USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 554 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 60 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 81 ASN : amide:sc= -0.226 K(o=-0.23,f=-0.83) USER MOD Set 2.1: A 28 MET CE :methyl -136:sc= 0 (180deg=-0.00286) USER MOD Set 2.2: A 50 THR OG1 : rot -150:sc= 0 USER MOD Single : A 7 THR OG1 : rot -31:sc= 0.296 USER MOD Single : A 8 ASN : amide:sc= -0.482 K(o=-0.48,f=-3.4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0125 USER MOD Single : A 13 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.4!) USER MOD Single : A 14 MET CE :methyl -174:sc= -0.0135 (180deg=-0.0828) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.666 K(o=0.67,f=-5.8!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -0.123 X(o=-0.12,f=-0.13) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot -140:sc= -0.128 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N THR A 7 6.773 11.790 -1.867 1.00 0.00 N ATOM 102 CA THR A 7 6.292 12.030 -3.219 1.00 0.00 C ATOM 103 C THR A 7 5.721 10.759 -3.848 1.00 0.00 C ATOM 104 O THR A 7 5.881 9.651 -3.332 1.00 0.00 O ATOM 105 CB THR A 7 7.452 12.616 -4.053 1.00 0.00 C ATOM 106 OG1 THR A 7 8.611 11.813 -3.900 1.00 0.00 O ATOM 107 CG2 THR A 7 7.788 14.036 -3.592 1.00 0.00 C ATOM 0 HA THR A 7 5.470 12.746 -3.193 1.00 0.00 H new ATOM 0 HB THR A 7 7.138 12.636 -5.097 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.614 11.409 -3.007 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.608 14.429 -4.193 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.912 14.674 -3.711 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.084 14.018 -2.543 1.00 0.00 H new ATOM 115 N ASN A 8 5.058 10.921 -4.990 1.00 0.00 N ATOM 116 CA ASN A 8 4.630 9.823 -5.858 1.00 0.00 C ATOM 117 C ASN A 8 5.304 10.075 -7.190 1.00 0.00 C ATOM 118 O ASN A 8 5.257 11.205 -7.684 1.00 0.00 O ATOM 119 CB ASN A 8 3.103 9.781 -6.015 1.00 0.00 C ATOM 120 CG ASN A 8 2.366 9.557 -4.702 1.00 0.00 C ATOM 121 OD1 ASN A 8 1.713 10.458 -4.193 1.00 0.00 O ATOM 122 ND2 ASN A 8 2.464 8.381 -4.110 1.00 0.00 N ATOM 0 H ASN A 8 4.796 11.840 -5.347 1.00 0.00 H new ATOM 0 HA ASN A 8 4.909 8.858 -5.436 1.00 0.00 H new ATOM 0 HB2 ASN A 8 2.765 10.718 -6.458 1.00 0.00 H new ATOM 0 HB3 ASN A 8 2.839 8.986 -6.712 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.993 8.217 -3.220 1.00 0.00 H new ATOM 0 HD22 ASN A 8 3.011 7.636 -4.542 1.00 0.00 H new ATOM 129 N THR A 9 5.920 9.042 -7.757 1.00 0.00 N ATOM 130 CA THR A 9 6.608 9.123 -9.034 1.00 0.00 C ATOM 131 C THR A 9 5.934 8.149 -9.987 1.00 0.00 C ATOM 132 O THR A 9 5.560 7.049 -9.584 1.00 0.00 O ATOM 133 CB THR A 9 8.114 8.852 -8.857 1.00 0.00 C ATOM 134 OG1 THR A 9 8.653 9.784 -7.936 1.00 0.00 O ATOM 135 CG2 THR A 9 8.883 8.883 -10.187 1.00 0.00 C ATOM 0 H THR A 9 5.954 8.114 -7.334 1.00 0.00 H new ATOM 0 HA THR A 9 6.538 10.126 -9.456 1.00 0.00 H new ATOM 0 HB THR A 9 8.229 7.841 -8.466 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.611 9.613 -7.820 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.939 8.686 -10.001 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.484 8.121 -10.856 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.773 9.864 -10.648 1.00 0.00 H new ATOM 143 N TRP A 10 5.827 8.530 -11.255 1.00 0.00 N ATOM 144 CA TRP A 10 5.285 7.719 -12.326 1.00 0.00 C ATOM 145 C TRP A 10 6.187 7.866 -13.536 1.00 0.00 C ATOM 146 O TRP A 10 6.877 8.872 -13.692 1.00 0.00 O ATOM 147 CB TRP A 10 3.855 8.176 -12.636 1.00 0.00 C ATOM 148 CG TRP A 10 2.889 8.030 -11.508 1.00 0.00 C ATOM 149 CD1 TRP A 10 2.224 6.901 -11.213 1.00 0.00 C ATOM 150 CD2 TRP A 10 2.426 9.019 -10.541 1.00 0.00 C ATOM 151 NE1 TRP A 10 1.398 7.105 -10.127 1.00 0.00 N ATOM 152 CE2 TRP A 10 1.458 8.410 -9.689 1.00 0.00 C ATOM 153 CE3 TRP A 10 2.689 10.384 -10.341 1.00 0.00 C ATOM 154 CZ2 TRP A 10 0.768 9.133 -8.701 1.00 0.00 C ATOM 155 CZ3 TRP A 10 1.979 11.129 -9.384 1.00 0.00 C ATOM 156 CH2 TRP A 10 1.015 10.510 -8.565 1.00 0.00 C ATOM 0 H TRP A 10 6.129 9.451 -11.572 1.00 0.00 H new ATOM 0 HA TRP A 10 5.245 6.668 -12.039 1.00 0.00 H new ATOM 0 HB2 TRP A 10 3.882 9.223 -12.939 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.484 7.607 -13.488 1.00 0.00 H new ATOM 0 HD1 TRP A 10 2.322 5.968 -11.749 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.817 6.382 -9.702 1.00 0.00 H new ATOM 0 HE3 TRP A 10 3.450 10.870 -10.933 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 0.058 8.638 -8.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.174 12.186 -9.276 1.00 0.00 H new ATOM 0 HH2 TRP A 10 0.468 11.090 -7.836 1.00 0.00 H new ATOM 167 N VAL A 11 6.149 6.870 -14.407 1.00 0.00 N ATOM 168 CA VAL A 11 6.780 6.888 -15.708 1.00 0.00 C ATOM 169 C VAL A 11 5.665 6.799 -16.747 1.00 0.00 C ATOM 170 O VAL A 11 4.748 5.989 -16.600 1.00 0.00 O ATOM 171 CB VAL A 11 7.819 5.776 -15.816 1.00 0.00 C ATOM 172 CG1 VAL A 11 8.600 5.882 -17.138 1.00 0.00 C ATOM 173 CG2 VAL A 11 8.791 5.766 -14.624 1.00 0.00 C ATOM 0 H VAL A 11 5.658 5.996 -14.216 1.00 0.00 H new ATOM 0 HA VAL A 11 7.339 7.808 -15.879 1.00 0.00 H new ATOM 0 HB VAL A 11 7.273 4.833 -15.800 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.335 5.079 -17.192 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.909 5.798 -17.977 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.110 6.844 -17.183 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.511 4.957 -14.748 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.320 6.718 -14.578 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.232 5.616 -13.700 1.00 0.00 H new ATOM 183 N LEU A 12 5.738 7.631 -17.785 1.00 0.00 N ATOM 184 CA LEU A 12 4.798 7.641 -18.892 1.00 0.00 C ATOM 185 C LEU A 12 5.580 7.401 -20.164 1.00 0.00 C ATOM 186 O LEU A 12 6.334 8.270 -20.598 1.00 0.00 O ATOM 187 CB LEU A 12 4.059 8.984 -18.967 1.00 0.00 C ATOM 188 CG LEU A 12 3.174 9.320 -17.765 1.00 0.00 C ATOM 189 CD1 LEU A 12 2.547 10.699 -18.007 1.00 0.00 C ATOM 190 CD2 LEU A 12 2.100 8.247 -17.587 1.00 0.00 C ATOM 0 H LEU A 12 6.473 8.332 -17.876 1.00 0.00 H new ATOM 0 HA LEU A 12 4.048 6.862 -18.752 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.796 9.778 -19.086 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.440 8.988 -19.864 1.00 0.00 H new ATOM 0 HG LEU A 12 3.764 9.345 -16.849 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.910 10.962 -17.163 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.336 11.444 -18.113 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.949 10.672 -18.918 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.476 8.496 -16.729 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.482 8.199 -18.484 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.575 7.280 -17.422 1.00 0.00 H new ATOM 202 N HIS A 13 5.388 6.233 -20.766 1.00 0.00 N ATOM 203 CA HIS A 13 5.906 5.959 -22.093 1.00 0.00 C ATOM 204 C HIS A 13 4.907 6.554 -23.090 1.00 0.00 C ATOM 205 O HIS A 13 3.771 6.079 -23.170 1.00 0.00 O ATOM 206 CB HIS A 13 6.123 4.451 -22.288 1.00 0.00 C ATOM 207 CG HIS A 13 6.740 4.072 -23.616 1.00 0.00 C ATOM 208 ND1 HIS A 13 7.642 4.806 -24.356 1.00 0.00 N ATOM 209 CD2 HIS A 13 6.525 2.901 -24.297 1.00 0.00 C ATOM 210 CE1 HIS A 13 7.963 4.093 -25.450 1.00 0.00 C ATOM 211 NE2 HIS A 13 7.304 2.919 -25.463 1.00 0.00 N ATOM 0 H HIS A 13 4.873 5.458 -20.349 1.00 0.00 H new ATOM 0 HA HIS A 13 6.884 6.415 -22.247 1.00 0.00 H new ATOM 0 HB2 HIS A 13 6.763 4.082 -21.486 1.00 0.00 H new ATOM 0 HB3 HIS A 13 5.164 3.943 -22.189 1.00 0.00 H new ATOM 0 HD1 HIS A 13 8.003 5.729 -24.116 1.00 0.00 H new ATOM 0 HD2 HIS A 13 5.868 2.102 -23.988 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.655 4.418 -26.213 1.00 0.00 H new ATOM 219 N MET A 14 5.290 7.616 -23.806 1.00 0.00 N ATOM 220 CA MET A 14 4.429 8.344 -24.733 1.00 0.00 C ATOM 221 C MET A 14 5.284 8.876 -25.879 1.00 0.00 C ATOM 222 O MET A 14 6.393 9.352 -25.639 1.00 0.00 O ATOM 223 CB MET A 14 3.706 9.517 -24.039 1.00 0.00 C ATOM 224 CG MET A 14 2.816 9.091 -22.865 1.00 0.00 C ATOM 225 SD MET A 14 1.778 10.384 -22.119 1.00 0.00 S ATOM 226 CE MET A 14 3.010 11.653 -21.710 1.00 0.00 C ATOM 0 H MET A 14 6.233 8.000 -23.753 1.00 0.00 H new ATOM 0 HA MET A 14 3.666 7.661 -25.106 1.00 0.00 H new ATOM 0 HB2 MET A 14 4.450 10.228 -23.679 1.00 0.00 H new ATOM 0 HB3 MET A 14 3.095 10.040 -24.774 1.00 0.00 H new ATOM 0 HG2 MET A 14 2.165 8.286 -23.206 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.455 8.676 -22.086 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.532 12.457 -21.151 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.801 11.210 -21.105 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.438 12.054 -22.629 1.00 0.00 H new ATOM 236 N ASP A 15 4.771 8.816 -27.112 1.00 0.00 N ATOM 237 CA ASP A 15 5.424 9.327 -28.327 1.00 0.00 C ATOM 238 C ASP A 15 6.880 8.839 -28.477 1.00 0.00 C ATOM 239 O ASP A 15 7.771 9.568 -28.920 1.00 0.00 O ATOM 240 CB ASP A 15 5.256 10.853 -28.423 1.00 0.00 C ATOM 241 CG ASP A 15 5.697 11.404 -29.792 1.00 0.00 C ATOM 242 OD1 ASP A 15 5.324 10.821 -30.841 1.00 0.00 O ATOM 243 OD2 ASP A 15 6.363 12.469 -29.834 1.00 0.00 O ATOM 0 H ASP A 15 3.860 8.397 -27.301 1.00 0.00 H new ATOM 0 HA ASP A 15 4.917 8.901 -29.192 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.212 11.113 -28.248 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.840 11.331 -27.636 1.00 0.00 H new ATOM 248 N GLY A 16 7.131 7.590 -28.064 1.00 0.00 N ATOM 249 CA GLY A 16 8.444 6.948 -28.115 1.00 0.00 C ATOM 250 C GLY A 16 9.401 7.411 -27.008 1.00 0.00 C ATOM 251 O GLY A 16 10.470 6.817 -26.850 1.00 0.00 O ATOM 0 H GLY A 16 6.406 6.986 -27.676 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.314 5.868 -28.042 1.00 0.00 H new ATOM 0 HA3 GLY A 16 8.900 7.149 -29.085 1.00 0.00 H new ATOM 255 N GLU A 17 9.032 8.423 -26.221 1.00 0.00 N ATOM 256 CA GLU A 17 9.768 8.913 -25.069 1.00 0.00 C ATOM 257 C GLU A 17 9.306 8.210 -23.794 1.00 0.00 C ATOM 258 O GLU A 17 8.308 7.483 -23.785 1.00 0.00 O ATOM 259 CB GLU A 17 9.640 10.446 -24.951 1.00 0.00 C ATOM 260 CG GLU A 17 10.913 11.171 -25.403 1.00 0.00 C ATOM 261 CD GLU A 17 12.190 10.777 -24.629 1.00 0.00 C ATOM 262 OE1 GLU A 17 12.105 10.299 -23.471 1.00 0.00 O ATOM 263 OE2 GLU A 17 13.301 10.939 -25.190 1.00 0.00 O ATOM 0 H GLU A 17 8.170 8.944 -26.383 1.00 0.00 H new ATOM 0 HA GLU A 17 10.824 8.681 -25.209 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.797 10.786 -25.553 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.420 10.712 -23.917 1.00 0.00 H new ATOM 0 HG2 GLU A 17 11.071 10.972 -26.463 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.759 12.245 -25.300 1.00 0.00 H new ATOM 270 N ASN A 18 10.035 8.444 -22.705 1.00 0.00 N ATOM 271 CA ASN A 18 9.676 8.050 -21.354 1.00 0.00 C ATOM 272 C ASN A 18 9.796 9.287 -20.479 1.00 0.00 C ATOM 273 O ASN A 18 10.902 9.777 -20.240 1.00 0.00 O ATOM 274 CB ASN A 18 10.549 6.901 -20.827 1.00 0.00 C ATOM 275 CG ASN A 18 9.989 5.544 -21.233 1.00 0.00 C ATOM 276 OD1 ASN A 18 9.152 4.981 -20.533 1.00 0.00 O ATOM 277 ND2 ASN A 18 10.401 5.004 -22.371 1.00 0.00 N ATOM 0 H ASN A 18 10.929 8.934 -22.747 1.00 0.00 H new ATOM 0 HA ASN A 18 8.656 7.665 -21.341 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.563 7.007 -21.212 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.612 6.959 -19.740 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.022 4.108 -22.677 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.097 5.485 -22.941 1.00 0.00 H new ATOM 284 N PHE A 19 8.659 9.787 -19.999 1.00 0.00 N ATOM 285 CA PHE A 19 8.584 10.978 -19.162 1.00 0.00 C ATOM 286 C PHE A 19 8.469 10.535 -17.715 1.00 0.00 C ATOM 287 O PHE A 19 7.611 9.709 -17.396 1.00 0.00 O ATOM 288 CB PHE A 19 7.383 11.848 -19.565 1.00 0.00 C ATOM 289 CG PHE A 19 7.433 12.338 -20.997 1.00 0.00 C ATOM 290 CD1 PHE A 19 8.091 13.543 -21.306 1.00 0.00 C ATOM 291 CD2 PHE A 19 6.847 11.577 -22.028 1.00 0.00 C ATOM 292 CE1 PHE A 19 8.190 13.971 -22.642 1.00 0.00 C ATOM 293 CE2 PHE A 19 6.942 12.011 -23.362 1.00 0.00 C ATOM 294 CZ PHE A 19 7.625 13.198 -23.673 1.00 0.00 C ATOM 0 H PHE A 19 7.749 9.366 -20.186 1.00 0.00 H new ATOM 0 HA PHE A 19 9.482 11.583 -19.292 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.467 11.276 -19.419 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.331 12.709 -18.898 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.521 14.140 -20.516 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.325 10.661 -21.794 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.700 14.894 -22.877 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.488 11.429 -24.151 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.716 13.517 -24.701 1.00 0.00 H new ATOM 304 N ARG A 20 9.309 11.068 -16.830 1.00 0.00 N ATOM 305 CA ARG A 20 9.151 10.894 -15.397 1.00 0.00 C ATOM 306 C ARG A 20 8.258 12.002 -14.890 1.00 0.00 C ATOM 307 O ARG A 20 8.437 13.164 -15.245 1.00 0.00 O ATOM 308 CB ARG A 20 10.494 10.824 -14.661 1.00 0.00 C ATOM 309 CG ARG A 20 11.110 9.429 -14.865 1.00 0.00 C ATOM 310 CD ARG A 20 11.657 8.854 -13.557 1.00 0.00 C ATOM 311 NE ARG A 20 12.765 9.662 -13.004 1.00 0.00 N ATOM 312 CZ ARG A 20 14.065 9.578 -13.328 1.00 0.00 C ATOM 313 NH1 ARG A 20 14.487 8.719 -14.253 1.00 0.00 N ATOM 314 NH2 ARG A 20 14.945 10.368 -12.720 1.00 0.00 N ATOM 0 H ARG A 20 10.117 11.632 -17.092 1.00 0.00 H new ATOM 0 HA ARG A 20 8.682 9.932 -15.193 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.170 11.592 -15.038 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.351 11.020 -13.598 1.00 0.00 H new ATOM 0 HG2 ARG A 20 10.356 8.755 -15.272 1.00 0.00 H new ATOM 0 HG3 ARG A 20 11.913 9.490 -15.600 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.852 8.797 -12.824 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.005 7.835 -13.729 1.00 0.00 H new ATOM 0 HE ARG A 20 12.515 10.358 -12.301 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.819 8.112 -14.728 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.478 8.668 -14.487 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.631 11.032 -12.013 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.934 10.310 -12.961 1.00 0.00 H new ATOM 328 N ILE A 21 7.324 11.626 -14.037 1.00 0.00 N ATOM 329 CA ILE A 21 6.408 12.512 -13.349 1.00 0.00 C ATOM 330 C ILE A 21 6.724 12.352 -11.879 1.00 0.00 C ATOM 331 O ILE A 21 6.809 11.216 -11.427 1.00 0.00 O ATOM 332 CB ILE A 21 4.941 12.132 -13.632 1.00 0.00 C ATOM 333 CG1 ILE A 21 4.628 12.169 -15.136 1.00 0.00 C ATOM 334 CG2 ILE A 21 3.933 12.975 -12.820 1.00 0.00 C ATOM 335 CD1 ILE A 21 4.718 13.542 -15.804 1.00 0.00 C ATOM 0 H ILE A 21 7.178 10.646 -13.794 1.00 0.00 H new ATOM 0 HA ILE A 21 6.526 13.542 -13.684 1.00 0.00 H new ATOM 0 HB ILE A 21 4.821 11.103 -13.292 1.00 0.00 H new ATOM 0 HG12 ILE A 21 5.313 11.492 -15.647 1.00 0.00 H new ATOM 0 HG13 ILE A 21 3.622 11.778 -15.288 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.918 12.661 -13.062 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.113 12.831 -11.755 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.056 14.029 -13.069 1.00 0.00 H new ATOM 0 HD11 ILE A 21 4.477 13.448 -16.863 1.00 0.00 H new ATOM 0 HD12 ILE A 21 4.012 14.224 -15.331 1.00 0.00 H new ATOM 0 HD13 ILE A 21 5.729 13.934 -15.695 1.00 0.00 H new ATOM 347 N VAL A 22 6.847 13.436 -11.124 1.00 0.00 N ATOM 348 CA VAL A 22 6.927 13.394 -9.682 1.00 0.00 C ATOM 349 C VAL A 22 5.933 14.433 -9.169 1.00 0.00 C ATOM 350 O VAL A 22 6.025 15.605 -9.520 1.00 0.00 O ATOM 351 CB VAL A 22 8.371 13.621 -9.191 1.00 0.00 C ATOM 352 CG1 VAL A 22 8.457 13.436 -7.668 1.00 0.00 C ATOM 353 CG2 VAL A 22 9.371 12.663 -9.842 1.00 0.00 C ATOM 0 H VAL A 22 6.894 14.380 -11.508 1.00 0.00 H new ATOM 0 HA VAL A 22 6.664 12.412 -9.288 1.00 0.00 H new ATOM 0 HB VAL A 22 8.630 14.641 -9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.483 13.600 -7.339 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.799 14.153 -7.177 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.150 12.423 -7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.371 12.867 -9.460 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.096 11.635 -9.607 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.359 12.804 -10.923 1.00 0.00 H new ATOM 363 N LEU A 23 4.975 14.006 -8.352 1.00 0.00 N ATOM 364 CA LEU A 23 4.090 14.899 -7.612 1.00 0.00 C ATOM 365 C LEU A 23 4.776 15.228 -6.290 1.00 0.00 C ATOM 366 O LEU A 23 5.133 14.309 -5.548 1.00 0.00 O ATOM 367 CB LEU A 23 2.753 14.172 -7.363 1.00 0.00 C ATOM 368 CG LEU A 23 1.899 14.722 -6.190 1.00 0.00 C ATOM 369 CD1 LEU A 23 1.297 16.104 -6.457 1.00 0.00 C ATOM 370 CD2 LEU A 23 0.790 13.738 -5.822 1.00 0.00 C ATOM 0 H LEU A 23 4.789 13.017 -8.183 1.00 0.00 H new ATOM 0 HA LEU A 23 3.890 15.818 -8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.159 14.220 -8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.962 13.119 -7.174 1.00 0.00 H new ATOM 0 HG LEU A 23 2.589 14.838 -5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.714 16.420 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.098 16.821 -6.637 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.650 16.056 -7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.203 14.143 -4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.143 13.580 -6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.232 