27 -13.359 11.004 8.983 1.00 0.00 O ATOM 1288 OD2 ASP B 27 -14.903 9.616 9.705 1.00 0.00 O ATOM 0 H ASP B 27 -14.762 6.869 6.826 1.00 0.00 H new ATOM 0 HA ASP B 27 -13.855 9.664 6.469 1.00 0.00 H new ATOM 0 HB2 ASP B 27 -13.428 7.788 8.789 1.00 0.00 H new ATOM 0 HB3 ASP B 27 -12.122 8.862 8.326 1.00 0.00 H new ATOM 1293 N LEU B 28 -11.845 8.910 5.255 1.00 0.00 N ATOM 1294 CA LEU B 28 -10.768 8.482 4.374 1.00 0.00 C ATOM 1295 C LEU B 28 -9.557 8.011 5.174 1.00 0.00 C ATOM 1296 O LEU B 28 -8.915 7.022 4.819 1.00 0.00 O ATOM 1297 CB LEU B 28 -10.370 9.631 3.451 1.00 0.00 C ATOM 1298 CG LEU B 28 -11.507 10.201 2.596 1.00 0.00 C ATOM 1299 CD1 LEU B 28 -11.100 11.532 1.980 1.00 0.00 C ATOM 1300 CD2 LEU B 28 -11.909 9.208 1.513 1.00 0.00 C ATOM 0 H LEU B 28 -11.990 9.919 5.278 1.00 0.00 H new ATOM 0 HA LEU B 28 -11.126 7.643 3.777 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -9.953 10.436 4.057 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -9.576 9.286 2.789 1.00 0.00 H new ATOM 0 HG LEU B 28 -12.369 10.374 3.241 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.921 11.920 1.377 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -10.864 12.243 2.772 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -10.223 11.388 1.349 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -12.717 9.629 0.915 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -11.052 9.003 0.871 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -12.245 8.281 1.976 1.00 0.00 H new ATOM 1312 N VAL B 29 -9.248 8.726 6.252 1.00 0.00 N ATOM 1313 CA VAL B 29 -8.112 8.373 7.094 1.00 0.00 C ATOM 1314 C VAL B 29 -8.357 7.054 7.821 1.00 0.00 C ATOM 1315 O VAL B 29 -7.572 6.116 7.696 1.00 0.00 O ATOM 1316 CB VAL B 29 -7.795 9.474 8.130 1.00 0.00 C ATOM 1317 CG1 VAL B 29 -6.581 9.089 8.971 1.00 0.00 C ATOM 1318 CG2 VAL B 29 -7.569 10.810 7.437 1.00 0.00 C ATOM 0 H VAL B 29 -9.766 9.549 6.561 1.00 0.00 H new ATOM 0 HA VAL B 29 -7.254 8.267 6.429 1.00 0.00 H new ATOM 0 HB VAL B 29 -8.651 9.575 8.797 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -6.375 9.878 9.694 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -6.785 8.157 9.498 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -5.716 8.957 8.322 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -7.347 11.574 8.182 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -6.731 10.724 6.745 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -8.467 11.091 6.886 1.00 0.00 H new ATOM 1328 N GLU B 30 -9.455 6.984 8.574 1.00 0.00 N ATOM 1329 CA GLU B 30 -9.797 5.772 9.319 1.00 0.00 C ATOM 1330 C GLU B 30 -9.666 4.536 8.432 1.00 0.00 C ATOM 1331 O GLU B 30 -9.049 3.542 8.819 1.00 0.00 O ATOM 1332 CB GLU B 30 -11.225 5.867 9.871 1.00 0.00 C ATOM 1333 CG GLU B 30 -11.350 6.738 11.113 1.00 0.00 C ATOM 1334 CD GLU B 30 -11.335 8.223 10.798 1.00 0.00 C ATOM 1335 OE1 GLU B 30 -10.321 8.705 10.256 1.00 0.00 O ATOM 1336 OE2 GLU B 30 -12.340 8.902 11.097 1.00 0.00 O ATOM 0 H GLU B 30 -10.121 7.749 8.684 1.00 0.00 H new ATOM 0 HA GLU B 30 -9.100 5.680 10.152 1.00 0.00 H new ATOM 0 HB2 GLU B 30 -11.879 6.263 9.094 1.00 0.00 H new ATOM 0 HB3 GLU B 30 -11.581 4.864 10.106 1.00 0.00 H new ATOM 0 HG2 GLU B 30 -12.276 6.491 11.632 1.00 0.00 H new ATOM 0 HG3 GLU B 30 -10.532 6.508 11.795 1.00 0.00 H new ATOM 1343 N PHE B 31 -10.251 4.604 7.244 1.00 0.00 N ATOM 1344 CA PHE B 31 -10.200 3.492 6.303 1.00 0.00 C ATOM 1345 C PHE B 31 -8.790 3.287 5.751 1.00 0.00 C ATOM 1346 O PHE B 31 -8.435 2.185 5.335 1.00 0.00 O ATOM 1347 CB PHE B 31 -11.178 3.733 5.156 1.00 0.00 C ATOM 1348 CG PHE B 31 -11.339 2.541 4.257 1.00 0.00 C ATOM 1349 CD1 PHE B 31 -11.858 1.356 4.753 1.00 0.00 C ATOM 1350 CD2 PHE B 31 -10.973 2.604 2.924 1.00 0.00 C ATOM 1351 CE1 PHE B 31 -12.010 0.255 3.934 1.00 0.00 C ATOM 1352 CE2 PHE B 31 -11.122 1.506 2.098 1.00 0.00 C ATOM 1353 CZ PHE B 31 -11.642 0.329 2.606 1.00 0.00 C ATOM 0 H PHE B 31 -10.767 5.417 6.908 1.00 0.00 H new ATOM 0 HA PHE B 31 -10.484 2.587 6.840 1.00 0.00 H new ATOM 0 HB2 PHE B 31 -12.150 4.004 5.567 1.00 0.00 H new ATOM 0 HB3 PHE B 31 -10.833 4.582 4.565 1.00 0.00 H new ATOM 0 HD1 PHE B 31 -12.147 1.293 5.792 1.00 0.00 H new ATOM 0 HD2 PHE B 31 -10.566 3.521 2.525 1.00 0.00 H new ATOM 0 HE1 PHE B 31 -12.416 -0.663 4.332 1.00 0.00 H new ATOM 0 HE2 PHE B 31 -10.833 1.567 1.059 1.00 0.00 H new ATOM 0 HZ PHE B 31 -11.760 -0.531 1.964 1.00 0.00 H new ATOM 1363 N ALA B 