USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 549 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 46 THR OG1 : rot 180:sc= 0.555 USER MOD Set 1.2: A 51 THR OG1 : rot -83:sc= 0.214 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.365 USER MOD Single : A 12 GLN : amide:sc= -0.702 X(o=-0.7,f=-0.7) USER MOD Single : A 15 HIS :FLIP no HE2:sc= -2.05 F(o=-3.2,f=-2) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl 159:sc= -0.0537 (180deg=-1.17) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= -1.2 (180deg=-1.53) USER MOD Single : A 21 THR OG1 : rot -16:sc= 0.281 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -2.19 X(o=-2.2,f=-2.4) USER MOD Single : A 27 TYR OH : rot 90:sc= -0.897 USER MOD Single : A 29 CYS SG : rot 37:sc= 0.0693 USER MOD Single : A 32 SER OG : rot 44:sc= 0.407 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 HIS : no HD1:sc= -5.6! C(o=-5.6!,f=-9.4!) USER MOD Single : A 40 THR OG1 : rot 18:sc= 0.729 USER MOD Single : A 42 THR OG1 : rot -140:sc= 0.0971 USER MOD Single : A 52 CYS SG : rot -130:sc= -3.03 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -116:sc= -1.19 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -7.79! C(o=-7.8!,f=-8.1!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -19.803 6.357 -4.784 1.00 0.00 N ATOM 67 CA LYS A 8 -19.166 6.153 -6.079 1.00 0.00 C ATOM 68 C LYS A 8 -17.659 5.972 -5.922 1.00 0.00 C ATOM 69 O LYS A 8 -17.016 6.680 -5.147 1.00 0.00 O ATOM 70 CB LYS A 8 -19.454 7.336 -7.005 1.00 0.00 C ATOM 71 CG LYS A 8 -20.820 7.272 -7.667 1.00 0.00 C ATOM 72 CD LYS A 8 -20.761 6.541 -8.997 1.00 0.00 C ATOM 73 CE LYS A 8 -22.104 6.577 -9.712 1.00 0.00 C ATOM 74 NZ LYS A 8 -22.345 7.890 -10.373 1.00 0.00 N ATOM 0 HA LYS A 8 -19.580 5.246 -6.520 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -19.380 8.261 -6.433 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.687 7.377 -7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -21.523 6.767 -7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -21.198 8.283 -7.823 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -19.998 6.995 -9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.463 5.506 -8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -22.140 5.783 -10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -22.902 6.379 -8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -23.270 7.875 -10.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -22.336 8.645 -9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.598 8.068 -11.074 1.00 0.00 H new ATOM 88 N THR A 9 -17.101 5.019 -6.663 1.00 0.00 N ATOM 89 CA THR A 9 -15.671 4.746 -6.606 1.00 0.00 C ATOM 90 C THR A 9 -14.864 5.922 -7.142 1.00 0.00 C ATOM 91 O THR A 9 -15.349 6.726 -7.939 1.00 0.00 O ATOM 92 CB THR A 9 -15.308 3.481 -7.407 1.00 0.00 C ATOM 93 OG1 THR A 9 -14.947 3.837 -8.746 1.00 0.00 O ATOM 94 CG2 THR A 9 -16.474 2.504 -7.433 1.00 0.00 C ATOM 0 H THR A 9 -17.619 4.424 -7.310 1.00 0.00 H new ATOM 0 HA THR A 9 -15.422 4.587 -5.557 1.00 0.00 H new ATOM 0 HB THR A 9 -14.461 2.998 -6.919 1.00 0.00 H new ATOM 0 HG1 THR A 9 -14.716 3.028 -9.249 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.194 1.619 -8.004 1.00 0.00 H new ATOM 0 HG22 THR A 9 -16.728 2.213 -6.414 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.337 2.979 -7.900 1.00 0.00 H new ATOM 102 N PRO A 10 -13.603 6.028 -6.698 1.00 0.00 N ATOM 103 CA PRO A 10 -12.702 7.104 -7.122 1.00 0.00 C ATOM 104 C PRO A 10 -12.280 6.965 -8.581 1.00 0.00 C ATOM 105 O PRO A 10 -11.910 7.946 -9.226 1.00 0.00 O ATOM 106 CB PRO A 10 -11.493 6.939 -6.198 1.00 0.00 C ATOM 107 CG PRO A 10 -11.510 5.502 -5.804 1.00 0.00 C ATOM 108 CD PRO A 10 -12.960 5.106 -5.747 1.00 0.00 C ATOM 0 HA PRO A 10 -13.176 8.083 -7.055 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.566 7.198 -6.709 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.569 7.589 -5.327 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.967 4.893 -6.527 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.027 5.356 -4.838 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.104 4.065 -6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -13.368 5.217 -4.742 1.00 0.00 H new ATOM 116 N ILE A 11 -12.338 5.741 -9.095 1.00 0.00 N ATOM 117 CA ILE A 11 -11.963 5.475 -10.478 1.00 0.00 C ATOM 118 C ILE A 11 -13.085 5.862 -11.436 1.00 0.00 C ATOM 119 O ILE A 11 -12.833 6.276 -12.567 1.00 0.00 O ATOM 120 CB ILE A 11 -11.611 3.991 -10.691 1.00 0.00 C ATOM 121 CG1 ILE A 11 -10.551 3.546 -9.681 1.00 0.00 C ATOM 122 CG2 ILE A 11 -11.125 3.760 -12.114 1.00 0.00 C ATOM 123 CD1 ILE A 11 -9.165 4.066 -9.992 1.00 0.00 C ATOM 0 H ILE A 11 -12.641 4.918 -8.574 1.00 0.00 H new ATOM 0 HA ILE A 11 -11.083 6.082 -10.688 1.00 0.00 H new ATOM 0 HB ILE A 11 -12.509 3.394 -10.534 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -10.843 3.885 -8.687 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -10.524 2.457 -9.651 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.880 2.706 -12.248 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -11.909 4.043 -12.817 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -10.237 4.365 -12.298 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -8.465 3.712 -9.235 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.853 3.706 -10.972 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -9.177 5.156 -9.993 1.00 0.00 H new ATOM 135 N GLN A 12 -14.324 5.725 -10.973 1.00 0.00 N ATOM 136 CA GLN A 12 -15.485 6.062 -11.789 1.00 0.00 C ATOM 137 C GLN A 12 -15.759 7.562 -11.753 1.00 0.00 C ATOM 138 O GLN A 12 -16.241 8.139 -12.727 1.00 0.00 O ATOM 139 CB GLN A 12 -16.716 5.295 -11.304 1.00 0.00 C ATOM 140 CG GLN A 12 -16.776 3.861 -11.807 1.00 0.00 C ATOM 141 CD GLN A 12 -16.333 3.730 -13.250 1.00 0.00 C ATOM 142 OE1 GLN A 12 -17.030 4.164 -14.168 1.00 0.00 O ATOM 143 NE2 GLN A 12 -15.167 3.130 -13.459 1.00 0.00 N ATOM 0 H GLN A 12 -14.549 5.384 -10.039 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.269 5.775 -12.818 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.725 5.290 -10.214 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -17.613 5.823 -11.627 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.145 3.233 -11.179 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.795 3.488 -11.709 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -14.622 2.785 -12.669 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.816 3.014 -14.410 1.00 0.00 H new ATOM 152 N VAL A 13 -15.449 8.188 -10.622 1.00 0.00 N ATOM 153 CA VAL A 13 -15.662 9.621 -10.458 1.00 0.00 C ATOM 154 C VAL A 13 -14.577 10.422 -11.169 1.00 0.00 C ATOM 155 O VAL A 13 -14.863 11.207 -12.075 1.00 0.00 O ATOM 156 CB VAL A 13 -15.686 10.019 -8.970 1.00 0.00 C ATOM 157 CG1 VAL A 13 -15.834 11.525 -8.822 1.00 0.00 C ATOM 158 CG2 VAL A 13 -16.806 9.290 -8.242 1.00 0.00 C ATOM 0 H VAL A 13 -15.049 7.725 -9.806 1.00 0.00 H new ATOM 0 HA VAL A 13 -16.630 9.850 -10.903 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.739 9.726 -8.518 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -15.849 11.787 -7.764 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.994 12.023 -9.307 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -16.765 11.847 -9.289 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -16.809 9.583 -7.192 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -17.763 9.550 -8.694 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -16.650 8.214 -8.318 1.00 0.00 H new ATOM 168 N LEU A 14 -13.332 10.219 -10.755 1.00 0.00 N ATOM 169 CA LEU A 14 -12.202 10.922 -11.353 1.00 0.00 C ATOM 170 C LEU A 14 -12.292 10.902 -12.875 1.00 0.00 C ATOM 171 O LEU A 14 -12.359 11.950 -13.518 1.00 0.00 O ATOM 172 CB LEU A 14 -10.885 10.290 -10.900 1.00 0.00 C ATOM 173 CG LEU A 14 -9.666 11.214 -10.889 1.00 0.00 C ATOM 174 CD1 LEU A 14 -8.382 10.404 -10.983 1.00 0.00 C ATOM 175 CD2 LEU A 14 -9.749 12.219 -12.028 1.00 0.00 C ATOM 0 H LEU A 14 -13.079 9.573 -10.007 1.00 0.00 H new ATOM 0 HA LEU A 14 -12.234 11.959 -11.019 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -11.023 9.892 -9.895 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -10.668 9.443 -11.551 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.658 11.762 -9.947 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.525 11.078 -10.974 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.318 9.724 -10.134 