USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 810 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 89 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 94 SER OG : rot 25:sc= 0.308 USER MOD Set 2.1: A 48 HIS : no HD1:sc= -5.96! C(o=-11!,f=-17!) USER MOD Set 2.2: A 49 CYS SG : rot -30:sc= -6.64! USER MOD Set 2.3: A 62 ASN :FLIP amide:sc= 1.71 F(o=-18!,f=-11) USER MOD Set 2.4: A 69 THR OG1 : rot 136:sc= -0.52 USER MOD Set 3.1: A 66 THR OG1 : rot 96:sc= 1.22 USER MOD Set 3.2: A 67 ASN : amide:sc= -2.45! C(o=-1.2!,f=-13!) USER MOD Single : A 1 MET CE :methyl -156:sc= -0.0798 (180deg=-0.768) USER MOD Single : A 1 MET N :NH3+ -160:sc= -0.0403 (180deg=-0.629) USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.14! USER MOD Single : A 9 THR OG1 : rot -99:sc= 1.04 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 3:sc= 0.813! USER MOD Single : A 19 HIS :FLIP no HD1:sc= -2.19! C(o=-4.2!,f=-2.2!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 49:sc= 0.0492 USER MOD Single : A 27 CYS SG : rot -130:sc= -1.84 USER MOD Single : A 35 CYS SG : rot -113:sc= -3.47! USER MOD Single : A 40 GLN : amide:sc= -3.3! C(o=-3.3!,f=-5.6!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -1.65 K(o=-1.7,f=-2.8) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 64 SER OG : rot -172:sc= -2.19! USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 72 ASN : amide:sc= -3.43! X(o=-3.4!,f=-3.1) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-17!) USER MOD Single : A 97 TYR OH : rot 180:sc= -0.177 USER MOD Single : A 99 ASN : amide:sc= -1.92! C(o=-1.9!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.261 12.743 -8.936 1.00 0.00 N ATOM 2 CA MET A 1 -12.170 12.776 -9.949 1.00 0.00 C ATOM 3 C MET A 1 -11.010 11.919 -9.460 1.00 0.00 C ATOM 4 O MET A 1 -10.885 10.753 -9.837 1.00 0.00 O ATOM 5 CB MET A 1 -11.715 14.223 -10.150 1.00 0.00 C ATOM 6 CG MET A 1 -12.852 15.018 -10.794 1.00 0.00 C ATOM 7 SD MET A 1 -12.331 16.731 -11.050 1.00 0.00 S ATOM 8 CE MET A 1 -12.373 17.243 -9.314 1.00 0.00 C ATOM 0 H1 MET A 1 -14.158 13.024 -9.382 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.351 11.780 -8.554 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.038 13.402 -8.163 1.00 0.00 H new ATOM 0 HA MET A 1 -12.527 12.381 -10.900 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.440 14.667 -9.194 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.828 14.254 -10.783 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.130 14.566 -11.746 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.736 14.988 -10.157 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.506 18.323 -9.256 1.00 0.00 H new ATOM 0 HE2 MET A 1 -13.202 16.748 -8.809 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.436 16.966 -8.830 1.00 0.00 H new ATOM 18 N TRP A 2 -10.165 12.497 -8.619 1.00 0.00 N ATOM 19 CA TRP A 2 -9.024 11.771 -8.089 1.00 0.00 C ATOM 20 C TRP A 2 -8.577 12.355 -6.747 1.00 0.00 C ATOM 21 O TRP A 2 -7.382 12.413 -6.458 1.00 0.00 O ATOM 22 CB TRP A 2 -7.872 11.846 -9.091 1.00 0.00 C ATOM 23 CG TRP A 2 -7.867 13.198 -9.726 1.00 0.00 C ATOM 24 CD1 TRP A 2 -7.348 14.312 -9.162 1.00 0.00 C ATOM 25 CD2 TRP A 2 -8.395 13.601 -11.025 1.00 0.00 C ATOM 26 NE1 TRP A 2 -7.524 15.375 -10.029 1.00 0.00 N ATOM 27 CE2 TRP A 2 -8.165 14.988 -11.190 1.00 0.00 C ATOM 28 CE3 TRP A 2 -9.045 12.909 -12.064 1.00 0.00 C ATOM 29 CZ2 TRP A 2 -8.562 15.664 -12.343 1.00 0.00 C ATOM 30 CZ3 TRP A 2 -9.446 13.587 -13.228 1.00 0.00 C ATOM 31 CH2 TRP A 2 -9.205 14.962 -13.366 1.00 0.00 C ATOM 0 H TRP A 2 -10.248 13.460 -8.292 1.00 0.00 H new ATOM 0 HA TRP A 2 -9.314 10.733 -7.929 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -6.923 11.663 -8.588 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -7.984 11.073 -9.852 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -6.874 14.363 -8.193 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -7.218 16.328 -9.835 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -9.237 11.851 -11.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -8.374 16.723 -12.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -9.942 13.046 -14.020 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -9.516 15.478 -14.262 1.00 0.00 H new ATOM 42 N PRO A 3 -9.503 12.786 -5.924 1.00 0.00 N ATOM 43 CA PRO A 3 -9.176 13.374 -4.593 1.00 0.00 C ATOM 44 C PRO A 3 -8.643 12.334 -3.616 1.00 0.00 C ATOM 45 O PRO A 3 -9.001 11.158 -3.681 1.00 0.00 O ATOM 46 CB PRO A 3 -10.510 13.944 -4.114 1.00 0.00 C ATOM 47 CG PRO A 3 -11.540 13.107 -4.785 1.00 0.00 C ATOM 48 CD PRO A 3 -10.960 12.758 -6.153 1.00 0.00 C ATOM 0 HA PRO A 3 -8.386 14.123 -4.659 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.598 13.887 -3.029 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.613 14.994 -4.387 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.750 12.207 -4.207 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.481 13.649 -4.885 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.295 11.778 -6.493 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.261 13.479 -6.913 1.00 0.00 H new ATOM 56 N THR A 4 -7.790 12.783 -2.706 1.00 0.00 N ATOM 57 CA THR A 4 -7.209 11.899 -1.703 1.00 0.00 C ATOM 58 C THR A 4 -6.337 10.830 -2.349 1.00 0.00 C ATOM 59 O THR A 4 -6.118 10.826 -3.561 1.00 0.00 O ATOM 60 CB THR A 4 -8.315 11.218 -0.891 1.00 0.00 C ATOM 61 OG1 THR A 4 -9.564 11.817 -1.196 1.00 0.00 O ATOM 62 CG2 THR A 4 -8.030 11.371 0.605 1.00 0.00 C ATOM 0 H THR A 4 -7.484 13.754 -2.641 1.00 0.00 H new ATOM 0 HA THR A 4 -6.590 12.509 -1.045 1.00 0.00 H new ATOM 0 HB THR A 4 -8.345 10.159 -1.146 1.00 0.00 H new ATOM 0 HG1 THR A 4 -10.272 11.380 -0.678 1.00 0.00 H new ATOM 0 HG21 THR A 4 -8.820 10.885 1.177 1.00 0.00 H new ATOM 0 HG22 THR A 4 -7.072 10.908 0.842 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.995 12.430 0.862 1.00 0.00 H new ATOM 70 N ARG A 5 -5.847 9.923 -1.513 1.00 0.00 N ATOM 71 CA ARG A 5 -4.996 8.833 -1.968 1.00 0.00 C ATOM 72 C ARG A 5 -5.813 7.550 -2.061 1.00 0.00 C ATOM 73 O ARG A 5 -6.769 7.365 -1.307 1.00 0.00 O ATOM 74 CB ARG A 5 -3.847 8.655 -0.980 1.00 0.00 C ATOM 75 CG ARG A 5 -2.959 9.899 -1.023 1.00 0.00 C ATOM 76 CD ARG A 5 -1.877 9.794 0.051 1.00 0.00 C ATOM 77 NE ARG A 5 -2.481 9.909 1.372 1.00 0.00 N ATOM 78 CZ ARG A 5 -1.747 9.848 2.475 1.00 0.00 C ATOM 79 NH1 ARG A 5 -0.455 9.685 2.396 1.00 0.00 N ATOM 80 NH2 ARG A 5 -2.321 9.958 3.642 1.00 0.00 N ATOM 0 H ARG A 5 -6.027 9.922 -0.509 1.00 0.00 H new ATOM 0 HA ARG A 5 -4.593 9.063 -2.954 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -4.236 8.504 0.027 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.266 7.768 -1.233 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -2.501 9.997 -2.007 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -3.561 10.793 -0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -1.354 8.842 -0.038 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.135 10.580 -0.089 1.00 0.00 H new ATOM 0 HE ARG A 5 -3.490 10.039 1.450 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -0.006 9.604 1.484 1.00 0.00 H new ATOM 0 HH12 ARG A 5 0.106 9.639 3.247 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.331 10.090 3.703 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -1.760 9.912 4.493 1.00 0.00 H new ATOM 94 N ARG A 6 -5.455 6.675 -2.994 1.00 0.00 N ATOM 95 CA ARG A 6 -6.201 5.431 -3.163 1.00 0.00 C ATOM 96 C ARG A 6 -5.287 4.232 -3.384 1.00 0.00 C ATOM 97 O ARG A 6 -4.166 4.362 -3.875 1.00 0.00 O ATOM 98 CB ARG A 6 -7.155 5.550 -4.355 1.00 0.00 C ATOM 99 CG ARG A 6 -8.270 6.541 -4.025 1.00 0.00 C ATOM 100 CD ARG A 6 -9.219 6.662 -5.220 1.00 0.00 C ATOM 101 NE ARG A 6 -8.518 7.216 -6.372 1.00 0.00 N ATOM 102 CZ ARG A 6 -8.363 8.528 -6.516 1.00 0.00 C ATOM 103 NH1 ARG A 6 -8.790 9.343 -5.593 1.00 0.00 N ATOM 104 NH2 ARG A 6 -7.767 9.000 -7.575 1.00 0.00 N ATOM 0 H ARG A 6 -4.670 6.798 -3.633 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.758 5.268 -2.240 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -6.609 5.882 -5.238 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.580 4.575 -4.592 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.819 6.207 -3.144 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.845 7.516 -3.785 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -9.625 5.682 -5.470 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.063 7.300 -4.959 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.140 6.586 -7.079 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -9.244 8.974 -4.758 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -8.670 10.350 -5.706 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -7.420 8.363 -8.292 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.647 10.007 -7.687 1.00 0.00 H new ATOM 118 N LEU A 7 -5.809 3.057 -3.048 1.00 0.00 N ATOM 119 CA LEU A 7 -5.085 1.811 -3.239 1.00 0.00 C ATOM 120 C LEU A 7 -5.768 1.028 -4.361 1.00 0.00 C ATOM 121 O LEU A 7 -6.996 0.967 -4.411 1.00 0.00 O ATOM 122 CB LEU A 7 -5.113 0.967 -1.957 1.00 0.00 C ATOM 123 CG LEU A 7 -4.329 1.629 -0.825 1.00 0.00 C ATOM 124 CD1 LEU A 7 -4.589 0.855 0.470 1.00 0.00 C ATOM 125 CD2 LEU A 7 -2.832 1.586 -1.132 1.00 0.00 C ATOM 0 H LEU A 7 -6.737 2.944 -2.640 1.00 0.00 H new ATOM 0 HA LEU A 7 -4.047 2.032 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -6.146 0.816 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.694 -0.018 -2.161 1.00 0.00 H new ATOM 0 HG LEU A 7 -4.647 2.667 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.035 1.317 1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -5.655 0.874 0.698 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.262 -0.178 0.348 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.280 2.060 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -2.511 0.549 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.636 2.118 -2.063 1.00 0.00 H new ATOM 137 N VAL A 8 -4.988 0.435 -5.258 1.00 0.00 N ATOM 138 CA VAL A 8 -5.574 -0.328 -6.357 1.00 0.00 C ATOM 139 C VAL A 8 -5.074 -1.762 -6.327 1.00 0.00 C ATOM 140 O VAL A 8 -3.877 -2.010 -6.177 1.00 0.00 O ATOM 141 CB VAL A 8 -5.231 0.320 -7.699 1.00 0.00 C ATOM 142 CG1 VAL A 8 -5.646 -0.613 -8.837 1.00 0.00 C ATOM 143 CG2 VAL A 8 -5.972 1.654 -7.835 1.00 0.00 C ATOM 0 H VAL A 8 -3.968 0.465 -5.249 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.657 -0.330 -6.237 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.157 0.499 -7.748 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.402 -0.151 -9.794 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.113 -1.559 -8.744 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -6.720 -0.795 -8.786 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.724 2.112 -8.793 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.047 1.480 -7.783 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.673 2.321 -7.026 1.00 0.00 H new ATOM 153 N THR A 9 -6.002 -2.703 -6.448 1.00 0.00 N ATOM 154 CA THR A 9 -5.648 -4.113 -6.410 1.00 0.00 C ATOM 155 C THR A 9 -5.782 -4.753 -7.783 1.00 0.00 C ATOM 156 O THR A 9 -6.861 -4.763 -8.372 1.00 0.00 O ATOM 157 CB THR A 9 -6.552 -4.844 -5.416 1.00 0.00 C ATOM 158 OG1 THR A 9 -6.453 -4.219 -4.144 1.00 0.00 O ATOM 159 CG2 THR A 9 -6.115 -6.305 -5.301 1.00 0.00 C ATOM 0 H THR A 9 -6.997 -2.516 -6.572 1.00 0.00 H new ATOM 0 HA THR A 9 -4.608 -4.193 -6.095 1.00 0.00 H new ATOM 0 HB THR A 9 -7.584 -4.803 -5.766 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.840 -4.730 -3.575 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.761 -6.823 -4.592 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.189 -6.785 -6.277 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.083 -6.350 -4.952 1.00 0.00 H new ATOM 167 N ILE A 10 -4.671 -5.284 -8.283 1.00 0.00 N ATOM 168 CA ILE A 10 -4.659 -5.928 -9.588 1.00 0.00 C ATOM 169 C ILE A 10 -5.267 -7.328 -9.486 1.00 0.00 C ATOM 170 O ILE A 10 -4.888 -8.109 -8.613 1.00 0.00 O ATOM 171 CB ILE A 10 -3.212 -6.056 -10.070 1.00 0.00 C ATOM 172 CG1 ILE A 10 -2.547 -4.680 -10.092 1.00 0.00 C ATOM 173 CG2 ILE A 10 -3.184 -6.649 -11.478 1.00 0.00 C ATOM 174 CD1 ILE A 10 -1.058 -4.853 -10.396 1.00 0.00 C ATOM 0 H ILE A 10 -3.770 -5.280 -7.804 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.241 -5.328 -10.287 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.671 -6.711 -9.387 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.015 -4.048 -10.847 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -2.680 -4.182 -9.132 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.151 -6.737 -11.815 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.648 -7.635 -11.467 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.733 -5.998 -12.158 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.574 -3.876 -10.414 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.599 -5.471 -9.625 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.938 -5.335 -11.366 1.00 0.00 H new ATOM 186 N LYS A 11 -6.198 -7.653 -10.379 1.00 0.00 N ATOM 187 CA LYS A 11 -6.812 -8.977 -10.350 1.00 0.00 C ATOM 188 C LYS A 11 -5.760 -10.049 -10.612 1.00 0.00 C ATOM 189 O LYS A 11 -5.765 -11.104 -9.979 1.00 0.00 O ATOM 190 CB LYS A 11 -7.932 -9.096 -11.391 1.00 0.00 C ATOM 191 CG LYS A 11 -9.120 -8.223 -10.974 1.00 0.00 C ATOM 192 CD LYS A 11 -10.295 -8.447 -11.933 1.00 0.00 C ATOM 193 CE LYS A 11 -10.014 -7.771 -13.276 1.00 0.00 C ATOM 194 NZ LYS A 11 -11.269 -7.729 -14.080 1.00 0.00 N ATOM 0 H LYS A 11 -6.538 -7.034 -11.115 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.245 -9.121 -9.360 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.566 -8.786 -12.370 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.247 -10.135 -11.483 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.420 -8.465 -9.955 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.830 -7.172 -10.980 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.455 -9.515 -12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.210 -8.045 -11.499 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -9.638 -6.761 -13.116 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -9.241 -8.317 -13.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.081 -7.270 -14.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -11.609 -8.698 -14.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.994 -7.190 -13.564 1.00 0.00 H new ATOM 208 N ARG A 12 -4.856 -9.773 -11.551 1.00 0.00 N ATOM 209 CA ARG A 12 -3.802 -10.726 -11.886 1.00 0.00 C ATOM 210 C ARG A 12 -2.531 -10.006 -12.329 1.00 0.00 C ATOM 211 O ARG A 12 -1.698 -9.635 -11.502 1.00 0.00 O ATOM 212 CB ARG A 12 -4.286 -11.660 -12.999 1.00 0.00 C ATOM 213 CG ARG A 12 -3.212 -12.712 -13.301 1.00 0.00 C ATOM 214 CD ARG A 12 -3.695 -13.623 -14.432 1.00 0.00 C ATOM 215 NE ARG A 12 -4.842 -14.404 -13.985 1.00 0.00 N ATOM 216 CZ ARG A 12 -5.421 -15.295 -14.782 1.00 0.00 C ATOM 217 NH1 ARG A 12 -4.954 -15.499 -15.982 1.00 0.00 N ATOM 218 NH2 ARG A 12 -6.458 -15.968 -14.367 1.00 0.00 N ATOM 0 H ARG A 12 -4.833 -8.906 -12.088 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.570 -11.309 -10.995 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.212 -12.149 -12.698 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.507 -11.085 -13.898 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.280 -12.224 -13.585 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.004 -13.302 -12.408 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.968 -13.025 -15.301 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.890 -14.289 -14.743 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.207 -14.264 -13.043 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.143 -14.974 -16.310 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.399 -16.183 -16.593 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.826 -15.811 -13.429 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.901 -16.652 -14.981 1.00 0.00 H new ATOM 232 N SER A 13 -2.381 -9.814 -13.638 1.00 0.00 N ATOM 233 CA SER A 13 -1.200 -9.141 -14.166 1.00 0.00 C ATOM 234 C SER A 13 -1.530 -8.383 -15.450 1.00 0.00 C ATOM 235 O SER A 13 -2.072 -8.955 -16.395 1.00 0.00 O ATOM 236 CB SER A 13 -0.107 -10.171 -14.454 1.00 0.00 C ATOM 237 OG SER A 13 -0.390 -10.820 -15.687 1.00 0.00 O ATOM 0 H SER A 13 -3.055 -10.111 -14.344 1.00 0.00 H new ATOM 0 HA SER A 13 -0.852 -8.427 -13.420 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.866 -9.683 -14.501 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.058 -10.902 -13.647 1.00 0.00 H new ATOM 0 HG SER A 13 -1.194 -10.427 -16.087 1.00 0.00 H new ATOM 243 N GLY A 14 -1.189 -7.097 -15.481 1.00 0.00 N ATOM 244 CA GLY A 14 -1.444 -6.277 -16.660 1.00 0.00 C ATOM 245 C GLY A 14 -2.931 -5.980 -16.816 1.00 0.00 C ATOM 246 O GLY A 14 -3.372 -5.506 -17.864 1.00 0.00 O ATOM 0 H GLY A 14 -0.739 -6.604 -14.709 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.890 -5.341 -16.582 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.078 -6.791 -17.549 1.00 0.00 H new ATOM 250 N VAL A 15 -3.699 -6.267 -15.774 1.00 0.00 N ATOM 251 CA VAL A 15 -5.134 -6.031 -15.817 1.00 0.00 C ATOM 252 C VAL A 15 -5.579 -5.167 -14.642 1.00 0.00 C ATOM 253 O VAL A 15 -5.262 -5.456 -13.488 1.00 0.00 O ATOM 254 CB VAL A 15 -5.869 -7.375 -15.797 1.00 0.00 C ATOM 255 CG1 VAL A 15 -5.727 -8.047 -17.164 1.00 0.00 C ATOM 256 CG2 VAL A 15 -5.250 -8.282 -14.729 1.00 0.00 C ATOM 0 H VAL A 15 -3.356 -6.660 -14.897 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.377 -5.497 -16.736 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.922 -7.209 -15.571 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.248 -9.004 -17.155 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.160 -7.405 -17.932 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -4.671 -8.211 -17.381 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.774 -9.238 -14.716 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.197 -8.448 -14.958 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.338 -7.806 -13.752 1.00 0.00 H new ATOM 266 N ASP A 16 -6.321 -4.105 -14.946 1.00 0.00 N ATOM 267 CA ASP A 16 -6.808 -3.212 -13.903 1.00 0.00 C ATOM 268 C ASP A 16 -7.855 -3.929 -13.064 1.00 0.00 C ATOM 269 O ASP A 16 -8.687 -4.665 -13.590 1.00 0.00 O ATOM 270 CB ASP A 16 -7.435 -1.960 -14.523 1.00 0.00 C ATOM 271 CG ASP A 16 -6.361 -1.099 -15.176 1.00 0.00 C ATOM 272 OD1 ASP A 16 -5.198 -1.313 -14.885 1.00 0.00 O ATOM 273 OD2 ASP A 16 -6.719 -0.234 -15.960 1.00 0.00 O ATOM 0 H ASP A 16 -6.594 -3.845 -15.894 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.967 -2.918 -13.276 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.181 -2.247 -15.264 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.954 -1.386 -13.755 1.00 0.00 H new ATOM 278 N GLY A 17 -7.810 -3.709 -11.760 1.00 0.00 N ATOM 279 CA GLY A 17 -8.763 -4.341 -10.858 1.00 0.00 C ATOM 280 C GLY A 17 -9.537 -3.291 -10.066 1.00 0.00 C ATOM 281 O GLY A 17 -9.462 -2.099 -10.370 1.00 0.00 O ATOM 0 H GLY A 17 -7.129 -3.102 -11.303 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.457 -4.957 -11.429 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.237 -5.005 -10.173 1.00 0.00 H new ATOM 285 N PRO A 18 -10.274 -3.702 -9.065 1.00 0.00 N ATOM 286 CA PRO A 18 -11.076 -2.769 -8.223 1.00 0.00 C ATOM 287 C PRO A 18 -10.199 -1.923 -7.315 1.00 0.00 C ATOM 288 O PRO A 18 -9.105 -2.335 -6.931 1.00 0.00 O ATOM 289 CB PRO A 18 -11.980 -3.700 -7.416 1.00 0.00 C ATOM 290 CG PRO A 18 -11.219 -4.974 -7.313 1.00 0.00 C ATOM 291 CD PRO A 18 -10.420 -5.099 -8.611 1.00 0.00 C ATOM 0 HA PRO A 18 -11.633 -2.047 -8.820 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.194 -3.287 -6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.938 -3.851 -7.914 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.557 -4.963 -6.447 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -11.893 -5.821 -7.188 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.451 -5.569 -8.442 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -10.945 -5.707 -9.348 1.00 0.00 H new ATOM 299 N HIS A 19 -10.682 -0.736 -6.977 1.00 0.00 N ATOM 300 CA HIS A 19 -9.924 0.154 -6.114 1.00 0.00 C ATOM 301 C HIS A 19 -10.378 0.018 -4.677 1.00 0.00 C ATOM 302 O HIS A 19 -11.392 -0.614 -4.386 1.00 0.00 O ATOM 303 CB HIS A 19 -10.097 1.604 -6.540 1.00 0.00 C ATOM 304 CG HIS A 19 -9.776 1.750 -7.997 1.00 0.00 C ATOM 305 ND1 HIS A 19 -8.952 1.040 -8.831 1.00 0.00 N flip ATOM 306 CD2 HIS A 19 -10.338 2.748 -8.775 1.00 0.00 C flip ATOM 307 CE1 HIS A 19 -8.998 1.587 -10.109 1.00 0.00 C flip ATOM 308 NE2 HIS A 19 -9.848 2.614 -10.019 1.00 0.00 N flip ATOM 0 H HIS A 19 -11.584 -0.371 -7.283 1.00 0.00 H new ATOM 0 HA HIS A 19 -8.874 -0.127 -6.199 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -11.120 1.928 -6.350 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -9.444 2.246 -5.949 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -11.041 3.497 -8.443 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -8.462 1.253 -10.985 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -10.095 3.222 -10.800 1.00 0.00 H new ATOM 317 N PHE A 20 -9.617 0.623 -3.783 1.00 0.00 N ATOM 318 CA PHE A 20 -9.937 0.576 -2.371 1.00 0.00 C ATOM 319 C PHE A 20 -9.727 1.949 -1.732 1.00 0.00 C ATOM 320 O PHE A 20 -8.606 2.296 -1.361 1.00 0.00 O ATOM 321 CB PHE A 20 -9.039 -0.453 -1.688 1.00 0.00 C ATOM 322 CG PHE A 20 -9.359 -0.517 -0.217 1.00 0.00 C ATOM 323 CD1 PHE A 20 -10.371 -1.368 0.237 1.00 0.00 C ATOM 324 CD2 PHE A 20 -8.643 0.271 0.693 1.00 0.00 C ATOM 325 CE1 PHE A 20 -10.670 -1.434 1.602 1.00 0.00 C ATOM 326 CE2 PHE A 20 -8.943 0.205 2.061 1.00 0.00 C ATOM 327 CZ PHE A 20 -9.957 -0.646 2.514 1.00 0.00 C ATOM 0 H PHE A 20 -8.775 1.151 -4.011 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.983 0.293 -2.250 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.183 -1.433 -2.143 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.992 -0.186 -1.830 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.922 -1.975 -0.466 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.861 0.928 0.342 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -11.451 -2.093 1.952 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -8.392 0.811 2.765 1.00 0.00 H new ATOM 0 HZ PHE A 20 -10.190 -0.695 3.567 1.00 0.00 H new ATOM 337 N PRO A 21 -10.771 2.731 -1.589 1.00 0.00 N ATOM 338 CA PRO A 21 -10.668 4.086 -0.969 1.00 0.00 C ATOM 339 C PRO A 21 -10.039 4.001 0.418 1.00 0.00 C ATOM 340 O PRO A 21 -10.234 3.021 1.134 1.00 0.00 O ATOM 341 CB PRO A 21 -12.124 4.560 -0.886 1.00 0.00 C ATOM 342 CG PRO A 21 -12.848 3.781 -1.930 1.00 0.00 C ATOM 343 CD PRO A 21 -12.150 2.427 -2.006 1.00 0.00 C ATOM 0 HA PRO A 21 -10.037 4.767 -1.540 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -12.542 4.376 0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -12.201 5.632 -1.070 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -13.900 3.663 -1.669 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -12.813 4.292 -2.892 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -12.618 1.696 -1.346 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.183 2.014 -3.014 1.00 0.00 H new ATOM 351 N LEU A 22 -9.256 5.011 0.777 1.00 0.00 N ATOM 352 CA LEU A 22 -8.575 5.008 2.069 1.00 0.00 C ATOM 353 C LEU A 22 -9.144 6.065 3.015 1.00 0.00 C ATOM 354 O LEU A 22 -9.130 7.258 2.714 1.00 0.00 O ATOM 355 CB LEU A 22 -7.085 5.266 1.838 1.00 0.00 C ATOM 356 CG LEU A 22 -6.324 5.196 3.164 1.00 0.00 C ATOM 357 CD1 LEU A 22 -6.478 3.803 3.778 1.00 0.00 C ATOM 358 CD2 LEU A 22 -4.839 5.475 2.905 1.00 0.00 C ATOM 0 H LEU A 22 -9.077 5.834 0.201 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.728 4.036 2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -6.685 4.529 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.945 6.246 1.381 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.727 5.938 3.853 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.934 3.759 4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.534 3.599 3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.076 3.057 3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.290 5.427 3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.444 4.729 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.726 6.468 2.469 1.00 0.00 H new ATOM 370 N SER A 23 -9.624 5.612 4.173 1.00 0.00 N ATOM 371 CA SER A 23 -10.176 6.521 5.176 1.00 0.00 C ATOM 372 C SER A 23 -9.443 6.330 6.500 1.00 0.00 C ATOM 373 O SER A 23 -9.156 7.294 7.209 1.00 0.00 O ATOM 