32 -7.990 4.351 5.743 1.00 0.00 N ATOM 1364 CA ALA B 32 -6.622 4.277 5.235 1.00 0.00 C ATOM 1365 C ALA B 32 -5.681 3.628 6.242 1.00 0.00 C ATOM 1366 O ALA B 32 -4.889 2.755 5.890 1.00 0.00 O ATOM 1367 CB ALA B 32 -6.123 5.661 4.860 1.00 0.00 C ATOM 0 H ALA B 32 -8.265 5.273 6.082 1.00 0.00 H new ATOM 0 HA ALA B 32 -6.634 3.650 4.344 1.00 0.00 H new ATOM 0 HB1 ALA B 32 -5.103 5.590 4.483 1.00 0.00 H new ATOM 0 HB2 ALA B 32 -6.766 6.083 4.088 1.00 0.00 H new ATOM 0 HB3 ALA B 32 -6.141 6.305 5.739 1.00 0.00 H new ATOM 1373 N VAL B 33 -5.773 4.050 7.498 1.00 0.00 N ATOM 1374 CA VAL B 33 -4.916 3.485 8.541 1.00 0.00 C ATOM 1375 C VAL B 33 -5.067 1.965 8.572 1.00 0.00 C ATOM 1376 O VAL B 33 -4.105 1.231 8.374 1.00 0.00 O ATOM 1377 CB VAL B 33 -5.186 4.062 9.967 1.00 0.00 C ATOM 1378 CG1 VAL B 33 -3.894 4.573 10.587 1.00 0.00 C ATOM 1379 CG2 VAL B 33 -6.227 5.171 9.959 1.00 0.00 C ATOM 0 H VAL B 33 -6.421 4.770 7.819 1.00 0.00 H new ATOM 0 HA VAL B 33 -3.897 3.770 8.279 1.00 0.00 H new ATOM 0 HB VAL B 33 -5.583 3.244 10.568 1.00 0.00 H new ATOM 0 HG11 VAL B 33 -4.100 4.972 11.580 1.00 0.00 H new ATOM 0 HG12 VAL B 33 -3.179 3.754 10.666 1.00 0.00 H new ATOM 0 HG13 VAL B 33 -3.476 5.360 9.960 1.00 0.00 H new ATOM 0 HG21 VAL B 33 -6.377 5.537 10.975 1.00 0.00 H new ATOM 0 HG22 VAL B 33 -5.883 5.989 9.326 1.00 0.00 H new ATOM 0 HG23 VAL B 33 -7.169 4.783 9.570 1.00 0.00 H new ATOM 1389 N GLU B 34 -6.291 1.503 8.806 1.00 0.00 N ATOM 1390 CA GLU B 34 -6.574 0.073 8.857 1.00 0.00 C ATOM 1391 C GLU B 34 -6.049 -0.644 7.614 1.00 0.00 C ATOM 1392 O GLU B 34 -5.599 -1.785 7.691 1.00 0.00 O ATOM 1393 CB GLU B 34 -8.080 -0.163 8.996 1.00 0.00 C ATOM 1394 CG GLU B 34 -8.669 0.389 10.285 1.00 0.00 C ATOM 1395 CD GLU B 34 -10.134 0.039 10.452 1.00 0.00 C ATOM 1396 OE1 GLU B 34 -10.920 0.306 9.518 1.00 0.00 O ATOM 1397 OE2 GLU B 34 -10.498 -0.502 11.518 1.00 0.00 O ATOM 0 H GLU B 34 -7.104 2.099 8.963 1.00 0.00 H new ATOM 0 HA GLU B 34 -6.061 -0.337 9.727 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -8.590 0.295 8.149 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -8.277 -1.234 8.946 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -8.107 -0.001 11.133 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -8.554 1.473 10.298 1.00 0.00 H new ATOM 1404 N TYR B 35 -6.116 0.026 6.470 1.00 0.00 N ATOM 1405 CA TYR B 35 -5.654 -0.558 5.213 1.00 0.00 C ATOM 1406 C TYR B 35 -4.134 -0.721 5.197 1.00 0.00 C ATOM 1407 O TYR B 35 -3.628 -1.807 4.917 1.00 0.00 O ATOM 1408 CB TYR B 35 -6.096 0.312 4.034 1.00 0.00 C ATOM 1409 CG TYR B 35 -5.665 -0.219 2.679 1.00 0.00 C ATOM 1410 CD1 TYR B 35 -4.350 -0.085 2.246 1.00 0.00 C ATOM 1411 CD2 TYR B 35 -6.571 -0.848 1.832 1.00 0.00 C ATOM 1412 CE1 TYR B 35 -3.952 -0.561 1.012 1.00 0.00 C ATOM 1413 CE2 TYR B 35 -6.180 -1.328 0.595 1.00 0.00 C ATOM 1414 CZ TYR B 35 -4.870 -1.182 0.190 1.00 0.00 C ATOM 1415 OH TYR B 35 -4.476 -1.658 -1.039 1.00 0.00 O ATOM 0 H TYR B 35 -6.485 0.973 6.385 1.00 0.00 H new ATOM 0 HA TYR B 35 -6.101 -1.548 5.122 1.00 0.00 H new ATOM 0 HB2 TYR B 35 -7.182 0.401 4.049 1.00 0.00 H new ATOM 0 HB3 TYR B 35 -5.692 1.316 4.165 1.00 0.00 H new ATOM 0 HD1 TYR B 35 -3.628 0.400 2.886 1.00 0.00 H new ATOM 0 HD2 TYR B 35 -7.598 -0.964 2.146 1.00 0.00 H new ATOM 0 HE1 TYR B 35 -2.927 -0.448 0.692 1.00 0.00 H new ATOM 0 HE2 TYR B 35 -6.897 -1.814 -0.050 1.00 0.00 H new ATOM 0 HH TYR B 35 -5.242 -2.068 -1.492 1.00 0.00 H new ATOM 1425 N PHE B 36 -3.406 0.356 5.482 1.00 0.00 N ATOM 1426 CA PHE B 36 -1.945 0.314 5.479 1.00 0.00 C ATOM 1427 C PHE B 36 -1.400 -0.368 6.735 1.00 0.00 C ATOM 1428 O PHE B 36 -0.499 -1.204 6.653 1.00 0.00 O ATOM 1429 CB PHE B 36 -1.379 1.734 5.357 1.00 0.00 C ATOM 1430 CG PHE B 36 -1.474 2.303 3.967 1.00 0.00 C ATOM 1431 CD1 PHE B 36 -0.555 1.941 2.996 1.00 0.00 C ATOM 1432 CD2 PHE B 36 -2.480 3.197 3.630 1.00 0.00 C ATOM 1433 CE1 PHE B 36 -0.635 2.459 1.717 1.00 0.00 C ATOM 1434 CE2 PHE B 36 -2.564 3.719 2.353 1.00 0.00 C ATOM 1435 CZ PHE B 36 -1.640 3.349 1.396 1.00 0.00 C ATOM 0 H PHE B 36 -3.802 1.266 5.717 1.00 0.00 H new ATOM 0 HA PHE B 36 -1.628 -0.275 4.618 1.00 0.00 H new ATOM 0 HB2 PHE B 36 -1.912 2.389 6.046 1.00 0.00 H new ATOM 0 HB3 PHE B 36 -0.334 1.728 5.667 1.00 0.00 H new ATOM 0 HD1 PHE B 36 0.234 1.245 3.241 1.00 0.00 H new ATOM 0 HD2 PHE B 36 -3.206 3.489 4.374 1.00 0.00 H new ATOM 0 HE1 PHE B 36 0.088 2.168 0.970 1.00 0.00 H new ATOM 