12.788 -5.521 1.00 0.00 H new ATOM 382 N GLU A 24 4.911 16.512 -5.967 1.00 0.00 N ATOM 383 CA GLU A 24 5.326 16.988 -4.663 1.00 0.00 C ATOM 384 C GLU A 24 4.070 17.347 -3.875 1.00 0.00 C ATOM 385 O GLU A 24 3.345 18.274 -4.237 1.00 0.00 O ATOM 386 CB GLU A 24 6.314 18.160 -4.798 1.00 0.00 C ATOM 387 CG GLU A 24 7.715 17.738 -4.357 1.00 0.00 C ATOM 388 CD GLU A 24 7.873 17.516 -2.833 1.00 0.00 C ATOM 389 OE1 GLU A 24 6.870 17.256 -2.124 1.00 0.00 O ATOM 390 OE2 GLU A 24 9.028 17.592 -2.346 1.00 0.00 O ATOM 0 H GLU A 24 4.728 17.266 -6.629 1.00 0.00 H new ATOM 0 HA GLU A 24 5.867 16.215 -4.118 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.341 18.503 -5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.974 19.000 -4.193 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.982 16.817 -4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.426 18.500 -4.675 1.00 0.00 H new ATOM 397 N LYS A 25 3.785 16.598 -2.805 1.00 0.00 N ATOM 398 CA LYS A 25 2.526 16.725 -2.062 1.00 0.00 C ATOM 399 C LYS A 25 2.436 18.045 -1.295 1.00 0.00 C ATOM 400 O LYS A 25 1.329 18.509 -1.031 1.00 0.00 O ATOM 401 CB LYS A 25 2.367 15.557 -1.080 1.00 0.00 C ATOM 402 CG LYS A 25 2.103 14.221 -1.786 1.00 0.00 C ATOM 403 CD LYS A 25 1.987 13.120 -0.725 1.00 0.00 C ATOM 404 CE LYS A 25 1.692 11.758 -1.363 1.00 0.00 C ATOM 405 NZ LYS A 25 2.031 10.647 -0.435 1.00 0.00 N ATOM 0 H LYS A 25 4.417 15.890 -2.431 1.00 0.00 H new ATOM 0 HA LYS A 25 1.721 16.707 -2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.270 15.471 -0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.545 15.771 -0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.186 14.278 -2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.912 13.994 -2.480 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.914 13.063 -0.154 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.194 13.373 -0.021 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.638 11.701 -1.634 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.264 11.653 -2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.822 9.737 -0.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.042 10.690 -0.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 1.467 10.736 0.434 1.00 0.00 H new ATOM 419 N ASP A 26 3.575 18.652 -0.945 1.00 0.00 N ATOM 420 CA ASP A 26 3.608 19.851 -0.103 1.00 0.00 C ATOM 421 C ASP A 26 2.884 21.023 -0.768 1.00 0.00 C ATOM 422 O ASP A 26 2.181 21.780 -0.093 1.00 0.00 O ATOM 423 CB ASP A 26 5.059 20.243 0.194 1.00 0.00 C ATOM 424 CG ASP A 26 5.120 21.521 1.051 1.00 0.00 C ATOM 425 OD1 ASP A 26 4.818 21.449 2.267 1.00 0.00 O ATOM 426 OD2 ASP A 26 5.500 22.594 0.522 1.00 0.00 O ATOM 0 H ASP A 26 4.497 18.327 -1.237 1.00 0.00 H new ATOM 0 HA ASP A 26 3.092 19.618 0.829 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.561 19.427 0.715 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.595 20.402 -0.741 1.00 0.00 H new ATOM 431 N ALA A 27 3.020 21.139 -2.096 1.00 0.00 N ATOM 432 CA ALA A 27 2.406 22.172 -2.911 1.00 0.00 C ATOM 433 C ALA A 27 1.424 21.611 -3.954 1.00 0.00 C ATOM 434 O ALA A 27 0.765 22.395 -4.641 1.00 0.00 O ATOM 435 CB ALA A 27 3.521 22.982 -3.586 1.00 0.00 C ATOM 0 H ALA A 27 3.583 20.488 -2.643 1.00 0.00 H new ATOM 0 HA ALA A 27 1.809 22.812 -2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.080 23.764 -4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.154 23.436 -2.823 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.123 22.322 -4.211 1.00 0.00 H new ATOM 441 N MET A 28 1.320 20.279 -4.087 1.00 0.00 N ATOM 442 CA MET A 28 0.623 19.601 -5.177 1.00 0.00 C ATOM 443 C MET A 28 1.160 20.082 -6.537 1.00 0.00 C ATOM 444 O MET A 28 0.431 20.129 -7.532 1.00 0.00 O ATOM 445 CB MET A 28 -0.911 19.612 -5.025 1.00 0.00 C ATOM 446 CG MET A 28 -1.359 18.939 -3.721 1.00 0.00 C ATOM 447 SD MET A 28 -3.138 18.595 -3.606 1.00 0.00 S ATOM 448 CE MET A 28 -3.265 17.141 -4.690 1.00 0.00 C ATOM 0 H MET A 28 1.733 19.631 -3.416 1.00 0.00 H new ATOM 0 HA MET A 28 0.853 18.537 -5.124 1.00 0.00 H new ATOM 0 HB2 MET A 28 -1.271 20.641 -5.045 1.00 0.00 H new ATOM 0 HB3 MET A 28 -1.364 19.099 -5.873 1.00 0.00 H new ATOM 0 HG2 MET A 28 -0.815 18.001 -3.608 1.00 0.00 H new ATOM 0 HG3 MET A 28 -1.073 19.576 -2.884 1.00 0.00 H new ATOM 0 HE1 MET A 28 -4.136 17.244 -5.337 1.00 0.00 H new ATOM 0 HE2 MET A 28 -2.366 17.063 -5.301 1.00 0.00 H new ATOM 0 HE3 MET A 28 -3.369 16.242 -4.082 1.00 0.00 H new ATOM 458 N ASP A 29 2.448 20.446 -6.572 1.00 0.00 N ATOM 459 CA ASP A 29 3.166 20.743 -7.801 1.00 0.00 C ATOM 460 C ASP A 29 3.555 19.418 -8.437 1.00 0.00 C ATOM 461 O ASP A 29 3.810 18.444 -7.722 1.00 0.00 O ATOM 462 CB ASP A 29 4.418 21.581 -7.541 1.00 0.00 C ATOM 463 CG ASP A 29 5.077 21.936 -8.883 1.00 0.00 C ATOM 464 OD1 ASP A 29 4.598 22.890 -9.542 1.00 0.00 O ATOM 465 OD2 ASP A 29 6.043 21.247 -9.279 1.00 0.00 O ATOM 0 H ASP A 29 3.021 20.541 -5.733 1.00 0.00 H new ATOM 0 HA ASP A 29 2.524 21.326 -8.461 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.156 22.490 -7.000 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.117 21.027 -6.914 1.00 0.00 H new ATOM 470 N VAL A 30 3.606 19.359 -9.763 1.00 0.00 N ATOM 471 CA VAL A 30 4.012 18.160 -10.467 1.00 0.00 C ATOM 472 C VAL A 30 5.169 18.534 -11.389 1.00 0.00 C ATOM 473 O VAL A 30 5.029 19.366 -12.293 1.00 0.00 O ATOM 474 CB VAL A 30 2.802 17.517 -11.167 1.00 0.00 C ATOM 475 CG1 VAL A 30 3.215 16.238 -11.898 1.00 0.00 C ATOM 476 CG2 VAL A 30 1.660 17.181 -10.197 1.00 0.00 C ATOM 0 H VAL A 30 3.367 20.141 -10.373 1.00 0.00 H new ATOM 0 HA VAL A 30 4.376 17.387 -9.790 1.00 0.00 H new ATOM 0 HB VAL A 30 2.438 18.260 -11.877 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.344 15.800 -12.386 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.970 16.475 -12.648 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.626 15.526 -11.182 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.835 16.730 -10.749 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.018 16.480 -9.442 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.316 18.094 -9.710 1.00 0.00 H new ATOM 486 N TRP A 31 6.310 17.893 -11.154 1.00 0.00 N ATOM 487 CA TRP A 31 7.493 17.965 -11.972 1.00 0.00 C ATOM 488 C TRP A 31 7.353 16.933 -13.094 1.00 0.00 C ATOM 489 O TRP A 31 7.124 15.756 -12.807 1.00 0.00 O ATOM 490 CB TRP A 31 8.727 17.639 -11.103 1.00 0.00 C ATOM 491 CG TRP A 31 8.765 18.159 -9.687 1.00 0.00 C ATOM 492 CD1 TRP A 31 8.439 17.462 -8.575 1.00 0.00 C ATOM 493 CD2 TRP A 31 9.202 19.458 -9.192 1.00 0.00 C ATOM 494 NE1 TRP A 31 8.665 18.223 -7.450 1.00 0.00 N ATOM 495 CE2 TRP A 31 9.159 19.463 -7.766 1.00 0.00 C ATOM 496 CE3 TRP A 31 9.653 20.634 -9.814 1.00 0.00 C ATOM 497 CZ2 TRP A 31 9.569 20.562 -6.996 1.00 0.00 C ATOM 498 CZ3 TRP A 31 10.087 21.741 -9.057 1.00 0.00 C ATOM 499 CH2 TRP A 31 10.047 21.708 -7.652 1.00 0.00 C ATOM 0 H TRP A 31 6.429 17.282 -10.346 1.00 0.00 H new ATOM 0 HA TRP A 31 7.614 18.962 -12.396 1.00 0.00 H new ATOM 0 HB2 TRP A 31 8.826 16.554 -11.061 1.00 0.00 H new ATOM 0 HB3 TRP A 31 9.607 18.020 -11.620 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.056 16.452 -8.570 1.00 0.00 H new ATOM 0 HE1 TRP A 31 8.487 17.904 -6.498 1.00 0.00 H new ATOM 0 HE3 TRP A 31 9.667 20.691 -10.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 9.518 20.527 -5.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 10.454 22.623 -9.561 1.00 0.00 H new ATOM 0 HH2 TRP A 31 10.382 22.560 -7.080 1.00 0.00 H new ATOM 510 N CYS A 32 7.504 17.336 -14.354 1.00 0.00 N ATOM 511 CA CYS A 32 7.632 16.431 -15.489 1.00 0.00 C ATOM 512 C CYS A 32 9.060 16.602 -16.001 1.00 0.00 C ATOM 513 O CYS A 32 9.466 17.720 -16.322 1.00 0.00 O ATOM 514 CB CYS A 32 6.572 16.746 -16.548 1.00 0.00 C ATOM 515 SG CYS A 32 6.723 15.614 -17.965 1.00 0.00 S ATOM 0 H CYS A 32 7.541 18.321 -14.617 1.00 0.00 H new ATOM 0 HA CYS A 32 7.460 15.390 -15.214 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.577 16.659 -16.111 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.683 17.776 -16.886 1.00 0.00 H new ATOM 0 HG CYS A 32 5.812 15.900 -18.848 1.00 0.00 H new ATOM 521 N ASN A 33 9.839 15.514 -16.026 1.00 0.00 N ATOM 522 CA ASN A 33 11.281 15.513 -16.324 1.00 0.00 C ATOM 523 C ASN A 33 12.028 16.619 -15.549 1.00 0.00 C ATOM 524 O ASN A 33 12.917 17.285 -16.082 1.00 0.00 O ATOM 525 CB ASN A 33 11.540 15.518 -17.850 1.00 0.00 C ATOM 526 CG ASN A 33 11.232 14.188 -18.533 1.00 0.00 C ATOM 527 OD1 ASN A 33 10.842 13.211 -17.902 1.00 0.00 O ATOM 528 ND2 ASN A 33 11.407 14.108 -19.842 1.00 0.00 N ATOM 0 H ASN A 33 9.475 14.581 -15.834 1.00 0.00 H new ATOM 0 HA ASN A 33 11.706 14.578 -15.959 1.00 0.00 H new ATOM 0 HB2 ASN A 