374 CB SER A 23 -11.675 6.270 5.366 1.00 0.00 C ATOM 375 OG SER A 23 -12.275 6.023 4.100 1.00 0.00 O ATOM 0 H SER A 23 -9.642 4.627 4.438 1.00 0.00 H new ATOM 0 HA SER A 23 -10.040 7.546 4.832 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.832 5.418 6.028 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.142 7.133 5.841 1.00 0.00 H new ATOM 0 HG SER A 23 -13.234 5.860 4.219 1.00 0.00 H new ATOM 381 N LEU A 24 -9.127 5.076 6.812 1.00 0.00 N ATOM 382 CA LEU A 24 -8.407 4.763 8.040 1.00 0.00 C ATOM 383 C LEU A 24 -6.927 5.078 7.854 1.00 0.00 C ATOM 384 O LEU A 24 -6.360 4.818 6.794 1.00 0.00 O ATOM 385 CB LEU A 24 -8.586 3.281 8.390 1.00 0.00 C ATOM 386 CG LEU A 24 -9.941 3.073 9.079 1.00 0.00 C ATOM 387 CD1 LEU A 24 -9.906 3.661 10.496 1.00 0.00 C ATOM 388 CD2 LEU A 24 -11.038 3.767 8.264 1.00 0.00 C ATOM 0 H LEU A 24 -9.357 4.266 6.236 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.806 5.367 8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.530 2.674 7.486 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.779 2.952 9.045 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.150 2.005 9.142 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.872 3.509 10.977 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.129 3.164 11.077 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -9.692 4.728 10.442 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -12.002 3.620 8.752 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.823 4.834 8.199 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -11.071 3.341 7.261 1.00 0.00 H new ATOM 400 N SER A 25 -6.305 5.648 8.878 1.00 0.00 N ATOM 401 CA SER A 25 -4.893 5.996 8.787 1.00 0.00 C ATOM 402 C SER A 25 -4.036 4.739 8.768 1.00 0.00 C ATOM 403 O SER A 25 -2.857 4.784 8.416 1.00 0.00 O ATOM 404 CB SER A 25 -4.487 6.882 9.963 1.00 0.00 C ATOM 405 OG SER A 25 -4.688 6.175 11.180 1.00 0.00 O ATOM 0 H SER A 25 -6.747 5.876 9.768 1.00 0.00 H new ATOM 0 HA SER A 25 -4.735 6.545 7.859 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.441 7.174 9.868 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.076 7.799 9.961 1.00 0.00 H new ATOM 0 HG SER A 25 -4.426 6.742 11.935 1.00 0.00 H new ATOM 411 N THR A 26 -4.636 3.620 9.150 1.00 0.00 N ATOM 412 CA THR A 26 -3.921 2.354 9.179 1.00 0.00 C ATOM 413 C THR A 26 -4.591 1.331 8.267 1.00 0.00 C ATOM 414 O THR A 26 -5.771 1.025 8.429 1.00 0.00 O ATOM 415 CB THR A 26 -3.898 1.818 10.609 1.00 0.00 C ATOM 416 OG1 THR A 26 -5.169 2.022 11.206 1.00 0.00 O ATOM 417 CG2 THR A 26 -2.831 2.557 11.416 1.00 0.00 C ATOM 0 H THR A 26 -5.612 3.564 9.443 1.00 0.00 H new ATOM 0 HA THR A 26 -2.904 2.522 8.825 1.00 0.00 H new ATOM 0 HB THR A 26 -3.666 0.753 10.595 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.870 1.700 10.601 1.00 0.00 H new ATOM 0 HG21 THR A 26 -2.816 2.173 12.436 1.00 0.00 H new ATOM 0 HG22 THR A 26 -1.855 2.403 10.956 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.060 3.623 11.432 1.00 0.00 H new ATOM 425 N CYS A 27 -3.828 0.796 7.317 1.00 0.00 N ATOM 426 CA CYS A 27 -4.364 -0.203 6.397 1.00 0.00 C ATOM 427 C CYS A 27 -3.812 -1.584 6.747 1.00 0.00 C ATOM 428 O CYS A 27 -2.599 -1.779 6.807 1.00 0.00 O ATOM 429 CB CYS A 27 -3.995 0.163 4.961 1.00 0.00 C ATOM 430 SG CYS A 27 -5.473 0.741 4.089 1.00 0.00 S ATOM 0 H CYS A 27 -2.848 1.034 7.165 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.450 -0.225 6.488 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.230 0.939 4.957 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.573 -0.703 4.450 1.00 0.00 H new ATOM 0 HG CYS A 27 -5.582 0.113 2.956 1.00 0.00 H new ATOM 436 N LEU A 28 -4.708 -2.531 6.999 1.00 0.00 N ATOM 437 CA LEU A 28 -4.298 -3.881 7.369 1.00 0.00 C ATOM 438 C LEU A 28 -4.737 -4.901 6.313 1.00 0.00 C ATOM 439 O LEU A 28 -5.807 -4.772 5.708 1.00 0.00 O ATOM 440 CB LEU A 28 -4.894 -4.231 8.734 1.00 0.00 C ATOM 441 CG LEU A 28 -4.515 -5.661 9.139 1.00 0.00 C ATOM 442 CD1 LEU A 28 -3.002 -5.751 9.354 1.00 0.00 C ATOM 443 CD2 LEU A 28 -5.228 -6.017 10.446 1.00 0.00 C ATOM 0 H LEU A 28 -5.717 -2.391 6.954 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.210 -3.916 7.427 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.534 -3.527 9.485 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.979 -4.133 8.699 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.812 -6.353 8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.735 -6.768 9.642 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.487 -5.488 8.430 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.705 -5.061 10.144 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.963 -7.033 10.740 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.923 -5.322 11.228 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.306 -5.951 10.302 1.00 0.00 H new ATOM 455 N PHE A 29 -3.882 -5.900 6.085 1.00 0.00 N ATOM 456 CA PHE A 29 -4.155 -6.935 5.087 1.00 0.00 C ATOM 457 C PHE A 29 -4.368 -8.304 5.735 1.00 0.00 C ATOM 458 O PHE A 29 -3.652 -8.671 6.666 1.00 0.00 O ATOM 459 CB PHE A 29 -2.957 -7.042 4.146 1.00 0.00 C ATOM 460 CG PHE A 29 -2.878 -5.820 3.270 1.00 0.00 C ATOM 461 CD1 PHE A 29 -2.605 -4.567 3.832 1.00 0.00 C ATOM 462 CD2 PHE A 29 -3.072 -5.943 1.894 1.00 0.00 C ATOM 463 CE1 PHE A 29 -2.528 -3.437 3.013 1.00 0.00 C ATOM 464 CE2 PHE A 29 -2.994 -4.816 1.078 1.00 0.00 C ATOM 465 CZ PHE A 29 -2.721 -3.561 1.634 1.00 0.00 C ATOM 0 H PHE A 29 -2.996 -6.014 6.577 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.063 -6.654 4.553 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.039 -7.145 4.724 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -3.048 -7.936 3.529 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.454 -4.474 4.897 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.282 -6.910 1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.320 -2.469 3.445 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.145 -4.911 0.013 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.660 -2.690 0.999 1.00 0.00 H new ATOM 475 N GLY A 30 -5.328 -9.075 5.212 1.00 0.00 N ATOM 476 CA GLY A 30 -5.571 -10.413 5.740 1.00 0.00 C ATOM 477 C GLY A 30 -7.040 -10.817 5.673 1.00 0.00 C ATOM 478 O GLY A 30 -7.911 -10.014 5.337 1.00 0.00 O ATOM 0 H GLY A 30 -5.935 -8.800 4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.975 -11.133 5.180 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.234 -10.457 6.776 1.00 0.00 H new ATOM 482 N ARG A 31 -7.292 -12.084 6.000 1.00 0.00 N ATOM 483 CA ARG A 31 -8.645 -12.636 5.986 1.00 0.00 C ATOM 484 C ARG A 31 -9.519 -11.962 7.037 1.00 0.00 C ATOM 485 O ARG A 31 -10.717 -11.765 6.827 1.00 0.00 O ATOM 486 CB ARG A 31 -8.594 -14.151 6.242 1.00 0.00 C ATOM 487 CG ARG A 31 -7.991 -14.856 5.020 1.00 0.00 C ATOM 488 CD ARG A 31 -7.815 -16.354 5.306 1.00 0.00 C ATOM 489 NE ARG A 31 -9.111 -16.983 5.573 1.00 0.00 N ATOM 490 CZ ARG A 31 -9.196 -18.249 5.982 1.00 0.00 C ATOM 491 NH1 ARG A 31 -8.111 -18.951 6.155 1.00 0.00 N ATOM 492 NH2 ARG A 31 -10.362 -18.790 6.216 1.00 0.00 N ATOM 0 H ARG A 31 -6.572 -12.750 6.279 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.082 -12.448 5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.995 -14.361 7.128 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.597 -14.532 6.437 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.639 -14.717 4.154 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.028 -14.410 4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.338 -16.839 4.454 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.155 -16.491 6.162 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.966 -16.441 5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.198 -18.531 5.977 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.175 -19.920 6.468 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.213 -18.243 6.086 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.421 -19.759 6.529 1.00 0.00 H new ATOM 506 N GLY A 32 -8.920 -11.623 8.171 1.00 0.00 N ATOM 507 CA GLY A 32 -9.661 -10.986 9.252 1.00 0.00 C ATOM 508 C GLY A 32 -10.586 -9.893 8.726 1.00 0.00 C ATOM 509 O GLY A 32 -10.225 -9.135 7.824 1.00 0.00 O ATOM 0 H GLY A 32 -7.931 -11.777 8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.247 -11.735 9.784 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.962 -10.558 9.971 1.00 0.00 H new ATOM 513 N ILE A 33 -11.780 -9.820 9.302 1.00 0.00 N ATOM 514 CA ILE A 33 -12.762 -8.818 8.899 1.00 0.00 C ATOM 515 C ILE A 33 -12.283 -7.418 9.251 1.00 0.00 C ATOM 516 O ILE A 33 -12.583 -6.454 8.549 1.00 0.00 O ATOM 517 CB ILE A 33 -14.095 -9.083 9.593 1.00 0.00 C ATOM 518 CG1 ILE A 33 -15.068 -7.945 9.276 1.00 0.00 C ATOM 519 CG2 ILE A 33 -13.872 -9.168 11.102 1.00 0.00 C ATOM 520 CD1 ILE A 33 -16.448 -8.526 8.966 1.00 0.00 C ATOM 0 H ILE A 33 -12.092 -10.441 10.048 1.00 0.00 H new ATOM 0 HA ILE A 33 -12.890 -8.886 7.819 1.00 0.00 H new ATOM 0 HB ILE A 33 -14.514 -10.024 9.237 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -15.131 -7.260 10.122 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.705 -7.368 8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -14.823 -9.357 11.600 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -13.179 -9.980 11.322 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.455 -8.227 11.462 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -17.141 -7.716 8.740 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -16.377 -9.193 8.107 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -16.810 -9.084 9.830 1.00 0.00 H new ATOM 532 N GLU A 34 -11.541 -7.313 10.345 1.00 0.00 N ATOM 533 CA GLU A 34 -11.026 -6.026 10.786 1.00 0.00 C ATOM 534 C GLU A 34 -10.037 -5.468 9.768 1.00 0.00 C ATOM 535 O GLU A 34 -9.719 -4.279 9.793 1.00 0.00 O ATOM 536 CB GLU A 34 -10.336 -6.181 12.143 1.00 0.00 C ATOM 537 CG GLU A 34 -9.064 -7.016 11.973 1.00 0.00 C ATOM 538 CD GLU A 34 -8.424 -7.275 13.331 1.00 0.00 C ATOM 539 OE1 GLU A 34 -9.158 -7.527 14.271 1.00 0.00 O ATOM 540 OE2 GLU A 34 -7.208 -7.218 13.409 1.00 0.00 O ATOM 0 H GLU A 34 -11.284 -8.100 10.940 1.00 0.00 H new ATOM 0 HA GLU A 34 -11.861 -5.331 10.880 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.089 -5.201 12.552 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.009 -6.663 12.853 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.303 -7.963 11.488 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.361 -6.494 11.324 1.00 0.00 H new ATOM 547 N CYS A 35 -9.538 -6.334 8.885 1.00 0.00 N ATOM 548 CA CYS A 35 -8.573 -5.907 7.883 1.00 0.00 C ATOM 549 C CYS A 35 -9.192 -4.904 6.925 1.00 0.00 C ATOM 550 O CYS A 35 -10.231 -5.168 6.318 1.00 0.00 O ATOM 551 CB CYS A 35 -8.061 -7.110 7.081 1.00 0.00 C ATOM 552 SG CYS A 35 -7.699 -8.490 8.196 1.00 0.00 S ATOM 0 H CYS A 35 -9.785 -7.323 8.846 1.00 0.00 H new ATOM 0 HA CYS A 35 -7.742 -5.436 8.408 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.807 -7.412 6.346 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.163 -6.833 6.528 1.00 0.00 H new ATOM 0 HG CYS A 35 -6.418 -8.713 8.209 1.00 0.00 H new ATOM 558 N ASP A 36 -8.535 -3.760 6.774 1.00 0.00 N ATOM 559 CA ASP A 36 -9.017 -2.741 5.857 1.00 0.00 C ATOM 560 C ASP A 36 -8.964 -3.298 4.454 1.00 0.00 C ATOM 561 O ASP A 36 -9.867 -3.086 3.645 1.00 0.00 O ATOM 562 CB ASP A 36 -8.147 -1.492 5.947 1.00 0.00 C ATOM 563 CG ASP A 36 -8.623 -0.604 7.091 1.00 0.00 C ATOM 564 OD1 ASP A 36 -9.645 -0.919 7.678 1.00 0.00 O ATOM 565 OD2 ASP A 36 -7.952 0.373 7.372 1.00 0.00 O ATOM 0 H ASP A 36 -7.677 -3.519 7.270 1.00 0.00 H new ATOM 0 HA ASP A 36 -10.039 -2.467 6.117 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.106 -1.775 6.105 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -8.189 -0.941 5.007 1.00 0.00 H new ATOM 570 N ILE A 37 -7.900 -4.039 4.187 1.00 0.00 N ATOM 571 CA ILE A 37 -7.733 -4.657 2.889 1.00 0.00 C ATOM 572 C ILE A 37 -7.978 -6.151 3.038 1.00 0.00 C ATOM 573 O ILE A 37 -7.045 -6.944 3.164 1.00 0.00 O ATOM 574 CB ILE A 37 -6.320 -4.383 2.373 1.00 0.00 C ATOM 575 CG1 ILE A 37 -6.053 -2.873 2.400 1.00 0.00 C ATOM 576 CG2 ILE A 37 -6.190 -4.889 0.941 1.00 0.00 C ATOM 577 CD1 ILE A 37 -6.619 -2.206 1.142 1.00 0.00 C ATOM 0 H ILE A 37 -7.146 -4.224 4.849 1.00 0.00 H new ATOM 0 HA ILE A 37 -8.442 -4.246 2.170 