0 HE2 PHE B 36 -3.351 4.415 2.104 1.00 0.00 H new ATOM 0 HZ PHE B 36 -1.704 3.756 0.397 1.00 0.00 H new ATOM 1445 N THR B 37 -1.940 -0.004 7.892 1.00 0.00 N ATOM 1446 CA THR B 37 -1.493 -0.581 9.156 1.00 0.00 C ATOM 1447 C THR B 37 -1.709 -2.097 9.181 1.00 0.00 C ATOM 1448 O THR B 37 -0.984 -2.822 9.862 1.00 0.00 O ATOM 1449 CB THR B 37 -2.221 0.085 10.339 1.00 0.00 C ATOM 1450 OG1 THR B 37 -2.575 1.419 10.020 1.00 0.00 O ATOM 1451 CG2 THR B 37 -1.402 0.134 11.618 1.00 0.00 C ATOM 0 H THR B 37 -2.686 0.686 7.982 1.00 0.00 H new ATOM 0 HA THR B 37 -0.424 -0.392 9.251 1.00 0.00 H new ATOM 0 HB THR B 37 -3.098 -0.539 10.513 1.00 0.00 H new ATOM 0 HG1 THR B 37 -2.991 1.444 9.133 1.00 0.00 H new ATOM 0 HG21 THR B 37 -1.983 0.617 12.404 1.00 0.00 H new ATOM 0 HG22 THR B 37 -1.148 -0.880 11.926 1.00 0.00 H new ATOM 0 HG23 THR B 37 -0.487 0.700 11.443 1.00 0.00 H new ATOM 1459 N ARG B 38 -2.697 -2.574 8.425 1.00 0.00 N ATOM 1460 CA ARG B 38 -2.982 -4.008 8.358 1.00 0.00 C ATOM 1461 C ARG B 38 -1.935 -4.707 7.495 1.00 0.00 C ATOM 1462 O ARG B 38 -1.529 -5.834 7.780 1.00 0.00 O ATOM 1463 CB ARG B 38 -4.387 -4.261 7.802 1.00 0.00 C ATOM 1464 CG ARG B 38 -4.719 -5.740 7.592 1.00 0.00 C ATOM 1465 CD ARG B 38 -4.541 -6.171 6.141 1.00 0.00 C ATOM 1466 NE ARG B 38 -5.032 -7.529 5.913 1.00 0.00 N ATOM 1467 CZ ARG B 38 -5.132 -8.090 4.711 1.00 0.00 C ATOM 1468 NH1 ARG B 38 -4.770 -7.418 3.625 1.00 0.00 N ATOM 1469 NH2 ARG B 38 -5.594 -9.327 4.593 1.00 0.00 N ATOM 0 H ARG B 38 -3.311 -1.993 7.853 1.00 0.00 H new ATOM 0 HA ARG B 38 -2.940 -4.416 9.368 1.00 0.00 H new ATOM 0 HB2 ARG B 38 -5.119 -3.829 8.484 1.00 0.00 H new ATOM 0 HB3 ARG B 38 -4.489 -3.738 6.851 1.00 0.00 H new ATOM 0 HG2 ARG B 38 -4.079 -6.348 8.231 1.00 0.00 H new ATOM 0 HG3 ARG B 38 -5.747 -5.927 7.901 1.00 0.00 H new ATOM 0 HD2 ARG B 38 -5.072 -5.478 5.488 1.00 0.00 H new ATOM 0 HD3 ARG B 38 -3.486 -6.116 5.873 1.00 0.00 H new ATOM 0 HE ARG B 38 -5.315 -8.079 6.724 1.00 0.00 H new ATOM 0 HH11 ARG B 38 -4.413 -6.466 3.710 1.00 0.00 H new ATOM 0 HH12 ARG B 38 -4.849 -7.853 2.706 1.00 0.00 H new ATOM 0 HH21 ARG B 38 -5.873 -9.849 5.424 1.00 0.00 H new ATOM 0 HH22 ARG B 38 -5.671 -9.757 3.671 1.00 0.00 H new ATOM 1483 N LEU B 39 -1.499 -4.023 6.442 1.00 0.00 N ATOM 1484 CA LEU B 39 -0.493 -4.569 5.538 1.00 0.00 C ATOM 1485 C LEU B 39 0.857 -4.655 6.241 1.00 0.00 C ATOM 1486 O LEU B 39 1.526 -5.687 6.208 1.00 0.00 O ATOM 1487 CB LEU B 39 -0.380 -3.704 4.278 1.00 0.00 C ATOM 1488 CG LEU B 39 -1.572 -3.791 3.317 1.00 0.00 C ATOM 1489 CD1 LEU B 39 -1.514 -2.668 2.290 1.00 0.00 C ATOM 1490 CD2 LEU B 39 -1.608 -5.149 2.624 1.00 0.00 C ATOM 0 H LEU B 39 -1.827 -3.090 6.194 1.00 0.00 H new ATOM 0 HA LEU B 39 -0.800 -5.573 5.244 1.00 0.00 H new ATOM 0 HB2 LEU B 39 -0.253 -2.665 4.581 1.00 0.00 H new ATOM 0 HB3 LEU B 39 0.523 -3.992 3.739 1.00 0.00 H new ATOM 0 HG LEU B 39 -2.488 -3.680 3.898 1.00 0.00 H new ATOM 0 HD11 LEU B 39 -2.368 -2.746 1.617 1.00 0.00 H new ATOM 0 HD12 LEU B 39 -1.542 -1.706 2.801 1.00 0.00 H new ATOM 0 HD13 LEU B 39 -0.591 -2.747 1.716 1.00 0.00 H new ATOM 0 HD21 LEU B 39 -2.461 -5.189 1.947 1.00 0.00 H new ATOM 0 HD22 LEU B 39 -0.688 -5.293 2.057 1.00 0.00 H new ATOM 0 HD23 LEU B 39 -1.701 -5.937 3.372 1.00 0.00 H new ATOM 1502 N ARG B 40 1.244 -3.560 6.885 1.00 0.00 N ATOM 1503 CA ARG B 40 2.507 -3.496 7.609 1.00 0.00 C ATOM 1504 C ARG B 40 2.570 -4.562 8.700 1.00 0.00 C ATOM 1505 O ARG B 40 3.619 -5.158 8.937 1.00 0.00 O ATOM 1506 CB ARG B 40 2.684 -2.107 8.216 1.00 0.00 C ATOM 1507 CG ARG B 40 4.087 -1.847 8.726 1.00 0.00 C ATOM 1508 CD ARG B 40 5.119 -1.924 7.610 1.00 0.00 C ATOM 1509 NE ARG B 40 6.462 -1.786 8.130 1.00 0.00 N ATOM 1510 CZ ARG B 40 7.566 -1.897 7.397 1.00 0.00 C ATOM 1511 NH1 ARG B 40 7.484 -2.162 6.098 1.00 0.00 N ATOM 1512 NH2 ARG B 40 8.756 -1.749 7.962 1.00 0.00 N ATOM 0 H ARG B 40 0.697 -2.700 6.920 1.00 0.00 H new ATOM 0 HA ARG B 40 3.317 -3.688 6.906 1.00 0.00 H new ATOM 0 HB2 ARG B 40 2.433 -1.356 7.466 1.00 0.00 H new ATOM 0 HB3 ARG B 40 1.978 -1.985 9.038 1.00 0.00 H new ATOM 0 HG2 ARG B 40 4.128 -0.862 9.191 1.00 0.00 H new ATOM 0 HG3 ARG B 40 4.333 -2.575 9.499 1.00 0.00 H new ATOM 0 HD2 ARG B 40 5.024 -2.876 7.088 1.00 0.00 H new ATOM 0 HD3 ARG B 40 4.927 -1.139 6.878 1.00 0.00 H new ATOM 0 HE ARG B 40 6.569 -1.591 9.125 1.00 0.00 H new ATOM 0 HH11 ARG B 40 6.571 -2.281 5.658 1.00 0.00 H new ATOM 0 HH12 ARG B 40 