USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 852 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 98 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 102 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.3) USER MOD Set 2.1: A 20 TYR OH : rot 19:sc= -2.82! USER MOD Set 2.2: A 43 HIS : no HD1:sc= -1.18 K(o=-4,f=-18!) USER MOD Set 3.1: A 39 CYS SG : rot 85:sc= -3.14! USER MOD Set 3.2: A 63 ASN : amide:sc= -6.42! C(o=-9.6!,f=-20!) USER MOD Set 4.1: A 22 HIS : no HE2:sc= -3.07! C(o=-4.8!,f=-13!) USER MOD Set 4.2: A 36 MET CE :methyl -141:sc= -1.13 (180deg=0) USER MOD Set 4.3: A 52 TYR OH : rot 90:sc= -0.581 USER MOD Single : A 7 ASN :FLIP amide:sc= -0.209 F(o=-1.6,f=-0.21) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot -44:sc= -4.46! USER MOD Single : A 16 MET CE :methyl -173:sc= -3.15! (180deg=-3.66!) USER MOD Single : A 17 THR OG1 : rot 7:sc= -0.8 USER MOD Single : A 19 ASN : amide:sc= -0.118 K(o=-0.12,f=-2.2!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 27 ASN : amide:sc= -0.19 X(o=-0.19,f=-0.68) USER MOD Single : A 29 SER OG : rot 92:sc= 0.307 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -133:sc= 0.0819 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0298 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.081) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 83:sc= -1.03! USER MOD Single : A 69 SER OG : rot -170:sc=-0.00804 USER MOD Single : A 70 THR OG1 : rot 73:sc= 1.1 USER MOD Single : A 73 LYS NZ :NH3+ -123:sc= -1.44 (180deg=-3.94!) USER MOD Single : A 77 CYS SG : rot 85:sc= -3.4! USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 86 MET CE :methyl -140:sc= -3.74 (180deg=-9.05!) USER MOD Single : A 94 SER OG : rot 180:sc= -0.0033 USER MOD Single : A 95 LYS NZ :NH3+ 152:sc= -0.3 (180deg=-1.3!) USER MOD Single : A 96 CYS SG : rot 180:sc= -0.727 USER MOD Single : A 99 THR OG1 : rot 94:sc= 0.976 USER MOD Single : A 100 TYR OH : rot 165:sc=-0.00358 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 170:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.31 F(o=-0.87,f=-0.31) USER MOD Single : A 111 LYS NZ :NH3+ -146:sc= -0.193 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 83 N ASN A 7 3.350 12.707 5.438 1.00 0.00 N ATOM 84 CA ASN A 7 2.974 13.425 4.228 1.00 0.00 C ATOM 85 C ASN A 7 3.742 12.867 3.038 1.00 0.00 C ATOM 86 O ASN A 7 3.197 12.719 1.944 1.00 0.00 O ATOM 87 CB ASN A 7 3.280 14.913 4.387 1.00 0.00 C ATOM 88 CG ASN A 7 2.670 15.700 3.237 1.00 0.00 C ATOM 89 OD1 ASN A 7 3.143 15.549 2.031 1.00 0.00 O flip ATOM 90 ND2 ASN A 7 1.736 16.476 3.442 1.00 0.00 N flip ATOM 0 HA ASN A 7 1.905 13.298 4.058 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.883 15.274 5.336 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.358 15.069 4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.368 16.593 4.386 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.331 17.002 2.668 1.00 0.00 H new ATOM 97 N MET A 8 5.015 12.557 3.265 1.00 0.00 N ATOM 98 CA MET A 8 5.861 12.012 2.214 1.00 0.00 C ATOM 99 C MET A 8 5.273 10.710 1.683 1.00 0.00 C ATOM 100 O MET A 8 5.177 10.509 0.473 1.00 0.00 O ATOM 101 CB MET A 8 7.263 11.755 2.782 1.00 0.00 C ATOM 102 CG MET A 8 8.179 11.145 1.713 1.00 0.00 C ATOM 103 SD MET A 8 8.348 12.292 0.324 1.00 0.00 S ATOM 104 CE MET A 8 9.375 11.227 -0.717 1.00 0.00 C ATOM 0 H MET A 8 5.480 12.674 4.165 1.00 0.00 H new ATOM 0 HA MET A 8 5.920 12.726 1.393 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.691 12.690 3.144 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.196 11.083 3.637 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.158 10.930 2.140 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.767 10.197 1.366 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.607 11.743 -1.649 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.301 10.990 -0.193 1.00 0.00 H new ATOM 0 HE3 MET A 8 8.837 10.305 -0.937 1.00 0.00 H new ATOM 114 N LEU A 9 4.879 9.834 2.598 1.00 0.00 N ATOM 115 CA LEU A 9 4.302 8.556 2.229 1.00 0.00 C ATOM 116 C LEU A 9 2.999 8.761 1.477 1.00 0.00 C ATOM 117 O LEU A 9 2.741 8.106 0.469 1.00 0.00 O ATOM 118 CB LEU A 9 4.021 7.760 3.496 1.00 0.00 C ATOM 119 CG LEU A 9 5.331 7.371 4.174 1.00 0.00 C ATOM 120 CD1 LEU A 9 5.026 6.783 5.552 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.098 6.335 3.323 1.00 0.00 C ATOM 0 H LEU A 9 4.950 9.990 3.604 1.00 0.00 H new ATOM 0 HA LEU A 9 5.002 8.020 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.411 8.352 4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.449 6.865 3.253 1.00 0.00 H new ATOM 0 HG LEU A 9 5.954 8.259 4.278 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.958 6.503 6.042 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.506 7.526 6.158 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.396 5.901 5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.029 6.071 3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.486 5.441 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.320 6.761 2.345 1.00 0.00 H new ATOM 133 N LEU A 10 2.181 9.679 1.985 1.00 0.00 N ATOM 134 CA LEU A 10 0.895 9.961 1.359 1.00 0.00 C ATOM 135 C LEU A 10 1.124 10.453 -0.064 1.00 0.00 C ATOM 136 O LEU A 10 0.493 9.981 -1.009 1.00 0.00 O ATOM 137 CB LEU A 10 0.131 11.014 2.184 1.00 0.00 C ATOM 138 CG LEU A 10 -1.197 11.384 1.502 1.00 0.00 C ATOM 139 CD1 LEU A 10 -2.044 10.121 1.283 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.971 12.381 2.387 1.00 0.00 C ATOM 0 H LEU A 10 2.383 10.233 2.817 1.00 0.00 H new ATOM 0 HA LEU A 10 0.295 9.052 1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.064 10.627 3.184 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.746 11.906 2.302 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.987 11.843 0.536 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.983 10.392 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.498 9.422 0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.253 9.652 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.912 12.643 1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.176 11.925 3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.373 13.281 2.529 1.00 0.00 H new ATOM 152 N GLU A 11 2.045 11.393 -0.205 1.00 0.00 N ATOM 153 CA GLU A 11 2.379 11.952 -1.510 1.00 0.00 C ATOM 154 C GLU A 11 2.858 10.856 -2.440 1.00 0.00 C ATOM 155 O GLU A 11 2.348 10.652 -3.544 1.00 0.00 O ATOM 156 CB GLU A 11 3.516 12.943 -1.314 1.00 0.00 C ATOM 157 CG GLU A 11 3.819 13.657 -2.627 1.00 0.00 C ATOM 158 CD GLU A 11 4.916 14.693 -2.412 1.00 0.00 C ATOM 159 OE1 GLU A 11 5.181 15.023 -1.267 1.00 0.00 O ATOM 160 OE2 GLU A 11 5.483 15.134 -3.397 1.00 0.00 O ATOM 0 H GLU A 11 2.578 11.788 0.570 1.00 0.00 H new ATOM 0 HA GLU A 11 1.500 12.431 -1.942 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.247 13.671 -0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.406 12.422 -0.960 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.132 12.934 -3.380 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.918 14.141 -3.004 1.00 0.00 H new ATOM 167 N TRP A 12 3.853 10.168 -1.938 1.00 0.00 N ATOM 168 CA TRP A 12 4.507 9.062 -2.607 1.00 0.00 C ATOM 169 C TRP A 12 3.493 8.003 -3.056 1.00 0.00 C ATOM 170 O TRP A 12 3.338 7.744 -4.250 1.00 0.00 O ATOM 171 CB TRP A 12 5.462 8.524 -1.552 1.00 0.00 C ATOM 172 CG TRP A 12 6.246 7.347 -1.991 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.362 7.375 -2.747 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.027 5.970 -1.622 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.839 6.082 -2.876 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.042 5.177 -2.197 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.040 5.344 -0.851 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.082 3.797 -2.007 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.069 3.955 -0.655 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.090 3.181 -1.231 1.00 0.00 C ATOM 0 H TRP A 12 4.247 10.367 -1.019 1.00 0.00 H new ATOM 0 HA TRP A 12 5.021 9.360 -3.521 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.150 9.318 -1.261 1.00 0.00 H new ATOM 0 HB3 TRP A 12 4.891 8.256 -0.663 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.809 8.258 -3.179 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.673 5.828 -3.405 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.252 5.933 -0.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.869 3.208 -2.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.304 3.479 -0.059 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.111 2.112 -1.076 1.00 0.00 H new ATOM 191 N CYS A 13 2.792 7.407 -2.098 1.00 0.00 N ATOM 192 CA CYS A 13 1.791 6.388 -2.404 1.00 0.00 C ATOM 193 C CYS A 13 0.789 6.898 -3.450 1.00 0.00 C ATOM 194 O CYS A 13 0.438 6.187 -4.394 1.00 0.00 O ATOM 195 CB CYS A 13 1.056 6.023 -1.109 1.00 0.00 C ATOM 196 SG CYS A 13 -0.115 7.337 -0.682 1.00 0.00 S ATOM 0 H CYS A 13 2.897 7.610 -1.104 1.00 0.00 H new ATOM 0 HA CYS A 13 2.287 5.510 -2.818 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.528 5.078 -1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.772 5.884 -0.299 1.00 0.00 H new ATOM 0 HG CYS A 13 0.458 8.494 -0.832 1.00 0.00 H new ATOM 202 N ARG A 14 0.352 8.135 -3.264 1.00 0.00 N ATOM 203 CA ARG A 14 -0.599 8.763 -4.184 1.00 0.00 C ATOM 204 C ARG A 14 0.022 8.899 -5.569 1.00 0.00 C ATOM 205 O ARG A 14 -0.582 8.574 -6.587 1.00 0.00 O ATOM 206 CB ARG A 14 -0.963 10.156 -3.680 1.00 0.00 C ATOM 207 CG ARG A 14 -2.174 10.684 -4.455 1.00 0.00 C ATOM 208 CD ARG A 14 -2.484 12.115 -4.008 1.00 0.00 C ATOM 209 NE ARG A 14 -1.386 13.008 -4.372 1.00 0.00 N ATOM 210 CZ ARG A 14 -1.320 13.569 -5.577 1.00 0.00 C ATOM 211 NH1 ARG A 14 -0.905 12.873 -6.600 1.00 0.00 N ATOM 212 NH2 ARG A 14 -1.669 14.817 -5.737 1.00 0.00 N ATOM 0 H ARG A 14 0.638 8.728 -2.485 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.490 8.138 -4.238 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.188 10.120 -2.614 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.116 10.831 -3.805 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.971 10.662 -5.526 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -3.038 10.042 -4.281 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -3.409 12.456 -4.473 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.641 12.141 -2.930 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.655 13.205 -3.688 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.631 11.898 -6.476 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.855 13.304 -7.523 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.992 15.363 -4.938 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.618 15.246 -6.661 1.00 0.00 H new ATOM 226 N ALA A 15 1.240 9.398 -5.583 1.00 0.00 N ATOM 227 CA ALA A 15 1.967 9.604 -6.834 1.00 0.00 C ATOM 228 C ALA A 15 2.026 8.319 -7.654 1.00 0.00 C ATOM 229 O ALA A 15 2.434 8.333 -8.815 1.00 0.00 O ATOM 230 CB ALA A 15 3.387 10.080 -6.533 1.00 0.00 C ATOM 0 H ALA A 15 1.754 9.671 -4.746 1.00 0.00 H new ATOM 0 HA ALA A 15 1.437 10.360 -7.414 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.926 10.232 -7.468 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.347 11.019 -5.980 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.903 9.329 -5.935 1.00 0.00 H new ATOM 236 N MET A 16 1.632 7.206 -7.039 1.00 0.00 N ATOM 237 CA MET A 16 1.653 5.908 -7.712 1.00 0.00 C ATOM 238 C MET A 16 0.231 5.388 -7.923 1.00 0.00 C ATOM 239 O MET A 16 0.038 4.293 -8.441 1.00 0.00 O ATOM 240 CB MET A 16 2.474 4.918 -6.870 1.00 0.00 C ATOM 241 CG MET A 16 3.968 5.121 -7.151 1.00 0.00 C ATOM 242 SD MET A 16 4.435 6.842 -6.819 1.00 0.00 S ATOM 243 CE MET A 16 5.384 6.551 -5.308 1.00 0.00 C ATOM 0 H MET A 16 1.295 7.176 -6.077 1.00 0.00 H new ATOM 0 HA MET A 16 2.116 6.017 -8.693 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.269 5.069 -5.810 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.184 3.895 -7.108 1.00 0.00 H new ATOM 0 HG2 MET A 16 4.558 4.449 -6.528 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.189 4.870 -8.188 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.663 7.507 -4.864 1.00 0.00 H new ATOM 0 HE2 MET A 16 4.778 5.985 -4.601 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.285 5.986 -5.547 1.00 0.00 H new ATOM 253 N THR A 17 -0.760 6.185 -7.514 1.00 0.00 N ATOM 254 CA THR A 17 -2.169 5.800 -7.662 1.00 0.00 C ATOM 255 C THR A 17 -2.764 6.382 -8.945 1.00 0.00 C ATOM 256 O THR A 17 -3.877 6.025 -9.337 1.00 0.00 O ATOM 257 CB THR A 17 -2.977 6.309 -6.465 1.00 0.00 C ATOM 258 OG1 THR A 17 -2.645 7.662 -6.209 1.00 0.00 O ATOM 259 CG2 THR A 17 -2.664 5.461 -5.234 1.00 0.00 C ATOM 0 H THR A 17 -0.615 7.097 -7.080 1.00 0.00 H new ATOM 0 HA THR A 17 -2.217 4.712 -7.711 1.00 0.00 H new ATOM 0 HB THR A 17 -4.041 6.235 -6.691 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.061 7.996 -6.921 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.241 5.826 -4.384 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.927 4.422 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.600 5.529 -5.006 1.00 0.00 H new ATOM 267 N ARG A 18 -2.011 7.257 -9.604 1.00 0.00 N ATOM 268 CA ARG A 18 -2.460 7.859 -10.847 1.00 0.00 C ATOM 269 C ARG A 18 -2.595 6.782 -11.921 1.00 0.00 C ATOM 270 O ARG A 18 -3.546 6.766 -12.703 1.00 0.00 O ATOM 271 CB ARG A 18 -1.439 8.901 -11.284 1.00 0.00 C ATOM 272 CG ARG A 18 -2.046 9.765 -12.376 1.00 0.00 C ATOM 273 CD ARG A 18 -1.049 10.838 -12.790 1.00 0.00 C ATOM 274 NE ARG A 18 0.103 10.229 -13.436 1.00 0.00 N ATOM 275 CZ ARG A 18 1.145 10.957 -13.812 1.00 0.00 C ATOM 276 NH1 ARG A 18 2.097 11.218 -12.959 1.00 0.00 N ATOM 277 NH2 ARG A 18 