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.598 -4.897 3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.507 -2.433 3.288 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.981 -2.688 2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.182 -4.692 0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.383 -5.962 0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.912 -4.375 0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -6.421 -1.135 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.145 -2.634 0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.695 -2.374 1.094 1.00 0.00 H new ATOM 589 N ARG A 38 -9.257 -6.511 3.072 1.00 0.00 N ATOM 590 CA ARG A 38 -9.665 -7.896 3.261 1.00 0.00 C ATOM 591 C ARG A 38 -9.284 -8.777 2.077 1.00 0.00 C ATOM 592 O ARG A 38 -9.610 -8.484 0.926 1.00 0.00 O ATOM 593 CB ARG A 38 -11.177 -7.942 3.497 1.00 0.00 C ATOM 594 CG ARG A 38 -11.622 -9.381 3.759 1.00 0.00 C ATOM 595 CD ARG A 38 -13.090 -9.391 4.191 1.00 0.00 C ATOM 596 NE ARG A 38 -13.939 -8.898 3.115 1.00 0.00 N ATOM 597 CZ ARG A 38 -15.232 -8.647 3.314 1.00 0.00 C ATOM 598 NH1 ARG A 38 -15.772 -8.850 4.485 1.00 0.00 N ATOM 599 NH2 ARG A 38 -15.964 -8.194 2.336 1.00 0.00 N ATOM 0 H ARG A 38 -10.033 -5.856 2.970 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.137 -8.292 4.129 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.440 -7.311 4.346 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.701 -7.543 2.629 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.493 -9.982 2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.001 -9.830 4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.389 -10.403 4.464 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.219 -8.771 5.078 1.00 0.00 H new ATOM 0 HE ARG A 38 -13.536 -8.742 2.191 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -15.203 -9.203 5.255 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -16.763 -8.656 4.630 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -15.547 -8.032 1.419 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -16.954 -8.001 2.487 1.00 0.00 H new ATOM 613 N ILE A 39 -8.597 -9.870 2.392 1.00 0.00 N ATOM 614 CA ILE A 39 -8.168 -10.830 1.383 1.00 0.00 C ATOM 615 C ILE A 39 -8.734 -12.210 1.691 1.00 0.00 C ATOM 616 O ILE A 39 -8.623 -12.692 2.815 1.00 0.00 O ATOM 617 CB ILE A 39 -6.645 -10.921 1.336 1.00 0.00 C ATOM 618 CG1 ILE A 39 -6.059 -9.590 0.856 1.00 0.00 C ATOM 619 CG2 ILE A 39 -6.253 -12.040 0.378 1.00 0.00 C ATOM 620 CD1 ILE A 39 -4.538 -9.615 1.010 1.00 0.00 C ATOM 0 H ILE A 39 -8.324 -10.113 3.344 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.539 -10.487 0.417 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.254 -11.134 2.331 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.326 -9.418 -0.187 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -6.480 -8.766 1.433 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.167 -12.117 0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.670 -12.983 0.731 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.642 -11.821 -0.616 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.122 -8.667 0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.281 -9.767 2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.125 -10.429 0.414 1.00 0.00 H new ATOM 632 N GLN A 40 -9.344 -12.847 0.698 1.00 0.00 N ATOM 633 CA GLN A 40 -9.916 -14.170 0.917 1.00 0.00 C ATOM 634 C GLN A 40 -9.005 -15.267 0.351 1.00 0.00 C ATOM 635 O GLN A 40 -9.213 -15.757 -0.759 1.00 0.00 O ATOM 636 CB GLN A 40 -11.308 -14.253 0.277 1.00 0.00 C ATOM 637 CG GLN A 40 -11.664 -12.910 -0.371 1.00 0.00 C ATOM 638 CD GLN A 40 -11.781 -11.822 0.693 1.00 0.00 C ATOM 639 OE1 GLN A 40 -12.115 -12.107 1.842 1.00 0.00 O ATOM 640 NE2 GLN A 40 -11.538 -10.579 0.369 1.00 0.00 N ATOM 0 H GLN A 40 -9.454 -12.479 -0.247 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.007 -14.329 1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.327 -15.045 -0.472 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -12.051 -14.511 1.032 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.900 -12.636 -1.098 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.605 -12.999 -0.915 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -11.261 -10.345 -0.584 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -11.625 -9.843 1.070 1.00 0.00 H new ATOM 649 N LEU A 41 -8.003 -15.652 1.143 1.00 0.00 N ATOM 650 CA LEU A 41 -7.053 -16.696 0.752 1.00 0.00 C ATOM 651 C LEU A 41 -6.473 -17.364 2.008 1.00 0.00 C ATOM 652 O LEU A 41 -5.768 -16.709 2.775 1.00 0.00 O ATOM 653 CB LEU A 41 -5.896 -16.086 -0.051 1.00 0.00 C ATOM 654 CG LEU A 41 -6.170 -16.189 -1.553 1.00 0.00 C ATOM 655 CD1 LEU A 41 -5.258 -15.212 -2.298 1.00 0.00 C ATOM 656 CD2 LEU A 41 -5.886 -17.614 -2.032 1.00 0.00 C ATOM 0 H LEU A 41 -7.827 -15.254 2.065 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.578 -17.431 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.763 -15.041 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.967 -16.602 0.191 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.214 -15.944 -1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.449 -15.281 -3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.459 -14.196 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.216 -15.462 -2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.082 -17.684 -3.102 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.843 -17.862 -1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.531 -18.312 -1.498 1.00 0.00 H new ATOM 668 N PRO A 42 -6.733 -18.634 2.247 1.00 0.00 N ATOM 669 CA PRO A 42 -6.185 -19.333 3.448 1.00 0.00 C ATOM 670 C PRO A 42 -4.673 -19.158 3.574 1.00 0.00 C ATOM 671 O PRO A 42 -4.141 -19.069 4.680 1.00 0.00 O ATOM 672 CB PRO A 42 -6.532 -20.804 3.210 1.00 0.00 C ATOM 673 CG PRO A 42 -7.702 -20.793 2.288 1.00 0.00 C ATOM 674 CD PRO A 42 -7.572 -19.534 1.430 1.00 0.00 C ATOM 0 HA PRO A 42 -6.603 -18.934 4.372 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.691 -21.339 2.770 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.775 -21.306 4.146 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -7.712 -21.687 1.665 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.637 -20.785 2.849 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.106 -19.752 0.469 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -8.546 -19.091 1.220 1.00 0.00 H new ATOM 682 N VAL A 43 -3.988 -19.118 2.437 1.00 0.00 N ATOM 683 CA VAL A 43 -2.536 -18.965 2.438 1.00 0.00 C ATOM 684 C VAL A 43 -2.114 -17.614 3.027 1.00 0.00 C ATOM 685 O VAL A 43 -1.053 -17.514 3.644 1.00 0.00 O ATOM 686 CB VAL A 43 -1.985 -19.119 1.018 1.00 0.00 C ATOM 687 CG1 VAL A 43 -2.309 -20.523 0.503 1.00 0.00 C ATOM 688 CG2 VAL A 43 -2.633 -18.088 0.095 1.00 0.00 C ATOM 0 H VAL A 43 -4.409 -19.189 1.510 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.119 -19.749 3.069 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.906 -18.965 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.919 -20.639 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.850 -21.265 1.156 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.389 -20.667 0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.237 -18.203 -0.914 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.712 -18.240 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -2.413 -17.084 0.459 1.00 0.00 H new ATOM 698 N VAL A 44 -2.937 -16.579 2.851 1.00 0.00 N ATOM 699 CA VAL A 44 -2.603 -15.259 3.395 1.00 0.00 C ATOM 700 C VAL A 44 -2.966 -15.207 4.877 1.00 0.00 C ATOM 701 O VAL A 44 -3.815 -15.970 5.336 1.00 0.00 O ATOM 702 CB VAL A 44 -3.348 -14.159 2.637 1.00 0.00 C ATOM 703 CG1 VAL A 44 -2.992 -12.798 3.241 1.00 0.00 C ATOM 704 CG2 VAL A 44 -2.930 -14.180 1.164 1.00 0.00 C ATOM 0 H VAL A 44 -3.823 -16.624 2.347 1.00 0.00 H new ATOM 0 HA VAL A 44 -1.532 -15.094 3.278 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.422 -14.328 2.715 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.521 -12.012 2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.283 -12.779 4.291 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.918 -12.634 3.159 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.461 -13.396 0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.856 -14.010 1.088 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.175 -15.149 0.730 1.00 0.00 H new ATOM 714 N SER A 45 -2.314 -14.329 5.633 1.00 0.00 N ATOM 715 CA SER A 45 -2.594 -14.247 7.070 1.00 0.00 C ATOM 716 C SER A 45 -3.524 -13.086 7.410 1.00 0.00 C ATOM 717 O SER A 45 -3.621 -12.114 6.665 1.00 0.00 O ATOM 718 CB SER A 45 -1.289 -14.089 7.847 1.00 0.00 C ATOM 719 OG SER A 45 -0.638 -15.348 7.935 1.00 0.00 O ATOM 0 H SER A 45 -1.606 -13.679 5.291 1.00 0.00 H new ATOM 0 HA SER A 45 -3.094 -15.173 7.354 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.642 -13.366 7.350 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.492 -13.701 8.845 1.00 0.00 H new ATOM 0 HG SER A 45 0.201 -15.249 8.432 1.00 0.00 H new ATOM 725 N LYS A 46 -4.185 -13.190 8.566 1.00 0.00 N ATOM 726 CA LYS A 46 -5.084 -12.137 9.026 1.00 0.00 C ATOM 727 C LYS A 46 -4.287 -10.846 9.180 1.00 0.00 C ATOM 728 O LYS A 46 -4.764 -9.756 8.867 1.00 0.00 O ATOM 729 CB LYS A 46 -5.697 -12.520 10.377 1.00 0.00 C ATOM 730 CG LYS A 46 -6.628 -13.723 10.204 1.00 0.00 C ATOM 731 CD LYS A 46 -7.239 -14.093 11.559 1.00 0.00 C ATOM 732 CE LYS A 46 -8.189 -15.284 11.391 1.00 0.00 C ATOM 733 NZ LYS A 46 -8.770 -15.645 12.717 1.00 0.00 N ATOM 0 H LYS A 46 -4.113 -13.990 9.195 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.886 -12.001 8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.908 -12.759 11.090 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.251 -11.676 10.787 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.417 -13.487 9.490 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.074 -14.570 9.799 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.450 -14.342 12.268 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.779 -13.240 11.970 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.984 -15.033 10.689 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.652 -16.135 10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.415 -16.453 12.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.005 -15.901 13.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.296 -14.833 13.098 1.00 0.00 H new ATOM 747 N GLN A 47 -3.056 -10.999 9.652 1.00 0.00 N ATOM 748 CA GLN A 47 -2.155 -9.869 9.833 1.00 0.00 C ATOM 749 C GLN A 47 -0.966 -10.044 8.897 1.00 0.00 C ATOM 750 O GLN A 47 0.189 -9.985 9.318 1.00 0.00 O ATOM 751 CB GLN A 47 -1.661 -9.816 11.282 1.00 0.00 C ATOM 752 CG GLN A 47 -2.704 -9.126 12.166 1.00 0.00 C ATOM 753 CD GLN A 47 -3.942 -10.005 12.299 1.00 0.00 C ATOM 754 OE1 GLN A 47 -3.830 -11.208 12.537 1.00 0.00 O ATOM 755 NE2 GLN A 47 -5.124 -9.472 12.155 1.00 0.00 N ATOM 0 H GLN A 47 -2.658 -11.900 9.917 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.680 -8.941 9.608 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.473 -10.825 11.648 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.715 -9.277 11.333 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.282 -8.927 13.151 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.977 -8.163 11.735 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.213 -8.475 11.958 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.959 -10.052 12.240 1.00 0.00 H new ATOM 764 N HIS A 48 -1.263 -10.305 7.629 1.00 0.00 N ATOM 765 CA HIS A 48 -0.220 -10.544 6.638 1.00 0.00 C ATOM 766 C HIS A 48 0.688 -9.331 6.459 1.00 0.00 C ATOM 767 O HIS A 48 1.912 -9.448 6.511 1.00 0.00 O ATOM 768 CB HIS A 48 -0.873 -10.868 5.298 1.00 0.00 C ATOM 769 CG HIS A 48 0.127 -11.542 4.409 1.00 0.00 C ATOM 770 ND1 HIS A 48 0.252 -12.918 4.357 1.00 0.00 N ATOM 771 CD2 HIS A 48 1.061 -11.047 3.537 1.00 0.00 C ATOM 772 CE1 HIS A 48 1.229 -13.198 3.478 1.00 0.00 C ATOM 773 NE2 HIS A 48 1.756 -12.098 2.954 1.00 0.00 N ATOM 0 H HIS A 48 -2.214 -10.356 7.264 1.00 0.00 H new ATOM 0 HA HIS A 48 0.390 -11.375 6.990 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.737 -11.515 5.449 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.237 -9.955 4.828 1.00 0.00 H new ATOM 0 HD2 HIS A 48 1.230 -10.000 3.334 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.548 -14.199 3.228 1.00 0.00 H new ATOM 0 HE2 HIS A 48 2.510 -12.038 2.270 1.00 0.00 H new ATOM 782 N CYS A 49 0.085 -8.172 6.231 1.00 0.00 N ATOM 783 CA CYS A 49 0.852 -6.956 6.027 1.00 0.00 C ATOM 784 C CYS A 49 0.023 -5.731 6.378 1.00 0.00 C ATOM 785 O CYS A 49 -1.205 -5.797 6.429 1.00 0.00 O ATOM 786 CB CYS A 49 1.298 -6.888 4.573 1.00 0.00 C ATOM 787 SG CYS A 49 2.957 -6.175 4.476 1.00 0.00 S ATOM 0 H CYS A 49 -0.927 -8.051 6.183 1.00 0.00 H new ATOM 0 HA CYS A 49 1.725 -6.971 6.680 1.00 0.00 H new ATOM 0 HB2 CYS A 49 1.295 -7.886 4.135 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.598 -6.284 3.996 1.00 0.00 H new ATOM 0 HG CYS A 49 3.130 -5.342 5.459 1.00 0.00 H new ATOM 793 N LYS A 50 0.701 -4.618 6.642 1.00 0.00 N ATOM 794 CA LYS A 50 0.000 -3.394 7.017 1.00 0.00 C ATOM 795 C LYS A 50 0.613 -2.158 6.384 1.00 0.00 C ATOM 796 O LYS A 50 1.816 -1.922 6.482 1.00 0.00 O ATOM 797 CB LYS A 50 0.033 -3.258 8.544 1.00 0.00 C ATOM 798 CG LYS A 50 -0.275 -1.827 9.001 1.00 0.00 C ATOM 799 CD LYS A 50 -0.303 -1.788 10.532 1.00 0.00 C ATOM 800 CE LYS A 50 -0.635 -0.376 11.008 1.00 0.00 C ATOM 801 NZ LYS A 50 -0.730 -0.373 12.494 1.00 0.00 N ATOM 0 H LYS A 50 1.717 -4.537 6.605 1.00 0.00 H new ATOM 0 HA LYS A 50 -1.025 -3.467 6.653 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.692 -3.943 8.985 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.015 -3.553 8.913 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.480 -1.139 8.621 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.234 -1.501 8.598 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.044 -2.492 10.909 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.663 -2.098 10.930 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.134 0.322 10.679 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.576 -0.043 10.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.956 0.586 12.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -1.479 -1.029 12.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.179 -0.675 12.901 1.00 0.00 H new ATOM 815 N ILE A 51 -0.240 -1.347 5.775 1.00 0.00 N ATOM 816 CA ILE A 51 0.211 -0.106 5.176 1.00 0.00 C ATOM 817 C ILE A 51 -0.188 1.052 6.086 1.00 0.00 C ATOM 818 O ILE A 51 -1.375 1.327 6.266 1.00 0.00 O ATOM 819 CB ILE A 51 -0.415 0.086 3.797 1.00 0.00 C ATOM 820 CG1 ILE A 51 0.076 -1.014 2.859 1.00 0.00 C ATOM 821 CG2 ILE A 51 -0.007 1.450 3.238 1.00 0.00 C ATOM 822 CD1 ILE A 51 -0.696 -0.940 1.543 1.00 0.00 C ATOM 0 H ILE A 51 -1.240 -1.527 5.684 1.00 0.00 H new ATOM 0 HA ILE A 51 1.294 -0.138 5.059 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.501 0.037 3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.144 -0.899 2.674 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.064 -1.991 3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.454 1.588 2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.355 2.237 3.908 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.079 1.499 3.154 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.347 -1.725 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.760 -1.075 1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.533 0.033 1.080 1.00 0.00 H new ATOM 834 N GLU A 52 0.803 1.723 6.665 1.00 0.00 N ATOM 835 CA GLU A 52 0.530 2.844 7.560 1.00 0.00 C ATOM 836 C GLU A 52 0.735 4.163 6.829 1.00 0.00 C ATOM 837 O GLU A 52 1.793 4.404 6.249 1.00 0.00 O ATOM 838 CB GLU A 52 1.450 2.786 8.779 1.00 0.00 C ATOM 839 CG GLU A 52 1.088 3.920 9.742 1.00 0.00 C ATOM 840 CD GLU A 52 1.996 3.866 10.966 1.00 0.00 C ATOM 841 OE1 GLU A 52 2.654 2.855 11.145 1.00 0.00 O ATOM 842 OE2 GLU A 52 2.024 4.838 11.702 1.00 0.00 O ATOM 0 H GLU A 52 1.793 1.514 6.533 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.506 2.776 7.892 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.349 1.823 9.279 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.491 2.876 8.468 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.194 4.882 9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.045 3.832 10.047 1.00 0.00 H new ATOM 849 N ILE A 53 -0.293 5.000 6.843 1.00 0.00 N ATOM 850 CA ILE A 53 -0.240 6.279 6.162 1.00 0.00 C ATOM 851 C ILE A 53 0.321 7.380 7.066 1.00 0.00 C ATOM 852 O ILE A 53 -0.048 7.500 8.235 1.00 0.00 O ATOM 853 CB ILE A 53 -1.655 6.628 5.687 1.00 0.00 C ATOM 854 CG1 ILE A 53 -1.586 7.282 4.313 1.00 0.00 C ATOM 855 CG2 ILE A 53 -2.327 7.590 6.672 1.00 0.00 C ATOM 856 CD1 ILE A 53 -1.132 6.253 3.271 1.00 0.00 C ATOM 0 H ILE A 53 -1.174 4.812 7.321 1.00 0.00 H new ATOM 0 HA ILE A 53 0.435 6.205 5.309 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.241 5.711 5.631 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -2.563 7.682 4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.892 8.122 4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.331 7.828 6.320 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.388 7.121 7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.741 8.506 6.743 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.084 6.725 2.290 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.146 5.874 3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.843 5.427 3.242 1.00 0.00 H new ATOM 868 N HIS A 54 1.217 8.188 6.500 1.00 0.00 N ATOM 869 CA HIS A 54 1.832 9.292 7.231 1.00 0.00 C ATOM 870 C HIS A 54 1.351 10.621 6.646 1.00 0.00 C ATOM 871 O HIS A 54 0.530 10.633 5.729 1.00 0.00 O ATOM 872 CB HIS A 54 3.360 9.199 7.146 1.00 0.00 C ATOM 873 CG HIS A 54 3.894 8.365 8.286 1.00 0.00 C ATOM 874 ND1 HIS A 54 4.498 8.936 9.399 1.00 0.00 N ATOM 875 CD2 HIS A 54 3.929 7.006 8.501 1.00 0.00 C ATOM 876 CE1 HIS A 54 4.866 7.935 10.221 1.00 0.00 C ATOM 877 NE2 HIS A 54 4.543 6.740 9.723 1.00 0.00 N ATOM 0 H HIS A 54 1.533 8.097 5.534 1.00 0.00 H new ATOM 0 HA HIS A 54 1.540 9.234 8.280 1.00 0.00 H new ATOM 0 HB2 HIS A 54 3.653 8.757 6.194 1.00 0.00 H new ATOM 0 HB3 HIS A 54 3.795 10.198 7.181 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.540 6.259 7.825 1.00 0.00 H new ATOM 0 HE1 HIS A 54 5.363 8.082 11.169 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.710 5.827 10.146 1.00 0.00 H new ATOM 886 N GLU A 55 1.845 11.733 7.184 1.00 0.00 N ATOM 887 CA GLU A 55 1.426 13.055 6.710 1.00 0.00 C ATOM 888 C GLU A 55 1.169 13.043 5.201 1.00 0.00 C ATOM 889 O GLU A 55 0.107 13.468 4.745 1.00 0.00 O ATOM 890 CB GLU A 55 2.508 14.091 7.046 1.00 0.00 C ATOM 891 CG GLU A 55 1.975 15.514 6.831 1.00 0.00 C ATOM 892 CD GLU A 55 1.021 15.897 7.958 1.00 0.00 C ATOM 893 OE1 GLU A 55 0.826 15.084 8.847 1.00 0.00 O ATOM 894 OE2 GLU A 55 0.490 16.995 7.911 1.00 0.00 O ATOM 0 H GLU A 55 2.529 11.749 7.941 1.00 0.00 H new ATOM 0 HA GLU A 55 0.495 13.321 7.212 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.828 13.969 8.081 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.385 13.926 6.420 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.805 16.219 6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.460 15.576 5.872 1.00 0.00 H new ATOM 901 N GLN A 56 2.136 12.555 4.427 1.00 0.00 N ATOM 902 CA GLN A 56 1.983 12.497 2.970 1.00 0.00 C ATOM 903 C GLN A 56 2.697 11.279 2.383 1.00 0.00 C ATOM 904 O GLN A 56 3.084 11.287 1.214 1.00 0.00 O ATOM 905 CB GLN A 56 2.536 13.774 2.326 1.00 0.00 C ATOM 906 CG GLN A 56 1.591 14.947 2.601 1.00 0.00 C ATOM 907 CD GLN A 56 2.194 16.239 2.061 1.00 0.00 C ATOM 908 OE1 GLN A 56 3.271 16.221 1.462 1.00 0.00 O ATOM 909 NE2 GLN A 56 1.558 17.364 2.231 1.00 0.00 N ATOM 0 H GLN A 56 3.025 12.197 4.776 1.00 0.00 H new ATOM 0 HA GLN A 56 0.918 12.410 2.753 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.527 13.993 2.724 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.649 13.631 1.251 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.624 14.763 2.132 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.414 15.039 3.673 1.00 0.00 H new ATOM 0 HE21 GLN A 56 0.667 17.376 2.727 1.00 0.00 H new ATOM 0 HE22 GLN A 56 1.951 18.232 1.868 1.00 0.00 H new ATOM 918 N GLU A 57 2.882 10.239 3.191 1.00 0.00 N ATOM 919 CA GLU A 57 3.569 9.041 2.708 1.00 0.00 C ATOM 920 C GLU A 57 2.924 7.766 3.242 1.00 0.00 C ATOM 921 O GLU A 57 2.280 7.770 4.290 1.00 0.00 O ATOM 922 CB GLU A 57 5.041 9.081 3.131 1.00 0.00 C ATOM 923 CG GLU A 57 5.771 7.846 2.589 1.00 0.00 C ATOM 924 CD GLU A 57 7.256 7.925 2.924 1.00 0.00 C ATOM 925 OE1 GLU A 57 7.699 8.990 3.323 1.00 0.00 O ATOM 926 OE2 GLU A 57 7.931 6.920 2.769 1.00 0.00 O ATOM 0 H GLU A 57 2.574 10.198 4.163 1.00 0.00 H new ATOM 0 HA GLU A 57 3.491 9.031 1.621 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.513 9.988 2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.116 9.111 4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.341 6.942 3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.637 7.780 1.509 1.00 0.00 H new ATOM 933 N ALA A 58 3.127 6.669 2.515 1.00 0.00 N ATOM 934 CA ALA A 58 2.591 5.377 2.921 1.00 0.00 C ATOM 935 C ALA A 58 3.737 4.480 3.385 1.00 0.00 C ATOM 936 O ALA A 58 4.794 4.451 2.758 1.00 0.00 O ATOM 937 CB ALA A 58 1.862 4.723 1.747 1.00 0.00 C ATOM 0 H ALA A 58 3.658 6.652 1.644 1.00 0.00 H new ATOM 0 HA ALA A 58 1.885 5.518 3.739 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.464 3.757 2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.043 5.366 1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.558 4.579 0.921 1.00 0.00 H new ATOM 943 N ILE A 59 3.540 3.770 4.494 1.00 0.00 N ATOM 944 CA ILE A 59 4.591 2.904 5.028 1.00 0.00 C ATOM 945 C ILE A 59 4.080 1.469 5.213 1.00 0.00 C ATOM 946 O ILE A 59 3.020 1.251 5.799 1.00 0.00 O ATOM 947 CB ILE A 59 5.076 3.480 6.359 1.00 0.00 C ATOM 948 CG1 ILE A 59 5.550 4.927 6.133 1.00 0.00 C ATOM 949 CG2 ILE A 59 6.225 2.631 6.907 1.00 0.00 C ATOM 950 CD1 ILE A 59 6.715 4.972 5.132 1.00 0.00 C ATOM 0 H ILE A 59 2.675 3.776 5.035 1.00 0.00 H new ATOM 0 HA ILE A 59 5.420 2.866 4.321 1.00 0.00 H new ATOM 0 HB ILE A 59 4.261 3.471 7.083 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.722 5.531 5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 59 5.863 5.364 7.081 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.565 3.048 7.855 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.880 1.609 7.063 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.050 2.631 6.194 1.00 0.00 H new ATOM 0 HD11 ILE A 59 7.032 6.005 4.989 1.00 0.00 H new ATOM 0 HD12 ILE A 59 7.549 4.386 5.518 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.391 4.557 4.178 1.00 0.00 H new ATOM 962 N LEU A 60 4.844 0.494 4.707 1.00 0.00 N ATOM 963 CA LEU A 60 4.461 -0.919 4.815 1.00 0.00 C ATOM 964 C LEU A 60 4.923 -1.505 6.142 1.00 0.00 C ATOM 965 O LEU A 60 5.993 -1.157 6.647 1.00 0.00 O ATOM 966 CB LEU A 60 5.074 -1.718 3.665 1.00 0.00 C ATOM 967 CG LEU A 60 4.622 -3.182 3.747 1.00 0.00 C ATOM 968 CD1 LEU A 60 3.122 -3.287 3.465 1.00 0.00 C ATOM 969 CD2 LEU A 60 5.388 -4.001 2.710 1.00 0.00 C ATOM 0 H LEU A 60 5.726 0.656 4.221 1.00 0.00 H new ATOM 0 HA LEU A 60 3.374 -0.981 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.772 -1.288 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.162 -1.661 3.710 1.00 0.00 H new ATOM 0 HG LEU A 60 4.823 -3.563 4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.812 -4.330 3.526 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.571 -2.702 4.201 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.912 -2.904 2.466 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.071 -5.043 2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.183 -3.610 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.457 -3.936 2.912 1.00 0.00 H new ATOM 981 N HIS A 61 4.107 -2.400 6.697 1.00 0.00 N ATOM 982 CA HIS A 61 4.423 -3.032 7.964 1.00 0.00 C ATOM 983 C HIS A 61 4.132 -4.529 7.902 1.00 0.00 C ATOM 984 O HIS A 61 3.094 -5.000 8.365 1.00 0.00 O ATOM 985 CB HIS A 61 3.602 -2.366 9.069 1.00 0.00 C ATOM 986 CG HIS A 61 4.341 -1.163 9.569 1.00 0.00 C ATOM 987 ND1 HIS A 61 5.389 -1.263 10.469 1.00 0.00 N ATOM 988 CD2 HIS A 61 4.203 0.173 9.296 1.00 0.00 C ATOM 989 CE1 HIS A 61 5.838 -0.017 10.703 1.00 0.00 C ATOM 990 NE2 HIS A 61 5.151 0.896 10.013 1.00 0.00 N ATOM 0 H HIS A 61 3.224 -2.700 6.284 