8.334 -2.246 5.540 1.00 0.00 H new ATOM 0 HH21 ARG B 40 8.826 -1.550 8.960 1.00 0.00 H new ATOM 0 HH22 ARG B 40 9.602 -1.834 7.399 1.00 0.00 H new ATOM 1754 N GLU C 591 -14.147 -3.424 -13.928 1.00 0.00 N ATOM 1755 CA GLU C 591 -13.689 -2.438 -14.920 1.00 0.00 C ATOM 1756 C GLU C 591 -13.776 -0.979 -14.452 1.00 0.00 C ATOM 1757 O GLU C 591 -12.759 -0.365 -14.132 1.00 0.00 O ATOM 1758 CB GLU C 591 -14.480 -2.612 -16.221 1.00 0.00 C ATOM 1759 CG GLU C 591 -14.154 -3.899 -16.963 1.00 0.00 C ATOM 1760 CD GLU C 591 -14.780 -3.954 -18.343 1.00 0.00 C ATOM 1761 OE1 GLU C 591 -15.980 -4.288 -18.437 1.00 0.00 O ATOM 1762 OE2 GLU C 591 -14.071 -3.664 -19.329 1.00 0.00 O ATOM 0 HA GLU C 591 -12.629 -2.638 -15.076 1.00 0.00 H new ATOM 0 HB2 GLU C 591 -15.546 -2.593 -15.994 1.00 0.00 H new ATOM 0 HB3 GLU C 591 -14.279 -1.764 -16.875 1.00 0.00 H new ATOM 0 HG2 GLU C 591 -13.072 -3.996 -17.055 1.00 0.00 H new ATOM 0 HG3 GLU C 591 -14.502 -4.750 -16.377 1.00 0.00 H new ATOM 1769 N GLU C 592 -14.986 -0.421 -14.443 1.00 0.00 N ATOM 1770 CA GLU C 592 -15.205 0.972 -14.050 1.00 0.00 C ATOM 1771 C GLU C 592 -14.446 1.359 -12.780 1.00 0.00 C ATOM 1772 O GLU C 592 -14.074 2.518 -12.603 1.00 0.00 O ATOM 1773 CB GLU C 592 -16.701 1.227 -13.856 1.00 0.00 C ATOM 1774 CG GLU C 592 -17.510 1.093 -15.137 1.00 0.00 C ATOM 1775 CD GLU C 592 -18.934 1.593 -14.983 1.00 0.00 C ATOM 1776 OE1 GLU C 592 -19.157 2.511 -14.166 1.00 0.00 O ATOM 1777 OE2 GLU C 592 -19.826 1.068 -15.682 1.00 0.00 O ATOM 0 H GLU C 592 -15.837 -0.917 -14.706 1.00 0.00 H new ATOM 0 HA GLU C 592 -14.817 1.594 -14.856 1.00 0.00 H new ATOM 0 HB2 GLU C 592 -17.088 0.526 -13.116 1.00 0.00 H new ATOM 0 HB3 GLU C 592 -16.841 2.229 -13.450 1.00 0.00 H new ATOM 0 HG2 GLU C 592 -17.017 1.651 -15.933 1.00 0.00 H new ATOM 0 HG3 GLU C 592 -17.527 0.047 -15.444 1.00 0.00 H new ATOM 1784 N ILE C 593 -14.225 0.391 -11.897 1.00 0.00 N ATOM 1785 CA ILE C 593 -13.513 0.651 -10.647 1.00 0.00 C ATOM 1786 C ILE C 593 -12.017 0.820 -10.888 1.00 0.00 C ATOM 1787 O ILE C 593 -11.340 1.521 -10.136 1.00 0.00 O ATOM 1788 CB ILE C 593 -13.746 -0.473 -9.609 1.00 0.00 C ATOM 1789 CG1 ILE C 593 -15.194 -0.440 -9.106 1.00 0.00 C ATOM 1790 CG2 ILE C 593 -12.769 -0.351 -8.441 1.00 0.00 C ATOM 1791 CD1 ILE C 593 -15.538 0.777 -8.269 1.00 0.00 C ATOM 0 H ILE C 593 -14.526 -0.576 -12.021 1.00 0.00 H new ATOM 0 HA ILE C 593 -13.916 1.581 -10.246 1.00 0.00 H new ATOM 0 HB ILE C 593 -13.567 -1.431 -10.097 1.00 0.00 H new ATOM 0 HG12 ILE C 593 -15.865 -0.477 -9.964 1.00 0.00 H new ATOM 0 HG13 ILE C 593 -15.381 -1.337 -8.516 1.00 0.00 H new ATOM 0 HG21 ILE C 593 -12.954 -1.153 -7.726 1.00 0.00 H new ATOM 0 HG22 ILE C 593 -11.747 -0.425 -8.812 1.00 0.00 H new ATOM 0 HG23 ILE C 593 -12.908 0.612 -7.950 1.00 0.00 H new ATOM 0 HD11 ILE C 593 -16.580 0.720 -7.955 1.00 0.00 H new ATOM 0 HD12 ILE C 593 -14.895 0.807 -7.389 1.00 0.00 H new ATOM 0 HD13 ILE C 593 -15.386 1.680 -8.860 1.00 0.00 H new ATOM 1803 N TRP C 594 -11.497 0.187 -11.939 1.00 0.00 N ATOM 1804 CA TRP C 594 -10.078 0.296 -12.257 1.00 0.00 C ATOM 1805 C TRP C 594 -9.774 1.596 -12.979 1.00 0.00 C ATOM 1806 O TRP C 594 -8.839 2.312 -12.620 1.00 0.00 O ATOM 1807 CB TRP C 594 -9.606 -0.881 -13.107 1.00 0.00 C ATOM 1808 CG TRP C 594 -8.121 -0.893 -13.279 1.00 0.00 C ATOM 1809 CD1 TRP C 594 -7.413 -0.396 -14.334 1.00 0.00 C ATOM 1810 CD2 TRP C 594 -7.158 -1.411 -12.355 1.00 0.00 C ATOM 1811 NE1 TRP C 594 -6.066 -0.571 -14.122 1.00 0.00 N ATOM 1812 CE2 TRP C 594 -5.885 -1.196 -12.915 1.00 0.00 C ATOM 1813 CE3 TRP C 594 -7.250 -2.037 -11.108 1.00 0.00 C ATOM 1814 CZ2 TRP C 594 -4.714 -1.584 -12.268 1.00 0.00 C ATOM 1815 CZ3 TRP C 594 -6.087 -2.422 -10.470 1.00 0.00 C ATOM 1816 CH2 TRP C 594 -4.833 -2.193 -11.050 1.00 0.00 C ATOM 0 H TRP C 594 -12.033 -0.401 -12.578 1.00 0.00 H new ATOM 0 HA TRP C 594 -9.539 0.283 -11.310 1.00 0.00 H new ATOM 0 HB2 TRP C 594 -9.924 -1.814 -12.641 1.00 0.00 H new ATOM 0 HB3 TRP C 594 -10.083 -0.835 -14.086 1.00 0.00 H new ATOM 0 HD1 TRP C 594 -7.847 0.067 -15.208 1.00 0.00 H new ATOM 0 HE1 TRP C 594 -5.323 -0.283 -14.758 1.00 0.00 H new ATOM 0 HE3 TRP C 594 -8.213 -2.216 -10.652 1.00 0.00 H new ATOM 0 HZ2 TRP C 594 -3.746 -1.410 -12.713 1.00 0.00 H new ATOM 0 HZ3 TRP C 594 -6.146 -2.908 -9.507 1.00 0.00 H new ATOM 0 HH2 TRP C 594 -3.942 -2.504 -10.524 1.00 0.00 H new ATOM 1827 N LYS C 595 -10.575 1.911 -13.987 1.00 0.00 N ATOM 1828 CA