1.213 11.413 -15.032 1.00 0.00 N ATOM 0 H ARG A 18 -1.088 7.563 -9.295 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.430 8.333 -10.701 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.146 9.519 -10.435 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.536 8.412 -11.650 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.311 9.150 -13.236 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.966 10.227 -12.019 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.525 11.545 -13.470 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.728 11.404 -11.915 1.00 0.00 H new ATOM 0 HE ARG A 18 0.109 9.223 -13.603 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.039 10.862 -12.005 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.900 11.778 -13.246 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.465 11.209 -15.695 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.014 11.973 -15.323 1.00 0.00 H new ATOM 291 N ASN A 19 -1.616 5.889 -11.927 1.00 0.00 N ATOM 292 CA ASN A 19 -1.580 4.785 -12.882 1.00 0.00 C ATOM 293 C ASN A 19 -2.789 3.881 -12.680 1.00 0.00 C ATOM 294 O ASN A 19 -3.348 3.340 -13.633 1.00 0.00 O ATOM 295 CB ASN A 19 -0.299 3.963 -12.688 1.00 0.00 C ATOM 296 CG ASN A 19 0.893 4.705 -13.281 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.719 5.632 -14.069 1.00 0.00 O ATOM 298 ND2 ASN A 19 2.103 4.343 -12.952 1.00 0.00 N ATOM 0 H ASN A 19 -0.830 5.906 -11.277 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.598 5.197 -13.891 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.132 3.780 -11.627 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.406 2.989 -13.166 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.907 4.830 -13.349 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.245 3.573 -12.298 1.00 0.00 H new ATOM 305 N TYR A 20 -3.173 3.721 -11.420 1.00 0.00 N ATOM 306 CA TYR A 20 -4.305 2.881 -11.053 1.00 0.00 C ATOM 307 C TYR A 20 -5.577 3.714 -10.938 1.00 0.00 C ATOM 308 O TYR A 20 -5.520 4.914 -10.668 1.00 0.00 O ATOM 309 CB TYR A 20 -4.006 2.210 -9.716 1.00 0.00 C ATOM 310 CG TYR A 20 -2.863 1.243 -9.890 1.00 0.00 C ATOM 311 CD1 TYR A 20 -3.109 -0.047 -10.366 1.00 0.00 C ATOM 312 CD2 TYR A 20 -1.561 1.635 -9.575 1.00 0.00 C ATOM 313 CE1 TYR A 20 -2.050 -0.948 -10.526 1.00 0.00 C ATOM 314 CE2 TYR A 20 -0.503 0.738 -9.734 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.743 -0.552 -10.207 1.00 0.00 C ATOM 316 OH TYR A 20 0.308 -1.434 -10.355 1.00 0.00 O ATOM 0 H TYR A 20 -2.711 4.167 -10.628 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.458 2.127 -11.825 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.752 2.961 -8.968 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.890 1.685 -9.353 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.117 -0.349 -10.611 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.372 2.633 -9.208 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.239 -1.946 -10.894 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.504 1.044 -9.490 1.00 0.00 H new ATOM 0 HH TYR A 20 0.043 -2.161 -10.957 1.00 0.00 H new ATOM 326 N GLU A 21 -6.725 3.073 -11.166 1.00 0.00 N ATOM 327 CA GLU A 21 -8.015 3.768 -11.101 1.00 0.00 C ATOM 328 C GLU A 21 -8.896 3.166 -10.022 1.00 0.00 C ATOM 329 O GLU A 21 -8.551 2.148 -9.419 1.00 0.00 O ATOM 330 CB GLU A 21 -8.729 3.655 -12.442 1.00 0.00 C ATOM 331 CG GLU A 21 -7.928 4.395 -13.511 1.00 0.00 C ATOM 332 CD GLU A 21 -8.665 4.331 -14.843 1.00 0.00 C ATOM 333 OE1 GLU A 21 -9.469 5.213 -15.091 1.00 0.00 O ATOM 334 OE2 GLU A 21 -8.416 3.401 -15.592 1.00 0.00 O ATOM 0 H GLU A 21 -6.790 2.081 -11.396 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.827 4.815 -10.864 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.842 2.607 -12.718 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.732 4.075 -12.368 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.782 5.434 -13.215 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.938 3.950 -13.611 1.00 0.00 H new ATOM 341 N HIS A 22 -10.036 3.810 -9.771 1.00 0.00 N ATOM 342 CA HIS A 22 -10.960 3.332 -8.748 1.00 0.00 C ATOM 343 C HIS A 22 -10.240 3.334 -7.398 1.00 0.00 C ATOM 344 O HIS A 22 -10.777 2.894 -6.380 1.00 0.00 O ATOM 345 CB HIS A 22 -11.479 1.917 -9.134 1.00 0.00 C ATOM 346 CG HIS A 22 -11.717 1.073 -7.913 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.867 1.182 -7.151 1.00 0.00 N ATOM 348 CD2 HIS A 22 -10.943 0.127 -7.293 1.00 0.00 C ATOM 349 CE1 HIS A 22 -12.750 0.324 -6.124 1.00 0.00 C ATOM 350 NE2 HIS A 22 -11.600 -0.339 -6.164 1.00 0.00 N ATOM 0 H HIS A 22 -10.338 4.654 -10.257 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.828 3.986 -8.673 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.405 2.009 -9.702 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.754 1.426 -9.783 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -13.657 1.800 -7.335 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.972 -0.204 -7.631 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.500 0.190 -5.359 1.00 0.00 H new ATOM 358 N VAL A 23 -9.012 3.840 -7.410 1.00 0.00 N ATOM 359 CA VAL A 23 -8.189 3.911 -6.205 1.00 0.00 C ATOM 360 C VAL A 23 -7.746 5.349 -5.959 1.00 0.00 C ATOM 361 O VAL A 23 -7.209 6.004 -6.849 1.00 0.00 O ATOM 362 CB VAL A 23 -6.961 3.020 -6.404 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.983 3.192 -5.245 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.400 1.555 -6.500 1.00 0.00 C ATOM 0 H VAL A 23 -8.561 4.210 -8.247 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.764 3.572 -5.343 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.460 3.312 -7.327 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.116 2.551 -5.403 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.661 4.232 -5.192 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.473 2.916 -4.311 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.524 0.921 -6.642 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.911 1.267 -5.581 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.077 1.433 -7.345 1.00 0.00 H new ATOM 374 N ASP A 24 -7.983 5.827 -4.744 1.00 0.00 N ATOM 375 CA ASP A 24 -7.612 7.194 -4.367 1.00 0.00 C ATOM 376 C ASP A 24 -7.228 7.232 -2.895 1.00 0.00 C ATOM 377 O ASP A 24 -8.075 7.061 -2.024 1.00 0.00 O ATOM 378 CB ASP A 24 -8.777 8.153 -4.619 1.00 0.00 C ATOM 379 CG ASP A 24 -10.025 7.659 -3.897 1.00 0.00 C ATOM 380 OD1 ASP A 24 -10.087 6.475 -3.607 1.00 0.00 O ATOM 381 OD2 ASP A 24 -10.902 8.469 -3.648 1.00 0.00 O ATOM 0 H ASP A 24 -8.430 5.292 -4.000 1.00 0.00 H new ATOM 0 HA ASP A 24 -6.763 7.507 -4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.517 9.153 -4.271 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.972 8.228 -5.689 1.00 0.00 H new ATOM 386 N ILE A 25 -5.943 7.425 -2.626 1.00 0.00 N ATOM 387 CA ILE A 25 -5.454 7.440 -1.247 1.00 0.00 C ATOM 388 C ILE A 25 -5.545 8.832 -0.612 1.00 0.00 C ATOM 389 O ILE A 25 -4.592 9.615 -0.633 1.00 0.00 O ATOM 390 CB ILE A 25 -4.016 6.916 -1.225 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.033 5.468 -1.735 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.467 6.948 0.204 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.605 4.928 -1.896 1.00 0.00 C ATOM 0 H ILE A 25 -5.224 7.572 -3.334 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.092 6.791 -0.647 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.381 7.539 -1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.588 4.839 -1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.554 5.421 -2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.443 6.573 0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.480 7.972 0.576 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.086 6.321 0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.643 3.901 -2.258 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.061 5.545 -2.611 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.095 4.954 -0.933 1.00 0.00 H new ATOM 405 N GLN A 26 -6.714 9.103 -0.023 1.00 0.00 N ATOM 406 CA GLN A 26 -6.975 10.371 0.663 1.00 0.00 C ATOM 407 C GLN A 26 -6.661 10.211 2.142 1.00 0.00 C ATOM 408 O GLN A 26 -6.367 11.178 2.846 1.00 0.00 O ATOM 409 CB GLN A 26 -8.445 10.771 0.494 1.00 0.00 C ATOM 410 CG GLN A 26 -8.713 11.120 -0.969 1.00 0.00 C ATOM 411 CD GLN A 26 -10.189 11.450 -1.159 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.055 10.757 -0.624 1.00 0.00 O ATOM 413 NE2 GLN A 26 -10.531 12.472 -1.894 1.00 0.00 N ATOM 0 H GLN A 26 -7.501 8.454 -0.008 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.345 11.149 0.231 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.094 9.954 0.809 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.676 11.625 1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.099 11.970 -1.268 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.433 10.284 -1.609 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.813 13.045 -2.337 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.517 12.698 -2.026 1.00 0.00 H new ATOM 422 N ASN A 27 -6.711 8.967 2.592 1.00 0.00 N ATOM 423 CA ASN A 27 -6.419 8.628 3.976 1.00 0.00 C ATOM 424 C ASN A 27 -5.669 7.313 3.992 1.00 0.00 C ATOM 425 O ASN A 27 -5.407 6.731 2.939 1.00 0.00 O ATOM 426 CB ASN A 27 -7.710 8.500 4.790 1.00 0.00 C ATOM 427 CG ASN A 27 -8.464 9.826 4.794 1.00 0.00 C ATOM 428 OD1 ASN A 27 -7.893 10.864 5.129 1.00 0.00 O ATOM 429 ND2 ASN A 27 -9.722 9.852 4.446 1.00 0.00 N ATOM 0 H ASN A 27 -6.955 8.166 2.010 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.817 9.418 4.426 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.339 7.717 4.367 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.476 8.203 5.812 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.234 10.734 4.451 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.192 8.990 4.169 1.00 0.00 H new ATOM 436 N PHE A 28 -5.309 6.846 5.176 1.00 0.00 N ATOM 437 CA PHE A 28 -4.576 5.589 5.295 1.00 0.00 C ATOM 438 C PHE A 28 -5.494 4.485 5.797 1.00 0.00 C ATOM 439 O PHE A 28 -5.133 3.309 5.791 1.00 0.00 O ATOM 440 CB PHE A 28 -3.407 5.779 6.263 1.00 0.00 C ATOM 441 CG PHE A 28 -2.296 6.530 5.565 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.355 5.828 4.803 1.00 0.00 C ATOM 443 CD2 PHE A 28 -2.212 7.923 5.672 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.329 6.519 4.150 1.00 0.00 C ATOM 445 CE2 PHE A 28 -1.184 8.614 5.017 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.243 7.910 4.256 1.00 0.00 C ATOM 0 H PHE A 28 -5.508 7.310 6.062 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.196 5.301 4.315 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.736 6.330 7.144 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.045 4.811 6.609 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.421 4.753 4.719 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.939 8.465 6.259 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.398 5.977 3.563 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.118 9.689 5.099 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.550 8.442 3.751 1.00 0.00 H new ATOM 456 N SER A 29 -6.669 4.884 6.266 1.00 0.00 N ATOM 457 CA SER A 29 -7.640 3.942 6.829 1.00 0.00 C ATOM 458 C SER A 29 -8.833 3.705 5.907 1.00 0.00 C ATOM 459 O SER A 29 -9.002 2.616 5.353 1.00 0.00 O ATOM 460 CB SER A 29 -8.148 4.501 8.155 1.00 0.00 C ATOM 461 OG SER A 29 -9.237 3.711 8.612 1.00 0.00 O ATOM 0 H SER A 29 -6.978 5.856 6.270 1.00 0.00 H new ATOM 0 HA SER A 29 -7.134 2.986 6.963 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.347 4.499 8.894 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.463 5.537 8.029 1.00 0.00 H new ATOM 0 HG SER A 29 -8.902 2.998 9.195 1.00 0.00 H new ATOM 467 N SER A 30 -9.669 4.728 5.770 1.00 0.00 N ATOM 468 CA SER A 30 -10.866 4.631 4.941 1.00 0.00 C ATOM 469 C SER A 30 -10.539 4.363 3.482 1.00 0.00 C ATOM 470 O SER A 30 -11.204 3.563 2.826 1.00 0.00 O ATOM 471 CB SER A 30 -11.671 5.923 5.047 1.00 0.00 C ATOM 472 OG SER A 30 -12.038 6.141 6.403 1.00 0.00 O ATOM 0 H SER A 30 -9.541 5.634 6.222 1.00 0.00 H new ATOM 0 HA SER A 30 -11.448 3.787 5.311 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.082 6.763 4.679 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.563 5.861 4.423 1.00 0.00 H new ATOM 0 HG SER A 30 -12.554 6.971 6.473 1.00 0.00 H new ATOM 478 N SER A 31 -9.539 5.053 2.966 1.00 0.00 N ATOM 479 CA SER A 31 -9.175 4.887 1.568 1.00 0.00 C ATOM 480 C SER A 31 -8.507 3.536 1.340 1.00 0.00 C ATOM 481 O SER A 31 -8.099 3.216 0.226 1.00 0.00 O ATOM 482 CB SER A 31 -8.224 6.015 1.146 1.00 0.00 C ATOM 483 OG SER A 31 -6.885 5.551 1.178 1.00 0.00 O ATOM 0 H SER A 31 -8.971 5.724 3.483 1.00 0.00 H new ATOM 0 HA SER A 31 -10.082 4.929 0.965 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.476 6.359 0.143 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.339 6.869 1.814 1.00 0.00 H new ATOM 0 HG SER A 31 -6.322 6.208 1.638 1.00 0.00 H new ATOM 489 N TRP A 32 -8.390 2.750 2.409 1.00 0.00 N ATOM 490 CA TRP A 32 -7.756 1.432 2.331 1.00 0.00 C ATOM 491 C TRP A 32 -8.764 0.309 2.568 1.00 0.00 C ATOM 492 O TRP A 32 -8.418 -0.870 2.491 1.00 0.00 O ATOM 493 CB TRP A 32 -6.661 1.363 3.386 1.00 0.00 C ATOM 494 CG TRP A 32 -5.529 2.225 2.969 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.595 3.564 2.835 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.172 1.838 2.641 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.359 4.027 2.426 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.445 2.998 2.304 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.511 0.602 2.603 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.100 2.933 1.945 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.160 0.533 2.237 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.457 1.696 1.913 1.00 0.00 C ATOM 0 H TRP A 32 -8.725 3.001 3.339 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.342 1.300 1.331 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.048 1.691 4.351 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.324 0.334 3.511 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.468 4.173 3.017 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.148 5.007 2.238 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.046 -0.301 2.