1.00 0.00 H new ATOM 0 HA HIS A 61 5.484 -2.909 8.179 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.623 -2.075 8.687 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.430 -3.068 9.885 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.470 0.599 8.627 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.656 0.217 11.369 1.00 0.00 H new ATOM 0 HE2 HIS A 61 5.291 1.906 10.012 1.00 0.00 H new ATOM 999 N ASN A 62 5.064 -5.256 7.301 1.00 0.00 N ATOM 1000 CA ASN A 62 4.946 -6.699 7.133 1.00 0.00 C ATOM 1001 C ASN A 62 5.201 -7.460 8.434 1.00 0.00 C ATOM 1002 O ASN A 62 6.201 -7.237 9.118 1.00 0.00 O ATOM 1003 CB ASN A 62 5.940 -7.168 6.077 1.00 0.00 C ATOM 1004 CG ASN A 62 5.917 -8.688 5.993 1.00 0.00 C ATOM 1005 OD1 ASN A 62 5.075 -9.275 5.191 1.00 0.00 O flip ATOM 1006 ND2 ASN A 62 6.687 -9.357 6.680 1.00 0.00 N flip ATOM 0 H ASN A 62 5.923 -4.863 6.916 1.00 0.00 H new ATOM 0 HA ASN A 62 3.923 -6.909 6.822 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.688 -6.736 5.108 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.943 -6.823 6.328 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.345 -8.894 7.307 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.668 -10.375 6.623 1.00 0.00 H new ATOM 1013 N PHE A 63 4.281 -8.367 8.757 1.00 0.00 N ATOM 1014 CA PHE A 63 4.390 -9.183 9.969 1.00 0.00 C ATOM 1015 C PHE A 63 4.753 -10.624 9.625 1.00 0.00 C ATOM 1016 O PHE A 63 5.449 -11.304 10.378 1.00 0.00 O ATOM 1017 CB PHE A 63 3.048 -9.214 10.694 1.00 0.00 C ATOM 1018 CG PHE A 63 2.465 -7.833 10.754 1.00 0.00 C ATOM 1019 CD1 PHE A 63 1.683 -7.362 9.693 1.00 0.00 C ATOM 1020 CD2 PHE A 63 2.682 -7.030 11.879 1.00 0.00 C ATOM 1021 CE1 PHE A 63 1.116 -6.093 9.760 1.00 0.00 C ATOM 1022 CE2 PHE A 63 2.119 -5.754 11.943 1.00 0.00 C ATOM 1023 CZ PHE A 63 1.335 -5.284 10.887 1.00 0.00 C ATOM 0 H PHE A 63 3.450 -8.557 8.197 1.00 0.00 H new ATOM 0 HA PHE A 63 5.166 -8.741 10.595 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.362 -9.885 10.178 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.179 -9.606 11.702 1.00 0.00 H new ATOM 0 HD1 PHE A 63 1.520 -7.982 8.824 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.284 -7.397 12.697 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.507 -5.730 8.945 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.290 -5.131 12.808 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.897 -4.298 10.937 1.00 0.00 H new ATOM 1033 N SER A 64 4.229 -11.091 8.498 1.00 0.00 N ATOM 1034 CA SER A 64 4.443 -12.467 8.065 1.00 0.00 C ATOM 1035 C SER A 64 5.924 -12.794 7.890 1.00 0.00 C ATOM 1036 O SER A 64 6.702 -11.982 7.387 1.00 0.00 O ATOM 1037 CB SER A 64 3.714 -12.699 6.741 1.00 0.00 C ATOM 1038 OG SER A 64 3.747 -14.083 6.421 1.00 0.00 O ATOM 0 H SER A 64 3.652 -10.536 7.866 1.00 0.00 H new ATOM 0 HA SER A 64 4.049 -13.123 8.841 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.682 -12.356 6.816 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.185 -12.119 5.947 1.00 0.00 H new ATOM 0 HG SER A 64 3.391 -14.219 5.518 1.00 0.00 H new ATOM 1044 N SER A 65 6.297 -14.005 8.303 1.00 0.00 N ATOM 1045 CA SER A 65 7.676 -14.460 8.185 1.00 0.00 C ATOM 1046 C SER A 65 7.774 -15.560 7.134 1.00 0.00 C ATOM 1047 O SER A 65 8.553 -15.461 6.186 1.00 0.00 O ATOM 1048 CB SER A 65 8.174 -14.992 9.531 1.00 0.00 C ATOM 1049 OG SER A 65 9.533 -15.391 9.405 1.00 0.00 O ATOM 0 H SER A 65 5.662 -14.685 8.721 1.00 0.00 H new ATOM 0 HA SER A 65 8.297 -13.616 7.883 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.079 -14.222 10.297 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.563 -15.837 9.850 1.00 0.00 H new ATOM 0 HG SER A 65 9.855 -15.731 10.266 1.00 0.00 H new ATOM 1055 N THR A 66 6.966 -16.605 7.303 1.00 0.00 N ATOM 1056 CA THR A 66 6.963 -17.712 6.353 1.00 0.00 C ATOM 1057 C THR A 66 6.408 -17.237 5.017 1.00 0.00 C ATOM 1058 O THR A 66 6.875 -17.645 3.953 1.00 0.00 O ATOM 1059 CB THR A 66 6.110 -18.866 6.887 1.00 0.00 C ATOM 1060 OG1 THR A 66 4.768 -18.422 7.059 1.00 0.00 O ATOM 1061 CG2 THR A 66 6.665 -19.337 8.233 1.00 0.00 C ATOM 0 H THR A 66 6.313 -16.707 8.080 1.00 0.00 H new ATOM 0 HA THR A 66 7.985 -18.065 6.217 1.00 0.00 H new ATOM 0 HB THR A 66 6.135 -19.692 6.176 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.241 -18.660 6.268 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.056 -20.158 8.610 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.693 -19.677 8.104 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.642 -18.512 8.945 1.00 0.00 H new ATOM 1069 N ASN A 67 5.420 -16.352 5.089 1.00 0.00 N ATOM 1070 CA ASN A 67 4.810 -15.793 3.891 1.00 0.00 C ATOM 1071 C ASN A 67 4.973 -14.275 3.897 1.00 0.00 C ATOM 1072 O ASN A 67 4.024 -13.552 4.195 1.00 0.00 O ATOM 1073 CB ASN A 67 3.311 -16.108 3.865 1.00 0.00 C ATOM 1074 CG ASN A 67 3.031 -17.544 4.288 1.00 0.00 C ATOM 1075 OD1 ASN A 67 3.953 -18.303 4.591 1.00 0.00 O ATOM 1076 ND2 ASN A 67 1.792 -17.958 4.329 1.00 0.00 N ATOM 0 H ASN A 67 5.026 -16.007 5.964 1.00 0.00 H new ATOM 0 HA ASN A 67 5.298 -16.229 3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.783 -15.423 4.529 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.921 -15.942 2.861 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.583 -18.915 4.613 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.034 -17.324 4.077 1.00 0.00 H new ATOM 1083 N PRO A 68 6.139 -13.773 3.591 1.00 0.00 N ATOM 1084 CA PRO A 68 6.384 -12.304 3.578 1.00 0.00 C ATOM 1085 C PRO A 68 5.769 -11.602 2.378 1.00 0.00 C ATOM 1086 O PRO A 68 5.690 -12.163 1.284 1.00 0.00 O ATOM 1087 CB PRO A 68 7.905 -12.203 3.542 1.00 0.00 C ATOM 1088 CG PRO A 68 8.333 -13.422 2.799 1.00 0.00 C ATOM 1089 CD PRO A 68 7.353 -14.524 3.209 1.00 0.00 C ATOM 0 HA PRO A 68 5.926 -11.814 4.437 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.232 -11.294 3.038 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.327 -12.180 4.547 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.305 -13.254 1.722 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.357 -13.695 3.052 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.158 -15.214 2.389 1.00 0.00 H new ATOM 0 HD3 PRO A 68 7.738 -15.116 4.039 1.00 0.00 H new ATOM 1097 N THR A 69 5.371 -10.356 2.587 1.00 0.00 N ATOM 1098 CA THR A 69 4.805 -9.557 1.520 1.00 0.00 C ATOM 1099 C THR A 69 5.936 -9.190 0.567 1.00 0.00 C ATOM 1100 O THR A 69 7.106 -9.301 0.927 1.00 0.00 O ATOM 1101 CB THR A 69 4.148 -8.316 2.129 1.00 0.00 C ATOM 1102 OG1 THR A 69 3.042 -8.718 2.921 1.00 0.00 O ATOM 1103 CG2 THR A 69 3.656 -7.374 1.037 1.00 0.00 C ATOM 0 H THR A 69 5.431 -9.880 3.487 1.00 0.00 H new ATOM 0 HA THR A 69 4.040 -10.101 0.966 1.00 0.00 H new ATOM 0 HB THR A 69 4.886 -7.794 2.739 1.00 0.00 H new ATOM 0 HG1 THR A 69 3.046 -8.220 3.765 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.193 -6.499 1.493 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.499 -7.059 0.421 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.924 -7.889 0.415 1.00 0.00 H new ATOM 1111 N GLN A 70 5.604 -8.810 -0.652 1.00 0.00 N ATOM 1112 CA GLN A 70 6.635 -8.498 -1.630 1.00 0.00 C ATOM 1113 C GLN A 70 6.436 -7.121 -2.243 1.00 0.00 C ATOM 1114 O GLN A 70 5.310 -6.682 -2.469 1.00 0.00 O ATOM 1115 CB GLN A 70 6.626 -9.568 -2.715 1.00 0.00 C ATOM 1116 CG GLN A 70 7.079 -10.895 -2.103 1.00 0.00 C ATOM 1117 CD GLN A 70 6.960 -12.019 -3.123 1.00 0.00 C ATOM 1118 OE1 GLN A 70 5.861 -12.320 -3.590 1.00 0.00 O ATOM 1119 NE2 GLN A 70 8.031 -12.663 -3.491 1.00 0.00 N ATOM 0 H GLN A 70 4.646 -8.710 -0.988 1.00 0.00 H new ATOM 0 HA GLN A 70 7.600 -8.486 -1.124 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.626 -9.669 -3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.289 -9.283 -3.532 1.00 0.00 H new ATOM 0 HG2 GLN A 70 8.111 -10.812 -1.763 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.472 -11.125 -1.227 1.00 0.00 H new ATOM 0 HE21 GLN A 70 8.938 -12.409 -3.101 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.962 -13.421 -4.170 1.00 0.00 H new ATOM 1128 N VAL A 71 7.550 -6.450 -2.505 1.00 0.00 N ATOM 1129 CA VAL A 71 7.507 -5.113 -3.093 1.00 0.00 C ATOM 1130 C VAL A 71 8.341 -5.025 -4.363 1.00 0.00 C ATOM 1131 O VAL A 71 9.490 -5.465 -4.401 1.00 0.00 O ATOM 1132 CB VAL A 71 8.012 -4.080 -2.089 1.00 0.00 C ATOM 1133 CG1 VAL A 71 8.375 -2.784 -2.822 1.00 0.00 C ATOM 1134 CG2 VAL A 71 6.906 -3.780 -1.079 1.00 0.00 C ATOM 0 H VAL A 71 8.489 -6.804 -2.322 1.00 0.00 H new ATOM 0 HA VAL A 71 6.468 -4.907 -3.351 1.00 0.00 H new ATOM 0 HB VAL A 71 8.891 -4.473 -1.579 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.735 -2.048 -2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 71 9.155 -2.987 -3.555 1.00 0.00 H new ATOM 0 HG13 VAL A 71 7.493 -2.394 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.261 -3.043 -0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.034 -3.387 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.633 -4.696 -0.555 1.00 0.00 H new ATOM 1144 N ASN A 72 7.755 -4.436 -5.397 1.00 0.00 N ATOM 1145 CA ASN A 72 8.450 -4.271 -6.663 1.00 0.00 C ATOM 1146 C ASN A 72 9.184 -5.551 -7.052 1.00 0.00 C ATOM 1147 O ASN A 72 10.189 -5.504 -7.763 1.00 0.00 O ATOM 1148 CB ASN A 72 9.445 -3.110 -6.559 1.00 0.00 C ATOM 1149 CG ASN A 72 8.702 -1.774 -6.553 1.00 0.00 C ATOM 1150 OD1 ASN A 72 7.831 -1.545 -7.393 1.00 0.00 O ATOM 1151 ND2 ASN A 72 9.001 -0.870 -5.658 1.00 0.00 N ATOM 0 H ASN A 72 6.804 -4.067 -5.383 1.00 0.00 H new ATOM 0 HA ASN A 72 7.713 -4.051 -7.436 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.036 -3.209 -5.649 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.142 -3.143 -7.397 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.513 0.026 -5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 72 9.722 -1.060 -4.962 1.00 0.00 H new ATOM 1158 N GLY A 73 8.673 -6.692 -6.600 1.00 0.00 N ATOM 1159 CA GLY A 73 9.289 -7.975 -6.927 1.00 0.00 C ATOM 1160 C GLY A 73 10.448 -8.306 -5.989 1.00 0.00 C ATOM 1161 O GLY A 73 11.314 -9.115 -6.321 1.00 0.00 O ATOM 0 H GLY A 73 7.842 -6.756 -6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.538 -8.763 -6.869 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.649 -7.953 -7.956 1.00 0.00 H new ATOM 1165 N SER A 74 10.457 -7.683 -4.817 1.00 0.00 N ATOM 1166 CA SER A 74 11.513 -7.929 -3.837 1.00 0.00 C ATOM 1167 C SER A 74 10.908 -8.443 -2.532 1.00 0.00 C ATOM 1168 O SER A 74 9.832 -8.005 -2.128 1.00 0.00 O ATOM 1169 CB SER A 74 12.290 -6.639 -3.574 1.00 0.00 C ATOM 1170 OG SER A 74 13.185 -6.842 -2.490 1.00 0.00 O ATOM 0 H SER A 74 9.752 -7.008 -4.521 1.00 0.00 H new ATOM 0 HA SER A 74 12.194 -8.682 -4.234 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.843 -6.346 -4.467 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.601 -5.826 -3.344 1.00 0.00 H new ATOM 0 HG SER A 74 13.686 -6.017 -2.320 1.00 0.00 H new ATOM 1176 N VAL A 75 11.591 -9.386 -1.884 1.00 0.00 N ATOM 1177 CA VAL A 75 11.079 -9.955 -0.637 1.00 0.00 C ATOM 1178 C VAL A 75 11.199 -8.976 0.521 1.00 0.00 C ATOM 1179 O VAL A 75 12.119 -8.161 0.582 1.00 0.00 O ATOM 1180 CB VAL A 75 11.815 -11.245 -0.270 1.00 0.00 C ATOM 1181 CG1 VAL A 75 11.344 -11.726 1.106 1.00 0.00 C ATOM 1182 CG2 VAL A 75 11.523 -12.331 -1.309 1.00 0.00 C ATOM 0 H VAL A 75 12.485 -9.767 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 75 10.025 -10.174 -0.809 1.00 0.00 H new ATOM 0 HB VAL A 75 12.887 -11.048 -0.248 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.868 -12.645 1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.558 -10.960 1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.271 -11.915 1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 75 12.052 -13.245 -1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.451 -12.527 -1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.858 -11.995 -2.290 1.00 0.00 H new ATOM 1192 N ILE A 76 10.250 -9.076 1.436 1.00 0.00 N ATOM 1193 CA ILE A 76 10.218 -8.213 2.605 1.00 0.00 C ATOM 1194 C ILE A 76 10.441 -9.026 3.880 1.00 0.00 C ATOM 1195 O ILE A 76 9.609 -9.856 4.249 1.00 0.00 O ATOM 1196 CB ILE A 76 8.856 -7.529 2.652 1.00 0.00 C ATOM 1197 CG1 ILE A 76 8.686 -6.673 1.397 1.00 0.00 C ATOM 1198 CG2 ILE A 76 8.752 -6.645 3.887 1.00 0.00 C ATOM 1199 CD1 ILE A 76 7.240 -6.191 1.301 1.00 0.00 C