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.381 9.829 -11.909 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.874 12.868 -12.005 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.782 11.689 -12.980 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.651 12.821 -11.917 1.00 0.00 H new ATOM 187 N HIS A 15 -12.296 9.701 -13.447 1.00 0.00 N ATOM 188 CA HIS A 15 -12.381 9.544 -14.894 1.00 0.00 C ATOM 189 C HIS A 15 -13.588 10.292 -15.452 1.00 0.00 C ATOM 190 O HIS A 15 -13.440 11.265 -16.191 1.00 0.00 O ATOM 191 CB HIS A 15 -12.468 8.063 -15.263 1.00 0.00 C ATOM 192 CG HIS A 15 -12.355 7.804 -16.734 1.00 0.00 C ATOM 193 ND1 HIS A 15 -13.198 7.184 -17.592 1.00 0.00 N flip ATOM 194 CD2 HIS A 15 -11.268 8.200 -17.486 1.00 0.00 C flip ATOM 195 CE1 HIS A 15 -12.613 7.217 -18.834 1.00 0.00 C flip ATOM 196 NE2 HIS A 15 -11.450 7.836 -18.743 1.00 0.00 N flip ATOM 0 H HIS A 15 -12.241 8.823 -12.930 1.00 0.00 H new ATOM 0 HA HIS A 15 -11.478 9.968 -15.334 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -11.677 7.521 -14.745 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -13.416 7.663 -14.904 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -14.100 6.769 -17.359 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -10.404 8.725 -17.107 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -13.035 6.804 -19.738 1.00 0.00 H new ATOM 204 N GLU A 16 -14.782 9.829 -15.094 1.00 0.00 N ATOM 205 CA GLU A 16 -16.014 10.453 -15.561 1.00 0.00 C ATOM 206 C GLU A 16 -15.943 11.971 -15.417 1.00 0.00 C ATOM 207 O GLU A 16 -16.507 12.709 -16.225 1.00 0.00 O ATOM 208 CB GLU A 16 -17.214 9.912 -14.781 1.00 0.00 C ATOM 209 CG GLU A 16 -17.582 8.483 -15.146 1.00 0.00 C ATOM 210 CD GLU A 16 -16.385 7.670 -15.599 1.00 0.00 C ATOM 211 OE1 GLU A 16 -16.019 7.764 -16.789 1.00 0.00 O ATOM 212 OE2 GLU A 16 -15.815 6.939 -14.762 1.00 0.00 O ATOM 0 H GLU A 16 -14.922 9.025 -14.483 1.00 0.00 H new ATOM 0 HA GLU A 16 -16.137 10.210 -16.616 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -16.996 9.961 -13.714 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -18.074 10.557 -14.960 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.040 7.998 -14.284 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.329 8.496 -15.939 1.00 0.00 H new ATOM 219 N TYR A 17 -15.247 12.429 -14.382 1.00 0.00 N ATOM 220 CA TYR A 17 -15.104 13.858 -14.130 1.00 0.00 C ATOM 221 C TYR A 17 -14.201 14.508 -15.174 1.00 0.00 C ATOM 222 O TYR A 17 -14.606 15.441 -15.866 1.00 0.00 O ATOM 223 CB TYR A 17 -14.537 14.095 -12.729 1.00 0.00 C ATOM 224 CG TYR A 17 -13.883 15.448 -12.562 1.00 0.00 C ATOM 225 CD1 TYR A 17 -14.645 16.588 -12.342 1.00 0.00 C ATOM 226 CD2 TYR A 17 -12.501 15.586 -12.624 1.00 0.00 C ATOM 227 CE1 TYR A 17 -14.052 17.826 -12.190 1.00 0.00 C ATOM 228 CE2 TYR A 17 -11.899 16.820 -12.472 1.00 0.00 C ATOM 229 CZ TYR A 17 -12.679 17.937 -12.255 1.00 0.00 C ATOM 230 OH TYR A 17 -12.084 19.169 -12.102 1.00 0.00 O ATOM 0 H TYR A 17 -14.773 11.832 -13.704 1.00 0.00 H new ATOM 0 HA TYR A 17 -16.092 14.314 -14.197 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -15.341 13.997 -11.999 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -13.807 13.317 -12.505 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -15.720 16.505 -12.289 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.888 14.714 -12.794 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -14.660 18.702 -12.021 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.824 16.910 -12.523 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.111 19.074 -12.173 1.00 0.00 H new ATOM 240 N GLY A 18 -12.974 14.007 -15.280 1.00 0.00 N ATOM 241 CA GLY A 18 -12.032 14.550 -16.242 1.00 0.00 C ATOM 242 C GLY A 18 -12.688 14.896 -17.564 1.00 0.00 C ATOM 243 O GLY A 18 -12.274 15.835 -18.242 1.00 0.00 O ATOM 0 H GLY A 18 -12.615 13.235 -14.717 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.567 15.444 -15.826 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.235 13.826 -16.414 1.00 0.00 H new ATOM 247 N MET A 19 -13.712 14.134 -17.932 1.00 0.00 N ATOM 248 CA MET A 19 -14.426 14.365 -19.183 1.00 0.00 C ATOM 249 C MET A 19 -14.949 15.796 -19.253 1.00 0.00 C ATOM 250 O MET A 19 -14.798 16.474 -20.270 1.00 0.00 O ATOM 251 CB MET A 19 -15.586 13.378 -19.323 1.00 0.00 C ATOM 252 CG MET A 19 -15.139 11.948 -19.582 1.00 0.00 C ATOM 253 SD MET A 19 -16.524 10.827 -19.860 1.00 0.00 S ATOM 254 CE MET A 19 -15.781 9.256 -19.426 1.00 0.00 C ATOM 0 H MET A 19 -14.066 13.351 -17.382 1.00 0.00 H new ATOM 0 HA MET A 19 -13.727 14.211 -20.005 1.00 0.00 H new ATOM 0 HB2 MET A 19 -16.186 13.403 -18.413 1.00 0.00 H new ATOM 0 HB3 MET A 19 -16.231 13.702 -20.139 1.00 0.00 H new ATOM 0 HG2 MET A 19 -14.481 11.929 -20.451 1.00 0.00 H new ATOM 0 HG3 MET A 19 -14.555 11.594 -18.732 1.00 0.00 H new ATOM 0 HE1 MET A 19 -16.564 8.538 -19.184 1.00 0.00 H new ATOM 0 HE2 MET A 19 -15.196 8.885 -20.268 1.00 0.00 H new ATOM 0 HE3 MET A 19 -15.130 9.388 -18.562 1.00 0.00 H new ATOM 264 N LYS A 20 -15.566 16.250 -18.168 1.00 0.00 N ATOM 265 CA LYS A 20 -16.112 17.600 -18.105 1.00 0.00 C ATOM 266 C LYS A 20 -15.044 18.635 -18.445 1.00 0.00 C ATOM 267 O LYS A 20 -15.277 19.546 -19.240 1.00 0.00 O ATOM 268 CB LYS A 20 -16.682 17.878 -16.712 1.00 0.00 C ATOM 269 CG LYS A 20 -18.145 17.498 -16.567 1.00 0.00 C ATOM 270 CD LYS A 20 -18.304 16.068 -16.079 1.00 0.00 C ATOM 271 CE LYS A 20 -18.007 15.951 -14.592 1.00 0.00 C ATOM 272 NZ LYS A 20 -18.400 14.620 -14.051 1.00 0.00 N ATOM 0 H LYS A 20 -15.701 15.702 -17.319 1.00 0.00 H new ATOM 0 HA LYS A 20 -16.913 17.675 -18.840 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -16.098 17.329 -15.973 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -16.566 18.938 -16.486 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -18.631 18.178 -15.868 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.649 17.614 -17.527 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.320 15.726 -16.276 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.634 15.415 -16.638 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -16.943 16.113 -14.420 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -18.540 16.734 -14.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -17.975 14.488 -13.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -19.436 14.569 -13.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.064 13.872 -14.691 1.00 0.00 H new ATOM 286 N THR A 21 -13.870 18.488 -17.838 1.00 0.00 N ATOM 287 CA THR A 21 -12.766 19.409 -18.076 1.00 0.00 C ATOM 288 C THR A 21 -11.965 19.001 -19.307 1.00 0.00 C ATOM 289 O THR A 21 -10.762 19.248 -19.388 1.00 0.00 O ATOM 290 CB THR A 21 -11.820 19.478 -16.862 1.00 0.00 C ATOM 291 OG1 THR A 21 -11.179 18.213 -16.668 1.00 0.00 O ATOM 292 CG2 THR A 21 -12.582 19.864 -15.604 1.00 0.00 C ATOM 0 H THR A 21 -13.660 17.739 -17.178 1.00 0.00 H new ATOM 0 HA THR A 21 -13.206 20.393 -18.241 1.00 0.00 H new ATOM 0 HB THR A 21 -11.066 20.240 -17.060 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.658 17.523 -17.173 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.893 19.906 -14.760 1.00 0.00 H new ATOM 0 HG22 THR A 21 -13.045 20.841 -15.744 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.355 19.122 -15.405 1.00 0.00 H new ATOM 300 N LYS A 22 -12.640 18.375 -20.266 1.00 0.00 N ATOM 301 CA LYS A 22 -11.993 17.934 -21.495 1.00 0.00 C ATOM 302 C LYS A 22 -10.607 17.365 -21.206 1.00 0.00 C ATOM 303 O LYS A 22 -9.723 17.395 -22.062 1.00 0.00 O ATOM 304 CB LYS A 22 -11.882 19.097 -22.484 1.00 0.00 C ATOM 305 CG LYS A 22 -13.217 19.742 -22.815 1.00 0.00 C ATOM 306 CD LYS A 22 -14.097 18.813 -23.634 1.00 0.00 C ATOM 307 CE LYS A 22 -13.632 18.735 -25.081 1.00 0.00 C ATOM 308 NZ LYS A 22 -14.213 19.828 -25.909 1.00 0.00 N ATOM 0 H LYS A 22 -13.636 18.162 -20.215 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.605 17.148 -21.936 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -11.215 19.853 -22.070 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.423 18.738 -23.405 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -13.731 20.012 -21.892 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.049 20.666 -23.368 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.085 17.816 -23.193 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -15.128 19.164 -23.601 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.544 18.791 -25.117 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.915 17.770 -25.