USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 760 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 41 HIS : no HD1:sc= -0.916 K(o=-2.1,f=-3.3!) USER MOD Set 1.2: A 68 GLN : amide:sc= -0.841 K(o=-2.1,f=-4.2!) USER MOD Set 1.3: A 71 CYS SG : rot 110:sc= -0.388 USER MOD Set 2.1: A 10 HIS : no HD1:sc= -1.12 K(o=-1.6,f=-2.7) USER MOD Set 2.2: A 14 HIS : no HD1:sc= -0.471 X(o=-1.6,f=-1.2) USER MOD Single : A 12 MET CE :methyl 158:sc= -0.757 (180deg=-1.52) USER MOD Single : A 21 SER OG : rot 80:sc= -0.679 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.403 K(o=-0.4,f=-2.9) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -162:sc= -0.0856 (180deg=-0.477) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 137:sc= -0.359 (180deg=-2.96!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.21 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.855 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc=-0.000855 X(o=-0.00085,f=-0.00085) USER MOD Single : A 58 GLN : amide:sc= -1.41 X(o=-1.4,f=-1.7) USER MOD Single : A 60 TYR OH : rot 7:sc= -2.17! USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot -109:sc= 0.419 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.9) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.0034 K(o=-0.0034,f=-0.64) USER MOD Single : A 90 TYR OH : rot 67:sc= 0.705 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 HIS : no HD1:sc= -0.419 X(o=-0.42,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N ILE A 7 5.030 -8.854 -13.391 1.00 0.00 N ATOM 106 CA ILE A 7 4.842 -7.551 -12.733 1.00 0.00 C ATOM 107 C ILE A 7 4.305 -7.758 -11.309 1.00 0.00 C ATOM 108 O ILE A 7 3.212 -7.357 -10.906 1.00 0.00 O ATOM 109 CB ILE A 7 4.063 -6.559 -13.640 1.00 0.00 C ATOM 110 CG1 ILE A 7 4.653 -5.142 -13.549 1.00 0.00 C ATOM 111 CG2 ILE A 7 2.529 -6.527 -13.533 1.00 0.00 C ATOM 112 CD1 ILE A 7 4.864 -4.554 -12.145 1.00 0.00 C ATOM 0 HA ILE A 7 5.798 -7.046 -12.596 1.00 0.00 H new ATOM 0 HB ILE A 7 4.219 -6.982 -14.632 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.615 -5.144 -14.062 1.00 0.00 H new ATOM 0 HG13 ILE A 7 3.998 -4.468 -14.102 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.131 -5.786 -14.227 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.126 -7.509 -13.781 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.241 -6.263 -12.516 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.285 -3.552 -12.230 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.908 -4.503 -11.624 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.549 -5.189 -11.584 1.00 0.00 H new ATOM 124 N LEU A 8 5.105 -8.488 -10.545 1.00 0.00 N ATOM 125 CA LEU A 8 4.805 -8.720 -9.124 1.00 0.00 C ATOM 126 C LEU A 8 4.341 -7.452 -8.392 1.00 0.00 C ATOM 127 O LEU A 8 4.951 -6.388 -8.495 1.00 0.00 O ATOM 128 CB LEU A 8 6.046 -9.282 -8.432 1.00 0.00 C ATOM 129 CG LEU A 8 5.963 -10.762 -8.074 1.00 0.00 C ATOM 130 CD1 LEU A 8 4.725 -11.000 -7.225 1.00 0.00 C ATOM 131 CD2 LEU A 8 5.999 -11.652 -9.313 1.00 0.00 C ATOM 0 H LEU A 8 5.963 -8.931 -10.875 1.00 0.00 H new ATOM 0 HA LEU A 8 3.980 -9.431 -9.082 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.908 -9.127 -9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.226 -8.712 -7.521 1.00 0.00 H new ATOM 0 HG LEU A 8 6.842 -11.037 -7.491 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.659 -12.057 -6.965 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.789 -10.406 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.837 -10.709 -7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.938 -12.698 -9.012 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.155 -11.410 -9.959 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.930 -11.485 -9.854 1.00 0.00 H new ATOM 143 N TRP A 9 3.230 -7.600 -7.676 1.00 0.00 N ATOM 144 CA TRP A 9 2.649 -6.471 -6.924 1.00 0.00 C ATOM 145 C TRP A 9 3.498 -6.035 -5.742 1.00 0.00 C ATOM 146 O TRP A 9 3.927 -4.897 -5.733 1.00 0.00 O ATOM 147 CB TRP A 9 1.221 -6.702 -6.449 1.00 0.00 C ATOM 148 CG TRP A 9 0.212 -6.616 -7.595 1.00 0.00 C ATOM 149 CD1 TRP A 9 0.347 -5.984 -8.766 1.00 0.00 C ATOM 150 CD2 TRP A 9 -1.055 -7.139 -7.545 1.00 0.00 C ATOM 151 NE1 TRP A 9 -0.792 -6.084 -9.446 1.00 0.00 N ATOM 152 CE2 TRP A 9 -1.672 -6.781 -8.746 1.00 0.00 C ATOM 153 CE3 TRP A 9 -1.765 -7.803 -6.551 1.00 0.00 C ATOM 154 CZ2 TRP A 9 -3.007 -7.101 -8.939 1.00 0.00 C ATOM 155 CZ3 TRP A 9 -3.105 -8.084 -6.734 1.00 0.00 C ATOM 156 CH2 TRP A 9 -3.727 -7.732 -7.937 1.00 0.00 C ATOM 0 H TRP A 9 2.713 -8.475 -7.595 1.00 0.00 H new ATOM 0 HA TRP A 9 2.630 -5.670 -7.663 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.150 -7.682 -5.977 1.00 0.00 H new ATOM 0 HB3 TRP A 9 0.969 -5.963 -5.688 1.00 0.00 H new ATOM 0 HD1 TRP A 9 1.237 -5.475 -9.105 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.961 -5.683 -10.369 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -1.270 -8.098 -5.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.488 -6.857 -9.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -3.669 -8.572 -5.953 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -4.774 -7.953 -8.085 1.00 0.00 H new ATOM 167 N HIS A 10 3.985 -7.011 -4.978 1.00 0.00 N ATOM 168 CA HIS A 10 4.918 -6.767 -3.858 1.00 0.00 C ATOM 169 C HIS A 10 6.151 -5.934 -4.281 1.00 0.00 C ATOM 170 O HIS A 10 6.584 -5.065 -3.539 1.00 0.00 O ATOM 171 CB HIS A 10 5.268 -8.122 -3.220 1.00 0.00 C ATOM 172 CG HIS A 10 6.708 -8.632 -3.409 1.00 0.00 C ATOM 173 ND1 HIS A 10 7.632 -8.685 -2.457 1.00 0.00 N ATOM 174 CD2 HIS A 10 7.274 -8.978 -4.557 1.00 0.00 C ATOM 175 CE1 HIS A 10 8.780 -9.059 -3.030 1.00 0.00 C ATOM 176 NE2 HIS A 10 8.559 -9.218 -4.328 1.00 0.00 N ATOM 0 H HIS A 10 3.750 -7.995 -5.110 1.00 0.00 H new ATOM 0 HA HIS A 10 4.436 -6.145 -3.103 1.00 0.00 H new ATOM 0 HB2 HIS A 10 5.070 -8.054 -2.150 1.00 0.00 H new ATOM 0 HB3 HIS A 10 4.587 -8.872 -3.623 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.776 -9.052 -5.512 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.723 -9.206 -2.524 1.00 0.00 H new ATOM 0 HE2 HIS A 10 9.254 -9.479 -5.027 1.00 0.00 H new ATOM 184 N GLU A 11 6.543 -6.082 -5.549 1.00 0.00 N ATOM 185 CA GLU A 11 7.656 -5.338 -6.174 1.00 0.00 C ATOM 186 C GLU A 11 7.352 -3.835 -6.233 1.00 0.00 C ATOM 187 O GLU A 11 8.006 -3.048 -5.546 1.00 0.00 O ATOM 188 CB GLU A 11 7.904 -5.874 -7.585 1.00 0.00 C ATOM 189 CG GLU A 11 8.600 -7.235 -7.560 1.00 0.00 C ATOM 190 CD GLU A 11 10.064 -7.143 -7.982 1.00 0.00 C ATOM 191 OE1 GLU A 11 10.299 -6.640 -9.103 1.00 0.00 O ATOM 192 OE2 GLU A 11 10.903 -7.627 -7.196 1.00 0.00 O ATOM 0 H GLU A 11 6.090 -6.735 -6.189 1.00 0.00 H new ATOM 0 HA GLU A 11 8.549 -5.480 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.954 -5.961 -8.113 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.515 -5.163 -8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 11 8.539 -7.654 -6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.075 -7.922 -8.224 1.00 0.00 H new ATOM 199 N MET A 12 6.203 -3.513 -6.829 1.00 0.00 N ATOM 200 CA MET A 12 5.702 -2.129 -6.880 1.00 0.00 C ATOM 201 C MET A 12 5.194 -1.668 -5.505 1.00 0.00 C ATOM 202 O MET A 12 5.087 -0.477 -5.283 1.00 0.00 O ATOM 203 CB MET A 12 4.605 -1.927 -7.938 1.00 0.00 C ATOM 204 CG MET A 12 3.238 -2.523 -7.568 1.00 0.00 C ATOM 205 SD MET A 12 1.878 -2.099 -8.711 1.00 0.00 S ATOM 206 CE MET A 12 2.348 -3.108 -10.094 1.00 0.00 C ATOM 0 H MET A 12 5.595 -4.192 -7.287 1.00 0.00 H new ATOM 0 HA MET A 12 6.553 -1.514 -7.172 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.484 -0.859 -8.117 1.00 0.00 H new ATOM 0 HB3 MET A 12 4.938 -2.371 -8.876 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.331 -3.608 -7.524 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.970 -2.185 -6.567 1.00 0.00 H new ATOM 0 HE1 MET A 12 1.476 -3.295 -10.721 1.00 0.00 H new ATOM 0 HE2 MET A 12 3.111 -2.593 -10.677 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.746 -4.057 -9.734 1.00 0.00 H new ATOM 216 N TRP A 13 4.740 -2.608 -4.676 1.00 0.00 N ATOM 217 CA TRP A 13 4.197 -2.336 -3.339 1.00 0.00 C ATOM 218 C TRP A 13 5.270 -1.879 -2.355 1.00 0.00 C ATOM 219 O TRP A 13 5.121 -0.813 -1.780 1.00 0.00 O ATOM 220 CB TRP A 13 3.411 -3.517 -2.765 1.00 0.00 C ATOM 221 CG TRP A 13 1.909 -3.207 -2.625 1.00 0.00 C ATOM 222 CD1 TRP A 13 0.933 -4.107 -2.742 1.00 0.00 C ATOM 223 CD2 TRP A 13 1.310 -2.002 -2.310 1.00 0.00 C ATOM 224 NE1 TRP A 13 -0.241 -3.531 -2.492 1.00 0.00 N ATOM 225 CE2 TRP A 13 -0.064 -2.251 -2.224 1.00 0.00 C ATOM 226 CE3 TRP A 13 1.787 -0.750 -1.955 1.00 0.00 C ATOM 227 CZ2 TRP A 13 -0.916 -1.257 -1.764 1.00 0.00 C ATOM 228 CZ3 TRP A 13 0.945 0.212 -1.445 1.00 0.00 C ATOM 229 CH2 TRP A 13 -0.423 -0.039 -1.345 1.00 0.00 C ATOM 0 H TRP A 13 4.738 -3.599 -4.917 1.00 0.00 H new ATOM 0 HA TRP A 13 3.496 -1.512 -3.476 1.00 0.00 H new ATOM 0 HB2 TRP A 13 3.542 -4.386 -3.410 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.818 -3.781 -1.789 1.00 0.00 H new ATOM 0 HD1 TRP A 13 1.073 -5.146 -3.000 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.143 -4.008 -2.506 1.00 0.00 H new ATOM 0 HE3 TRP A 13 2.836 -0.526 -2.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.980 -1.440 -1.734 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 1.344 1.162 -1.122 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.088 0.711 -0.944 1.00 0.00 H new ATOM 240 N HIS A 14 6.441 -2.503 -2.434 1.00 0.00 N ATOM 241 CA HIS A 14 7.607 -2.131 -1.610 1.00 0.00 C ATOM 242 C HIS A 14 7.955 -0.639 -1.765 1.00 0.00 C ATOM 243 O HIS A 14 7.674 0.171 -0.883 1.00 0.00 O ATOM 244 CB HIS A 14 8.809 -3.002 -1.990 1.00 0.00 C ATOM 245 CG HIS A 14 8.718 -4.483 -1.586 1.00 0.00 C ATOM 246 ND1 HIS A 14 9.651 -5.365 -1.909 1.00 0.00 N ATOM 247 CD2 HIS A 14 7.911 -5.056 -0.698 1.00 0.00 C ATOM 248 CE1 HIS A 14 9.470 -6.438 -1.142 1.00 0.00 C ATOM 249 NE2 HIS A 14 8.362 -6.282 -0.427 1.00 0.00 N ATOM 0 H HIS A 14 6.618 -3.282 -3.068 1.00 0.00 H new ATOM 0 HA HIS A 14 7.353 -2.302 -0.564 1.00 0.00 H new ATOM 0 HB2 HIS A 14 8.946 -2.948 -3.070 1.00 0.00 H new ATOM 0 HB3 HIS A 14 9.702 -2.575 -1.533 1.00 0.00 H new ATOM 0 HD2 HIS A 14 7.032 -4.602 -0.266 1.00 0.00 H new ATOM 0 HE1 HIS A 14 10.121 -7.299 -1.107 1.00 0.00 H new ATOM 0 HE2 HIS A 14 7.940 -6.964 0.204 1.00 0.00 H new ATOM 257 N GLU A 15 8.237 -0.263 -3.013 1.00 0.00 N ATOM 258 CA GLU A 15 8.543 1.137 -3.362 1.00 0.00 C ATOM 259 C GLU A 15 7.312 2.037 -3.447 1.00 0.00 C ATOM 260 O GLU A 15 7.377 3.183 -3.022 1.00 0.00 O ATOM 261 CB GLU A 15 9.324 1.260 -4.665 1.00 0.00 C ATOM 262 CG GLU A 15 10.756 0.759 -4.493 1.00 0.00 C ATOM 263 CD GLU A 15 11.587 1.184 -5.701 1.00 0.00 C ATOM 264 OE1 GLU A 15 11.514 0.462 -6.718 1.00 0.00 O ATOM 265 OE2 GLU A 15 12.210 2.263 -5.599 1.00 0.00 O ATOM 0 H GLU A 15 8.261 -0.905 -3.805 1.00 0.00 H new ATOM 0 HA GLU A 15 9.160 1.481 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.826 0.687 -5.447 1.00 0.00 H new ATOM 0 HB3 GLU A 15 9.335 2.300 -4.990 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.188 1.165 -3.579 1.00 0.00 H new ATOM 0 HG3 GLU A 15 10.765 -0.327 -4.395 1.00 0.00 H new ATOM 272 N GLY A 16 6.204 1.524 -3.977 1.00 0.00 N ATOM 273 CA GLY A 16 4.921 2.253 -4.038 1.00 0.00 C ATOM 274 C GLY A 16 4.407 2.660 -2.652 1.00 0.00 C ATOM 275 O GLY A 16 3.771 3.701 -2.509 1.00 0.00 O ATOM 0 H GLY A 16 6.161 0.588 -4.380 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.043 3.145 -4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.175 1.628 -4.529 1.00 0.00 H new ATOM 279 N LEU A 17 4.744 1.858 -1.648 1.00 0.00 N ATOM 280 CA LEU A 17 4.545 2.210 -0.239 1.00 0.00 C ATOM 281 C LEU A 17 5.567 