LYS C 595 -10.386 3.140 -14.736 1.00 0.00 C ATOM 1829 C LYS C 595 -10.416 4.328 -13.781 1.00 0.00 C ATOM 1830 O LYS C 595 -9.589 5.235 -13.878 1.00 0.00 O ATOM 1831 CB LYS C 595 -11.471 3.283 -15.811 1.00 0.00 C ATOM 1832 CG LYS C 595 -11.180 2.490 -17.080 1.00 0.00 C ATOM 1833 CD LYS C 595 -12.432 2.294 -17.932 1.00 0.00 C ATOM 1834 CE LYS C 595 -13.225 1.065 -17.504 1.00 0.00 C ATOM 1835 NZ LYS C 595 -14.624 1.101 -18.011 1.00 0.00 N ATOM 0 H LYS C 595 -11.356 1.336 -14.302 1.00 0.00 H new ATOM 0 HA LYS C 595 -9.417 3.111 -15.235 1.00 0.00 H new ATOM 0 HB2 LYS C 595 -12.425 2.955 -15.398 1.00 0.00 H new ATOM 0 HB3 LYS C 595 -11.580 4.337 -16.068 1.00 0.00 H new ATOM 0 HG2 LYS C 595 -10.421 3.009 -17.665 1.00 0.00 H new ATOM 0 HG3 LYS C 595 -10.767 1.517 -16.813 1.00 0.00 H new ATOM 0 HD2 LYS C 595 -13.065 3.178 -17.856 1.00 0.00 H new ATOM 0 HD3 LYS C 595 -12.146 2.195 -18.979 1.00 0.00 H new ATOM 0 HE2 LYS C 595 -12.729 0.167 -17.872 1.00 0.00 H new ATOM 0 HE3 LYS C 595 -13.235 1.001 -16.416 1.00 0.00 H new ATOM 0 HZ1 LYS C 595 -15.129 0.247 -17.698 1.00 0.00 H new ATOM 0 HZ2 LYS C 595 -15.106 1.944 -17.640 1.00 0.00 H new ATOM 0 HZ3 LYS C 595 -14.616 1.136 -19.050 1.00 0.00 H new ATOM 1849 N LYS C 596 -11.380 4.324 -12.866 1.00 0.00 N ATOM 1850 CA LYS C 596 -11.519 5.414 -11.906 1.00 0.00 C ATOM 1851 C LYS C 596 -10.331 5.472 -10.943 1.00 0.00 C ATOM 1852 O LYS C 596 -9.656 6.498 -10.860 1.00 0.00 O ATOM 1853 CB LYS C 596 -12.838 5.271 -11.118 1.00 0.00 C ATOM 1854 CG LYS C 596 -13.942 6.217 -11.576 1.00 0.00 C ATOM 1855 CD LYS C 596 -14.397 5.922 -13.000 1.00 0.00 C ATOM 1856 CE LYS C 596 -15.091 7.125 -13.619 1.00 0.00 C ATOM 1857 NZ LYS C 596 -15.666 6.810 -14.957 1.00 0.00 N ATOM 0 H LYS C 596 -12.073 3.582 -12.769 1.00 0.00 H new ATOM 0 HA LYS C 596 -11.539 6.348 -12.467 1.00 0.00 H new ATOM 0 HB2 LYS C 596 -13.193 4.244 -11.208 1.00 0.00 H new ATOM 0 HB3 LYS C 596 -12.638 5.447 -10.061 1.00 0.00 H new ATOM 0 HG2 LYS C 596 -14.793 6.134 -10.900 1.00 0.00 H new ATOM 0 HG3 LYS C 596 -13.586 7.245 -11.516 1.00 0.00 H new ATOM 0 HD2 LYS C 596 -13.537 5.643 -13.608 1.00 0.00 H new ATOM 0 HD3 LYS C 596 -15.076 5.069 -12.998 1.00 0.00 H new ATOM 0 HE2 LYS C 596 -15.885 7.467 -12.955 1.00 0.00 H new ATOM 0 HE3 LYS C 596 -14.379 7.945 -13.714 1.00 0.00 H new ATOM 0 HZ1 LYS C 596 -16.130 7.657 -15.344 1.00 0.00 H new ATOM 0 HZ2 LYS C 596 -14.906 6.508 -15.599 1.00 0.00 H new ATOM 0 HZ3 LYS C 596 -16.364 6.045 -14.863 1.00 0.00 H new ATOM 1871 N ALA C 597 -10.073 4.386 -10.206 1.00 0.00 N ATOM 1872 CA ALA C 597 -8.966 4.355 -9.252 1.00 0.00 C ATOM 1873 C ALA C 597 -7.665 4.852 -9.880 1.00 0.00 C ATOM 1874 O ALA C 597 -6.865 5.519 -9.227 1.00 0.00 O ATOM 1875 CB ALA C 597 -8.772 2.941 -8.723 1.00 0.00 C ATOM 0 H ALA C 597 -10.614 3.523 -10.253 1.00 0.00 H new ATOM 0 HA ALA C 597 -9.221 5.024 -8.430 1.00 0.00 H new ATOM 0 HB1 ALA C 597 -7.945 2.928 -8.013 1.00 0.00 H new ATOM 0 HB2 ALA C 597 -9.683 2.611 -8.224 1.00 0.00 H new ATOM 0 HB3 ALA C 597 -8.549 2.270 -9.552 1.00 0.00 H new ATOM 1881 N GLU C 598 -7.456 4.508 -11.151 1.00 0.00 N ATOM 1882 CA GLU C 598 -6.247 4.902 -11.870 1.00 0.00 C ATOM 1883 C GLU C 598 -6.216 6.410 -12.127 1.00 0.00 C ATOM 1884 O GLU C 598 -5.167 7.041 -12.011 1.00 0.00 O ATOM 1885 CB GLU C 598 -6.142 4.123 -13.192 1.00 0.00 C ATOM 1886 CG GLU C 598 -5.428 2.782 -13.059 1.00 0.00 C ATOM 1887 CD GLU C 598 -3.917 2.921 -13.039 1.00 0.00 C ATOM 1888 OE1 GLU C 598 -3.425 4.067 -12.963 1.00 0.00 O ATOM 1889 OE2 GLU C 598 -3.225 1.882 -13.098 1.00 0.00 O ATOM 0 H GLU C 598 -8.111 3.956 -11.704 1.00 0.00 H new ATOM 0 HA GLU C 598 -5.387 4.658 -11.247 1.00 0.00 H new ATOM 0 HB2 GLU C 598 -7.145 3.953 -13.584 1.00 0.00 H new ATOM 0 HB3 GLU C 598 -5.613 4.735 -13.923 1.00 0.00 H new ATOM 0 HG2 GLU C 598 -5.755 2.290 -12.143 1.00 0.00 H new ATOM 0 HG3 GLU C 598 -5.718 2.137 -13.888 1.00 0.00 H new ATOM 1896 N GLU C 599 -7.364 6.989 -12.466 1.00 0.00 N ATOM 1897 CA GLU C 599 -7.440 8.424 -12.723 1.00 0.00 C ATOM 1898 C GLU C 599 -7.065 9.206 -11.467 1.00 0.00 C ATOM 1899 O GLU C 599 -6.326 10.188 -11.538 1.00 0.00 O ATOM 1900 CB GLU C 599 -8.848 8.809 -13.189 1.00 0.00 C ATOM 1901 CG GLU C 599 -9.123 8.459 -14.642 1.00 0.00 C ATOM 1902 CD GLU C 599 -10.514 8.868 -15.089 1.00 0.00 C ATOM 1903 OE1 GLU C 599 -10.717 10.066 -15.374 1.00 0.00 O ATOM 1904 OE2 GLU C 599 -11.397 7.988 -15.157 1.00 0.00 O