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.873 19.740 -26.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.251 19.759 -25.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.922 20.749 -25.522 1.00 0.00 H new ATOM 322 N ASN A 23 -10.426 16.846 -19.996 1.00 0.00 N ATOM 323 CA ASN A 23 -9.147 16.269 -19.596 1.00 0.00 C ATOM 324 C ASN A 23 -9.351 14.928 -18.897 1.00 0.00 C ATOM 325 O ASN A 23 -9.891 14.868 -17.793 1.00 0.00 O ATOM 326 CB ASN A 23 -8.398 17.231 -18.671 1.00 0.00 C ATOM 327 CG ASN A 23 -8.138 18.575 -19.323 1.00 0.00 C ATOM 328 OD1 ASN A 23 -7.814 18.650 -20.508 1.00 0.00 O ATOM 329 ND2 ASN A 23 -8.278 19.645 -18.548 1.00 0.00 N ATOM 0 H ASN A 23 -11.148 16.813 -19.276 1.00 0.00 H new ATOM 0 HA ASN A 23 -8.553 16.103 -20.495 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -8.977 17.378 -17.759 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.449 16.783 -18.377 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.115 20.576 -18.930 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -8.548 19.535 -17.571 1.00 0.00 H new ATOM 336 N ILE A 24 -8.913 13.856 -19.549 1.00 0.00 N ATOM 337 CA ILE A 24 -9.046 12.516 -18.989 1.00 0.00 C ATOM 338 C ILE A 24 -7.803 12.126 -18.197 1.00 0.00 C ATOM 339 O ILE A 24 -6.669 12.369 -18.613 1.00 0.00 O ATOM 340 CB ILE A 24 -9.289 11.468 -20.091 1.00 0.00 C ATOM 341 CG1 ILE A 24 -10.490 11.868 -20.950 1.00 0.00 C ATOM 342 CG2 ILE A 24 -9.505 10.093 -19.475 1.00 0.00 C ATOM 343 CD1 ILE A 24 -11.783 11.969 -20.171 1.00 0.00 C ATOM 0 H ILE A 24 -8.464 13.889 -20.464 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.908 12.536 -18.322 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.408 11.424 -20.731 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -10.284 12.828 -21.423 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.613 11.138 -21.750 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.676 9.363 -20.266 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.622 9.808 -18.902 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.372 10.122 -18.815 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.591 12.256 -20.843 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.012 11.004 -19.720 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -11.678 12.720 -19.388 1.00 0.00 H new ATOM 355 N PRO A 25 -8.017 11.505 -17.028 1.00 0.00 N ATOM 356 CA PRO A 25 -6.926 11.065 -16.154 1.00 0.00 C ATOM 357 C PRO A 25 -6.145 9.896 -16.744 1.00 0.00 C ATOM 358 O PRO A 25 -6.678 8.797 -16.900 1.00 0.00 O ATOM 359 CB PRO A 25 -7.648 10.635 -14.874 1.00 0.00 C ATOM 360 CG PRO A 25 -9.022 10.269 -15.320 1.00 0.00 C ATOM 361 CD PRO A 25 -9.341 11.183 -16.470 1.00 0.00 C ATOM 0 HA PRO A 25 -6.186 11.850 -15.999 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.147 9.790 -14.401 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.671 11.442 -14.142 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.067 9.224 -15.628 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -9.741 10.394 -14.511 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.979 10.695 -17.206 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.866 12.079 -16.138 1.00 0.00 H new ATOM 369 N VAL A 26 -4.880 10.139 -17.070 1.00 0.00 N ATOM 370 CA VAL A 26 -4.025 9.105 -17.642 1.00 0.00 C ATOM 371 C VAL A 26 -3.445 8.209 -16.555 1.00 0.00 C ATOM 372 O VAL A 26 -3.183 8.658 -15.439 1.00 0.00 O ATOM 373 CB VAL A 26 -2.871 9.719 -18.457 1.00 0.00 C ATOM 374 CG1 VAL A 26 -3.406 10.718 -19.472 1.00 0.00 C ATOM 375 CG2 VAL A 26 -1.857 10.375 -17.533 1.00 0.00 C ATOM 0 H VAL A 26 -4.424 11.043 -16.948 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.650 8.508 -18.305 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.368 8.920 -19.001 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.576 11.141 -20.038 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.090 10.213 -20.154 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.935 11.517 -18.952 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.049 10.804 -18.126 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.344 11.164 -16.960 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.450 9.629 -16.851 1.00 0.00 H new ATOM 385 N TYR A 27 -3.245 6.938 -16.887 1.00 0.00 N ATOM 386 CA TYR A 27 -2.696 5.977 -15.938 1.00 0.00 C ATOM 387 C TYR A 27 -1.577 5.159 -16.576 1.00 0.00 C ATOM 388 O TYR A 27 -1.782 4.494 -17.591 1.00 0.00 O ATOM 389 CB TYR A 27 -3.798 5.045 -15.430 1.00 0.00 C ATOM 390 CG TYR A 27 -4.895 5.761 -14.674 1.00 0.00 C ATOM 391 CD1 TYR A 27 -5.853 6.510 -15.345 1.00 0.00 C ATOM 392 CD2 TYR A 27 -4.974 5.686 -13.289 1.00 0.00 C ATOM 393 CE1 TYR A 27 -6.856 7.166 -14.659 1.00 0.00 C ATOM 394 CE2 TYR A 27 -5.975 6.337 -12.595 1.00 0.00 C ATOM 395 CZ TYR A 27 -6.913 7.076 -13.284 1.00 0.00 C ATOM 396 OH TYR A 27 -7.912 7.727 -12.596 1.00 0.00 O ATOM 0 H TYR A 27 -3.455 6.550 -17.806 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.281 6.532 -15.097 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.236 4.518 -16.278 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -3.354 4.290 -14.781 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -5.813 6.581 -16.422 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.240 5.109 -12.746 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.592 7.746 -15.196 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -6.023 6.268 -11.518 1.00 0.00 H new ATOM 0 HH TYR A 27 -8.687 7.134 -12.505 1.00 0.00 H new ATOM 406 N GLU A 28 -0.394 5.215 -15.972 1.00 0.00 N ATOM 407 CA GLU A 28 0.758 4.479 -16.481 1.00 0.00 C ATOM 408 C GLU A 28 1.527 3.817 -15.342 1.00 0.00 C ATOM 409 O GLU A 28 1.657 4.382 -14.256 1.00 0.00 O ATOM 410 CB GLU A 28 1.684 5.415 -17.260 1.00 0.00 C ATOM 411 CG GLU A 28 1.382 5.471 -18.748 1.00 0.00 C ATOM 412 CD GLU A 28 2.597 5.842 -19.577 1.00 0.00 C ATOM 413 OE1 GLU A 28 3.650 5.194 -19.407 1.00 0.00 O ATOM 414 OE2 GLU A 28 2.494 6.781 -20.394 1.00 0.00 O ATOM 0 H GLU A 28 -0.208 5.761 -15.131 1.00 0.00 H new ATOM 0 HA GLU A 28 0.393 3.700 -17.150 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.605 6.419 -16.844 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.715 5.092 -17.119 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.006 4.502 -19.075 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.589 6.197 -18.927 1.00 0.00 H new ATOM 421 N CYS A 29 2.033 2.615 -15.598 1.00 0.00 N ATOM 422 CA CYS A 29 2.788 1.874 -14.594 1.00 0.00 C ATOM 423 C CYS A 29 4.279 2.171 -14.707 1.00 0.00 C ATOM 424 O CYS A 29 4.916 1.828 -15.702 1.00 0.00 O ATOM 425 CB CYS A 29 2.541 0.372 -14.747 1.00 0.00 C ATOM 426 SG CYS A 29 2.932 -0.276 -16.389 1.00 0.00 S ATOM 0 H CYS A 29 1.934 2.133 -16.492 1.00 0.00 H new ATOM 0 HA CYS A 29 2.447 2.193 -13.609 1.00 0.00 H new ATOM 0 HB2 CYS A 29 3.137 -0.161 -14.006 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.495 0.162 -14.525 1.00 0.00 H new ATOM 0 HG CYS A 29 3.989 0.323 -16.851 1.00 0.00 H new ATOM 432 N GLU A 30 4.829 2.812 -13.680 1.00 0.00 N ATOM 433 CA GLU A 30 6.246 3.158 -13.666 1.00 0.00 C ATOM 434 C GLU A 30 7.089 1.975 -13.200 1.00 0.00 C ATOM 435 O GLU A 30 7.834 1.383 -13.981 1.00 0.00 O ATOM 436 CB GLU A 30 6.490 4.363 -12.756 1.00 0.00 C ATOM 437 CG GLU A 30 6.131 5.693 -13.398 1.00 0.00 C ATOM 438 CD GLU A 30 7.224 6.215 -14.310 1.00 0.00 C ATOM 439 OE1 GLU A 30 7.311 5.744 -15.463 1.00 0.00 O ATOM 440 OE2 GLU A 30 7.992 7.096 -13.869 1.00 0.00 O ATOM 0 H GLU A 30 4.315 3.102 -12.848 1.00 0.00 H new ATOM 0 HA GLU A 30 6.542 3.415 -14.683 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.908 4.241 -11.842 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.540 4.381 -12.465 1.00 0.00 H new ATOM 0 HG2 GLU A 30 5.210 5.579 -13.969 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.933 6.427 -12.617 1.00 0.00 H new ATOM 447 N ARG A 31 6.967 1.637 -11.920 1.00 0.00 N ATOM 448 CA ARG A 31 7.719 0.526 -11.348 1.00 0.00 C ATOM 449 C ARG A 31 6.844 -0.718 -11.227 1.00 0.00 C ATOM 450 O ARG A 31 5.743 -0.663 -10.679 1.00 0.00 O ATOM 451 CB ARG A 31 8.272 0.911 -9.975 1.00 0.00 C ATOM 452 CG ARG A 31 9.640 1.569 -10.031 1.00 0.00 C ATOM 453 CD ARG A 31 10.756 0.537 -10.024 1.00 0.00 C ATOM 454 NE ARG A 31 11.133 0.147 -8.668 1.00 0.00 N ATOM 455 CZ ARG A 31 12.195 -0.600 -8.386 1.00 0.00 C ATOM 456 