33 10.935 16.300 -18.309 1.00 0.00 H new ATOM 0 HB3 ASN A 33 12.584 15.775 -18.031 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.218 13.232 -20.329 1.00 0.00 H new ATOM 0 HD22 ASN A 33 11.731 14.922 -20.364 1.00 0.00 H new ATOM 535 N GLY A 34 11.639 16.844 -14.288 1.00 0.00 N ATOM 536 CA GLY A 34 12.268 17.820 -13.395 1.00 0.00 C ATOM 537 C GLY A 34 11.844 19.276 -13.628 1.00 0.00 C ATOM 538 O GLY A 34 12.243 20.143 -12.847 1.00 0.00 O ATOM 0 H GLY A 34 10.864 16.343 -13.854 1.00 0.00 H new ATOM 0 HA2 GLY A 34 12.037 17.550 -12.365 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.350 17.749 -13.508 1.00 0.00 H new ATOM 542 N LYS A 35 11.032 19.576 -14.651 1.00 0.00 N ATOM 543 CA LYS A 35 10.495 20.917 -14.905 1.00 0.00 C ATOM 544 C LYS A 35 9.079 20.988 -14.346 1.00 0.00 C ATOM 545 O LYS A 35 8.334 20.015 -14.457 1.00 0.00 O ATOM 546 CB LYS A 35 10.510 21.226 -16.418 1.00 0.00 C ATOM 547 CG LYS A 35 11.889 21.114 -17.095 1.00 0.00 C ATOM 548 CD LYS A 35 12.949 22.051 -16.499 1.00 0.00 C ATOM 549 CE LYS A 35 14.257 21.944 -17.302 1.00 0.00 C ATOM 550 NZ LYS A 35 15.315 22.857 -16.790 1.00 0.00 N ATOM 0 H LYS A 35 10.726 18.883 -15.334 1.00 0.00 H new ATOM 0 HA LYS A 35 11.115 21.665 -14.412 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.821 20.546 -16.919 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.129 22.236 -16.570 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.240 20.085 -17.015 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.781 21.332 -18.157 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.587 23.079 -16.513 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.131 21.791 -15.456 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.619 20.917 -17.266 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.057 22.175 -18.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.175 22.747 -17.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.983 23.841 -16.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 15.527 22.622 -15.799 1.00 0.00 H new ATOM 564 N LYS A 36 8.678 22.109 -13.746 1.00 0.00 N ATOM 565 CA LYS A 36 7.307 22.258 -13.257 1.00 0.00 C ATOM 566 C LYS A 36 6.369 22.344 -14.460 1.00 0.00 C ATOM 567 O LYS A 36 6.733 22.965 -15.465 1.00 0.00 O ATOM 568 CB LYS A 36 7.164 23.530 -12.403 1.00 0.00 C ATOM 569 CG LYS A 36 8.122 23.593 -11.200 1.00 0.00 C ATOM 570 CD LYS A 36 8.605 25.016 -10.912 1.00 0.00 C ATOM 571 CE LYS A 36 7.451 25.968 -10.547 1.00 0.00 C ATOM 572 NZ LYS A 36 7.936 27.331 -10.208 1.00 0.00 N ATOM 0 H LYS A 36 9.276 22.920 -13.588 1.00 0.00 H new ATOM 0 HA LYS A 36 7.054 21.400 -12.634 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.336 24.400 -13.036 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.138 23.597 -12.040 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.619 23.198 -10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.983 22.952 -11.391 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.325 24.993 -10.094 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.128 25.403 -11.787 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.754 26.029 -11.383 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.899 25.559 -9.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.126 27.938 -9.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.581 27.277 -9.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.441 27.733 -11.024 1.00 0.00 H new ATOM 586 N LEU A 37 5.168 21.774 -14.356 1.00 0.00 N ATOM 587 CA LEU A 37 4.090 21.965 -15.319 1.00 0.00 C ATOM 588 C LEU A 37 2.853 22.527 -14.621 1.00 0.00 C ATOM 589 O LEU A 37 2.770 22.551 -13.390 1.00 0.00 O ATOM 590 CB LEU A 37 3.832 20.730 -16.195 1.00 0.00 C ATOM 591 CG LEU A 37 3.532 19.419 -15.469 1.00 0.00 C ATOM 592 CD1 LEU A 37 2.240 19.402 -14.653 1.00 0.00 C ATOM 593 CD2 LEU A 37 3.460 18.291 -16.504 1.00 0.00 C ATOM 0 H LEU A 37 4.915 21.156 -13.585 1.00 0.00 H new ATOM 0 HA LEU A 37 4.406 22.716 -16.043 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.994 20.952 -16.856 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.705 20.575 -16.829 1.00 0.00 H new ATOM 0 HG LEU A 37 4.342 19.290 -14.751 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.122 18.428 -14.179 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.284 20.176 -13.886 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.392 19.591 -15.311 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.246 17.348 -16.000 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.669 18.506 -17.222 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.414 18.215 -17.027 1.00 0.00 H new ATOM 605 N GLU A 38 1.920 23.037 -15.424 1.00 0.00 N ATOM 606 CA GLU A 38 0.706 23.685 -14.956 1.00 0.00 C ATOM 607 C GLU A 38 -0.282 22.642 -14.431 1.00 0.00 C ATOM 608 O GLU A 38 -0.374 21.541 -14.971 1.00 0.00 O ATOM 609 CB GLU A 38 0.097 24.559 -16.065 1.00 0.00 C ATOM 610 CG GLU A 38 -0.364 23.765 -17.302 1.00 0.00 C ATOM 611 CD GLU A 38 -0.822 24.709 -18.428 1.00 0.00 C ATOM 612 OE1 GLU A 38 -2.014 25.100 -18.454 1.00 0.00 O ATOM 613 OE2 GLU A 38 0.005 25.057 -19.308 1.00 0.00 O ATOM 0 H GLU A 38 1.994 23.008 -16.441 1.00 0.00 H new ATOM 0 HA GLU A 38 0.951 24.348 -14.126 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.754 25.105 -15.658 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.833 25.301 -16.375 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.452 23.137 -17.659 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.182 23.099 -17.026 1.00 0.00 H new ATOM 620 N THR A 39 -1.049 23.006 -13.408 1.00 0.00 N ATOM 621 CA THR A 39 -2.030 22.141 -12.757 1.00 0.00 C ATOM 622 C THR A 39 -3.296 22.944 -12.430 1.00 0.00 C ATOM 623 O THR A 39 -3.231 24.147 -12.159 1.00 0.00 O ATOM 624 CB THR A 39 -1.428 21.478 -11.499 1.00 0.00 C ATOM 625 OG1 THR A 39 -0.519 22.322 -10.800 1.00 0.00 O ATOM 626 CG2 THR A 39 -0.684 20.186 -11.858 1.00 0.00 C ATOM 0 H THR A 39 -1.005 23.938 -12.996 1.00 0.00 H new ATOM 0 HA THR A 39 -2.307 21.337 -13.439 1.00 0.00 H new ATOM 0 HB THR A 39 -2.280 21.270 -10.852 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.173 21.850 -10.014 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.271 19.741 -10.953 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.376 19.485 -12.324 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.125 20.413 -12.553 1.00 0.00 H new ATOM 634 N ALA A 40 -4.441 22.260 -12.431 1.00 0.00 N ATOM 635 CA ALA A 40 -5.725 22.758 -11.948 1.00 0.00 C ATOM 636 C ALA A 40 -6.286 21.667 -11.044 1.00 0.00 C ATOM 637 O ALA A 40 -6.116 20.492 -11.364 1.00 0.00 O ATOM 638 CB ALA A 40 -6.660 23.061 -13.125 1.00 0.00 C ATOM 0 H ALA A 40 -4.499 21.305 -12.783 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.618 23.693 -11.398 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.613 23.431 -12.747 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.205 23.817 -13.766 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.827 22.151 -13.701 1.00 0.00 H new ATOM 644 N GLY A 41 -6.920 22.021 -9.929 1.00 0.00 N ATOM 645 CA GLY A 41 -7.377 21.071 -8.927 1.00 0.00 C ATOM 646 C GLY A 41 -8.884 21.178 -8.859 1.00 0.00 C ATOM 647 O GLY A 41 -9.404 22.169 -8.337 1.00 0.00 O ATOM 0 H GLY A 41 -7.132 22.991 -9.696 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.075 20.058 -9.193 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.932 21.292 -7.957 1.00 0.00 H new ATOM 651 N GLU A 42 -9.580 20.185 -9.403 1.00 0.00 N ATOM 652 CA GLU A 42 -11.015 20.050 -9.246 1.00 0.00 C ATOM 653 C GLU A 42 -11.296 19.121 -8.072 1.00 0.00 C ATOM 654 O GLU A 42 -10.499 18.233 -7.766 1.00 0.00 O ATOM 655 CB GLU A 42 -11.679 19.554 -10.542 1.00 0.00 C ATOM 656 CG GLU A 42 -12.014 20.754 -11.432 1.00 0.00 C ATOM 657 CD GLU A 42 -12.754 20.351 -12.721 1.00 0.00 C ATOM 658 OE1 GLU A 42 -13.932 19.922 -12.644 1.00 0.00 O ATOM 659 OE2 GLU A 42 -12.189 20.520 -13.829 1.00 0.00 O ATOM 0 H GLU A 42 -9.157 19.449 -9.968 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.450 21.027 -9.036 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.011 18.872 -11.068 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -12.586 18.996 -10.309 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.629 21.457 -10.870 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.093 21.275 -11.695 1.00 0.00 H new ATOM 666 N PHE A 43 -12.437 19.317 -7.415 1.00 0.00 N ATOM 667 CA PHE A 43 -12.845 18.533 -6.257 1.00 0.00 C ATOM 668 C PHE A 43 -14.204 17.904 -6.536 1.00 0.00 C ATOM 669 O PHE A 43 -15.093 18.557 -7.092 1.00 0.00 O ATOM 670 CB PHE A 43 -12.878 19.414 -5.004 1.00 0.00 C ATOM 671 CG PHE A 43 -13.146 18.643 -3.723 1.00 0.00 C ATOM 672 CD1 PHE A 43 -12.112 17.899 -3.122 1.00 0.00 C ATOM 673 CD2 PHE A 43 -14.427 18.658 -3.135 1.00 0.00 C ATOM 674 CE1 PHE A 43 -12.355 17.176 -1.940 1.00 0.00 C ATOM 675 CE2 PHE A 43 -14.670 17.935 -1.952 1.00 0.00 C ATOM 676 CZ PHE A 43 -13.634 17.194 -1.354 1.00 0.00 C ATOM 0 H PHE A 43 -13.112 20.035 -7.678 1.00 0.00 H new ATOM 0 HA PHE A 43 -12.124 17.736 -6.075 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.925 19.935 -4.912 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -13.647 20.176 -5.127 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -11.129 17.884 -3.570 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -15.224 19.225 -3.593 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -11.559 16.607 -1.482 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -15.652 17.949 -1.503 1.00 0.00 H new ATOM 0 HZ PHE A 43 -13.820 16.640 -0.446 1.00 0.00 H new ATOM 686 N VAL A 44 -14.364 16.649 -6.130 1.00 0.00 N ATOM 687 CA VAL A 44 -15.583 15.876 -6.252 1.00 0.00 C ATOM 688 C VAL A 44 -15.926 15.212 -4.918 1.00 0.00 C ATOM 689 O VAL A 44 -15.092 15.123 -4.015 1.00 0.00 O ATOM 690 CB VAL A 44 -15.433 14.835 -7.382 1.00 0.00 C ATOM 691 CG1 VAL A 44 -15.818 15.461 -8.722 1.00 0.00 C ATOM 692 CG2 VAL A 44 -14.057 14.155 -7.454 1.00 0.00 C ATOM 0 H VAL A 44 -13.610 16.124 -5.687 1.00 0.00 H new ATOM 0 HA VAL A 44 -16.408 16.540 -6.511 1.00 0.00 H new ATOM 0 HB VAL A 44 -16.122 14.026 -7.140 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -15.709 14.720 -9.514 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -16.853 15.800 -8.681 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -15.166 16.310 -8.928 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.047 13.441 -8.277 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -13.287 14.909 -7.618 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -13.860 13.632 -6.518 1.00 0.00 H new ATOM 702 N ASP A 45 -17.149 14.686 -4.825 1.00 0.00 N ATOM 703 CA ASP A 45 -17.650 13.933 -3.672 1.00 0.00 C ATOM 704 C ASP A 45 -17.081 12.499 -3.673 1.00 0.00 C ATOM 705 O ASP A 45 -17.799 11.497 -3.626 1.00 0.00 O ATOM 706 CB ASP A 45 -19.183 13.984 -3.621 1.00 0.00 C ATOM 707 CG ASP A 45 -19.741 13.305 -2.355 1.00 0.00 C ATOM 708 OD1 ASP A 45 -19.176 13.498 -1.251 1.00 0.00 O ATOM 709 OD2 ASP A 45 -20.788 12.618 -2.449 1.00 0.00 O ATOM 0 H ASP A 45 -17.839 14.774 -5.571 1.00 0.00 H new ATOM 0 HA ASP A 45 -17.298 14.400 -2.752 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -19.512 15.023 -3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -19.592 13.495 -4.505 1.00 0.00 H new ATOM 714 N ASP A 46 -15.763 12.417 -3.839 1.00 0.00 N ATOM 715 CA ASP A 46 -14.961 11.212 -4.007 1.00 0.00 C ATOM 716 C ASP A 46 -13.496 11.497 -3.651 1.00 0.00 C ATOM 717 O ASP A 46 -12.820 10.649 -3.065 1.00 0.00 O ATOM 718 CB ASP A 46 -15.040 10.754 -5.469 1.00 0.00 C ATOM 719 CG ASP A 46 -14.071 9.594 -5.749 1.00 0.00 C ATOM 720 OD1 ASP A 46 -14.375 8.444 -5.351 1.00 0.00 O ATOM 721 OD2 ASP A 46 -13.036 9.827 -6.419 1.00 0.00 O ATOM 0 H ASP A 46 -15.185 13.257 -3.861 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.345 10.434 -3.347 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -16.059 10.442 -5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -14.807 11.591 -6.127 1.00 0.00 H new ATOM 726 N GLY A 47 -13.005 12.705 -3.952 1.00 0.00 N ATOM 727 CA GLY A 47 -11.618 13.081 -3.769 1.00 0.00 C ATOM 728 C GLY A 47 -11.304 14.315 -4.607 1.00 0.00 C ATOM 729 O GLY A 47 -12.198 15.094 -4.944 1.00 0.00 O ATOM 0 H GLY A 47 -13.580 13.455 -4.336 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.423 13.285 -2.716 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.967 12.257 -4.060 1.00 0.00 H new ATOM 733 N THR A 48 -10.042 14.464 -4.995 1.00 0.00 N ATOM 734 CA THR A 48 -9.561 15.583 -5.790 1.00 0.00 C ATOM 735 C THR A 48 -9.024 15.023 -7.107 1.00 0.00 C ATOM 736 O THR A 48 -8.532 13.893 -7.157 1.00 0.00 O ATOM 737 CB THR A 48 -8.498 16.393 -5.017 1.00 0.00 C ATOM 738 OG1 THR A 48 -8.776 16.443 -3.621 1.00 0.00 O ATOM 739 CG2 THR A 48 -8.373 17.843 -5.498 1.00 0.00 C ATOM 0 H THR A 48 -9.310 13.794 -4.759 1.00 0.00 H new ATOM 0 HA THR A 48 -10.371 16.281 -6.002 1.00 0.00 H new ATOM 0 HB THR A 48 -7.566 15.862 -5.210 1.00 0.00 H new ATOM 0 HG1 THR A 48 -8.080 16.963 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 48 -7.609 18.356 -4.913 1.00 0.00 H new ATOM 0 HG22 THR A 48 -8.092 17.854 -6.551 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.329 18.352 -5.372 1.00 0.00 H new ATOM 747 N GLU A 49 -9.096 15.819 -8.164 1.00 0.00 N ATOM 748 CA GLU A 49 -8.549 15.531 -9.474 1.00 0.00 C ATOM 749 C GLU A 49 -7.648 16.708 -9.854 1.00 0.00 C ATOM 750 O GLU A 49 -8.136 17.800 -10.144 1.00 0.00 O ATOM 751 CB GLU A 49 -9.675 15.290 -10.494 1.00 0.00 C ATOM 752 CG GLU A 49 -10.499 14.031 -10.190 1.00 0.00 C ATOM 753 CD GLU A 49 -11.678 13.880 -11.171 1.00 0.00 C ATOM 754 OE1 GLU A 49 -12.686 14.617 -11.036 1.00 0.00 O ATOM 755 OE2 GLU A 49 -11.635 12.986 -12.052 1.00 0.00 O ATOM 0 H GLU A 49 -9.561 16.726 -8.125 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.960 14.614 -9.466 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.337 16.156 -10.508 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.243 15.203 -11.491 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.858 13.151 -10.251 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.877 14.080 -9.169 1.00 0.00 H new ATOM 762 N THR A 50 -6.328 16.509 -9.820 1.00 0.00 N ATOM 763 CA THR A 50 -5.363 17.513 -10.258 1.00 0.00 C ATOM 764 C THR A 50 -5.075 17.249 -11.732 1.00 0.00 C ATOM 765 O THR A 50 -4.346 16.309 -12.039 1.00 0.00 O ATOM 766 CB THR A 50 -4.112 17.476 -9.365 1.00 0.00 C ATOM 767 OG1 THR A 50 -4.451 17.885 -8.050 1.00 0.00 O ATOM 768 CG2 THR A 50 -2.986 18.376 -9.889 1.00 0.00 C ATOM 0 H THR A 50 -5.901 15.645 -9.487 1.00 0.00 H new ATOM 0 HA THR A 50 -5.754 18.526 -10.160 1.00 0.00 H new ATOM 0 HB THR A 50 -3.748 16.449 -9.370 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.676 18.313 -7.630 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.128 18.311 -9.220 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.694 18.050 -10.887 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.335 19.408 -9.932 1.00 0.00 H new ATOM 776 N HIS A 51 -5.654 18.036 -12.634 1.00 0.00 N ATOM 777 CA HIS A 51 -5.552 17.863 -14.078 1.00 0.00 C ATOM 778 C HIS A 51 -4.322 18.587 -14.622 1.00 0.00 C ATOM 779 O HIS A 51 -3.965 19.656 -14.117 1.00 0.00 O ATOM 780 CB HIS A 51 -6.819 18.400 -14.763 1.00 0.00 C ATOM 781 CG HIS A 51 -8.078 17.638 -14.436 1.00 0.00 C ATOM 782 ND1 HIS A 51 -8.609 16.595 -15.165 1.00 0.00 N ATOM 783 CD2 HIS A 51 -8.945 17.891 -13.404 1.00 0.00 C ATOM 784 CE1 HIS A 51 -9.758 16.221 -14.575 1.00 0.00 C ATOM 785 NE2 HIS A 51 -10.013 16.987 -13.499 1.00 0.00 N ATOM 0 H HIS A 51 -6.226 18.838 -12.370 1.00 0.00 H new ATOM 0 HA HIS A 51 -5.452 16.799 -14.291 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -6.956 19.443 -14.478 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -6.669 18.382 -15.842 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -8.826 18.654 -12.649 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -10.390 15.415 -14.918 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -10.820 16.923 -12.878 1.00 0.00 H new ATOM 793 N PHE A 52 -3.710 18.027 -15.669 1.00 0.00 N ATOM 794 CA PHE A 52 -2.660 18.640 -16.479 1.00 0.00 C ATOM 795 C PHE A 52 -2.633 17.951 -17.854 1.00 0.00 C ATOM 796 O PHE A 52 -3.416 17.037 -18.106 1.00 0.00 O ATOM 797 CB PHE A 52 -1.301 18.577 -15.758 1.00 0.00 C ATOM 798 CG PHE A 52 -0.803 17.215 -15.316 1.00 0.00 C ATOM 799 CD1 PHE A 52 -1.198 16.714 -14.061 1.00 0.00 C ATOM 800 CD2 PHE A 52 0.128 16.498 -16.095 1.00 0.00 C ATOM 801 CE1 PHE A 52 -0.654 15.516 -13.576 1.00 0.00 C ATOM 802 CE2 PHE A 52 0.670 15.294 -15.601 1.00 0.00 C ATOM 803 CZ PHE A 52 0.287 14.810 -14.340 1.00 0.00 C ATOM 0 H PHE A 52 -3.947 17.088 -15.988 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.871 19.699 -16.629 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.550 19.011 -16.418 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.358 19.216 -14.877 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.923 17.254 -13.470 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.424 16.869 -17.065 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.960 15.136 -12.612 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.383 14.742 -16.195 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.716 13.895 -13.959 1.00 0.00 H new ATOM 813 N SER A 53 -1.736 18.365 -18.750 1.00 0.00 N ATOM 814 CA SER A 53 -1.548 17.757 -20.064 