3.238 0.237 1.00 0.00 C ATOM 282 O LEU A 17 5.145 4.215 0.815 1.00 0.00 O ATOM 283 CB LEU A 17 4.577 0.965 0.634 1.00 0.00 C ATOM 284 CG LEU A 17 3.162 0.500 0.962 1.00 0.00 C ATOM 285 CD1 LEU A 17 3.067 -1.024 0.964 1.00 0.00 C ATOM 286 CD2 LEU A 17 2.797 1.002 2.349 1.00 0.00 C ATOM 0 H LEU A 17 5.166 0.939 -1.785 1.00 0.00 H new ATOM 0 HA LEU A 17 3.560 2.669 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.117 0.169 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.119 1.175 1.556 1.00 0.00 H new ATOM 0 HG LEU A 17 2.484 0.893 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.046 -1.325 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.339 -1.407 -0.020 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.748 -1.430 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.787 0.678 2.599 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.499 0.598 3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.843 2.091 2.366 1.00 0.00 H new ATOM 298 N GLU A 18 6.803 3.194 -0.259 1.00 0.00 N ATOM 299 CA GLU A 18 7.806 4.226 0.064 1.00 0.00 C ATOM 300 C GLU A 18 7.465 5.565 -0.615 1.00 0.00 C ATOM 301 O GLU A 18 7.265 6.543 0.083 1.00 0.00 O ATOM 302 CB GLU A 18 9.216 3.762 -0.308 1.00 0.00 C ATOM 303 CG GLU A 18 10.270 4.789 0.121 1.00 0.00 C ATOM 304 CD GLU A 18 11.650 4.393 -0.396 1.00 0.00 C ATOM 305 OE1 GLU A 18 11.930 4.730 -1.567 1.00 0.00 O ATOM 306 OE2 GLU A 18 12.380 3.749 0.387 1.00 0.00 O ATOM 0 H GLU A 18 7.139 2.461 -0.884 1.00 0.00 H new ATOM 0 HA GLU A 18 7.782 4.385 1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.424 2.804 0.168 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.277 3.603 -1.385 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.002 5.774 -0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.291 4.864 1.208 1.00 0.00 H new ATOM 313 N GLU A 19 7.163 5.552 -1.911 1.00 0.00 N ATOM 314 CA GLU A 19 6.774 6.753 -2.675 1.00 0.00 C ATOM 315 C GLU A 19 5.479 7.386 -2.124 1.00 0.00 C ATOM 316 O GLU A 19 5.273 8.586 -2.258 1.00 0.00 O ATOM 317 CB GLU A 19 6.655 6.397 -4.166 1.00 0.00 C ATOM 318 CG GLU A 19 6.537 7.628 -5.082 1.00 0.00 C ATOM 319 CD GLU A 19 7.797 8.497 -5.209 1.00 0.00 C ATOM 320 OE1 GLU A 19 8.704 8.362 -4.360 1.00 0.00 O ATOM 321 OE2 GLU A 19 7.811 9.329 -6.141 1.00 0.00 O ATOM 0 H GLU A 19 7.179 4.702 -2.474 1.00 0.00 H new ATOM 0 HA GLU A 19 7.551 7.509 -2.562 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.527 5.815 -4.463 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.782 5.761 -4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.252 7.289 -6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.724 8.254 -4.713 1.00 0.00 H new ATOM 328 N ALA A 20 4.638 6.564 -1.496 1.00 0.00 N ATOM 329 CA ALA A 20 3.412 7.001 -0.796 1.00 0.00 C ATOM 330 C ALA A 20 3.676 7.454 0.644 1.00 0.00 C ATOM 331 O ALA A 20 3.608 8.642 0.958 1.00 0.00 O ATOM 332 CB ALA A 20 2.370 5.882 -0.795 1.00 0.00 C ATOM 0 H ALA A 20 4.785 5.556 -1.454 1.00 0.00 H new ATOM 0 HA ALA A 20 3.035 7.863 -1.346 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.473 6.220 -0.276 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.117 5.619 -1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.776 5.007 -0.286 1.00 0.00 H new ATOM 338 N SER A 21 4.138 6.518 1.460 1.00 0.00 N ATOM 339 CA SER A 21 4.500 6.723 2.872 1.00 0.00 C ATOM 340 C SER A 21 5.516 7.854 3.034 1.00 0.00 C ATOM 341 O SER A 21 5.409 8.555 4.025 1.00 0.00 O ATOM 342 CB SER A 21 5.052 5.454 3.537 1.00 0.00 C ATOM 343 OG SER A 21 4.083 4.402 3.476 1.00 0.00 O ATOM 0 H SER A 21 4.280 5.555 1.154 1.00 0.00 H new ATOM 0 HA SER A 21 3.571 6.993 3.374 1.00 0.00 H new ATOM 0 HB2 SER A 21 5.969 5.143 3.037 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.309 5.661 4.576 1.00 0.00 H new ATOM 0 HG SER A 21 4.103 3.990 2.587 1.00 0.00 H new ATOM 349 N ARG A 22 6.318 8.156 2.008 1.00 0.00 N ATOM 350 CA ARG A 22 7.265 9.296 1.984 1.00 0.00 C ATOM 351 C ARG A 22 6.584 10.652 1.748 1.00 0.00 C ATOM 352 O ARG A 22 6.891 11.620 2.446 1.00 0.00 O ATOM 353 CB ARG A 22 8.378 9.100 0.949 1.00 0.00 C ATOM 354 CG ARG A 22 9.438 10.201 1.037 1.00 0.00 C ATOM 355 CD ARG A 22 10.660 9.885 0.184 1.00 0.00 C ATOM 356 NE ARG A 22 10.389 9.957 -1.262 1.00 0.00 N ATOM 357 CZ ARG A 22 11.313 9.779 -2.210 1.00 0.00 C ATOM 358 NH1 ARG A 22 12.564 9.469 -1.900 1.00 0.00 N ATOM 359 NH2 ARG A 22 11.006 9.894 -3.490 1.00 0.00 N ATOM 0 H ARG A 22 6.334 7.608 1.148 1.00 0.00 H new ATOM 0 HA ARG A 22 7.702 9.313 2.982 1.00 0.00 H new ATOM 0 HB2 ARG A 22 8.849 8.129 1.102 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.946 9.091 -0.052 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.005 11.148 0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.744 10.328 2.076 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.460 10.582 0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 22 11.020 8.886 0.431 1.00 0.00 H new ATOM 0 HE ARG A 22 9.434 10.156 -1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 22 12.836 9.362 -0.923 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.255 9.337 -2.639 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.051 10.122 -3.767 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.724 9.755 -4.201 1.00 0.00 H new ATOM 373 N LEU A 23 5.573 10.658 0.882 1.00 0.00 N ATOM 374 CA LEU A 23 4.737 11.851 0.638 1.00 0.00 C ATOM 375 C LEU A 23 4.021 12.339 1.912 1.00 0.00 C ATOM 376 O LEU A 23 3.602 13.494 2.021 1.00 0.00 O ATOM 377 CB LEU A 23 3.731 11.563 -0.481 1.00 0.00 C ATOM 378 CG LEU A 23 4.081 12.108 -1.877 1.00 0.00 C ATOM 379 CD1 LEU A 23 4.091 13.637 -1.885 1.00 0.00 C ATOM 380 CD2 LEU A 23 5.405 11.578 -2.428 1.00 0.00 C ATOM 0 H LEU A 23 5.304 9.845 0.328 1.00 0.00 H new ATOM 0 HA LEU A 23 5.398 12.659 0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.607 10.483 -0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.766 11.975 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 23 3.294 11.743 -2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.341 13.994 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.106 14.009 -1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.833 14.000 -1.174 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.586 12.005 -3.414 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.217 11.859 -1.757 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.358 10.492 -2.506 1.00 0.00 H new ATOM 392 N TYR A 24 3.972 11.446 2.893 1.00 0.00 N ATOM 393 CA TYR A 24 3.510 11.752 4.251 1.00 0.00 C ATOM 394 C TYR A 24 4.614 11.755 5.326 1.00 0.00 C ATOM 395 O TYR A 24 4.572 12.599 6.218 1.00 0.00 O ATOM 396 CB TYR A 24 2.428 10.737 4.605 1.00 0.00 C ATOM 397 CG TYR A 24 1.706 11.121 5.887 1.00 0.00 C ATOM 398 CD1 TYR A 24 1.275 12.424 6.121 1.00 0.00 C ATOM 399 CD2 TYR A 24 1.433 10.129 6.820 1.00 0.00 C ATOM 400 CE1 TYR A 24 0.543 12.734 7.246 1.00 0.00 C ATOM 401 CE2 TYR A 24 0.715 10.444 7.954 1.00 0.00 C ATOM 402 CZ TYR A 24 0.262 11.738 8.175 1.00 0.00 C ATOM 403 OH TYR A 24 -0.506 11.995 9.255 1.00 0.00 O ATOM 0 H TYR A 24 4.255 10.474 2.771 1.00 0.00 H new ATOM 0 HA TYR A 24 3.132 12.775 4.246 1.00 0.00 H new ATOM 0 HB2 TYR A 24 1.710 10.668 3.788 1.00 0.00 H new ATOM 0 HB3 TYR A 24 2.876 9.750 4.720 1.00 0.00 H new ATOM 0 HD1 TYR A 24 1.518 13.201 5.412 1.00 0.00 H new ATOM 0 HD2 TYR A 24 1.780 9.119 6.658 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.190 13.742 7.405 1.00 0.00 H new ATOM 0 HE2 TYR A 24 0.502 9.674 8.680 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.596 11.181 9.793 1.00 0.00 H new ATOM 413 N PHE A 25 5.657 10.957 5.119 1.00 0.00 N ATOM 414 CA PHE A 25 6.790 10.736 6.041 1.00 0.00 C ATOM 415 C PHE A 25 7.432 12.055 6.483 1.00 0.00 C ATOM 416 O PHE A 25 7.595 12.305 7.673 1.00 0.00 O ATOM 417 CB PHE A 25 7.818 9.857 5.312 1.00 0.00 C ATOM 418 CG PHE A 25 9.075 9.570 6.115 1.00 0.00 C ATOM 419 CD1 PHE A 25 9.043 8.594 7.106 1.00 0.00 C ATOM 420 CD2 PHE A 25 10.245 10.292 5.878 1.00 0.00 C ATOM 421 CE1 PHE A 25 10.164 8.346 7.866 1.00 0.00 C ATOM 422 CE2 PHE A 25 11.369 10.040 6.637 1.00 0.00 C ATOM 423 CZ PHE A 25 11.337 9.068 7.637 1.00 0.00 C ATOM 0 H PHE A 25 5.749 10.414 4.261 1.00 0.00 H new ATOM 0 HA PHE A 25 6.431 10.246 6.946 1.00 0.00 H new ATOM 0 HB2 PHE A 25 7.346 8.911 5.046 1.00 0.00 H new ATOM 0 HB3 PHE A 25 8.100 10.345 4.379 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.138 8.030 7.279 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.271 11.045 5.104 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.136 7.593 8.639 1.00 0.00 H new ATOM 0 HE2 PHE A 25 12.277 10.597 6.456 1.00 0.00 H new ATOM 0 HZ PHE A 25 12.217 8.874 8.232 1.00 0.00 H new ATOM 433 N GLY A 26 7.736 12.871 5.466 1.00 0.00 N ATOM 434 CA GLY A 26 8.282 14.224 5.669 1.00 0.00 C ATOM 435 C GLY A 26 8.026 15.145 4.471 1.00 0.00 C ATOM 436 O GLY A 26 8.869 15.965 4.127 1.00 0.00 O ATOM 0 H GLY A 26 7.613 12.617 4.486 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.836 14.662 6.562 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.355 14.156 5.849 1.00 0.00 H new ATOM 440 N GLU A 27 6.880 14.949 3.822 1.00 0.00 N ATOM 441 CA GLU A 27 6.465 15.816 2.702 1.00 0.00 C ATOM 442 C GLU A 27 5.244 16.683 3.024 1.00 0.00 C ATOM 443 O GLU A 27 5.058 17.720 2.392 1.00 0.00 O ATOM 444 CB GLU A 27 6.170 15.017 1.433 1.00 0.00 C ATOM 445 CG GLU A 27 7.128 15.366 0.295 1.00 0.00 C ATOM 446 CD GLU A 27 8.254 14.337 0.194 1.00 0.00 C ATOM 447 OE1 GLU A 27 9.237 14.485 0.951 1.00 0.00 O ATOM 448 OE2 GLU A 27 8.097 13.421 -0.642 1.00 0.00 O ATOM 0 H GLU A 27 6.220 14.204 4.045 1.00 0.00 H new ATOM 0 HA GLU A 27 7.319 16.472 2.535 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.241 13.952 1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.145 15.209 1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.581 15.406 -0.647 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.550 16.357 0.461 1.00 0.00 H new ATOM 455 N ARG A 28 4.360 16.166 3.885 1.00 0.00 N ATOM 456 CA ARG A 28 3.106 16.830 4.307 1.00 0.00 C ATOM 457 C ARG A 28 2.139 17.015 3.120 1.00 0.00 C ATOM 458 O ARG A 28 1.295 17.909 3.077 1.00 0.00 O ATOM 459 CB ARG A 28 3.420 18.185 4.947 1.00 0.00 C ATOM 460 CG ARG A 28 2.727 18.364 6.291 1.00 0.00 C ATOM 461 CD ARG A 28 2.811 19.842 6.653 1.00 0.00 C ATOM 462 NE ARG A 28 2.610 20.007 8.098 1.00 0.00 N ATOM 463 CZ ARG A 28 2.350 21.155 8.725 1.00 0.00 C ATOM 464 NH1 ARG A 28 2.139 22.283 8.059 1.00 0.00 N ATOM 465 NH2 ARG A 28 2.254 21.173 10.043 1.00 0.00 N ATOM 0 H ARG A 28 4.493 15.254 4.322 1.00 0.00 H new ATOM 0 HA ARG A 28 2.616 16.189 5.040 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.498 18.280 5.081 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.111 18.983 4.272 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.687 18.041 6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.208 17.754 7.055 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.782 20.243 6.362 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.056 20.405 6.104 1.00 0.00 H new ATOM 0 HE ARG A 28 2.675 19.168 8.674 1.00 0.00 H new ATOM 0 HH11 ARG A 28 2.173 22.287 7.040 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.942 23.146 8.566 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.379 20.312 10.575 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.055 22.048 10.528 1.00 0.00 H new ATOM 479 N ASN A 29 2.245 16.075 2.187 1.00 0.00 N ATOM 480 CA ASN A 29 1.396 16.040 0.995 1.00 0.00 C ATOM 481 C ASN A 29 0.763 14.648 0.887 1.00 0.00 C ATOM 482 O ASN A 29 1.076 13.826 0.025 1.00 0.00 O ATOM 483 CB ASN A 29 2.249 16.419 -0.220 1.00 