ATOM 0 H ILE A 76 9.487 -9.751 1.391 1.00 0.00 H new ATOM 0 HA ILE A 76 11.013 -7.471 2.539 1.00 0.00 H new ATOM 0 HB ILE A 76 8.074 -8.287 2.696 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.363 -5.820 1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 76 8.947 -7.252 0.511 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.775 -6.163 3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.875 -7.255 4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.532 -5.884 3.856 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.119 -5.581 0.406 1.00 0.00 H new ATOM 0 HD12 ILE A 76 6.573 -7.051 1.247 1.00 0.00 H new ATOM 0 HD13 ILE A 76 6.995 -5.597 2.181 1.00 0.00 H new ATOM 1211 N ASP A 77 11.564 -8.779 4.553 1.00 0.00 N ATOM 1212 CA ASP A 77 11.879 -9.497 5.788 1.00 0.00 C ATOM 1213 C ASP A 77 11.457 -8.680 7.005 1.00 0.00 C ATOM 1214 O ASP A 77 11.503 -9.165 8.136 1.00 0.00 O ATOM 1215 CB ASP A 77 13.386 -9.750 5.872 1.00 0.00 C ATOM 1216 CG ASP A 77 13.845 -10.628 4.714 1.00 0.00 C ATOM 1217 OD1 ASP A 77 13.014 -11.329 4.161 1.00 0.00 O ATOM 1218 OD2 ASP A 77 15.021 -10.583 4.395 1.00 0.00 O ATOM 0 H ASP A 77 12.265 -8.095 4.268 1.00 0.00 H new ATOM 0 HA ASP A 77 11.338 -10.443 5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.922 -8.801 5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.628 -10.232 6.819 1.00 0.00 H new ATOM 1223 N GLU A 78 11.073 -7.433 6.764 1.00 0.00 N ATOM 1224 CA GLU A 78 10.676 -6.541 7.843 1.00 0.00 C ATOM 1225 C GLU A 78 10.021 -5.285 7.263 1.00 0.00 C ATOM 1226 O GLU A 78 10.041 -5.082 6.050 1.00 0.00 O ATOM 1227 CB GLU A 78 11.923 -6.166 8.654 1.00 0.00 C ATOM 1228 CG GLU A 78 12.540 -4.881 8.092 1.00 0.00 C ATOM 1229 CD GLU A 78 13.939 -4.676 8.665 1.00 0.00 C ATOM 1230 OE1 GLU A 78 14.074 -4.727 9.877 1.00 0.00 O ATOM 1231 OE2 GLU A 78 14.854 -4.471 7.885 1.00 0.00 O ATOM 0 H GLU A 78 11.028 -7.018 5.833 1.00 0.00 H new ATOM 0 HA GLU A 78 9.954 -7.037 8.492 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.658 -6.025 9.702 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.651 -6.977 8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 78 12.589 -4.937 7.005 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.909 -4.027 8.339 1.00 0.00 H new ATOM 1238 N PRO A 79 9.451 -4.435 8.085 1.00 0.00 N ATOM 1239 CA PRO A 79 8.799 -3.183 7.590 1.00 0.00 C ATOM 1240 C PRO A 79 9.755 -2.358 6.730 1.00 0.00 C ATOM 1241 O PRO A 79 10.936 -2.233 7.054 1.00 0.00 O ATOM 1242 CB PRO A 79 8.438 -2.437 8.882 1.00 0.00 C ATOM 1243 CG PRO A 79 8.312 -3.502 9.915 1.00 0.00 C ATOM 1244 CD PRO A 79 9.351 -4.556 9.552 1.00 0.00 C ATOM 0 HA PRO A 79 7.936 -3.380 6.954 1.00 0.00 H new ATOM 0 HB2 PRO A 79 9.209 -1.715 9.150 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.507 -1.882 8.771 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.492 -3.102 10.913 1.00 0.00 H new ATOM 0 HG3 PRO A 79 7.308 -3.927 9.918 1.00 0.00 H new ATOM 0 HD2 PRO A 79 10.307 -4.364 10.039 1.00 0.00 H new ATOM 0 HD3 PRO A 79 9.035 -5.555 9.854 1.00 0.00 H new ATOM 1252 N VAL A 80 9.245 -1.793 5.633 1.00 0.00 N ATOM 1253 CA VAL A 80 10.089 -0.984 4.755 1.00 0.00 C ATOM 1254 C VAL A 80 9.344 0.256 4.284 1.00 0.00 C ATOM 1255 O VAL A 80 8.116 0.311 4.334 1.00 0.00 O ATOM 1256 CB VAL A 80 10.577 -1.798 3.546 1.00 0.00 C ATOM 1257 CG1 VAL A 80 11.597 -2.845 4.004 1.00 0.00 C ATOM 1258 CG2 VAL A 80 9.399 -2.514 2.878 1.00 0.00 C ATOM 0 H VAL A 80 8.273 -1.878 5.337 1.00 0.00 H new ATOM 0 HA VAL A 80 10.960 -0.673 5.331 1.00 0.00 H new ATOM 0 HB VAL A 80 11.039 -1.116 2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 80 11.940 -3.420 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 80 12.447 -2.346 4.469 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.131 -3.516 4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.759 -3.087 2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 80 8.929 -3.188 3.594 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.670 -1.778 2.540 1.00 0.00 H new ATOM 1268 N ARG A 81 10.098 1.251 3.833 1.00 0.00 N ATOM 1269 CA ARG A 81 9.502 2.493 3.362 1.00 0.00 C ATOM 1270 C ARG A 81 8.732 2.266 2.067 1.00 0.00 C ATOM 1271 O ARG A 81 9.235 1.640 1.134 1.00 0.00 O ATOM 1272 CB ARG A 81 10.598 3.537 3.140 1.00 0.00 C ATOM 1273 CG ARG A 81 9.971 4.870 2.727 1.00 0.00 C ATOM 1274 CD ARG A 81 11.075 5.893 2.450 1.00 0.00 C ATOM 1275 NE ARG A 81 11.721 6.288 3.698 1.00 0.00 N ATOM 1276 CZ ARG A 81 12.691 7.197 3.716 1.00 0.00 C ATOM 1277 NH1 ARG A 81 13.115 7.723 2.597 1.00 0.00 N ATOM 1278 NH2 ARG A 81 13.223 7.559 4.851 1.00 0.00 N ATOM 0 H ARG A 81 11.116 1.222 3.784 1.00 0.00 H new ATOM 0 HA ARG A 81 8.804 2.853 4.118 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.180 3.666 4.053 1.00 0.00 H new ATOM 0 HB3 ARG A 81 11.287 3.195 2.368 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.356 4.734 1.837 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.314 5.234 3.516 1.00 0.00 H new ATOM 0 HD2 ARG A 81 11.812 5.468 1.769 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.654 6.769 1.957 1.00 0.00 H new ATOM 0 HE ARG A 81 11.422 5.858 4.573 1.00 0.00 H new ATOM 0 HH11 ARG A 81 12.702 7.436 1.710 1.00 0.00 H new ATOM 0 HH12 ARG A 81 13.859 8.420 2.611 1.00 0.00 H new ATOM 0 HH21 ARG A 81 12.895 7.145 5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.967 8.256 4.866 1.00 0.00 H new ATOM 1292 N LEU A 82 7.508 2.776 2.017 1.00 0.00 N ATOM 1293 CA LEU A 82 6.680 2.622 0.839 1.00 0.00 C ATOM 1294 C LEU A 82 6.433 3.987 0.193 1.00 0.00 C ATOM 1295 O LEU A 82 5.911 4.904 0.825 1.00 0.00 O ATOM 1296 CB LEU A 82 5.375 1.918 1.257 1.00 0.00 C ATOM 1297 CG LEU A 82 4.310 2.043 0.178 1.00 0.00 C ATOM 1298 CD1 LEU A 82 4.776 1.329 -1.086 1.00 0.00 C ATOM 1299 CD2 LEU A 82 3.012 1.401 0.676 1.00 0.00 C ATOM 0 H LEU A 82 7.072 3.297 2.778 1.00 0.00 H new ATOM 0 HA LEU A 82 7.175 2.008 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 82 5.574 0.865 1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.007 2.352 2.187 1.00 0.00 H new ATOM 0 HG LEU A 82 4.138 3.096 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.012 1.420 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.703 1.781 -1.438 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.947 0.275 -0.867 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.245 1.488 -0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.188 0.348 0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.678 1.910 1.580 1.00 0.00 H new ATOM 1311 N LYS A 83 6.838 4.115 -1.070 1.00 0.00 N ATOM 1312 CA LYS A 83 6.682 5.374 -1.796 1.00 0.00 C ATOM 1313 C LYS A 83 5.548 5.285 -2.813 1.00 0.00 C ATOM 1314 O LYS A 83 4.906 4.244 -2.952 1.00 0.00 O ATOM 1315 CB LYS A 83 7.988 5.741 -2.514 1.00 0.00 C ATOM 1316 CG LYS A 83 8.296 4.725 -3.621 1.00 0.00 C ATOM 1317 CD LYS A 83 9.577 5.149 -4.347 1.00 0.00 C ATOM 1318 CE LYS A 83 9.901 4.154 -5.464 1.00 0.00 C ATOM 1319 NZ LYS A 83 11.130 4.601 -6.181 1.00 0.00 N ATOM 0 H LYS A 83 7.274 3.367 -1.609 1.00 0.00 H new ATOM 0 HA LYS A 83 6.438 6.149 -1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 83 7.906 6.740 -2.942 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.809 5.767 -1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.417 3.729 -3.195 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.465 4.672 -4.324 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.454 6.149 -4.764 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.406 5.198 -3.641 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.051 3.158 -5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.065 4.086 -6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.353 3.927 -6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.970 5.544 -6.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.925 4.645 -5.512 1.00 0.00 H new ATOM 1333 N HIS A 84 5.307 6.386 -3.520 1.00 0.00 N ATOM 1334 CA HIS A 84 4.248 6.421 -4.522 1.00 0.00 C ATOM 1335 C HIS A 84 4.679 5.719 -5.809 1.00 0.00 C ATOM 1336 O HIS A 84 5.819 5.857 -6.252 1.00 0.00 O ATOM 1337 CB HIS A 84 3.865 7.865 -4.844 1.00 0.00 C ATOM 1338 CG HIS A 84 3.036 7.873 -6.095 1.00 0.00 C ATOM 1339 ND1 HIS A 84 1.956 7.025 -6.263 1.00 0.00 N ATOM 1340 CD2 HIS A 84 3.120 8.608 -7.250 1.00 0.00 C ATOM 1341 CE1 HIS A 84 1.436 7.265 -7.480 1.00 0.00 C ATOM 1342 NE2 HIS A 84 2.109 8.223 -8.124 1.00 0.00 N ATOM 0 H HIS A 84 5.826 7.258 -3.419 1.00 0.00 H new ATOM 0 HA HIS A 84 3.387 5.897 -4.106 1.00 0.00 H new ATOM 0 HB2 HIS A 84 3.305 8.301 -4.017 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.760 8.473 -4.979 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.859 9.370 -7.450 1.00 0.00 H new ATOM 0 HE1 HIS A 84 0.580 6.747 -7.887 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.922 8.592 -9.056 1.00 0.00 H new ATOM 1351 N GLY A 85 3.749 4.980 -6.413 1.00 0.00 N ATOM 1352 CA GLY A 85 4.031 4.274 -7.662 1.00 0.00 C ATOM 1353 C GLY A 85 4.534 2.854 -7.413 1.00 0.00 C ATOM 1354 O GLY A 85 4.719 2.081 -8.352 1.00 0.00 O ATOM 0 H GLY A 85 2.800 4.855 -6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.127 4.237 -8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.777 4.828 -8.232 1.00 0.00 H new ATOM 1358 N ASP A 86 4.763 2.514 -6.150 1.00 0.00 N ATOM 1359 CA ASP A 86 5.253 1.181 -5.805 1.00 0.00 C ATOM 1360 C ASP A 86 4.116 0.162 -5.801 1.00 0.00 C ATOM 1361 O ASP A 86 2.952 0.511 -5.599 1.00 0.00 O ATOM 1362 CB ASP A 86 5.914 1.206 -4.429 1.00 0.00 C ATOM 1363 CG ASP A 86 6.561 -0.144 -4.128 1.00 0.00 C ATOM 1364 OD1 ASP A 86 6.583 -0.982 -5.012 1.00 0.00 O ATOM 1365 OD2 ASP A 86 7.033 -0.315 -3.016 1.00 0.00 O ATOM 0 H ASP A 86 4.620 3.135 -5.353 1.00 0.00 H new ATOM 0 HA ASP A 86 5.983 0.886 -6.559 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.667 1.994 -4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.172 1.440 -3.666 1.00 0.00 H new ATOM 1370 N VAL A 87 4.468 -1.103 -6.018 1.00 0.00 N ATOM 1371 CA VAL A 87 3.477 -2.174 -6.031 1.00 0.00 C ATOM 1372 C VAL A 87 3.786 -3.207 -4.949 1.00 0.00 C ATOM 1373 O VAL A 87 4.936 -3.610 -4.770 1.00 0.00 O ATOM 1374 CB VAL A 87 3.467 -2.865 -7.395 1.00 0.00 C ATOM 1375 CG1 VAL A 87 4.843 -3.476 -7.665 1.00 0.00 C ATOM 1376 CG2 VAL A 87 2.409 -3.973 -7.395 1.00 0.00 C ATOM 0 H VAL A 87 5.426 -1.410 -6.186 1.00 0.00 H new ATOM 0 HA VAL A 87 2.499 -1.733 -5.836 1.00 0.00 H new ATOM 0 HB VAL A 87 3.233 -2.137 -8.172 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.838 -3.969 -8.637 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.597 -2.689 -7.661 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.076 -4.206 -6.889 1.00 0.00 H new ATOM 0 HG21 VAL A 87 2.400 -4.467 -8.366 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.645 -4.702 -6.619 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.428 -3.540 -7.199 1.00 0.00 H new ATOM 1386 N ILE A 88 2.753 -3.630 -4.227 1.00 0.00 N ATOM 1387 CA ILE A 88 2.922 -4.615 -3.164 1.00 0.00 C ATOM 1388 C ILE A 88 2.328 -5.948 -3.586 1.00 0.00 C ATOM 1389 O ILE A 88 1.203 -6.010 -4.084 1.00 0.00 O ATOM 1390 CB ILE A 88 2.233 -4.146 -1.897 1.00 0.00 C ATOM 1391 CG1 ILE A 88 2.845 -2.824 -1.431 1.00 0.00 C ATOM 1392 CG2 ILE A 88 2.397 -5.198 -0.799 1.00 0.00 C ATOM 1393 CD1 ILE A 88 2.001 -2.254 -0.292 1.00 0.00 C ATOM 0 H ILE A 88 1.794 -3.308 -4.358 1.00 0.00 H new ATOM 0 HA ILE A 88 3.989 -4.734 -2.974 1.00 0.00 H new ATOM 0 HB ILE A 88 1.173 -4.000 -2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 88 3.870 -2.982 -1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 88 2.886 -2.116 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.900 -4.856 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.951 -6.137 -1.125 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.457 -5.351 -0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.433 -1.311 0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.984 -2.082 -0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.984 -2.961 0.537 1.00 0.00 H new ATOM 1405 N THR A 89 3.089 -7.007 -3.387 1.00 0.00 N ATOM 1406 CA THR A 89 2.633 -8.342 -3.755 1.00 0.00 C ATOM 1407 C THR A 89 2.669 -9.299 -2.572 1.00 0.00 C ATOM 1408 O THR A 89 3.684 -9.432 -1.889 1.00 0.00 O ATOM 1409 CB THR A 89 3.489 -8.896 -4.901 1.00 0.00 C ATOM 1410 