1.00 0.00 C ATOM 815 C SER A 53 -0.066 17.827 -20.436 1.00 0.00 C ATOM 816 O SER A 53 0.640 18.748 -20.011 1.00 0.00 O ATOM 817 CB SER A 53 -2.386 18.460 -21.145 1.00 0.00 C ATOM 818 OG SER A 53 -3.768 18.505 -20.806 1.00 0.00 O ATOM 0 H SER A 53 -1.107 19.149 -18.577 1.00 0.00 H new ATOM 0 HA SER A 53 -1.881 16.720 -20.012 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.015 19.475 -21.288 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.263 17.939 -22.094 1.00 0.00 H new ATOM 0 HG SER A 53 -4.265 18.961 -21.517 1.00 0.00 H new ATOM 824 N ILE A 54 0.396 16.863 -21.232 1.00 0.00 N ATOM 825 CA ILE A 54 1.757 16.743 -21.736 1.00 0.00 C ATOM 826 C ILE A 54 1.578 16.456 -23.225 1.00 0.00 C ATOM 827 O ILE A 54 1.061 15.401 -23.597 1.00 0.00 O ATOM 828 CB ILE A 54 2.495 15.621 -20.966 1.00 0.00 C ATOM 829 CG1 ILE A 54 2.713 16.021 -19.489 1.00 0.00 C ATOM 830 CG2 ILE A 54 3.857 15.282 -21.603 1.00 0.00 C ATOM 831 CD1 ILE A 54 2.851 14.813 -18.566 1.00 0.00 C ATOM 0 H ILE A 54 -0.204 16.106 -21.558 1.00 0.00 H new ATOM 0 HA ILE A 54 2.372 17.632 -21.595 1.00 0.00 H new ATOM 0 HB ILE A 54 1.860 14.736 -21.018 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.609 16.636 -19.412 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.876 16.634 -19.156 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.340 14.490 -21.030 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.705 14.947 -22.629 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.491 16.169 -21.601 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.002 15.153 -17.542 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.945 14.210 -18.618 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.705 14.212 -18.878 1.00 0.00 H new ATOM 843 N GLY A 55 1.943 17.413 -24.081 1.00 0.00 N ATOM 844 CA GLY A 55 1.620 17.341 -25.499 1.00 0.00 C ATOM 845 C GLY A 55 0.102 17.233 -25.661 1.00 0.00 C ATOM 846 O GLY A 55 -0.651 17.979 -25.029 1.00 0.00 O ATOM 0 H GLY A 55 2.464 18.247 -23.811 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.991 18.227 -26.015 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.109 16.479 -25.953 1.00 0.00 H new ATOM 850 N ASN A 56 -0.346 16.277 -26.478 1.00 0.00 N ATOM 851 CA ASN A 56 -1.769 16.019 -26.717 1.00 0.00 C ATOM 852 C ASN A 56 -2.411 15.172 -25.604 1.00 0.00 C ATOM 853 O ASN A 56 -3.631 15.006 -25.590 1.00 0.00 O ATOM 854 CB ASN A 56 -1.926 15.332 -28.084 1.00 0.00 C ATOM 855 CG ASN A 56 -3.392 15.216 -28.511 1.00 0.00 C ATOM 856 OD1 ASN A 56 -4.126 16.205 -28.538 1.00 0.00 O ATOM 857 ND2 ASN A 56 -3.850 14.028 -28.882 1.00 0.00 N ATOM 0 H ASN A 56 0.273 15.655 -26.997 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.294 16.974 -26.714 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.374 15.895 -28.837 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.482 14.337 -28.041 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.816 13.928 -29.193 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.236 13.214 -28.857 1.00 0.00 H new ATOM 864 N HIS A 57 -1.619 14.604 -24.689 1.00 0.00 N ATOM 865 CA HIS A 57 -2.094 13.636 -23.706 1.00 0.00 C ATOM 866 C HIS A 57 -2.556 14.403 -22.472 1.00 0.00 C ATOM 867 O HIS A 57 -1.749 15.101 -21.854 1.00 0.00 O ATOM 868 CB HIS A 57 -0.984 12.628 -23.359 1.00 0.00 C ATOM 869 CG HIS A 57 -0.328 12.000 -24.565 1.00 0.00 C ATOM 870 ND1 HIS A 57 -0.850 11.007 -25.364 1.00 0.00 N ATOM 871 CD2 HIS A 57 0.902 12.328 -25.076 1.00 0.00 C ATOM 872 CE1 HIS A 57 0.042 10.750 -26.337 1.00 0.00 C ATOM 873 NE2 HIS A 57 1.127 11.540 -26.213 1.00 0.00 N ATOM 0 H HIS A 57 -0.622 14.808 -24.613 1.00 0.00 H new ATOM 0 HA HIS A 57 -2.928 13.063 -24.111 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -0.222 13.132 -22.765 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -1.405 11.840 -22.735 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.580 13.066 -24.672 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.093 10.011 -27.113 1.00 0.00 H new ATOM 0 HE2 HIS A 57 1.945 11.560 -26.822 1.00 0.00 H new ATOM 881 N ASP A 58 -3.831 14.284 -22.095 1.00 0.00 N ATOM 882 CA ASP A 58 -4.309 14.820 -20.823 1.00 0.00 C ATOM 883 C ASP A 58 -4.100 13.790 -19.717 1.00 0.00 C ATOM 884 O ASP A 58 -4.157 12.572 -19.945 1.00 0.00 O ATOM 885 CB ASP A 58 -5.756 15.315 -20.872 1.00 0.00 C ATOM 886 CG ASP A 58 -6.770 14.203 -20.554 1.00 0.00 C ATOM 887 OD1 ASP A 58 -7.158 13.458 -21.487 1.00 0.00 O ATOM 888 OD2 ASP A 58 -7.209 14.099 -19.385 1.00 0.00 O ATOM 0 H ASP A 58 -4.549 13.821 -22.653 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.715 15.707 -20.603 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.882 16.131 -20.161 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.965 15.720 -21.862 1.00 0.00 H new ATOM 893 N CYS A 59 -3.833 14.297 -18.520 1.00 0.00 N ATOM 894 CA CYS A 59 -3.456 13.549 -17.341 1.00 0.00 C ATOM 895 C CYS A 59 -4.201 14.121 -16.141 1.00 0.00 C ATOM 896 O CYS A 59 -4.499 15.318 -16.113 1.00 0.00 O ATOM 897 CB CYS A 59 -1.954 13.703 -17.058 1.00 0.00 C ATOM 898 SG CYS A 59 -0.935 13.611 -18.559 1.00 0.00 S ATOM 0 H CYS A 59 -3.878 15.300 -18.342 1.00 0.00 H new ATOM 0 HA CYS A 59 -3.697 12.499 -17.506 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -1.779 14.659 -16.565 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -1.639 12.924 -16.364 1.00 0.00 H new ATOM 0 HG CYS A 59 0.146 12.933 -18.309 1.00 0.00 H new ATOM 904 N TYR A 60 -4.460 13.312 -15.120 1.00 0.00 N ATOM 905 CA TYR A 60 -4.935 13.833 -13.859 1.00 0.00 C ATOM 906 C TYR A 60 -4.455 12.949 -12.723 1.00 0.00 C ATOM 907 O TYR A 60 -4.438 11.729 -12.853 1.00 0.00 O ATOM 908 CB TYR A 60 -6.451 14.058 -13.861 1.00 0.00 C ATOM 909 CG TYR A 60 -7.357 12.841 -13.933 1.00 0.00 C ATOM 910 CD1 TYR A 60 -7.556 12.031 -12.800 1.00 0.00 C ATOM 911 CD2 TYR A 60 -8.069 12.573 -15.117 1.00 0.00 C ATOM 912 CE1 TYR A 60 -8.456 10.954 -12.851 1.00 0.00 C ATOM 913 CE2 TYR A 60 -9.022 11.537 -15.154 1.00 0.00 C ATOM 914 CZ TYR A 60 -9.223 10.722 -14.014 1.00 0.00 C ATOM 915 OH TYR A 60 -10.108 9.681 -14.039 1.00 0.00 O ATOM 0 H TYR A 60 -4.347 12.299 -15.147 1.00 0.00 H new ATOM 0 HA TYR A 60 -4.507 14.823 -13.703 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -6.707 14.611 -12.957 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -6.691 14.702 -14.707 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.015 12.238 -11.888 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.884 13.165 -16.001 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.562 10.301 -11.998 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.599 11.364 -16.051 1.00 0.00 H new ATOM 0 HH TYR A 60 -10.559 9.656 -14.909 1.00 0.00 H new ATOM 925 N ILE A 61 -4.062 13.542 -11.600 1.00 0.00 N ATOM 926 CA ILE A 61 -3.797 12.784 -10.389 1.00 0.00 C ATOM 927 C ILE A 61 -5.142 12.691 -9.687 1.00 0.00 C ATOM 928 O ILE A 61 -5.733 13.721 -9.357 1.00 0.00 O ATOM 929 CB ILE A 61 -2.687 13.430 -9.540 1.00 0.00 C ATOM 930 CG1 ILE A 61 -1.336 13.310 -10.276 1.00 0.00 C ATOM 931 CG2 ILE A 61 -2.584 12.791 -8.141 1.00 0.00 C ATOM 932 CD1 ILE A 61 -0.344 14.394 -9.853 1.00 0.00 C ATOM 0 H ILE A 61 -3.921 14.548 -11.507 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.405 11.788 -10.593 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.942 14.481 -9.401 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.904 12.329 -10.079 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.504 13.374 -11.351 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.788 13.277 -7.577 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.530 12.914 -7.614 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.360 11.729 -8.242 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.590 14.265 -10.399 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.762 15.376 -10.075 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.152 14.314 -8.783 1.00 0.00 H new ATOM 944 N LYS A 62 -5.625 11.470 -9.473 1.00 0.00 N ATOM 945 CA LYS A 62 -6.789 11.196 -8.654 1.00 0.00 C ATOM 946 C LYS A 62 -6.251 11.059 -7.241 1.00 0.00 C ATOM 947 O LYS A 62 -5.357 10.246 -7.016 1.00 0.00 O ATOM 948 CB LYS A 62 -7.480 9.918 -9.170 1.00 0.00 C ATOM 949 CG LYS A 62 -8.999 9.934 -8.957 1.00 0.00 C ATOM 950 CD LYS A 62 -9.640 8.676 -9.568 1.00 0.00 C ATOM 951 CE LYS A 62 -11.165 8.724 -9.371 1.00 0.00 C ATOM 952 NZ LYS A 62 -11.851 7.541 -9.960 1.00 0.00 N ATOM 0 H LYS A 62 -5.206 10.631 -9.874 1.00 0.00 H new ATOM 0 HA LYS A 62 -7.548 11.977 -8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.268 9.800 -10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.056 9.051 -8.663 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.223 9.983 -7.891 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.427 10.826 -9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -9.402 8.614 -10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -9.231 7.782 -9.097 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -11.389 8.778 -8.306 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -11.559 9.633 -9.