ATOM 0 H GLU C 599 -8.248 6.491 -12.569 1.00 0.00 H new ATOM 0 HA GLU C 599 -6.733 8.674 -13.514 1.00 0.00 H new ATOM 0 HB2 GLU C 599 -9.581 8.307 -12.558 1.00 0.00 H new ATOM 0 HB3 GLU C 599 -8.988 9.881 -13.049 1.00 0.00 H new ATOM 0 HG2 GLU C 599 -8.383 8.948 -15.276 1.00 0.00 H new ATOM 0 HG3 GLU C 599 -9.002 7.385 -14.782 1.00 0.00 H new ATOM 1911 N ALA C 600 -7.584 8.781 -10.324 1.00 0.00 N ATOM 1912 CA ALA C 600 -7.304 9.465 -9.067 1.00 0.00 C ATOM 1913 C ALA C 600 -5.806 9.607 -8.815 1.00 0.00 C ATOM 1914 O ALA C 600 -5.311 10.710 -8.594 1.00 0.00 O ATOM 1915 CB ALA C 600 -7.957 8.721 -7.914 1.00 0.00 C ATOM 0 H ALA C 600 -8.198 7.971 -10.239 1.00 0.00 H new ATOM 0 HA ALA C 600 -7.722 10.469 -9.139 1.00 0.00 H new ATOM 0 HB1 ALA C 600 -7.743 9.239 -6.979 1.00 0.00 H new ATOM 0 HB2 ALA C 600 -9.035 8.684 -8.069 1.00 0.00 H new ATOM 0 HB3 ALA C 600 -7.562 7.706 -7.866 1.00 0.00 H new ATOM 1921 N VAL C 601 -5.092 8.488 -8.840 1.00 0.00 N ATOM 1922 CA VAL C 601 -3.654 8.489 -8.590 1.00 0.00 C ATOM 1923 C VAL C 601 -2.879 9.272 -9.644 1.00 0.00 C ATOM 1924 O VAL C 601 -1.932 9.986 -9.322 1.00 0.00 O ATOM 1925 CB VAL C 601 -3.096 7.057 -8.506 1.00 0.00 C ATOM 1926 CG1 VAL C 601 -1.646 7.071 -8.048 1.00 0.00 C ATOM 1927 CG2 VAL C 601 -3.949 6.212 -7.569 1.00 0.00 C ATOM 0 H VAL C 601 -5.485 7.566 -9.031 1.00 0.00 H new ATOM 0 HA VAL C 601 -3.518 8.985 -7.629 1.00 0.00 H new ATOM 0 HB VAL C 601 -3.132 6.613 -9.501 1.00 0.00 H new ATOM 0 HG11 VAL C 601 -1.271 6.049 -7.995 1.00 0.00 H new ATOM 0 HG12 VAL C 601 -1.046 7.642 -8.757 1.00 0.00 H new ATOM 0 HG13 VAL C 601 -1.580 7.533 -7.063 1.00 0.00 H new ATOM 0 HG21 VAL C 601 -3.543 5.202 -7.519 1.00 0.00 H new ATOM 0 HG22 VAL C 601 -3.943 6.655 -6.573 1.00 0.00 H new ATOM 0 HG23 VAL C 601 -4.972 6.174 -7.943 1.00 0.00 H new ATOM 1937 N ASN C 602 -3.286 9.158 -10.901 1.00 0.00 N ATOM 1938 CA ASN C 602 -2.619 9.889 -11.970 1.00 0.00 C ATOM 1939 C ASN C 602 -2.740 11.381 -11.693 1.00 0.00 C ATOM 1940 O ASN C 602 -1.807 12.151 -11.923 1.00 0.00 O ATOM 1941 CB ASN C 602 -3.237 9.543 -13.330 1.00 0.00 C ATOM 1942 CG ASN C 602 -2.673 8.263 -13.921 1.00 0.00 C ATOM 1943 OD1 ASN C 602 -2.635 7.203 -13.120 1.00 0.00 O flip ATOM 1944 ND2 ASN C 602 -2.275 8.227 -15.085 1.00 0.00 N flip ATOM 0 H ASN C 602 -4.065 8.574 -11.203 1.00 0.00 H new ATOM 0 HA ASN C 602 -1.567 9.606 -12.002 1.00 0.00 H new ATOM 0 HB2 ASN C 602 -4.317 9.442 -13.219 1.00 0.00 H new ATOM 0 HB3 ASN C 602 -3.063 10.366 -14.023 1.00 0.00 H new ATOM 0 HD21 ASN C 602 -2.322 9.064 -15.666 1.00 0.00 H new ATOM 0 HD22 ASN C 602 -1.898 7.360 -15.469 1.00 0.00 H new ATOM 1951 N GLU C 603 -3.898 11.770 -11.179 1.00 0.00 N ATOM 1952 CA GLU C 603 -4.155 13.161 -10.843 1.00 0.00 C ATOM 1953 C GLU C 603 -3.356 13.572 -9.603 1.00 0.00 C ATOM 1954 O GLU C 603 -2.657 14.585 -9.624 1.00 0.00 O ATOM 1955 CB GLU C 603 -5.655 13.381 -10.607 1.00 0.00 C ATOM 1956 CG GLU C 603 -6.105 14.816 -10.834 1.00 0.00 C ATOM 1957 CD GLU C 603 -7.495 15.087 -10.289 1.00 0.00 C ATOM 1958 OE1 GLU C 603 -7.640 15.177 -9.053 1.00 0.00 O ATOM 1959 OE2 GLU C 603 -8.438 15.208 -11.100 1.00 0.00 O ATOM 0 H GLU C 603 -4.676 11.139 -10.986 1.00 0.00 H new ATOM 0 HA GLU C 603 -3.836 13.783 -11.679 1.00 0.00 H new ATOM 0 HB2 GLU C 603 -6.218 12.724 -11.269 1.00 0.00 H new ATOM 0 HB3 GLU C 603 -5.900 13.090 -9.585 1.00 0.00 H new ATOM 0 HG2 GLU C 603 -5.395 15.494 -10.361 1.00 0.00 H new ATOM 0 HG3 GLU C 603 -6.089 15.033 -11.902 1.00 0.00 H new ATOM 1966 N VAL C 604 -3.463 12.796 -8.517 1.00 0.00 N ATOM 1967 CA VAL C 604 -2.752 13.109 -7.274 1.00 0.00 C ATOM 1968 C VAL C 604 -1.238 13.145 -7.482 1.00 0.00 C ATOM 1969 O VAL C 604 -0.514 13.845 -6.772 1.00 0.00 O ATOM 1970 CB VAL C 604 -3.093 12.107 -6.132 1.00 0.00 C ATOM 1971 CG1 VAL C 604 -4.563 11.683 -6.167 1.00 0.00 C ATOM 1972 CG2 VAL C 604 -2.168 10.889 -6.162 1.00 0.00 C ATOM 0 H VAL C 604 -4.033 11.951 -8.475 1.00 0.00 H new ATOM 0 HA VAL C 604 -3.093 14.101 -6.976 1.00 0.00 H new ATOM 0 HB VAL C 604 -2.927 12.629 -5.190 1.00 0.00 H new ATOM 0 HG11 VAL C 604 -4.759 10.984 -5.354 1.00 0.00 H new ATOM 0 HG12 VAL C 604 -5.198 12.561 -6.052 1.00 0.00 H new ATOM 0 HG13 VAL C 604 -4.780 11.201 -7.120 1.00 0.00 H new ATOM 0 HG21 VAL C 604 -2.434 10.210 -5.352 1.00 0.00 H new ATOM 0 HG22 VAL C 604 -2.275 10.374 -7.117 1.00 0.00 H new ATOM 0 HG23 VAL C 604 -1.135 11.214 -6.039 1.00 0.00 H new ATOM 1982 