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.560 3.834 1.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.660 -0.424 2.205 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.414 1.637 1.637 1.00 0.00 H new ATOM 513 N SER A 33 -10.002 0.674 2.879 1.00 0.00 N ATOM 514 CA SER A 33 -11.035 -0.321 3.148 1.00 0.00 C ATOM 515 C SER A 33 -11.158 -1.315 1.994 1.00 0.00 C ATOM 516 O SER A 33 -11.317 -2.516 2.220 1.00 0.00 O ATOM 517 CB SER A 33 -12.379 0.372 3.362 1.00 0.00 C ATOM 518 OG SER A 33 -13.378 -0.610 3.609 1.00 0.00 O ATOM 0 H SER A 33 -10.314 1.642 2.951 1.00 0.00 H new ATOM 0 HA SER A 33 -10.751 -0.867 4.048 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.316 1.063 4.203 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.641 0.962 2.484 1.00 0.00 H new ATOM 0 HG SER A 33 -14.242 -0.170 3.749 1.00 0.00 H new ATOM 524 N SER A 34 -11.092 -0.820 0.765 1.00 0.00 N ATOM 525 CA SER A 34 -11.207 -1.687 -0.404 1.00 0.00 C ATOM 526 C SER A 34 -10.060 -2.693 -0.478 1.00 0.00 C ATOM 527 O SER A 34 -10.188 -3.741 -1.110 1.00 0.00 O ATOM 528 CB SER A 34 -11.203 -0.834 -1.682 1.00 0.00 C ATOM 529 OG SER A 34 -11.839 0.406 -1.416 1.00 0.00 O ATOM 0 H SER A 34 -10.961 0.169 0.551 1.00 0.00 H new ATOM 0 HA SER A 34 -12.143 -2.238 -0.315 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.180 -0.667 -2.019 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.722 -1.358 -2.485 1.00 0.00 H new ATOM 0 HG SER A 34 -11.838 0.955 -2.228 1.00 0.00 H new ATOM 535 N GLY A 35 -8.930 -2.350 0.128 1.00 0.00 N ATOM 536 CA GLY A 35 -7.768 -3.223 0.072 1.00 0.00 C ATOM 537 C GLY A 35 -7.138 -3.108 -1.308 1.00 0.00 C ATOM 538 O GLY A 35 -6.040 -3.607 -1.557 1.00 0.00 O ATOM 0 H GLY A 35 -8.795 -1.487 0.656 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.048 -2.943 0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.060 -4.254 0.269 1.00 0.00 H new ATOM 542 N MET A 36 -7.859 -2.427 -2.190 1.00 0.00 N ATOM 543 CA MET A 36 -7.410 -2.213 -3.554 1.00 0.00 C ATOM 544 C MET A 36 -6.124 -1.395 -3.566 1.00 0.00 C ATOM 545 O MET A 36 -5.377 -1.409 -4.544 1.00 0.00 O ATOM 546 CB MET A 36 -8.505 -1.473 -4.329 1.00 0.00 C ATOM 547 CG MET A 36 -9.772 -2.330 -4.376 1.00 0.00 C ATOM 548 SD MET A 36 -9.657 -3.526 -5.737 1.00 0.00 S ATOM 549 CE MET A 36 -11.346 -3.348 -6.368 1.00 0.00 C ATOM 0 H MET A 36 -8.766 -2.011 -1.979 1.00 0.00 H new ATOM 0 HA MET A 36 -7.211 -3.176 -4.024 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.719 -0.517 -3.852 1.00 0.00 H new ATOM 0 HB3 MET A 36 -8.164 -1.255 -5.341 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.902 -2.854 -3.429 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.647 -1.694 -4.512 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.729 -4.325 -6.664 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.983 -2.929 -5.589 1.00 0.00 H new ATOM 0 HE3 MET A 36 -11.344 -2.683 -7.232 1.00 0.00 H new ATOM 559 N ALA A 37 -5.874 -0.674 -2.475 1.00 0.00 N ATOM 560 CA ALA A 37 -4.677 0.151 -2.379 1.00 0.00 C ATOM 561 C ALA A 37 -3.422 -0.702 -2.163 1.00 0.00 C ATOM 562 O ALA A 37 -2.413 -0.508 -2.838 1.00 0.00 O ATOM 563 CB ALA A 37 -4.824 1.160 -1.240 1.00 0.00 C ATOM 0 H ALA A 37 -6.479 -0.645 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.563 0.684 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.924 1.771 -1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.685 1.801 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.968 0.628 -0.299 1.00 0.00 H new ATOM 569 N PHE A 38 -3.478 -1.637 -1.214 1.00 0.00 N ATOM 570 CA PHE A 38 -2.320 -2.490 -0.930 1.00 0.00 C ATOM 571 C PHE A 38 -1.877 -3.245 -2.187 1.00 0.00 C ATOM 572 O PHE A 38 -0.682 -3.359 -2.458 1.00 0.00 O ATOM 573 CB PHE A 38 -2.656 -3.498 0.200 1.00 0.00 C ATOM 574 CG PHE A 38 -2.053 -3.039 1.517 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.662 -2.898 1.636 1.00 0.00 C ATOM 576 CD2 PHE A 38 -2.878 -2.758 2.610 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.104 -2.476 2.848 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.319 -2.335 3.821 1.00 0.00 C ATOM 579 CZ PHE A 38 -0.932 -2.195 3.939 1.00 0.00 C ATOM 0 H PHE A 38 -4.298 -1.823 -0.636 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.501 -1.849 -0.604 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.737 -3.593 0.301 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.272 -4.485 -0.059 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.023 -3.115 0.793 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.949 -2.868 2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.967 -2.367 2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.958 -2.117 4.664 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.500 -1.869 4.874 1.00 0.00 H new ATOM 589 N CYS A 39 -2.834 -3.777 -2.929 1.00 0.00 N ATOM 590 CA CYS A 39 -2.509 -4.529 -4.137 1.00 0.00 C ATOM 591 C CYS A 39 -2.021 -3.599 -5.248 1.00 0.00 C ATOM 592 O CYS A 39 -1.039 -3.890 -5.932 1.00 0.00 O ATOM 593 CB CYS A 39 -3.745 -5.301 -4.615 1.00 0.00 C ATOM 594 SG CYS A 39 -3.834 -6.891 -3.757 1.00 0.00 S ATOM 0 H CYS A 39 -3.830 -3.706 -2.723 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.708 -5.229 -3.899 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.647 -4.720 -4.421 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.694 -5.460 -5.692 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.436 -6.735 -2.615 1.00 0.00 H new ATOM 600 N ALA A 40 -2.741 -2.498 -5.436 1.00 0.00 N ATOM 601 CA ALA A 40 -2.423 -1.534 -6.483 1.00 0.00 C ATOM 602 C ALA A 40 -1.030 -0.929 -6.312 1.00 0.00 C ATOM 603 O ALA A 40 -0.302 -0.747 -7.286 1.00 0.00 O ATOM 604 CB ALA A 40 -3.460 -0.414 -6.449 1.00 0.00 C ATOM 0 H ALA A 40 -3.554 -2.250 -4.872 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.439 -2.059 -7.438 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.234 0.315 -7.227 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.452 -0.832 -6.620 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.435 0.076 -5.475 1.00 0.00 H new ATOM 610 N LEU A 41 -0.675 -0.604 -5.077 1.00 0.00 N ATOM 611 CA LEU A 41 0.624 0.000 -4.794 1.00 0.00 C ATOM 612 C LEU A 41 1.762 -0.971 -5.122 1.00 0.00 C ATOM 613 O LEU A 41 2.761 -0.591 -5.735 1.00 0.00 O ATOM 614 CB LEU A 41 0.659 0.403 -3.314 1.00 0.00 C ATOM 615 CG LEU A 41 1.984 1.085 -2.953 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.127 2.416 -3.712 1.00 0.00 C ATOM 617 CD2 LEU A 41 1.994 1.353 -1.444 1.00 0.00 C ATOM 0 H LEU A 41 -1.264 -0.747 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 41 0.763 0.882 -5.419 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.170 1.077 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.521 -0.481 -2.691 1.00 0.00 H new ATOM 0 HG LEU A 41 2.816 0.438 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.073 2.888 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.106 2.227 -4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.303 3.078 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.930 1.838 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.158 2.002 -1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.902 0.409 -0.906 1.00 0.00 H new ATOM 629 N ILE A 42 1.594 -2.227 -4.718 1.00 0.00 N ATOM 630 CA ILE A 42 2.597 -3.262 -4.974 1.00 0.00 C ATOM 631 C ILE A 42 2.745 -3.549 -6.472 1.00 0.00 C ATOM 632 O ILE A 42 3.854 -3.691 -6.980 1.00 0.00 O ATOM 633 CB ILE A 42 2.186 -4.547 -4.227 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.349 -4.345 -2.708 1.00 0.00 C ATOM 635 CG2 ILE A 42 3.018 -5.753 -4.683 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.824 -4.067 -2.332 1.00 0.00 C ATOM 0 H ILE A 42 0.772 -2.555 -4.211 1.00 0.00 H new ATOM 0 HA ILE A 42 3.563 -2.908 -4.614 1.00 0.00 H new ATOM 0 HB ILE A 42 1.141 -4.751 -4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.725 -3.513 -2.381 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.998 -5.233 -2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.702 -6.641 -4.136 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.871 -5.913 -5.751 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.073 -5.562 -4.486 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.905 -3.929 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.443 -4.911 -2.637 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.165 -3.165 -2.840 1.00 0.00 H new ATOM 648 N HIS A 43 1.619 -3.655 -7.165 1.00 0.00 N ATOM 649 CA HIS A 43 1.627 -3.951 -8.597 1.00 0.00 C ATOM 650 C HIS A 43 2.385 -2.883 -9.385 1.00 0.00 C ATOM 651 O HIS A 43 2.635 -3.034 -10.581 1.00 0.00 O ATOM 652 CB HIS A 43 0.183 -4.040 -9.094 1.00 0.00 C ATOM 653 CG HIS A 43 0.159 -4.351 -10.567 1.00 0.00 C ATOM 654 ND1 HIS A 43 -0.296 -3.445 -11.509 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.520 -5.472 -11.272 1.00 0.00 C ATOM 656 CE1 HIS A 43 -0.202 -4.029 -12.717 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.291 -5.268 -12.629 1.00 0.00 N ATOM 0 H HIS A 43 0.689 -3.541 -6.763 1.00 0.00 H new ATOM 0 HA HIS A 43 2.138 -4.901 -8.753 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.352 -4.813 -8.543 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.333 -3.099 -8.905 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.921 -6.376 -10.839 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.490 -3.555 -13.644 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.462 -5.923 -13.392 1.00 0.00 H new ATOM 665 N LYS A 44 2.741 -1.806 -8.699 1.00 0.00 N ATOM 666 CA LYS A 44 3.466 -0.705 -9.330 1.00 0.00 C ATOM 667 C LYS A 44 4.939 -1.069 -9.554 1.00 0.00 C ATOM 668 O LYS A 44 5.537 -0.734 -10.576 1.00 0.00 O ATOM 669 CB LYS A 44 3.390 0.547 -8.430 1.00 0.00 C ATOM 670 CG LYS A 44 3.469 1.831 -9.273 1.00 0.00 C ATOM 671 CD LYS A 44 4.693 1.797 -10.188 1.00 0.00 C ATOM 672 CE LYS A 44 4.982 3.194 -10.716 1.00 0.00 C ATOM 673 NZ LYS A 44 6.098 3.129 -11.700 1.00 0.00 N ATOM 0 H LYS A 44 2.542 -1.668 -7.708 1.00 0.00 H new ATOM 0 HA LYS A 44 3.004 -0.505 -10.297 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.460 0.536 -7.862 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.205 0.531 -7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.564 1.937 -9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.522 2.700 -8.618 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.557 1.419 -9.641 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.518 1.113 -11.019 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.091 3.608 -11.187 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.246 3.858 -9.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.297 4.083 -12.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.948 2.750 -11.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.829 2.508 -12.490 1.00 0.00 H new ATOM 687 N PHE A 45 5.534 -1.728 -8.570 1.00 0.00 N ATOM 688 CA PHE A 45 6.953 -2.081 -8.643 1.00 0.00 C ATOM 689 C PHE A 45 7.157 -3.537 -9.061 1.00 0.00 C ATOM 690 O PHE A 45 8.266 -3.935 -9.410 1.00 0.00 O ATOM 691 CB PHE A 45 7.588 -1.853 -7.261 1.00 0.00 C ATOM 692 CG PHE A 45 6.907 -0.688 -6.560 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.873 0.583 -7.159 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.310 -0.882 -5.306 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.242 1.651 -6.499 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.685 0.184 -4.653 1.00 0.00 C ATOM 697 CZ PHE A 45 5.650 1.449 -5.248 1.00 0.00 C ATOM 0 H PHE A 45 5.065 -2.029 -7.716 1.00 0.00 H new ATOM 0 HA PHE A 45 7.425 -1.452 -9.397 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.496 -2.755 -6.656 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.653 -1.650 -7.370 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.331 0.738 -8.125 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.333 -1.858 -4.844 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.214 2.628 -6.958 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.228 0.030 -3.687 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.166 2.271 -4.741 1.00 0.00 H new ATOM 707 N PHE A 46 6.096 -4.328 -8.993 1.00 0.00 N ATOM 708 CA PHE A 46 6.176 -5.750 -9.335 1.00 0.00 C ATOM 709 C PHE A 46 5.163 -6.118 -10.431 1.00 0.00 C ATOM 710 O PHE A 46 3.998 -6.345 -10.130 1.00 0.00 O ATOM 711 CB PHE A 46 5.896 -6.541 -8.064 1.00 0.00 C ATOM 712 CG PHE A 46 6.943 -6.175 -7.040 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.192 -6.798 -7.068 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.667 -5.204 -6.071 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.162 -6.458 -6.125 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.638 -4.860 -5.128 1.00 0.00 C ATOM 717 CZ PHE A 46 8.885 -5.488 -5.153 1.00 0.00 C ATOM 0 H PHE A 46 5.169 -4.015 -8.705 1.00 0.00 H new ATOM 0 HA PHE A 46 7.166 -5.984 -9.727 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.899 -6.313 -7.686 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.922 -7.611 -8.269 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.407 -7.543 -7.820 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.702 -4.720 -6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.127 -6.943 -6.144 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.425 -4.110 -4.381 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.636 -5.226 -4.423 1.00 0.00 H new ATOM 727 N PRO A 47 5.563 -6.183 -11.694 1.00 0.00 N ATOM 728 CA PRO A 47 4.621 -6.535 -12.802 1.00 0.00 C ATOM 729 C PRO A 47 4.303 -8.031 -12.824 1.00 0.00 C ATOM 730 O PRO A 47 3.159 -8.432 -13.045 1.00 0.00 O ATOM 731 CB PRO A 47 5.362 -6.115 -14.098 1.00 0.00 C ATOM 732 CG PRO A 47 6.690 -5.546 -13.672 1.00 0.00 C ATOM 733 CD PRO A 47 6.918 -5.943 -12.209 1.00 0.00 C ATOM 0 HA PRO A 47 3.661 -6.031 -12.685 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.502 -6.971 -14.759 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.784 -5.375 -14.652 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.491 -5.931 -14.302 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.694 -4.461 -13.779 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.540 -6.835 -12.129 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.422 -5.152 -11.654 1.00 0.00 H new ATOM 741 N GLU A 48 5.325 -8.842 -12.588 1.00 0.00 N ATOM 742 CA GLU A 48 5.156 -10.285 -12.574 1.00 0.00 C ATOM 743 C GLU A 48 4.261 -10.661 -11.402 1.00 0.00 C ATOM 744 O GLU A 48 3.928 -11.828 -11.193 1.00 0.00 O ATOM 745 CB GLU A 48 6.522 -10.973 -12.451 1.00 0.00 C ATOM 746 CG GLU A 48 7.337 -10.728 -13.727 1.00 0.00 C ATOM 747 CD GLU A 48 8.735 -11.324 -13.585 1.00 0.00 C ATOM 748 OE1 GLU A 48 9.007 -11.906 -12.549 1.00 0.00 O ATOM 749 OE2 GLU A 48 9.513 -11.188 -14.516 1.00 0.00 O ATOM 0 H GLU A 48 6.277 -8.525 -12.404 1.00 0.00 H new ATOM 0 HA GLU A 48 4.693 -10.614 -13.504 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.059 -10.586 -11.585 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.389 -12.043 -12.292 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.829 -11.174 -14.582 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.408 -9.658 -13.921 1.00 0.00 H new ATOM 756 N ALA A 49 3.890 -9.636 -10.641 1.00 0.00 N ATOM 757 CA ALA A 49 3.039 -9.807 -9.464 1.00 0.00 C ATOM 758 C ALA A 49 1.711 -10.444 -9.811 1.00 0.00 C ATOM 759 O ALA A 49 1.497 -11.638 -9.605 1.00 0.00 O ATOM 760 CB ALA A 49 2.751 -8.440 -8.845 1.00 0.00 C ATOM 0 H ALA A 49 4.167 -8.671 -10.819 1.00 0.00 H new ATOM 0 HA ALA A 49 3.572 -10.458 -8.771 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.117 -8.564 -7.967 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.689 -7.969 -8.551 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.242 -7.810 -9.574 1.00 0.00 H new ATOM 766 N PHE A 50 0.821 -9.629 -10.356 1.00 0.00 N ATOM 767 CA PHE A 50 -0.493 -10.081 -10.752 1.00 0.00 C ATOM 768 C PHE A 50 -1.171 -9.006 -11.591 1.00 0.00 C ATOM 769 O PHE A 50 -0.775 -7.840 -11.564 1.00 0.00 O ATOM 770 CB PHE A 50 -1.343 -10.385 -9.515 1.00 0.00 C ATOM 771 CG PHE A 50 -1.185 -9.275 -8.496 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.833 -8.048 -8.687 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.396 -9.479 -7.354 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.687 -7.024 -7.739 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.253 -8.456 -6.409 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.897 -7.228 -6.601 1.00 0.00 C ATOM 0 H PHE A 50 0.994 -8.640 -10.534 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.392 -10.992 -11.342 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.391 -10.484 -9.798 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.039 -11.337 -9.079 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.444 -7.890 -9.563 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.101 -10.426 -7.204 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.185 -6.077 -7.887 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.355 -8.614 -5.531 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.785 -6.439 -5.872 1.00 0.00 H new ATOM 786 N ASP A 51 -2.212 -9.402 -12.311 1.00 0.00 N ATOM 787 CA ASP A 51 -2.957 -8.457 -13.131 1.00 0.00 C ATOM 788 C ASP A 51 -4.000 -7.754 -12.262 1.00 0.00 C ATOM 789 O ASP A 51 -5.083 -8.283 -12.028 1.00 0.00 O ATOM 790 CB ASP A 51 -3.645 -9.197 -14.282 1.00 0.00 C ATOM 791 CG ASP A 51 -4.509 -8.231 -15.099 1.00 0.00 C ATOM 792 OD1 ASP A 51 -5.229 -7.447 -14.503 1.00 0.00 O ATOM 793 OD2 ASP A 51 -4.428 -8.285 -16.313 1.00 0.00 O ATOM 0 H ASP A 51 -2.557 -10.361 -12.344 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.275 -7.717 -13.549 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.896 -9.658 -14.926 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.264 -10.002 -13.886 1.00 0.00 H new ATOM 798 N TYR A 52 -3.652 -6.567 -11.775 1.00 0.00 N ATOM 799 CA TYR A 52 -4.549 -5.800 -10.921 1.00 0.00 C ATOM 800 C TYR A 52 -5.793 -5.376 -11.675 1.00 0.00 C ATOM 801 O TYR A 52 -6.816 -5.051 -11.073 1.00 0.00 O ATOM 802 CB TYR A 52 -3.829 -4.551 -10.415 1.00 0.00 C ATOM 803 CG TYR A 52 -4.798 -3.659 -9.662 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.650 -2.800 -10.369 1.00 0.00 C ATOM 805 CD2 TYR A 52 -4.853 -3.699 -8.263 1.00 0.00 C ATOM 806 CE1 TYR A 52 -6.553 -1.981 -9.678 1.00 0.00 C ATOM 807 CE2 TYR A 52 -5.755 -2.882 -7.574 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.605 -2.022 -8.280 1.00 0.00 C ATOM 809 OH TYR A 52 -7.493 -1.218 -7.599 1.00 0.00 O ATOM 0 H TYR A 52 -2.755 -6.116 -11.958 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.844 -6.434 -10.085 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.004 -4.837 -9.763 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.398 -4.005 -11.254 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.611 -2.769 -11.448 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.198 -4.361 -7.716 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.208 -1.319 -10.224 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.796 -2.914 -6.495 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.342 -1.694 -7.482 1.00 0.00 H new ATOM 819 N ALA A 53 -5.699 -5.377 -12.988 1.00 0.00 N ATOM 820 CA ALA A 53 -6.825 -4.985 -13.821 1.00 0.00 C ATOM 821 C ALA A 53 -7.833 -6.118 -13.925 1.00 0.00 C ATOM 822 O ALA A 53 -8.929 -5.941 -14.453 1.00 0.00 O ATOM 823 CB ALA A 53 -6.325 -4.604 -15.213 1.00 0.00 C ATOM 0 H ALA A 53 -4.860 -5.643 -13.503 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.317 -4.126 -13.364 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.170 -4.311 -15.836 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.627 -3.771 -15.133 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.821 -5.458 -15.665 1.00 0.00 H new ATOM 829 N GLU A 54 -7.448 -7.293 -13.439 1.00 0.00 N ATOM 830 CA GLU A 54 -8.316 -8.468 -13.491 1.00 0.00 C ATOM 831 C GLU A 54 -9.047 -8.648 -12.171 1.00 0.00 C ATOM 832 O GLU A 54 -9.977 -9.452 -12.076 1.00 0.00 O ATOM 833 CB GLU A 54 -7.449 -9.715 -13.762 1.00 0.00 C ATOM 834 CG GLU A 54 -7.825 -10.346 -15.103 1.00 0.00 C ATOM 835 CD GLU A 54 -9.237 -10.915 -15.029 1.00 0.00 C ATOM 836 OE1 GLU A 54 -9.644 -11.300 -13.944 1.00 0.00 O ATOM 837 OE2 GLU A 54 -9.894 -10.954 -16.056 1.00 0.00 O ATOM 0 H GLU A 54 -6.540 -7.459 -13.004 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.051 -8.334 -14.285 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.395 -9.438 -13.766 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.585 -10.441 -12.961 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.765 -9.600 -15.896 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -7.118 -11.136 -15.354 1.00 0.00 H new ATOM 844 N LEU A 55 -8.611 -7.922 -11.152 1.00 0.00 N ATOM 845 CA LEU A 55 -9.221 -8.034 -9.839 1.00 0.00 C ATOM 846 C LEU A 55 -10.657 -7.524 -9.853 1.00 0.00 C ATOM 847 O LEU A 55 -11.187 -7.151 -10.901 1.00 0.00 O ATOM 848 CB LEU A 55 -8.382 -7.231 -8.842 1.00 0.00 C ATOM 849 CG LEU A 55 -7.000 -7.895 -8.686 1.00 0.00 C ATOM 850 CD1 LEU A 55 -6.083 -6.990 -7.851 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.140 -9.272 -7.999 1.00 0.00 C ATOM 0 H LEU A 55 -7.842 -7.254 -11.210 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.250 -9.083 -9.545 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.267 -6.204 -9.190 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.887 -7.186 -7.877 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.565 -8.039 -9.675 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.107 -7.462 -7.742 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.967 -6.028 -8.351 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.523 -6.836 -6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.156 -9.729 -7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.585 -9.143 -7.013 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.778 -9.917 -8.603 1.00 0.00 H new ATOM 863 N ASP A 56 -11.282 -7.522 -8.674 1.00 0.00 N ATOM 864 CA ASP A 56 -12.659 -7.068 -8.542 1.00 0.00 C ATOM 865 C ASP A 56 -12.946 -6.671 -7.084 1.00 0.00 C ATOM 866 O ASP A 56 -12.127 -6.921 -6.202 1.00 0.00 O ATOM 867 CB ASP A 56 -13.603 -8.217 -8.982 1.00 0.00 C ATOM 868 CG ASP A 56 -14.270 -7.900 -10.319 1.00 0.00 C ATOM 869 OD1 ASP A 56 -13.556 -7.565 -11.250 1.00 0.00 O ATOM 870 OD2 ASP A 56 -15.484 -7.993 -10.388 1.00 0.00 O ATOM 0 H ASP A 56 -10.854 -7.830 -7.801 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.824 -6.194 -9.173 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.037 -9.145 -9.065 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.366 -8.377 -8.220 1.00 0.00 H new ATOM 875 N PRO A 57 -14.097 -6.083 -6.808 1.00 0.00 N ATOM 876 CA PRO A 57 -14.469 -5.683 -5.422 1.00 0.00 C ATOM 877 C PRO A 57 -14.873 -6.908 -4.608 1.00 0.00 C ATOM 878 O PRO A 57 -14.932 -6.871 -3.378 1.00 0.00 O ATOM 879 CB PRO A 57 -15.658 -4.706 -5.594 1.00 0.00 C ATOM 880 CG PRO A 57 -15.926 -4.609 -7.076 1.00 0.00 C ATOM 881 CD PRO A 57 -15.169 -5.753 -7.758 1.00 0.00 C ATOM 0 HA PRO A 57 -13.642 -5.218 -4.886 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -16.538 -5.070 -5.064 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -15.418 -3.727 -5.179 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -16.995 -4.683 -7.278 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -15.594 -3.646 -7.463 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.819 -6.609 -7.941 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -14.767 -5.446 -8.724 1.00 0.00 H new ATOM 889 N ALA A 58 -15.164 -7.986 -5.325 1.00 0.00 N ATOM 890 CA ALA A 58 -15.576 -9.234 -4.702 1.00 0.00 C ATOM 891 C ALA A 58 -14.354 -10.042 -4.297 1.00 0.00 C ATOM 892 O ALA A 58 -14.468 -11.117 -3.705 1.00 0.00 O ATOM 893 CB ALA A 58 -16.417 -10.042 -5.693 1.00 0.00 C ATOM 0 H ALA A 58 -15.121 -8.019 -6.344 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.167 -9.013 -3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.727 -10.978 -5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.299 -9.467 -5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.825 -10.257 -6.582 1.00 0.00 H new ATOM 899 N LYS A 59 -13.181 -9.520 -4.646 1.00 0.00 N ATOM 900 CA LYS A 59 -11.912 -10.188 -4.350 1.00 0.00 C ATOM 901 C LYS A 59 -11.143 -9.445 -3.257 1.00 0.00 C ATOM 902 O LYS A 59 -9.918 -9.361 -3.304 1.00 0.00 O ATOM 903 CB LYS A 59 -11.066 -10.230 -5.629 1.00 0.00 C ATOM 904 CG LYS A 59 -11.869 -10.870 -6.772 1.00 0.00 C ATOM 905 CD LYS A 59 -12.125 -12.354 -6.481 1.00 0.00 C ATOM 906 CE LYS A 59 -12.569 -13.060 -7.765 1.00 0.00 C ATOM 907 NZ LYS A 59 -13.889 -12.516 -8.193 1.00 0.00 N ATOM 0 H LYS A 59 -13.081 -8.632 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.119 -11.198 -3.996 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.763 -9.221 -5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.153 -10.799 -5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.818 -10.348 -6.895 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.324 -10.766 -7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.220 -12.820 -6.092 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.892 -12.457 -5.713 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -11.829 -12.910 -8.551 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.642 -14.134 -7.