NH1 ARG A 31 12.981 -1.036 -9.361 1.00 0.00 N ATOM 457 NH2 ARG A 31 12.472 -0.913 -7.127 1.00 0.00 N ATOM 0 H ARG A 31 6.355 2.116 -11.260 1.00 0.00 H new ATOM 0 HA ARG A 31 8.550 0.300 -12.016 1.00 0.00 H new ATOM 0 HB2 ARG A 31 7.572 1.590 -9.488 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.333 0.017 -9.354 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.714 2.180 -10.930 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.758 2.239 -9.179 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.437 -0.345 -10.579 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.627 0.941 -10.540 1.00 0.00 H new ATOM 0 HE ARG A 31 10.549 0.466 -7.895 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.771 -0.798 -10.330 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.796 -1.609 -9.142 1.00 0.00 H new ATOM 0 HH21 ARG A 31 11.869 -0.580 -6.374 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.288 -1.487 -6.912 1.00 0.00 H new ATOM 471 N SER A 32 7.342 -1.838 -11.741 1.00 0.00 N ATOM 472 CA SER A 32 6.604 -3.094 -11.694 1.00 0.00 C ATOM 473 C SER A 32 7.475 -4.216 -11.136 1.00 0.00 C ATOM 474 O SER A 32 8.291 -4.797 -11.852 1.00 0.00 O ATOM 475 CB SER A 32 6.103 -3.469 -13.091 1.00 0.00 C ATOM 476 OG SER A 32 7.161 -3.450 -14.034 1.00 0.00 O ATOM 0 H SER A 32 8.253 -1.901 -12.195 1.00 0.00 H new ATOM 0 HA SER A 32 5.748 -2.959 -11.033 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.652 -4.461 -13.065 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.323 -2.773 -13.400 1.00 0.00 H new ATOM 0 HG SER A 32 7.951 -3.883 -13.648 1.00 0.00 H new ATOM 482 N ASP A 33 7.295 -4.514 -9.854 1.00 0.00 N ATOM 483 CA ASP A 33 8.064 -5.566 -9.199 1.00 0.00 C ATOM 484 C ASP A 33 7.168 -6.746 -8.835 1.00 0.00 C ATOM 485 O ASP A 33 6.179 -6.590 -8.118 1.00 0.00 O ATOM 486 CB ASP A 33 8.747 -5.021 -7.944 1.00 0.00 C ATOM 487 CG ASP A 33 10.099 -4.403 -8.243 1.00 0.00 C ATOM 488 OD1 ASP A 33 10.781 -4.887 -9.171 1.00 0.00 O ATOM 489 OD2 ASP A 33 10.474 -3.435 -7.549 1.00 0.00 O ATOM 0 H ASP A 33 6.624 -4.042 -9.248 1.00 0.00 H new ATOM 0 HA ASP A 33 8.827 -5.913 -9.896 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.104 -4.274 -7.479 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.871 -5.828 -7.222 1.00 0.00 H new ATOM 494 N VAL A 34 7.521 -7.926 -9.334 1.00 0.00 N ATOM 495 CA VAL A 34 6.749 -9.133 -9.061 1.00 0.00 C ATOM 496 C VAL A 34 7.535 -10.101 -8.183 1.00 0.00 C ATOM 497 O VAL A 34 8.372 -10.859 -8.674 1.00 0.00 O ATOM 498 CB VAL A 34 6.347 -9.849 -10.364 1.00 0.00 C ATOM 499 CG1 VAL A 34 5.241 -9.084 -11.074 1.00 0.00 C ATOM 500 CG2 VAL A 34 7.556 -10.021 -11.272 1.00 0.00 C ATOM 0 H VAL A 34 8.336 -8.072 -9.929 1.00 0.00 H new ATOM 0 HA VAL A 34 5.847 -8.820 -8.535 1.00 0.00 H new ATOM 0 HB VAL A 34 5.967 -10.839 -10.112 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.970 -9.605 -11.992 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.369 -9.018 -10.424 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.590 -8.080 -11.316 1.00 0.00 H new ATOM 0 HG21 VAL A 34 7.254 -10.529 -12.188 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.968 -9.042 -11.518 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.313 -10.615 -10.761 1.00 0.00 H new ATOM 510 N GLN A 35 7.260 -10.070 -6.884 1.00 0.00 N ATOM 511 CA GLN A 35 7.942 -10.945 -5.938 1.00 0.00 C ATOM 512 C GLN A 35 6.941 -11.801 -5.168 1.00 0.00 C ATOM 513 O GLN A 35 7.151 -12.999 -4.978 1.00 0.00 O ATOM 514 CB GLN A 35 8.782 -10.120 -4.961 1.00 0.00 C ATOM 515 CG GLN A 35 9.849 -9.276 -5.639 1.00 0.00 C ATOM 516 CD GLN A 35 10.721 -8.532 -4.648 1.00 0.00 C ATOM 517 OE1 GLN A 35 10.494 -7.355 -4.365 1.00 0.00 O ATOM 518 NE2 GLN A 35 11.727 -9.215 -4.114 1.00 0.00 N ATOM 0 H GLN A 35 6.570 -9.449 -6.462 1.00 0.00 H new ATOM 0 HA GLN A 35 8.599 -11.606 -6.503 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.123 -9.467 -4.390 1.00 0.00 H new ATOM 0 HB3 GLN A 35 9.260 -10.792 -4.249 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.476 -9.918 -6.258 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.370 -8.559 -6.306 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.879 -10.189 -4.377 1.00 0.00 H new ATOM 0 HE22 GLN A 35 12.348 -8.766 -3.441 1.00 0.00 H new ATOM 527 N ILE A 36 5.853 -11.178 -4.728 1.00 0.00 N ATOM 528 CA ILE A 36 4.819 -11.883 -3.981 1.00 0.00 C ATOM 529 C ILE A 36 3.504 -11.910 -4.752 1.00 0.00 C ATOM 530 O ILE A 36 3.303 -11.132 -5.685 1.00 0.00 O ATOM 531 CB ILE A 36 4.580 -11.236 -2.603 1.00 0.00 C ATOM 532 CG1 ILE A 36 3.861 -9.895 -2.764 1.00 0.00 C ATOM 533 CG2 ILE A 36 5.900 -11.052 -1.869 1.00 0.00 C ATOM 534 CD1 ILE A 36 4.718 -8.822 -3.398 1.00 0.00 C ATOM 0 H ILE A 36 5.665 -10.186 -4.876 1.00 0.00 H new ATOM 0 HA ILE A 36 5.174 -12.904 -3.838 1.00 0.00 H new ATOM 0 HB ILE A 36 3.947 -11.897 -2.011 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.968 -10.041 -3.372 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.528 -9.551 -1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 36 5.715 -10.594 -0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 36 6.376 -12.022 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.555 -10.408 -2.455 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.144 -7.899 -3.481 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.599 -8.647 -2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.030 -9.145 -4.391 1.00 0.00 H new ATOM 546 N HIS A 37 2.610 -12.810 -4.355 1.00 0.00 N ATOM 547 CA HIS A 37 1.311 -12.937 -5.008 1.00 0.00 C ATOM 548 C HIS A 37 0.802 -11.576 -5.473 1.00 0.00 C ATOM 549 O HIS A 37 0.362 -11.423 -6.612 1.00 0.00 O ATOM 550 CB HIS A 37 0.299 -13.576 -4.057 1.00 0.00 C ATOM 551 CG HIS A 37 0.136 -12.832 -2.767 1.00 0.00 C ATOM 552 ND1 HIS A 37 1.195 -12.276 -2.080 1.00 0.00 N ATOM 553 CD2 HIS A 37 -0.971 -12.552 -2.040 1.00 0.00 C ATOM 554 CE1 HIS A 37 0.746 -11.687 -0.986 1.00 0.00 C ATOM 555 NE2 HIS A 37 -0.565 -11.840 -0.938 1.00 0.00 N ATOM 0 H HIS A 37 2.761 -13.462 -3.585 1.00 0.00 H new ATOM 0 HA HIS A 37 1.432 -13.578 -5.881 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -0.668 -13.637 -4.556 1.00 0.00 H new ATOM 0 HB3 HIS A 37 0.611 -14.598 -3.841 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -1.985 -12.836 -2.282 1.00 0.00 H new ATOM 0 HE1 HIS A 37 1.349 -11.168 -0.255 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -1.177 -11.487 -0.202 1.00 0.00 H new ATOM 563 N VAL A 38 0.863 -10.591 -4.582 1.00 0.00 N ATOM 564 CA VAL A 38 0.408 -9.243 -4.902 1.00 0.00 C ATOM 565 C VAL A 38 1.584 -8.327 -5.218 1.00 0.00 C ATOM 566 O VAL A 38 2.266 -7.821 -4.327 1.00 0.00 O ATOM 567 CB VAL A 38 -0.405 -8.636 -3.742 1.00 0.00 C ATOM 568 CG1 VAL A 38 0.269 -8.923 -2.410 1.00 0.00 C ATOM 569 CG2 VAL A 38 -0.586 -7.139 -3.946 1.00 0.00 C ATOM 0 H VAL A 38 1.223 -10.701 -3.634 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.231 -9.324 -5.781 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.391 -9.100 -3.730 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -0.320 -8.487 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL A 38 0.342 -10.001 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.268 -8.488 -2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -1.162 -6.726 -3.118 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.391 -6.656 -3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.116 -6.961 -4.882 1.00 0.00 H new ATOM 579 N PRO A 39 1.829 -8.106 -6.518 1.00 0.00 N ATOM 580 CA PRO A 39 2.923 -7.248 -6.983 1.00 0.00 C ATOM 581 C PRO A 39 2.673 -5.774 -6.679 1.00 0.00 C ATOM 582 O PRO A 39 1.626 -5.408 -6.144 1.00 0.00 O ATOM 583 CB PRO A 39 2.942 -7.486 -8.495 1.00 0.00 C ATOM 584 CG PRO A 39 1.554 -7.911 -8.830 1.00 0.00 C ATOM 585 CD PRO A 39 1.056 -8.676 -7.634 1.00 0.00 C ATOM 0 HA PRO A 39 3.865 -7.485 -6.488 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.220 -6.581 -9.035 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.667 -8.254 -8.766 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.920 -7.048 -9.033 1.00 0.00 H new ATOM 0 HG3 PRO A 39 1.541 -8.534 -9.725 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.016 -8.543 -7.490 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.233 -9.746 -7.740 1.00 0.00 H new ATOM 593 N THR A 40 3.642 -4.931 -7.024 1.00 0.00 N ATOM 594 CA THR A 40 3.527 -3.498 -6.787 1.00 0.00 C ATOM 595 C THR A 40 3.619 -2.716 -8.093 