N LYS C 605 -0.774 12.375 -8.461 1.00 0.00 N ATOM 1983 CA LYS C 605 0.649 12.294 -8.780 1.00 0.00 C ATOM 1984 C LYS C 605 1.106 13.534 -9.536 1.00 0.00 C ATOM 1985 O LYS C 605 2.099 14.160 -9.172 1.00 0.00 O ATOM 1986 CB LYS C 605 0.941 11.032 -9.606 1.00 0.00 C ATOM 1987 CG LYS C 605 1.147 9.778 -8.763 1.00 0.00 C ATOM 1988 CD LYS C 605 1.803 8.656 -9.561 1.00 0.00 C ATOM 1989 CE LYS C 605 1.031 8.328 -10.836 1.00 0.00 C ATOM 1990 NZ LYS C 605 1.493 9.144 -11.994 1.00 0.00 N ATOM 0 H LYS C 605 -1.368 11.793 -9.052 1.00 0.00 H new ATOM 0 HA LYS C 605 1.204 12.238 -7.844 1.00 0.00 H new ATOM 0 HB2 LYS C 605 0.115 10.862 -10.297 1.00 0.00 H new ATOM 0 HB3 LYS C 605 1.832 11.203 -10.210 1.00 0.00 H new ATOM 0 HG2 LYS C 605 1.767 10.019 -7.899 1.00 0.00 H new ATOM 0 HG3 LYS C 605 0.185 9.436 -8.380 1.00 0.00 H new ATOM 0 HD2 LYS C 605 2.822 8.944 -9.819 1.00 0.00 H new ATOM 0 HD3 LYS C 605 1.872 7.763 -8.940 1.00 0.00 H new ATOM 0 HE2 LYS C 605 1.148 7.270 -11.069 1.00 0.00 H new ATOM 0 HE3 LYS C 605 -0.032 8.502 -10.671 1.00 0.00 H new ATOM 0 HZ1 LYS C 605 0.724 9.771 -12.305 1.00 0.00 H new ATOM 0 HZ2 LYS C 605 2.314 9.716 -11.710 1.00 0.00 H new ATOM 0 HZ3 LYS C 605 1.764 8.514 -12.776 1.00 0.00 H new ATOM 2004 N ARG C 606 0.373 13.891 -10.578 1.00 0.00 N ATOM 2005 CA ARG C 606 0.709 15.066 -11.367 1.00 0.00 C ATOM 2006 C ARG C 606 0.636 16.326 -10.510 1.00 0.00 C ATOM 2007 O ARG C 606 1.337 17.304 -10.766 1.00 0.00 O ATOM 2008 CB ARG C 606 -0.233 15.187 -12.567 1.00 0.00 C ATOM 2009 CG ARG C 606 0.248 16.175 -13.619 1.00 0.00 C ATOM 2010 CD ARG C 606 -0.521 16.022 -14.921 1.00 0.00 C ATOM 2011 NE ARG C 606 -0.076 16.971 -15.937 1.00 0.00 N ATOM 2012 CZ ARG C 606 -0.481 16.943 -17.205 1.00 0.00 C ATOM 2013 NH1 ARG C 606 -1.340 16.017 -17.614 1.00 0.00 N ATOM 2014 NH2 ARG C 606 -0.027 17.842 -18.067 1.00 0.00 N ATOM 0 H ARG C 606 -0.455 13.387 -10.896 1.00 0.00 H new ATOM 0 HA ARG C 606 1.730 14.955 -11.732 1.00 0.00 H new ATOM 0 HB2 ARG C 606 -0.350 14.206 -13.028 1.00 0.00 H new ATOM 0 HB3 ARG C 606 -1.218 15.493 -12.216 1.00 0.00 H new ATOM 0 HG2 ARG C 606 0.132 17.192 -13.244 1.00 0.00 H new ATOM 0 HG3 ARG C 606 1.311 16.023 -13.803 1.00 0.00 H new ATOM 0 HD2 ARG C 606 -0.399 15.006 -15.296 1.00 0.00 H new ATOM 0 HD3 ARG C 606 -1.585 16.166 -14.732 1.00 0.00 H new ATOM 0 HE ARG C 606 0.584 17.698 -15.659 1.00 0.00 H new ATOM 0 HH11 ARG C 606 -1.693 15.322 -16.956 1.00 0.00 H new ATOM 0 HH12 ARG C 606 -1.647 16.000 -18.587 1.00 0.00 H new ATOM 0 HH21 ARG C 606 0.633 18.556 -17.759 1.00 0.00 H new ATOM 0 HH22 ARG C 606 -0.338 17.820 -19.038 1.00 0.00 H new ATOM 2028 N GLN C 607 -0.225 16.295 -9.495 1.00 0.00 N ATOM 2029 CA GLN C 607 -0.403 17.434 -8.599 1.00 0.00 C ATOM 2030 C GLN C 607 0.707 17.516 -7.548 1.00 0.00 C ATOM 2031 O GLN C 607 1.367 18.545 -7.420 1.00 0.00 O ATOM 2032 CB GLN C 607 -1.775 17.363 -7.919 1.00 0.00 C ATOM 2033 CG GLN C 607 -2.891 17.982 -8.749 1.00 0.00 C ATOM 2034 CD GLN C 607 -4.270 17.662 -8.209 1.00 0.00 C ATOM 2035 OE1 GLN C 607 -4.607 16.379 -8.174 1.00 0.00 O flip ATOM 2036 NE2 GLN C 607 -5.023 18.557 -7.828 1.00 0.00 N flip ATOM 0 H GLN C 607 -0.812 15.491 -9.273 1.00 0.00 H new ATOM 0 HA GLN C 607 -0.347 18.339 -9.204 1.00 0.00 H new ATOM 0 HB2 GLN C 607 -2.018 16.320 -7.716 1.00 0.00 H new ATOM 0 HB3 GLN C 607 -1.723 17.872 -6.956 1.00 0.00 H new ATOM 0 HG2 GLN C 607 -2.759 19.064 -8.778 1.00 0.00 H new ATOM 0 HG3 GLN C 607 -2.816 17.624 -9.776 1.00 0.00 H new ATOM 0 HE21 GLN C 607 -4.722 19.530 -7.873 1.00 0.00 H new ATOM 0 HE22 GLN C 607 -5.948 18.326 -7.467 1.00 0.00 H new ATOM 2045 N ALA C 608 0.920 16.438 -6.785 1.00 0.00 N ATOM 2046 CA ALA C 608 1.954 16.416 -5.754 1.00 0.00 C ATOM 2047 C ALA C 608 3.276 16.974 -6.274 1.00 0.00 C ATOM 2048 O ALA C 608 4.040 17.594 -5.536 1.00 0.00 O ATOM 2049 CB ALA C 608 2.142 14.990 -5.257 1.00 0.00 C ATOM 0 H ALA C 608 0.388 15.571 -6.865 1.00 0.00 H new ATOM 0 HA ALA C 608 1.632 17.053 -4.930 1.00 0.00 H new ATOM 0 HB1 ALA C 608 2.914 14.972 -4.487 1.00 0.00 H new ATOM 0 HB2 ALA C 608 1.204 14.624 -4.839 1.00 0.00 H new ATOM 0 HB3 ALA C 608 2.443 14.352 -6.088 1.00 0.00 H new ATOM 2055 N MET C 609 3.533 16.745 -7.552 1.00 0.00 N ATOM 2056 CA MET C 609 4.763 17.227 -8.167 1.00 0.00 C ATOM 2057 C MET C 609 4.754 18.753 -8.292 1.00 0.00 C ATOM 2058 O MET C 609 5.797 19.391 -8.147 1.00 0.00 O ATOM 2059 CB MET C 609 4.995 16.586 -9.537 