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.274 -13.103 -8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -14.546 -12.526 -7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.769 -11.540 -8.530 1.00 0.00 H new ATOM 921 N ARG A 60 -11.866 -8.901 -2.279 1.00 0.00 N ATOM 922 CA ARG A 60 -11.227 -8.155 -1.194 1.00 0.00 C ATOM 923 C ARG A 60 -10.328 -9.051 -0.333 1.00 0.00 C ATOM 924 O ARG A 60 -9.147 -8.764 -0.152 1.00 0.00 O ATOM 925 CB ARG A 60 -12.302 -7.507 -0.315 1.00 0.00 C ATOM 926 CG ARG A 60 -11.640 -6.569 0.695 1.00 0.00 C ATOM 927 CD ARG A 60 -12.694 -6.023 1.658 1.00 0.00 C ATOM 928 NE ARG A 60 -13.645 -5.187 0.938 1.00 0.00 N ATOM 929 CZ ARG A 60 -14.719 -4.691 1.543 1.00 0.00 C ATOM 930 NH1 ARG A 60 -14.589 -4.002 2.645 1.00 0.00 N ATOM 931 NH2 ARG A 60 -15.903 -4.891 1.035 1.00 0.00 N ATOM 0 H ARG A 60 -12.882 -8.961 -2.214 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.596 -7.388 -1.644 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -13.007 -6.952 -0.934 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.872 -8.276 0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.868 -7.102 1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -11.148 -5.747 0.175 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.217 -6.848 2.143 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.213 -5.444 2.446 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.484 -4.979 -0.047 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.663 -3.844 3.042 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.414 -3.622 3.109 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.004 -5.428 0.174 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -16.728 -4.511 1.499 1.00 0.00 H new ATOM 945 N ARG A 61 -10.892 -10.116 0.224 1.00 0.00 N ATOM 946 CA ARG A 61 -10.113 -11.005 1.087 1.00 0.00 C ATOM 947 C ARG A 61 -8.835 -11.432 0.383 1.00 0.00 C ATOM 948 O ARG A 61 -7.746 -11.417 0.961 1.00 0.00 O ATOM 949 CB ARG A 61 -10.927 -12.254 1.402 1.00 0.00 C ATOM 950 CG ARG A 61 -12.140 -11.882 2.250 1.00 0.00 C ATOM 951 CD ARG A 61 -13.022 -13.115 2.443 1.00 0.00 C ATOM 952 NE ARG A 61 -13.690 -13.459 1.188 1.00 0.00 N ATOM 953 CZ ARG A 61 -13.910 -14.726 0.843 1.00 0.00 C ATOM 954 NH1 ARG A 61 -14.692 -15.472 1.573 1.00 0.00 N ATOM 955 NH2 ARG A 61 -13.339 -15.222 -0.220 1.00 0.00 N ATOM 0 H ARG A 61 -11.868 -10.385 0.099 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.868 -10.470 2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.251 -12.730 0.477 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.309 -12.977 1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.817 -11.497 3.217 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.707 -11.088 1.764 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.416 -13.955 2.783 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.764 -12.923 3.218 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.994 -12.712 0.564 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -15.134 -15.085 2.407 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -14.862 -16.443 1.310 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.724 -14.639 -0.787 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.508 -16.193 -0.484 1.00 0.00 H new ATOM 969 N HIS A 62 -8.987 -11.811 -0.873 1.00 0.00 N ATOM 970 CA HIS A 62 -7.863 -12.245 -1.679 1.00 0.00 C ATOM 971 C HIS A 62 -6.897 -11.092 -1.938 1.00 0.00 C ATOM 972 O HIS A 62 -5.690 -11.292 -2.010 1.00 0.00 O ATOM 973 CB HIS A 62 -8.385 -12.787 -3.010 1.00 0.00 C ATOM 974 CG HIS A 62 -9.012 -14.141 -2.801 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.263 -15.309 -2.798 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.312 -14.530 -2.589 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.111 -16.334 -2.594 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.371 -15.915 -2.458 1.00 0.00 N ATOM 0 H HIS A 62 -9.884 -11.826 -1.358 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.324 -13.024 -1.140 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.118 -12.098 -3.431 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.568 -12.862 -3.728 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.160 -13.863 -2.532 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -8.809 -17.370 -2.546 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.199 -16.487 -2.293 1.00 0.00 H new ATOM 986 N ASN A 63 -7.443 -9.891 -2.079 1.00 0.00 N ATOM 987 CA ASN A 63 -6.629 -8.705 -2.341 1.00 0.00 C ATOM 988 C ASN A 63 -5.652 -8.461 -1.208 1.00 0.00 C ATOM 989 O ASN A 63 -4.481 -8.153 -1.437 1.00 0.00 O ATOM 990 CB ASN A 63 -7.538 -7.484 -2.483 1.00 0.00 C ATOM 991 CG ASN A 63 -6.750 -6.260 -2.941 1.00 0.00 C ATOM 992 OD1 ASN A 63 -5.808 -5.835 -2.273 1.00 0.00 O ATOM 993 ND2 ASN A 63 -7.099 -5.653 -4.044 1.00 0.00 N ATOM 0 H ASN A 63 -8.445 -9.710 -2.017 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.069 -8.869 -3.262 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.331 -7.699 -3.200 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -8.020 -7.273 -1.528 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.590 -4.825 -4.353 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.880 -6.007 -4.596 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.130 -8.613 0.014 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.265 -8.411 1.164 1.00 0.00 C ATOM 1002 C PHE A 64 -4.225 -9.526 1.233 1.00 0.00 C ATOM 1003 O PHE A 64 -3.025 -9.260 1.287 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.090 -8.364 2.456 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.784 -7.016 2.580 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.026 -5.843 2.708 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.183 -6.937 2.570 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.663 -4.604 2.824 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.816 -5.693 2.691 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.055 -4.529 2.816 1.00 0.00 C ATOM 0 H PHE A 64 -7.092 -8.870 0.235 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.751 -7.456 1.054 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.830 -9.165 2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.443 -8.530 3.317 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.947 -5.897 2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.774 -7.836 2.469 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.075 -3.703 2.920 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.894 -5.634 2.688 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.545 -3.571 2.906 1.00 0.00 H new ATOM 1020 N THR A 65 -4.691 -10.771 1.217 1.00 0.00 N ATOM 1021 CA THR A 65 -3.773 -11.903 1.271 1.00 0.00 C ATOM 1022 C THR A 65 -2.772 -11.807 0.130 1.00 0.00 C ATOM 1023 O THR A 65 -1.579 -12.059 0.306 1.00 0.00 O ATOM 1024 CB THR A 65 -4.532 -13.228 1.152 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.638 -13.228 2.043 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.590 -14.386 1.497 1.00 0.00 C ATOM 0 H THR A 65 -5.679 -11.019 1.168 1.00 0.00 H new ATOM 0 HA THR A 65 -3.255 -11.874 2.230 1.00 0.00 H new ATOM 0 HB THR A 65 -4.896 -13.348 0.132 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.395 -12.766 1.625 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.128 -15.330 1.413 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.746 -14.387 0.807 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.225 -14.266 2.517 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.277 -11.453 -1.044 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.441 -11.334 -2.227 1.00 0.00 C ATOM 1036 C LEU A 66 -1.357 -10.288 -2.030 1.00 0.00 C ATOM 1037 O LEU A 66 -0.183 -10.540 -2.295 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.330 -10.929 -3.405 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.513 -10.743 -4.690 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.977 -12.094 -5.179 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.432 -10.144 -5.753 1.00 0.00 C ATOM 0 H LEU A 66 -4.263 -11.243 -1.201 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.955 -12.291 -2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.093 -11.691 -3.565 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.851 -10.002 -3.167 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.666 -10.084 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.399 -11.947 -6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.339 -12.531 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.812 -12.765 -5.382 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.874 -10.002 -6.678 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.268 -10.820 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.811 -9.183 -5.406 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.750 -9.102 -1.589 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.784 -8.041 -1.397 1.00 0.00 C ATOM 1055 C ALA A 67 0.299 -8.494 -0.441 1.00 0.00 C ATOM 1056 O ALA A 67 1.470 -8.155 -0.604 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.466 -6.802 -0.833 1.00 0.00 C ATOM 0 H ALA A 67 -2.714 -8.857 -1.362 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.340 -7.798 -2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.728 -6.012 -0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.235 -6.462 -1.527 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.924 -7.044 0.126 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.097 -9.275 0.554 1.00 0.00 N ATOM 1064 CA PHE A 68 0.852 -9.778 1.532 1.00 0.00 C ATOM 1065 C PHE A 68 1.586 -11.007 1.001 1.00 0.00 C ATOM 1066 O PHE A 68 2.814 -11.069 1.052 1.00 0.00 O ATOM 1067 CB PHE A 68 0.123 -10.104 2.843 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.493 -8.843 3.433 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.310 -7.727 3.725 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.872 -8.787 3.695 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.259 -6.572 4.269 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.438 -7.626 4.241 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.631 -6.518 4.527 1.00 0.00 C ATOM 0 H PHE A 68 -1.062 -9.571 0.703 1.00 0.00 H new ATOM 0 HA PHE A 68 1.597 -9.006 1.724 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.655 -10.845 2.660 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.821 -10.544 3.556 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.371 -7.762 3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.497 -9.640 3.476 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.364 -5.718 4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.499 -7.586 4.441 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.068 -5.624 4.946 1.00 0.00 H new ATOM 1083 N SER A 69 0.844 -11.981 0.487 1.00 0.00 N ATOM 1084 CA SER A 69 1.464 -13.190 -0.048 1.00 0.00 C ATOM 1085 C SER A 69 2.386 -12.855 -1.218 1.00 0.00 C ATOM 1086 O SER A 69 3.418 -13.504 -1.411 1.00 0.00 O ATOM 1087 CB SER A 69 0.396 -14.185 -0.503 1.00 0.00 C ATOM 1088 OG SER A 69 -0.237 -14.750 0.638 1.00 0.00 O ATOM 0 H SER A 69 -0.174 -11.960 0.429 1.00 0.00 H new ATOM 0 HA SER A 69 2.056 -13.642 0.748 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.341 -13.684 -1.131 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.849 -14.970 -1.108 1.00 0.00 H new ATOM 0 HG SER A 69 -0.807 -15.497 0.360 1.00 0.00 H new ATOM 1094 N THR A 70 2.031 -11.824 -1.981 1.00 0.00 N ATOM 1095 CA THR A 70 2.867 -11.408 -3.101 1.00 0.00 C ATOM 1096 C THR A 70 4.067 -10.613 -2.598 1.00 0.00 C ATOM 1097 O THR A 70 5.202 -10.864 -3.000 1.00 0.00 O ATOM 1098 CB THR A 70 2.069 -10.570 -4.099 1.00 0.00 C ATOM 1099 OG1 THR A 70 0.857 -11.235 -4.411 1.00 0.00 O ATOM 1100 CG2 THR A 70 2.897 -10.391 -5.371 1.00 0.00 C ATOM 0 H THR A 70 1.185 -11.270 -1.847 1.00 0.00 H new ATOM 0 HA THR A 70 3.220 -12.305 -3.610 1.00 0.00 H new ATOM 0 HB THR A 70 1.843 -9.595 -3.667 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.247 -11.179 -3.646 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.336 -9.794 -6.090 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.831 -9.884 -5.129 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.116 -11.367 -5.803 1.00 0.00 H new ATOM 1108 N ALA A 71 3.804 -9.650 -1.719 1.00 0.00 N ATOM 1109 CA ALA A 71 4.870 -8.822 -1.172 1.00 0.00 C ATOM 1110 C ALA A 71 5.859 -9.668 -0.379 1.00 0.00 C ATOM 1111 O ALA A 71 7.058 -9.389 -0.377 1.00 0.00 O ATOM 1112 CB ALA A 71 4.288 -7.736 -0.265 1.00 0.00 C ATOM 0 H ALA A 71 2.871 -9.426 -1.374 1.00 0.00 H new ATOM 0 HA ALA A 71 5.394 -8.354 -2.006 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.097 -7.125 0.136 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.609 -7.107 -0.840 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.743 -8.201 0.556 1.00 0.00 H new ATOM 1118 N GLU A 72 5.358 -10.699 0.296 1.00 0.00 N ATOM 1119 CA GLU A 72 6.230 -11.561 1.085 1.00 0.00 C ATOM 1120 C GLU A 72 7.094 -12.431 0.174 1.00 0.00 C ATOM 1121 O GLU A 72 8.305 -12.516 0.344 1.00 0.00 O ATOM 1122 CB GLU A 72 5.395 -12.454 2.009 1.00 0.00 C ATOM 1123 CG GLU A 72 6.311 -13.161 3.016 1.00 0.00 C ATOM 1124 CD GLU A 72 6.833 -12.159 4.041 1.00 0.00 C ATOM 1125 OE1 GLU A 72 6.398 -11.020 4.002 1.00 0.00 O ATOM 1126 OE2 GLU A 72 7.658 -12.547 4.851 1.00 0.00 O ATOM 0 H GLU A 72 4.371 -10.954 0.313 1.00 0.00 H new ATOM 0 HA GLU A 72 6.881 -10.928 1.688 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.654 -11.854 2.537 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.848 -13.191 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 72 5.764 -13.958 3.520 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.146 -13.628 2.494 1.00 0.00 H new ATOM 1133 N LYS A 73 6.478 -13.091 -0.795 1.00 0.00 N ATOM 1134 CA LYS A 73 7.243 -13.954 -1.683 1.00 0.00 C ATOM 1135 C LYS A 73 8.327 -13.158 -2.411 1.00 0.00 C ATOM 1136 O LYS A 73 9.448 -13.640 -2.586 1.00 0.00 O ATOM 1137 CB LYS A 73 6.302 -14.613 -2.702 1.00 0.00 C ATOM 1138 CG LYS A 73 7.064 -15.659 -3.536 1.00 0.00 C ATOM 1139 CD LYS A 73 6.088 -16.402 -4.471 1.00 0.00 C ATOM 1140 CE LYS A 73 5.539 -15.439 -5.533 1.00 0.00 C ATOM 1141 NZ LYS A 73 4.360 -14.720 -4.976 1.00 0.00 N ATOM 0 H LYS A 73 5.477 -13.049 -0.984 1.00 0.00 H new ATOM 0 HA LYS A 73 7.728 -14.726 -1.085 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.469 -15.088 -2.184 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.877 -13.854 -3.359 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.842 -15.171 -4.123 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.561 -16.370 -2.876 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.598 -17.236 -4.954 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.267 -16.823 -3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.309 -14.726 -5.828 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.254 -15.990 -6.