1.00 0.00 C ATOM 596 O THR A 40 4.624 -2.784 -8.800 1.00 0.00 O ATOM 597 CB THR A 40 4.622 -2.998 -5.825 1.00 0.00 C ATOM 598 OG1 THR A 40 5.906 -3.097 -6.450 1.00 0.00 O ATOM 599 CG2 THR A 40 4.617 -3.804 -4.535 1.00 0.00 C ATOM 0 H THR A 40 4.515 -5.217 -7.468 1.00 0.00 H new ATOM 0 HA THR A 40 2.550 -3.330 -6.333 1.00 0.00 H new ATOM 0 HB THR A 40 4.415 -1.955 -5.585 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.792 -3.178 -7.420 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.398 -3.433 -3.871 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.648 -3.703 -4.047 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.801 -4.854 -4.761 1.00 0.00 H new ATOM 607 N PHE A 41 2.563 -1.973 -8.407 1.00 0.00 N ATOM 608 CA PHE A 41 2.524 -1.178 -9.629 1.00 0.00 C ATOM 609 C PHE A 41 2.305 0.298 -9.310 1.00 0.00 C ATOM 610 O PHE A 41 1.354 0.662 -8.617 1.00 0.00 O ATOM 611 CB PHE A 41 1.415 -1.681 -10.555 1.00 0.00 C ATOM 612 CG PHE A 41 1.744 -2.980 -11.234 1.00 0.00 C ATOM 613 CD1 PHE A 41 1.638 -4.180 -10.551 1.00 0.00 C ATOM 614 CD2 PHE A 41 2.160 -3.000 -12.556 1.00 0.00 C ATOM 615 CE1 PHE A 41 1.941 -5.377 -11.173 1.00 0.00 C ATOM 616 CE2 PHE A 41 2.463 -4.193 -13.183 1.00 0.00 C ATOM 617 CZ PHE A 41 2.354 -5.383 -12.490 1.00 0.00 C ATOM 0 H PHE A 41 1.723 -1.905 -7.832 1.00 0.00 H new ATOM 0 HA PHE A 41 3.485 -1.285 -10.133 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.499 -1.804 -9.978 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.215 -0.924 -11.314 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.315 -4.181 -9.520 1.00 0.00 H new ATOM 0 HD2 PHE A 41 2.248 -2.072 -13.102 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.855 -6.306 -10.629 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.785 -4.195 -14.214 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.592 -6.317 -12.978 1.00 0.00 H new ATOM 627 N THR A 42 3.193 1.146 -9.821 1.00 0.00 N ATOM 628 CA THR A 42 3.099 2.582 -9.590 1.00 0.00 C ATOM 629 C THR A 42 2.314 3.267 -10.703 1.00 0.00 C ATOM 630 O THR A 42 2.838 3.500 -11.793 1.00 0.00 O ATOM 631 CB THR A 42 4.494 3.227 -9.489 1.00 0.00 C ATOM 632 OG1 THR A 42 5.287 2.529 -8.522 1.00 0.00 O ATOM 633 CG2 THR A 42 4.385 4.693 -9.099 1.00 0.00 C ATOM 0 H THR A 42 3.985 0.863 -10.398 1.00 0.00 H new ATOM 0 HA THR A 42 2.575 2.717 -8.644 1.00 0.00 H new ATOM 0 HB THR A 42 4.972 3.162 -10.466 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.816 3.173 -8.006 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.383 5.127 -9.034 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.805 5.227 -9.851 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.889 4.776 -8.132 1.00 0.00 H new ATOM 641 N PHE A 43 1.056 3.590 -10.421 1.00 0.00 N ATOM 642 CA PHE A 43 0.199 4.249 -11.399 1.00 0.00 C ATOM 643 C PHE A 43 0.235 5.764 -11.221 1.00 0.00 C ATOM 644 O PHE A 43 -0.149 6.286 -10.174 1.00 0.00 O ATOM 645 CB PHE A 43 -1.240 3.743 -11.271 1.00 0.00 C ATOM 646 CG PHE A 43 -1.535 2.550 -12.134 1.00 0.00 C ATOM 647 CD1 PHE A 43 -1.675 2.688 -13.505 1.00 0.00 C ATOM 648 CD2 PHE A 43 -1.672 1.290 -11.573 1.00 0.00 C ATOM 649 CE1 PHE A 43 -1.947 1.591 -14.301 1.00 0.00 C ATOM 650 CE2 PHE A 43 -1.944 0.190 -12.364 1.00 0.00 C ATOM 651 CZ PHE A 43 -2.081 0.341 -13.730 1.00 0.00 C ATOM 0 H PHE A 43 0.608 3.406 -9.523 1.00 0.00 H new ATOM 0 HA PHE A 43 0.574 4.009 -12.394 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.435 3.485 -10.230 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.925 4.549 -11.533 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.571 3.663 -13.957 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.565 1.166 -10.505 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -2.055 1.712 -15.369 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.049 -0.786 -11.915 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.293 -0.517 -14.351 1.00 0.00 H new ATOM 661 N ARG A 44 0.700 6.464 -12.250 1.00 0.00 N ATOM 662 CA ARG A 44 0.789 7.919 -12.207 1.00 0.00 C ATOM 663 C ARG A 44 -0.431 8.557 -12.865 1.00 0.00 C ATOM 664 O ARG A 44 -0.713 8.317 -14.039 1.00 0.00 O ATOM 665 CB ARG A 44 2.065 8.394 -12.905 1.00 0.00 C ATOM 666 CG ARG A 44 2.491 9.797 -12.505 1.00 0.00 C ATOM 667 CD ARG A 44 3.977 10.017 -12.742 1.00 0.00 C ATOM 668 NE ARG A 44 4.461 11.233 -12.096 1.00 0.00 N ATOM 669 CZ ARG A 44 5.681 11.726 -12.275 1.00 0.00 C ATOM 670 NH1 ARG A 44 6.537 11.109 -13.079 1.00 0.00 N ATOM 671 NH2 ARG A 44 6.048 12.838 -11.652 1.00 0.00 N ATOM 0 H ARG A 44 1.021 6.047 -13.124 1.00 0.00 H new ATOM 0 HA ARG A 44 0.819 8.226 -11.162 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.874 7.699 -12.678 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.912 8.363 -13.984 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.918 10.529 -13.075 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.261 9.962 -11.452 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.535 9.160 -12.365 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.168 10.075 -13.814 1.00 0.00 H new ATOM 0 HE ARG A 44 3.827 11.732 -11.472 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.259 10.254 -13.561 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.474 11.489 -13.215 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.393 13.316 -11.034 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.986 13.215 -11.791 1.00 0.00 H new ATOM 685 N VAL A 45 -1.151 9.372 -12.100 1.00 0.00 N ATOM 686 CA VAL A 45 -2.340 10.046 -12.608 1.00 0.00 C ATOM 687 C VAL A 45 -2.053 11.512 -12.911 1.00 0.00 C ATOM 688 O VAL A 45 -1.625 12.267 -12.037 1.00 0.00 O ATOM 689 CB VAL A 45 -3.506 9.959 -11.605 1.00 0.00 C ATOM 690 CG1 VAL A 45 -3.388 11.051 -10.553 1.00 0.00 C ATOM 691 CG2 VAL A 45 -4.840 10.048 -12.331 1.00 0.00 C ATOM 0 H VAL A 45 -0.931 9.581 -11.126 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.624 9.536 -13.529 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.457 8.995 -11.100 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.220 10.974 -9.853 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.448 10.936 -10.013 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.411 12.027 -11.038 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.653 9.985 -11.608 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.902 10.997 -12.864 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.923 9.226 -13.042 1.00 0.00 H new ATOM 701 N THR A 46 -2.292 11.911 -14.157 1.00 0.00 N ATOM 702 CA THR A 46 -2.059 13.287 -14.577 1.00 0.00 C ATOM 703 C THR A 46 -3.333 13.916 -15.129 1.00 0.00 C ATOM 704 O THR A 46 -3.778 13.581 -16.226 1.00 0.00 O ATOM 705 CB THR A 46 -0.954 13.368 -15.648 1.00 0.00 C ATOM 706 OG1 THR A 46 0.292 12.924 -15.100 1.00 0.00 O ATOM 707 CG2 THR A 46 -0.808 14.790 -16.167 1.00 0.00 C ATOM 0 H THR A 46 -2.647 11.300 -14.893 1.00 0.00 H new ATOM 0 HA THR A 46 -1.739 13.838 -13.693 1.00 0.00 H new ATOM 0 HB THR A 46 -1.235 12.722 -16.479 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.989 12.977 -15.787 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.022 14.823 -16.922 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.750 15.114 -16.609 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.547 15.453 -15.342 1.00 0.00 H new ATOM 715 N VAL A 47 -3.916 14.831 -14.361 1.00 0.00 N ATOM 716 CA VAL A 47 -5.139 15.510 -14.774 1.00 0.00 C ATOM 717 C VAL A 47 -4.919 17.013 -14.896 1.00 0.00 C ATOM 718 O VAL A 47 -4.794 17.716 -13.894 1.00 0.00 O ATOM 719 CB VAL A 47 -6.288 15.249 -13.782 1.00 0.00 C ATOM 720 CG1 VAL A 47 -7.472 16.153 -14.087 1.00 0.00 C ATOM 721 CG2 VAL A 47 -6.701 13.785 -13.819 1.00 0.00 C ATOM 0 H VAL A 47 -3.561 15.119 -13.449 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.412 15.106 -15.749 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.936 15.478 -12.776 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.274 15.954 -13.376 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -7.164 17.195 -14.005 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.828 15.958 -15.099 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -7.514 13.618 -13.112 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.035 13.527 -14.824 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.850 13.160 -13.548 1.00 0.00 H new ATOM 731 N GLY A 48 -4.872 17.501 -16.132 1.00 0.00 N ATOM 732 CA GLY A 48 -4.667 18.919 -16.362 1.00 0.00 