0.00 C ATOM 484 CG ASN A 29 1.397 16.798 -1.432 1.00 0.00 C ATOM 485 OD1 ASN A 29 0.175 16.685 -1.456 1.00 0.00 O ATOM 486 ND2 ASN A 29 2.061 17.200 -2.489 1.00 0.00 N ATOM 0 H ASN A 29 2.922 15.313 2.233 1.00 0.00 H new ATOM 0 HA ASN A 29 0.579 16.759 1.051 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.898 17.255 0.041 1.00 0.00 H new ATOM 0 HB3 ASN A 29 2.897 15.582 -0.481 1.00 0.00 H new ATOM 0 HD21 ASN A 29 1.562 17.425 -3.350 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.076 17.288 -2.450 1.00 0.00 H new ATOM 493 N VAL A 30 -0.205 14.455 1.777 1.00 0.00 N ATOM 494 CA VAL A 30 -1.066 13.250 1.832 1.00 0.00 C ATOM 495 C VAL A 30 -1.832 13.063 0.503 1.00 0.00 C ATOM 496 O VAL A 30 -2.021 11.947 0.026 1.00 0.00 O ATOM 497 CB VAL A 30 -2.004 13.381 3.049 1.00 0.00 C ATOM 498 CG1 VAL A 30 -3.000 12.236 3.181 1.00 0.00 C ATOM 499 CG2 VAL A 30 -1.212 13.399 4.353 1.00 0.00 C ATOM 0 H VAL A 30 -0.428 15.138 2.501 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.461 12.352 1.957 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.540 14.314 2.877 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.625 12.397 4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -3.628 12.195 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.460 11.295 3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.899 13.492 5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.646 12.472 4.448 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.525 14.245 4.350 1.00 0.00 H new ATOM 509 N LYS A 31 -2.054 14.180 -0.187 1.00 0.00 N ATOM 510 CA LYS A 31 -2.663 14.199 -1.529 1.00 0.00 C ATOM 511 C LYS A 31 -1.746 13.527 -2.578 1.00 0.00 C ATOM 512 O LYS A 31 -2.232 12.864 -3.494 1.00 0.00 O ATOM 513 CB LYS A 31 -3.026 15.663 -1.819 1.00 0.00 C ATOM 514 CG LYS A 31 -3.581 15.992 -3.211 1.00 0.00 C ATOM 515 CD LYS A 31 -2.426 16.162 -4.203 1.00 0.00 C ATOM 516 CE LYS A 31 -2.675 17.264 -5.230 1.00 0.00 C ATOM 517 NZ LYS A 31 -3.542 16.828 -6.331 1.00 0.00 N ATOM 0 H LYS A 31 -1.817 15.107 0.166 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.573 13.601 -1.581 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -3.762 15.980 -1.080 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.134 16.269 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.245 15.195 -3.545 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.174 16.905 -3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.512 16.386 -3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.261 15.219 -4.724 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.129 18.122 -4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.720 17.599 -5.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.678 17.614 -6.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.099 16.027 -6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.464 16.533 -5.951 1.00 0.00 H new ATOM 531 N GLY A 32 -0.425 13.615 -2.359 1.00 0.00 N ATOM 532 CA GLY A 32 0.602 13.006 -3.230 1.00 0.00 C ATOM 533 C GLY A 32 0.666 11.478 -3.081 1.00 0.00 C ATOM 534 O GLY A 32 0.505 10.744 -4.056 1.00 0.00 O ATOM 0 H GLY A 32 -0.031 14.117 -1.563 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.389 13.258 -4.269 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.576 13.433 -2.991 1.00 0.00 H new ATOM 538 N MET A 33 0.797 11.016 -1.834 1.00 0.00 N ATOM 539 CA MET A 33 0.773 9.574 -1.495 1.00 0.00 C ATOM 540 C MET A 33 -0.479 8.851 -2.012 1.00 0.00 C ATOM 541 O MET A 33 -0.418 7.712 -2.468 1.00 0.00 O ATOM 542 CB MET A 33 0.901 9.350 0.017 1.00 0.00 C ATOM 543 CG MET A 33 -0.318 9.621 0.901 1.00 0.00 C ATOM 544 SD MET A 33 -0.049 9.227 2.667 1.00 0.00 S ATOM 545 CE MET A 33 0.186 7.463 2.603 1.00 0.00 C ATOM 0 H MET A 33 0.923 11.624 -1.025 1.00 0.00 H new ATOM 0 HA MET A 33 1.637 9.144 -2.002 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.201 8.314 0.174 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.717 9.976 0.377 1.00 0.00 H new ATOM 0 HG2 MET A 33 -0.595 10.671 0.810 1.00 0.00 H new ATOM 0 HG3 MET A 33 -1.161 9.036 0.532 1.00 0.00 H new ATOM 0 HE1 MET A 33 0.042 7.040 3.597 1.00 0.00 H new ATOM 0 HE2 MET A 33 -0.536 7.024 1.914 1.00 0.00 H new ATOM 0 HE3 MET A 33 1.196 7.243 2.258 1.00 0.00 H new ATOM 555 N PHE A 34 -1.557 9.625 -2.073 1.00 0.00 N ATOM 556 CA PHE A 34 -2.870 9.189 -2.560 1.00 0.00 C ATOM 557 C PHE A 34 -2.904 8.921 -4.071 1.00 0.00 C ATOM 558 O PHE A 34 -3.733 8.149 -4.548 1.00 0.00 O ATOM 559 CB PHE A 34 -3.896 10.260 -2.189 1.00 0.00 C ATOM 560 CG PHE A 34 -5.085 9.677 -1.436 1.00 0.00 C ATOM 561 CD1 PHE A 34 -5.637 8.439 -1.774 1.00 0.00 C ATOM 562 CD2 PHE A 34 -5.698 10.452 -0.452 1.00 0.00 C ATOM 563 CE1 PHE A 34 -6.777 7.988 -1.147 1.00 0.00 C ATOM 564 CE2 PHE A 34 -6.848 10.007 0.166 1.00 0.00 C ATOM 565 CZ PHE A 34 -7.397 8.771 -0.177 1.00 0.00 C ATOM 0 H PHE A 34 -1.546 10.601 -1.778 1.00 0.00 H new ATOM 0 HA PHE A 34 -3.104 8.236 -2.086 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.417 11.023 -1.575 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.248 10.754 -3.095 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.166 7.831 -2.533 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -5.271 11.404 -0.173 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.191 7.025 -1.408 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -7.325 10.618 0.918 1.00 0.00 H new ATOM 0 HZ PHE A 34 -8.298 8.424 0.307 1.00 0.00 H new ATOM 575 N GLU A 35 -1.907 9.446 -4.775 1.00 0.00 N ATOM 576 CA GLU A 35 -1.777 9.316 -6.234 1.00 0.00 C ATOM 577 C GLU A 35 -0.928 8.091 -6.603 1.00 0.00 C ATOM 578 O GLU A 35 -1.357 7.297 -7.431 1.00 0.00 O ATOM 579 CB GLU A 35 -1.201 10.616 -6.803 1.00 0.00 C ATOM 580 CG GLU A 35 -1.287 10.683 -8.333 1.00 0.00 C ATOM 581 CD GLU A 35 0.023 10.351 -9.060 1.00 0.00 C ATOM 582 OE1 GLU A 35 0.761 9.451 -8.598 1.00 0.00 O ATOM 583 OE2 GLU A 35 0.286 11.060 -10.055 1.00 0.00 O ATOM 0 H GLU A 35 -1.152 9.983 -4.348 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.759 9.153 -6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.737 11.463 -6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.159 10.711 -6.497 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.060 9.993 -8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.605 11.685 -8.623 1.00 0.00 H new ATOM 590 N VAL A 36 0.190 7.887 -5.909 1.00 0.00 N ATOM 591 CA VAL A 36 1.005 6.667 -6.091 1.00 0.00 C ATOM 592 C VAL A 36 0.311 5.414 -5.512 1.00 0.00 C ATOM 593 O VAL A 36 0.453 4.317 -6.045 1.00 0.00 O ATOM 594 CB VAL A 36 2.436 6.904 -5.581 1.00 0.00 C ATOM 595 CG1 VAL A 36 2.488 7.142 -4.076 1.00 0.00 C ATOM 596 CG2 VAL A 36 3.391 5.787 -6.011 1.00 0.00 C ATOM 0 H VAL A 36 0.558 8.540 -5.218 1.00 0.00 H new ATOM 0 HA VAL A 36 1.095 6.451 -7.156 1.00 0.00 H new ATOM 0 HB VAL A 36 2.781 7.823 -6.054 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.521 7.304 -3.769 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.893 8.021 -3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.087 6.272 -3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.390 5.996 -5.629 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.041 4.835 -5.611 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.422 5.734 -7.099 1.00 0.00 H new ATOM 606 N LEU A 37 -0.538 5.637 -4.508 1.00 0.00 N ATOM 607 CA LEU A 37 -1.370 4.592 -3.891 1.00 0.00 C ATOM 608 C LEU A 37 -2.669 4.355 -4.666 1.00 0.00 C ATOM 609 O LEU A 37 -3.197 3.256 -4.621 1.00 0.00 O ATOM 610 CB LEU A 37 -1.713 4.942 -2.444 1.00 0.00 C ATOM 611 CG LEU A 37 -1.569 3.738 -1.512 1.00 0.00 C ATOM 612 CD1 LEU A 37 -0.097 3.426 -1.270 1.00 0.00 C ATOM 613 CD2 LEU A 37 -2.234 4.042 -0.176 1.00 0.00 C ATOM 0 H LEU A 37 -0.672 6.559 -4.092 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.778 3.677 -3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.061 5.745 -2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.735 5.318 -2.395 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.047 2.878 -1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.012 2.567 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.388 3.199 -2.220 1.00 0.00 H new ATOM 0 HD13 LEU A 37 0.387 4.289 -0.812 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.130 3.182 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.757 4.910 0.279 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.292 4.251 -0.335 1.00 0.00 H new ATOM 625 N GLU A 38 -3.105 5.329 -5.466 1.00 0.00 N ATOM 626 CA GLU A 38 -4.290 5.210 -6.341 1.00 0.00 C ATOM 627 C GLU A 38 -4.233 3.916 -7.193 1.00 0.00 C ATOM 628 O GLU A 38 -5.127 3.083 -7.012 1.00 0.00 O ATOM 629 CB GLU A 38 -4.377 6.490 -7.183 1.00 0.00 C ATOM 630 CG GLU A 38 -5.763 7.133 -7.239 1.00 0.00 C ATOM 631 CD GLU A 38 -6.467 6.818 -8.558 1.00 0.00 C ATOM 632 OE1 GLU A 38 -6.148 7.507 -9.552 1.00 0.00 O ATOM 633 OE2 GLU A 38 -7.263 5.856 -8.558 1.00 0.00 O ATOM 0 H GLU A 38 -2.645 6.237 -5.531 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.202 5.117 -5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.671 7.218 -6.784 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.058 6.261 -8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.367 6.773 -6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.671 8.213 -7.122 1.00 0.00 H new ATOM 640 N PRO A 39 -3.119 3.595 -7.887 1.00 0.00 N ATOM 641 CA PRO A 39 -2.973 2.296 -8.564 1.00 0.00 C ATOM 642 C PRO A 39 -2.752 1.144 -7.577 1.00 0.00 C ATOM 643 O PRO A 39 -3.440 0.145 -7.701 1.00 0.00 O ATOM 644 CB PRO A 39 -1.817 2.462 -9.550 1.00 0.00 C ATOM 645 CG PRO A 39 -0.923 3.492 -8.869 1.00 0.00 C ATOM 646 CD PRO A 39 -1.926 4.418 -8.182 1.00 0.00 C ATOM 0 HA PRO A 39 -3.889 2.022 -9.088 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.292 1.521 -9.717 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.164 2.811 -10.523 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.246 3.028 -8.152 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.305 4.029 -9.589 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.506 4.835 -7.267 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -2.184 5.258 -8.827 1.00 0.00 H new ATOM 654 N LEU A 40 -2.019 1.370 -6.490 1.00 0.00 N ATOM 655 CA LEU A 40 -1.788 0.357 -5.435 1.00 0.00 C ATOM 656 C LEU A 40 -3.058 -0.071 -4.665 1.00 0.00 C ATOM 657 O LEU A 40 -3.080 -1.097 -3.994 1.00 0.00 O ATOM 658 CB LEU A 40 -0.718 0.899 -4.487 1.00 0.00 C ATOM 659 CG LEU A 40 0.563 1.333 -5.208 1.00 0.00 C ATOM 660 CD1 LEU A 40 1.478 2.026 -4.212 1.00 0.00 C ATOM 661 CD2 LEU A 40 1.309 0.166 -5.855 1.00 0.00 C ATOM 0 H LEU A 40 -1.561 2.262 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.454 -0.559 -5.923 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.124 1.749 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.472 0.133 -3.751 1.00 0.00 H new ATOM 0 HG LEU A 40 0.272 2.009 -6.012 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.393 2.339 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.973 2.900 -3.801 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.725 1.337 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.207 0.537 -6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.589 -0.556 -5.088 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.664 -0.316 -6.589 1.00 0.00 H new ATOM 673 N HIS A 41 -4.095 0.757 -4.757 1.00 0.00 N ATOM 674 CA HIS A 41 -5.462 0.511 -4.264 1.00 0.00 C ATOM 675 C HIS A 41 -6.247 -0.406 -5.220 1.00 0.00 C ATOM 676 O HIS A 41 -6.880 -1.368 -4.787 1.00 0.00 O ATOM 677 CB HIS A 41 -6.113 1.890 -4.058 1.00 0.00 C ATOM 678 CG HIS A 41 -7.648 1.933 -4.133 1.00 0.00 C ATOM 679 ND1 HIS A 41 -8.472 