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.535 -14.880 -5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.156 -15.075 -4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.564 -13.701 -4.930 1.00 0.00 H new ATOM 1155 N LEU A 74 7.982 -11.950 -2.850 1.00 0.00 N ATOM 1156 CA LEU A 74 8.923 -11.109 -3.580 1.00 0.00 C ATOM 1157 C LEU A 74 9.948 -10.423 -2.674 1.00 0.00 C ATOM 1158 O LEU A 74 11.139 -10.438 -2.979 1.00 0.00 O ATOM 1159 CB LEU A 74 8.149 -10.043 -4.360 1.00 0.00 C ATOM 1160 CG LEU A 74 7.297 -10.699 -5.466 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.386 -9.641 -6.106 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.207 -11.318 -6.549 1.00 0.00 C ATOM 0 H LEU A 74 7.061 -11.534 -2.713 1.00 0.00 H new ATOM 0 HA LEU A 74 9.478 -11.763 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.506 -9.482 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.845 -9.330 -4.803 1.00 0.00 H new ATOM 0 HG LEU A 74 6.690 -11.488 -5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.784 -10.104 -6.888 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.730 -9.218 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.997 -8.849 -6.540 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.591 -11.777 -7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.826 -10.539 -6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.847 -12.076 -6.097 1.00 0.00 H new ATOM 1174 N ALA A 75 9.498 -9.790 -1.585 1.00 0.00 N ATOM 1175 CA ALA A 75 10.425 -9.067 -0.693 1.00 0.00 C ATOM 1176 C ALA A 75 10.389 -9.577 0.746 1.00 0.00 C ATOM 1177 O ALA A 75 11.015 -8.980 1.621 1.00 0.00 O ATOM 1178 CB ALA A 75 10.079 -7.576 -0.711 1.00 0.00 C ATOM 0 H ALA A 75 8.519 -9.760 -1.300 1.00 0.00 H new ATOM 0 HA ALA A 75 11.434 -9.240 -1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.761 -7.036 -0.054 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.175 -7.192 -1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.055 -7.436 -0.365 1.00 0.00 H new ATOM 1184 N ASP A 76 9.688 -10.676 1.003 1.00 0.00 N ATOM 1185 CA ASP A 76 9.641 -11.205 2.364 1.00 0.00 C ATOM 1186 C ASP A 76 9.348 -10.078 3.352 1.00 0.00 C ATOM 1187 O ASP A 76 9.892 -10.041 4.456 1.00 0.00 O ATOM 1188 CB ASP A 76 10.984 -11.853 2.694 1.00 0.00 C ATOM 1189 CG ASP A 76 10.869 -12.680 3.967 1.00 0.00 C ATOM 1190 OD1 ASP A 76 9.978 -13.511 4.034 1.00 0.00 O ATOM 1191 OD2 ASP A 76 11.676 -12.471 4.856 1.00 0.00 O ATOM 0 H ASP A 76 9.158 -11.206 0.311 1.00 0.00 H new ATOM 0 HA ASP A 76 8.848 -11.949 2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.303 -12.487 1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.746 -11.084 2.819 1.00 0.00 H new ATOM 1196 N CYS A 77 8.492 -9.157 2.920 1.00 0.00 N ATOM 1197 CA CYS A 77 8.113 -7.998 3.725 1.00 0.00 C ATOM 1198 C CYS A 77 7.710 -8.382 5.152 1.00 0.00 C ATOM 1199 O CYS A 77 7.933 -9.503 5.605 1.00 0.00 O ATOM 1200 CB CYS A 77 6.946 -7.279 3.045 1.00 0.00 C ATOM 1201 SG CYS A 77 7.449 -6.755 1.388 1.00 0.00 S ATOM 0 H CYS A 77 8.042 -9.192 2.005 1.00 0.00 H new ATOM 0 HA CYS A 77 8.984 -7.346 3.797 1.00 0.00 H new ATOM 0 HB2 CYS A 77 6.083 -7.941 2.983 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.643 -6.415 3.636 1.00 0.00 H new ATOM 0 HG CYS A 77 7.276 -7.735 0.552 1.00 0.00 H new ATOM 1207 N ALA A 78 7.100 -7.417 5.841 1.00 0.00 N ATOM 1208 CA ALA A 78 6.644 -7.614 7.215 1.00 0.00 C ATOM 1209 C ALA A 78 5.270 -8.283 7.226 1.00 0.00 C ATOM 1210 O ALA A 78 4.622 -8.400 6.188 1.00 0.00 O ATOM 1211 CB ALA A 78 6.570 -6.262 7.935 1.00 0.00 C ATOM 0 H ALA A 78 6.910 -6.487 5.467 1.00 0.00 H new ATOM 0 HA ALA A 78 7.353 -8.260 7.733 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.230 -6.413 8.959 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.558 -5.801 7.945 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.870 -5.610 7.413 1.00 0.00 H new ATOM 1217 N GLN A 79 4.832 -8.718 8.407 1.00 0.00 N ATOM 1218 CA GLN A 79 3.529 -9.377 8.555 1.00 0.00 C ATOM 1219 C GLN A 79 2.763 -8.764 9.720 1.00 0.00 C ATOM 1220 O GLN A 79 2.040 -9.454 10.436 1.00 0.00 O ATOM 1221 CB GLN A 79 3.745 -10.867 8.819 1.00 0.00 C ATOM 1222 CG GLN A 79 4.648 -11.032 10.044 1.00 0.00 C ATOM 1223 CD GLN A 79 4.962 -12.507 10.271 1.00 0.00 C ATOM 1224 OE1 GLN A 79 5.029 -13.282 9.317 1.00 0.00 O ATOM 1225 NE2 GLN A 79 5.164 -12.941 11.484 1.00 0.00 N ATOM 0 H GLN A 79 5.358 -8.627 9.276 1.00 0.00 H new ATOM 0 HA GLN A 79 2.953 -9.242 7.639 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.788 -11.362 8.987 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.200 -11.341 7.949 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.573 -10.473 9.901 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.158 -10.617 10.925 1.00 0.00 H new ATOM 0 HE21 GLN A 79 5.108 -12.296 12.272 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.378 -13.925 11.644 1.00 0.00 H new ATOM 1234 N LEU A 80 2.952 -7.467 9.922 1.00 0.00 N ATOM 1235 CA LEU A 80 2.305 -6.766 11.028 1.00 0.00 C ATOM 1236 C LEU A 80 0.782 -6.740 10.857 1.00 0.00 C ATOM 1237 O LEU A 80 0.050 -6.558 11.829 1.00 0.00 O ATOM 1238 CB LEU A 80 2.801 -5.310 11.107 1.00 0.00 C ATOM 1239 CG LEU A 80 4.295 -5.216 10.788 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.737 -3.767 10.961 1.00 0.00 C ATOM 1241 CD2 LEU A 80 5.107 -6.100 11.728 1.00 0.00 C ATOM 0 H LEU A 80 3.546 -6.879 9.338 1.00 0.00 H new ATOM 0 HA LEU A 80 2.560 -7.304 11.941 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.238 -4.693 10.407 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.614 -4.913 12.105 1.00 0.00 H new ATOM 0 HG LEU A 80 4.462 -5.553 9.765 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.800 -3.682 10.737 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.171 -3.130 10.281 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.556 -3.452 11.989 1.00 0.00 H new ATOM 0 HD21 LEU A 80 6.166 -6.017 11.482 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.947 -5.779 12.757 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.789 -7.137 11.617 1.00 0.00 H new ATOM 1253 N LEU A 81 0.301 -6.897 9.616 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.150 -6.853 9.339 1.00 0.00 C ATOM 1255 C LEU A 81 -1.705 -8.222 8.944 1.00 0.00 C ATOM 1256 O LEU A 81 -1.024 -9.028 8.308 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.452 -5.864 8.196 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.515 -4.669 8.259 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -0.804 -3.723 7.089 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -0.741 -3.925 9.563 1.00 0.00 C ATOM 0 H LEU A 81 0.884 -7.054 8.794 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.631 -6.531 10.263 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.344 -6.367 7.235 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.486 -5.526 8.264 1.00 0.00 H new ATOM 0 HG LEU A 81 0.517 -5.016 8.201 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.130 -2.868 7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.652 -4.251 6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.836 -3.376 7.148 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.071 -3.067 9.613 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.774 -3.582 9.612 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.540 -4.592 10.402 1.00 0.00 H new ATOM 1272 N GLU A 82 -2.965 -8.459 9.318 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.654 -9.709 9.004 1.00 0.00 C ATOM 1274 C GLU A 82 -4.846 -9.446 8.091 1.00 0.00 C ATOM 1275 O GLU A 82 -5.557 -8.455 8.251 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.127 -10.373 10.293 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.908 -10.857 11.076 1.00 0.00 C ATOM 1278 CD GLU A 82 -3.344 -11.449 12.412 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -4.534 -11.451 12.676 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -2.479 -11.887 13.154 1.00 0.00 O ATOM 0 H GLU A 82 -3.531 -7.793 9.844 1.00 0.00 H new ATOM 0 HA GLU A 82 -2.959 -10.372 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.703 -9.667 10.891 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.786 -11.211 10.066 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.368 -11.606 10.497 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.221 -10.027 11.244 1.00 0.00 H new ATOM 1287 N VAL A 83 -5.049 -10.343 7.134 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.135 -10.213 6.172 1.00 0.00 C ATOM 1289 C VAL A 83 -7.492 -10.140 6.870 1.00 0.00 C ATOM 1290 O VAL A 83 -8.294 -9.243 6.602 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.096 -11.445 5.261 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.332 -11.470 4.342 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.795 -11.431 4.435 1.00 0.00 C ATOM 0 H VAL A 83 -4.471 -11.173 7.004 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.007 -9.292 5.602 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.115 -12.348 5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.291 -12.350 3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.236 -11.506 4.949 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.345 -10.572 3.725 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.766 -12.307 3.787 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.760 -10.528 3.826 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.937 -11.449 5.107 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.748 -11.099 7.740 1.00 0.00 N ATOM 1304 CA ASP A 84 -9.021 -11.160 8.448 1.00 0.00 C ATOM 1305 C ASP A 84 -9.302 -9.852 9.182 1.00 0.00 C ATOM 1306 O ASP A 84 -10.416 -9.330 9.127 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.990 -12.311 9.449 1.00 0.00 C ATOM 1308 CG ASP A 84 -8.973 -13.641 8.706 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -9.538 -13.702 7.627 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -8.393 -14.581 9.227 1.00 0.00 O ATOM 0 H ASP A 84 -7.095 -11.847 7.976 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.815 -11.322 7.719 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.109 -12.228 10.085 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.861 -12.260 10.103 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.295 -9.330 9.873 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.461 -8.090 10.617 1.00 0.00 C ATOM 1317 C ASP A 85 -8.905 -6.975 9.686 1.00 0.00 C ATOM 1318 O ASP A 85 -9.847 -6.243 9.984 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.132 -7.706 11.268 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.842 -8.628 12.446 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -7.552 -9.608 12.596 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.913 -8.337 13.183 1.00 0.00 O ATOM 0 H ASP A 85 -7.364 -9.742 9.933 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.221 -8.237 11.385 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.327 -7.773 10.536 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.169 -6.671 11.607 1.00 0.00 H new ATOM 1327 N MET A 86 -8.243 -6.871 8.544 1.00 0.00 N ATOM 1328 CA MET A 86 -8.605 -5.857 7.564 1.00 0.00 C ATOM 1329 C MET A 86 -10.037 -6.073 7.090 1.00 0.00 C ATOM 1330 O MET A 86 -10.829 -5.136 6.994 1.00 0.00 O ATOM 1331 CB MET A 86 -7.643 -5.941 6.359 1.00 0.00 C ATOM 1332 CG MET A 86 -6.622 -4.795 6.394 1.00 0.00 C ATOM 1333 SD MET A 86 -5.164 -5.261 5.442 1.00 0.00 S ATOM 1334 CE MET A 86 -4.562 -6.533 6.573 1.00 0.00 C ATOM 0 H MET A 86 -7.461 -7.468 8.274 1.00 0.00 H new ATOM 0 HA MET A 86 -8.530 -4.872 8.025 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.122 -6.898 6.370 1.00 0.00 H new ATOM 0 HB3 MET A 86 -8.212 -5.899 5.430 1.00 0.00 H new ATOM 0 HG2 MET A 86 -7.064 -3.887 5.982 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.342 -4.574 7.424 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.476 -6.472 6.644 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.999 -6.379 7.560 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.847 -7.517 6.199 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.336 -7.322 6.792 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.650 -7.704 6.318 1.00 0.00 C ATOM 1346 C VAL A 87 -12.694 -7.489 7.402 1.00 0.00 C ATOM 1347 O VAL A 87 -13.792 -7.003 7.127 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.623 -9.173 5.892 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -13.038 -9.635 5.528 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.693 -9.332 4.681 1.00 0.00 C ATOM 0 H VAL A 87 -9.678 -8.097 6.871 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.917 -7.082 5.464 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.254 -9.784 6.715 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -13.012 -10.682 5.225 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.691 -9.523 6.393 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.418 -9.029 4.706 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.671 -10.378 4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -11.060 -8.720 3.857 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.687 -9.012 4.951 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.354 -7.850 8.635 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.268 -7.693 9.748 1.00 0.00 C ATOM 1362 C ARG A 88 -13.403 -6.230 10.163 1.00 0.00 C ATOM 1363 O ARG A 88 -14.512 -5.724 10.332 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.737 -8.528 10.925 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.438 -8.113 12.219 1.00 0.00 C ATOM 1366 CD ARG A 88 -13.137 -9.120 13.325 1.00 0.00 C ATOM 1367 NE ARG A 88 -13.725 -10.416 13.003 1.00 0.00 N ATOM 1368 CZ ARG A 88 -14.956 -10.734 13.396 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -15.927 -9.867 13.284 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -15.189 -11.911 13.903 1.00 0.00 N ATOM 0 H ARG A 88 -11.450 -8.253 8.883 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.258 -8.035 9.448 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.905 -9.588 10.735 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.660 -8.389 11.024 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.104 -7.120 12.520 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.514 -8.052 12.055 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.059 -9.223 13.449 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.534 -8.758 14.274 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.182 -11.092 12.466 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.743 -8.943 12.894 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.869 -10.115 13.586 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -14.429 -12.585 13.998 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.131 -12.159 14.205 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.271 -5.574 10.360 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.284 -4.185 10.789 1.00 0.00 C ATOM 1386 C LEU A 89 -12.831 -3.301 9.676 1.00 0.00 C ATOM 1387 O LEU A 89 -13.668 -2.428 9.908 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.858 -3.744 11.140 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.341 -4.513 12.371 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.832 -4.280 12.516 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -11.052 -4.032 13.648 1.00 0.00 C ATOM 0 H LEU A 89 -11.342 -5.975 10.232 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.923 -4.089 11.667 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.198 -3.920 10.291 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.842 -2.673 11.340 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.546 -5.575 12.233 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.462 -4.822 13.386 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.321 -4.637 11.622 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.639 -3.215 12.643 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.673 -4.587 14.506 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.862 -2.968 13.791 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.125 -4.200 13.552 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.305 -3.508 8.475 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.699 -2.692 7.337 1.00 0.00 C ATOM 1405 C ALA A 90 -12.441 -1.239 7.707 1.00 0.00 C ATOM 1406 O ALA A 90 -13.134 -0.324 7.263 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.178 -2.911 6.995 1.00 0.00 C ATOM 0 H ALA A 90 -11.612 -4.227 8.266 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.123 -2.968 6.454 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.450 -2.290 6.141 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.343 -3.960 6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.794 -2.638 7.852 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.408 -1.070 8.534 1.00 0.00 N ATOM 1414 CA VAL A 91 -10.981 0.237 9.020 1.00 0.00 C ATOM 1415 C VAL A 91 -9.544 0.147 9.558 1.00 0.00 C ATOM 1416 O VAL A 91 -9.312 0.366 10.745 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.911 0.714 10.159 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.346 2.010 10.800 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.317 0.996 9.605 1.00 0.00 C ATOM 0 H VAL A 91 -10.843 -1.843 8.886 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.025 0.946 8.193 1.00 0.00 H new ATOM 0 HB VAL A 91 -11.967 -0.070 10.915 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.008 2.338 11.601 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.354 1.812 11.207 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.278 2.791 10.043 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.966 1.332 10.414 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.258 1.771 8.841 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.725 0.085 9.167 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.579 -0.182 8.733 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.162 -0.293 9.181 1.00 0.00 C ATOM 1431 C PRO A 92 -6.767 0.892 10.061 1.00 0.00 C ATOM 1432 O PRO A 92 -7.553 1.814 10.273 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.332 -0.330 7.876 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.318 -0.230 6.740 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.717 -0.498 7.307 1.00 0.00 C ATOM 0 HA PRO A 92 -6.995 -1.180 9.791 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.620 0.495 7.845 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.755 -1.252 7.809 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.274 0.758 6.283 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.077 -0.953 5.961 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.470 0.128 6.829 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.020 -1.534 7.154 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.536 0.862 10.554 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.025 1.940 11.402 1.00 0.00 C ATOM 1445 C ASP A 93 -3.903 2.689 10.686 1.00 0.00 C ATOM 1446 O ASP A 93 -2.965 2.086 10.166 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.534 1.365 12.730 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.723 0.840 13.529 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.823 1.306 13.289 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.515 -0.029 14.360 1.00 0.00 O ATOM 0 H ASP A 93 -4.872 0.107 10.384 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.829 2.648 11.606 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.821 0.561 12.549 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.010 2.133 13.299 1.00 0.00 H new ATOM 1455 N SER A 94 -4.027 4.007 10.644 1.00 0.00 N ATOM 1456 CA SER A 94 -3.042 4.846 9.969 1.00 0.00 C ATOM 1457 C SER A 94 -1.630 4.484 10.399 1.00 0.00 C ATOM 1458 O SER A 94 -0.691 4.538 9.603 1.00 0.00 O ATOM 1459 CB SER A 94 -3.307 6.314 10.295 1.00 0.00 C ATOM 1460 OG SER A 94 -3.113 6.529 11.687 1.00 0.00 O ATOM 0 H SER A 94 -4.799 4.521 11.069 1.00 0.00 H new ATOM 0 HA SER A 94 -3.132 4.680 8.896 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.637 6.953 9.720 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.325 6.583 10.012 1.00 0.00 H new ATOM 0 HG SER A 94 -3.281 7.471 11.899 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.486 4.095 11.652 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.189 3.706 12.169 1.00 0.00 C ATOM 1468 C LYS A 95 0.217 2.345 11.629 1.00 0.00 C ATOM 1469 O LYS A 95 1.397 2.086 11.390 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.230 3.655 13.694 1.00 0.00 C ATOM 1471 CG LYS A 95 1.186 3.803 14.270 1.00 0.00 C ATOM 1472 CD LYS A 95 1.119 3.925 15.799 1.00 0.00 C ATOM 1473 CE LYS A 95 0.976 2.536 16.428 1.00 0.00 C ATOM 1474 NZ LYS A 95 2.133 1.689 16.022 1.00 0.00 N ATOM 0 H LYS A 95 -2.248 4.040 12.328 1.00 0.00 H new ATOM 0 HA LYS A 95 0.544 4.446 11.848 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.870 4.451 14.074 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.667 2.711 14.022 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.793 2.941 13.992 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.670 4.684 13.847 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.019 4.412 16.173 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.275 4.552 16.086 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.935 2.619 17.514 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.042 2.074 16.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 2.315 0.975 16.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 1.916 1.213 15.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.976 2.287 15.903 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.767 1.467 11.459 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.493 0.129 10.968 1.00 0.00 C ATOM 1490 C CYS A 96 0.014 0.177 9.531 1.00 0.00 C ATOM 1491 O CYS A 96 1.049 -0.403 9.203 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.769 -0.722 11.031 1.00 0.00 C ATOM 1493 SG CYS A 96 -1.970 -1.396 12.698 1.00 0.00 S ATOM 0 H CYS A 96 -1.750 1.659 11.653 1.00 0.00 H new ATOM 0 HA CYS A 96 0.276 -0.317 11.598 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.635 -0.116 10.766 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.713 -1.533 10.305 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.053 -2.114 12.748 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.728 0.881 8.682 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.354 1.015 7.286 1.00 0.00 C ATOM 1501 C VAL A 97 0.984 1.716 7.201 1.00 0.00 C ATOM 1502 O VAL A 97 1.868 1.315 6.450 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.398 1.849 6.541 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -0.949 2.069 5.094 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.748 1.127 6.561 1.00 0.00 C ATOM 0 H VAL A 97 -1.588 1.365 8.939 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.294 0.025 6.834 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.502 2.816 7.034 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.696 2.663 4.568 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.006 2.595 5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.837 1.105 4.597 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.488 1.725 6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.649 0.156 6.075 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.070 0.985 7.593 1.00 0.00 H new ATOM 1515 N TYR A 98 1.121 2.770 7.984 1.00 0.00 N ATOM 1516 CA TYR A 98 2.351 3.536 8.001 1.00 0.00 C ATOM 1517 C TYR A 98 3.514 2.648 8.394 1.00 0.00 C ATOM 1518 O TYR A 98 4.530 2.603 7.705 1.00 0.00 O ATOM 1519 CB TYR A 98 2.221 4.677 9.015 1.00 0.00 C ATOM 1520 CG TYR A 98 3.536 5.408 9.129 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.572 4.867 9.902 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.722 6.622 8.461 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.794 5.538 10.001 1.00 0.00 C ATOM 1524 CE2 TYR A 98 4.948 7.297 8.567 1.00 0.00 C ATOM 1525 CZ TYR A 98 5.983 6.752 9.336 1.00 0.00 C ATOM 1526 OH TYR A 98 7.190 7.412 9.431 1.00 0.00 O ATOM 0 H TYR A 98 0.397 3.114 8.615 1.00 0.00 H new ATOM 0 HA TYR A 98 2.533 3.941 7.005 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.437 5.366 8.703 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.929 4.281 9.987 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.426 3.931 10.421 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.924 7.039 7.865 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.594 5.117 10.593 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.093 8.237 8.055 1.00 0.00 H new ATOM 0 HH TYR A 98 7.152 8.240 8.907 1.00 0.00 H new ATOM 1536 N THR A 99 3.357 1.940 9.505 1.00 0.00 N ATOM 1537 CA THR A 99 4.410 1.063 9.980 1.00 0.00 C ATOM 1538 C THR A 99 4.756 0.033 8.917 1.00 0.00 C ATOM 1539 O THR A 99 5.932 -0.217 8.639 1.00 0.00 O ATOM 1540 CB THR A 99 3.967 0.349 11.259 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.474 1.304 12.189 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.158 -0.395 11.868 1.00 0.00 C ATOM 0 H THR A 99 2.519 1.957 10.086 1.00 0.00 H new ATOM 0 HA THR A 99 5.292 1.667 10.194 1.00 0.00 H new ATOM 0 HB THR A 99 3.178 -0.365 11.022 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.501 1.374 12.101 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.842 -0.903 12.779 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.532 -1.129 11.154 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.949 0.317 12.105 1.00 0.00 H new ATOM 1550 N TYR A 100 3.736 -0.556 8.311 1.00 0.00 N ATOM 1551 CA TYR A 100 3.946 -1.549 7.268 1.00 0.00 C ATOM 1552 C TYR A 100 4.675 -0.923 6.085 1.00 0.00 C ATOM 1553 O TYR A 100 5.676 -1.450 5.598 1.00 0.00 O ATOM 1554 CB TYR A 100 2.585 -2.038 6.788 1.00 0.00 C ATOM 1555 CG TYR A 100 2.779 -3.193 5.842 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.975 -2.953 4.479 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.757 -4.501 6.327 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.148 -4.029 3.599 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.931 -5.577 5.450 1.00 0.00 C ATOM 1560 CZ TYR A 100 3.125 -5.342 4.085 1.00 0.00 C ATOM 1561 OH TYR A 100 3.297 -6.402 3.219 1.00 0.00 O ATOM 0 H TYR A 100 2.757 -0.364 8.523 1.00 0.00 H new ATOM 0 HA TYR A 100 4.541 -2.371 7.667 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.976 -2.347 7.638 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.050 -1.230 6.289 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.993 -1.940 4.105 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.605 -4.683 7.381 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.299 -3.846 2.545 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.916 -6.589 5.827 1.00 0.00 H new ATOM 0 HH TYR A 100 3.494 -7.214 3.731 1.00 0.00 H new ATOM 1571 N ILE A 101 4.150 0.213 5.640 1.00 0.00 N ATOM 1572 CA ILE A 101 4.725 0.942 4.519 1.00 0.00 C ATOM 1573 C ILE A 101 6.158 1.331 4.863 1.00 0.00 C ATOM 1574 O ILE A 101 7.055 1.263 4.025 1.00 0.00 O ATOM 1575 CB ILE A 101 3.885 2.200 4.225 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.498 1.800 3.664 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.610 3.107 3.225 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.566 1.452 2.165 1.00 0.00 C ATOM 0 H ILE A 101 3.321 0.650 6.043 1.00 0.00 H new ATOM 0 HA ILE A 101 4.725 0.312 3.630 1.00 0.00 H new ATOM 0 HB ILE A 101 3.746 2.747 5.158 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.115 0.944 4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.795 2.619 3.816 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.003 3.991 3.029 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.571 3.412 3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.773 2.565 2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.573 