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.876 7.619 -9.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -11.661 7.502 -10.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.496 6.674 -9.509 1.00 0.00 H new ATOM 966 N ALA A 63 -6.751 11.861 -6.312 1.00 0.00 N ATOM 967 CA ALA A 63 -6.380 11.835 -4.914 1.00 0.00 C ATOM 968 C ALA A 63 -7.659 11.493 -4.160 1.00 0.00 C ATOM 969 O ALA A 63 -8.480 12.371 -3.903 1.00 0.00 O ATOM 970 CB ALA A 63 -5.780 13.186 -4.527 1.00 0.00 C ATOM 0 H ALA A 63 -7.451 12.572 -6.524 1.00 0.00 H new ATOM 0 HA ALA A 63 -5.614 11.097 -4.676 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -5.499 13.171 -3.474 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.897 13.380 -5.136 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.516 13.972 -4.695 1.00 0.00 H new ATOM 976 N VAL A 64 -7.870 10.213 -3.890 1.00 0.00 N ATOM 977 CA VAL A 64 -9.124 9.676 -3.383 1.00 0.00 C ATOM 978 C VAL A 64 -9.092 9.699 -1.860 1.00 0.00 C ATOM 979 O VAL A 64 -8.188 9.102 -1.282 1.00 0.00 O ATOM 980 CB VAL A 64 -9.355 8.228 -3.891 1.00 0.00 C ATOM 981 CG1 VAL A 64 -10.856 7.932 -3.927 1.00 0.00 C ATOM 982 CG2 VAL A 64 -8.762 7.940 -5.282 1.00 0.00 C ATOM 0 H VAL A 64 -7.153 9.499 -4.021 1.00 0.00 H new ATOM 0 HA VAL A 64 -9.947 10.292 -3.746 1.00 0.00 H new ATOM 0 HB VAL A 64 -8.831 7.580 -3.188 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.018 6.915 -4.284 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.271 8.035 -2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.349 8.635 -4.598 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -8.969 6.906 -5.559 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.212 8.609 -6.015 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -7.684 8.100 -5.258 1.00 0.00 H new ATOM 992 N SER A 65 -10.067 10.308 -1.195 1.00 0.00 N ATOM 993 CA SER A 65 -10.141 10.398 0.263 1.00 0.00 C ATOM 994 C SER A 65 -10.681 9.098 0.893 1.00 0.00 C ATOM 995 O SER A 65 -11.576 9.131 1.745 1.00 0.00 O ATOM 996 CB SER A 65 -10.942 11.653 0.652 1.00 0.00 C ATOM 997 OG SER A 65 -10.486 12.783 -0.084 1.00 0.00 O ATOM 0 H SER A 65 -10.849 10.765 -1.664 1.00 0.00 H new ATOM 0 HA SER A 65 -9.137 10.507 0.674 1.00 0.00 H new ATOM 0 HB2 SER A 65 -12.002 11.489 0.459 1.00 0.00 H new ATOM 0 HB3 SER A 65 -10.838 11.841 1.721 1.00 0.00 H new ATOM 0 HG SER A 65 -11.006 13.573 0.173 1.00 0.00 H new ATOM 1111 N ILE A 73 -5.340 9.415 1.886 1.00 0.00 N ATOM 1112 CA ILE A 73 -5.701 9.831 0.541 1.00 0.00 C ATOM 1113 C ILE A 73 -4.868 8.960 -0.418 1.00 0.00 C ATOM 1114 O ILE A 73 -3.637 8.954 -0.338 1.00 0.00 O ATOM 1115 CB ILE A 73 -5.467 11.348 0.349 1.00 0.00 C ATOM 1116 CG1 ILE A 73 -6.480 12.261 1.086 1.00 0.00 C ATOM 1117 CG2 ILE A 73 -5.600 11.727 -1.136 1.00 0.00 C ATOM 1118 CD1 ILE A 73 -6.526 12.140 2.608 1.00 0.00 C ATOM 0 HA ILE A 73 -6.762 9.686 0.339 1.00 0.00 H new ATOM 0 HB ILE A 73 -4.470 11.511 0.758 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.253 13.297 0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.476 12.049 0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.433 12.798 -1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.861 11.177 -1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.600 11.475 -1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.272 12.828 3.005 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.791 11.119 2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.548 12.386 3.022 1.00 0.00 H new ATOM 1130 N ILE A 74 -5.521 8.250 -1.342 1.00 0.00 N ATOM 1131 CA ILE A 74 -4.867 7.373 -2.301 1.00 0.00 C ATOM 1132 C ILE A 74 -4.535 8.245 -3.503 1.00 0.00 C ATOM 1133 O ILE A 74 -5.454 8.750 -4.144 1.00 0.00 O ATOM 1134 CB ILE A 74 -5.788 6.178 -2.647 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -6.176 5.363 -1.392 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -5.159 5.268 -3.718 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -5.019 4.699 -0.630 1.00 0.00 C ATOM 0 H ILE A 74 -6.536 8.273 -1.441 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.953 6.926 -1.909 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.704 6.599 -3.061 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -6.705 6.023 -0.705 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.879 4.586 -1.692 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.835 4.440 -3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.986 5.843 -4.628 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.211 4.876 -3.351 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.413 4.157 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.500 4.005 -1.290 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.322 5.464 -0.288 1.00 0.00 H new ATOM 1149 N HIS A 75 -3.252 8.448 -3.800 1.00 0.00 N ATOM 1150 CA HIS A 75 -2.827 9.199 -4.973 1.00 0.00 C ATOM 1151 C HIS A 75 -2.552 8.212 -6.107 1.00 0.00 C ATOM 1152 O HIS A 75 -1.771 7.272 -5.934 1.00 0.00 O ATOM 1153 CB HIS A 75 -1.599 10.059 -4.649 1.00 0.00 C ATOM 1154 CG HIS A 75 -1.903 11.215 -3.729 1.00 0.00 C ATOM 1155 ND1 HIS A 75 -2.034 11.175 -2.356 1.00 0.00 N ATOM 1156 CD2 HIS A 75 -2.091 12.515 -4.111 1.00 0.00 C ATOM 1157 CE1 HIS A 75 -2.289 12.425 -1.932 1.00 0.00 C ATOM 1158 NE2 HIS A 75 -2.332 13.282 -2.966 1.00 0.00 N ATOM 0 H HIS A 75 -2.481 8.095 -3.233 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.614 9.885 -5.287 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -0.835 9.431 -4.191 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.179 10.444 -5.578 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -2.059 12.886 -5.125 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.439 12.703 -0.899 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -2.505 14.286 -2.925 1.00 0.00 H new ATOM 1166 N THR A 76 -3.159 8.454 -7.267 1.00 0.00 N ATOM 1167 CA THR A 76 -2.946 7.685 -8.486 1.00 0.00 C ATOM 1168 C THR A 76 -2.792 8.665 -9.636 1.00 0.00 C ATOM 1169 O THR A 76 -3.487 9.676 -9.647 1.00 0.00 O ATOM 1170 CB THR A 76 -4.138 6.746 -8.756 1.00 0.00 C ATOM 1171 OG1 THR A 76 -4.628 6.142 -7.567 1.00 0.00 O ATOM 1172 CG2 THR A 76 -3.735 5.638 -9.727 1.00 0.00 C ATOM 0 H THR A 76 -3.831 9.212 -7.386 1.00 0.00 H new ATOM 0 HA THR A 76 -2.053 7.069 -8.382 1.00 0.00 H new ATOM 0 HB THR A 76 -4.927 7.363 -9.185 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.383 5.557 -7.785 1.00 0.00 H new ATOM 0 HG21 THR A 76 -4.588 4.984 -9.907 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.412 6.080 -10.669 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.917 5.058 -9.299 1.00 0.00 H new ATOM 1180 N LEU A 77 -1.939 8.378 -10.618 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.901 9.149 -11.849 1.00 0.00 C ATOM 1182 C LEU A 77 -2.777 8.428 -12.858 1.00 0.00 C ATOM 1183 O LEU A 77 -2.637 7.222 -13.043 1.00 0.00 O ATOM 1184 CB LEU A 77 -0.457 9.311 -12.327 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.328 9.984 -13.701 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -0.790 11.441 -13.668 1.00 0.00 C ATOM 1187 CD2 LEU A 77 1.130 9.938 -14.149 1.00 0.00 C ATOM 0 H LEU A 77 -1.265 7.614 -10.580 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.284 10.159 -11.703 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.095 9.898 -11.593 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.014 8.329 -12.369 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.966 9.441 -14.399 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.682 11.879 -14.660 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.836 11.484 -13.364 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.182 11.999 -12.956 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.226 10.415 -15.124 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.750 10.466 -13.424 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.457 8.900 -14.219 1.00 0.00 H new ATOM 1199 N ILE A 78 -3.673 9.152 -13.505 1.00 0.00 N ATOM 1200 CA ILE A 78 -4.447 8.709 -14.638 1.00 0.00 C ATOM 1201 C ILE A 78 -3.914 9.500 -15.841 1.00 0.00 C ATOM 1202 O ILE A 78 -3.604 10.686 -15.710 1.00 0.00 O ATOM 1203 CB ILE A 78 -5.958 8.913 -14.365 1.00 0.00 C ATOM 1204 CG1 ILE A 78 -6.608 7.748 -13.583 1.00 0.00 C ATOM 1205 CG2 ILE A 78 -6.744 9.118 -15.664 1.00 0.00 C ATOM 1206 CD1 ILE A 78 -6.081 7.589 -12.161 1.00 0.00 C