0.951 -3.782 1.00 0.00 N ATOM 680 CD2 HIS A 41 -8.332 2.799 -4.869 1.00 0.00 C ATOM 681 CE1 HIS A 41 -9.660 1.190 -4.341 1.00 0.00 C ATOM 682 NE2 HIS A 41 -9.575 2.338 -4.998 1.00 0.00 N ATOM 0 H HIS A 41 -4.007 1.671 -5.201 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.456 -0.028 -3.317 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.807 2.272 -3.084 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.714 2.573 -4.808 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -7.948 3.717 -5.290 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -10.535 0.560 -4.271 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -10.330 2.790 -5.513 1.00 0.00 H new ATOM 690 N ALA A 42 -6.144 -0.116 -6.513 1.00 0.00 N ATOM 691 CA ALA A 42 -6.844 -0.868 -7.577 1.00 0.00 C ATOM 692 C ALA A 42 -6.126 -2.183 -7.931 1.00 0.00 C ATOM 693 O ALA A 42 -6.736 -3.253 -7.893 1.00 0.00 O ATOM 694 CB ALA A 42 -7.009 0.031 -8.804 1.00 0.00 C ATOM 0 H ALA A 42 -5.571 0.651 -6.866 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.829 -1.154 -7.207 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.525 -0.519 -9.591 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.593 0.911 -8.534 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.028 0.342 -9.162 1.00 0.00 H new ATOM 700 N MET A 43 -4.796 -2.101 -7.969 1.00 0.00 N ATOM 701 CA MET A 43 -3.853 -3.230 -8.103 1.00 0.00 C ATOM 702 C MET A 43 -3.822 -4.143 -6.864 1.00 0.00 C ATOM 703 O MET A 43 -3.057 -5.092 -6.809 1.00 0.00 O ATOM 704 CB MET A 43 -2.425 -2.731 -8.376 1.00 0.00 C ATOM 705 CG MET A 43 -2.251 -2.046 -9.736 1.00 0.00 C ATOM 706 SD MET A 43 -2.675 -3.112 -11.161 1.00 0.00 S ATOM 707 CE MET A 43 -4.167 -2.310 -11.709 1.00 0.00 C ATOM 0 H MET A 43 -4.315 -1.204 -7.904 1.00 0.00 H new ATOM 0 HA MET A 43 -4.219 -3.814 -8.948 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.139 -2.032 -7.590 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.739 -3.576 -8.316 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.875 -1.153 -9.765 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.217 -1.716 -9.836 1.00 0.00 H new ATOM 0 HE1 MET A 43 -4.564 -2.834 -12.578 1.00 0.00 H new ATOM 0 HE2 MET A 43 -4.905 -2.327 -10.907 1.00 0.00 H new ATOM 0 HE3 MET A 43 -3.947 -1.277 -11.978 1.00 0.00 H new ATOM 717 N MET A 44 -4.571 -3.779 -5.828 1.00 0.00 N ATOM 718 CA MET A 44 -4.739 -4.628 -4.636 1.00 0.00 C ATOM 719 C MET A 44 -6.159 -5.214 -4.561 1.00 0.00 C ATOM 720 O MET A 44 -6.326 -6.379 -4.208 1.00 0.00 O ATOM 721 CB MET A 44 -4.385 -3.821 -3.380 1.00 0.00 C ATOM 722 CG MET A 44 -4.492 -4.625 -2.078 1.00 0.00 C ATOM 723 SD MET A 44 -3.464 -6.135 -2.071 1.00 0.00 S ATOM 724 CE MET A 44 -4.646 -7.387 -1.629 1.00 0.00 C ATOM 0 H MET A 44 -5.078 -2.895 -5.783 1.00 0.00 H new ATOM 0 HA MET A 44 -4.058 -5.477 -4.704 1.00 0.00 H new ATOM 0 HB2 MET A 44 -3.368 -3.440 -3.479 1.00 0.00 H new ATOM 0 HB3 MET A 44 -5.045 -2.956 -3.317 1.00 0.00 H new ATOM 0 HG2 MET A 44 -4.197 -3.990 -1.242 1.00 0.00 H new ATOM 0 HG3 MET A 44 -5.533 -4.903 -1.916 1.00 0.00 H new ATOM 0 HE1 MET A 44 -4.494 -8.267 -2.253 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.514 -7.658 -0.581 1.00 0.00 H new ATOM 0 HE3 MET A 44 -5.655 -7.004 -1.781 1.00 0.00 H new ATOM 734 N GLU A 45 -7.124 -4.470 -5.100 1.00 0.00 N ATOM 735 CA GLU A 45 -8.542 -4.862 -5.064 1.00 0.00 C ATOM 736 C GLU A 45 -8.855 -5.967 -6.082 1.00 0.00 C ATOM 737 O GLU A 45 -9.543 -6.916 -5.724 1.00 0.00 O ATOM 738 CB GLU A 45 -9.433 -3.633 -5.260 1.00 0.00 C ATOM 739 CG GLU A 45 -10.873 -3.905 -4.808 1.00 0.00 C ATOM 740 CD GLU A 45 -11.797 -4.298 -5.964 1.00 0.00 C ATOM 741 OE1 GLU A 45 -11.903 -5.507 -6.252 1.00 0.00 O ATOM 742 OE2 GLU A 45 -12.394 -3.357 -6.529 1.00 0.00 O ATOM 0 H GLU A 45 -6.952 -3.583 -5.573 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.756 -5.283 -4.081 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.026 -2.794 -4.696 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.429 -3.343 -6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.871 -4.702 -4.065 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.269 -3.015 -4.319 1.00 0.00 H new ATOM 749 N ARG A 46 -8.224 -5.892 -7.260 1.00 0.00 N ATOM 750 CA ARG A 46 -8.323 -6.935 -8.308 1.00 0.00 C ATOM 751 C ARG A 46 -8.061 -8.354 -7.771 1.00 0.00 C ATOM 752 O ARG A 46 -8.630 -9.324 -8.267 1.00 0.00 O ATOM 753 CB ARG A 46 -7.318 -6.639 -9.423 1.00 0.00 C ATOM 754 CG ARG A 46 -7.955 -6.944 -10.778 1.00 0.00 C ATOM 755 CD ARG A 46 -8.033 -5.649 -11.583 1.00 0.00 C ATOM 756 NE ARG A 46 -9.098 -5.730 -12.596 1.00 0.00 N ATOM 757 CZ ARG A 46 -9.357 -4.805 -13.525 1.00 0.00 C ATOM 758 NH1 ARG A 46 -8.596 -3.727 -13.667 1.00 0.00 N ATOM 759 NH2 ARG A 46 -10.378 -4.960 -14.353 1.00 0.00 N ATOM 0 H ARG A 46 -7.627 -5.107 -7.521 1.00 0.00 H new ATOM 0 HA ARG A 46 -9.346 -6.907 -8.683 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -7.010 -5.594 -9.381 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.420 -7.242 -9.287 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.365 -7.688 -11.314 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.951 -7.365 -10.641 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -8.224 -4.810 -10.914 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.076 -5.458 -12.069 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.688 -6.562 -12.588 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.789 -3.588 -13.058 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -8.818 -3.037 -14.385 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.970 -5.788 -14.283 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.573 -4.252 -15.061 1.00 0.00 H new ATOM 773 N GLY A 47 -7.241 -8.413 -6.710 1.00 0.00 N ATOM 774 CA GLY A 47 -6.916 -9.670 -6.026 1.00 0.00 C ATOM 775 C GLY A 47 -5.802 -10.464 -6.729 1.00 0.00 C ATOM 776 O GLY A 47 -5.446 -10.165 -7.873 1.00 0.00 O ATOM 0 H GLY A 47 -6.788 -7.594 -6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.610 -9.452 -5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.812 -10.287 -5.966 1.00 0.00 H new ATOM 780 N PRO A 48 -5.154 -11.382 -6.002 1.00 0.00 N ATOM 781 CA PRO A 48 -4.085 -12.219 -6.575 1.00 0.00 C ATOM 782 C PRO A 48 -4.642 -13.209 -7.611 1.00 0.00 C ATOM 783 O PRO A 48 -5.849 -13.371 -7.761 1.00 0.00 O ATOM 784 CB PRO A 48 -3.441 -12.900 -5.366 1.00 0.00 C ATOM 785 CG PRO A 48 -4.594 -13.035 -4.371 1.00 0.00 C ATOM 786 CD PRO A 48 -5.417 -11.764 -4.596 1.00 0.00 C ATOM 0 HA PRO A 48 -3.348 -11.643 -7.134 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.023 -13.872 -5.629 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.626 -12.303 -4.957 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.183 -13.932 -4.560 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.232 -13.101 -3.345 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.479 -11.946 -4.428 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -5.117 -10.973 -3.909 1.00 0.00 H new ATOM 794 N GLN A 49 -3.726 -13.699 -8.436 1.00 0.00 N ATOM 795 CA GLN A 49 -4.032 -14.691 -9.492 1.00 0.00 C ATOM 796 C GLN A 49 -3.273 -16.019 -9.306 1.00 0.00 C ATOM 797 O GLN A 49 -3.856 -17.097 -9.316 1.00 0.00 O ATOM 798 CB GLN A 49 -3.792 -14.076 -10.885 1.00 0.00 C ATOM 799 CG GLN A 49 -2.348 -13.598 -11.098 1.00 0.00 C ATOM 800 CD GLN A 49 -2.158 -12.741 -12.339 1.00 0.00 C ATOM 801 OE1 GLN A 49 -1.510 -13.118 -13.307 1.00 0.00 O ATOM 802 NE2 GLN A 49 -2.546 -11.496 -12.209 1.00 0.00 N ATOM 0 H GLN A 49 -2.743 -13.427 -8.402 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.088 -14.947 -9.406 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -4.039 -14.814 -11.648 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.470 -13.234 -11.025 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.032 -13.029 -10.224 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.694 -14.468 -11.166 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.085 -11.213 -11.391 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.309 -10.810 -12.926 1.00 0.00 H new ATOM 811 N THR A 50 -1.953 -15.888 -9.228 1.00 0.00 N ATOM 812 CA THR A 50 -0.991 -16.989 -9.024 1.00 0.00 C ATOM 813 C THR A 50 -0.839 -17.260 -7.518 1.00 0.00 C ATOM 814 O THR A 50 -1.789 -17.704 -6.880 1.00 0.00 O ATOM 815 CB THR A 50 0.328 -16.726 -9.807 1.00 0.00 C ATOM 816 OG1 THR A 50 1.375 -17.598 -9.366 1.00 0.00 O ATOM 817 CG2 THR A 50 0.816 -15.276 -9.754 1.00 0.00 C ATOM 0 H THR A 50 -1.496 -14.980 -9.307 1.00 0.00 H new ATOM 0 HA THR A 50 -1.363 -17.921 -9.450 1.00 0.00 H new ATOM 0 HB THR A 50 0.079 -16.934 -10.848 1.00 0.00 H new ATOM 0 HG1 THR A 50 2.191 -17.413 -9.875 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.740 -15.182 -10.325 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.057 -14.621 -10.181 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.999 -14.991 -8.718 1.00 0.00 H new ATOM 825 N LEU A 51 0.299 -16.849 -6.961 1.00 0.00 N ATOM 826 CA LEU A 51 0.664 -16.988 -5.539 1.00 0.00 C ATOM 827 C LEU A 51 2.036 -16.341 -5.258 1.00 0.00 C ATOM 828 O LEU A 51 2.885 -16.860 -4.541 1.00 0.00 O ATOM 829 CB LEU A 51 0.705 -18.483 -5.191 1.00 0.00 C ATOM 830 CG LEU A 51 0.107 -18.777 -3.814 1.00 0.00 C ATOM 831 CD1 LEU A 51 -1.415 -18.588 -3.806 1.00 0.00 C ATOM 832 CD2 LEU A 51 0.473 -20.201 -3.402 1.00 0.00 C ATOM 0 H LEU A 51 1.028 -16.389 -7.506 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.077 -16.478 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.159 -19.045 -5.949 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.737 -18.832 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 51 0.522 -18.069 -3.097 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.803 -18.806 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.655 -17.559 -4.072 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.870 -19.265 -4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.049 -20.416 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.074 -20.905 -4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.558 -20.300 -3.358 1.00 0.00 H new ATOM 844 N LYS A 52 2.282 -15.238 -5.959 1.00 0.00 N ATOM 845 CA LYS A 52 3.543 -14.492 -5.797 1.00 0.00 C ATOM 846 C LYS A 52 3.285 -13.068 -5.283 1.00 0.00 C ATOM 847 O LYS A 52 4.010 -12.554 -4.433 1.00 0.00 O ATOM 848 CB LYS A 52 4.348 -14.505 -7.102 1.00 0.00 C ATOM 849 CG LYS A 52 4.576 -15.918 -7.654 1.00 0.00 C ATOM 850 CD LYS A 52 5.965 -16.048 -8.272 1.00 0.00 C ATOM 851 CE LYS A 52 6.811 -16.959 -7.387 1.00 0.00 C ATOM 852 NZ LYS A 52 8.238 -16.809 -7.692 1.00 0.00 N ATOM 0 H LYS A 52 1.637 -14.838 -6.640 1.00 0.00 H new ATOM 0 HA LYS A 52 4.146 -14.991 -5.039 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.825 -13.909 -7.850 1.00 0.00 H new ATOM 0 HB3 LYS A 52 5.313 -14.028 -6.931 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.461 -16.648 -6.853 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.818 -16.146 -8.404 1.00 0.00 H new ATOM 0 HD2 LYS A 52 5.894 -16.459 -9.279 1.00 0.00 H new ATOM 0 HD3 LYS A 52 6.432 -15.067 -8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.632 -16.721 -6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.511 -17.996 -7.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.792 -17.439 -7.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.408 -17.059 -8.