1.177 1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.924 2.317 1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.249 0.616 2.016 1.00 0.00 H new ATOM 1590 N GLN A 102 6.350 1.738 6.113 1.00 0.00 N ATOM 1591 CA GLN A 102 7.667 2.137 6.593 1.00 0.00 C ATOM 1592 C GLN A 102 8.703 1.073 6.268 1.00 0.00 C ATOM 1593 O GLN A 102 9.667 1.319 5.542 1.00 0.00 O ATOM 1594 CB GLN A 102 7.628 2.330 8.111 1.00 0.00 C ATOM 1595 CG GLN A 102 8.848 3.132 8.555 1.00 0.00 C ATOM 1596 CD GLN A 102 8.898 3.213 10.077 1.00 0.00 C ATOM 1597 OE1 GLN A 102 8.809 4.301 10.644 1.00 0.00 O ATOM 1598 NE2 GLN A 102 9.041 2.119 10.776 1.00 0.00 N ATOM 0 H GLN A 102 5.610 1.800 6.812 1.00 0.00 H new ATOM 0 HA GLN A 102 7.940 3.070 6.099 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.714 2.850 8.399 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.615 1.362 8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.757 2.664 8.178 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.807 4.135 8.131 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.115 1.218 10.304 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.079 2.166 11.794 1.00 0.00 H new ATOM 1607 N GLU A 103 8.506 -0.110 6.836 1.00 0.00 N ATOM 1608 CA GLU A 103 9.442 -1.198 6.615 1.00 0.00 C ATOM 1609 C GLU A 103 9.564 -1.472 5.123 1.00 0.00 C ATOM 1610 O GLU A 103 10.665 -1.637 4.593 1.00 0.00 O ATOM 1611 CB GLU A 103 8.962 -2.450 7.350 1.00 0.00 C ATOM 1612 CG GLU A 103 10.002 -3.569 7.208 1.00 0.00 C ATOM 1613 CD GLU A 103 9.890 -4.217 5.832 1.00 0.00 C ATOM 1614 OE1 GLU A 103 8.780 -4.326 5.337 1.00 0.00 O ATOM 1615 OE2 GLU A 103 10.917 -4.592 5.292 1.00 0.00 O ATOM 0 H GLU A 103 7.719 -0.336 7.444 1.00 0.00 H new ATOM 0 HA GLU A 103 10.422 -0.920 7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.800 -2.224 8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.005 -2.777 6.943 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.004 -3.164 7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 103 9.850 -4.318 7.985 1.00 0.00 H new ATOM 1622 N LEU A 104 8.423 -1.529 4.456 1.00 0.00 N ATOM 1623 CA LEU A 104 8.388 -1.792 3.028 1.00 0.00 C ATOM 1624 C LEU A 104 9.168 -0.737 2.264 1.00 0.00 C ATOM 1625 O LEU A 104 9.959 -1.054 1.382 1.00 0.00 O ATOM 1626 CB LEU A 104 6.932 -1.740 2.578 1.00 0.00 C ATOM 1627 CG LEU A 104 6.789 -2.089 1.089 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.182 -3.553 0.843 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.332 -1.873 0.669 1.00 0.00 C ATOM 0 H LEU A 104 7.506 -1.396 4.883 1.00 0.00 H new ATOM 0 HA LEU A 104 8.835 -2.766 2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.341 -2.436 3.174 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.530 -0.743 2.759 1.00 0.00 H new ATOM 0 HG LEU A 104 7.448 -1.448 0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.075 -3.785 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.218 -3.708 1.146 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.532 -4.207 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.218 -2.118 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.683 -2.516 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.057 -0.831 0.832 1.00 0.00 H new ATOM 1641 N TYR A 105 8.935 0.519 2.617 1.00 0.00 N ATOM 1642 CA TYR A 105 9.604 1.627 1.955 1.00 0.00 C ATOM 1643 C TYR A 105 11.099 1.405 1.974 1.00 0.00 C ATOM 1644 O TYR A 105 11.783 1.556 0.963 1.00 0.00 O ATOM 1645 CB TYR A 105 9.288 2.913 2.717 1.00 0.00 C ATOM 1646 CG TYR A 105 9.999 4.080 2.080 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.484 4.658 0.917 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.171 4.589 2.656 1.00 0.00 C ATOM 1649 CE1 TYR A 105 10.137 5.744 0.327 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.825 5.675 2.067 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.307 6.254 0.902 1.00 0.00 C ATOM 1652 OH TYR A 105 11.950 7.326 0.320 1.00 0.00 O ATOM 0 H TYR A 105 8.289 0.795 3.357 1.00 0.00 H new ATOM 0 HA TYR A 105 9.260 1.699 0.923 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.212 3.089 2.718 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.596 2.813 3.758 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.581 4.266 0.474 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.569 4.142 3.555 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.739 6.190 -0.573 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.729 6.067 2.510 1.00 0.00 H new ATOM 0 HH TYR A 105 12.745 7.555 0.845 1.00 0.00 H new ATOM 1662 N ARG A 106 11.592 1.072 3.144 1.00 0.00 N ATOM 1663 CA ARG A 106 13.009 0.852 3.328 1.00 0.00 C ATOM 1664 C ARG A 106 13.517 -0.272 2.438 1.00 0.00 C ATOM 1665 O ARG A 106 14.606 -0.172 1.876 1.00 0.00 O ATOM 1666 CB ARG A 106 13.271 0.554 4.800 1.00 0.00 C ATOM 1667 CG ARG A 106 13.070 1.846 5.595 1.00 0.00 C ATOM 1668 CD ARG A 106 13.266 1.578 7.084 1.00 0.00 C ATOM 1669 NE ARG A 106 14.629 1.131 7.335 1.00 0.00 N ATOM 1670 CZ ARG A 106 14.952 0.540 8.477 1.00 0.00 C ATOM 1671 NH1 ARG A 106 15.007 1.237 9.577 1.00 0.00 N ATOM 1672 NH2 ARG A 106 15.211 -0.738 8.499 1.00 0.00 N ATOM 0 H ARG A 106 11.031 0.947 3.986 1.00 0.00 H new ATOM 0 HA ARG A 106 13.554 1.750 3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.593 -0.221 5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.285 0.178 4.937 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.777 2.604 5.257 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.070 2.241 5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 106 13.061 2.484 7.655 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.558 0.821 7.422 1.00 0.00 H new ATOM 0 HE ARG A 106 15.345 1.275 6.623 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.802 2.236 9.559 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.255 0.783 10.456 1.00 0.00 H new ATOM 0 HH21 ARG A 106 15.165 -1.283 7.638 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.460 -1.193 9.377 1.00 0.00 H new ATOM 1686 N SER A 107 12.727 -1.327 2.291 1.00 0.00 N ATOM 1687 CA SER A 107 13.135 -2.436 1.435 1.00 0.00 C ATOM 1688 C SER A 107 13.315 -1.945 -0.005 1.00 0.00 C ATOM 1689 O SER A 107 14.262 -2.330 -0.691 1.00 0.00 O ATOM 1690 CB SER A 107 12.090 -3.550 1.471 1.00 0.00 C ATOM 1691 OG SER A 107 12.537 -4.636 0.671 1.00 0.00 O ATOM 0 H SER A 107 11.819 -1.440 2.742 1.00 0.00 H new ATOM 0 HA SER A 107 14.082 -2.829 1.804 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.929 -3.881 2.497 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.134 -3.180 1.101 1.00 0.00 H new ATOM 0 HG SER A 107 11.955 -5.411 0.817 1.00 0.00 H new ATOM 1697 N LEU A 108 12.400 -1.089 -0.458 1.00 0.00 N ATOM 1698 CA LEU A 108 12.470 -0.543 -1.809 1.00 0.00 C ATOM 1699 C LEU A 108 13.679 0.374 -1.968 1.00 0.00 C ATOM 1700 O LEU A 108 14.287 0.437 -3.036 1.00 0.00 O ATOM 1701 CB LEU A 108 11.215 0.274 -2.130 1.00 0.00 C ATOM 1702 CG LEU A 108 9.946 -0.546 -1.887 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.725 0.363 -2.060 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.864 -1.701 -2.893 1.00 0.00 C ATOM 0 H LEU A 108 11.605 -0.761 0.090 1.00 0.00 H new ATOM 0 HA LEU A 108 12.554 -1.389 -2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.195 1.172 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.247 0.601 -3.169 1.00 0.00 H new ATOM 0 HG LEU A 108 9.969 -0.956 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.816 -0.213 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.777 1.182 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.713 0.768 -3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.957 -2.278 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.842 -1.300 -3.906 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.734 -2.347 -2.777 1.00 0.00 H new ATOM 1716 N VAL A 109 13.996 1.120 -0.912 1.00 0.00 N ATOM 1717 CA VAL A 109 15.104 2.059 -0.969 1.00 0.00 C ATOM 1718 C VAL A 109 16.414 1.329 -1.222 1.00 0.00 C ATOM 1719 O VAL A 109 17.176 1.702 -2.116 1.00 0.00 O ATOM 1720 CB VAL A 109 15.171 2.844 0.346 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.470 3.649 0.408 1.00 0.00 C ATOM 1722 CG2 VAL A 109 13.980 3.805 0.419 1.00 0.00 C ATOM 0 H VAL A 109 13.505 1.091 -0.018 1.00 0.00 H new ATOM 0 HA VAL A 109 14.943 2.752 -1.794 1.00 0.00 H new ATOM 0 HB VAL A 109 15.140 2.146 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.510 4.204 1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.321 2.971 0.351 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.506 4.347 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.022 4.366 1.352 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.019 4.497 -0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.051 3.237 0.379 1.00 0.00 H new ATOM 1732 N GLN A 110 16.668 0.282 -0.446 1.00 0.00 N ATOM 1733 CA GLN A 110 17.887 -0.486 -0.628 1.00 0.00 C ATOM 1734 C GLN A 110 17.853 -1.172 -1.983 1.00 0.00 C ATOM 1735 O GLN A 110 18.826 -1.135 -2.737 1.00 0.00 O ATOM 1736 CB GLN A 110 18.039 -1.533 0.485 1.00 0.00 C ATOM 1737 CG GLN A 110 16.749 -2.350 0.639 1.00 0.00 C ATOM 1738 CD GLN A 110 16.821 -3.252 1.868 1.00 0.00 C ATOM 1739 OE1 GLN A 110 16.200 -2.905 2.964 1.00 0.00 O flip ATOM 1740 NE2 GLN A 110 17.441 -4.316 1.820 1.00 0.00 N flip ATOM 0 H GLN A 110 16.057 -0.048 0.301 1.00 0.00 H new ATOM 0 HA GLN A 110 18.740 0.190 -0.581 1.00 0.00 H new ATOM 0 HB2 GLN A 110 18.871 -2.198 0.255 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.277 -1.038 1.427 1.00 0.00 H new ATOM 0 HG2 GLN A 110 15.896 -1.677 0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.588 -2.956 -0.253 1.00 0.00 H new ATOM 0 HE21 GLN A 110 17.925 -4.586 0.964 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.470 -4.927 2.636 1.00 0.00 H new ATOM 1749 N LYS A 111 16.723 -1.802 -2.280 1.00 0.00 N ATOM 1750 CA LYS A 111 16.557 -2.505 -3.538 1.00 0.00 C ATOM 1751 C LYS A 111 16.809 -1.556 -4.707 1.00 0.00 C ATOM 1752 O LYS A 111 17.248 -1.982 -5.774 1.00 0.00 O ATOM 1753 CB LYS A 111 15.131 -3.079 -3.633 1.00 0.00 C ATOM 1754 CG LYS A 111 15.081 -4.208 -4.677 1.00 0.00 C ATOM 1755 CD LYS A 111 15.901 -5.435 -4.185 1.00 0.00 C ATOM 1756 CE LYS A 111 15.115 -6.727 -4.438 1.00 0.00 C ATOM 1757 NZ LYS A 111 13.821 -6.676 -3.694 1.00 0.00 N ATOM 0 H LYS A 111 15.910 -1.838 -1.665 1.00 0.00 H new ATOM 0 HA LYS A 111 17.277 -3.322 -3.582 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.819 -3.459 -2.660 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.431 -2.290 -3.907 1.00 0.00 H new ATOM 0 HG2 LYS A 111 14.047 -4.501 -4.856 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.480 -3.852 -5.627 1.00 0.00 H new ATOM 0 HD2 LYS A 111 16.859 -5.475 -4.704 1.00 0.00 H new ATOM 0 HD3 LYS A 111 16.119 -5.334 -3.122 1.00 0.00 H new ATOM 0 HE2 LYS A 111 14.929 -6.849 -5.505 1.00 0.00 H new ATOM 0 HE3 LYS A 111 15.698 -7.589 -4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.568 -7.632 -3.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.918 -6.047 -2.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.074 -6.313 -4.320 1.00 0.00 H new ATOM 1771 N GLY A 112 16.512 -0.274 -4.503 1.00 0.00 N ATOM 1772 CA GLY A 112 16.693 0.724 -5.558 1.00 0.00 C ATOM 1773 C GLY A 112 15.442 0.783 -6.419 1.00 0.00 C ATOM 1774 O GLY A 112 15.458 1.279 -7.547 1.00 0.00 O ATOM 0 H GLY A 112 16.148 0.097 -3.625 1.00 0.00 H new ATOM 0 HA2 GLY A 112 16.891 1.702 -5.119 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.558 0.469 -6.171 1.00 0.00 H new ATOM 1778 N LEU A 113 14.359 0.277 -5.848 1.00 0.00 N ATOM 1779 CA LEU A 113 13.060 0.256 -6.504 1.00 0.00 C ATOM 1780 C LEU A 113 12.404 1.640 -6.459 1.00 0.00 C ATOM 1781 O LEU A 113 11.714 2.044 -7.393 1.00 0.00 O ATOM 1782 CB LEU A 113 12.171 -0.775 -5.802 1.00 0.00 C ATOM 1783 CG LEU A 113 12.497 -2.196 -6.297 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.758 -3.211 -5.418 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.060 -2.369 -7.770 1.00 0.00 C ATOM 0 H LEU A 113 14.356 -0.132 -4.914 1.00 0.00 H new ATOM 0 HA LEU A 113 13.189 -0.017 -7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.319 -0.717 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.122 -0.549 -5.993 1.00 0.00 H new ATOM 0 HG LEU A 113 13.573 -2.360 -6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.983 -4.221 -5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.081 -3.099 -4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.684 -3.036 -5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.298 -3.379 -8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.986 -2.203 -7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.588 -1.647 -8.393 1.00 0.00 H new ATOM 1797 N VAL A 114 12.612 2.346 -5.355 1.00 0.00 N ATOM 1798 CA VAL A 114 12.024 3.674 -5.178 1.00 0.00 C ATOM 1799 C VAL A 114 12.508 4.641 -6.255 1.00 0.00 C ATOM 1800 O VAL A 114 11.749 5.494 -6.718 1.00 0.00 O ATOM 1801 CB VAL A 114 12.334 4.198 -3.749 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.436 5.733 -3.730 1.00 0.00 C ATOM 1803 CG2 VAL A 114 11.217 3.758 -2.773 1.00 0.00 C ATOM 0 H VAL A 114 13.180 2.026 -4.570 1.00 0.00 H new ATOM 0 HA VAL A 114 10.942 3.599 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 114 13.291 3.777 -3.439 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.654 6.071 -2.717 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.235 6.053 -4.399 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.491 6.165 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 114 11.441 4.129 -1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.262 4.165 -3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 114 11.160 2.670 -2.752 1.00 0.00 H new