C ATOM 733 C GLY A 48 -3.311 19.395 -15.880 1.00 0.00 C ATOM 734 O GLY A 48 -2.334 19.369 -16.628 1.00 0.00 O ATOM 0 H GLY A 48 -4.972 16.940 -16.978 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.765 19.129 -17.427 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.449 19.483 -15.853 1.00 0.00 H new ATOM 738 N ASP A 49 -3.252 19.834 -14.627 1.00 0.00 N ATOM 739 CA ASP A 49 -2.005 20.319 -14.045 1.00 0.00 C ATOM 740 C ASP A 49 -1.599 19.470 -12.845 1.00 0.00 C ATOM 741 O ASP A 49 -0.447 19.501 -12.411 1.00 0.00 O ATOM 742 CB ASP A 49 -2.150 21.782 -13.625 1.00 0.00 C ATOM 743 CG ASP A 49 -2.007 22.737 -14.794 1.00 0.00 C ATOM 744 OD1 ASP A 49 -1.184 22.458 -15.691 1.00 0.00 O ATOM 745 OD2 ASP A 49 -2.719 23.762 -14.812 1.00 0.00 O ATOM 0 H ASP A 49 -4.052 19.864 -13.995 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.225 20.242 -14.802 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.124 21.928 -13.157 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.397 22.017 -12.873 1.00 0.00 H new ATOM 750 N ILE A 50 -2.553 18.713 -12.313 1.00 0.00 N ATOM 751 CA ILE A 50 -2.294 17.855 -11.162 1.00 0.00 C ATOM 752 C ILE A 50 -1.716 16.513 -11.597 1.00 0.00 C ATOM 753 O ILE A 50 -2.247 15.856 -12.493 1.00 0.00 O ATOM 754 CB ILE A 50 -3.575 17.610 -10.344 1.00 0.00 C ATOM 755 CG1 ILE A 50 -4.266 18.937 -10.027 1.00 0.00 C ATOM 756 CG2 ILE A 50 -3.249 16.857 -9.062 1.00 0.00 C ATOM 757 CD1 ILE A 50 -5.719 18.784 -9.634 1.00 0.00 C ATOM 0 H ILE A 50 -3.511 18.676 -12.660 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.568 18.375 -10.537 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.256 17.000 -10.938 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.730 19.432 -9.218 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.201 19.589 -10.898 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.165 16.691 -8.494 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.796 15.897 -9.309 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -2.552 17.443 -8.463 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.144 19.765 -9.424 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.270 18.317 -10.451 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.791 18.159 -8.744 1.00 0.00 H new ATOM 769 N THR A 51 -0.625 16.108 -10.954 1.00 0.00 N ATOM 770 CA THR A 51 0.025 14.843 -11.272 1.00 0.00 C ATOM 771 C THR A 51 0.413 14.090 -10.005 1.00 0.00 C ATOM 772 O THR A 51 1.327 14.497 -9.285 1.00 0.00 O ATOM 773 CB THR A 51 1.284 15.060 -12.133 1.00 0.00 C ATOM 774 OG1 THR A 51 0.911 15.305 -13.494 1.00 0.00 O ATOM 775 CG2 THR A 51 2.201 13.849 -12.064 1.00 0.00 C ATOM 0 H THR A 51 -0.173 16.639 -10.209 1.00 0.00 H new ATOM 0 HA THR A 51 -0.695 14.251 -11.837 1.00 0.00 H new ATOM 0 HB THR A 51 1.820 15.925 -11.742 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.758 14.451 -13.950 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.083 14.025 -12.680 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.507 13.682 -11.031 1.00 0.00 H new ATOM 0 HG23 THR A 51 1.671 12.970 -12.432 1.00 0.00 H new ATOM 783 N CYS A 52 -0.284 12.992 -9.738 1.00 0.00 N ATOM 784 CA CYS A 52 -0.012 12.182 -8.556 1.00 0.00 C ATOM 785 C CYS A 52 0.409 10.770 -8.950 1.00 0.00 C ATOM 786 O CYS A 52 0.301 10.379 -10.113 1.00 0.00 O ATOM 787 CB CYS A 52 -1.246 12.126 -7.655 1.00 0.00 C ATOM 788 SG CYS A 52 -1.858 13.747 -7.139 1.00 0.00 S ATOM 0 H CYS A 52 -1.042 12.642 -10.324 1.00 0.00 H new ATOM 0 HA CYS A 52 0.808 12.647 -8.008 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.043 11.599 -8.181 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.008 11.540 -6.767 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.030 13.756 -5.850 1.00 0.00 H new ATOM 794 N THR A 53 0.892 10.007 -7.974 1.00 0.00 N ATOM 795 CA THR A 53 1.332 8.640 -8.219 1.00 0.00 C ATOM 796 C THR A 53 0.827 7.697 -7.133 1.00 0.00 C ATOM 797 O THR A 53 0.759 8.064 -5.961 1.00 0.00 O ATOM 798 CB THR A 53 2.868 8.548 -8.289 1.00 0.00 C ATOM 799 OG1 THR A 53 3.425 8.638 -6.972 1.00 0.00 O ATOM 800 CG2 THR A 53 3.437 9.656 -9.162 1.00 0.00 C ATOM 0 H THR A 53 0.988 10.314 -7.006 1.00 0.00 H new ATOM 0 HA THR A 53 0.913 8.341 -9.180 1.00 0.00 H new ATOM 0 HB THR A 53 3.133 7.587 -8.730 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.402 8.577 -7.025 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.523 9.571 -9.196 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.034 9.568 -10.171 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.162 10.625 -8.745 1.00 0.00 H new ATOM 808 N GLY A 54 0.475 6.478 -7.531 1.00 0.00 N ATOM 809 CA GLY A 54 -0.019 5.500 -6.578 1.00 0.00 C ATOM 810 C GLY A 54 0.889 4.292 -6.465 1.00 0.00 C ATOM 811 O GLY A 54 0.725 3.314 -7.194 1.00 0.00 O ATOM 0 H GLY A 54 0.523 6.150 -8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.118 5.969 -5.599 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -1.015 5.175 -6.878 1.00 0.00 H new ATOM 815 N GLU A 55 1.849 4.359 -5.548 1.00 0.00 N ATOM 816 CA GLU A 55 2.788 3.262 -5.344 1.00 0.00 C ATOM 817 C GLU A 55 2.482 2.519 -4.046 1.00 0.00 C ATOM 818 O GLU A 55 2.180 3.132 -3.023 1.00 0.00 O ATOM 819 CB GLU A 55 4.224 3.788 -5.317 1.00 0.00 C ATOM 820 CG GLU A 55 5.268 2.701 -5.124 1.00 0.00 C ATOM 821 CD GLU A 55 6.675 3.184 -5.417 1.00 0.00 C ATOM 822 OE1 GLU A 55 7.171 4.053 -4.670 1.00 0.00 O ATOM 823 OE2 GLU A 55 7.280 2.693 -6.393 1.00 0.00 O ATOM 0 H GLU A 55 1.997 5.161 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 55 2.680 2.566 -6.176 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.427 4.313 -6.250 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.319 4.518 -4.513 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.220 2.335 -4.099 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.034 1.858 -5.775 1.00 0.00 H new ATOM 830 N GLY A 56 2.563 1.193 -4.098 1.00 0.00 N ATOM 831 CA GLY A 56 2.292 0.387 -2.922 1.00 0.00 C ATOM 832 C GLY A 56 1.722 -0.974 -3.270 1.00 0.00 C ATOM 833 O GLY A 56 2.165 -1.995 -2.741 1.00 0.00 O ATOM 0 H GLY A 56 2.811 0.663 -4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.213 0.257 -2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.592 0.916 -2.276 1.00 0.00 H new ATOM 837 N THR A 57 0.736 -0.991 -4.161 1.00 0.00 N ATOM 838 CA THR A 57 0.103 -2.236 -4.577 1.00 0.00 C ATOM 839 C THR A 57 -0.066 -2.288 -6.091 1.00 0.00 C ATOM 840 O THR A 57 0.345 -1.372 -6.803 1.00 0.00 O ATOM 841 CB THR A 57 -1.274 -2.416 -3.912 1.00 0.00 C ATOM 842 OG1 THR A 57 -1.292 -1.763 -2.637 1.00 0.00 O ATOM 843 CG2 THR A 57 -1.602 -3.891 -3.736 1.00 0.00 C ATOM 0 H THR A 57 0.358 -0.156 -4.609 1.00 0.00 H new ATOM 0 HA THR A 57 0.760 -3.046 -4.259 1.00 0.00 H new ATOM 0 HB THR A 57 -2.027 -1.968 -4.560 1.00 0.00 H new ATOM 0 HG1 THR A 57 -1.416 -2.430 -1.930 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.579 -3.993 -3.264 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.617 -4.379 -4.710 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.845 -4.360 -3.107 1.00 0.00 H new ATOM 851 N SER A 58 -0.674 -3.365 -6.578 1.00 0.00 N ATOM 852 CA SER A 58 -0.895 -3.538 -8.009 1.00 0.00 C ATOM 853 C SER A 58 -2.194 -2.866 -8.443 1.00 0.00 C ATOM 854 O SER A 58 -2.898 -2.265 -7.631 1.00 0.00 O ATOM 855 CB SER A 58 -0.932 -5.025 -8.365 1.00 0.00 C ATOM 856 OG SER A 58 -1.904 -5.710 -7.594 1.00 0.00 O ATOM 0 H SER A 58 -1.023 -4.131 -6.002 1.00 0.00 H new ATOM 0 HA SER A 58 -0.068 -3.066 -8.539 1.00 0.00 H new ATOM 0 HB2 SER A 58 -1.155 -5.143 -9.425 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.050 -5.467 -8.195 1.00 0.00 H new ATOM 0 HG SER A 58 -1.909 -6.658 -7.842 1.00 0.00 H new ATOM 862 N LYS A 59 -2.506 -2.973 -9.730 1.00 0.00 N ATOM 863 CA LYS A 59 -3.721 -2.378 -10.274 1.00 0.00 C ATOM 864 C LYS A 59 -4.863 -2.452 -9.265 1.00 0.00 C ATOM 865 O LYS A 59 -5.747 -1.595 -9.249 1.00 0.00 O ATOM 866 CB LYS A 59 -4.124 -3.087 -11.569 1.00 0.00 C ATOM 867 CG LYS A 59 -3.077 -2.994 -12.665 1.00 0.00 C ATOM 868 CD LYS A 59 -3.120 -4.205 -13.582 1.00 0.00 C ATOM 869 CE LYS A 59 -1.994 -4.171 -14.604 1.00 0.00 C ATOM 870 NZ LYS A 59 -1.860 -5.467 -15.325 1.00 0.00 N ATOM 0 H LYS A 59 -1.934 -3.466 -10.416 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.517 -1.329 -10.489 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.319 -4.137 -11.353 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.058 -2.658 -11.933 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.240 -2.088 -13.249 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.087 -2.911 -12.217 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.046 -5.116 -12.988 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.080 -4.238 -14.098 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.180 -3.373 -15.323 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.055 -3.936 -14.