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.526 -15.823 -7.528 1.00 0.00 H new ATOM 866 N GLU A 53 2.236 -12.434 -5.816 1.00 0.00 N ATOM 867 CA GLU A 53 1.765 -11.103 -5.374 1.00 0.00 C ATOM 868 C GLU A 53 1.045 -11.139 -4.017 1.00 0.00 C ATOM 869 O GLU A 53 -0.134 -10.816 -3.891 1.00 0.00 O ATOM 870 CB GLU A 53 0.941 -10.384 -6.457 1.00 0.00 C ATOM 871 CG GLU A 53 -0.268 -11.152 -7.004 1.00 0.00 C ATOM 872 CD GLU A 53 0.020 -11.722 -8.391 1.00 0.00 C ATOM 873 OE1 GLU A 53 1.041 -12.442 -8.509 1.00 0.00 O ATOM 874 OE2 GLU A 53 -0.858 -11.560 -9.259 1.00 0.00 O ATOM 0 H GLU A 53 1.679 -12.828 -6.574 1.00 0.00 H new ATOM 0 HA GLU A 53 2.663 -10.506 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.590 -9.436 -6.048 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.602 -10.146 -7.290 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.526 -11.962 -6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.132 -10.489 -7.053 1.00 0.00 H new ATOM 881 N THR A 54 1.806 -11.597 -3.028 1.00 0.00 N ATOM 882 CA THR A 54 1.329 -11.722 -1.638 1.00 0.00 C ATOM 883 C THR A 54 2.462 -11.874 -0.604 1.00 0.00 C ATOM 884 O THR A 54 2.233 -12.270 0.534 1.00 0.00 O ATOM 885 CB THR A 54 0.237 -12.815 -1.581 1.00 0.00 C ATOM 886 OG1 THR A 54 -0.748 -12.378 -0.650 1.00 0.00 O ATOM 887 CG2 THR A 54 0.703 -14.254 -1.310 1.00 0.00 C ATOM 0 H THR A 54 2.773 -11.894 -3.159 1.00 0.00 H new ATOM 0 HA THR A 54 0.870 -10.782 -1.332 1.00 0.00 H new ATOM 0 HB THR A 54 -0.167 -12.913 -2.589 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.460 -13.048 -0.589 1.00 0.00 H new ATOM 0 HG21 THR A 54 -0.160 -14.919 -1.296 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.390 -14.568 -2.096 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.210 -14.297 -0.346 1.00 0.00 H new ATOM 895 N SER A 55 3.621 -11.298 -0.927 1.00 0.00 N ATOM 896 CA SER A 55 4.787 -11.302 -0.011 1.00 0.00 C ATOM 897 C SER A 55 4.566 -10.424 1.229 1.00 0.00 C ATOM 898 O SER A 55 4.944 -10.776 2.342 1.00 0.00 O ATOM 899 CB SER A 55 6.057 -10.826 -0.712 1.00 0.00 C ATOM 900 OG SER A 55 7.016 -11.881 -0.720 1.00 0.00 O ATOM 0 H SER A 55 3.788 -10.821 -1.813 1.00 0.00 H new ATOM 0 HA SER A 55 4.902 -12.339 0.304 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.829 -10.519 -1.733 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.463 -9.954 -0.200 1.00 0.00 H new ATOM 0 HG SER A 55 7.832 -11.578 -1.171 1.00 0.00 H new ATOM 906 N PHE A 56 3.817 -9.346 1.015 1.00 0.00 N ATOM 907 CA PHE A 56 3.461 -8.387 2.070 1.00 0.00 C ATOM 908 C PHE A 56 2.237 -8.854 2.863 1.00 0.00 C ATOM 909 O PHE A 56 2.275 -8.893 4.089 1.00 0.00 O ATOM 910 CB PHE A 56 3.213 -7.011 1.444 1.00 0.00 C ATOM 911 CG PHE A 56 1.998 -6.884 0.541 1.00 0.00 C ATOM 912 CD1 PHE A 56 2.136 -7.142 -0.818 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.738 -6.621 1.079 1.00 0.00 C ATOM 914 CE1 PHE A 56 1.017 -7.151 -1.621 1.00 0.00 C ATOM 915 CE2 PHE A 56 -0.375 -6.622 0.277 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.234 -6.887 -1.085 1.00 0.00 C ATOM 0 H PHE A 56 3.435 -9.107 0.100 1.00 0.00 H new ATOM 0 HA PHE A 56 4.291 -8.318 2.773 1.00 0.00 H new ATOM 0 HB2 PHE A 56 3.117 -6.283 2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 56 4.096 -6.735 0.868 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.111 -7.334 -1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.638 -6.415 2.134 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.115 -7.365 -2.675 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.350 -6.420 0.696 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.104 -6.887 -1.725 1.00 0.00 H new ATOM 926 N ASN A 57 1.200 -9.253 2.123 1.00 0.00 N ATOM 927 CA ASN A 57 -0.084 -9.716 2.676 1.00 0.00 C ATOM 928 C ASN A 57 0.092 -10.986 3.517 1.00 0.00 C ATOM 929 O ASN A 57 -0.662 -11.194 4.462 1.00 0.00 O ATOM 930 CB ASN A 57 -1.094 -9.945 1.546 1.00 0.00 C ATOM 931 CG ASN A 57 -2.449 -10.387 2.102 1.00 0.00 C ATOM 932 OD1 ASN A 57 -2.787 -11.559 2.160 1.00 0.00 O ATOM 933 ND2 ASN A 57 -3.237 -9.436 2.548 1.00 0.00 N ATOM 0 H ASN A 57 1.225 -9.265 1.103 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.468 -8.939 3.337 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.215 -9.027 0.970 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.713 -10.703 0.861 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.145 -9.672 2.949 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.942 -8.461 2.493 1.00 0.00 H new ATOM 940 N GLN A 58 1.157 -11.729 3.211 1.00 0.00 N ATOM 941 CA GLN A 58 1.556 -12.928 3.962 1.00 0.00 C ATOM 942 C GLN A 58 1.747 -12.582 5.447 1.00 0.00 C ATOM 943 O GLN A 58 1.241 -13.291 6.315 1.00 0.00 O ATOM 944 CB GLN A 58 2.860 -13.473 3.366 1.00 0.00 C ATOM 945 CG GLN A 58 3.113 -14.942 3.730 1.00 0.00 C ATOM 946 CD GLN A 58 3.272 -15.167 5.236 1.00 0.00 C ATOM 947 OE1 GLN A 58 4.004 -14.480 5.939 1.00 0.00 O ATOM 948 NE2 GLN A 58 2.561 -16.135 5.764 1.00 0.00 N ATOM 0 H GLN A 58 1.775 -11.516 2.428 1.00 0.00 H new ATOM 0 HA GLN A 58 0.777 -13.687 3.888 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.828 -13.373 2.281 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.695 -12.867 3.717 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.285 -15.549 3.363 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.012 -15.287 3.220 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.954 -16.703 5.173 1.00 0.00 H new ATOM 0 HE22 GLN A 58 2.615 -16.320 6.766 1.00 0.00 H new ATOM 957 N ALA A 59 2.361 -11.433 5.708 1.00 0.00 N ATOM 958 CA ALA A 59 2.549 -10.996 7.092 1.00 0.00 C ATOM 959 C ALA A 59 1.659 -9.801 7.413 1.00 0.00 C ATOM 960 O ALA A 59 0.585 -10.038 7.955 1.00 0.00 O ATOM 961 CB ALA A 59 4.021 -10.766 7.361 1.00 0.00 C ATOM 0 H ALA A 59 2.730 -10.798 5.000 1.00 0.00 H new ATOM 0 HA ALA A 59 2.229 -11.780 7.778 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.156 -10.441 8.393 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.570 -11.694 7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.399 -9.998 6.686 1.00 0.00 H new ATOM 967 N TYR A 60 2.060 -8.583 7.017 1.00 0.00 N ATOM 968 CA TYR A 60 1.322 -7.324 7.257 1.00 0.00 C ATOM 969 C TYR A 60 0.400 -7.461 8.480 1.00 0.00 C ATOM 970 O TYR A 60 -0.798 -7.691 8.328 1.00 0.00 O ATOM 971 CB TYR A 60 0.479 -7.017 6.007 1.00 0.00 C ATOM 972 CG TYR A 60 0.763 -5.656 5.397 1.00 0.00 C ATOM 973 CD1 TYR A 60 0.206 -4.486 5.910 1.00 0.00 C ATOM 974 CD2 TYR A 60 1.508 -5.599 4.224 1.00 0.00 C ATOM 975 CE1 TYR A 60 0.385 -3.293 5.252 1.00 0.00 C ATOM 976 CE2 TYR A 60 1.695 -4.411 3.557 1.00 0.00 C ATOM 977 CZ TYR A 60 1.136 -3.245 4.075 1.00 0.00 C ATOM 978 OH TYR A 60 1.367 -2.050 3.495 1.00 0.00 O ATOM 0 H TYR A 60 2.931 -8.438 6.506 1.00 0.00 H new ATOM 0 HA TYR A 60 2.028 -6.517 7.452 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.663 -7.787 5.257 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.577 -7.074 6.269 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.367 -4.517 6.825 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.947 -6.504 3.830 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.056 -2.389 5.646 1.00 0.00 H new ATOM 0 HE2 TYR A 60 2.269 -4.382 2.642 1.00 0.00 H new ATOM 0 HH TYR A 60 1.039 -1.334 4.078 1.00 0.00 H new ATOM 988 N GLY A 61 1.005 -7.459 9.680 1.00 0.00 N ATOM 989 CA GLY A 61 0.258 -7.612 10.956 1.00 0.00 C ATOM 990 C GLY A 61 -0.996 -6.721 11.057 1.00 0.00 C ATOM 991 O GLY A 61 -1.965 -7.026 11.741 1.00 0.00 O ATOM 0 H GLY A 61 2.012 -7.353 9.801 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.039 -8.655 11.069 1.00 0.00 H new ATOM 0 HA3 GLY A 61 0.925 -7.379 11.786 1.00 0.00 H new ATOM 995 N ARG A 62 -0.935 -5.658 10.265 1.00 0.00 N ATOM 996 CA ARG A 62 -1.930 -4.583 10.116 1.00 0.00 C ATOM 997 C ARG A 62 -2.912 -4.828 8.955 1.00 0.00 C ATOM 998 O ARG A 62 -4.012 -4.279 8.935 1.00 0.00 O ATOM 999 CB ARG A 62 -1.141 -3.308 9.819 1.00 0.00 C ATOM 1000 CG ARG A 62 0.027 -2.981 10.762 1.00 0.00 C ATOM 1001 CD ARG A 62 -0.340 -2.908 12.249 1.00 0.00 C ATOM 1002 NE ARG A 62 -0.317 -4.245 12.874 1.00 0.00 N ATOM 1003 CZ ARG A 62 -0.750 -4.550 14.099 1.00 0.00 C ATOM 1004 NH1 ARG A 62 -1.307 -3.636 14.878 1.00 0.00 N ATOM 1005 NH2 ARG A 62 -0.667 -5.792 14.553 1.00 0.00 N ATOM 0 H ARG A 62 -0.129 -5.506 9.659 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.526 -4.524 11.027 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.749 -3.380 8.805 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.835 -2.468 9.834 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.802 -3.736 10.631 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.459 -2.026 10.463 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.359 -2.251 12.766 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.332 -2.470 12.360 1.00 0.00 H new ATOM 0 HE ARG A 62 0.066 -5.008 12.317 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.412 -2.678 14.545 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.631 -3.890 15.811 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.270 -6.524 13.965 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.001 -6.016 15.491 1.00 0.00 H new ATOM 1019 N ASP A 63 -2.468 -5.629 7.983 1.00 0.00 N ATOM 1020 CA ASP A 63 -3.164 -5.997 6.737 1.00 0.00 C ATOM 1021 C ASP A 63 -3.286 -4.803 5.775 1.00 0.00 C ATOM 1022 O ASP A 63 -4.028 -3.851 6.011 1.00 0.00 O ATOM 1023 CB ASP A 63 -4.505 -6.663 7.096 1.00 0.00 C ATOM 1024 CG ASP A 63 -5.238 -7.329 5.931 1.00 0.00 C ATOM 1025 OD1 ASP A 63 -4.541 -7.819 5.012 1.00 0.00 O ATOM 1026 OD2 ASP A 63 -6.472 -7.156 5.878 1.00 0.00 O ATOM 0 H ASP A 63 -1.550 -6.070 8.045 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.576 -6.727 6.180 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.324 -7.413 7.866 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.160 -5.909 7.533 1.00 0.00 H new ATOM 1031 N LEU A 64 -2.599 -4.919 4.637 1.00 0.00 N ATOM 1032 CA LEU A 64 -2.604 -3.846 3.617 1.00 0.00 C ATOM 1033 C LEU A 64 -3.987 -3.736 2.981 1.00 0.00 C ATOM 1034 O LEU A 64 -4.548 -2.650 2.915 1.00 0.00 O ATOM 1035 CB LEU A 64 -1.620 -4.090 2.474 1.00 0.00 C ATOM 1036 CG LEU A 64 -1.033 -2.795 1.891 1.00 0.00 C ATOM 1037 CD1 LEU A 64 0.020 -3.186 0.863 1.00 0.00 C ATOM 1038 CD2 LEU A 64 -2.030 -1.806 1.285 1.00 0.00 C ATOM 0 H LEU A 64 -2.035 -5.733 4.392 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.315 -2.939 4.148 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.806 -4.720 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.125 -4.641 1.681 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.616 -2.243 2.734 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.457 -2.286 0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.801 -3.772 1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.443 -3.780 0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.495 -0.934 0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.565 -2.285 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -2.741 -1.492 2.049 1.00 0.00 H new ATOM 1050 N MET A 65 -4.561 -4.896 2.671 1.00 0.00 N ATOM 1051 CA MET A 65 -5.918 -4.999 2.117 1.00 0.00 C ATOM 1052 C MET A 65 -6.939 -4.194 2.934 1.00 0.00 C ATOM 1053 O MET A 65 -7.656 -3.414 2.334 1.00 0.00 O ATOM 1054 CB MET A 65 -6.330 -6.467 2.047 1.00 0.00 C ATOM 1055 CG MET A 65 -7.148 -6.697 0.779 1.00 0.00 C ATOM 1056 SD MET A 65 -8.895 -7.153 1.056 1.00 0.00 S ATOM 1057 CE MET A 65 -9.010 -8.422 -0.187 1.00 0.00 C ATOM 0 H MET A 65 -4.100 -5.797 2.796 1.00 0.00 H new ATOM 0 HA MET A 65 -5.905 -4.572 1.114 1.00 0.00 H new ATOM 0 HB2 MET A 65 -5.447 -7.106 2.045 1.00 0.00 H new ATOM 0 HB3 MET A 65 -6.916 -6.735 2.926 1.00 0.00 H new ATOM 0 HG2 MET A 65 -7.117 -5.790 0.176 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.671 -7.485 0.195 1.00 0.00 H new ATOM 0 HE1 MET A 65 -10.016 -8.841 -0.187 1.00 0.00 H new ATOM 0 HE2 MET A 65 -8.796 -7.993 -1.166 