ATOM 0 H ILE A 78 -3.887 10.112 -13.236 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.345 7.642 -14.837 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.008 9.809 -13.747 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -7.686 7.905 -13.545 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.440 6.819 -14.128 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.800 9.258 -15.432 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.367 9.999 -16.182 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.626 8.243 -16.303 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -6.585 6.752 -11.678 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.008 7.399 -12.190 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.273 8.502 -11.598 1.00 0.00 H new ATOM 1218 N VAL A 79 -3.833 8.875 -17.014 1.00 0.00 N ATOM 1219 CA VAL A 79 -3.488 9.506 -18.280 1.00 0.00 C ATOM 1220 C VAL A 79 -4.387 8.909 -19.350 1.00 0.00 C ATOM 1221 O VAL A 79 -4.540 7.691 -19.395 1.00 0.00 O ATOM 1222 CB VAL A 79 -1.999 9.312 -18.602 1.00 0.00 C ATOM 1223 CG1 VAL A 79 -1.578 10.029 -19.893 1.00 0.00 C ATOM 1224 CG2 VAL A 79 -1.133 9.813 -17.443 1.00 0.00 C ATOM 0 H VAL A 79 -4.014 7.876 -17.109 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.648 10.583 -18.230 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.848 8.242 -18.748 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -0.517 9.859 -20.074 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.156 9.639 -20.731 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.762 11.099 -19.792 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.080 9.669 -17.686 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.325 10.873 -17.277 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.376 9.254 -16.539 1.00 0.00 H new ATOM 1234 N ASP A 80 -5.000 9.748 -20.189 1.00 0.00 N ATOM 1235 CA ASP A 80 -5.963 9.328 -21.216 1.00 0.00 C ATOM 1236 C ASP A 80 -7.047 8.395 -20.642 1.00 0.00 C ATOM 1237 O ASP A 80 -7.458 7.416 -21.264 1.00 0.00 O ATOM 1238 CB ASP A 80 -5.235 8.760 -22.447 1.00 0.00 C ATOM 1239 CG ASP A 80 -6.193 8.483 -23.622 1.00 0.00 C ATOM 1240 OD1 ASP A 80 -7.087 9.320 -23.900 1.00 0.00 O ATOM 1241 OD2 ASP A 80 -6.013 7.454 -24.318 1.00 0.00 O ATOM 0 H ASP A 80 -4.840 10.755 -20.175 1.00 0.00 H new ATOM 0 HA ASP A 80 -6.506 10.207 -21.563 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -4.466 9.463 -22.767 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.727 7.836 -22.171 1.00 0.00 H new ATOM 1246 N ASN A 81 -7.482 8.680 -19.406 1.00 0.00 N ATOM 1247 CA ASN A 81 -8.425 7.897 -18.594 1.00 0.00 C ATOM 1248 C ASN A 81 -7.958 6.472 -18.219 1.00 0.00 C ATOM 1249 O ASN A 81 -8.745 5.689 -17.682 1.00 0.00 O ATOM 1250 CB ASN A 81 -9.840 7.932 -19.205 1.00 0.00 C ATOM 1251 CG ASN A 81 -10.927 7.565 -18.193 1.00 0.00 C ATOM 1252 OD1 ASN A 81 -10.872 7.955 -17.028 1.00 0.00 O ATOM 1253 ND2 ASN A 81 -11.960 6.849 -18.615 1.00 0.00 N ATOM 0 H ASN A 81 -7.165 9.516 -18.916 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.460 8.399 -17.627 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -10.037 8.929 -19.599 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -9.885 7.242 -20.047 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.717 6.618 -17.972 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.998 6.530 -19.583 1.00 0.00 H new ATOM 1260 N ARG A 82 -6.692 6.110 -18.463 1.00 0.00 N ATOM 1261 CA ARG A 82 -6.066 4.876 -18.002 1.00 0.00 C ATOM 1262 C ARG A 82 -5.310 5.140 -16.715 1.00 0.00 C ATOM 1263 O ARG A 82 -4.817 6.242 -16.503 1.00 0.00 O ATOM 1264 CB ARG A 82 -5.112 4.320 -19.070 1.00 0.00 C ATOM 1265 CG ARG A 82 -5.871 3.598 -20.180 1.00 0.00 C ATOM 1266 CD ARG A 82 -6.613 4.506 -21.165 1.00 0.00 C ATOM 1267 NE ARG A 82 -7.193 3.745 -22.285 1.00 0.00 N ATOM 1268 CZ ARG A 82 -8.052 4.240 -23.189 1.00 0.00 C ATOM 1269 NH1 ARG A 82 -8.416 5.520 -23.141 1.00 0.00 N ATOM 1270 NH2 ARG A 82 -8.550 3.446 -24.133 1.00 0.00 N ATOM 0 H ARG A 82 -6.057 6.694 -19.007 1.00 0.00 H new ATOM 0 HA ARG A 82 -6.844 4.135 -17.819 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.529 5.136 -19.498 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.405 3.633 -18.605 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.166 2.983 -20.739 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.592 2.920 -19.723 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -7.405 5.040 -20.640 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.926 5.257 -21.554 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.921 2.767 -22.381 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -8.041 6.130 -22.414 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.069 5.891 -23.831 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.279 2.463 -24.168 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.203 3.820 -24.821 1.00 0.00 H new ATOM 1284 N GLU A 83 -5.200 4.125 -15.871 1.00 0.00 N ATOM 1285 CA GLU A 83 -4.567 4.209 -14.566 1.00 0.00 C ATOM 1286 C GLU A 83 -3.079 3.850 -14.674 1.00 0.00 C ATOM 1287 O GLU A 83 -2.725 2.874 -15.342 1.00 0.00 O ATOM 1288 CB GLU A 83 -5.355 3.329 -13.590 1.00 0.00 C ATOM 1289 CG GLU A 83 -4.686 3.210 -12.222 1.00 0.00 C ATOM 1290 CD GLU A 83 -5.572 2.427 -11.233 1.00 0.00 C ATOM 1291 OE1 GLU A 83 -6.550 3.005 -10.696 1.00 0.00 O ATOM 1292 OE2 GLU A 83 -5.296 1.228 -10.987 1.00 0.00 O ATOM 0 H GLU A 83 -5.559 3.194 -16.082 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.590 5.227 -14.176 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -6.356 3.741 -13.464 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.472 2.334 -14.019 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.724 2.709 -12.327 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.485 4.205 -11.825 1.00 0.00 H new ATOM 1299 N ILE A 84 -2.219 4.627 -14.004 1.00 0.00 N ATOM 1300 CA ILE A 84 -0.762 4.540 -14.046 1.00 0.00 C ATOM 1301 C ILE A 84 -0.284 4.272 -12.603 1.00 0.00 C ATOM 1302 O ILE A 84 -0.505 5.123 -11.734 1.00 0.00 O ATOM 1303 CB ILE A 84 -0.175 5.852 -14.641 1.00 0.00 C ATOM 1304 CG1 ILE A 84 -0.830 6.315 -15.958 1.00 0.00 C ATOM 1305 CG2 ILE A 84 1.348 5.763 -14.835 1.00 0.00 C ATOM 1306 CD1 ILE A 84 -0.766 5.327 -17.126 1.00 0.00 C ATOM 0 H ILE A 84 -2.543 5.372 -13.386 1.00 0.00 H new ATOM 0 HA ILE A 84 -0.417 3.731 -14.690 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.411 6.606 -13.891 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.877 6.543 -15.759 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.355 7.245 -16.269 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.717 6.700 -15.252 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.827 5.581 -13.873 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.581 4.945 -15.517 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.258 5.761 -17.997 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.276 5.114 -17.366 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.270 4.402 -16.848 1.00 0.00 H new ATOM 1318 N PRO A 85 0.346 3.118 -12.308 1.00 0.00 N ATOM 1319 CA PRO A 85 0.828 2.789 -10.967 1.00 0.00 C ATOM 1320 C PRO A 85 2.152 3.506 -10.659 1.00 0.00 C ATOM 1321 O PRO A 85 2.985 3.690 -11.551 1.00 0.00 O ATOM 1322 CB PRO A 85 0.979 1.265 -10.959 1.00 0.00 C ATOM 1323 CG PRO A 85 1.322 0.942 -12.414 1.00 0.00 C ATOM 1324 CD PRO A 85 0.538 1.987 -13.207 1.00 0.00 C ATOM 0 HA PRO A 85 0.139 3.121 -10.190 1.00 0.00 H new ATOM 0 HB2 PRO A 85 1.766 0.942 -10.278 1.00 0.00 H new ATOM 0 HB3 PRO A 85 0.061 0.771 -10.642 1.00 0.00 H new ATOM 0 HG2 PRO A 85 2.393 1.018 -12.600 1.00 0.00 H new ATOM 0 HG3 PRO A 85 1.023 -0.072 -12.681 1.00 0.00 H new ATOM 0 HD2 PRO A 85 1.084 2.288 -14.101 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -0.420 1.586 -13.539 1.00 0.00 H new ATOM 1332 N GLU A 86 2.349 3.925 -9.402 1.00 0.00 N ATOM 1333 CA GLU A 86 3.550 4.642 -8.980 1.00 0.00 C ATOM 1334 C GLU A 86 4.769 3.710 -8.934 1.00 0.00 C ATOM 1335 O GLU A 86 4.634 2.481 -8.894 1.00 0.00 O ATOM 1336 CB GLU A 86 3.326 5.402 -7.659 1.00 0.00 C ATOM 1337 CG GLU A 86 3.632 4.597 -6.387 1.00 0.00 C ATOM 1338 CD GLU A 86 3.533 5.476 -5.137 1.00 0.00 C ATOM 1339 OE1 GLU A 86 4.295 6.471 -5.043 1.00 0.00 O ATOM 1340 OE2 GLU A 86 2.711 5.187 -4.237 1.00 0.00 O ATOM 0 H GLU A 86 1.676 3.774 -8.651 1.00 0.00 H new ATOM 0 HA GLU A 86 3.768 5.401 -9.732 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.948 6.297 -7.663 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.289 5.734 -7.620 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.934 3.763 -6.305 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.632 4.170 -6.456 1.00 0.00 H new