1.00 0.00 C ATOM 2060 CG MET C 609 5.160 15.066 -9.497 1.00 0.00 C ATOM 2061 SD MET C 609 6.539 14.476 -10.504 1.00 0.00 S ATOM 2062 CE MET C 609 5.833 14.583 -12.146 1.00 0.00 C ATOM 0 H MET C 609 2.914 16.233 -8.180 1.00 0.00 H new ATOM 0 HA MET C 609 5.585 16.936 -7.514 1.00 0.00 H new ATOM 0 HB2 MET C 609 4.156 16.832 -10.188 1.00 0.00 H new ATOM 0 HB3 MET C 609 5.886 17.025 -9.985 1.00 0.00 H new ATOM 0 HG2 MET C 609 5.310 14.750 -8.465 1.00 0.00 H new ATOM 0 HG3 MET C 609 4.239 14.597 -9.843 1.00 0.00 H new ATOM 0 HE1 MET C 609 6.567 14.251 -12.880 1.00 0.00 H new ATOM 0 HE2 MET C 609 4.949 13.948 -12.204 1.00 0.00 H new ATOM 0 HE3 MET C 609 5.552 15.615 -12.355 1.00 0.00 H new ATOM 2072 N THR C 610 3.583 19.344 -8.532 1.00 0.00 N ATOM 2073 CA THR C 610 3.488 20.800 -8.633 1.00 0.00 C ATOM 2074 C THR C 610 3.813 21.414 -7.274 1.00 0.00 C ATOM 2075 O THR C 610 4.446 22.466 -7.189 1.00 0.00 O ATOM 2076 CB THR C 610 2.089 21.237 -9.106 1.00 0.00 C ATOM 2077 OG1 THR C 610 1.177 20.160 -9.041 1.00 0.00 O ATOM 2078 CG2 THR C 610 2.066 21.765 -10.525 1.00 0.00 C ATOM 0 H THR C 610 2.701 18.847 -8.658 1.00 0.00 H new ATOM 0 HA THR C 610 4.205 21.152 -9.375 1.00 0.00 H new ATOM 0 HB THR C 610 1.803 22.043 -8.431 1.00 0.00 H new ATOM 0 HG1 THR C 610 1.154 19.805 -8.128 1.00 0.00 H new ATOM 0 HG21 THR C 610 1.049 22.053 -10.789 1.00 0.00 H new ATOM 0 HG22 THR C 610 2.721 22.633 -10.601 1.00 0.00 H new ATOM 0 HG23 THR C 610 2.412 20.989 -11.208 1.00 0.00 H new ATOM 2086 N GLU C 611 3.399 20.731 -6.216 1.00 0.00 N ATOM 2087 CA GLU C 611 3.675 21.197 -4.863 1.00 0.00 C ATOM 2088 C GLU C 611 5.186 21.191 -4.619 1.00 0.00 C ATOM 2089 O GLU C 611 5.702 21.929 -3.782 1.00 0.00 O ATOM 2090 CB GLU C 611 2.963 20.313 -3.834 1.00 0.00 C ATOM 2091 CG GLU C 611 1.463 20.544 -3.766 1.00 0.00 C ATOM 2092 CD GLU C 611 1.109 21.897 -3.180 1.00 0.00 C ATOM 2093 OE1 GLU C 611 1.103 22.889 -3.938 1.00 0.00 O ATOM 2094 OE2 GLU C 611 0.838 21.964 -1.963 1.00 0.00 O ATOM 0 H GLU C 611 2.874 19.858 -6.266 1.00 0.00 H new ATOM 0 HA GLU C 611 3.299 22.214 -4.753 1.00 0.00 H new ATOM 0 HB2 GLU C 611 3.150 19.267 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU C 611 3.395 20.496 -2.850 1.00 0.00 H new ATOM 0 HG2 GLU C 611 1.041 20.464 -4.768 1.00 0.00 H new ATOM 0 HG3 GLU C 611 1.005 19.760 -3.163 1.00 0.00 H new ATOM 2101 N LEU C 612 5.878 20.339 -5.375 1.00 0.00 N ATOM 2102 CA LEU C 612 7.329 20.201 -5.278 1.00 0.00 C ATOM 2103 C LEU C 612 8.031 21.167 -6.226 1.00 0.00 C ATOM 2104 O LEU C 612 8.928 21.908 -5.824 1.00 0.00 O ATOM 2105 CB LEU C 612 7.744 18.750 -5.581 1.00 0.00 C ATOM 2106 CG LEU C 612 8.332 17.975 -4.393 1.00 0.00 C ATOM 2107 CD1 LEU C 612 9.789 18.371 -4.160 1.00 0.00 C ATOM 2108 CD2 LEU C 612 7.498 18.176 -3.127 1.00 0.00 C ATOM 0 H LEU C 612 5.449 19.727 -6.070 1.00 0.00 H new ATOM 0 HA LEU C 612 7.632 20.448 -4.260 1.00 0.00 H new ATOM 0 HB2 LEU C 612 6.872 18.210 -5.951 1.00 0.00 H new ATOM 0 HB3 LEU C 612 8.478 18.760 -6.387 1.00 0.00 H new ATOM 0 HG LEU C 612 8.302 16.913 -4.638 1.00 0.00 H new ATOM 0 HD11 LEU C 612 10.187 17.811 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU C 612 10.374 18.147 -5.052 1.00 0.00 H new ATOM 0 HD13 LEU C 612 9.846 19.439 -3.948 1.00 0.00 H new ATOM 0 HD21 LEU C 612 7.942 17.614 -2.306 1.00 0.00 H new ATOM 0 HD22 LEU C 612 7.475 19.235 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU C 612 6.482 17.823 -3.301 1.00 0.00 H new ATOM 2120 N GLN C 613 7.622 21.143 -7.487 1.00 0.00 N ATOM 2121 CA GLN C 613 8.213 22.007 -8.500 1.00 0.00 C ATOM 2122 C GLN C 613 8.189 23.474 -8.060 1.00 0.00 C ATOM 2123 O GLN C 613 8.984 24.284 -8.537 1.00 0.00 O ATOM 2124 CB GLN C 613 7.471 21.845 -9.838 1.00 0.00 C ATOM 2125 CG GLN C 613 8.112 20.837 -10.784 1.00 0.00 C ATOM 2126 CD GLN C 613 9.292 21.415 -11.540 1.00 0.00 C ATOM 2127 OE1 GLN C 613 9.143 21.941 -12.643 1.00 0.00 O ATOM 2128 NE2 GLN C 613 10.475 21.317 -10.947 1.00 0.00 N ATOM 0 H GLN C 613 6.882 20.533 -7.834 1.00 0.00 H new ATOM 0 HA GLN C 613 9.253 21.709 -8.630 1.00 0.00 H new ATOM 0 HB2 GLN C 613 6.445 21.538 -9.638 1.00 0.00 H new ATOM 0 HB3 GLN C 613 7.423 22.814 -10.335 1.00 0.00 H new ATOM 0 HG2 GLN C 613 8.441 19.968 -10.214 1.00 0.00 H new ATOM 0 HG3 GLN C 613 7.365 20.487 -11.496 1.00 0.00 H new ATOM 0 HE21 GLN C 613 10.552 20.873 -10.032 1.00 0.00 H new ATOM 0 HE22 GLN C 613 11.308 21.686 -11.406 1.00 0.00 H new