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.082 -5.403 -16.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.657 -6.225 -14.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.747 -5.680 -15.825 1.00 0.00 H new ATOM 884 N LYS A 60 -4.837 -3.479 -8.424 1.00 0.00 N ATOM 885 CA LYS A 60 -5.868 -3.664 -7.409 1.00 0.00 C ATOM 886 C LYS A 60 -6.064 -2.389 -6.595 1.00 0.00 C ATOM 887 O LYS A 60 -7.080 -1.705 -6.729 1.00 0.00 O ATOM 888 CB LYS A 60 -5.497 -4.822 -6.480 1.00 0.00 C ATOM 889 CG LYS A 60 -6.699 -5.559 -5.917 1.00 0.00 C ATOM 890 CD LYS A 60 -7.121 -6.708 -6.816 1.00 0.00 C ATOM 891 CE LYS A 60 -8.026 -6.232 -7.942 1.00 0.00 C ATOM 892 NZ LYS A 60 -8.936 -7.311 -8.417 1.00 0.00 N ATOM 0 H LYS A 60 -4.113 -4.197 -8.425 1.00 0.00 H new ATOM 0 HA LYS A 60 -6.804 -3.899 -7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.871 -5.528 -7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.898 -4.437 -5.655 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -6.460 -5.941 -4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.530 -4.864 -5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -6.236 -7.186 -7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -7.640 -7.462 -6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.617 -5.383 -7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.416 -5.879 -8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -9.536 -6.946 -9.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.372 -8.111 -8.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.536 -7.630 -7.630 1.00 0.00 H new ATOM 906 N LEU A 61 -5.087 -2.074 -5.753 1.00 0.00 N ATOM 907 CA LEU A 61 -5.151 -0.879 -4.918 1.00 0.00 C ATOM 908 C LEU A 61 -4.450 0.295 -5.592 1.00 0.00 C ATOM 909 O LEU A 61 -5.025 1.373 -5.740 1.00 0.00 O ATOM 910 CB LEU A 61 -4.517 -1.152 -3.553 1.00 0.00 C ATOM 911 CG LEU A 61 -3.842 0.042 -2.877 1.00 0.00 C ATOM 912 CD1 LEU A 61 -4.692 1.293 -3.029 1.00 0.00 C ATOM 913 CD2 LEU A 61 -3.583 -0.254 -1.406 1.00 0.00 C ATOM 0 H LEU A 61 -4.240 -2.629 -5.630 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.200 -0.619 -4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.290 -1.533 -2.885 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.777 -1.944 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.884 0.218 -3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.195 2.132 -2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.826 1.516 -4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.666 1.130 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.102 0.607 -0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.529 -0.457 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.932 -1.124 -1.319 1.00 0.00 H new ATOM 925 N ALA A 62 -3.204 0.078 -6.002 1.00 0.00 N ATOM 926 CA ALA A 62 -2.425 1.117 -6.664 1.00 0.00 C ATOM 927 C ALA A 62 -3.322 2.031 -7.493 1.00 0.00 C ATOM 928 O ALA A 62 -3.302 3.251 -7.331 1.00 0.00 O ATOM 929 CB ALA A 62 -1.351 0.492 -7.542 1.00 0.00 C ATOM 0 H ALA A 62 -2.713 -0.808 -5.887 1.00 0.00 H new ATOM 0 HA ALA A 62 -1.944 1.722 -5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -0.777 1.279 -8.030 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -0.686 -0.114 -6.927 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.820 -0.137 -8.298 1.00 0.00 H new ATOM 935 N LYS A 63 -4.108 1.433 -8.382 1.00 0.00 N ATOM 936 CA LYS A 63 -5.013 2.192 -9.236 1.00 0.00 C ATOM 937 C LYS A 63 -5.945 3.065 -8.402 1.00 0.00 C ATOM 938 O LYS A 63 -5.983 4.285 -8.567 1.00 0.00 O ATOM 939 CB LYS A 63 -5.834 1.245 -10.114 1.00 0.00 C ATOM 940 CG LYS A 63 -6.239 1.848 -11.448 1.00 0.00 C ATOM 941 CD LYS A 63 -5.191 1.590 -12.517 1.00 0.00 C ATOM 942 CE LYS A 63 -5.619 2.153 -13.864 1.00 0.00 C ATOM 943 NZ LYS A 63 -6.509 1.212 -14.601 1.00 0.00 N ATOM 0 H LYS A 63 -4.136 0.424 -8.530 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.412 2.840 -9.874 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.256 0.339 -10.295 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.732 0.948 -9.572 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.194 1.427 -11.764 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.386 2.922 -11.333 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.245 2.041 -12.217 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.019 0.518 -12.608 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.137 3.100 -13.714 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.736 2.365 -14.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.779 1.632 -15.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.006 0.317 -14.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.364 1.030 -14.038 1.00 0.00 H new ATOM 957 N HIS A 64 -6.695 2.433 -7.504 1.00 0.00 N ATOM 958 CA HIS A 64 -7.625 3.153 -6.642 1.00 0.00 C ATOM 959 C HIS A 64 -6.971 4.402 -6.060 1.00 0.00 C ATOM 960 O HIS A 64 -7.538 5.494 -6.113 1.00 0.00 O ATOM 961 CB HIS A 64 -8.114 2.246 -5.513 1.00 0.00 C ATOM 962 CG HIS A 64 -9.515 2.539 -5.072 1.00 0.00 C ATOM 963 ND1 HIS A 64 -10.626 2.005 -5.690 1.00 0.00 N ATOM 964 CD2 HIS A 64 -9.982 3.316 -4.066 1.00 0.00 C ATOM 965 CE1 HIS A 64 -11.716 2.442 -5.084 1.00 0.00 C ATOM 966 NE2 HIS A 64 -11.353 3.238 -4.095 1.00 0.00 N ATOM 0 H HIS A 64 -6.677 1.424 -7.355 1.00 0.00 H new ATOM 0 HA HIS A 64 -8.478 3.460 -7.247 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -8.055 1.208 -5.841 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -7.444 2.349 -4.659 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -9.387 3.890 -3.371 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -12.732 2.191 -5.352 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -11.988 3.717 -3.456 1.00 0.00 H new ATOM 974 N ARG A 65 -5.776 4.234 -5.505 1.00 0.00 N ATOM 975 CA ARG A 65 -5.045 5.347 -4.911 1.00 0.00 C ATOM 976 C ARG A 65 -4.706 6.398 -5.964 1.00 0.00 C ATOM 977 O ARG A 65 -4.911 7.593 -5.751 1.00 0.00 O ATOM 978 CB ARG A 65 -3.763 4.846 -4.243 1.00 0.00 C ATOM 979 CG ARG A 65 -3.944 4.472 -2.781 1.00 0.00 C ATOM 980 CD ARG A 65 -2.658 3.923 -2.184 1.00 0.00 C ATOM 981 NE ARG A 65 -2.596 4.125 -0.739 1.00 0.00 N ATOM 982 CZ ARG A 65 -1.542 3.806 0.004 1.00 0.00 C ATOM 983 NH1 ARG A 65 -0.467 3.273 -0.560 1.00 0.00 N ATOM 984 NH2 ARG A 65 -1.561 4.020 1.313 1.00 0.00 N ATOM 0 H ARG A 65 -5.293 3.337 -5.454 1.00 0.00 H new ATOM 0 HA ARG A 65 -5.683 5.806 -4.156 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.395 3.977 -4.789 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.998 5.618 -4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.263 5.348 -2.217 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.736 3.728 -2.690 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.581 2.858 -2.405 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.803 4.409 -2.655 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.407 4.534 -0.274 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.448 3.107 -1.566 1.00 0.00 H new ATOM 0 HH12 ARG A 65 0.341 3.029 0.012 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.386 4.430 1.751 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.751 3.774 1.882 1.00 0.00 H new ATOM 998 N ALA A 66 -4.185 5.944 -7.099 1.00 0.00 N ATOM 999 CA ALA A 66 -3.819 6.845 -8.185 1.00 0.00 C ATOM 1000 C ALA A 66 -4.949 7.819 -8.495 1.00 0.00 C ATOM 1001 O ALA A 66 -4.749 9.033 -8.510 1.00 0.00 O ATOM 1002 CB ALA A 66 -3.449 6.049 -9.428 1.00 0.00 C ATOM 0 H ALA A 66 -4.007 4.958 -7.290 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.953 7.425 -7.867 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.178 6.734 -10.231 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.603 5.398 -9.205 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.300 5.444 -9.739 1.00 0.00 H new ATOM 1008 N ALA A 67 -6.138 7.279 -8.744 1.00 0.00 N ATOM 1009 CA ALA A 67 -7.301 8.102 -9.053 1.00 0.00 C ATOM 1010 C ALA A 67 -7.692 8.970 -7.861 1.00 0.00 C ATOM 1011 O