OG1 THR A 89 3.040 -8.350 -6.133 1.00 0.00 O ATOM 1411 CG2 THR A 89 3.365 -10.420 -4.938 1.00 0.00 C ATOM 0 H THR A 89 4.022 -6.974 -2.975 1.00 0.00 H new ATOM 0 HA THR A 89 1.597 -8.256 -4.082 1.00 0.00 H new ATOM 0 HB THR A 89 4.532 -8.622 -4.743 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.587 -8.702 -6.866 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.973 -10.815 -5.752 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.711 -10.836 -3.992 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.323 -10.696 -5.096 1.00 0.00 H new ATOM 1419 N ILE A 90 1.548 -9.979 -2.355 1.00 0.00 N ATOM 1420 CA ILE A 90 1.442 -10.947 -1.276 1.00 0.00 C ATOM 1421 C ILE A 90 1.617 -12.353 -1.881 1.00 0.00 C ATOM 1422 O ILE A 90 2.311 -12.494 -2.887 1.00 0.00 O ATOM 1423 CB ILE A 90 0.094 -10.749 -0.545 1.00 0.00 C ATOM 1424 CG1 ILE A 90 0.068 -9.349 0.070 1.00 0.00 C ATOM 1425 CG2 ILE A 90 -0.065 -11.746 0.599 1.00 0.00 C ATOM 1426 CD1 ILE A 90 -1.343 -9.021 0.563 1.00 0.00 C ATOM 0 H ILE A 90 0.701 -9.876 -2.914 1.00 0.00 H new ATOM 0 HA ILE A 90 2.220 -10.812 -0.524 1.00 0.00 H new ATOM 0 HB ILE A 90 -0.707 -10.892 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.774 -9.294 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 90 0.385 -8.612 -0.668 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.022 -11.582 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -0.030 -12.761 0.204 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.743 -11.608 1.317 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.353 -8.022 1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -2.039 -9.058 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.644 -9.749 1.316 1.00 0.00 H new ATOM 1438 N ILE A 91 1.043 -13.390 -1.282 1.00 0.00 N ATOM 1439 CA ILE A 91 1.224 -14.741 -1.806 1.00 0.00 C ATOM 1440 C ILE A 91 0.642 -14.915 -3.216 1.00 0.00 C ATOM 1441 O ILE A 91 1.287 -15.517 -4.075 1.00 0.00 O ATOM 1442 CB ILE A 91 0.584 -15.755 -0.857 1.00 0.00 C ATOM 1443 CG1 ILE A 91 1.372 -15.783 0.457 1.00 0.00 C ATOM 1444 CG2 ILE A 91 0.616 -17.145 -1.493 1.00 0.00 C ATOM 1445 CD1 ILE A 91 0.632 -16.638 1.491 1.00 0.00 C ATOM 0 H ILE A 91 0.459 -13.326 -0.448 1.00 0.00 H new ATOM 0 HA ILE A 91 2.298 -14.914 -1.877 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.450 -15.469 -0.663 1.00 0.00 H new ATOM 0 HG12 ILE A 91 2.369 -16.188 0.284 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.501 -14.769 0.836 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.159 -17.866 -0.815 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.062 -17.128 -2.432 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.649 -17.433 -1.686 1.00 0.00 H new ATOM 0 HD11 ILE A 91 1.198 -16.653 2.422 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -0.356 -16.215 1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.527 -17.655 1.114 1.00 0.00 H new ATOM 1457 N ASP A 92 -0.568 -14.407 -3.462 1.00 0.00 N ATOM 1458 CA ASP A 92 -1.171 -14.566 -4.793 1.00 0.00 C ATOM 1459 C ASP A 92 -1.889 -13.302 -5.272 1.00 0.00 C ATOM 1460 O ASP A 92 -2.480 -13.303 -6.353 1.00 0.00 O ATOM 1461 CB ASP A 92 -2.172 -15.727 -4.781 1.00 0.00 C ATOM 1462 CG ASP A 92 -1.437 -17.058 -4.659 1.00 0.00 C ATOM 1463 OD1 ASP A 92 -0.235 -17.070 -4.861 1.00 0.00 O ATOM 1464 OD2 ASP A 92 -2.089 -18.047 -4.364 1.00 0.00 O ATOM 0 H ASP A 92 -1.136 -13.898 -2.785 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.352 -14.769 -5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -2.866 -15.609 -3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -2.766 -15.714 -5.695 1.00 0.00 H new ATOM 1469 N ARG A 93 -1.854 -12.233 -4.482 1.00 0.00 N ATOM 1470 CA ARG A 93 -2.530 -10.997 -4.876 1.00 0.00 C ATOM 1471 C ARG A 93 -1.575 -9.810 -4.846 1.00 0.00 C ATOM 1472 O ARG A 93 -0.542 -9.845 -4.176 1.00 0.00 O ATOM 1473 CB ARG A 93 -3.713 -10.727 -3.948 1.00 0.00 C ATOM 1474 CG ARG A 93 -4.773 -11.810 -4.149 1.00 0.00 C ATOM 1475 CD ARG A 93 -5.941 -11.550 -3.206 1.00 0.00 C ATOM 1476 NE ARG A 93 -6.941 -12.603 -3.343 1.00 0.00 N ATOM 1477 CZ ARG A 93 -8.147 -12.489 -2.795 1.00 0.00 C ATOM 1478 NH1 ARG A 93 -8.466 -11.414 -2.127 1.00 0.00 N ATOM 1479 NH2 ARG A 93 -9.014 -13.457 -2.925 1.00 0.00 N ATOM 0 H ARG A 93 -1.375 -12.194 -3.582 1.00 0.00 H new ATOM 0 HA ARG A 93 -2.888 -11.123 -5.898 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -3.380 -10.716 -2.910 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -4.137 -9.745 -4.157 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -5.118 -11.810 -5.183 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -4.346 -12.794 -3.955 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -5.585 -11.508 -2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -6.389 -10.581 -3.428 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.710 -13.445 -3.871 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.789 -10.658 -2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -9.392 -11.330 -1.708 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -8.765 -14.298 -3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.940 -13.372 -2.506 1.00 0.00 H new ATOM 1493 N SER A 94 -1.922 -8.759 -5.588 1.00 0.00 N ATOM 1494 CA SER A 94 -1.078 -7.573 -5.646 1.00 0.00 C ATOM 1495 C SER A 94 -1.869 -6.307 -5.348 1.00 0.00 C ATOM 1496 O SER A 94 -3.027 -6.172 -5.745 1.00 0.00 O ATOM 1497 CB SER A 94 -0.440 -7.455 -7.026 1.00 0.00 C ATOM 1498 OG SER A 94 0.439 -6.337 -7.039 1.00 0.00 O ATOM 0 H SER A 94 -2.772 -8.707 -6.150 1.00 0.00 H new ATOM 0 HA SER A 94 -0.305 -7.681 -4.885 1.00 0.00 H new ATOM 0 HB2 SER A 94 0.107 -8.366 -7.266 1.00 0.00 H new ATOM 0 HB3 SER A 94 -1.211 -7.336 -7.788 1.00 0.00 H new ATOM 0 HG SER A 94 0.742 -6.148 -6.126 1.00 0.00 H new ATOM 1504 N PHE A 95 -1.224 -5.380 -4.648 1.00 0.00 N ATOM 1505 CA PHE A 95 -1.858 -4.115 -4.299 1.00 0.00 C ATOM 1506 C PHE A 95 -0.972 -2.950 -4.700 1.00 0.00 C ATOM 1507 O PHE A 95 0.253 -3.029 -4.612 1.00 0.00 O ATOM 1508 CB PHE A 95 -2.121 -4.063 -2.798 1.00 0.00 C ATOM 1509 CG PHE A 95 -3.200 -5.051 -2.460 1.00 0.00 C ATOM 1510 CD1 PHE A 95 -2.895 -6.413 -2.375 1.00 0.00 C ATOM 1511 CD2 PHE A 95 -4.499 -4.606 -2.208 1.00 0.00 C ATOM 1512 CE1 PHE A 95 -3.892 -7.332 -2.040 1.00 0.00 C ATOM 1513 CE2 PHE A 95 -5.500 -5.522 -1.876 1.00 0.00 C ATOM 1514 CZ PHE A 95 -5.199 -6.887 -1.790 1.00 0.00 C ATOM 0 H PHE A 95 -0.266 -5.481 -4.312 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.804 -4.041 -4.836 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.210 -4.296 -2.247 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.424 -3.058 -2.503 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -1.889 -6.754 -2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -4.730 -3.553 -2.270 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.657 -8.384 -1.973 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.506 -5.178 -1.686 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.972 -7.596 -1.532 1.00 0.00 H new ATOM 1524 N ARG A 96 -1.593 -1.871 -5.147 1.00 0.00 N ATOM 1525 CA ARG A 96 -0.844 -0.706 -5.570 1.00 0.00 C ATOM 1526 C ARG A 96 -1.238 0.509 -4.734 1.00 0.00 C ATOM 1527 O ARG A 96 -2.410 0.698 -4.412 1.00 0.00 O ATOM 1528 CB ARG A 96 -1.148 -0.445 -7.038 1.00 0.00 C ATOM 1529 CG ARG A 96 -0.708 -1.654 -7.864 1.00 0.00 C ATOM 1530 CD ARG A 96 -1.186 -1.491 -9.306 1.00 0.00 C ATOM 1531 NE ARG A 96 -0.572 -0.315 -9.916 1.00 0.00 N ATOM 1532 CZ ARG A 96 -0.932 0.101 -11.126 1.00 0.00 C ATOM 1533 NH1 ARG A 96 -1.838 -0.553 -11.798 1.00 0.00 N ATOM 1534 NH2 ARG A 96 -0.375 1.164 -11.648 1.00 0.00 N ATOM 0 H ARG A 96 -2.606 -1.780 -5.225 1.00 0.00 H new ATOM 0 HA ARG A 96 0.223 -0.884 -5.433 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.214 -0.264 -7.175 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -0.627 0.451 -7.376 1.00 0.00 H new ATOM 0 HG2 ARG A 96 0.378 -1.749 -7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -1.118 -2.569 -7.436 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.934 -2.381 -9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -2.272 -1.395 -9.327 1.00 0.00 H new ATOM 0 HE ARG A 96 0.147 0.197 -9.404 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.271 -1.384 -11.395 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.114 -0.233 -12.726 1.00 0.00 H new ATOM 0 HH21 ARG A 96 0.337 1.675 -11.126 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -0.653 1.481 -12.577 1.00 0.00 H new ATOM 1548 N TYR A 97 -0.249 1.329 -4.396 1.00 0.00 N ATOM 1549 CA TYR A 97 -0.492 2.535 -3.609 1.00 0.00 C ATOM 1550 C TYR A 97 -0.171 3.755 -4.458 1.00 0.00 C ATOM 1551 O TYR A 97 0.989 3.996 -4.787 1.00 0.00 O ATOM 1552 CB TYR A 97 0.387 2.514 -2.348 1.00 0.00 C ATOM 1553 CG TYR A 97 0.671 3.925 -1.879 1.00 0.00 C ATOM 1554 CD1 TYR A 97 -0.375 4.842 -1.741 1.00 0.00 C ATOM 1555 CD2 TYR A 97 1.988 4.317 -1.592 1.00 0.00 C ATOM 1556 CE1 TYR A 97 -0.107 6.150 -1.313 1.00 0.00 C ATOM 1557 CE2 TYR A 97 2.256 5.620 -1.168 1.00 0.00 C ATOM 1558 CZ TYR A 97 1.210 6.539 -1.029 1.00 0.00 C ATOM 1559 OH TYR A 97 1.477 7.827 -0.613 1.00 0.00 O ATOM 0 H TYR A 97 0.727 1.182 -4.653 1.00 0.00 H new ATOM 0 HA TYR A 97 -1.538 2.576 -3.304 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.114 1.955 -1.557 1.00 0.00 H new ATOM 0 HB3 TYR A 97 1.324 1.998 -2.559 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.389 4.543 -1.964 1.00 0.00 H new ATOM 0 HD2 TYR A 97 2.796 3.609 -1.699 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.915 6.858 -1.202 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.270 5.918 -0.947 1.00 0.00 H new ATOM 0 HH TYR A 97 2.439 7.928 -0.459 1.00 0.00 H new ATOM 1569 N GLU A 98 -1.202 4.512 -4.832 1.00 0.00 N ATOM 1570 CA GLU A 98 -0.985 5.688 -5.671 1.00 0.00 C ATOM 1571 C GLU A 98 -1.382 6.975 -4.962 1.00 0.00 C ATOM 1572 O GLU A 98 -2.519 7.130 -4.515 1.00 0.00 O ATOM 1573 CB GLU A 98 -1.782 5.568 -6.973 1.00 0.00 C ATOM 1574 CG GLU A 98 -1.212 4.438 -7.831 1.00 0.00 C ATOM 1575 CD GLU A 98 -2.065 4.252 -9.081 1.00 0.00 C ATOM 1576 OE1 GLU A 98 -2.955 5.057 -9.290 1.00 0.00 O ATOM 1577 OE2 GLU A 98 -1.819 3.303 -9.807 1.00 0.00 O ATOM 0 H GLU A 98 -2.173 4.338 -4.574 1.00 0.00 H new ATOM 0 HA GLU A 98 0.082 5.731 -5.889 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.831 5.373 -6.751 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.742 6.509 -7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -0.184 4.667 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.186 3.512 -7.257 1.00 0.00 H new ATOM 1584 N ASN A 99 -0.442 7.912 -4.897 1.00 0.00 N ATOM 1585 CA ASN A 99 -0.703 9.205 -4.280 1.00 0.00 C ATOM 1586 C ASN A 99 -0.445 10.311 -5.296 1.00 0.00 C ATOM 1587 O ASN A 99 0.669 10.824 -5.400 1.00 0.00 O ATOM 1588 CB ASN A 99 0.195 9.413 -3.057 1.00 0.00 C ATOM 1589 CG ASN A 99 0.014 10.827 -2.517 1.00 0.00 C ATOM 1590 OD1 ASN A 99 -0.869 11.558 -2.968 1.00 0.00 O ATOM 1591 ND2 ASN A 99 0.808 11.259 -1.576 1.00 0.00 N ATOM 0 H ASN A 99 0.504 7.800 -5.263 1.00 0.00 H new ATOM 0 HA ASN A 99 -1.743 9.234 -3.955 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.053 8.685 -2.285 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.238 9.248 -3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.699 12.205 -1.211 1.00 0.00 H new ATOM 0 HD22 ASN A 99 1.538 10.650 -1.205 1.00 0.00 H new ATOM 1598 N GLU A 100 -1.476 10.656 -6.056 1.00 0.00 N ATOM 1599 CA GLU A 100 -1.349 11.686 -7.081 1.00 0.00 C ATOM 1600 C GLU A 100 -2.047 12.981 -6.673 1.00 0.00 C ATOM 1601 O GLU A 100 -3.171 12.961 -6.174 1.00 0.00 O ATOM 1602 CB GLU A 100 -1.964 11.187 -8.390 1.00 0.00 C ATOM 1603 CG GLU A 100 -1.125 10.045 -8.971 1.00 0.00 C ATOM 1604 CD GLU A 100 0.242 10.562 -9.404 1.00 0.00 C ATOM 1605 OE1 GLU A 100 0.419 11.769 -9.419 1.00 0.00 O ATOM 1606 OE2 GLU A 100 1.089 9.746 -9.727 1.00 0.00 O ATOM 0 H GLU A 100 -2.405 10.241 -5.984 1.00 0.00 H new ATOM 0 HA GLU A 100 -0.286 11.893 -7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -2.984 10.845 -8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -2.023 12.006 -9.107 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.005 9.258 -8.227 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.641 9.602 -9.823 1.00 0.00 H new TER 1613 GLU A 100