1.00 0.00 H new ATOM 0 HE3 MET A 65 -8.289 -9.210 0.030 1.00 0.00 H new ATOM 1067 N GLU A 66 -6.725 -4.121 4.250 1.00 0.00 N ATOM 1068 CA GLU A 66 -7.546 -3.309 5.168 1.00 0.00 C ATOM 1069 C GLU A 66 -7.114 -1.838 5.242 1.00 0.00 C ATOM 1070 O GLU A 66 -7.900 -0.977 4.858 1.00 0.00 O ATOM 1071 CB GLU A 66 -7.535 -3.948 6.551 1.00 0.00 C ATOM 1072 CG GLU A 66 -8.737 -4.881 6.696 1.00 0.00 C ATOM 1073 CD GLU A 66 -8.689 -5.701 7.988 1.00 0.00 C ATOM 1074 OE1 GLU A 66 -8.235 -5.156 9.018 1.00 0.00 O ATOM 1075 OE2 GLU A 66 -9.108 -6.874 7.904 1.00 0.00 O ATOM 0 H GLU A 66 -5.972 -4.626 4.718 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.560 -3.295 4.768 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.610 -4.505 6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.567 -3.176 7.319 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.654 -4.292 6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.774 -5.557 5.842 1.00 0.00 H new ATOM 1082 N ALA A 67 -5.806 -1.622 5.400 1.00 0.00 N ATOM 1083 CA ALA A 67 -5.182 -0.280 5.387 1.00 0.00 C ATOM 1084 C ALA A 67 -5.515 0.522 4.113 1.00 0.00 C ATOM 1085 O ALA A 67 -5.443 1.746 4.098 1.00 0.00 O ATOM 1086 CB ALA A 67 -3.665 -0.451 5.484 1.00 0.00 C ATOM 0 H ALA A 67 -5.135 -2.377 5.543 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.580 0.280 6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.187 0.529 5.476 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.416 -0.969 6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.310 -1.035 4.635 1.00 0.00 H new ATOM 1092 N GLN A 68 -5.771 -0.217 3.034 1.00 0.00 N ATOM 1093 CA GLN A 68 -6.200 0.284 1.718 1.00 0.00 C ATOM 1094 C GLN A 68 -7.722 0.239 1.526 1.00 0.00 C ATOM 1095 O GLN A 68 -8.252 1.168 0.936 1.00 0.00 O ATOM 1096 CB GLN A 68 -5.475 -0.494 0.609 1.00 0.00 C ATOM 1097 CG GLN A 68 -6.024 -0.303 -0.815 1.00 0.00 C ATOM 1098 CD GLN A 68 -7.001 -1.423 -1.196 1.00 0.00 C ATOM 1099 OE1 GLN A 68 -6.615 -2.559 -1.408 1.00 0.00 O ATOM 1100 NE2 GLN A 68 -8.297 -1.201 -1.198 1.00 0.00 N ATOM 0 H GLN A 68 -5.682 -1.233 3.049 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.925 1.337 1.661 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -4.425 -0.203 0.615 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -5.513 -1.556 0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.528 0.661 -0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -5.197 -0.283 -1.525 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.654 -0.261 -1.024 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.946 -1.968 -1.374 1.00 0.00 H new ATOM 1109 N GLU A 69 -8.389 -0.883 1.810 1.00 0.00 N ATOM 1110 CA GLU A 69 -9.864 -1.000 1.695 1.00 0.00 C ATOM 1111 C GLU A 69 -10.642 0.191 2.259 1.00 0.00 C ATOM 1112 O GLU A 69 -11.598 0.657 1.643 1.00 0.00 O ATOM 1113 CB GLU A 69 -10.422 -2.271 2.339 1.00 0.00 C ATOM 1114 CG GLU A 69 -10.530 -3.391 1.303 1.00 0.00 C ATOM 1115 CD GLU A 69 -11.899 -4.068 1.383 1.00 0.00 C ATOM 1116 OE1 GLU A 69 -12.893 -3.352 1.134 1.00 0.00 O ATOM 1117 OE2 GLU A 69 -11.916 -5.282 1.673 1.00 0.00 O ATOM 0 H GLU A 69 -7.933 -1.739 2.126 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.014 -1.033 0.616 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.775 -2.586 3.158 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.403 -2.068 2.768 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.377 -2.985 0.303 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.744 -4.127 1.472 1.00 0.00 H new ATOM 1124 N TRP A 70 -10.020 0.821 3.247 1.00 0.00 N ATOM 1125 CA TRP A 70 -10.525 2.041 3.890 1.00 0.00 C ATOM 1126 C TRP A 70 -10.075 3.270 3.074 1.00 0.00 C ATOM 1127 O TRP A 70 -9.868 4.343 3.616 1.00 0.00 O ATOM 1128 CB TRP A 70 -9.988 2.085 5.328 1.00 0.00 C ATOM 1129 CG TRP A 70 -10.063 0.760 6.114 1.00 0.00 C ATOM 1130 CD1 TRP A 70 -10.762 -0.344 5.819 1.00 0.00 C ATOM 1131 CD2 TRP A 70 -9.240 0.445 7.174 1.00 0.00 C ATOM 1132 NE1 TRP A 70 -10.407 -1.326 6.642 1.00 0.00 N ATOM 1133 CE2 TRP A 70 -9.495 -0.890 7.495 1.00 0.00 C ATOM 1134 CE3 TRP A 70 -8.295 1.167 7.891 1.00 0.00 C ATOM 1135 CZ2 TRP A 70 -8.812 -1.479 8.548 1.00 0.00 C ATOM 1136 CZ3 TRP A 70 -7.644 0.585 8.963 1.00 0.00 C ATOM 1137 CH2 TRP A 70 -7.901 -0.750 9.291 1.00 0.00 C ATOM 0 H TRP A 70 -9.134 0.498 3.636 1.00 0.00 H new ATOM 0 HA TRP A 70 -11.614 2.047 3.924 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.948 2.409 5.297 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -10.542 2.844 5.880 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -11.500 -0.424 5.034 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -10.782 -2.274 6.619 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.068 2.185 7.611 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -8.993 -2.516 8.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -6.939 1.160 9.545 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -7.389 -1.211 10.123 1.00 0.00 H new ATOM 1148 N CYS A 71 -10.123 3.143 1.748 1.00 0.00 N ATOM 1149 CA CYS A 71 -9.706 4.180 0.778 1.00 0.00 C ATOM 1150 C CYS A 71 -10.877 5.095 0.426 1.00 0.00 C ATOM 1151 O CYS A 71 -10.793 6.296 0.652 1.00 0.00 O ATOM 1152 CB CYS A 71 -9.145 3.575 -0.513 1.00 0.00 C ATOM 1153 SG CYS A 71 -10.240 2.310 -1.257 1.00 0.00 S ATOM 0 H CYS A 71 -10.462 2.294 1.296 1.00 0.00 H new ATOM 0 HA CYS A 71 -8.916 4.755 1.262 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -8.979 4.372 -1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -8.174 3.127 -0.304 1.00 0.00 H new ATOM 0 HG CYS A 71 -10.754 2.774 -2.357 1.00 0.00 H new ATOM 1159 N ARG A 72 -12.021 4.476 0.137 1.00 0.00 N ATOM 1160 CA ARG A 72 -13.298 5.187 -0.061 1.00 0.00 C ATOM 1161 C ARG A 72 -13.716 5.985 1.192 1.00 0.00 C ATOM 1162 O ARG A 72 -14.437 6.975 1.104 1.00 0.00 O ATOM 1163 CB ARG A 72 -14.361 4.163 -0.455 1.00 0.00 C ATOM 1164 CG ARG A 72 -15.461 4.836 -1.273 1.00 0.00 C ATOM 1165 CD ARG A 72 -16.393 3.781 -1.859 1.00 0.00 C ATOM 1166 NE ARG A 72 -17.370 4.428 -2.750 1.00 0.00 N ATOM 1167 CZ ARG A 72 -18.275 3.795 -3.501 1.00 0.00 C ATOM 1168 NH1 ARG A 72 -18.345 2.471 -3.537 1.00 0.00 N ATOM 1169 NH2 ARG A 72 -19.112 4.486 -4.258 1.00 0.00 N ATOM 0 H ARG A 72 -12.096 3.464 0.032 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.181 5.922 -0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -13.906 3.360 -1.035 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.788 3.709 0.439 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.026 5.523 -0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.019 5.429 -2.074 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -15.817 3.039 -2.412 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -16.910 3.252 -1.058 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.354 5.447 -2.798 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -17.698 1.911 -2.982 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.046 2.013 -4.119 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -19.067 5.505 -4.269 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -19.802 4.000 -4.830 1.00 0.00 H new ATOM 1183 N LYS A 73 -13.198 5.553 2.345 1.00 0.00 N ATOM 1184 CA LYS A 73 -13.316 6.298 3.608 1.00 0.00 C ATOM 1185 C LYS A 73 -12.183 7.310 3.813 1.00 0.00 C ATOM 1186 O LYS A 73 -12.454 8.503 3.801 1.00 0.00 O ATOM 1187 CB LYS A 73 -13.501 5.394 4.830 1.00 0.00 C ATOM 1188 CG LYS A 73 -14.981 5.031 4.986 1.00 0.00 C ATOM 1189 CD LYS A 73 -15.351 3.735 4.263 1.00 0.00 C ATOM 1190 CE LYS A 73 -16.857 3.654 4.008 1.00 0.00 C ATOM 1191 NZ LYS A 73 -17.165 4.044 2.625 1.00 0.00 N ATOM 0 H LYS A 73 -12.684 4.676 2.432 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.237 6.873 3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.905 4.489 4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.145 5.901 5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -15.216 4.931 6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.593 5.846 4.599 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.816 3.679 3.315 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.034 2.880 4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -17.209 2.639 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.385 4.307 4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -18.191 3.984 2.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -16.846 5.020 2.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.676 3.404 1.967 1.00 0.00 H new ATOM 1205 N TYR A 74 -10.928 6.879 3.740 1.00 0.00 N ATOM 1206 CA TYR A 74 -9.754 7.772 3.856 1.00 0.00 C ATOM 1207 C TYR A 74 -9.748 8.943 2.851 1.00 0.00 C ATOM 1208 O TYR A 74 -9.242 10.021 3.155 1.00 0.00 O ATOM 1209 CB TYR A 74 -8.503 6.889 3.743 1.00 0.00 C ATOM 1210 CG TYR A 74 -7.188 7.578 3.428 1.00 0.00 C ATOM 1211 CD1 TYR A 74 -6.863 8.807 4.000 1.00 0.00 C ATOM 1212 CD2 TYR A 74 -6.444 7.091 2.357 1.00 0.00 C ATOM 1213 CE1 TYR A 74 -5.838 9.554 3.480 1.00 0.00 C ATOM 1214 CE2 TYR A 74 -5.383 7.812 1.869 1.00 0.00 C ATOM 1215 CZ TYR A 74 -5.071 9.046 2.429 1.00 0.00 C ATOM 1216 OH TYR A 74 -3.931 9.645 2.047 1.00 0.00 O ATOM 0 H TYR A 74 -10.683 5.899 3.598 1.00 0.00 H new ATOM 0 HA TYR A 74 -9.784 8.277 4.822 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.384 6.351 4.683 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.686 6.143 2.970 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.418 9.170 4.852 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.702 6.143 1.909 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -5.624 10.533 3.882 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.793 7.422 1.053 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.065 10.080 1.179 1.00 0.00 H new ATOM 1226 N MET A 75 -10.485 8.771 1.758 1.00 0.00 N ATOM 1227 CA MET A 75 -10.690 9.777 0.703 1.00 0.00 C ATOM 1228 C MET A 75 -11.224 11.124 1.224 1.00 0.00 C ATOM 1229 O MET A 75 -10.940 12.141 0.602 1.00 0.00 O ATOM 1230 CB MET A 75 -11.629 9.169 -0.343 1.00 0.00 C ATOM 1231 CG MET A 75 -11.091 9.393 -1.757 1.00 0.00 C ATOM 1232 SD MET A 75 -11.347 11.101 -2.358 1.00 0.00 S ATOM 1233 CE MET A 75 -9.845 11.335 -3.282 1.00 0.00 C ATOM 0 H MET A 75 -10.977 7.898 1.569 1.00 0.00 H new ATOM 0 HA MET A 75 -9.722 10.019 0.264 1.00 0.00 H new ATOM 0 HB2 MET A 75 -11.743 8.101 -0.158 1.00 0.00 H new ATOM 0 HB3 MET A 75 -12.619 9.615 -0.252 1.00 0.00 H new ATOM 0 HG2 MET A 75 -10.026 9.164 -1.775 1.00 0.00 H new ATOM 0 HG3 MET A 75 -11.578 8.697 -2.440 1.00 0.00 H new ATOM 0 HE1 MET A 75 -9.838 12.334 -3.719 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.988 11.224 -2.618 1.00 0.00 H new ATOM 0 HE3 MET A 75 -9.787 10.591 -4.076 1.00 0.00 H new ATOM 1243 N LYS A 76 -11.952 11.072 2.350 1.00 0.00 N ATOM 1244 CA LYS A 76 -12.527 12.209 3.119 1.00 0.00 C ATOM 1245 C LYS A 76 -13.460 11.803 4.274 1.00 0.00 C ATOM 1246 O LYS A 76 -13.476 12.440 5.322 1.00 0.00 O ATOM 1247 CB LYS A 76 -13.272 13.215 2.240 1.00 0.00 C ATOM 1248 CG LYS A 76 -12.388 14.432 1.938 1.00 0.00 C ATOM 1249 CD LYS A 76 -12.830 15.142 0.655 1.00 0.00 C ATOM 1250 CE LYS A 76 -14.223 15.762 0.782 1.00 0.00 C ATOM 1251 NZ LYS A 76 -15.029 15.426 -0.397 1.00 0.00 N ATOM 0 H LYS A 76 -12.175 10.177 2.785 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.639 12.674 3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -13.573 12.738 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -14.184 13.538 2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.430 15.130 2.774 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.350 14.114 1.840 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.109 15.922 0.408 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.826 14.430 -0.171 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.713 15.396 1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.141 16.844 0.