ALA A 67 -8.023 10.144 -8.020 1.00 0.00 O ATOM 1012 CB ALA A 67 -8.470 7.225 -9.476 1.00 0.00 C ATOM 0 H ALA A 67 -6.321 6.276 -8.738 1.00 0.00 H new ATOM 0 HA ALA A 67 -7.039 8.763 -9.879 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -9.332 7.852 -9.704 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -8.194 6.653 -10.361 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.723 6.541 -8.666 1.00 0.00 H new ATOM 1018 N GLU A 68 -7.651 8.383 -6.669 1.00 0.00 N ATOM 1019 CA GLU A 68 -8.003 9.104 -5.451 1.00 0.00 C ATOM 1020 C GLU A 68 -7.159 10.366 -5.303 1.00 0.00 C ATOM 1021 O GLU A 68 -7.690 11.463 -5.130 1.00 0.00 O ATOM 1022 CB GLU A 68 -7.814 8.205 -4.228 1.00 0.00 C ATOM 1023 CG GLU A 68 -9.074 7.459 -3.820 1.00 0.00 C ATOM 1024 CD GLU A 68 -9.909 8.231 -2.816 1.00 0.00 C ATOM 1025 OE1 GLU A 68 -10.430 9.305 -3.180 1.00 0.00 O ATOM 1026 OE2 GLU A 68 -10.040 7.760 -1.667 1.00 0.00 O ATOM 0 H GLU A 68 -7.378 7.411 -6.521 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.051 9.395 -5.521 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.026 7.482 -4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.474 8.813 -3.390 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -9.675 7.255 -4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.799 6.495 -3.393 1.00 0.00 H new ATOM 1033 N ALA A 69 -5.842 10.202 -5.373 1.00 0.00 N ATOM 1034 CA ALA A 69 -4.925 11.328 -5.248 1.00 0.00 C ATOM 1035 C ALA A 69 -5.469 12.562 -5.960 1.00 0.00 C ATOM 1036 O ALA A 69 -5.763 13.576 -5.328 1.00 0.00 O ATOM 1037 CB ALA A 69 -3.557 10.958 -5.802 1.00 0.00 C ATOM 0 H ALA A 69 -5.387 9.301 -5.516 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.825 11.567 -4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.882 11.808 -5.702 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.157 10.110 -5.247 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.651 10.691 -6.855 1.00 0.00 H new ATOM 1043 N ALA A 70 -5.601 12.468 -7.280 1.00 0.00 N ATOM 1044 CA ALA A 70 -6.112 13.576 -8.077 1.00 0.00 C ATOM 1045 C ALA A 70 -7.383 14.154 -7.463 1.00 0.00 C ATOM 1046 O ALA A 70 -7.458 15.350 -7.181 1.00 0.00 O ATOM 1047 CB ALA A 70 -6.373 13.122 -9.506 1.00 0.00 C ATOM 0 H ALA A 70 -5.361 11.636 -7.819 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.356 14.361 -8.089 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.754 13.960 -10.090 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.444 12.764 -9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.108 12.317 -9.504 1.00 0.00 H new ATOM 1053 N ILE A 71 -8.379 13.298 -7.261 1.00 0.00 N ATOM 1054 CA ILE A 71 -9.646 13.725 -6.681 1.00 0.00 C ATOM 1055 C ILE A 71 -9.421 14.614 -5.462 1.00 0.00 C ATOM 1056 O ILE A 71 -9.740 15.802 -5.481 1.00 0.00 O ATOM 1057 CB ILE A 71 -10.511 12.519 -6.270 1.00 0.00 C ATOM 1058 CG1 ILE A 71 -10.764 11.610 -7.475 1.00 0.00 C ATOM 1059 CG2 ILE A 71 -11.827 12.991 -5.670 1.00 0.00 C ATOM 1060 CD1 ILE A 71 -11.408 10.290 -7.112 1.00 0.00 C ATOM 0 H ILE A 71 -8.333 12.305 -7.490 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.170 14.293 -7.450 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.974 11.947 -5.514 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -11.403 12.133 -8.187 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -9.817 11.417 -7.979 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.427 12.127 -5.385 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -11.627 13.601 -4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -12.371 13.583 -6.406 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -11.558 9.698 -8.015 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.760 9.746 -6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -12.371 10.474 -6.635 1.00 0.00 H new ATOM 1072 N ASN A 72 -8.868 14.030 -4.405 1.00 0.00 N ATOM 1073 CA ASN A 72 -8.598 14.769 -3.177 1.00 0.00 C ATOM 1074 C ASN A 72 -8.084 16.171 -3.488 1.00 0.00 C ATOM 1075 O ASN A 72 -8.288 17.105 -2.711 1.00 0.00 O ATOM 1076 CB ASN A 72 -7.578 14.019 -2.318 1.00 0.00 C ATOM 1077 CG ASN A 72 -8.235 13.055 -1.350 1.00 0.00 C ATOM 1078 OD1 ASN A 72 -8.838 13.467 -0.359 1.00 0.00 O ATOM 1079 ND2 ASN A 72 -8.119 11.762 -1.632 1.00 0.00 N ATOM 0 H ASN A 72 -8.598 13.047 -4.374 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.533 14.858 -2.624 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.895 13.470 -2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.979 14.738 -1.760 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.539 11.066 -1.016 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.610 11.465 -2.465 1.00 0.00 H new ATOM 1086 N ILE A 73 -7.418 16.312 -4.629 1.00 0.00 N ATOM 1087 CA ILE A 73 -6.877 17.600 -5.044 1.00 0.00 C ATOM 1088 C ILE A 73 -7.881 18.370 -5.895 1.00 0.00 C ATOM 1089 O ILE A 73 -7.945 19.599 -5.841 1.00 0.00 O ATOM 1090 CB ILE A 73 -5.569 17.432 -5.840 1.00 0.00 C ATOM 1091 CG1 ILE A 73 -4.473 16.850 -4.944 1.00 0.00 C ATOM 1092 CG2 ILE A 73 -5.130 18.765 -6.425 1.00 0.00 C ATOM 1093 CD1 ILE A 73 -3.430 16.060 -5.702 1.00 0.00 C ATOM 0 H ILE A 73 -7.240 15.550 -5.283 1.00 0.00 H new ATOM 0 HA ILE A 73 -6.669 18.162 -4.134 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.747 16.738 -6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.983 17.663 -4.408 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -4.932 16.205 -4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.204 18.630 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -5.905 19.143 -7.092 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.965 19.480 -5.619 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.685 15.677 -5.004 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.908 15.226 -6.216 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.944 16.706 -6.433 1.00 0.00 H new ATOM 1105 N LEU A 74 -8.665 17.639 -6.680 1.00 0.00 N ATOM 1106 CA LEU A 74 -9.669 18.253 -7.543 1.00 0.00 C ATOM 1107 C LEU A 74 -10.729 18.975 -6.717 1.00 0.00 C ATOM 1108 O LEU A 74 -11.474 19.808 -7.234 1.00 0.00 O ATOM 1109 CB LEU A 74 -10.330 17.192 -8.425 1.00 0.00 C ATOM 1110 CG LEU A 74 -9.675 16.948 -9.785 1.00 0.00 C ATOM 1111 CD1 LEU A 74 -8.161 16.919 -9.652 1.00 0.00 C ATOM 1112 CD2 LEU A 74 -10.184 15.650 -10.397 1.00 0.00 C ATOM 0 H LEU A 74 -8.625 16.621 -6.737 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.168 18.984 -8.178 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.345 16.250 -7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -11.368 17.481 -8.590 1.00 0.00 H new ATOM 0 HG LEU A 74 -9.944 17.770 -10.449 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -7.713 16.744 -10.630 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.812 17.874 -9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.871 16.118 -8.972 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.707 15.492 -11.364 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -9.945 14.818 -9.735 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -11.264 15.710 -10.530 1.00 0.00 H new ATOM 1124 N LYS A 75 -10.790 18.652 -5.430 1.00 0.00 N ATOM 1125 CA LYS A 75 -11.756 19.271 -4.530 1.00 0.00 C ATOM 1126 C LYS A 75 -11.180 20.537 -3.902 1.00 0.00 C ATOM 1127 O LYS A 75 -11.777 21.610 -3.987 1.00 0.00 O ATOM 1128 CB LYS A 75 -12.166 18.286 -3.433 1.00 0.00 C ATOM 1129 CG LYS A 75 -12.495 16.898 -3.954 1.00 0.00 C ATOM 1130 CD LYS A 75 -12.243 15.833 -2.900 1.00 0.00 C ATOM 1131 CE LYS A 75 -13.429 15.689 -1.958 1.00 0.00 C ATOM 1132 NZ LYS A 75 -13.155 14.715 -0.865 1.00 0.00 N ATOM 0 H LYS A 75 -10.181 17.964 -4.986 1.00 0.00 H new ATOM 0 HA LYS A 75 -12.636 19.543 -5.113 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.359 18.210 -2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -13.034 18.682 -2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.539 16.863 -4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.892 16.687 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.045 14.878 -3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.352 16.090 -2.328 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.670 16.661 -1.527 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.304 15.365 -2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.987 14.646 -0.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.950 13.782 -1.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.336 15.037 -0.310 1.00 0.00 H new