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -15.974 15.850 -0.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -14.566 15.796 -1.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.120 14.393 -0.473 1.00 0.00 H new ATOM 1265 N SER A 77 -14.134 10.670 4.106 1.00 0.00 N ATOM 1266 CA SER A 77 -15.051 10.072 5.104 1.00 0.00 C ATOM 1267 C SER A 77 -14.348 9.718 6.433 1.00 0.00 C ATOM 1268 O SER A 77 -14.827 10.058 7.512 1.00 0.00 O ATOM 1269 CB SER A 77 -15.671 8.824 4.468 1.00 0.00 C ATOM 1270 OG SER A 77 -16.955 8.552 5.023 1.00 0.00 O ATOM 0 H SER A 77 -14.064 10.117 3.252 1.00 0.00 H new ATOM 0 HA SER A 77 -15.816 10.803 5.365 1.00 0.00 H new ATOM 0 HB2 SER A 77 -15.759 8.966 3.391 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.015 7.968 4.624 1.00 0.00 H new ATOM 0 HG SER A 77 -17.331 7.752 4.600 1.00 0.00 H new ATOM 1276 N GLY A 78 -13.143 9.144 6.322 1.00 0.00 N ATOM 1277 CA GLY A 78 -12.251 8.859 7.464 1.00 0.00 C ATOM 1278 C GLY A 78 -11.359 10.054 7.843 1.00 0.00 C ATOM 1279 O GLY A 78 -10.785 10.083 8.932 1.00 0.00 O ATOM 0 H GLY A 78 -12.750 8.859 5.425 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -12.854 8.575 8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -11.620 8.004 7.220 1.00 0.00 H new ATOM 1283 N ASN A 79 -11.169 10.971 6.889 1.00 0.00 N ATOM 1284 CA ASN A 79 -10.265 12.137 6.995 1.00 0.00 C ATOM 1285 C ASN A 79 -8.808 11.725 7.292 1.00 0.00 C ATOM 1286 O ASN A 79 -8.471 10.541 7.350 1.00 0.00 O ATOM 1287 CB ASN A 79 -10.822 13.090 8.067 1.00 0.00 C ATOM 1288 CG ASN A 79 -11.283 14.432 7.498 1.00 0.00 C ATOM 1289 OD1 ASN A 79 -11.559 14.608 6.321 1.00 0.00 O ATOM 1290 ND2 ASN A 79 -11.248 15.449 8.328 1.00 0.00 N ATOM 0 H ASN A 79 -11.652 10.927 5.991 1.00 0.00 H new ATOM 0 HA ASN A 79 -10.231 12.650 6.034 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -11.660 12.609 8.571 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -10.055 13.266 8.821 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -11.452 16.390 7.991 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -11.017 15.298 9.310 1.00 0.00 H new ATOM 1297 N VAL A 80 -7.954 12.717 7.550 1.00 0.00 N ATOM 1298 CA VAL A 80 -6.590 12.483 8.090 1.00 0.00 C ATOM 1299 C VAL A 80 -6.624 11.628 9.377 1.00 0.00 C ATOM 1300 O VAL A 80 -5.723 10.820 9.580 1.00 0.00 O ATOM 1301 CB VAL A 80 -5.819 13.808 8.281 1.00 0.00 C ATOM 1302 CG1 VAL A 80 -4.411 13.608 8.862 1.00 0.00 C ATOM 1303 CG2 VAL A 80 -5.664 14.537 6.943 1.00 0.00 C ATOM 0 H VAL A 80 -8.174 13.701 7.396 1.00 0.00 H new ATOM 0 HA VAL A 80 -6.038 11.905 7.348 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.410 14.392 8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.922 14.576 8.972 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.485 13.126 9.837 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.826 12.980 8.190 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.119 15.468 7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.114 13.905 6.246 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.649 14.757 6.532 1.00 0.00 H new ATOM 1313 N LYS A 81 -7.761 11.643 10.081 1.00 0.00 N ATOM 1314 CA LYS A 81 -8.010 10.767 11.243 1.00 0.00 C ATOM 1315 C LYS A 81 -7.975 9.257 10.948 1.00 0.00 C ATOM 1316 O LYS A 81 -7.740 8.448 11.844 1.00 0.00 O ATOM 1317 CB LYS A 81 -9.318 11.126 11.954 1.00 0.00 C ATOM 1318 CG LYS A 81 -9.087 11.972 13.211 1.00 0.00 C ATOM 1319 CD LYS A 81 -8.044 11.344 14.146 1.00 0.00 C ATOM 1320 CE LYS A 81 -8.258 11.766 15.596 1.00 0.00 C ATOM 1321 NZ LYS A 81 -6.969 11.880 16.288 1.00 0.00 N ATOM 0 H LYS A 81 -8.541 12.264 9.864 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.163 10.963 11.901 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.964 11.671 11.266 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.843 10.211 12.227 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -8.759 12.970 12.921 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -10.029 12.090 13.746 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.096 10.258 14.072 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.044 11.638 13.825 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -8.783 12.721 15.630 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -8.889 11.037 16.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -7.129 12.168 17.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.483 10.961 16.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.380 12.592 15.811 1.00 0.00 H new ATOM 1335 N ASP A 82 -8.149 8.917 9.679 1.00 0.00 N ATOM 1336 CA ASP A 82 -7.980 7.547 9.163 1.00 0.00 C ATOM 1337 C ASP A 82 -6.575 7.346 8.570 1.00 0.00 C ATOM 1338 O ASP A 82 -5.959 6.297 8.759 1.00 0.00 O ATOM 1339 CB ASP A 82 -9.034 7.315 8.081 1.00 0.00 C ATOM 1340 CG ASP A 82 -9.633 5.907 8.107 1.00 0.00 C ATOM 1341 OD1 ASP A 82 -9.860 5.390 9.221 1.00 0.00 O ATOM 1342 OD2 ASP A 82 -9.940 5.424 6.996 1.00 0.00 O ATOM 0 H ASP A 82 -8.416 9.589 8.960 1.00 0.00 H new ATOM 0 HA ASP A 82 -8.100 6.836 9.980 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -9.835 8.045 8.202 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -8.586 7.493 7.104 1.00 0.00 H new ATOM 1347 N LEU A 83 -6.035 8.398 7.950 1.00 0.00 N ATOM 1348 CA LEU A 83 -4.691 8.339 7.346 1.00 0.00 C ATOM 1349 C LEU A 83 -3.581 8.219 8.392 1.00 0.00 C ATOM 1350 O LEU A 83 -2.704 7.380 8.225 1.00 0.00 O ATOM 1351 CB LEU A 83 -4.407 9.504 6.391 1.00 0.00 C ATOM 1352 CG LEU A 83 -3.249 9.275 5.389 1.00 0.00 C ATOM 1353 CD1 LEU A 83 -1.896 9.657 5.976 1.00 0.00 C ATOM 1354 CD2 LEU A 83 -3.172 7.845 4.836 1.00 0.00 C ATOM 0 H LEU A 83 -6.501 9.300 7.850 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.690 7.426 6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.315 9.719 5.828 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -4.182 10.391 6.984 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.485 9.936 4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.115 9.479 5.237 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.903 10.712 6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.701 9.054 6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.335 7.768 4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.027 7.144 5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.099 7.606 4.314 1.00 0.00 H new ATOM 1366 N THR A 84 -3.726 8.921 9.513 1.00 0.00 N ATOM 1367 CA THR A 84 -2.854 8.771 10.704 1.00 0.00 C ATOM 1368 C THR A 84 -2.639 7.297 11.125 1.00 0.00 C ATOM 1369 O THR A 84 -1.530 6.899 11.475 1.00 0.00 O ATOM 1370 CB THR A 84 -3.371 9.630 11.878 1.00 0.00 C ATOM 1371 OG1 THR A 84 -2.525 9.472 13.015 1.00 0.00 O ATOM 1372 CG2 THR A 84 -4.812 9.334 12.295 1.00 0.00 C ATOM 0 H THR A 84 -4.457 9.622 9.634 1.00 0.00 H new ATOM 0 HA THR A 84 -1.870 9.141 10.416 1.00 0.00 H new ATOM 0 HB THR A 84 -3.354 10.656 11.509 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.862 10.023 13.752 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.091 9.983 13.125 1.00 0.00 H new ATOM 0 HG22 THR A 84 -5.479 9.516 11.452 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.894 8.292 12.605 1.00 0.00 H new ATOM 1380 N GLN A 85 -3.639 6.466 10.829 1.00 0.00 N ATOM 1381 CA GLN A 85 -3.595 5.010 11.063 1.00 0.00 C ATOM 1382 C GLN A 85 -3.098 4.206 9.858 1.00 0.00 C ATOM 1383 O GLN A 85 -2.188 3.397 10.008 1.00 0.00 O ATOM 1384 CB GLN A 85 -4.968 4.496 11.475 1.00 0.00 C ATOM 1385 CG GLN A 85 -5.093 4.566 12.995 1.00 0.00 C ATOM 1386 CD GLN A 85 -6.547 4.443 13.439 1.00 0.00 C ATOM 1387 OE1 GLN A 85 -7.477 4.956 12.832 1.00 0.00 O ATOM 1388 NE2 GLN A 85 -6.762 3.802 14.562 1.00 0.00 N ATOM 0 H GLN A 85 -4.516 6.782 10.415 1.00 0.00 H new ATOM 0 HA GLN A 85 -2.873 4.862 11.866 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.749 5.094 11.006 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.103 3.470 11.134 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -4.504 3.768 13.447 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.680 5.509 13.353 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -5.982 3.376 15.064 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.709 3.729 14.934 1.00 0.00 H new ATOM 1397 N ALA A 86 -3.642 4.483 8.673 1.00 0.00 N ATOM 1398 CA ALA A 86 -3.153 3.883 7.412 1.00 0.00 C ATOM 1399 C ALA A 86 -1.647 4.114 7.185 1.00 0.00 C ATOM 1400 O ALA A 86 -0.928 3.162 6.896 1.00 0.00 O ATOM 1401 CB ALA A 86 -3.976 4.403 6.233 1.00 0.00 C ATOM 0 H ALA A 86 -4.427 5.122 8.550 1.00 0.00 H new ATOM 0 HA ALA A 86 -3.284 2.804 7.492 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.610 3.957 5.309 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.023 4.136 6.375 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -3.882 5.487 6.174 1.00 0.00 H new ATOM 1407 N TRP A 87 -1.163 5.270 7.642 1.00 0.00 N ATOM 1408 CA TRP A 87 0.268 5.624 7.716 1.00 0.00 C ATOM 1409 C TRP A 87 1.011 4.691 8.668 1.00 0.00 C ATOM 1410 O TRP A 87 2.030 4.134 8.285 1.00 0.00 O ATOM 1411 CB TRP A 87 0.401 7.074 8.188 1.00 0.00 C ATOM 1412 CG TRP A 87 1.608 7.405 9.088 1.00 0.00 C ATOM 1413 CD1 TRP A 87 1.511 7.789 10.362 1.00 0.00 C ATOM 1414 CD2 TRP A 87 2.950 7.250 8.801 1.00 0.00 C ATOM 1415 NE1 TRP A 87 2.729 7.883 10.887 1.00 0.00 N ATOM 1416 CE2 TRP A 87 3.635 7.577 9.975 1.00 0.00 C ATOM 1417 CE3 TRP A 87 3.656 6.882 7.662 1.00 0.00 C ATOM 1418 CZ2 TRP A 87 5.022 7.559 9.989 1.00 0.00 C ATOM 1419 CZ3 TRP A 87 5.041 6.907 7.670 1.00 0.00 C ATOM 1420 CH2 TRP A 87 5.725 7.256 8.838 1.00 0.00 C ATOM 0 H TRP A 87 -1.771 6.015 7.984 1.00 0.00 H new ATOM 0 HA TRP A 87 0.712 5.516 6.726 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.448 7.715 7.307 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.508 7.340 8.728 1.00 0.00 H new ATOM 0 HD1 TRP A 87 0.588 7.992 10.885 1.00 0.00 H new ATOM 0 HE1 TRP A 87 2.933 8.151 11.850 1.00 0.00 H new ATOM 0 HE3 TRP A 87 3.126 6.577 6.772 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 5.554 7.782 10.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 5.592 6.657 6.775 1.00 0.00 H new ATOM 0 HH2 TRP A 87 6.804 7.289 8.841 1.00 0.00 H new ATOM 1431 N ASP A 88 0.415 4.440 9.829 1.00 0.00 N ATOM 1432 CA ASP A 88 0.999 3.548 10.834 1.00 0.00 C ATOM 1433 C ASP A 88 1.072 2.127 10.269 1.00 0.00 C ATOM 1434 O ASP A 88 2.131 1.540 10.344 1.00 0.00 O ATOM 1435 CB ASP A 88 0.181 3.595 12.128 1.00 0.00 C ATOM 1436 CG ASP A 88 1.025 3.399 13.394 1.00 0.00 C ATOM 1437 OD1 ASP A 88 2.264 3.557 13.313 1.00 0.00 O ATOM 1438 OD2 ASP A 88 0.394 3.186 14.450 1.00 0.00 O ATOM 0 H ASP A 88 -0.481 4.844 10.102 1.00 0.00 H new ATOM 0 HA ASP A 88 2.010 3.878 11.074 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -0.333 4.554 12.189 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -0.588 2.823 12.091 1.00 0.00 H new ATOM 1443 N LEU A 89 0.092 1.725 9.460 1.00 0.00 N ATOM 1444 CA LEU A 89 0.085 0.381 8.852 1.00 0.00 C ATOM 1445 C LEU A 89 1.132 0.279 7.736 1.00 0.00 C ATOM 1446 O LEU A 89 2.041 -0.539 7.841 1.00 0.00 O ATOM 1447 CB LEU A 89 -1.323 -0.013 8.375 1.00 0.00 C ATOM 1448 CG LEU A 89 -2.488 0.179 9.373 1.00 0.00 C ATOM 1449 CD1 LEU A 89 -3.630 -0.774 9.027 1.00 0.00 C ATOM 1450 CD2 LEU A 89 -2.150 0.044 10.865 1.00 0.00 C ATOM 0 H LEU A 89 -0.708 2.304 9.207 1.00 0.00 H new ATOM 0 HA LEU A 89 0.365 -0.341 9.619 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.549 0.563 7.478 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.299 -1.063 8.082 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.770 1.224 9.249 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.448 -0.634 9.734 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -3.984 -0.566 8.017 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.275 -1.803 9.083 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.051 0.201 11.458 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.756 -0.953 11.060 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.402 0.789 11.138 1.00 0.00 H new ATOM 1462 N TYR A 90 1.176 1.324 6.915 1.00 0.00 N ATOM 1463 CA TYR A 90 2.170 1.533 5.848 1.00 0.00 C ATOM 1464 C TYR A 90 3.618 1.637 6.333 1.00 0.00 C ATOM 1465 O TYR A 90 4.514 1.061 5.728 1.00 0.00 O ATOM 1466 CB TYR A 90 1.781 2.802 5.084 1.00 0.00 C ATOM 1467 CG TYR A 90 0.446 2.695 4.346 1.00 0.00 C ATOM 1468 CD1 TYR A 90 -0.241 1.489 4.165 1.00 0.00 C ATOM 1469 CD2 TYR A 90 -0.146 3.881 3.923 1.00 0.00 C ATOM 1470 CE1 TYR A 90 -1.490 1.474 3.588 1.00 0.00 C ATOM 1471 CE2 TYR A 90 -1.394 3.868 3.340 1.00 0.00 C ATOM 1472 CZ TYR A 90 -2.080 2.667 3.180 1.00 0.00 C ATOM 1473 OH TYR A 90 -3.259 2.648 2.527 1.00 0.00 O ATOM 0 H TYR A 90 0.497 2.083 6.971 1.00 0.00 H new ATOM 0 HA TYR A 90 2.150 0.648 5.212 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.732 3.636 5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 90 2.565 3.036 4.364 1.00 0.00 H new ATOM 0 HD1 TYR A 90 0.213 0.562 4.481 1.00 0.00 H new ATOM 0 HD2 TYR A 90 0.376 4.817 4.053 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -2.012 0.538 3.452 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -1.842 4.792 3.006 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.962 2.326 3.130 1.00 0.00 H new ATOM 1483 N TYR A 91 3.803 2.370 7.422 1.00 0.00 N ATOM 1484 CA TYR A 91 5.081 2.561 8.123 1.00 0.00 C ATOM 1485 C TYR A 91 5.518 1.355 8.969 1.00 0.00 C ATOM 1486 O TYR A 91 6.688 0.978 8.990 1.00 0.00 O ATOM 1487 CB TYR A 91 4.927 3.776 9.036 1.00 0.00 C ATOM 1488 CG TYR A 91 6.260 4.289 9.549 1.00 0.00 C ATOM 1489 CD1 TYR A 91 7.327 4.502 8.678 1.00 0.00 C ATOM 1490 CD2 TYR A 91 6.387 4.598 10.901 1.00 0.00 C ATOM 1491 CE1 TYR A 91 8.508 5.021 9.150 1.00 0.00 C ATOM 1492 CE2 TYR A 91 7.569 5.116 11.376 1.00 0.00 C ATOM 1493 CZ TYR A 91 8.634 5.343 10.502 1.00 0.00 C ATOM 1494 OH TYR A 91 9.762 5.933 10.942 1.00 0.00 O ATOM 0 H TYR A 91 3.036 2.874 7.867 1.00 0.00 H new ATOM 0 HA TYR A 91 5.854 2.696 7.366 1.00 0.00 H new ATOM 0 HB2 TYR A 91 4.419 4.573 8.493 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.292 3.513 9.882 1.00 0.00 H new ATOM 0 HD1 TYR A 91 7.225 4.259 7.631 1.00 0.00 H new ATOM 0 HD2 TYR A 91 5.559 4.431 11.575 1.00 0.00 H new ATOM 0 HE1 TYR A 91 9.337 5.179 8.476 1.00 0.00 H new ATOM 0 HE2 TYR A 91 7.674 5.347 12.426 1.00 0.00 H new ATOM 0 HH TYR A 91 9.693 6.093 11.906 1.00 0.00 H new ATOM 1504 N HIS A 92 4.557 0.743 9.647 1.00 0.00 N ATOM 1505 CA HIS A 92 4.779 -0.437 10.507 1.00 0.00 C ATOM 1506 C HIS A 92 5.207 -1.622 9.646 1.00 0.00 C ATOM 1507 O HIS A 92 6.143 -2.349 9.970 1.00 0.00 O ATOM 1508 CB HIS A 92 3.501 -0.804 11.262 1.00 0.00 C ATOM 1509 CG HIS A 92 3.706 -2.000 12.187 1.00 0.00 C ATOM 1510 ND1 HIS A 92 4.385 -1.971 13.324 1.00 0.00 N ATOM 1511 CD2 HIS A 92 3.240 -3.227 12.002 1.00 0.00 C ATOM 1512 CE1 HIS A 92 4.320 -3.192 13.855 1.00 0.00 C ATOM 1513 NE2 HIS A 92 3.612 -3.968 13.040 1.00 0.00 N ATOM 0 H HIS A 92 3.584 1.048 9.622 1.00 0.00 H new ATOM 0 HA HIS A 92 5.559 -0.196 11.229 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.167 0.053 11.847 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.710 -1.030 10.547 1.00 0.00 H new ATOM 0 HD2 HIS A 92 2.660 -3.565 11.156 1.00 0.00 H new ATOM 0 HE1 HIS A 92 4.767 -3.499 14.789 1.00 0.00 H new ATOM 0 HE2 HIS A 92 3.394 -4.954 13.185 1.00 0.00 H new ATOM 1521 N VAL A 93 4.515 -1.751 8.525 1.00 0.00 N ATOM 1522 CA VAL A 93 4.877 -2.768 7.546 1.00 0.00 C ATOM 1523 C VAL A 93 6.100 -2.306 6.751 1.00 0.00 C ATOM 1524 O VAL A 93 6.760 -3.174 6.196 1.00 0.00 O ATOM 1525 CB VAL A 93 3.693 -3.096 6.642 1.00 0.00 C ATOM 1526 CG1 VAL A 93 3.427 -1.969 5.642 1.00 0.00 C ATOM 1527 CG2 VAL A 93 3.938 -4.461 5.999 1.00 0.00 C ATOM 0 H VAL A 93 3.712 -1.175 8.271 1.00 0.00 H new ATOM 0 HA VAL A 93 5.142 -3.690 8.064 1.00 0.00 H new ATOM 0 HB VAL A 93 2.773 -3.167 7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.577 -2.234 5.013 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.206 -1.048 6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 93 4.308 -1.821 5.018 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.100 -4.712 5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.856 -4.427 5.412 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.033 -5.218 6.777 1.00 0.00 H new ATOM 1537 N PHE A 94 6.242 -0.992 6.535 1.00 0.00 N ATOM 1538 CA PHE A 94 7.372 -0.382 5.815 1.00 0.00 C ATOM 1539 C PHE A 94 8.660 -1.167 6.035 1.00 0.00 C ATOM 1540 O PHE A 94 9.089 -1.757 5.080 1.00 0.00 O ATOM 1541 CB PHE A 94 7.578 1.096 6.161 1.00 0.00 C ATOM 1542 CG PHE A 94 8.671 1.755 5.335 1.00 0.00 C ATOM 1543 CD1 PHE A 94 10.011 1.517 5.640 1.00 0.00 C ATOM 1544 CD2 PHE A 94 8.338 2.637 4.312 1.00 0.00 C ATOM 1545 CE1 PHE A 94 11.006 2.145 4.925 1.00 0.00 C ATOM 1546 CE2 PHE A 94 9.334 3.279 3.608 1.00 0.00 C ATOM 1547 CZ PHE A 94 10.678 3.034 3.907 1.00 0.00 C ATOM 0 H PHE A 94 5.561 -0.307 6.862 1.00 0.00 H new ATOM 0 HA PHE A 94 7.111 -0.426 4.758 1.00 0.00 H new ATOM 0 HB2 PHE A 94 6.642 1.633 6.008 1.00 0.00 H new ATOM 0 HB3 PHE A 94 7.827 1.184 7.219 1.00 0.00 H new ATOM 0 HD1 PHE A 94 10.269 0.838 6.439 1.00 0.00 H new ATOM 0 HD2 PHE A 94 7.301 2.818 4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 94 12.042 1.947 5.155 1.00 0.00 H new ATOM 0 HE2 PHE A 94 9.076 3.974 2.823 1.00 0.00 H new ATOM 0 HZ PHE A 94 11.457 3.533 3.350 1.00 0.00 H new ATOM 1557 N ARG A 95 8.960 -1.500 7.295 1.00 0.00 N ATOM 1558 CA ARG A 95 10.139 -2.329 7.640 1.00 0.00 C ATOM 1559 C ARG A 95 10.179 -3.729 6.999 1.00 0.00 C ATOM 1560 O ARG A 95 11.162 -4.089 6.350 1.00 0.00 O ATOM 1561 CB ARG A 95 10.265 -2.424 9.161 1.00 0.00 C ATOM 1562 CG ARG A 95 10.939 -1.148 9.667 1.00 0.00 C ATOM 1563 CD ARG A 95 10.663 -0.883 11.149 1.00 0.00 C ATOM 1564 NE ARG A 95 11.555 -1.607 12.075 1.00 0.00 N ATOM 1565 CZ ARG A 95 12.857 -1.374 12.285 1.00 0.00 C ATOM 1566 NH1 ARG A 95 13.538 -0.485 11.574 1.00 0.00 N ATOM 1567 NH2 ARG A 95 13.511 -2.051 13.215 1.00 0.00 N ATOM 0 H ARG A 95 8.406 -1.211 8.101 1.00 0.00 H new ATOM 0 HA ARG A 95 10.998 -1.815 7.208 1.00 0.00 H new ATOM 0 HB2 ARG A 95 9.282 -2.541 9.617 1.00 0.00 H new ATOM 0 HB3 ARG A 95 10.852 -3.299 9.440 1.00 0.00 H new ATOM 0 HG2 ARG A 95 12.015 -1.223 9.510 1.00 0.00 H new ATOM 0 HG3 ARG A 95 10.589 -0.299 9.079 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.755 0.187 11.337 1.00 0.00 H new ATOM 0 HD3 ARG A 95 9.631 -1.158 11.369 1.00 0.00 H new ATOM 0 HE ARG A 95 11.135 -2.366 12.612 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.071 0.047 10.840 1.00 0.00 H new ATOM 0 HH12 ARG A 95 14.529 -0.333 11.761 1.00 0.00 H new ATOM 0 HH21 ARG A 95 13.024 -2.752 13.773 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.503 -1.872 13.373 1.00 0.00 H new ATOM 1581 N ARG A 96 9.021 -4.375 6.966 1.00 0.00 N ATOM 1582 CA ARG A 96 8.801 -5.672 6.296 1.00 0.00 C ATOM 1583 C ARG A 96 8.860 -5.531 4.762 1.00 0.00 C ATOM 1584 O ARG A 96 9.655 -6.200 4.105 1.00 0.00 O ATOM 1585 CB ARG A 96 7.472 -6.255 6.795 1.00 0.00 C ATOM 1586 CG ARG A 96 6.874 -7.316 5.867 1.00 0.00 C ATOM 1587 CD ARG A 96 6.426 -8.521 6.670 1.00 0.00 C ATOM 1588 NE ARG A 96 7.421 -9.606 6.599 1.00 0.00 N ATOM 1589 CZ ARG A 96 7.535 -10.603 7.481 1.00 0.00 C ATOM 1590 NH1 ARG A 96 6.810 -10.637 8.589 1.00 0.00 N ATOM 1591 NH2 ARG A 96 8.402 -11.582 7.287 1.00 0.00 N ATOM 0 H ARG A 96 8.180 -4.011 7.413 1.00 0.00 H new ATOM 0 HA ARG A 96 9.601 -6.367 6.551 1.00 0.00 H new ATOM 0 HB2 ARG A 96 7.626 -6.694 7.781 1.00 0.00 H new ATOM 0 HB3 ARG A 96 6.753 -5.445 6.915 1.00 0.00 H new ATOM 0 HG2 ARG A 96 6.028 -6.898 5.322 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.613 -7.619 5.125 1.00 0.00 H new ATOM 0 HD2 ARG A 96 6.272 -8.232 7.710 1.00 0.00 H new ATOM 0 HD3 ARG A 96 5.467 -8.877 6.293 1.00 0.00 H new ATOM 0 HE ARG A 96 8.074 -9.595 5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.144 -9.890 8.786 1.00 0.00 H new ATOM 0 HH12 ARG A 96 6.917 -11.410 9.245 1.00 0.00 H new ATOM 0 HH21 ARG A 96 8.994 -11.582 6.456 1.00 0.00 H new ATOM 0 HH22 ARG A 96 8.479 -12.337 7.968 1.00 0.00 H new ATOM 1605 N ILE A 97 7.967 -4.699 4.226 1.00 0.00 N ATOM 1606 CA ILE A 97 7.898 -4.364 2.785 1.00 0.00 C ATOM 1607 C ILE A 97 9.040 -3.461 2.279 1.00 0.00 C ATOM 1608 O ILE A 97 8.983 -2.923 1.177 1.00 0.00 O ATOM 1609 CB ILE A 97 6.541 -3.747 2.405 1.00 0.00 C ATOM 1610 CG1 ILE A 97 6.058 -2.677 3.374 1.00 0.00 C ATOM 1611 CG2 ILE A 97 5.481 -4.827 2.326 1.00 0.00 C ATOM 1612 CD1 ILE A 97 6.022 -1.283 2.773 1.00 0.00 C ATOM 0 H ILE A 97 7.255 -4.226 4.782 1.00 0.00 H new ATOM 0 HA ILE A 97 8.017 -5.324 2.283 1.00 0.00 H new ATOM 0 HB ILE A 97 6.698 -3.269 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.059 -2.939 3.723 1.00 0.00 H new ATOM 0 HG13 ILE A 97 6.709 -2.670 4.248 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.525 -4.379 2.056 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.764 -5.560 1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 97 5.391 -5.320 3.294 1.00 0.00 H new ATOM 0 HD11 ILE A 97 5.668 -0.573 3.521 1.00 0.00 H new ATOM 0 HD12 ILE A 97 7.024 -1.000 2.450 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.348 -1.273 1.916 1.00 0.00 H new ATOM 1624 N SER A 98 10.032 -3.263 3.134 1.00 0.00 N ATOM 1625 CA SER A 98 11.222 -2.438 2.853 1.00 0.00 C ATOM 1626 C SER A 98 12.202 -3.308 2.070 1.00 0.00 C ATOM 1627 O SER A 98 12.098 -3.433 0.850 1.00 0.00 O ATOM 1628 CB SER A 98 11.813 -1.892 4.172 1.00 0.00 C ATOM 1629 OG SER A 98 13.168 -1.450 4.072 1.00 0.00 O ATOM 0 H SER A 98 10.043 -3.676 4.067 1.00 0.00 H new ATOM 0 HA SER A 98 10.976 -1.562 2.253 1.00 0.00 H new ATOM 0 HB2 SER A 98 11.197 -1.061 4.516 1.00 0.00 H new ATOM 0 HB3 SER A 98 11.752 -2.670 4.933 1.00 0.00 H new ATOM 0 HG SER A 98 13.469 -1.118 4.944 1.00 0.00 H new ATOM 1635 N LYS A 99 12.903 -4.124 2.845 1.00 0.00 N ATOM 1636 CA LYS A 99 13.969 -5.012 2.366 1.00 0.00 C ATOM 1637 C LYS A 99 14.297 -6.083 3.419 1.00 0.00 C ATOM 1638 O LYS A 99 15.454 -6.425 3.656 1.00 0.00 O ATOM 1639 CB LYS A 99 15.212 -4.186 1.987 1.00 0.00 C ATOM 1640 CG LYS A 99 15.818 -3.377 3.140 1.00 0.00 C ATOM 1641 CD LYS A 99 17.325 -3.305 2.928 1.00 0.00 C ATOM 1642 CE LYS A 99 17.999 -2.350 3.908 1.00 0.00 C ATOM 1643 NZ LYS A 99 19.402 -2.183 3.506 1.00 0.00 N ATOM 0 H LYS A 99 12.747 -4.193 3.851 1.00 0.00 H new ATOM 0 HA LYS A 99 13.625 -5.532 1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 99 15.973 -4.860 1.594 1.00 0.00 H new ATOM 0 HB3 LYS A 99 14.945 -3.502 1.182 1.00 0.00 H new ATOM 0 HG2 LYS A 99 15.389 -2.375 3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.590 -3.848 4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.754 -4.301 3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 99 17.532 -2.982 1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.488 -1.387 3.910 1.00 0.00 H new ATOM 0 HE3 LYS A 99 17.940 -2.744 4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 19.877 -1.534 4.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 19.881 -3.106 3.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 19.443 -1.791 2.544 1.00 0.00 H new